smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873149954 1126117623 /nfs/dbraw/zinc/11/76/23/1126117623.db2.gz HDHORPMVNNWGOX-LJQANCHMSA-N 1 0 344.411 2.995 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931602495 1126136261 /nfs/dbraw/zinc/13/62/61/1126136261.db2.gz FKZQLCSLPAHCPQ-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001575069785 1088225801 /nfs/dbraw/zinc/22/58/01/1088225801.db2.gz NCYZGGZVUREXLI-SUMWQHHRSA-N 1 0 339.395 2.529 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc([N+](=O)[O-])cc1F ZINC001575099484 1088241589 /nfs/dbraw/zinc/24/15/89/1088241589.db2.gz KMPMGTYSOURRCK-GOSISDBHSA-N 1 0 349.406 2.756 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575108272 1088247074 /nfs/dbraw/zinc/24/70/74/1088247074.db2.gz NZTFPAILUWPRGV-AWEZNQCLSA-N 1 0 342.399 2.760 20 5 EFBDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001575112679 1088249357 /nfs/dbraw/zinc/24/93/57/1088249357.db2.gz IPXDYJDNIRTCDC-CYBMUJFWSA-N 1 0 327.812 2.670 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001575798760 1088697239 /nfs/dbraw/zinc/69/72/39/1088697239.db2.gz KOLKBSIOAYNDGK-SFHVURJKSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001576023621 1088859645 /nfs/dbraw/zinc/85/96/45/1088859645.db2.gz QNXSYRDQQDMMSI-UONOGXRCSA-N 1 0 348.447 2.776 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576382711 1089167503 /nfs/dbraw/zinc/16/75/03/1089167503.db2.gz CMYYSVQUEIAKHS-LYRGGWFBSA-N 1 0 342.399 2.583 20 5 EFBDRO CC1(C)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576382706 1089167592 /nfs/dbraw/zinc/16/75/92/1089167592.db2.gz CMYYSVQUEIAKHS-HFBAOOFYSA-N 1 0 342.399 2.583 20 5 EFBDRO CC1(C)CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH2+]C1 ZINC001576421115 1089215532 /nfs/dbraw/zinc/21/55/32/1089215532.db2.gz GGWMGWISXBROBO-LLVKDONJSA-N 1 0 325.796 2.756 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001576480279 1089285445 /nfs/dbraw/zinc/28/54/45/1089285445.db2.gz JVDKJSMUVSWMGT-LLVKDONJSA-N 1 0 329.759 2.505 20 5 EFBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576681589 1089392410 /nfs/dbraw/zinc/39/24/10/1089392410.db2.gz JVMAYNUIGXQAMR-BONVTDFDSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC001576698692 1089401011 /nfs/dbraw/zinc/40/10/11/1089401011.db2.gz PBYIZIMDNSUDCB-SMDDNHRTSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC001576700033 1089403212 /nfs/dbraw/zinc/40/32/12/1089403212.db2.gz MCMLOGOOJRXDGH-SJWGOKEGSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC001576700035 1089403319 /nfs/dbraw/zinc/40/33/19/1089403319.db2.gz MCMLOGOOJRXDGH-VJUNAUMWSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[C@@H]1[NH3+] ZINC001576782075 1089456879 /nfs/dbraw/zinc/45/68/79/1089456879.db2.gz DFNBPQXMVMKPJI-FZMZJTMJSA-N 1 0 328.372 2.949 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001576883065 1089504594 /nfs/dbraw/zinc/50/45/94/1089504594.db2.gz SNSSNNBSJPQILS-OUAUKWLOSA-N 1 0 342.237 2.928 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001577096534 1089652575 /nfs/dbraw/zinc/65/25/75/1089652575.db2.gz PWEDWRXSLTVBAT-BMFZPTHFSA-N 1 0 333.432 2.607 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001577096537 1089652924 /nfs/dbraw/zinc/65/29/24/1089652924.db2.gz PWEDWRXSLTVBAT-NUEKZKHPSA-N 1 0 333.432 2.607 20 5 EFBDRO CC[C@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC001577198596 1089737484 /nfs/dbraw/zinc/73/74/84/1089737484.db2.gz QDISGNLEDYOGDQ-AWEZNQCLSA-N 1 0 345.321 2.620 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001577385648 1089899942 /nfs/dbraw/zinc/89/99/42/1089899942.db2.gz OIZYKVVXIYVLRY-SECBINFHSA-N 1 0 348.266 2.993 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001577597000 1090071526 /nfs/dbraw/zinc/07/15/26/1090071526.db2.gz ORZHGKXYLGAAPR-RYUDHWBXSA-N 1 0 337.445 2.967 20 5 EFBDRO CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001577643546 1090099222 /nfs/dbraw/zinc/09/92/22/1090099222.db2.gz ILBRNNYAECZHGO-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CC[NH2+]C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001577821529 1090195956 /nfs/dbraw/zinc/19/59/56/1090195956.db2.gz TWNTZCHNHAZAEZ-UHFFFAOYSA-N 1 0 328.210 2.936 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001577834099 1090197544 /nfs/dbraw/zinc/19/75/44/1090197544.db2.gz LNRPGRHNCNYWBW-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO CC[NH2+]CC1CCN(c2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC001577837668 1090198124 /nfs/dbraw/zinc/19/81/24/1090198124.db2.gz PJTBXMYIBFXJTH-UHFFFAOYSA-N 1 0 349.431 2.906 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CC2CC[NH2+]CC2)cc1C ZINC001578056218 1090239120 /nfs/dbraw/zinc/23/91/20/1090239120.db2.gz FXBRZGBXWPWBEJ-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001578171815 1090288440 /nfs/dbraw/zinc/28/84/40/1090288440.db2.gz WPKILYXPUSBMES-KDOFPFPSSA-N 1 0 347.415 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1cnn(C2CC[NH2+]CC2)c1 ZINC001578189439 1090298465 /nfs/dbraw/zinc/29/84/65/1090298465.db2.gz IGTYPSAJNOGMNY-UHFFFAOYSA-N 1 0 345.403 2.727 20 5 EFBDRO CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC001578389582 1090359570 /nfs/dbraw/zinc/35/95/70/1090359570.db2.gz UGHLOAPTQKTAQV-UHFFFAOYSA-N 1 0 332.187 2.855 20 5 EFBDRO CN(CCCCCC[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001578464798 1090378774 /nfs/dbraw/zinc/37/87/74/1090378774.db2.gz ANUFHWQNLNXUOY-UHFFFAOYSA-N 1 0 342.827 2.909 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC001578478861 1090382653 /nfs/dbraw/zinc/38/26/53/1090382653.db2.gz WNRDFUOEROSHPE-IAGOWNOFSA-N 1 0 333.432 2.893 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC001578478862 1090382698 /nfs/dbraw/zinc/38/26/98/1090382698.db2.gz WNRDFUOEROSHPE-IRXDYDNUSA-N 1 0 333.432 2.893 20 5 EFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH3+])C1CCC1 ZINC001578508455 1090389359 /nfs/dbraw/zinc/38/93/59/1090389359.db2.gz HSLOGIHNYBXKBC-UHFFFAOYSA-N 1 0 344.419 2.581 20 5 EFBDRO C[NH2+]C[C@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC001578623556 1090411336 /nfs/dbraw/zinc/41/13/36/1090411336.db2.gz WMYGFUJICVQLSS-JTQLQIEISA-N 1 0 334.401 2.821 20 5 EFBDRO C[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001578687018 1090420075 /nfs/dbraw/zinc/42/00/75/1090420075.db2.gz WTZRZGKGGNJAMV-UHFFFAOYSA-N 1 0 334.298 2.653 20 5 EFBDRO COc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193936 1090542342 /nfs/dbraw/zinc/54/23/42/1090542342.db2.gz YDIWXZDLYCGSGA-KPZWWZAWSA-N 1 0 343.383 2.655 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579229279 1090552411 /nfs/dbraw/zinc/55/24/11/1090552411.db2.gz SUSXTTBBKSSOAI-BYCMXARLSA-N 1 0 348.403 2.502 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579229281 1090552561 /nfs/dbraw/zinc/55/25/61/1090552561.db2.gz SUSXTTBBKSSOAI-NILFDRSVSA-N 1 0 348.403 2.502 20 5 EFBDRO CSc1cccc(C(=O)N2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC001579392911 1090604381 /nfs/dbraw/zinc/60/43/81/1090604381.db2.gz GCURKTXADUBXIO-YVEFUNNKSA-N 1 0 349.456 2.908 20 5 EFBDRO C[C@@H]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC001579426935 1090610611 /nfs/dbraw/zinc/61/06/11/1090610611.db2.gz RBLBHPYRCWPWPS-KOLCDFICSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC001579437871 1090612629 /nfs/dbraw/zinc/61/26/29/1090612629.db2.gz BHHKRNQAAAPSTI-NXEZZACHSA-N 1 0 345.321 2.671 20 5 EFBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001579476132 1090620015 /nfs/dbraw/zinc/62/00/15/1090620015.db2.gz QJUYELNICZNFJH-LLVKDONJSA-N 1 0 331.397 2.823 20 5 EFBDRO Cc1c(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001579542028 1090629960 /nfs/dbraw/zinc/62/99/60/1090629960.db2.gz LTSYRKIHKAZXKG-HNNXBMFYSA-N 1 0 342.399 2.985 20 5 EFBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001579557070 1090633108 /nfs/dbraw/zinc/63/31/08/1090633108.db2.gz UNUXIVUELYSQEP-OAHLLOKOSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001579604844 1090640962 /nfs/dbraw/zinc/64/09/62/1090640962.db2.gz ADWFTICJIHLPPI-VHSXEESVSA-N 1 0 326.784 2.758 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC001579605460 1090641039 /nfs/dbraw/zinc/64/10/39/1090641039.db2.gz SDBGTIUKHASHEQ-UHFFFAOYSA-N 1 0 326.784 2.772 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnc([C@H]2CCC[NH2+]2)n1 ZINC001579609103 1090642559 /nfs/dbraw/zinc/64/25/59/1090642559.db2.gz ZNCSSLAGSPMANO-GFCCVEGCSA-N 1 0 345.334 2.509 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001579642476 1090649960 /nfs/dbraw/zinc/64/99/60/1090649960.db2.gz HYXPSNICXPQIGZ-RISCZKNCSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579733736 1090673612 /nfs/dbraw/zinc/67/36/12/1090673612.db2.gz AHFSRYZAOKICAO-CXAGYDPISA-N 1 0 332.404 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1C ZINC001579734486 1090674355 /nfs/dbraw/zinc/67/43/55/1090674355.db2.gz GRTTWUSIGFDJBF-CYBMUJFWSA-N 1 0 340.383 2.675 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC001579734868 1090674406 /nfs/dbraw/zinc/67/44/06/1090674406.db2.gz QCMQBWSNGAUFPY-GFCCVEGCSA-N 1 0 343.358 2.820 20 5 EFBDRO Cc1cccc(C(=O)N2CCCc3cccc(C[NH3+])c32)c1[N+](=O)[O-] ZINC001579750730 1090678196 /nfs/dbraw/zinc/67/81/96/1090678196.db2.gz XTPULBXUPBXRKW-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001579792814 1090688371 /nfs/dbraw/zinc/68/83/71/1090688371.db2.gz CFEZUXNUAFYZCF-MRXNPFEDSA-N 1 0 347.802 2.915 20 5 EFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCCC[NH3+] ZINC001579902965 1090717977 /nfs/dbraw/zinc/71/79/77/1090717977.db2.gz MNSBTFRMHZPAJA-UHFFFAOYSA-N 1 0 346.435 2.649 20 5 EFBDRO Cc1sc(NC(=O)C2(C)C[NH2+]C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579934605 1090726939 /nfs/dbraw/zinc/72/69/39/1090726939.db2.gz XACYHZYXAGUEJO-UHFFFAOYSA-N 1 0 332.385 2.575 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1=O ZINC001579948143 1090731149 /nfs/dbraw/zinc/73/11/49/1090731149.db2.gz RKXSPVLIOLYJHX-AWEZNQCLSA-N 1 0 344.415 2.766 20 5 EFBDRO [NH3+][C@H](CC1CC1)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001580122252 1090780380 /nfs/dbraw/zinc/78/03/80/1090780380.db2.gz QCTNNOGTVLEZCM-SKDRFNHKSA-N 1 0 349.284 2.581 20 5 EFBDRO [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580133971 1090785610 /nfs/dbraw/zinc/78/56/10/1090785610.db2.gz DZJYJLCBDFCAIZ-CQSZACIVSA-N 1 0 342.330 2.724 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001580157021 1090792621 /nfs/dbraw/zinc/79/26/21/1090792621.db2.gz CVPXBBBZDVAZKC-CLAHSXSESA-N 1 0 344.198 2.855 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001580206035 1090809322 /nfs/dbraw/zinc/80/93/22/1090809322.db2.gz BNCBOPIKOMKPAF-GFCCVEGCSA-N 1 0 331.759 2.778 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC001580206906 1090810655 /nfs/dbraw/zinc/81/06/55/1090810655.db2.gz NWKGWEMZKPPBJY-JOYOIKCWSA-N 1 0 339.264 2.585 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001580207481 1090810755 /nfs/dbraw/zinc/81/07/55/1090810755.db2.gz UWPBBCMOZYYNAJ-CYBMUJFWSA-N 1 0 343.408 2.604 20 5 EFBDRO [NH3+]C[C@]12CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001580252497 1090833527 /nfs/dbraw/zinc/83/35/27/1090833527.db2.gz BIMUAAQTARYUMY-BDJLRTHQSA-N 1 0 337.807 2.839 20 5 EFBDRO [NH3+]C[C@@]12CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]1CCCC2 ZINC001580256616 1090836692 /nfs/dbraw/zinc/83/66/92/1090836692.db2.gz WOCLAUZEMAIASL-YGRLFVJLSA-N 1 0 344.337 2.964 20 5 EFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001580334843 1090866318 /nfs/dbraw/zinc/86/63/18/1090866318.db2.gz XWYHWFDQPGZSCV-XFHMXUHZSA-N 1 0 342.355 2.974 20 5 EFBDRO Nc1c(C(=O)Nc2ccc(C[NH3+])cc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001580340060 1090869289 /nfs/dbraw/zinc/86/92/89/1090869289.db2.gz LRNZQQLHVQDBBT-UHFFFAOYSA-N 1 0 338.726 2.681 20 5 EFBDRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580481215 1090914264 /nfs/dbraw/zinc/91/42/64/1090914264.db2.gz HATGNFKEOLVJMT-SZMVWBNQSA-N 1 0 343.427 2.831 20 5 EFBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580481214 1090914423 /nfs/dbraw/zinc/91/44/23/1090914423.db2.gz HATGNFKEOLVJMT-NXHRZFHOSA-N 1 0 343.427 2.831 20 5 EFBDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001580523019 1090930972 /nfs/dbraw/zinc/93/09/72/1090930972.db2.gz OLYWWIXPRMWFKD-AWEZNQCLSA-N 1 0 341.342 2.858 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001580527651 1090934196 /nfs/dbraw/zinc/93/41/96/1090934196.db2.gz DARGORBLJBTWPA-GFCCVEGCSA-N 1 0 328.372 2.861 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580676031 1090983546 /nfs/dbraw/zinc/98/35/46/1090983546.db2.gz BDIWFCRNAZOYBL-UHFFFAOYSA-N 1 0 345.321 2.733 20 5 EFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001580720401 1090992423 /nfs/dbraw/zinc/99/24/23/1090992423.db2.gz UFSHIHGCUUTQAH-UHFFFAOYSA-N 1 0 345.786 2.824 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001580742485 1090995440 /nfs/dbraw/zinc/99/54/40/1090995440.db2.gz XUORZVGDBAFTSI-ZCFIWIBFSA-N 1 0 336.150 2.523 20 5 EFBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580773671 1091003669 /nfs/dbraw/zinc/00/36/69/1091003669.db2.gz CLHKTFQRLFVPQI-CQSZACIVSA-N 1 0 340.383 2.861 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001580821566 1091021086 /nfs/dbraw/zinc/02/10/86/1091021086.db2.gz YWBIIVOYLAAJQJ-CHWSQXEVSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CN(Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC001580875738 1091031435 /nfs/dbraw/zinc/03/14/35/1091031435.db2.gz POECGBMFLDXGEB-UHFFFAOYSA-N 1 0 345.424 2.565 20 5 EFBDRO CC(C)[NH+](CCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(C)C ZINC001589696419 1093126838 /nfs/dbraw/zinc/12/68/38/1093126838.db2.gz DCTZZFFZZNTFTL-UHFFFAOYSA-N 1 0 347.423 2.696 20 5 EFBDRO CC1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590096715 1093266873 /nfs/dbraw/zinc/26/68/73/1093266873.db2.gz JYHIYTUKQGCDQY-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590272556 1093354788 /nfs/dbraw/zinc/35/47/88/1093354788.db2.gz QMRBBYCDBVTBLG-LBPRGKRZSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001590307014 1093367577 /nfs/dbraw/zinc/36/75/77/1093367577.db2.gz DAZBMFOTEXHUNL-LALPHHSUSA-N 1 0 342.403 2.785 20 5 EFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590510186 1093466256 /nfs/dbraw/zinc/46/62/56/1093466256.db2.gz FNNRTRHLHASGDR-RISCZKNCSA-N 1 0 330.392 2.833 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590622412 1093520095 /nfs/dbraw/zinc/52/00/95/1093520095.db2.gz WZTQKBSKIRBULZ-LBPRGKRZSA-N 1 0 347.423 2.616 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)s1 ZINC001591122598 1093665290 /nfs/dbraw/zinc/66/52/90/1093665290.db2.gz XPBAUWBNOGKJGC-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO Cc1cc(NC[C@H]2COC3(CCCC3)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782965191 1094605784 /nfs/dbraw/zinc/60/57/84/1094605784.db2.gz GZQUHBHSRRIJAM-AWEZNQCLSA-N 1 0 343.383 2.971 20 5 EFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218423676 1094639006 /nfs/dbraw/zinc/63/90/06/1094639006.db2.gz LVXYZENGAVPDQC-XVKPBYJWSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218449077 1094787462 /nfs/dbraw/zinc/78/74/62/1094787462.db2.gz QPWJJSCLZLPZOQ-AKGNYGMASA-N 1 0 331.141 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217944527 1095055239 /nfs/dbraw/zinc/05/52/39/1095055239.db2.gz FGBQGNOLTCPIOX-KOLCDFICSA-N 1 0 333.157 2.826 20 5 EFBDRO N=C(Nc1c(Br)cc(F)cc1[N+](=O)[O-])SCC[NH3+] ZINC001167914298 1095060151 /nfs/dbraw/zinc/06/01/51/1095060151.db2.gz JQMLQWDKHFAIKT-UHFFFAOYSA-N 1 0 337.174 2.535 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1Br ZINC001218119143 1095631612 /nfs/dbraw/zinc/63/16/12/1095631612.db2.gz QXYIOFNCBMYJPQ-QWHCGFSZSA-N 1 0 327.178 2.878 20 5 EFBDRO [NH3+]Cc1nn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001167695135 1095777208 /nfs/dbraw/zinc/77/72/08/1095777208.db2.gz CXGARAJPAFAXPQ-UHFFFAOYSA-N 1 0 344.762 2.713 20 5 EFBDRO Cc1c(-n2nc(C[NH3+])c3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167697566 1095983871 /nfs/dbraw/zinc/98/38/71/1095983871.db2.gz GGJSLXAMYVXNHA-UHFFFAOYSA-N 1 0 327.300 2.609 20 5 EFBDRO CCOC(=O)c1ccc(-n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001167698197 1095997385 /nfs/dbraw/zinc/99/73/85/1095997385.db2.gz PRYFAKUOWKGWNH-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001604319283 1096805022 /nfs/dbraw/zinc/80/50/22/1096805022.db2.gz FANWNKYVTAQDIK-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605660969 1097182228 /nfs/dbraw/zinc/18/22/28/1097182228.db2.gz KGPZZRNVGMHERX-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609074617 1098132841 /nfs/dbraw/zinc/13/28/41/1098132841.db2.gz VHBHGYYGHFYHJS-AWEZNQCLSA-N 1 0 330.392 2.785 20 5 EFBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609090704 1098139584 /nfs/dbraw/zinc/13/95/84/1098139584.db2.gz CIISHWRDCKZVOV-AWEZNQCLSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609162712 1098175635 /nfs/dbraw/zinc/17/56/35/1098175635.db2.gz IJSQQQNKDFWBKZ-VXGBXAGGSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609163423 1098178354 /nfs/dbraw/zinc/17/83/54/1098178354.db2.gz ZMZCRPLMLLXJFA-BXUZGUMPSA-N 1 0 330.392 2.785 20 5 EFBDRO CCC1(CC)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001609197055 1098194981 /nfs/dbraw/zinc/19/49/81/1098194981.db2.gz NMAQUGFUYMSYPG-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609223212 1098211871 /nfs/dbraw/zinc/21/18/71/1098211871.db2.gz ZFZNBDNOLXSZRY-GFCCVEGCSA-N 1 0 347.423 2.697 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001609603533 1098396250 /nfs/dbraw/zinc/39/62/50/1098396250.db2.gz KZQRZFQTVVDZPW-OAHLLOKOSA-N 1 0 336.355 2.552 20 5 EFBDRO COc1cccc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001167985255 1099505551 /nfs/dbraw/zinc/50/55/51/1099505551.db2.gz CPQFNECTFOOBLF-UHFFFAOYSA-N 1 0 327.340 2.754 20 5 EFBDRO COc1cc(Br)c(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001226279209 1099597162 /nfs/dbraw/zinc/59/71/62/1099597162.db2.gz GSJBKPHAWKSAAZ-VIFPVBQESA-N 1 0 348.217 2.839 20 5 EFBDRO Cn1ccnc1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596703 1100200883 /nfs/dbraw/zinc/20/08/83/1100200883.db2.gz JBMNZWNJEZSIBJ-UHFFFAOYSA-N 1 0 325.166 2.745 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000843778173 1100287783 /nfs/dbraw/zinc/28/77/83/1100287783.db2.gz BOQLAAHHGNVNGI-UHFFFAOYSA-N 1 0 337.395 2.989 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000843778151 1100290485 /nfs/dbraw/zinc/29/04/85/1100290485.db2.gz BKMMXZBXGDLGOB-CYBMUJFWSA-N 1 0 337.395 2.893 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729533576 1100486238 /nfs/dbraw/zinc/48/62/38/1100486238.db2.gz CIMLSROZRHNBKR-UHFFFAOYSA-N 1 0 336.436 2.727 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000049075965 1100624249 /nfs/dbraw/zinc/62/42/49/1100624249.db2.gz DECAQVRKAHDLBI-SNVBAGLBSA-N 1 0 339.193 2.732 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840103138 1100825018 /nfs/dbraw/zinc/82/50/18/1100825018.db2.gz AZACKQKTXARKFW-KRWDZBQOSA-N 1 0 330.388 2.774 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c(F)c1 ZINC001167068972 1101385857 /nfs/dbraw/zinc/38/58/57/1101385857.db2.gz GKEIWCPOXBPVBT-UHFFFAOYSA-N 1 0 328.347 2.902 20 5 EFBDRO CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)CC1([NH+](C)C)CCC1 ZINC000783548478 1101549608 /nfs/dbraw/zinc/54/96/08/1101549608.db2.gz JDEUKCXLJKYWQA-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000840776243 1101671607 /nfs/dbraw/zinc/67/16/07/1101671607.db2.gz HWMWMTPCUAWCHJ-DLBZAZTESA-N 1 0 334.416 2.765 20 5 EFBDRO C[NH2+]Cc1cn(-c2ncc(OC)cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167124608 1101809547 /nfs/dbraw/zinc/80/95/47/1101809547.db2.gz YBURVODZYQEBSN-UHFFFAOYSA-N 1 0 326.356 2.970 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167205054 1102050535 /nfs/dbraw/zinc/05/05/35/1102050535.db2.gz CQMGPYJZRJJKCV-DYVFJYSZSA-N 1 0 344.802 2.621 20 5 EFBDRO O=C(CCCC(F)(F)F)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167252398 1102148982 /nfs/dbraw/zinc/14/89/82/1102148982.db2.gz DZGVVDWTHJULOY-UHFFFAOYSA-N 1 0 347.337 2.923 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840880197 1102214981 /nfs/dbraw/zinc/21/49/81/1102214981.db2.gz JFVPKDVLFNWKHK-RISCZKNCSA-N 1 0 333.363 2.743 20 5 EFBDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840880198 1102215024 /nfs/dbraw/zinc/21/50/24/1102215024.db2.gz JFVPKDVLFNWKHK-SMDDNHRTSA-N 1 0 333.363 2.743 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001167289703 1102306512 /nfs/dbraw/zinc/30/65/12/1102306512.db2.gz QUUIEGVJXJLLSQ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210379016 1102532715 /nfs/dbraw/zinc/53/27/15/1102532715.db2.gz PYIDZMSOEBJAHF-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000905984380 1103792751 /nfs/dbraw/zinc/79/27/51/1103792751.db2.gz LYAKHNVSEDGPEU-GRYCIOLGSA-N 1 0 337.445 2.870 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000300489528 1104234893 /nfs/dbraw/zinc/23/48/93/1104234893.db2.gz ZGGNWAFHVBBAOR-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1OCc1ccccc1 ZINC001168227373 1104556966 /nfs/dbraw/zinc/55/69/66/1104556966.db2.gz QBUSVNMQSRBAPM-KGLIPLIRSA-N 1 0 346.362 2.681 20 5 EFBDRO C[C@@H]1CCC[C@@](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000749692961 1104592079 /nfs/dbraw/zinc/59/20/79/1104592079.db2.gz UVTNBLJDNXDXNY-ZTFGCOKTSA-N 1 0 335.448 2.728 20 5 EFBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)c1 ZINC001168259964 1104611411 /nfs/dbraw/zinc/61/14/11/1104611411.db2.gz VQOINNAAJJFKMS-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO C[N+](C)(C)CCO[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001224772483 1104703174 /nfs/dbraw/zinc/70/31/74/1104703174.db2.gz ACPUJFZNWHZZRX-HNNXBMFYSA-N 1 0 328.274 2.751 20 5 EFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897760424 1106075411 /nfs/dbraw/zinc/07/54/11/1106075411.db2.gz QPIGDKWDSTZPKT-LURJTMIESA-N 1 0 338.166 2.721 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969634 1106154686 /nfs/dbraw/zinc/15/46/86/1106154686.db2.gz LVKZRCGJIMXKOD-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO O=C(C1CCCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989849198 1106713117 /nfs/dbraw/zinc/71/31/17/1106713117.db2.gz GFNUNDYOCCOIMC-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)o1 ZINC000989902042 1106799980 /nfs/dbraw/zinc/79/99/80/1106799980.db2.gz IYVHANGLJIBJLX-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO O=C(C1=CCCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000991031918 1107335521 /nfs/dbraw/zinc/33/55/21/1107335521.db2.gz ZCQNWBWOERUNND-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000904461371 1107936544 /nfs/dbraw/zinc/93/65/44/1107936544.db2.gz ILCJMMWGKDZAQH-GDBMZVCRSA-N 1 0 349.337 2.911 20 5 EFBDRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc([N+](=O)[O-])nc1 ZINC000905027396 1108361559 /nfs/dbraw/zinc/36/15/59/1108361559.db2.gz VETMSIFXHKPJNX-UHFFFAOYSA-N 1 0 344.371 2.845 20 5 EFBDRO O=C(CC1CCC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990612890 1108386008 /nfs/dbraw/zinc/38/60/08/1108386008.db2.gz YCQPTESMNFAUOT-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990613192 1108389571 /nfs/dbraw/zinc/38/95/71/1108389571.db2.gz YOBFJYQAKYXIHO-ARJAWSKDSA-N 1 0 335.429 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC000905159199 1108435915 /nfs/dbraw/zinc/43/59/15/1108435915.db2.gz LAUAYIGCMKKQMZ-AWEZNQCLSA-N 1 0 342.823 2.784 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167055594 1108765878 /nfs/dbraw/zinc/76/58/78/1108765878.db2.gz INGNGMNPQFUXML-MRVPVSSYSA-N 1 0 342.186 2.949 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927082652 1108821705 /nfs/dbraw/zinc/82/17/05/1108821705.db2.gz GZOFBEIDTRSVEC-DGCLKSJQSA-N 1 0 326.418 2.773 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927082651 1108821860 /nfs/dbraw/zinc/82/18/60/1108821860.db2.gz GZOFBEIDTRSVEC-AAEUAGOBSA-N 1 0 326.418 2.773 20 5 EFBDRO COc1ccc(C[NH2+]CCOC2CCSCC2)cc1[N+](=O)[O-] ZINC000898442915 1108946336 /nfs/dbraw/zinc/94/63/36/1108946336.db2.gz UQWODIHOAOPHLA-UHFFFAOYSA-N 1 0 326.418 2.605 20 5 EFBDRO COC(=O)c1ccc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC000899318788 1109287265 /nfs/dbraw/zinc/28/72/65/1109287265.db2.gz BTAGYRXOJSMLFO-HNNXBMFYSA-N 1 0 326.352 2.864 20 5 EFBDRO Cc1nccn1C[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842318665 1109445529 /nfs/dbraw/zinc/44/55/29/1109445529.db2.gz JPWCTCHWYQBBRY-XFBWCDHKSA-N 1 0 329.356 2.835 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000843811784 1109450618 /nfs/dbraw/zinc/45/06/18/1109450618.db2.gz XLSCEVGTSYSISA-AWEZNQCLSA-N 1 0 349.406 2.846 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159486262 1109661549 /nfs/dbraw/zinc/66/15/49/1109661549.db2.gz VXOOYJCMTVDPHA-NSHDSACASA-N 1 0 328.210 2.528 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159501834 1109671787 /nfs/dbraw/zinc/67/17/87/1109671787.db2.gz DYMRMYBKSTUUFV-ONGXEEELSA-N 1 0 328.210 2.669 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159501393 1109672408 /nfs/dbraw/zinc/67/24/08/1109672408.db2.gz DYMRMYBKSTUUFV-MWLCHTKSSA-N 1 0 328.210 2.669 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000159498073 1109672420 /nfs/dbraw/zinc/67/24/20/1109672420.db2.gz RMVKYRYIHNPMJR-SKDRFNHKSA-N 1 0 328.210 2.526 20 5 EFBDRO C[N+](C)(C)CCCO[C@@H]1COCc2cc(Br)cnc21 ZINC001224623367 1110032112 /nfs/dbraw/zinc/03/21/12/1110032112.db2.gz MWFPOIWQRQNPEA-CYBMUJFWSA-N 1 0 330.246 2.528 20 5 EFBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001106810433 1111869346 /nfs/dbraw/zinc/86/93/46/1111869346.db2.gz IZCHLCBCUSSVIP-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO Cc1ncsc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172070360 282231415 /nfs/dbraw/zinc/23/14/15/282231415.db2.gz ICTJMNFJJAJDMD-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000061013548 214652804 /nfs/dbraw/zinc/65/28/04/214652804.db2.gz QWCWEMDLCXGTPP-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186765538 529902754 /nfs/dbraw/zinc/90/27/54/529902754.db2.gz WXPGPLWLLPJLGF-UHFFFAOYSA-N 1 0 333.413 2.976 20 5 EFBDRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000187128735 530043306 /nfs/dbraw/zinc/04/33/06/530043306.db2.gz GMFGLLXCZCUQQG-UHFFFAOYSA-N 1 0 325.368 2.794 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687899 232377692 /nfs/dbraw/zinc/37/76/92/232377692.db2.gz KSFQQWYCVUKXDF-NXEZZACHSA-N 1 0 333.310 2.621 20 5 EFBDRO CCCNC(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102420007 219201747 /nfs/dbraw/zinc/20/17/47/219201747.db2.gz VWHRFIWWCMLYON-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181646612 234267850 /nfs/dbraw/zinc/26/78/50/234267850.db2.gz CLNHUWBXGPMGFJ-GOEBONIOSA-N 1 0 345.443 2.907 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000183400782 235050737 /nfs/dbraw/zinc/05/07/37/235050737.db2.gz CZSDCYGBNBWIJV-UHFFFAOYSA-N 1 0 331.338 2.754 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183363976 235030222 /nfs/dbraw/zinc/03/02/22/235030222.db2.gz UYFPEPJOEFRVBF-LBPRGKRZSA-N 1 0 337.445 2.581 20 5 EFBDRO C[NH+]1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025054845 202125811 /nfs/dbraw/zinc/12/58/11/202125811.db2.gz CWRQFXLMDBBQOX-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000344746687 283241574 /nfs/dbraw/zinc/24/15/74/283241574.db2.gz JFTOUEBBFFPTHK-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000189725310 237189992 /nfs/dbraw/zinc/18/99/92/237189992.db2.gz ADWVCXHLCGSGFV-CYBMUJFWSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449585523 296026599 /nfs/dbraw/zinc/02/65/99/296026599.db2.gz FGKOQNXEEYPISD-RQJABVFESA-N 1 0 348.447 2.543 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000130100089 223121305 /nfs/dbraw/zinc/12/13/05/223121305.db2.gz LYFHBSLCOYICSM-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000190324991 238391588 /nfs/dbraw/zinc/39/15/88/238391588.db2.gz NHYBJXBYAFQDBQ-UHFFFAOYSA-N 1 0 348.428 2.620 20 5 EFBDRO Cc1nn(C)c(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265091812 201214149 /nfs/dbraw/zinc/21/41/49/201214149.db2.gz AORCXRHYCCECOI-OAHLLOKOSA-N 1 0 329.404 2.713 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000269030944 201229216 /nfs/dbraw/zinc/22/92/16/201229216.db2.gz SDMNKKSSEXPJNE-SMDDNHRTSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000163450523 239105590 /nfs/dbraw/zinc/10/55/90/239105590.db2.gz WQLMDOQAENYYAW-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000298342168 201352926 /nfs/dbraw/zinc/35/29/26/201352926.db2.gz IXEGJQSSHYBMPP-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000152734740 201392503 /nfs/dbraw/zinc/39/25/03/201392503.db2.gz VHIAASRNLNOYML-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152736057 201393000 /nfs/dbraw/zinc/39/30/00/201393000.db2.gz CKHNYNPOQOKKHD-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000163575397 201418110 /nfs/dbraw/zinc/41/81/10/201418110.db2.gz PWDBETYBLVUUAA-GUYCJALGSA-N 1 0 327.384 2.590 20 5 EFBDRO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCC1 ZINC000193215870 240065249 /nfs/dbraw/zinc/06/52/49/240065249.db2.gz JFVZNNBANWSMIV-UHFFFAOYSA-N 1 0 349.387 2.773 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193467360 240108516 /nfs/dbraw/zinc/10/85/16/240108516.db2.gz CSFLGDUENCMSHE-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO CCOc1cccc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193739117 240124639 /nfs/dbraw/zinc/12/46/39/240124639.db2.gz IOHQKNQWMUCWCL-OKILXGFUSA-N 1 0 337.420 2.539 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000193819024 240127262 /nfs/dbraw/zinc/12/72/62/240127262.db2.gz PUVQVJRKNNYHAN-HNNXBMFYSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1cccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000195428838 240226667 /nfs/dbraw/zinc/22/66/67/240226667.db2.gz JJUFHHXMHZRXEJ-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000193679828 240263134 /nfs/dbraw/zinc/26/31/34/240263134.db2.gz BMXOWXKZCGHBOI-ZBEGNZNMSA-N 1 0 345.424 2.938 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000261738999 240320876 /nfs/dbraw/zinc/32/08/76/240320876.db2.gz KWDUMNKMXHHCBC-CYBMUJFWSA-N 1 0 348.406 2.736 20 5 EFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000193885032 240345644 /nfs/dbraw/zinc/34/56/44/240345644.db2.gz SCIJWXQMXGEIAA-ARFHVFGLSA-N 1 0 332.400 2.847 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000195334490 240935910 /nfs/dbraw/zinc/93/59/10/240935910.db2.gz DIUWPPASFXYHFC-CQSZACIVSA-N 1 0 335.383 2.974 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000216626643 241202207 /nfs/dbraw/zinc/20/22/07/241202207.db2.gz DEHNBZKVMMZITI-MNOVXSKESA-N 1 0 341.209 2.791 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370662499 299370784 /nfs/dbraw/zinc/37/07/84/299370784.db2.gz MARMEPGAGOHMHR-BMGDILEWSA-N 1 0 333.432 2.889 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000354656223 242008393 /nfs/dbraw/zinc/00/83/93/242008393.db2.gz QHWGDQMSANWFMC-UHFFFAOYSA-N 1 0 326.356 2.921 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000232893972 242275027 /nfs/dbraw/zinc/27/50/27/242275027.db2.gz LSECWRPUEDIDII-LLVKDONJSA-N 1 0 343.225 2.942 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236587045 242289124 /nfs/dbraw/zinc/28/91/24/242289124.db2.gz LRDKDMGRELNDFO-VXGBXAGGSA-N 1 0 325.434 2.565 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236591243 242291970 /nfs/dbraw/zinc/29/19/70/242291970.db2.gz IJJWLSZSNJJESS-CMPLNLGQSA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236623290 242298511 /nfs/dbraw/zinc/29/85/11/242298511.db2.gz NAIFOWINTUAXDL-LBPRGKRZSA-N 1 0 343.811 2.507 20 5 EFBDRO CC(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236649021 242307111 /nfs/dbraw/zinc/30/71/11/242307111.db2.gz DXIMXWWEBCPZPJ-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO CCN(CC)[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236870764 242389860 /nfs/dbraw/zinc/38/98/60/242389860.db2.gz WCXYVAANOHHPTG-CQSZACIVSA-N 1 0 345.447 2.815 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000238090939 242929771 /nfs/dbraw/zinc/92/97/71/242929771.db2.gz VBVOKSHXOAQZHS-CQSZACIVSA-N 1 0 325.796 2.886 20 5 EFBDRO CN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000411872145 243009140 /nfs/dbraw/zinc/00/91/40/243009140.db2.gz UNFINOCWROSVJY-UHFFFAOYSA-N 1 0 349.456 2.919 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000411936503 243032446 /nfs/dbraw/zinc/03/24/46/243032446.db2.gz CHUXLYDCVGGLFB-GTNSWQLSSA-N 1 0 336.388 2.755 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948607 243039269 /nfs/dbraw/zinc/03/92/69/243039269.db2.gz NQMSSOYTEBLULZ-DIFFPNOSSA-N 1 0 346.387 2.938 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000412024076 243078649 /nfs/dbraw/zinc/07/86/49/243078649.db2.gz YJQSYMXZTVOOEO-NSHDSACASA-N 1 0 332.360 2.692 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412041207 243088823 /nfs/dbraw/zinc/08/88/23/243088823.db2.gz SQEOUIFRGSHPEH-OAHLLOKOSA-N 1 0 347.415 2.580 20 5 EFBDRO CC(C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000245459666 243114409 /nfs/dbraw/zinc/11/44/09/243114409.db2.gz VLPZLJDJZGFGBW-JKSUJKDBSA-N 1 0 349.456 2.774 20 5 EFBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245820710 243160124 /nfs/dbraw/zinc/16/01/24/243160124.db2.gz VXKZQWKGLYKZDO-CXAGYDPISA-N 1 0 346.383 2.733 20 5 EFBDRO CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000245567271 243131107 /nfs/dbraw/zinc/13/11/07/243131107.db2.gz UIPUSBNZZPSHFP-CXAGYDPISA-N 1 0 344.415 2.995 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412152459 243172338 /nfs/dbraw/zinc/17/23/38/243172338.db2.gz AOGHQBKKUZJEBS-PQEBFOHHSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000412283362 243243588 /nfs/dbraw/zinc/24/35/88/243243588.db2.gz XIMUIZUMCSEVFT-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412366827 243290040 /nfs/dbraw/zinc/29/00/40/243290040.db2.gz RSYDQJZDWOWVDY-YQVWRLOYSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412349015 243279964 /nfs/dbraw/zinc/27/99/64/243279964.db2.gz SFCJHMIXZNWELG-RUGDWHBFSA-N 1 0 343.427 2.784 20 5 EFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000070928492 203083995 /nfs/dbraw/zinc/08/39/95/203083995.db2.gz FAPCSBQUNPGHLO-UHFFFAOYSA-N 1 0 340.383 2.636 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414298450 244077979 /nfs/dbraw/zinc/07/79/79/244077979.db2.gz QHXSCJHZAUMOQA-ISTRZQFTSA-N 1 0 337.420 2.697 20 5 EFBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000071857553 203130185 /nfs/dbraw/zinc/13/01/85/203130185.db2.gz LWMSTZIGJUMLGB-UHFFFAOYSA-N 1 0 337.383 2.723 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414298454 244078207 /nfs/dbraw/zinc/07/82/07/244078207.db2.gz QHXSCJHZAUMOQA-PVUWLOKVSA-N 1 0 337.420 2.697 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071888995 203139011 /nfs/dbraw/zinc/13/90/11/203139011.db2.gz SQUOKMAXWMFDNN-STQMWFEESA-N 1 0 349.456 2.676 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414510443 244203283 /nfs/dbraw/zinc/20/32/83/244203283.db2.gz HWZVQDCICULADN-CHWSQXEVSA-N 1 0 340.351 2.517 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414534643 244217129 /nfs/dbraw/zinc/21/71/29/244217129.db2.gz VJNPPJOEZQCCGY-CQSZACIVSA-N 1 0 334.347 2.608 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414524594 244211246 /nfs/dbraw/zinc/21/12/46/244211246.db2.gz IINHEZVNGNJQSS-HNNXBMFYSA-N 1 0 348.374 2.998 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414524595 244211346 /nfs/dbraw/zinc/21/13/46/244211346.db2.gz IINHEZVNGNJQSS-OAHLLOKOSA-N 1 0 348.374 2.998 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)o1 ZINC000414557375 244233497 /nfs/dbraw/zinc/23/34/97/244233497.db2.gz NNVQSSWVUKFEIH-BBRMVZONSA-N 1 0 346.383 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCOC3)o2)cc1 ZINC000414569725 244238736 /nfs/dbraw/zinc/23/87/36/244238736.db2.gz ZSEWNHLCMCTGHN-RHSMWYFYSA-N 1 0 346.383 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCOC3)o2)cc1 ZINC000414569727 244239587 /nfs/dbraw/zinc/23/95/87/244239587.db2.gz ZSEWNHLCMCTGHN-WMLDXEAASA-N 1 0 346.383 2.732 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414652162 244275833 /nfs/dbraw/zinc/27/58/33/244275833.db2.gz GGDSAVXTGDHXQZ-AWEZNQCLSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1ccc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000414668762 244286450 /nfs/dbraw/zinc/28/64/50/244286450.db2.gz ZHPFLYNRBFKRBO-INIZCTEOSA-N 1 0 340.383 2.912 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072823244 203245908 /nfs/dbraw/zinc/24/59/08/203245908.db2.gz XEDNCFLRCVSLMA-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO C[NH2+]CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434384 203252935 /nfs/dbraw/zinc/25/29/35/203252935.db2.gz VELCLONHJLDNQX-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000072986912 203253089 /nfs/dbraw/zinc/25/30/89/203253089.db2.gz QYKKEDHXXHQUEJ-ZDUSSCGKSA-N 1 0 339.461 2.847 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414769754 244336964 /nfs/dbraw/zinc/33/69/64/244336964.db2.gz NQVSNKQDNBWOIO-TXEJJXNPSA-N 1 0 341.358 2.628 20 5 EFBDRO COCC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414881858 244387363 /nfs/dbraw/zinc/38/73/63/244387363.db2.gz KTWROWBAVGWLSJ-UHFFFAOYSA-N 1 0 335.429 2.649 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414942862 244398895 /nfs/dbraw/zinc/39/88/95/244398895.db2.gz DRKUFUQWLQGTQV-BDAKNGLRSA-N 1 0 344.318 2.588 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415656845 244442821 /nfs/dbraw/zinc/44/28/21/244442821.db2.gz LTXJGXARGBIPSJ-NWDGAFQWSA-N 1 0 336.392 2.585 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCOC1 ZINC000075105029 203300943 /nfs/dbraw/zinc/30/09/43/203300943.db2.gz UCNIGMZVYJKQCS-RYUDHWBXSA-N 1 0 332.360 2.674 20 5 EFBDRO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000416109271 244513815 /nfs/dbraw/zinc/51/38/15/244513815.db2.gz REQREITZFNARFJ-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO Cc1c(C[N@H+](CCC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000076798980 203365038 /nfs/dbraw/zinc/36/50/38/203365038.db2.gz GHJXNGXYBGUBJR-UHFFFAOYSA-N 1 0 327.384 2.781 20 5 EFBDRO Cc1c(Br)c(N2CC[C@@H](C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000261634216 291482877 /nfs/dbraw/zinc/48/28/77/291482877.db2.gz DQMFINSGMJCUJH-SCZZXKLOSA-N 1 0 343.225 2.624 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005444 203554018 /nfs/dbraw/zinc/55/40/18/203554018.db2.gz ZZXTVTZPJZZOBP-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262241438 244880415 /nfs/dbraw/zinc/88/04/15/244880415.db2.gz HUCIYXYKKQVTIR-IHXNAJNRSA-N 1 0 331.416 2.707 20 5 EFBDRO Cc1c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374098093 291494162 /nfs/dbraw/zinc/49/41/62/291494162.db2.gz BMZZIUKSJDBXMR-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140027 245040305 /nfs/dbraw/zinc/04/03/05/245040305.db2.gz PEEPBUVZWCYPRT-BLLLJJGKSA-N 1 0 334.420 2.863 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261830383 296159979 /nfs/dbraw/zinc/15/99/79/296159979.db2.gz XPBGVCSIWBQMSL-CYBMUJFWSA-N 1 0 337.807 2.852 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322996 245121468 /nfs/dbraw/zinc/12/14/68/245121468.db2.gz UKCCUBPBOYPCIL-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418357773 245135303 /nfs/dbraw/zinc/13/53/03/245135303.db2.gz YNTWFAFDCMGFFS-UKRRQHHQSA-N 1 0 346.431 2.657 20 5 EFBDRO CC(C)(NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418526094 245183558 /nfs/dbraw/zinc/18/35/58/245183558.db2.gz ZEJJRKIITNSSAE-KRWDZBQOSA-N 1 0 334.420 2.519 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262764180 245166860 /nfs/dbraw/zinc/16/68/60/245166860.db2.gz RORKZXRMWMMWRL-XUJVJEKNSA-N 1 0 337.445 2.804 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418594415 245205570 /nfs/dbraw/zinc/20/55/70/245205570.db2.gz FMZDOZDODLPWKB-DZGCQCFKSA-N 1 0 334.420 2.655 20 5 EFBDRO O=C(NCCC1=CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418639341 245222106 /nfs/dbraw/zinc/22/21/06/245222106.db2.gz LVWALCJSLIZKQD-UHFFFAOYSA-N 1 0 344.415 2.579 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418644163 245223848 /nfs/dbraw/zinc/22/38/48/245223848.db2.gz PQOIITKTVJLCHE-UHFFFAOYSA-N 1 0 346.431 2.825 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236688321 203964659 /nfs/dbraw/zinc/96/46/59/203964659.db2.gz LQDBQTKIWZEXQQ-INIZCTEOSA-N 1 0 348.428 2.822 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418709328 245254759 /nfs/dbraw/zinc/25/47/59/245254759.db2.gz DCFGOIIEDJJUSW-CABCVRRESA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236785856 203971864 /nfs/dbraw/zinc/97/18/64/203971864.db2.gz FUCGARNKSLZSGD-HNNXBMFYSA-N 1 0 348.447 2.640 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418718679 245258080 /nfs/dbraw/zinc/25/80/80/245258080.db2.gz DPDBSHXSLXXELT-JSGCOSHPSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418718678 245258242 /nfs/dbraw/zinc/25/82/42/245258242.db2.gz DPDBSHXSLXXELT-GXTWGEPZSA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418725310 245262251 /nfs/dbraw/zinc/26/22/51/245262251.db2.gz OXAFGVSRSQDVDK-UKRRQHHQSA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418797076 245295852 /nfs/dbraw/zinc/29/58/52/245295852.db2.gz UOTPCLLKKYVPRL-LSDHHAIUSA-N 1 0 334.420 2.642 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588358 204013012 /nfs/dbraw/zinc/01/30/12/204013012.db2.gz DBCUPOTXVIBPEU-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418762887 245280662 /nfs/dbraw/zinc/28/06/62/245280662.db2.gz HQJQBPXKKZPYQI-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000102636799 204044704 /nfs/dbraw/zinc/04/47/04/204044704.db2.gz GILQWOOTQOLOAB-AWEZNQCLSA-N 1 0 336.436 2.633 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000102757572 204049318 /nfs/dbraw/zinc/04/93/18/204049318.db2.gz ZUQXECNXVQMYRQ-UHFFFAOYSA-N 1 0 342.399 2.750 20 5 EFBDRO C[C@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000104684126 204114917 /nfs/dbraw/zinc/11/49/17/204114917.db2.gz ZDVHMOLZDNNINC-AWEZNQCLSA-N 1 0 349.431 2.573 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+](C4CC4)CC3)o2)c1 ZINC000104678958 204114999 /nfs/dbraw/zinc/11/49/99/204114999.db2.gz VYDFSQOCBPJTFI-UHFFFAOYSA-N 1 0 342.399 2.572 20 5 EFBDRO CO[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104694651 204116653 /nfs/dbraw/zinc/11/66/53/204116653.db2.gz PDORWEORRGLJAV-HNNXBMFYSA-N 1 0 331.372 2.903 20 5 EFBDRO CCCO[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398998 204260972 /nfs/dbraw/zinc/26/09/72/204260972.db2.gz QUOWZLCRLGORLR-KRWDZBQOSA-N 1 0 349.431 2.839 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000110995843 204330664 /nfs/dbraw/zinc/33/06/64/204330664.db2.gz UYTQUWBNIWBURP-CQSZACIVSA-N 1 0 337.445 2.678 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000110019498 204299633 /nfs/dbraw/zinc/29/96/33/204299633.db2.gz YHJWEGKWIPPXJZ-UHFFFAOYSA-N 1 0 331.372 2.958 20 5 EFBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000111404200 204355770 /nfs/dbraw/zinc/35/57/70/204355770.db2.gz UZMZYILHEZGZIY-KRWDZBQOSA-N 1 0 346.431 2.882 20 5 EFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112987629 204426339 /nfs/dbraw/zinc/42/63/39/204426339.db2.gz DADYJQMKIWFRQN-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050164179 204529721 /nfs/dbraw/zinc/52/97/21/204529721.db2.gz ITHLOUZKIIEIGK-IUCAKERBSA-N 1 0 329.198 2.552 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419377624 245394697 /nfs/dbraw/zinc/39/46/97/245394697.db2.gz UZEZGLJBLXAYMN-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419380483 245394708 /nfs/dbraw/zinc/39/47/08/245394708.db2.gz XRTUWGXCLKVVRY-LOWDOPEQSA-N 1 0 335.404 2.907 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000118792236 204609260 /nfs/dbraw/zinc/60/92/60/204609260.db2.gz INBOQPSSQSUEMI-JTQLQIEISA-N 1 0 326.784 2.664 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359809264 296186125 /nfs/dbraw/zinc/18/61/25/296186125.db2.gz RYTBAGSJQMJZPS-UHFFFAOYSA-N 1 0 334.420 2.794 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000125313042 205004095 /nfs/dbraw/zinc/00/40/95/205004095.db2.gz BZJCVTQMXRMNPG-OLZOCXBDSA-N 1 0 335.404 2.635 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126100576 205040880 /nfs/dbraw/zinc/04/08/80/205040880.db2.gz FGEHPMZTDFKWJW-YOEHRIQHSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000126151569 205043545 /nfs/dbraw/zinc/04/35/45/205043545.db2.gz LHSCLQSTPKCQHJ-UHFFFAOYSA-N 1 0 344.314 2.535 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000126504271 205058732 /nfs/dbraw/zinc/05/87/32/205058732.db2.gz ULZUEVFEXWPSMS-KCQAQPDRSA-N 1 0 346.431 2.889 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000127324209 205095421 /nfs/dbraw/zinc/09/54/21/205095421.db2.gz IOMKFAMSNAKYGZ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127648729 205110911 /nfs/dbraw/zinc/11/09/11/205110911.db2.gz ICXKSMORPQZHKF-CXAGYDPISA-N 1 0 331.416 2.955 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420238215 245567118 /nfs/dbraw/zinc/56/71/18/245567118.db2.gz GZMJLMXLZBVQFP-MRXNPFEDSA-N 1 0 346.431 2.677 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000127691292 205111836 /nfs/dbraw/zinc/11/18/36/205111836.db2.gz AYKUGRPDBDDKPY-CQSZACIVSA-N 1 0 330.388 2.690 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420201806 245554341 /nfs/dbraw/zinc/55/43/41/245554341.db2.gz NLTGGWJQNCGOOA-LBPRGKRZSA-N 1 0 332.429 2.942 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000420253512 245573486 /nfs/dbraw/zinc/57/34/86/245573486.db2.gz DUPYMQCHVFBADI-CHWSQXEVSA-N 1 0 330.413 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000420253516 245574769 /nfs/dbraw/zinc/57/47/69/245574769.db2.gz DUPYMQCHVFBADI-QWHCGFSZSA-N 1 0 330.413 2.764 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128246045 205140086 /nfs/dbraw/zinc/14/00/86/205140086.db2.gz NGQNRMAPSSNEKP-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000128286095 205141100 /nfs/dbraw/zinc/14/11/00/205141100.db2.gz SQRFDCQHJUSJDZ-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(C)(C)O1 ZINC000128365082 205144979 /nfs/dbraw/zinc/14/49/79/205144979.db2.gz VHLJEJMADHYGTL-LLVKDONJSA-N 1 0 339.367 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccoc1C ZINC000128492885 205149176 /nfs/dbraw/zinc/14/91/76/205149176.db2.gz GBNMAKADWOOLAG-LLVKDONJSA-N 1 0 347.371 2.964 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000130263883 205231646 /nfs/dbraw/zinc/23/16/46/205231646.db2.gz SQDNTQITYPMPEH-KBPBESRZSA-N 1 0 334.420 2.557 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246834420 205236513 /nfs/dbraw/zinc/23/65/13/205236513.db2.gz KGBRSIDTARCCIP-QWQRMKEZSA-N 1 0 347.415 2.549 20 5 EFBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000129971811 205219149 /nfs/dbraw/zinc/21/91/49/205219149.db2.gz PGXNXNHQQCYQIM-LBPRGKRZSA-N 1 0 336.388 2.613 20 5 EFBDRO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247080590 205256835 /nfs/dbraw/zinc/25/68/35/205256835.db2.gz PDQLDXNBJRYMJQ-XYPHTWIQSA-N 1 0 346.431 2.924 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000131052645 205271899 /nfs/dbraw/zinc/27/18/99/205271899.db2.gz JHANMCDUTMUGIM-SNVBAGLBSA-N 1 0 345.321 2.637 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247527356 205296951 /nfs/dbraw/zinc/29/69/51/205296951.db2.gz NXWQMVVYCRXRHX-KKBFJZEXSA-N 1 0 334.416 2.988 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132440021 205325466 /nfs/dbraw/zinc/32/54/66/205325466.db2.gz KXQNEGUYNMWOIY-AWEZNQCLSA-N 1 0 335.404 2.859 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000132519193 205330682 /nfs/dbraw/zinc/33/06/82/205330682.db2.gz IFJXMHZOYWMRMP-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000132364319 205321341 /nfs/dbraw/zinc/32/13/41/205321341.db2.gz CKDUOYXUUYCDFC-CQSZACIVSA-N 1 0 346.431 2.576 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132989387 205350387 /nfs/dbraw/zinc/35/03/87/205350387.db2.gz PBVWMWLRMGSNNN-NVXWUHKLSA-N 1 0 337.395 2.914 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132989569 205350549 /nfs/dbraw/zinc/35/05/49/205350549.db2.gz PBVWMWLRMGSNNN-DOTOQJQBSA-N 1 0 337.395 2.914 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132925135 205348586 /nfs/dbraw/zinc/34/85/86/205348586.db2.gz ORNNDWDFCLKKLP-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000133788392 205379465 /nfs/dbraw/zinc/37/94/65/205379465.db2.gz CPMICXGWUPHLAV-GFCCVEGCSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000134032850 205388271 /nfs/dbraw/zinc/38/82/71/205388271.db2.gz YEKUNBIVAOBUCY-INIZCTEOSA-N 1 0 347.459 2.930 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000153349738 205841194 /nfs/dbraw/zinc/84/11/94/205841194.db2.gz FLVFIYTYGFQNPS-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153715210 205876397 /nfs/dbraw/zinc/87/63/97/205876397.db2.gz RKBMISCQMCRNEN-PBHICJAKSA-N 1 0 329.400 2.684 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000153802214 205882044 /nfs/dbraw/zinc/88/20/44/205882044.db2.gz LCSOMXJHRQKXNL-LLVKDONJSA-N 1 0 340.811 2.556 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000153909731 205892656 /nfs/dbraw/zinc/89/26/56/205892656.db2.gz QMKXIYZITLRQQT-ZIBATOQPSA-N 1 0 328.434 2.757 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154661585 205946134 /nfs/dbraw/zinc/94/61/34/205946134.db2.gz ZDZINZOFMKJOMR-QGZVFWFLSA-N 1 0 339.395 2.805 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264616088 296210314 /nfs/dbraw/zinc/21/03/14/296210314.db2.gz QRPUNWHRXRJXHG-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264072706 246039364 /nfs/dbraw/zinc/03/93/64/246039364.db2.gz IHIBQLYCRXLEAP-UHFFFAOYSA-N 1 0 343.387 2.681 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421686196 246064237 /nfs/dbraw/zinc/06/42/37/246064237.db2.gz ZVFJMMXMSAOWCS-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421686178 246064261 /nfs/dbraw/zinc/06/42/61/246064261.db2.gz ZRJDVHFPSZWPEO-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457217814 296212088 /nfs/dbraw/zinc/21/20/88/296212088.db2.gz HOZHGXYTTSSDOI-LLVKDONJSA-N 1 0 325.434 2.532 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000421710383 246075568 /nfs/dbraw/zinc/07/55/68/246075568.db2.gz KHWZFJAZJVROMT-CYBMUJFWSA-N 1 0 337.395 2.564 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000421781326 246112023 /nfs/dbraw/zinc/11/20/23/246112023.db2.gz AJMZAKMMPTVHCF-OAHLLOKOSA-N 1 0 333.432 2.919 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H](C)N1CCOCC1 ZINC000264181748 246148265 /nfs/dbraw/zinc/14/82/65/246148265.db2.gz BDTLZXVPVUIRMN-OLZOCXBDSA-N 1 0 330.388 2.664 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000264181432 246148804 /nfs/dbraw/zinc/14/88/04/246148804.db2.gz MUNPBCPZYCIEOZ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000421896903 246156913 /nfs/dbraw/zinc/15/69/13/246156913.db2.gz ZYJDWGFKIQYIHW-WMLDXEAASA-N 1 0 345.443 2.764 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156460619 206078796 /nfs/dbraw/zinc/07/87/96/206078796.db2.gz QUOZLXMXITYGBF-CYBMUJFWSA-N 1 0 342.399 2.699 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000157288326 206126913 /nfs/dbraw/zinc/12/69/13/206126913.db2.gz ZDGCKCQXVKGUNZ-QDTKCAEZSA-N 1 0 329.400 2.551 20 5 EFBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000157071263 206115406 /nfs/dbraw/zinc/11/54/06/206115406.db2.gz ZYEHYRMPXAFGKV-SNVBAGLBSA-N 1 0 349.774 2.815 20 5 EFBDRO CSc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000157482289 206138349 /nfs/dbraw/zinc/13/83/49/206138349.db2.gz UQHMMGFLNMOJFV-OAHLLOKOSA-N 1 0 325.434 2.810 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1nccs1 ZINC000157541096 206141403 /nfs/dbraw/zinc/14/14/03/206141403.db2.gz PJPXCPGGMCJJKW-UHFFFAOYSA-N 1 0 348.428 2.863 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1 ZINC000157371905 206133004 /nfs/dbraw/zinc/13/30/04/206133004.db2.gz PCRSIFDNOHSFCB-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)cs1 ZINC000157685995 206151794 /nfs/dbraw/zinc/15/17/94/206151794.db2.gz WBFREJMODBGGOE-UHFFFAOYSA-N 1 0 345.222 2.747 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158243966 206180494 /nfs/dbraw/zinc/18/04/94/206180494.db2.gz KXVJHYXQOAKOMS-GWCFXTLKSA-N 1 0 345.321 2.799 20 5 EFBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000159434078 206246213 /nfs/dbraw/zinc/24/62/13/206246213.db2.gz HKEQMSWQHJZMTK-UHFFFAOYSA-N 1 0 331.210 2.950 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159535229 206250957 /nfs/dbraw/zinc/25/09/57/206250957.db2.gz DAQDRXDCTOWBAR-ZLDLUXBVSA-N 1 0 346.387 2.799 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 ZINC000422830491 246477783 /nfs/dbraw/zinc/47/77/83/246477783.db2.gz IJEGHUOPTFWWTQ-HNNXBMFYSA-N 1 0 342.399 2.780 20 5 EFBDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000159770717 206262104 /nfs/dbraw/zinc/26/21/04/206262104.db2.gz HEDQMQAJKCETLE-UHFFFAOYSA-N 1 0 343.383 2.942 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000159836690 206265704 /nfs/dbraw/zinc/26/57/04/206265704.db2.gz YTMVXHDVLDMDBM-OAHLLOKOSA-N 1 0 331.372 2.967 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000425353235 247056104 /nfs/dbraw/zinc/05/61/04/247056104.db2.gz PUEUVMIXUNAVLR-VURMDHGXSA-N 1 0 333.432 2.651 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000264931649 247057949 /nfs/dbraw/zinc/05/79/49/247057949.db2.gz SPLQHKSBWYPWEF-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000425431527 247083875 /nfs/dbraw/zinc/08/38/75/247083875.db2.gz IEYLHHSWTMMCGI-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000425469148 247096104 /nfs/dbraw/zinc/09/61/04/247096104.db2.gz DTYLOVMFTAQTGF-UHFFFAOYSA-N 1 0 331.210 2.808 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000425468845 247096116 /nfs/dbraw/zinc/09/61/16/247096116.db2.gz DAALANKSJKDZQR-MFKMUULPSA-N 1 0 343.221 2.998 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000425468843 247096968 /nfs/dbraw/zinc/09/69/68/247096968.db2.gz DAALANKSJKDZQR-GWCFXTLKSA-N 1 0 343.221 2.998 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+](C)C ZINC000265044239 247156603 /nfs/dbraw/zinc/15/66/03/247156603.db2.gz AGUDJHYERYVILL-ZDUSSCGKSA-N 1 0 332.404 2.782 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265051178 247163538 /nfs/dbraw/zinc/16/35/38/247163538.db2.gz PZUUVFLUVUGIOT-DLBZAZTESA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426248709 247253689 /nfs/dbraw/zinc/25/36/89/247253689.db2.gz NAYDIBFNNPOWFR-NILFDRSVSA-N 1 0 346.387 2.941 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426468851 247283581 /nfs/dbraw/zinc/28/35/81/247283581.db2.gz OHEHVNICNCYAKD-AWEZNQCLSA-N 1 0 344.415 2.506 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCOCC3)s2)cc1 ZINC000265232735 247322455 /nfs/dbraw/zinc/32/24/55/247322455.db2.gz JAFNIVCSCMQTPW-UHFFFAOYSA-N 1 0 348.424 2.954 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000429701807 247672113 /nfs/dbraw/zinc/67/21/13/247672113.db2.gz MJEVPSOSYIXKFT-GVDBMIGSSA-N 1 0 332.400 2.911 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160473416 206299314 /nfs/dbraw/zinc/29/93/14/206299314.db2.gz BSTUFNGWWISHIX-UHFFFAOYSA-N 1 0 348.447 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000160795002 206313978 /nfs/dbraw/zinc/31/39/78/206313978.db2.gz HIHYNZVUKLCNQS-UHFFFAOYSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000249112135 206348130 /nfs/dbraw/zinc/34/81/30/206348130.db2.gz RGXPJIKAHKHVJS-DVOMOZLQSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000057 248014005 /nfs/dbraw/zinc/01/40/05/248014005.db2.gz IXIUTUYNRVNCPC-CABCVRRESA-N 1 0 346.387 2.770 20 5 EFBDRO O=C1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000433096838 248016229 /nfs/dbraw/zinc/01/62/29/248016229.db2.gz JJHORKQCRSFCHT-FVQBIDKESA-N 1 0 331.416 2.564 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c2c(c1)COCO2 ZINC000266011028 248027524 /nfs/dbraw/zinc/02/75/24/248027524.db2.gz MCMLAIAQROGVLZ-UHFFFAOYSA-N 1 0 348.399 2.854 20 5 EFBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000266019956 248035313 /nfs/dbraw/zinc/03/53/13/248035313.db2.gz RAJZTHWTZPFRSC-IRXDYDNUSA-N 1 0 334.416 2.655 20 5 EFBDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000433566144 248072067 /nfs/dbraw/zinc/07/20/67/248072067.db2.gz YJHNFAVZKYAXNH-GUYCJALGSA-N 1 0 346.431 2.972 20 5 EFBDRO CC(C)C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000266085439 248085761 /nfs/dbraw/zinc/08/57/61/248085761.db2.gz YMZOCNBUHSJFBE-MRXNPFEDSA-N 1 0 335.448 2.965 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266051957 248063465 /nfs/dbraw/zinc/06/34/65/248063465.db2.gz ZCEIOXMVASHTTI-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000266163957 248142427 /nfs/dbraw/zinc/14/24/27/248142427.db2.gz OMRIPOFLRYVZLK-KRWDZBQOSA-N 1 0 334.372 2.811 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000266169963 248146465 /nfs/dbraw/zinc/14/64/65/248146465.db2.gz QQLBOSFWIAJMCS-HNNXBMFYSA-N 1 0 349.431 2.697 20 5 EFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433938625 248105600 /nfs/dbraw/zinc/10/56/00/248105600.db2.gz BPLNPGGMIDUMJW-DLBZAZTESA-N 1 0 330.388 2.821 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375142 248232684 /nfs/dbraw/zinc/23/26/84/248232684.db2.gz ZWGBTBCTXKCEPR-IAQYHMDHSA-N 1 0 332.429 2.887 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000266299775 248233557 /nfs/dbraw/zinc/23/35/57/248233557.db2.gz JMNXZDLTOFNWHY-YXMGTMDOSA-N 1 0 331.416 2.798 20 5 EFBDRO CN(C)C(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266506347 248335718 /nfs/dbraw/zinc/33/57/18/248335718.db2.gz WSFUILAEJDYFFV-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000266452694 248308000 /nfs/dbraw/zinc/30/80/00/248308000.db2.gz ORGIXRPLYLZEIC-CZUORRHYSA-N 1 0 340.383 2.656 20 5 EFBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266523849 248344271 /nfs/dbraw/zinc/34/42/71/248344271.db2.gz JJXBWYQQSXLRQQ-SJLPKXTDSA-N 1 0 344.415 2.552 20 5 EFBDRO COc1ccc(OCC[N@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266544274 248353216 /nfs/dbraw/zinc/35/32/16/248353216.db2.gz RAQQMPAADRDPJK-QGZVFWFLSA-N 1 0 346.383 2.648 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000266553969 248357681 /nfs/dbraw/zinc/35/76/81/248357681.db2.gz VIMBEPJXHXIJSP-HIFRSBDPSA-N 1 0 331.416 2.894 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000266553971 248357785 /nfs/dbraw/zinc/35/77/85/248357785.db2.gz VIMBEPJXHXIJSP-ZFWWWQNUSA-N 1 0 331.416 2.894 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000091097079 217966426 /nfs/dbraw/zinc/96/64/26/217966426.db2.gz QPACHVCRNBRLLK-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000441543557 250040749 /nfs/dbraw/zinc/04/07/49/250040749.db2.gz RHKXCUHSZDWYBD-CQSZACIVSA-N 1 0 344.415 2.724 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000443642989 250214918 /nfs/dbraw/zinc/21/49/18/250214918.db2.gz QDGLIIKNVDUWBI-KGLIPLIRSA-N 1 0 331.416 2.852 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000443510020 250201400 /nfs/dbraw/zinc/20/14/00/250201400.db2.gz NDVBBMWSNJGUAK-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO COc1cc(CNCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000444014590 250249704 /nfs/dbraw/zinc/24/97/04/250249704.db2.gz XWWFSURYVCKLJG-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000444267986 250278364 /nfs/dbraw/zinc/27/83/64/250278364.db2.gz KYGDIVKRLICPNO-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444290364 250282691 /nfs/dbraw/zinc/28/26/91/250282691.db2.gz OJOMNVPLWHVAPS-UHFFFAOYSA-N 1 0 347.418 2.673 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444619619 250318480 /nfs/dbraw/zinc/31/84/80/250318480.db2.gz YTVFCWAGECVTHB-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000444640162 250322275 /nfs/dbraw/zinc/32/22/75/250322275.db2.gz NHJSYFDIZZHEMH-CQSZACIVSA-N 1 0 343.431 2.921 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000267157953 250782907 /nfs/dbraw/zinc/78/29/07/250782907.db2.gz DWTMQKQZUIGEJS-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448859808 250824942 /nfs/dbraw/zinc/82/49/42/250824942.db2.gz NBGLYNBZSQUUBK-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449097040 250915107 /nfs/dbraw/zinc/91/51/07/250915107.db2.gz KMXHRCHVIWAPDS-DOTOQJQBSA-N 1 0 344.411 2.864 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000367203078 284843792 /nfs/dbraw/zinc/84/37/92/284843792.db2.gz BPZFEAPNFGLJHF-IKGGRYGDSA-N 1 0 329.400 2.715 20 5 EFBDRO Cc1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000449140686 250930307 /nfs/dbraw/zinc/93/03/07/250930307.db2.gz JTYXLLPSNKSWLM-GOSISDBHSA-N 1 0 325.368 2.773 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174521156 207025535 /nfs/dbraw/zinc/02/55/35/207025535.db2.gz HTPHGQXFHJHXSH-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000174646203 207041008 /nfs/dbraw/zinc/04/10/08/207041008.db2.gz HLEKYPMOPSHYHD-UHFFFAOYSA-N 1 0 325.434 2.535 20 5 EFBDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174663902 207044436 /nfs/dbraw/zinc/04/44/36/207044436.db2.gz PWAQCZOZUKITNQ-IAGOWNOFSA-N 1 0 332.404 2.529 20 5 EFBDRO COc1nccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373559 251001444 /nfs/dbraw/zinc/00/14/44/251001444.db2.gz RYORVFKZNFDYOU-CJNGLKHVSA-N 1 0 342.399 2.894 20 5 EFBDRO CN(C)C(=O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449461989 251033886 /nfs/dbraw/zinc/03/38/86/251033886.db2.gz RGOIITVGXHHLDZ-NTMALXAHSA-N 1 0 331.416 2.989 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449477933 251040993 /nfs/dbraw/zinc/04/09/93/251040993.db2.gz XLWKEVFMOQSBCZ-BRWVUGGUSA-N 1 0 348.399 2.587 20 5 EFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1O ZINC000449508388 251047761 /nfs/dbraw/zinc/04/77/61/251047761.db2.gz HDYLYADBYDVHBV-SUMWQHHRSA-N 1 0 340.420 2.688 20 5 EFBDRO Cc1ccncc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449519724 251051571 /nfs/dbraw/zinc/05/15/71/251051571.db2.gz CKKJSPFVXBCOBB-ZDUSSCGKSA-N 1 0 328.372 2.805 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000267433721 251053078 /nfs/dbraw/zinc/05/30/78/251053078.db2.gz XJQWNSZLSZPRBP-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424110 251044818 /nfs/dbraw/zinc/04/48/18/251044818.db2.gz LCTQRDOTDFIJFC-BBRMVZONSA-N 1 0 337.420 2.567 20 5 EFBDRO COCCn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449503105 251045964 /nfs/dbraw/zinc/04/59/64/251045964.db2.gz STPFHSXOGFMPNY-KRWDZBQOSA-N 1 0 344.415 2.817 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445364 251063076 /nfs/dbraw/zinc/06/30/76/251063076.db2.gz PYESYUNBOHTNTN-CABZTGNLSA-N 1 0 333.310 2.703 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1O ZINC000449570658 251069937 /nfs/dbraw/zinc/06/99/37/251069937.db2.gz IEJWSLIZWPFOFG-HUUCEWRRSA-N 1 0 334.397 2.515 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000449579276 251071920 /nfs/dbraw/zinc/07/19/20/251071920.db2.gz ZJGCUFLYIUKWSF-HNNXBMFYSA-N 1 0 341.411 2.740 20 5 EFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449639157 251089741 /nfs/dbraw/zinc/08/97/41/251089741.db2.gz OBIZKXWVFNQVKV-HOTGVXAUSA-N 1 0 332.404 2.634 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449624934 251084658 /nfs/dbraw/zinc/08/46/58/251084658.db2.gz AFTBKPVCKVWVPW-QFSBIZTOSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267473356 251091103 /nfs/dbraw/zinc/09/11/03/251091103.db2.gz YPTFUYFUQWCUNC-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@H]1CCOC1 ZINC000449684859 251115552 /nfs/dbraw/zinc/11/55/52/251115552.db2.gz QLCPTERJOZWSPQ-KBPBESRZSA-N 1 0 335.404 2.718 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175441703 207127832 /nfs/dbraw/zinc/12/78/32/207127832.db2.gz DGVJEQQJRWNEJN-QWRGUYRKSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1cccnc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449750565 251141488 /nfs/dbraw/zinc/14/14/88/251141488.db2.gz VNWZRSIPVOONHL-GFCCVEGCSA-N 1 0 344.371 2.505 20 5 EFBDRO COc1cccnc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449750566 251141614 /nfs/dbraw/zinc/14/16/14/251141614.db2.gz VNWZRSIPVOONHL-LBPRGKRZSA-N 1 0 344.371 2.505 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449753744 251142321 /nfs/dbraw/zinc/14/23/21/251142321.db2.gz HMHMADABSMKYEZ-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000267724372 251288504 /nfs/dbraw/zinc/28/85/04/251288504.db2.gz MDRXCMLQFZJEOM-IMJJTQAJSA-N 1 0 346.431 2.890 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000176204225 207200304 /nfs/dbraw/zinc/20/03/04/207200304.db2.gz XWZKULZKEBXJII-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO C[C@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000176248972 207207366 /nfs/dbraw/zinc/20/73/66/207207366.db2.gz NCHZRXPUXSLAQR-CZUORRHYSA-N 1 0 332.429 2.970 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000176270794 207209728 /nfs/dbraw/zinc/20/97/28/207209728.db2.gz HYXGEPCFAZNNTJ-CQSZACIVSA-N 1 0 332.429 2.906 20 5 EFBDRO C[NH+](C)[C@]1(CNc2nccc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000450361644 251359637 /nfs/dbraw/zinc/35/96/37/251359637.db2.gz DEIUEFRJBPMPNJ-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450368209 251361328 /nfs/dbraw/zinc/36/13/28/251361328.db2.gz FPKPMDZRQSXFQB-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO Cc1nc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450491220 251398260 /nfs/dbraw/zinc/39/82/60/251398260.db2.gz OBFWSXZGKBQOEE-CYBMUJFWSA-N 1 0 329.360 2.822 20 5 EFBDRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000176674139 207248960 /nfs/dbraw/zinc/24/89/60/207248960.db2.gz TXAJHULUKGIDTF-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000176749436 207256047 /nfs/dbraw/zinc/25/60/47/207256047.db2.gz AMUIEFMMCSRLDY-IMJJTQAJSA-N 1 0 346.431 2.842 20 5 EFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451258837 251501221 /nfs/dbraw/zinc/50/12/21/251501221.db2.gz RXHSQAMAPZUCKT-HOCLYGCPSA-N 1 0 345.399 2.885 20 5 EFBDRO C[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177066963 207290224 /nfs/dbraw/zinc/29/02/24/207290224.db2.gz CPETZGZKCBAQEP-UHFFFAOYSA-N 1 0 337.376 2.657 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177186462 207302992 /nfs/dbraw/zinc/30/29/92/207302992.db2.gz LXQZNFCZYIJVNF-BXUZGUMPSA-N 1 0 344.415 2.524 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177496946 207343928 /nfs/dbraw/zinc/34/39/28/207343928.db2.gz QMVOCQQYIGOHKO-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000177571455 207356249 /nfs/dbraw/zinc/35/62/49/207356249.db2.gz SZFACJNAAYNSOZ-OCCSQVGLSA-N 1 0 337.445 2.676 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177596508 207361803 /nfs/dbraw/zinc/36/18/03/207361803.db2.gz KGYVBRHHCOGDDY-QWHCGFSZSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453302625 252030681 /nfs/dbraw/zinc/03/06/81/252030681.db2.gz DTABLAGMRQXVDV-OLZOCXBDSA-N 1 0 335.433 2.872 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000453627735 252056445 /nfs/dbraw/zinc/05/64/45/252056445.db2.gz MRNFECLQLDPAGB-QGZVFWFLSA-N 1 0 344.411 2.913 20 5 EFBDRO Cc1noc(CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000268702599 252153875 /nfs/dbraw/zinc/15/38/75/252153875.db2.gz VNYSRDMOCSPERT-UHFFFAOYSA-N 1 0 346.387 2.762 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000454290180 252202753 /nfs/dbraw/zinc/20/27/53/252202753.db2.gz NBXYXWNISHPSGN-INIZCTEOSA-N 1 0 348.447 2.905 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177763516 207392440 /nfs/dbraw/zinc/39/24/40/207392440.db2.gz BHTKDPNZXAGAOD-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000454353116 252230068 /nfs/dbraw/zinc/23/00/68/252230068.db2.gz BUVZBQOSCRFYOH-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCSCC1)C1CC1 ZINC000268852884 252299950 /nfs/dbraw/zinc/29/99/50/252299950.db2.gz DAFAUZGXZCEXGK-INIZCTEOSA-N 1 0 335.473 2.554 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178819462 207536573 /nfs/dbraw/zinc/53/65/73/207536573.db2.gz YPJWIQUOLRGUIQ-NWDGAFQWSA-N 1 0 337.445 2.661 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000179061376 207570024 /nfs/dbraw/zinc/57/00/24/207570024.db2.gz JUATVLAYNLPFFR-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266265226 285083145 /nfs/dbraw/zinc/08/31/45/285083145.db2.gz QAUDMUKXBCYEOP-LBPRGKRZSA-N 1 0 338.205 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000262085185 285116057 /nfs/dbraw/zinc/11/60/57/285116057.db2.gz UERFPEIOZFUEHG-MRXNPFEDSA-N 1 0 332.791 2.790 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([NH+]4CCCC4)CC3)c21 ZINC000357338233 285158708 /nfs/dbraw/zinc/15/87/08/285158708.db2.gz QFLHXBJOIUGTBL-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)o1 ZINC000414557383 285159093 /nfs/dbraw/zinc/15/90/93/285159093.db2.gz NNVQSSWVUKFEIH-XJKSGUPXSA-N 1 0 346.383 2.732 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000154212827 224219882 /nfs/dbraw/zinc/21/98/82/224219882.db2.gz HYPJJPPHYWRIDG-KGLIPLIRSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[C@H]21 ZINC000268972609 255506767 /nfs/dbraw/zinc/50/67/67/255506767.db2.gz AUHDCOMYQGYAPX-UKRRQHHQSA-N 1 0 342.399 2.632 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454650818 255575319 /nfs/dbraw/zinc/57/53/19/255575319.db2.gz UVSAGJFRXGZJIJ-ZBFHGGJFSA-N 1 0 348.447 2.824 20 5 EFBDRO CC(C)(C)OCCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459510413 255889057 /nfs/dbraw/zinc/88/90/57/255889057.db2.gz OKIZVZYDUXJTMK-UHFFFAOYSA-N 1 0 336.436 2.707 20 5 EFBDRO CN(C)CC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459547991 255896509 /nfs/dbraw/zinc/89/65/09/255896509.db2.gz KYUMCWVIAYFSNR-UHFFFAOYSA-N 1 0 332.404 2.722 20 5 EFBDRO C[NH+](C)CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000468022833 256013395 /nfs/dbraw/zinc/01/33/95/256013395.db2.gz RVRUOIAXAXAOGE-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC2)C1 ZINC000186951287 533224343 /nfs/dbraw/zinc/22/43/43/533224343.db2.gz SDFKTUUKXGYQPS-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C(C)(C)O1 ZINC000119720459 221385400 /nfs/dbraw/zinc/38/54/00/221385400.db2.gz WKDFMEQZANSQDJ-LSDHHAIUSA-N 1 0 347.415 2.636 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C(C)(C)O1 ZINC000119719994 221385460 /nfs/dbraw/zinc/38/54/60/221385460.db2.gz WKDFMEQZANSQDJ-CABCVRRESA-N 1 0 347.415 2.636 20 5 EFBDRO Cn1cc(C[NH2+]CCc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338712771 141665251 /nfs/dbraw/zinc/66/52/51/141665251.db2.gz GNXPEURCGRTPOX-UHFFFAOYSA-N 1 0 326.356 2.921 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000341588071 141835409 /nfs/dbraw/zinc/83/54/09/141835409.db2.gz PVVKLIRKBKFQEA-CABCVRRESA-N 1 0 341.411 2.993 20 5 EFBDRO NC(=O)c1cccc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000341931909 141891523 /nfs/dbraw/zinc/89/15/23/141891523.db2.gz RQBGVXGEXXCVHF-UHFFFAOYSA-N 1 0 346.431 2.760 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343385976 141985618 /nfs/dbraw/zinc/98/56/18/141985618.db2.gz MBXDKJQLIMUKPK-JSGCOSHPSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343391335 141986856 /nfs/dbraw/zinc/98/68/56/141986856.db2.gz UHUOZLHVRUKNFO-MLGOLLRUSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1C ZINC000343452122 142000402 /nfs/dbraw/zinc/00/04/02/142000402.db2.gz RCLQQNKREGUWGQ-HIFRSBDPSA-N 1 0 346.431 2.752 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344429225 142015313 /nfs/dbraw/zinc/01/53/13/142015313.db2.gz REUREEBKWHVYAZ-TXEJJXNPSA-N 1 0 337.445 2.871 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344473468 142023375 /nfs/dbraw/zinc/02/33/75/142023375.db2.gz LRGZWWACCSLDKE-YIKOMLBNSA-N 1 0 335.404 2.571 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)s1 ZINC000344489075 142026529 /nfs/dbraw/zinc/02/65/29/142026529.db2.gz ZCLHGRPCHRDNBS-BLLLJJGKSA-N 1 0 348.424 2.810 20 5 EFBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000344740292 142070860 /nfs/dbraw/zinc/07/08/60/142070860.db2.gz LIMZSXZSBKIJJF-CYBMUJFWSA-N 1 0 349.406 2.609 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000344743611 142071454 /nfs/dbraw/zinc/07/14/54/142071454.db2.gz FOTXIKDMRHEHGG-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CC(=O)N1CCC(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344873604 142090171 /nfs/dbraw/zinc/09/01/71/142090171.db2.gz MTGDSMUTFUDGRW-UVTDQMKNSA-N 1 0 331.416 2.846 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000344907945 142096163 /nfs/dbraw/zinc/09/61/63/142096163.db2.gz XWCICNZUVXTQQP-WMHVBEDNSA-N 1 0 332.400 2.926 20 5 EFBDRO Cn1cc(C[NH2+]Cc2ccc(F)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344918075 142097295 /nfs/dbraw/zinc/09/72/95/142097295.db2.gz LLCURNDMIGVONA-UHFFFAOYSA-N 1 0 341.346 2.819 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345907686 142116071 /nfs/dbraw/zinc/11/60/71/142116071.db2.gz OENCTROGRZMJEF-OLZOCXBDSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345907691 142116287 /nfs/dbraw/zinc/11/62/87/142116287.db2.gz OENCTROGRZMJEF-STQMWFEESA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345931597 142119656 /nfs/dbraw/zinc/11/96/56/142119656.db2.gz WZJCKIDKTUULPD-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345937063 142120559 /nfs/dbraw/zinc/12/05/59/142120559.db2.gz BMTUFHGPRLSIJP-STQMWFEESA-N 1 0 346.431 2.724 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000345938406 142120648 /nfs/dbraw/zinc/12/06/48/142120648.db2.gz BXWSKZKDCCKEPY-NEPJUHHUSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345975095 142127139 /nfs/dbraw/zinc/12/71/39/142127139.db2.gz XVNALAUNHQNWLS-HUUCEWRRSA-N 1 0 348.447 2.728 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000346079487 142144325 /nfs/dbraw/zinc/14/43/25/142144325.db2.gz FFHXGQFNRLSESB-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346152981 142156188 /nfs/dbraw/zinc/15/61/88/142156188.db2.gz FKUFKWURNFBULZ-HWWQOWPSSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346165843 142158719 /nfs/dbraw/zinc/15/87/19/142158719.db2.gz RHIPCYWWIWVWKC-SUYBPPKGSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346165840 142159135 /nfs/dbraw/zinc/15/91/35/142159135.db2.gz RHIPCYWWIWVWKC-HACGYAERSA-N 1 0 331.416 2.706 20 5 EFBDRO CCc1cnc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000346195199 142165344 /nfs/dbraw/zinc/16/53/44/142165344.db2.gz HJEWVLJAAVAWHJ-NSHDSACASA-N 1 0 333.417 2.695 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346221399 142170473 /nfs/dbraw/zinc/17/04/73/142170473.db2.gz LLCDIQICSVKCKE-LLVKDONJSA-N 1 0 325.434 2.775 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347426568 142214359 /nfs/dbraw/zinc/21/43/59/142214359.db2.gz BUOQVRGWQBAWGY-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H]1CCC[C@](CNc2ncnc3cccc([N+](=O)[O-])c32)([NH+](C)C)C1 ZINC000347430139 142215330 /nfs/dbraw/zinc/21/53/30/142215330.db2.gz NAFGUXUMHVCVAO-ACJLOTCBSA-N 1 0 343.431 2.882 20 5 EFBDRO O=[N+]([O-])c1ccn(CCN(CC[NH+]2CCCCCC2)C2CCC2)n1 ZINC000347466070 142221687 /nfs/dbraw/zinc/22/16/87/142221687.db2.gz CTAUEZHBOCNDTO-UHFFFAOYSA-N 1 0 335.452 2.522 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000347555523 142235227 /nfs/dbraw/zinc/23/52/27/142235227.db2.gz KSGFOSMCVVVHCX-GFCCVEGCSA-N 1 0 344.371 2.596 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347664029 142253255 /nfs/dbraw/zinc/25/32/55/142253255.db2.gz OQRQNFWIHYYADC-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347687120 142256697 /nfs/dbraw/zinc/25/66/97/142256697.db2.gz TUYAZLIQDLKODN-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000347698717 142258673 /nfs/dbraw/zinc/25/86/73/142258673.db2.gz IVIWJPLHJOHCKE-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000347884630 142286888 /nfs/dbraw/zinc/28/68/88/142286888.db2.gz WZSNLOJJGDROFI-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+](C)Cc1ccccc1 ZINC000349563216 142337602 /nfs/dbraw/zinc/33/76/02/142337602.db2.gz HIAFQAXABGNGDQ-CYBMUJFWSA-N 1 0 330.388 2.563 20 5 EFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000349800265 142360751 /nfs/dbraw/zinc/36/07/51/142360751.db2.gz NTARWRAVDOTHCM-UHFFFAOYSA-N 1 0 343.387 2.802 20 5 EFBDRO CCOCC[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000349855195 142368258 /nfs/dbraw/zinc/36/82/58/142368258.db2.gz RUJHOECIAWSLHX-UHFFFAOYSA-N 1 0 335.448 2.872 20 5 EFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000350039514 142393738 /nfs/dbraw/zinc/39/37/38/142393738.db2.gz IDMSNYCSDGSMHP-CVEARBPZSA-N 1 0 336.436 2.851 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449455926 285785453 /nfs/dbraw/zinc/78/54/53/285785453.db2.gz CZMAHWSFTIBBGM-VYCZESIESA-N 1 0 348.443 2.947 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339758580 144840565 /nfs/dbraw/zinc/84/05/65/144840565.db2.gz MDXHFKQEXBENQF-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341185752 145007766 /nfs/dbraw/zinc/00/77/66/145007766.db2.gz BCTSWVSOTIPZKN-HNNXBMFYSA-N 1 0 343.383 2.555 20 5 EFBDRO CC[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000341317824 145032193 /nfs/dbraw/zinc/03/21/93/145032193.db2.gz LXGJFUMZGGIJAP-UHFFFAOYSA-N 1 0 342.827 2.778 20 5 EFBDRO CN(C)C(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000341446696 145053801 /nfs/dbraw/zinc/05/38/01/145053801.db2.gz BPKBBEQJVNWRHC-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000342177766 145075764 /nfs/dbraw/zinc/07/57/64/145075764.db2.gz WSNNDLVCWKSKAK-MRXNPFEDSA-N 1 0 334.420 2.616 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000342208858 145080668 /nfs/dbraw/zinc/08/06/68/145080668.db2.gz NZTWMSLOMRKLDC-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000342235126 145084897 /nfs/dbraw/zinc/08/48/97/145084897.db2.gz IOHUXANZKMEBCP-DZGCQCFKSA-N 1 0 330.388 2.586 20 5 EFBDRO CCC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000342340221 145104047 /nfs/dbraw/zinc/10/40/47/145104047.db2.gz HOSYNFISHQLGOC-UHFFFAOYSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1ccsc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342345834 145105432 /nfs/dbraw/zinc/10/54/32/145105432.db2.gz PNYNMSPQIKTLDJ-CYBMUJFWSA-N 1 0 336.413 2.836 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000342347680 145106416 /nfs/dbraw/zinc/10/64/16/145106416.db2.gz KKBGGPJVTYCGQB-UHFFFAOYSA-N 1 0 325.434 2.729 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342361671 145108500 /nfs/dbraw/zinc/10/85/00/145108500.db2.gz LRWJQUMSDWSMKB-BLLLJJGKSA-N 1 0 346.431 2.612 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342446524 145128028 /nfs/dbraw/zinc/12/80/28/145128028.db2.gz SCWPRQHWWWAAGI-UONOGXRCSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000342592928 145155093 /nfs/dbraw/zinc/15/50/93/145155093.db2.gz JMBXWHOKXQPQKH-OLZOCXBDSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342601953 145156966 /nfs/dbraw/zinc/15/69/66/145156966.db2.gz LAXGYIVQMYNIEL-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342650348 145166004 /nfs/dbraw/zinc/16/60/04/145166004.db2.gz HQUFVXWWYJVUGJ-YGRLFVJLSA-N 1 0 340.811 2.530 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000342655659 145167476 /nfs/dbraw/zinc/16/74/76/145167476.db2.gz NCZFBUODTBJLRJ-PWSUYJOCSA-N 1 0 340.811 2.530 20 5 EFBDRO NC(=O)c1cccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000342786363 145193156 /nfs/dbraw/zinc/19/31/56/145193156.db2.gz MCHRHLCKRPVKBB-UHFFFAOYSA-N 1 0 332.404 2.513 20 5 EFBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000342788651 145193913 /nfs/dbraw/zinc/19/39/13/145193913.db2.gz PFGAWAJYPPZGJD-INIZCTEOSA-N 1 0 343.431 2.819 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000342800781 145196573 /nfs/dbraw/zinc/19/65/73/145196573.db2.gz ZBAKUIJDZLDQTM-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000342802467 145196641 /nfs/dbraw/zinc/19/66/41/145196641.db2.gz MRWIOHPZNCJCHA-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342889750 145215908 /nfs/dbraw/zinc/21/59/08/145215908.db2.gz ZMEMNAVJDVGIEJ-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000343563507 145239274 /nfs/dbraw/zinc/23/92/74/145239274.db2.gz ZMSCVGHZUXCLPN-DLBZAZTESA-N 1 0 342.395 2.652 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000343581213 145244780 /nfs/dbraw/zinc/24/47/80/145244780.db2.gz WKDWJIOFWNYPIT-AWEZNQCLSA-N 1 0 337.445 2.678 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000343587755 145246159 /nfs/dbraw/zinc/24/61/59/145246159.db2.gz DTFMHCXPDWRWJV-UHFFFAOYSA-N 1 0 346.431 2.664 20 5 EFBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343598877 145248537 /nfs/dbraw/zinc/24/85/37/145248537.db2.gz IHSTUYFIEBLRFR-CJNGLKHVSA-N 1 0 341.415 2.677 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CCC(C[NH3+])CC2)c1 ZINC000343637026 145258630 /nfs/dbraw/zinc/25/86/30/145258630.db2.gz YYGUXRZIBKPHDI-UHFFFAOYSA-N 1 0 337.445 2.812 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000343763614 145288500 /nfs/dbraw/zinc/28/85/00/145288500.db2.gz GWTDYEYYTISNNY-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000343886638 145317107 /nfs/dbraw/zinc/31/71/07/145317107.db2.gz KFLJBRGEEZRQIN-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000344209298 145393666 /nfs/dbraw/zinc/39/36/66/145393666.db2.gz AWGFSJWGDVDSGC-OAHLLOKOSA-N 1 0 348.447 2.708 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000344209942 145393688 /nfs/dbraw/zinc/39/36/88/145393688.db2.gz KBROGVVUOBLIFR-SJKOYZFVSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344223718 145395940 /nfs/dbraw/zinc/39/59/40/145395940.db2.gz RBXXAQGMTMPXBA-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000344316957 145420086 /nfs/dbraw/zinc/42/00/86/145420086.db2.gz KQKBRVMIGVVVEY-JKSUJKDBSA-N 1 0 336.338 2.922 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344422551 145444496 /nfs/dbraw/zinc/44/44/96/145444496.db2.gz HIPJNOUNUPLXGF-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO Cc1cccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000355210286 146892481 /nfs/dbraw/zinc/89/24/81/146892481.db2.gz BIHAMZYRVZDLBN-AWEZNQCLSA-N 1 0 342.399 2.848 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000347120057 145794391 /nfs/dbraw/zinc/79/43/91/145794391.db2.gz VHQPHLHJWOMKFT-SNVBAGLBSA-N 1 0 329.347 2.755 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000347271716 145828512 /nfs/dbraw/zinc/82/85/12/145828512.db2.gz SAXZVVZNXMZZIJ-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348474379 145953796 /nfs/dbraw/zinc/95/37/96/145953796.db2.gz BHFKFXJVBVVTPW-NUEKZKHPSA-N 1 0 340.445 2.598 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000348519396 145961751 /nfs/dbraw/zinc/96/17/51/145961751.db2.gz CJTSKZGOZJPCQE-SJORKVTESA-N 1 0 330.388 2.519 20 5 EFBDRO [NH3+]CCN(Cc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000348897636 146021359 /nfs/dbraw/zinc/02/13/59/146021359.db2.gz WILYXXBSOVWCMW-UHFFFAOYSA-N 1 0 325.290 2.977 20 5 EFBDRO [NH3+]CCN(Cc1cc(F)c(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348905074 146022263 /nfs/dbraw/zinc/02/22/63/146022263.db2.gz PRXKBTQGCXUPIV-UHFFFAOYSA-N 1 0 325.290 2.977 20 5 EFBDRO CCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1OC ZINC000348937296 146026912 /nfs/dbraw/zinc/02/69/12/146026912.db2.gz VJYJSLNZDCMELT-UHFFFAOYSA-N 1 0 345.399 2.967 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2C1 ZINC000349054661 146043948 /nfs/dbraw/zinc/04/39/48/146043948.db2.gz GIAOISTZYAETCO-GFCCVEGCSA-N 1 0 346.774 2.712 20 5 EFBDRO CCc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349063014 146045566 /nfs/dbraw/zinc/04/55/66/146045566.db2.gz YAWGEBUMCJONJI-AWEZNQCLSA-N 1 0 340.383 2.621 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000349108383 146053955 /nfs/dbraw/zinc/05/39/55/146053955.db2.gz LRXNSTWADLXBGW-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2Cc3ccccc3O2)n1 ZINC000351525493 146138531 /nfs/dbraw/zinc/13/85/31/146138531.db2.gz SVTWJGRNDIFDGP-HRCADAONSA-N 1 0 342.399 2.868 20 5 EFBDRO Cc1c(Br)c(N(C)CC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000351586640 146152794 /nfs/dbraw/zinc/15/27/94/146152794.db2.gz NIMBBOVEQNHNHL-UHFFFAOYSA-N 1 0 343.225 2.591 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351609790 146157922 /nfs/dbraw/zinc/15/79/22/146157922.db2.gz MLIGQGQYXVEVKP-GFCCVEGCSA-N 1 0 338.383 2.930 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351660597 146170600 /nfs/dbraw/zinc/17/06/00/146170600.db2.gz BNYLTPIQURADML-VNHYZAJKSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744748 146192793 /nfs/dbraw/zinc/19/27/93/146192793.db2.gz XCIHQYYXDXASGC-ABAIWWIYSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352109341 146291971 /nfs/dbraw/zinc/29/19/71/146291971.db2.gz HJKDCGQICDAXCP-DZGCQCFKSA-N 1 0 342.399 2.563 20 5 EFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844043 146331366 /nfs/dbraw/zinc/33/13/66/146331366.db2.gz ABEQLEMRWKRNDV-PKOBYXMFSA-N 1 0 339.395 2.895 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000352846540 146331894 /nfs/dbraw/zinc/33/18/94/146331894.db2.gz ABWVWFQSFBPIFN-NZSAHSFTSA-N 1 0 342.395 2.671 20 5 EFBDRO Cc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000352871110 146336852 /nfs/dbraw/zinc/33/68/52/146336852.db2.gz ABZYGOICTLCVAS-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO COc1cc2c(cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OCO2 ZINC000353156335 146410360 /nfs/dbraw/zinc/41/03/60/146410360.db2.gz RSPAMOOGRPAVKL-UHFFFAOYSA-N 1 0 330.340 2.664 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000353357395 146457727 /nfs/dbraw/zinc/45/77/27/146457727.db2.gz VQAPSABCRREOGK-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO CCn1cc(C[N@H+](CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000355536062 146988670 /nfs/dbraw/zinc/98/86/70/146988670.db2.gz UKOWMYPQOHMGQD-OQLLNIDSSA-N 1 0 344.415 2.709 20 5 EFBDRO CCn1ncnc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000355578749 147002199 /nfs/dbraw/zinc/00/21/99/147002199.db2.gz FVQWBMFSDUJFPI-HIFRSBDPSA-N 1 0 329.404 2.707 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355765155 147056556 /nfs/dbraw/zinc/05/65/56/147056556.db2.gz YBPPSHRZJQPICH-STQMWFEESA-N 1 0 336.388 2.767 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355765151 147056739 /nfs/dbraw/zinc/05/67/39/147056739.db2.gz YBPPSHRZJQPICH-OLZOCXBDSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000355860941 147085348 /nfs/dbraw/zinc/08/53/48/147085348.db2.gz IKYZKWDJRXNEMF-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000356081822 147141493 /nfs/dbraw/zinc/14/14/93/147141493.db2.gz OWQLEIFWYDALIB-VHSXEESVSA-N 1 0 326.784 2.805 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000356081815 147141931 /nfs/dbraw/zinc/14/19/31/147141931.db2.gz OWQLEIFWYDALIB-UWVGGRQHSA-N 1 0 326.784 2.805 20 5 EFBDRO COc1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000356188029 147171022 /nfs/dbraw/zinc/17/10/22/147171022.db2.gz CQWCQWZQDYADGS-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000356612161 147291057 /nfs/dbraw/zinc/29/10/57/147291057.db2.gz RGBBGJKTLHRZFN-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000356860459 147356524 /nfs/dbraw/zinc/35/65/24/147356524.db2.gz DCACKQDPHYEPAJ-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358584021 147844906 /nfs/dbraw/zinc/84/49/06/147844906.db2.gz PTLWRXLVPCQYIP-KGLIPLIRSA-N 1 0 348.447 2.823 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000359461785 148091354 /nfs/dbraw/zinc/09/13/54/148091354.db2.gz FJUZTFUQHOSMJU-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000359477503 148096674 /nfs/dbraw/zinc/09/66/74/148096674.db2.gz BGACVFUIZVXSLM-WFASDCNBSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359477499 148097165 /nfs/dbraw/zinc/09/71/65/148097165.db2.gz BGACVFUIZVXSLM-DOMZBBRYSA-N 1 0 349.431 2.857 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359613602 148139715 /nfs/dbraw/zinc/13/97/15/148139715.db2.gz RNDOAAPSCSFHGF-OAHLLOKOSA-N 1 0 347.415 2.580 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000359645325 148150048 /nfs/dbraw/zinc/15/00/48/148150048.db2.gz LMUALIALUVHCTE-QGZVFWFLSA-N 1 0 332.356 2.750 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359779026 148186934 /nfs/dbraw/zinc/18/69/34/148186934.db2.gz SWPVXBPQLCOISG-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000360073504 148264501 /nfs/dbraw/zinc/26/45/01/148264501.db2.gz OXLNPPMDURIWGZ-UHFFFAOYSA-N 1 0 348.378 2.990 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000360124827 148278081 /nfs/dbraw/zinc/27/80/81/148278081.db2.gz MMUFJPHHYMEOTH-AWEZNQCLSA-N 1 0 348.447 2.998 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000360175257 148291733 /nfs/dbraw/zinc/29/17/33/148291733.db2.gz SMVDVDXNHXXLCI-UHFFFAOYSA-N 1 0 337.420 2.936 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360229258 148305344 /nfs/dbraw/zinc/30/53/44/148305344.db2.gz ZYWXFIUHLUUBHN-GJZGRUSLSA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000360229257 148305392 /nfs/dbraw/zinc/30/53/92/148305392.db2.gz ZYWXFIUHLUUBHN-CABCVRRESA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1ccnc(NCCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000360278108 148317874 /nfs/dbraw/zinc/31/78/74/148317874.db2.gz HJYRZTFYTDULSM-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360526760 148383558 /nfs/dbraw/zinc/38/35/58/148383558.db2.gz VWXSIGZKKCKYFX-UHFFFAOYSA-N 1 0 339.461 2.594 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000361221864 148573872 /nfs/dbraw/zinc/57/38/72/148573872.db2.gz UHIICXWCYZWIMX-KRWDZBQOSA-N 1 0 347.459 2.964 20 5 EFBDRO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000364071129 149060910 /nfs/dbraw/zinc/06/09/10/149060910.db2.gz KXTWMURCJIQZBX-QGZVFWFLSA-N 1 0 332.448 2.508 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364174580 149084943 /nfs/dbraw/zinc/08/49/43/149084943.db2.gz WFADZBAOJVKEDI-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000364304441 149120042 /nfs/dbraw/zinc/12/00/42/149120042.db2.gz KJBIMOUEKJSOMY-QGPMSJSTSA-N 1 0 334.416 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000364311675 149122101 /nfs/dbraw/zinc/12/21/01/149122101.db2.gz WUAFRWVRJCAEAR-AOIWGVFYSA-N 1 0 346.427 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)o1 ZINC000364506982 149171060 /nfs/dbraw/zinc/17/10/60/149171060.db2.gz HLDOORSJDGNNBT-CYBMUJFWSA-N 1 0 339.355 2.893 20 5 EFBDRO CCOc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000364559574 149184880 /nfs/dbraw/zinc/18/48/80/149184880.db2.gz MCDGXYAWNXEZSZ-UHFFFAOYSA-N 1 0 347.415 2.599 20 5 EFBDRO COc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc([N+](=O)[O-])c1C ZINC000365077956 149312220 /nfs/dbraw/zinc/31/22/20/149312220.db2.gz QLQKMXWLFGBZHF-UHFFFAOYSA-N 1 0 347.415 2.612 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000368490390 150131459 /nfs/dbraw/zinc/13/14/59/150131459.db2.gz ALURRKUHVONURR-HNNXBMFYSA-N 1 0 325.368 2.683 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000368686352 150181674 /nfs/dbraw/zinc/18/16/74/150181674.db2.gz WEKDNUDUZXOVQV-ZBFHGGJFSA-N 1 0 346.431 2.844 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000368711540 150187696 /nfs/dbraw/zinc/18/76/96/150187696.db2.gz FUKYDNVYXJJNRP-IBGZPJMESA-N 1 0 337.379 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3C3CC3)co2)cc1 ZINC000368903390 150233063 /nfs/dbraw/zinc/23/30/63/150233063.db2.gz GJXDLPHJZNEHBZ-JKSUJKDBSA-N 1 0 329.356 2.907 20 5 EFBDRO Cc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccn2)cc1 ZINC000369304109 150324717 /nfs/dbraw/zinc/32/47/17/150324717.db2.gz XTHZUHOIPLRVCW-GOSISDBHSA-N 1 0 337.383 2.874 20 5 EFBDRO Cc1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] ZINC000372414234 151000481 /nfs/dbraw/zinc/00/04/81/151000481.db2.gz YVZCPBLRSFRWCE-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000372785901 151062575 /nfs/dbraw/zinc/06/25/75/151062575.db2.gz VYAQLYNHSYYISK-UKRRQHHQSA-N 1 0 329.404 2.566 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374061167 151277812 /nfs/dbraw/zinc/27/78/12/151277812.db2.gz KXUFYBMJBZCJML-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000374076160 151280312 /nfs/dbraw/zinc/28/03/12/151280312.db2.gz ZTQSVEAXILMGMB-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000374129940 151288454 /nfs/dbraw/zinc/28/84/54/151288454.db2.gz IQYQERBKYNSJTA-UHFFFAOYSA-N 1 0 346.387 2.585 20 5 EFBDRO COc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000374137269 151289770 /nfs/dbraw/zinc/28/97/70/151289770.db2.gz TVCWRQMGXVHVNP-LJQANCHMSA-N 1 0 342.395 2.917 20 5 EFBDRO C[N@@H+]1CCCC12CCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000374628763 151384576 /nfs/dbraw/zinc/38/45/76/151384576.db2.gz ZNCSGDRJQVHFGD-UHFFFAOYSA-N 1 0 330.388 2.796 20 5 EFBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000378170437 152024593 /nfs/dbraw/zinc/02/45/93/152024593.db2.gz SCOKGWWOOAAOQC-RHSMWYFYSA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1sc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306537 152052953 /nfs/dbraw/zinc/05/29/53/152052953.db2.gz LEWLQCYBOISFOQ-UONOGXRCSA-N 1 0 345.424 2.792 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000408072383 152149227 /nfs/dbraw/zinc/14/92/27/152149227.db2.gz RWVZGNJQJNIBEW-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000408148334 152156371 /nfs/dbraw/zinc/15/63/71/152156371.db2.gz BQORNWZPLVBHDB-MCIONIFRSA-N 1 0 346.431 2.654 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000408331330 152177485 /nfs/dbraw/zinc/17/74/85/152177485.db2.gz QQKAQEGZPVYLQG-RDJZCZTQSA-N 1 0 346.431 2.529 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000186721517 286730347 /nfs/dbraw/zinc/73/03/47/286730347.db2.gz OCFPIUGZFUDIDL-VXGBXAGGSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639587 286833391 /nfs/dbraw/zinc/83/33/91/286833391.db2.gz GKGPXUDHXUYYSM-LBPRGKRZSA-N 1 0 332.404 2.766 20 5 EFBDRO CC[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000245516338 287210414 /nfs/dbraw/zinc/21/04/14/287210414.db2.gz FUVLGVOVVQUHBN-ARFHVFGLSA-N 1 0 335.448 2.741 20 5 EFBDRO Cc1c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000114189609 544570693 /nfs/dbraw/zinc/57/06/93/544570693.db2.gz NESURPOTBFOQSN-GOSISDBHSA-N 1 0 344.411 2.913 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051183165 292636000 /nfs/dbraw/zinc/63/60/00/292636000.db2.gz ZYHPTVTXXVGBQB-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054644243 292650603 /nfs/dbraw/zinc/65/06/03/292650603.db2.gz MNPVZHOKYAQBAE-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO Cn1cc(C[NH2+]CC2(CO)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185807878 265049588 /nfs/dbraw/zinc/04/95/88/265049588.db2.gz YFJQXJLNGHUYPL-UHFFFAOYSA-N 1 0 344.415 2.638 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000186448064 265066933 /nfs/dbraw/zinc/06/69/33/265066933.db2.gz MSKSALBVJLXZEY-DZGCQCFKSA-N 1 0 335.404 2.736 20 5 EFBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189544319 265193702 /nfs/dbraw/zinc/19/37/02/265193702.db2.gz GLPYIFXIEBXQDW-LLVKDONJSA-N 1 0 326.702 2.993 20 5 EFBDRO COc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000192636723 265303463 /nfs/dbraw/zinc/30/34/63/265303463.db2.gz QLXPLNNLSHOMDU-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1cccs1 ZINC000192707339 265305387 /nfs/dbraw/zinc/30/53/87/265305387.db2.gz MLFFLXXVVPAETL-AWEZNQCLSA-N 1 0 336.413 2.666 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1F ZINC000192707659 265305924 /nfs/dbraw/zinc/30/59/24/265305924.db2.gz UZPWTHXECQJMJO-CQSZACIVSA-N 1 0 334.347 2.606 20 5 EFBDRO COc1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000193998498 265357147 /nfs/dbraw/zinc/35/71/47/265357147.db2.gz DJMJGADOMDHNQN-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000194964999 265399902 /nfs/dbraw/zinc/39/99/02/265399902.db2.gz OQCIPIHDDPFVKL-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270813787 265815690 /nfs/dbraw/zinc/81/56/90/265815690.db2.gz OXOOXJRCYRHPJW-ZDUSSCGKSA-N 1 0 334.420 2.609 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000085688235 272991853 /nfs/dbraw/zinc/99/18/53/272991853.db2.gz PZFSZOXRKMJCHR-NSHDSACASA-N 1 0 338.408 2.555 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000270985545 265868762 /nfs/dbraw/zinc/86/87/62/265868762.db2.gz SPHNTSQPGJDVMW-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000271536612 266002726 /nfs/dbraw/zinc/00/27/26/266002726.db2.gz SRFVMRWAAOXEJT-JKSUJKDBSA-N 1 0 331.416 2.515 20 5 EFBDRO Cc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559997 266007933 /nfs/dbraw/zinc/00/79/33/266007933.db2.gz WNHVNCAPXHSQIE-UCLAIMLFSA-N 1 0 347.459 2.932 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000271564253 266009127 /nfs/dbraw/zinc/00/91/27/266009127.db2.gz APAIDXOBNRDHGO-APWZRJJASA-N 1 0 341.411 2.890 20 5 EFBDRO Cc1c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560179 266009831 /nfs/dbraw/zinc/00/98/31/266009831.db2.gz WQJDJEZRXCIXPM-KYNGSXCRSA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1cc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271607403 266020092 /nfs/dbraw/zinc/02/00/92/266020092.db2.gz JOSYOLAYGUBXIW-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000271620684 266023626 /nfs/dbraw/zinc/02/36/26/266023626.db2.gz CYFPERRGEXNYDW-XJKSGUPXSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH+](C)C ZINC000271622348 266024747 /nfs/dbraw/zinc/02/47/47/266024747.db2.gz XFGLWMLMCADXNH-XJKSGUPXSA-N 1 0 344.415 2.674 20 5 EFBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH+](C)C ZINC000271622346 266025321 /nfs/dbraw/zinc/02/53/21/266025321.db2.gz XFGLWMLMCADXNH-CJNGLKHVSA-N 1 0 344.415 2.674 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271854641 266079202 /nfs/dbraw/zinc/07/92/02/266079202.db2.gz UQDVQAWFJNVTJZ-FDRIWYBQSA-N 1 0 335.404 2.571 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271854649 266079434 /nfs/dbraw/zinc/07/94/34/266079434.db2.gz UQDVQAWFJNVTJZ-YIKOMLBNSA-N 1 0 335.404 2.571 20 5 EFBDRO Cc1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)ccc1F ZINC000272084549 266146985 /nfs/dbraw/zinc/14/69/85/266146985.db2.gz MCPXIYQIAJMVSB-SFHVURJKSA-N 1 0 345.374 2.945 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000272126887 266162018 /nfs/dbraw/zinc/16/20/18/266162018.db2.gz ATLSZTDWGVHFSE-GFCCVEGCSA-N 1 0 344.415 2.878 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000272258851 266206615 /nfs/dbraw/zinc/20/66/15/266206615.db2.gz ZUYLTJIGWKKGEQ-MFKMUULPSA-N 1 0 327.331 2.727 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000272407505 266256368 /nfs/dbraw/zinc/25/63/68/266256368.db2.gz ZYQDHJLFFWFHIN-OAHLLOKOSA-N 1 0 335.448 2.743 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272449946 266270186 /nfs/dbraw/zinc/27/01/86/266270186.db2.gz CCDUONTXYUQCFC-UHFFFAOYSA-N 1 0 329.347 2.533 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272449916 266270372 /nfs/dbraw/zinc/27/03/72/266270372.db2.gz CBILDYUKNJYFSP-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272477340 266276996 /nfs/dbraw/zinc/27/69/96/266276996.db2.gz GHSZILFBYICEIP-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507665 266288129 /nfs/dbraw/zinc/28/81/29/266288129.db2.gz IHUCSHRSTIEBQL-KEYYUXOJSA-N 1 0 344.415 2.822 20 5 EFBDRO CC[NH+](CC)CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517659 266291131 /nfs/dbraw/zinc/29/11/31/266291131.db2.gz KPLIOGYYECYGNM-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272567972 266310161 /nfs/dbraw/zinc/31/01/61/266310161.db2.gz QJKHRLNPUFPDKD-UHFFFAOYSA-N 1 0 341.358 2.629 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000272579122 266314231 /nfs/dbraw/zinc/31/42/31/266314231.db2.gz GOCWKZPHDWLEGK-RISCZKNCSA-N 1 0 345.424 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272612613 266326864 /nfs/dbraw/zinc/32/68/64/266326864.db2.gz WXVPEKZKSDDQBF-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272633256 266334311 /nfs/dbraw/zinc/33/43/11/266334311.db2.gz XFWVLGAIWPVNDR-COXVUDFISA-N 1 0 346.431 2.782 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000272644847 266337655 /nfs/dbraw/zinc/33/76/55/266337655.db2.gz OTTHLZRNAZGSBE-ZDUSSCGKSA-N 1 0 337.445 2.581 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](COC)OC ZINC000272700347 266355327 /nfs/dbraw/zinc/35/53/27/266355327.db2.gz RUGPNLYHDQXROY-CHWSQXEVSA-N 1 0 328.434 2.717 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000272761345 266374892 /nfs/dbraw/zinc/37/48/92/266374892.db2.gz AKJXTYCMVZAYBQ-OCCSQVGLSA-N 1 0 348.403 2.551 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000272778321 266379736 /nfs/dbraw/zinc/37/97/36/266379736.db2.gz DGUHILDOYNUCSR-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000272805981 266386856 /nfs/dbraw/zinc/38/68/56/266386856.db2.gz IHNUHXGOKUCDCR-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272884831 266407696 /nfs/dbraw/zinc/40/76/96/266407696.db2.gz WJPXQDMLIPMWNE-GFCCVEGCSA-N 1 0 340.383 2.874 20 5 EFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000273193013 266463007 /nfs/dbraw/zinc/46/30/07/266463007.db2.gz DAKDJUWKOPIIKI-OAHLLOKOSA-N 1 0 345.403 2.586 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000273225394 266468511 /nfs/dbraw/zinc/46/85/11/266468511.db2.gz VNVYMFLHXBKHEN-HIFRSBDPSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000273391631 266491566 /nfs/dbraw/zinc/49/15/66/266491566.db2.gz DOHAOQYKHLAGJG-AWEZNQCLSA-N 1 0 348.447 2.509 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106786065 273006354 /nfs/dbraw/zinc/00/63/54/273006354.db2.gz LQSUISOSWMELIB-PMGBHYCQSA-N 1 0 347.390 2.880 20 5 EFBDRO CCC(O)(CC)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276191655 266939174 /nfs/dbraw/zinc/93/91/74/266939174.db2.gz HBYYKFUNSSPLLH-UHFFFAOYSA-N 1 0 326.393 2.643 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000276366250 266972962 /nfs/dbraw/zinc/97/29/62/266972962.db2.gz BEAALKGPWZJALF-ZHACJKMWSA-N 1 0 331.416 2.942 20 5 EFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c1C ZINC000276558662 267012562 /nfs/dbraw/zinc/01/25/62/267012562.db2.gz KAPNHLCJGSHWDG-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncnn1C ZINC000276642130 267028282 /nfs/dbraw/zinc/02/82/82/267028282.db2.gz OZOPKKZYBBAWKU-NWDGAFQWSA-N 1 0 335.433 2.945 20 5 EFBDRO CCC(O)(CC)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276685261 267034947 /nfs/dbraw/zinc/03/49/47/267034947.db2.gz RHDGXXNHZDJUMX-CYBMUJFWSA-N 1 0 337.420 2.843 20 5 EFBDRO CS[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000276683680 267035268 /nfs/dbraw/zinc/03/52/68/267035268.db2.gz VGYIYNZFPOJHFC-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCCC1 ZINC000276821621 267055952 /nfs/dbraw/zinc/05/59/52/267055952.db2.gz HGDDALAJGHPFTC-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000276911465 267075010 /nfs/dbraw/zinc/07/50/10/267075010.db2.gz PBLNMMYPCXIFKN-RYUDHWBXSA-N 1 0 325.434 2.532 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276940780 267081660 /nfs/dbraw/zinc/08/16/60/267081660.db2.gz JVOQZVFDDTZHHE-JSGCOSHPSA-N 1 0 341.795 2.734 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000277004215 267096635 /nfs/dbraw/zinc/09/66/35/267096635.db2.gz KHXOXKJMLQPKMN-BBRMVZONSA-N 1 0 347.415 2.692 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277004219 267096657 /nfs/dbraw/zinc/09/66/57/267096657.db2.gz KHXOXKJMLQPKMN-CZUORRHYSA-N 1 0 347.415 2.692 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C[NH+]1CCCC1 ZINC000277108409 267114826 /nfs/dbraw/zinc/11/48/26/267114826.db2.gz MSOHXBVCEPMWBM-CYBMUJFWSA-N 1 0 348.403 2.695 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107601 267114930 /nfs/dbraw/zinc/11/49/30/267114930.db2.gz GXIBEBSYEVMGEE-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277139780 267119774 /nfs/dbraw/zinc/11/97/74/267119774.db2.gz HLHZIBXKQIDYLC-ZDUSSCGKSA-N 1 0 339.823 2.733 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000277175892 267124889 /nfs/dbraw/zinc/12/48/89/267124889.db2.gz KYTRCVPVFBCADF-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000277225623 267132156 /nfs/dbraw/zinc/13/21/56/267132156.db2.gz OHRKPNDINMMEFF-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000277377553 267167774 /nfs/dbraw/zinc/16/77/74/267167774.db2.gz VZKSNMDTLLBENP-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000277510724 267189228 /nfs/dbraw/zinc/18/92/28/267189228.db2.gz ACMAUKBKEAVJCW-GZMMTYOYSA-N 1 0 330.310 2.903 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000277510729 267189786 /nfs/dbraw/zinc/18/97/86/267189786.db2.gz ACMAUKBKEAVJCW-KCJUWKMLSA-N 1 0 330.310 2.903 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000277645928 267221766 /nfs/dbraw/zinc/22/17/66/267221766.db2.gz UKLKVNGOPYCDFZ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCn3cccn3)cs2)c1 ZINC000113326239 273016371 /nfs/dbraw/zinc/01/63/71/273016371.db2.gz OKPBVMRRCXWYIX-UHFFFAOYSA-N 1 0 329.385 2.705 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000277947990 267306598 /nfs/dbraw/zinc/30/65/98/267306598.db2.gz OUHQOQSLFZRJGU-AWEZNQCLSA-N 1 0 342.399 2.823 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000278240795 267377287 /nfs/dbraw/zinc/37/72/87/267377287.db2.gz NUOWZKQRQGWJAJ-HNNXBMFYSA-N 1 0 334.376 2.563 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000278508804 267464570 /nfs/dbraw/zinc/46/45/70/267464570.db2.gz XZIPJEWHEAPHRT-MNOVXSKESA-N 1 0 344.337 2.929 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000269642216 273086947 /nfs/dbraw/zinc/08/69/47/273086947.db2.gz JSRNQHOTULLMKC-USXIJHARSA-N 1 0 346.383 2.809 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nncn1C ZINC000271138519 273101096 /nfs/dbraw/zinc/10/10/96/273101096.db2.gz NSXITHLDUUBOQU-NEPJUHHUSA-N 1 0 335.433 2.945 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276737433 273141982 /nfs/dbraw/zinc/14/19/82/273141982.db2.gz YZLHPTBASAFHNO-KCQAQPDRSA-N 1 0 329.404 2.785 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276737428 273142005 /nfs/dbraw/zinc/14/20/05/273142005.db2.gz YZLHPTBASAFHNO-GZBFAFLISA-N 1 0 329.404 2.785 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000277137740 273147939 /nfs/dbraw/zinc/14/79/39/273147939.db2.gz HDTYSXYPSYRJIN-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277316411 273152122 /nfs/dbraw/zinc/15/21/22/273152122.db2.gz QMJMPQGAKWPAAS-ZDUSSCGKSA-N 1 0 331.372 2.897 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278989606 273163887 /nfs/dbraw/zinc/16/38/87/273163887.db2.gz DSRBRFWIRSNIEX-LRDDRELGSA-N 1 0 331.416 2.918 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)C1CC1 ZINC000279002893 273165323 /nfs/dbraw/zinc/16/53/23/273165323.db2.gz RQNUHKKZZYSCAB-WMLDXEAASA-N 1 0 340.427 2.965 20 5 EFBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003416 273165446 /nfs/dbraw/zinc/16/54/46/273165446.db2.gz GCEAYIZWNOAAGW-ABAIWWIYSA-N 1 0 340.445 2.730 20 5 EFBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279044391 273169873 /nfs/dbraw/zinc/16/98/73/273169873.db2.gz JPDFBJCVTBLJPF-MLGOLLRUSA-N 1 0 341.415 2.822 20 5 EFBDRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000279083256 273174714 /nfs/dbraw/zinc/17/47/14/273174714.db2.gz MWJQBTIDIATBBO-HZPDHXFCSA-N 1 0 331.416 2.916 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC2(C(N)=O)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084962 273174889 /nfs/dbraw/zinc/17/48/89/273174889.db2.gz MZGRJLDUPLZTQP-HNNXBMFYSA-N 1 0 331.416 2.953 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279262325 273194786 /nfs/dbraw/zinc/19/47/86/273194786.db2.gz IIDVTHWQNMBNMP-CXAGYDPISA-N 1 0 347.415 2.731 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279284604 273197847 /nfs/dbraw/zinc/19/78/47/273197847.db2.gz JBUXGMKVZKRSKQ-UHFFFAOYSA-N 1 0 333.310 2.570 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000279304822 273200312 /nfs/dbraw/zinc/20/03/12/273200312.db2.gz MNDQDZFQJXDBTQ-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279663439 273239445 /nfs/dbraw/zinc/23/94/45/273239445.db2.gz CVNWUGXEEBGAPP-CABCVRRESA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279690765 273242491 /nfs/dbraw/zinc/24/24/91/273242491.db2.gz GCKCDLCFILZVTE-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810990 273256015 /nfs/dbraw/zinc/25/60/15/273256015.db2.gz PWFZPCRLOJWGIQ-SWLSCSKDSA-N 1 0 346.387 2.770 20 5 EFBDRO C[C@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000279869690 273262827 /nfs/dbraw/zinc/26/28/27/273262827.db2.gz BZGWRTDORXMEKW-KRWDZBQOSA-N 1 0 331.372 2.987 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978915 273277000 /nfs/dbraw/zinc/27/70/00/273277000.db2.gz ZIYFZLGOSZRVDQ-SWLSCSKDSA-N 1 0 346.387 2.770 20 5 EFBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000280128628 273294007 /nfs/dbraw/zinc/29/40/07/273294007.db2.gz CGLZWJMIMFSMLE-KRWDZBQOSA-N 1 0 329.356 2.552 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280205408 273302069 /nfs/dbraw/zinc/30/20/69/273302069.db2.gz JIWMXCWSLBHWQS-MRXNPFEDSA-N 1 0 349.431 2.685 20 5 EFBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000280252754 273307532 /nfs/dbraw/zinc/30/75/32/273307532.db2.gz KTMSNVPUCRPHDR-OLZOCXBDSA-N 1 0 348.403 2.590 20 5 EFBDRO Cc1c(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000280532896 273337941 /nfs/dbraw/zinc/33/79/41/273337941.db2.gz PASZVYQEQATCSL-QGZVFWFLSA-N 1 0 327.384 2.952 20 5 EFBDRO Cc1cc(N2CCO[C@]3(CCO[C@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280559681 273341056 /nfs/dbraw/zinc/34/10/56/273341056.db2.gz UPTPQBWNUAVVTC-SCLBCKFNSA-N 1 0 343.383 2.836 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000280626949 273348166 /nfs/dbraw/zinc/34/81/66/273348166.db2.gz XBXHHXITHPZAQT-QGZVFWFLSA-N 1 0 343.383 2.522 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000280703963 273357431 /nfs/dbraw/zinc/35/74/31/273357431.db2.gz ISADHDDISJDJSY-UHFFFAOYSA-N 1 0 333.388 2.974 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000280706507 273357930 /nfs/dbraw/zinc/35/79/30/273357930.db2.gz SZWTYRBNBVTOJL-QHCPKHFHSA-N 1 0 348.371 2.587 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000280754711 273363320 /nfs/dbraw/zinc/36/33/20/273363320.db2.gz DZRBSKWDIHTAGD-DCGLDWPTSA-N 1 0 334.416 2.552 20 5 EFBDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280843216 273372887 /nfs/dbraw/zinc/37/28/87/273372887.db2.gz AWFNYPVQUYLQGS-AWEZNQCLSA-N 1 0 326.418 2.603 20 5 EFBDRO Cc1cc(OCC(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281150838 273405610 /nfs/dbraw/zinc/40/56/10/273405610.db2.gz PGJTYDHXDHUXSJ-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000281260297 273416912 /nfs/dbraw/zinc/41/69/12/273416912.db2.gz VHWRNTYEEXIYMB-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281590924 273450060 /nfs/dbraw/zinc/45/00/60/273450060.db2.gz NOWYSFDOBPMCRS-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000281686061 273459555 /nfs/dbraw/zinc/45/95/55/273459555.db2.gz UZLWXHKGYPHEEY-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000282301849 273543101 /nfs/dbraw/zinc/54/31/01/273543101.db2.gz RWEKYOIEQDALFW-LBPRGKRZSA-N 1 0 336.413 2.810 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050551720 273789653 /nfs/dbraw/zinc/78/96/53/273789653.db2.gz XRSDPSSXHGFOBI-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154202407 273795754 /nfs/dbraw/zinc/79/57/54/273795754.db2.gz RFBNZDWYIROQIN-UHFFFAOYSA-N 1 0 335.795 2.606 20 5 EFBDRO CN(C)c1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353633051 273822526 /nfs/dbraw/zinc/82/25/26/273822526.db2.gz VRXOPMJQQRLXPI-CJNGLKHVSA-N 1 0 344.419 2.526 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284780587 273886824 /nfs/dbraw/zinc/88/68/24/273886824.db2.gz NWBIYSFCEKNPKI-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000284897733 273903976 /nfs/dbraw/zinc/90/39/76/273903976.db2.gz CDAGXGOVMNMILS-BEMMVCDISA-N 1 0 335.404 2.554 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285411988 273995066 /nfs/dbraw/zinc/99/50/66/273995066.db2.gz XTHMDTDNYYQHLM-LLVKDONJSA-N 1 0 347.444 2.953 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000425276525 274017156 /nfs/dbraw/zinc/01/71/56/274017156.db2.gz HBJGOBKJPHAGKF-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000285531284 274019043 /nfs/dbraw/zinc/01/90/43/274019043.db2.gz KXVRUJRZRDUNHX-MRXNPFEDSA-N 1 0 339.367 2.611 20 5 EFBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285617831 274038791 /nfs/dbraw/zinc/03/87/91/274038791.db2.gz WGUSRGAGMZTARD-WDEREUQCSA-N 1 0 330.331 2.958 20 5 EFBDRO COC[C@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261865227 274053169 /nfs/dbraw/zinc/05/31/69/274053169.db2.gz YFOFKOAMFUPUCF-CYBMUJFWSA-N 1 0 344.209 2.538 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000285714752 274059143 /nfs/dbraw/zinc/05/91/43/274059143.db2.gz HFRZAZFLHQUGHR-UHFFFAOYSA-N 1 0 331.372 2.782 20 5 EFBDRO COc1cc(C[NH2+]CCCc2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000285720869 274060744 /nfs/dbraw/zinc/06/07/44/274060744.db2.gz WYFUSSFPLYXJHD-UHFFFAOYSA-N 1 0 331.372 2.735 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453329149 274066967 /nfs/dbraw/zinc/06/69/67/274066967.db2.gz UNUWEGOOHHKGHV-AFAVFJNCSA-N 1 0 334.416 2.958 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCC[C@@H]3CCO)o2)c1 ZINC000285959049 274107295 /nfs/dbraw/zinc/10/72/95/274107295.db2.gz DFZBIVCYJPFJSI-CZUORRHYSA-N 1 0 345.399 2.933 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](C2CC2)CC1 ZINC000285994492 274113814 /nfs/dbraw/zinc/11/38/14/274113814.db2.gz CZFKUQKOPIEBJU-UHFFFAOYSA-N 1 0 333.388 2.729 20 5 EFBDRO C[C@@H]1CCSCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286034281 274120637 /nfs/dbraw/zinc/12/06/37/274120637.db2.gz IAMZOJYPCGHJAR-LLVKDONJSA-N 1 0 341.408 2.890 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000286144401 274142239 /nfs/dbraw/zinc/14/22/39/274142239.db2.gz VQVHGFRAXOSANQ-ZOBUZTSGSA-N 1 0 333.432 2.759 20 5 EFBDRO Cc1cnc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000286148147 274142924 /nfs/dbraw/zinc/14/29/24/274142924.db2.gz AJAHJAYCSZZVRF-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CCC(CC)[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])[NH+](C)C ZINC000286196460 274151804 /nfs/dbraw/zinc/15/18/04/274151804.db2.gz REINIXJBBIONLA-AWEZNQCLSA-N 1 0 338.408 2.555 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000286206335 274153703 /nfs/dbraw/zinc/15/37/03/274153703.db2.gz SJMJJBNDIIIUFC-CHWSQXEVSA-N 1 0 337.445 2.805 20 5 EFBDRO COc1ccnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314263 274163692 /nfs/dbraw/zinc/16/36/92/274163692.db2.gz ZUOAHWRXHPRAPP-HIFRSBDPSA-N 1 0 342.399 2.894 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000286258630 274163815 /nfs/dbraw/zinc/16/38/15/274163815.db2.gz DHSUNYKZFCTMDI-BDJLRTHQSA-N 1 0 325.359 2.789 20 5 EFBDRO CSc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000377748824 274187828 /nfs/dbraw/zinc/18/78/28/274187828.db2.gz UKLLLWNQOYWRHT-CQSZACIVSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000359145397 274191251 /nfs/dbraw/zinc/19/12/51/274191251.db2.gz UYEXPUYCGXWFDQ-HNNXBMFYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119354999 274206316 /nfs/dbraw/zinc/20/63/16/274206316.db2.gz ZUEGZHPXSSRTBI-JSGCOSHPSA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000449215090 274231159 /nfs/dbraw/zinc/23/11/59/274231159.db2.gz XSRQGJJKQRCHLG-SUMWQHHRSA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1nccn1C ZINC000449266333 274231673 /nfs/dbraw/zinc/23/16/73/274231673.db2.gz VMPDJVZWIOGSEX-QRTARXTBSA-N 1 0 344.415 2.769 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286747112 274264569 /nfs/dbraw/zinc/26/45/69/274264569.db2.gz CZEMUGQUFWAXPL-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO C[N@@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286831803 274282174 /nfs/dbraw/zinc/28/21/74/274282174.db2.gz YGNOQEIAYNERBP-MRXNPFEDSA-N 1 0 326.400 2.540 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192629752 274287397 /nfs/dbraw/zinc/28/73/97/274287397.db2.gz JLGBTXJUOUJHEK-CZUORRHYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286930951 274303321 /nfs/dbraw/zinc/30/33/21/274303321.db2.gz DSRAWHCILQDWKM-WMLDXEAASA-N 1 0 331.416 2.531 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000286972029 274312452 /nfs/dbraw/zinc/31/24/52/274312452.db2.gz IMWNDPJZOAYFGW-APHBMKBZSA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000286972031 274312517 /nfs/dbraw/zinc/31/25/17/274312517.db2.gz IMWNDPJZOAYFGW-DAXOMENPSA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000286973572 274312719 /nfs/dbraw/zinc/31/27/19/274312719.db2.gz CSQHICSXNSCUIO-QMMMGPOBSA-N 1 0 334.298 2.685 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286988795 274316309 /nfs/dbraw/zinc/31/63/09/274316309.db2.gz QIRJWQXZUGZLKC-BDJLRTHQSA-N 1 0 325.359 2.932 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287047962 274329658 /nfs/dbraw/zinc/32/96/58/274329658.db2.gz SNXZLRPAYORARL-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000287107554 274344319 /nfs/dbraw/zinc/34/43/19/274344319.db2.gz ZLOBGVCQSWODIC-ZIAGYGMSSA-N 1 0 325.409 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@](F)(CO)C3)o2)c1 ZINC000287171598 274359636 /nfs/dbraw/zinc/35/96/36/274359636.db2.gz ZPVPHEJGPHKKEF-QGZVFWFLSA-N 1 0 349.362 2.589 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287328823 274395730 /nfs/dbraw/zinc/39/57/30/274395730.db2.gz OOTLQXJMKBZQDW-VBQJREDUSA-N 1 0 346.431 2.924 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287462350 274425566 /nfs/dbraw/zinc/42/55/66/274425566.db2.gz HBUJKTUNNJBDAE-DOMZBBRYSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]([NH3+])c1ccccc1 ZINC000150845156 274457834 /nfs/dbraw/zinc/45/78/34/274457834.db2.gz DUWHQDSAAKHFDK-SJCJKPOMSA-N 1 0 325.368 2.820 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000287635483 274461559 /nfs/dbraw/zinc/46/15/59/274461559.db2.gz ZTJICTFXJDKLGR-UHFFFAOYSA-N 1 0 333.432 2.780 20 5 EFBDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173314047 274517209 /nfs/dbraw/zinc/51/72/09/274517209.db2.gz UQKAJEPAQQRHBW-AWEZNQCLSA-N 1 0 342.399 2.677 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000288264400 274559782 /nfs/dbraw/zinc/55/97/82/274559782.db2.gz YTYPMENEICESQP-OAHLLOKOSA-N 1 0 347.419 2.843 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288393297 274584222 /nfs/dbraw/zinc/58/42/22/274584222.db2.gz MMBAAWLXPYBMCU-TZMCWYRMSA-N 1 0 342.399 2.775 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000289358685 274746702 /nfs/dbraw/zinc/74/67/02/274746702.db2.gz YYGUXRZIBKPHDI-HAQNSBGRSA-N 1 0 337.445 2.812 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000289662291 274799688 /nfs/dbraw/zinc/79/96/88/274799688.db2.gz MGNMJHYBLNPSKO-UHFFFAOYSA-N 1 0 338.795 2.950 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289764986 274818076 /nfs/dbraw/zinc/81/80/76/274818076.db2.gz XDJRHGSJXJGQFI-OCCSQVGLSA-N 1 0 325.796 2.595 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c([N+](=O)[O-])cc1O ZINC000289789508 274822302 /nfs/dbraw/zinc/82/23/02/274822302.db2.gz YOURUGVKNLMOME-AWEZNQCLSA-N 1 0 344.367 2.711 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353051976 275011592 /nfs/dbraw/zinc/01/15/92/275011592.db2.gz YOEIVNMDHPHFLM-HNNXBMFYSA-N 1 0 343.383 2.945 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C3CCCC3)CC2)s1 ZINC000408100731 275034121 /nfs/dbraw/zinc/03/41/21/275034121.db2.gz CTHWISXEUGGEPM-UHFFFAOYSA-N 1 0 333.417 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)CCC2 ZINC000447600046 275038288 /nfs/dbraw/zinc/03/82/88/275038288.db2.gz LNVGMEYCLMBQAQ-GDBMZVCRSA-N 1 0 338.429 2.529 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccco1 ZINC000344818949 275398606 /nfs/dbraw/zinc/39/86/06/275398606.db2.gz GBARCCABFSLAQE-RAXLEYEMSA-N 1 0 329.356 2.611 20 5 EFBDRO CC(=O)c1ccc(N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000176814986 275503847 /nfs/dbraw/zinc/50/38/47/275503847.db2.gz UYWQKASWLNUPHN-UHFFFAOYSA-N 1 0 349.431 2.735 20 5 EFBDRO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000362968813 275700212 /nfs/dbraw/zinc/70/02/12/275700212.db2.gz DHRUPZWHZNKVEE-INIZCTEOSA-N 1 0 348.447 2.663 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000430711787 275817145 /nfs/dbraw/zinc/81/71/45/275817145.db2.gz XNRPQTRAMOAYIC-HNNXBMFYSA-N 1 0 331.372 2.849 20 5 EFBDRO CCC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346677102 276049725 /nfs/dbraw/zinc/04/97/25/276049725.db2.gz VEGQSDFISYDULA-ZDUSSCGKSA-N 1 0 342.827 2.580 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000341698259 276108615 /nfs/dbraw/zinc/10/86/15/276108615.db2.gz LXSPQLDGXCSAFI-STQMWFEESA-N 1 0 339.461 2.922 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225279 276109656 /nfs/dbraw/zinc/10/96/56/276109656.db2.gz CNNNGCPIGNYJSS-CYBMUJFWSA-N 1 0 339.411 2.906 20 5 EFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000339378169 276235324 /nfs/dbraw/zinc/23/53/24/276235324.db2.gz CNTJRMGJNONXRP-JKSUJKDBSA-N 1 0 339.823 2.543 20 5 EFBDRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000176082903 276347479 /nfs/dbraw/zinc/34/74/79/276347479.db2.gz YXNKGQLOHGXGBD-CYBMUJFWSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502286 276769692 /nfs/dbraw/zinc/76/96/92/276769692.db2.gz BYTXANIYKJQLEC-HNNXBMFYSA-N 1 0 341.367 2.564 20 5 EFBDRO C[NH+](C)CC1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000341994883 276781728 /nfs/dbraw/zinc/78/17/28/276781728.db2.gz MRPXDJRYJXPRFP-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352359091 276791868 /nfs/dbraw/zinc/79/18/68/276791868.db2.gz BTYHEJKJEKFOHJ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000349255554 276791876 /nfs/dbraw/zinc/79/18/76/276791876.db2.gz WNGVIBQKCSZYPS-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000373984806 277036662 /nfs/dbraw/zinc/03/66/62/277036662.db2.gz GTLDWNWWFCQDAM-UHFFFAOYSA-N 1 0 335.433 2.616 20 5 EFBDRO COCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266528447 277207966 /nfs/dbraw/zinc/20/79/66/277207966.db2.gz LJDWMXMHFHFKRM-AWEZNQCLSA-N 1 0 349.431 2.521 20 5 EFBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417387426 277280971 /nfs/dbraw/zinc/28/09/71/277280971.db2.gz ZCEFHZWRMFDFEE-XJKSGUPXSA-N 1 0 337.420 2.963 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418425933 277437819 /nfs/dbraw/zinc/43/78/19/277437819.db2.gz KYCMGXNKFVIYCF-AWEZNQCLSA-N 1 0 334.420 2.642 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc(C)cc2[N+](=O)[O-])c1 ZINC000189628006 277453647 /nfs/dbraw/zinc/45/36/47/277453647.db2.gz RDBNQYXYCNWZEE-UHFFFAOYSA-N 1 0 344.415 2.875 20 5 EFBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344331877 277553713 /nfs/dbraw/zinc/55/37/13/277553713.db2.gz XRBOYKVMRWWTOD-CQSZACIVSA-N 1 0 334.372 2.934 20 5 EFBDRO CC(C)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000371332316 278035695 /nfs/dbraw/zinc/03/56/95/278035695.db2.gz OJTZRADGHJMTCX-UHFFFAOYSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000337845143 278037407 /nfs/dbraw/zinc/03/74/07/278037407.db2.gz HLUUYQBKRZSFTE-HOTGVXAUSA-N 1 0 331.416 2.961 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363793140 278215616 /nfs/dbraw/zinc/21/56/16/278215616.db2.gz HFTCZICICXXJHJ-UONOGXRCSA-N 1 0 347.415 2.813 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340611497 278267445 /nfs/dbraw/zinc/26/74/45/278267445.db2.gz WNSNGSJNBFBRDM-OAHLLOKOSA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)CC(F)(F)F ZINC000449082574 278298641 /nfs/dbraw/zinc/29/86/41/278298641.db2.gz OHCNCQLQIIBGDR-LBPRGKRZSA-N 1 0 333.354 3.000 20 5 EFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000340530449 278343866 /nfs/dbraw/zinc/34/38/66/278343866.db2.gz ZVINJQQZSRNIER-CQSZACIVSA-N 1 0 331.420 2.922 20 5 EFBDRO C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163963144 278557321 /nfs/dbraw/zinc/55/73/21/278557321.db2.gz HIKJELANNZQAPM-ZJUUUORDSA-N 1 0 328.210 2.778 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000375935469 278559588 /nfs/dbraw/zinc/55/95/88/278559588.db2.gz VVYFUPAWVULBIA-SWLSCSKDSA-N 1 0 331.416 2.716 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000357314882 278568224 /nfs/dbraw/zinc/56/82/24/278568224.db2.gz ZFQWKZWXVPMITO-HFBDOXOYSA-N 1 0 333.413 2.926 20 5 EFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449071306 278669901 /nfs/dbraw/zinc/66/99/01/278669901.db2.gz AURBHXYQYCHMAH-AWEZNQCLSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266379937 279036229 /nfs/dbraw/zinc/03/62/29/279036229.db2.gz HVTBNCOYHLECHV-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000158162512 279062951 /nfs/dbraw/zinc/06/29/51/279062951.db2.gz QPJLTRBBOGSDQA-SNVBAGLBSA-N 1 0 343.811 2.668 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000347328612 279179293 /nfs/dbraw/zinc/17/92/93/279179293.db2.gz BTBVEIWMNIEFLB-CJNGLKHVSA-N 1 0 330.344 2.571 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnc2ccccn21 ZINC000449067257 279382824 /nfs/dbraw/zinc/38/28/24/279382824.db2.gz JVHQXJVKMSNPGA-CHWSQXEVSA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1 ZINC000349693256 279491468 /nfs/dbraw/zinc/49/14/68/279491468.db2.gz MORAVBKHBBKUQW-LBPRGKRZSA-N 1 0 325.368 2.732 20 5 EFBDRO NC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000007435306 279558938 /nfs/dbraw/zinc/55/89/38/279558938.db2.gz VJXVXWKGXCMOBN-UHFFFAOYSA-N 1 0 336.391 2.644 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425454864 280112193 /nfs/dbraw/zinc/11/21/93/280112193.db2.gz GYANVPRAJZIJHH-QWRGUYRKSA-N 1 0 342.237 2.882 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000184727882 280158885 /nfs/dbraw/zinc/15/88/85/280158885.db2.gz AHJAFGKIJNFOAH-DOTOQJQBSA-N 1 0 333.432 2.716 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000362671712 280199005 /nfs/dbraw/zinc/19/90/05/280199005.db2.gz LBPNKUVWURTPLT-UWVGGRQHSA-N 1 0 343.225 2.955 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000094094371 280397786 /nfs/dbraw/zinc/39/77/86/280397786.db2.gz BTSHCBCHWPDQCP-HNNXBMFYSA-N 1 0 331.416 2.830 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372608033 280662292 /nfs/dbraw/zinc/66/22/92/280662292.db2.gz FYLYIONKOZFUJZ-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069627161 281018253 /nfs/dbraw/zinc/01/82/53/281018253.db2.gz BNYUCCTZWBHECG-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000194741040 281256985 /nfs/dbraw/zinc/25/69/85/281256985.db2.gz HUNGWKQWRABPPF-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346257712 281257057 /nfs/dbraw/zinc/25/70/57/281257057.db2.gz HBZMVHMCJIPUJO-JGGQBBKZSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261604762 281257834 /nfs/dbraw/zinc/25/78/34/281257834.db2.gz CKZXBVQVLCYNSZ-HNNXBMFYSA-N 1 0 325.368 2.520 20 5 EFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261711291 281417556 /nfs/dbraw/zinc/41/75/56/281417556.db2.gz KMLBNEOPYCJLIE-SFHVURJKSA-N 1 0 339.395 2.944 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057041931 292661409 /nfs/dbraw/zinc/66/14/09/292661409.db2.gz TXRYATYMTNMAQK-AWEZNQCLSA-N 1 0 334.420 2.516 20 5 EFBDRO C[NH+]1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000065308486 292683453 /nfs/dbraw/zinc/68/34/53/292683453.db2.gz MOQAAXXXWBLJQH-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376486113 289043557 /nfs/dbraw/zinc/04/35/57/289043557.db2.gz GVEWLDUNSYLIMN-BXUZGUMPSA-N 1 0 337.807 2.947 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000072926673 292721312 /nfs/dbraw/zinc/72/13/12/292721312.db2.gz XJPFOQMZXRQHFZ-RDJZCZTQSA-N 1 0 338.404 2.905 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000119737814 292913931 /nfs/dbraw/zinc/91/39/31/292913931.db2.gz WOLXVGFVSPKWLS-AWEZNQCLSA-N 1 0 335.404 2.859 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000128101269 293091241 /nfs/dbraw/zinc/09/12/41/293091241.db2.gz MACMYXUVNPDUGR-ZDUSSCGKSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000128391074 293102157 /nfs/dbraw/zinc/10/21/57/293102157.db2.gz FGLWKCFKXHFRMF-UHFFFAOYSA-N 1 0 343.383 2.501 20 5 EFBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000128663938 293111588 /nfs/dbraw/zinc/11/15/88/293111588.db2.gz YBOUASWTJOYCSX-LLVKDONJSA-N 1 0 334.420 2.868 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000128879982 293117901 /nfs/dbraw/zinc/11/79/01/293117901.db2.gz SYRJTYQTYQJEQP-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129673395 293141682 /nfs/dbraw/zinc/14/16/82/293141682.db2.gz FJGNUYCGUYXKSK-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO CC(C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000130166885 293156346 /nfs/dbraw/zinc/15/63/46/293156346.db2.gz RDWRZCKCWZRJAZ-KRWDZBQOSA-N 1 0 348.447 2.557 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC)CC1 ZINC000130897461 293181531 /nfs/dbraw/zinc/18/15/31/293181531.db2.gz WEMQQKWRWNZGFI-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000131895772 293212012 /nfs/dbraw/zinc/21/20/12/293212012.db2.gz AACVZTWRLXNWOA-INIZCTEOSA-N 1 0 348.447 2.905 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000133235740 293250634 /nfs/dbraw/zinc/25/06/34/293250634.db2.gz YENDSIGMQXSZJM-INIZCTEOSA-N 1 0 343.383 2.636 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000153317085 293370542 /nfs/dbraw/zinc/37/05/42/293370542.db2.gz YSTRSGCUTDZMKQ-SFHVURJKSA-N 1 0 342.395 2.999 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000153906343 293400808 /nfs/dbraw/zinc/40/08/08/293400808.db2.gz MXUNFTCJRQASLC-SRVKXCTJSA-N 1 0 349.387 2.581 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000155890244 293491211 /nfs/dbraw/zinc/49/12/11/293491211.db2.gz SOEQDOZNXIRHBA-RDTXWAMCSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000249835959 297027007 /nfs/dbraw/zinc/02/70/07/297027007.db2.gz WHQCLXPZWFAFCB-JTDSTZFVSA-N 1 0 347.459 2.711 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000290060006 293989144 /nfs/dbraw/zinc/98/91/44/293989144.db2.gz YDUXNRMHDQATDT-GXTWGEPZSA-N 1 0 335.379 2.741 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000290361320 294066760 /nfs/dbraw/zinc/06/67/60/294066760.db2.gz MTWQHNCDGHUXNO-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000290417155 294081269 /nfs/dbraw/zinc/08/12/69/294081269.db2.gz QPMLLAADUFRMNU-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000290525773 294111393 /nfs/dbraw/zinc/11/13/93/294111393.db2.gz GTPNZAYXTIJZJG-UHFFFAOYSA-N 1 0 348.378 2.869 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000290544203 294116406 /nfs/dbraw/zinc/11/64/06/294116406.db2.gz ISDLWBCMEARSCC-LBPRGKRZSA-N 1 0 336.392 2.694 20 5 EFBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845426 294201267 /nfs/dbraw/zinc/20/12/67/294201267.db2.gz JHCRJDMBLPCJOB-IIYDVTGLSA-N 1 0 325.217 2.758 20 5 EFBDRO Cc1n[nH]c(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000290931345 294223449 /nfs/dbraw/zinc/22/34/49/294223449.db2.gz SAIODBZRCVLXMJ-UHFFFAOYSA-N 1 0 330.175 2.660 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000290991379 294239973 /nfs/dbraw/zinc/23/99/73/294239973.db2.gz XKEUKHAIEQJYHL-GFCCVEGCSA-N 1 0 339.411 2.856 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291129110 294284284 /nfs/dbraw/zinc/28/42/84/294284284.db2.gz WCODRFWCPVPRIH-CYBMUJFWSA-N 1 0 332.404 2.852 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000291188442 294304279 /nfs/dbraw/zinc/30/42/79/294304279.db2.gz SMACCSCDJHMDJE-LLVKDONJSA-N 1 0 333.392 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291230738 294318572 /nfs/dbraw/zinc/31/85/72/294318572.db2.gz MHVUTRZVNDFECO-LJQANCHMSA-N 1 0 342.395 2.610 20 5 EFBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366250 294360312 /nfs/dbraw/zinc/36/03/12/294360312.db2.gz ZJARRHRPMIYOBP-GHMZBOCLSA-N 1 0 343.811 2.932 20 5 EFBDRO CC[NH+]1CCC(Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000291701374 294456908 /nfs/dbraw/zinc/45/69/08/294456908.db2.gz UJTJPXMYBVLIDJ-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000291795393 294486970 /nfs/dbraw/zinc/48/69/70/294486970.db2.gz PHSDNTHGPXFIRO-LBPRGKRZSA-N 1 0 325.796 2.739 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000292065812 294568402 /nfs/dbraw/zinc/56/84/02/294568402.db2.gz CZGDJSMDNAPAIX-ZDUSSCGKSA-N 1 0 348.374 2.999 20 5 EFBDRO CC(C)S(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292147840 294594654 /nfs/dbraw/zinc/59/46/54/294594654.db2.gz NDTAIOLDHQEZBQ-UHFFFAOYSA-N 1 0 328.434 2.633 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCC[NH3+] ZINC000293668374 295023635 /nfs/dbraw/zinc/02/36/35/295023635.db2.gz MLUAAONKKDSNEB-LLVKDONJSA-N 1 0 325.434 2.709 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293699327 295030316 /nfs/dbraw/zinc/03/03/16/295030316.db2.gz NEPSGCCNPUNFBA-ZDUSSCGKSA-N 1 0 331.416 2.850 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733301 295037710 /nfs/dbraw/zinc/03/77/10/295037710.db2.gz MZPRZSPIOITCTG-CHWSQXEVSA-N 1 0 342.399 2.533 20 5 EFBDRO COc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293780011 295048009 /nfs/dbraw/zinc/04/80/09/295048009.db2.gz WATCZWOBLRAWFN-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293842795 295061939 /nfs/dbraw/zinc/06/19/39/295061939.db2.gz SYKXQNDMFYIBMP-ZDUSSCGKSA-N 1 0 342.399 2.566 20 5 EFBDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293870517 295067830 /nfs/dbraw/zinc/06/78/30/295067830.db2.gz UXIUOROJLUBIOE-JTQLQIEISA-N 1 0 334.342 2.712 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293885036 295071506 /nfs/dbraw/zinc/07/15/06/295071506.db2.gz VPMQABHATYUQMP-SNVBAGLBSA-N 1 0 346.353 2.854 20 5 EFBDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293885030 295071558 /nfs/dbraw/zinc/07/15/58/295071558.db2.gz VPMQABHATYUQMP-JTQLQIEISA-N 1 0 346.353 2.854 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C[NH+](C)C ZINC000293894635 295073949 /nfs/dbraw/zinc/07/39/49/295073949.db2.gz QUTTXNACUXNQOC-VIFPVBQESA-N 1 0 333.310 2.541 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000293918541 295079176 /nfs/dbraw/zinc/07/91/76/295079176.db2.gz IINACAOTIUYFKI-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1cc(OCC(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293990317 295094773 /nfs/dbraw/zinc/09/47/73/295094773.db2.gz SKTSANOKFRVEQB-UHFFFAOYSA-N 1 0 349.431 2.664 20 5 EFBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000293994612 295095305 /nfs/dbraw/zinc/09/53/05/295095305.db2.gz JCEFXTLQYHOKSZ-CQSZACIVSA-N 1 0 333.417 2.822 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000294101613 295111268 /nfs/dbraw/zinc/11/12/68/295111268.db2.gz KSURYMUTSVMDKI-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N+](=O)[O-] ZINC000294286331 295141625 /nfs/dbraw/zinc/14/16/25/295141625.db2.gz HRGZRAAOVRCASP-AWEZNQCLSA-N 1 0 337.420 2.758 20 5 EFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000294314580 295145896 /nfs/dbraw/zinc/14/58/96/295145896.db2.gz HDZWYDDEDOPLEX-UHFFFAOYSA-N 1 0 347.415 2.550 20 5 EFBDRO CC(C)(CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N+](=O)[O-] ZINC000294491949 295175320 /nfs/dbraw/zinc/17/53/20/295175320.db2.gz PPKSOPCILFUROI-MRXNPFEDSA-N 1 0 333.432 2.775 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294521012 295179598 /nfs/dbraw/zinc/17/95/98/295179598.db2.gz TVWCBAALTWZLKE-UHFFFAOYSA-N 1 0 347.337 2.931 20 5 EFBDRO C[NH+](C)CCCOc1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294577267 295188694 /nfs/dbraw/zinc/18/86/94/295188694.db2.gz KLSFHLBMFACDCI-UHFFFAOYSA-N 1 0 337.420 2.791 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295021471 295258767 /nfs/dbraw/zinc/25/87/67/295258767.db2.gz HLNSCYHQLMFKOJ-LLVKDONJSA-N 1 0 325.796 2.723 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000295117040 295269865 /nfs/dbraw/zinc/26/98/65/295269865.db2.gz IHINJOXQTHFLEL-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295124858 295271029 /nfs/dbraw/zinc/27/10/29/295271029.db2.gz HLIPLWKORXNSKP-WBVHZDCISA-N 1 0 347.459 2.849 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000295229304 295285277 /nfs/dbraw/zinc/28/52/77/295285277.db2.gz WQETXYGCHBPSDZ-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC(C)(C)CO ZINC000295233177 295285710 /nfs/dbraw/zinc/28/57/10/295285710.db2.gz ONZJWZKSTXOGJJ-JTQLQIEISA-N 1 0 343.811 2.526 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000295254818 295288507 /nfs/dbraw/zinc/28/85/07/295288507.db2.gz QQIXRCBYKLDFBK-CQSZACIVSA-N 1 0 348.447 2.688 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)CO ZINC000295314542 295298991 /nfs/dbraw/zinc/29/89/91/295298991.db2.gz WAJRFMBJIKYAAZ-UHFFFAOYSA-N 1 0 333.388 2.743 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295339229 295303193 /nfs/dbraw/zinc/30/31/93/295303193.db2.gz MKZPFTILNFYHJP-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295339235 295303297 /nfs/dbraw/zinc/30/32/97/295303297.db2.gz MKZPFTILNFYHJP-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295386010 295311497 /nfs/dbraw/zinc/31/14/97/295311497.db2.gz PZMVFHMFEBLURK-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1nc(NCc2ccnc(N3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000295429124 295318908 /nfs/dbraw/zinc/31/89/08/295318908.db2.gz FOSWEJGRMLQTOB-UHFFFAOYSA-N 1 0 328.376 2.691 20 5 EFBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000295598243 295346925 /nfs/dbraw/zinc/34/69/25/295346925.db2.gz CCGLTMIXWRDMQY-TUAOUCFPSA-N 1 0 347.337 2.808 20 5 EFBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000295714635 295364824 /nfs/dbraw/zinc/36/48/24/295364824.db2.gz SJVAWVCMFTZLRR-DZGCQCFKSA-N 1 0 327.388 2.768 20 5 EFBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000295714649 295364842 /nfs/dbraw/zinc/36/48/42/295364842.db2.gz SJVAWVCMFTZLRR-ZFWWWQNUSA-N 1 0 327.388 2.768 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000295772495 295373961 /nfs/dbraw/zinc/37/39/61/295373961.db2.gz YQKUYSLSTDPHML-CQSZACIVSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525515 295387920 /nfs/dbraw/zinc/38/79/20/295387920.db2.gz JYEMQPJYRDAAKX-INIZCTEOSA-N 1 0 343.383 2.602 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912712 295395764 /nfs/dbraw/zinc/39/57/64/295395764.db2.gz DVOFKJULHFFQNH-UONOGXRCSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912709 295395770 /nfs/dbraw/zinc/39/57/70/295395770.db2.gz DVOFKJULHFFQNH-KGLIPLIRSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295927551 295397797 /nfs/dbraw/zinc/39/77/97/295397797.db2.gz FUQAIOODEBLPGJ-OAHLLOKOSA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc21 ZINC000296024253 295413324 /nfs/dbraw/zinc/41/33/24/295413324.db2.gz ZGSYALAQOKOCEF-UHFFFAOYSA-N 1 0 346.431 2.977 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185128906 298040042 /nfs/dbraw/zinc/04/00/42/298040042.db2.gz IPKKPKPLUVNXAX-ZFWWWQNUSA-N 1 0 349.406 2.924 20 5 EFBDRO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](C2CC2)C1 ZINC000452171386 300183589 /nfs/dbraw/zinc/18/35/89/300183589.db2.gz KMYVDURTNCRBCN-GFCCVEGCSA-N 1 0 342.399 2.632 20 5 EFBDRO [NH3+]CCN(Cc1cc2ccccc2[nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC000348902446 303381216 /nfs/dbraw/zinc/38/12/16/303381216.db2.gz CVSPSISKJHVSNE-UHFFFAOYSA-N 1 0 338.367 2.814 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420283045 304811878 /nfs/dbraw/zinc/81/18/78/304811878.db2.gz XDEPCBGJFWPEIC-MNOVXSKESA-N 1 0 344.337 2.835 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160293802 310697406 /nfs/dbraw/zinc/69/74/06/310697406.db2.gz WRCWFZHZNVZEPW-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000173370974 310764290 /nfs/dbraw/zinc/76/42/90/310764290.db2.gz AWJJYQZDMOJIMD-ZWKOTPCHSA-N 1 0 344.415 2.673 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccc(F)cc1 ZINC000297235819 310869567 /nfs/dbraw/zinc/86/95/67/310869567.db2.gz PHQNPQBZAKMJRM-IAGOWNOFSA-N 1 0 343.358 2.691 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1SC ZINC000298221386 310968899 /nfs/dbraw/zinc/96/88/99/310968899.db2.gz AKYYTSIHGBSBGK-CFVMTHIKSA-N 1 0 326.418 2.602 20 5 EFBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298260344 310973006 /nfs/dbraw/zinc/97/30/06/310973006.db2.gz FLKVZIQFMFUKKR-UHFFFAOYSA-N 1 0 335.404 2.989 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000298601688 311006964 /nfs/dbraw/zinc/00/69/64/311006964.db2.gz ZEYBRRCNDKPTIF-GLQYFDAESA-N 1 0 326.418 2.602 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000298601683 311007023 /nfs/dbraw/zinc/00/70/23/311007023.db2.gz ZEYBRRCNDKPTIF-DFBGVHRSSA-N 1 0 326.418 2.602 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298938980 311036218 /nfs/dbraw/zinc/03/62/18/311036218.db2.gz BSEIMECDWWMDFN-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000299001877 311041010 /nfs/dbraw/zinc/04/10/10/311041010.db2.gz OYYSYQUQNMCGOL-GFCCVEGCSA-N 1 0 337.376 2.828 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000299013541 311041982 /nfs/dbraw/zinc/04/19/82/311041982.db2.gz GKAGSQIPDUCKDY-CMDGGOBGSA-N 1 0 331.416 2.941 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000299058235 311046404 /nfs/dbraw/zinc/04/64/04/311046404.db2.gz KLVGHFMAVXNELT-QGZVFWFLSA-N 1 0 342.399 2.669 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299109898 311051846 /nfs/dbraw/zinc/05/18/46/311051846.db2.gz SQUYZRPCBULYDW-KFWWJZLASA-N 1 0 333.432 2.620 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000299188157 311060062 /nfs/dbraw/zinc/06/00/62/311060062.db2.gz CPPMEDLMJUMQND-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231060 311063772 /nfs/dbraw/zinc/06/37/72/311063772.db2.gz PWFVHFPWHBDXQO-KBPBESRZSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299358095 311076286 /nfs/dbraw/zinc/07/62/86/311076286.db2.gz JHPDCOPHQAFCNX-SECBINFHSA-N 1 0 346.334 2.658 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299497062 311090740 /nfs/dbraw/zinc/09/07/40/311090740.db2.gz HEBNJUALWCIZQW-HNNXBMFYSA-N 1 0 349.456 2.774 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000299528578 311093743 /nfs/dbraw/zinc/09/37/43/311093743.db2.gz YQCPGZLJTLMXPE-CQSZACIVSA-N 1 0 335.404 2.772 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299617256 311103281 /nfs/dbraw/zinc/10/32/81/311103281.db2.gz KRZALGWBRDVCMN-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000301071486 311117161 /nfs/dbraw/zinc/11/71/61/311117161.db2.gz FUSUUBBMIOBEHR-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000301171711 311122762 /nfs/dbraw/zinc/12/27/62/311122762.db2.gz FFGFHJYNRYOYPW-UHFFFAOYSA-N 1 0 348.790 2.978 20 5 EFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301372852 311134300 /nfs/dbraw/zinc/13/43/00/311134300.db2.gz UIXZWZCXCNOIEA-UHFFFAOYSA-N 1 0 348.403 2.695 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)cc1C(F)(F)F ZINC000301452485 311138175 /nfs/dbraw/zinc/13/81/75/311138175.db2.gz UPPHGTAHTDELHR-UHFFFAOYSA-N 1 0 347.337 2.730 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301502082 311141205 /nfs/dbraw/zinc/14/12/05/311141205.db2.gz FIEIEGUGBCJWQS-CYBMUJFWSA-N 1 0 340.855 2.995 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301548201 311143832 /nfs/dbraw/zinc/14/38/32/311143832.db2.gz UNBLWCUUIXZRQY-MRXNPFEDSA-N 1 0 344.415 2.912 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000301742462 311155921 /nfs/dbraw/zinc/15/59/21/311155921.db2.gz YSMVNUFAEQSZSD-AEFFLSMTSA-N 1 0 341.411 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000301840644 311161921 /nfs/dbraw/zinc/16/19/21/311161921.db2.gz AWSGUAVARLCTFW-ROUUACIJSA-N 1 0 327.384 2.642 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885884 311164939 /nfs/dbraw/zinc/16/49/39/311164939.db2.gz PRHDQUYDMNGAPB-HOTGVXAUSA-N 1 0 327.384 2.642 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301992898 311171005 /nfs/dbraw/zinc/17/10/05/311171005.db2.gz OBQBQXVJOXGLMO-OKILXGFUSA-N 1 0 338.477 2.651 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000302106342 311178092 /nfs/dbraw/zinc/17/80/92/311178092.db2.gz SCTSETHDBYGEGV-CYBMUJFWSA-N 1 0 333.388 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(OC(F)F)c1 ZINC000302160774 311181653 /nfs/dbraw/zinc/18/16/53/311181653.db2.gz PBBBBLGBAYHGNW-GFCCVEGCSA-N 1 0 325.315 2.647 20 5 EFBDRO Cc1cc(N[C@H](C)[C@H](C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212663 311184811 /nfs/dbraw/zinc/18/48/11/311184811.db2.gz YYDQZYBDNUARCZ-KGLIPLIRSA-N 1 0 344.415 2.973 20 5 EFBDRO CN1CC[NH+](CCC(C)(C)Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000302239327 311186709 /nfs/dbraw/zinc/18/67/09/311186709.db2.gz HLYRTAABSNMWAR-UHFFFAOYSA-N 1 0 342.390 2.701 20 5 EFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000302406788 311189190 /nfs/dbraw/zinc/18/91/90/311189190.db2.gz GANBHAQUBLNDSH-IBGZPJMESA-N 1 0 341.411 2.668 20 5 EFBDRO CNC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302404720 311189293 /nfs/dbraw/zinc/18/92/93/311189293.db2.gz LNBUOSZVCOZTMR-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000302493998 311191503 /nfs/dbraw/zinc/19/15/03/311191503.db2.gz ZZSQOMSOGIXBIQ-IBGZPJMESA-N 1 0 341.411 2.668 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000302782088 311200740 /nfs/dbraw/zinc/20/07/40/311200740.db2.gz SFERYBUIEQOEMN-MNOVXSKESA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305653058 311223810 /nfs/dbraw/zinc/22/38/10/311223810.db2.gz OKPQTZHCRPUGOO-DYEKYZERSA-N 1 0 346.387 2.799 20 5 EFBDRO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313333812 311231830 /nfs/dbraw/zinc/23/18/30/311231830.db2.gz AMCSIGOGUYTZHC-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325645743 311243318 /nfs/dbraw/zinc/24/33/18/311243318.db2.gz XJRCYPTUJRREGT-PXAZEXFGSA-N 1 0 325.368 2.659 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccccc2F)cccc1[N+](=O)[O-] ZINC000326467538 311244113 /nfs/dbraw/zinc/24/41/13/311244113.db2.gz SAIUCOQNMCBNJB-AWEZNQCLSA-N 1 0 334.347 2.572 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])sc2C1 ZINC000326491738 311244256 /nfs/dbraw/zinc/24/42/56/311244256.db2.gz GBKOCXZFRLKTDW-OFSNVTPPSA-N 1 0 344.396 2.519 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326624361 311244460 /nfs/dbraw/zinc/24/44/60/311244460.db2.gz NYZNSIVKAJNKIP-SNAWJCMRSA-N 1 0 329.400 2.600 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000326683498 311244475 /nfs/dbraw/zinc/24/44/75/311244475.db2.gz OSQJOUOZSYLUTQ-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000330418379 311317398 /nfs/dbraw/zinc/31/73/98/311317398.db2.gz OYKMYMVNRJZEAN-UHFFFAOYSA-N 1 0 348.447 2.646 20 5 EFBDRO CC(C)N(C)C(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330463013 311318527 /nfs/dbraw/zinc/31/85/27/311318527.db2.gz ZGASMGKJFTWODH-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330516296 311320224 /nfs/dbraw/zinc/32/02/24/311320224.db2.gz IFRSDUOOQGZECC-HUUCEWRRSA-N 1 0 335.448 2.605 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330802596 311336182 /nfs/dbraw/zinc/33/61/82/311336182.db2.gz HLJXLDGFXCVDRH-CQSZACIVSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330820247 311336805 /nfs/dbraw/zinc/33/68/05/311336805.db2.gz DIKYCTNHUOOKIR-GFCCVEGCSA-N 1 0 337.395 2.686 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853524 311338698 /nfs/dbraw/zinc/33/86/98/311338698.db2.gz GQEHMIPBDBKLFA-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330859105 311339150 /nfs/dbraw/zinc/33/91/50/311339150.db2.gz JXZPCRBWXCRDBI-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331045490 311350621 /nfs/dbraw/zinc/35/06/21/311350621.db2.gz HMDIDQZLNFOKRR-CYBMUJFWSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331295274 311365720 /nfs/dbraw/zinc/36/57/20/311365720.db2.gz SJUQDZUTUQAUTM-QEORTHHSSA-N 1 0 349.431 2.713 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309578 311366873 /nfs/dbraw/zinc/36/68/73/311366873.db2.gz YITIGGPNXMHCKM-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000331472265 311380964 /nfs/dbraw/zinc/38/09/64/311380964.db2.gz OHTNRRUCIBXYBR-OAHLLOKOSA-N 1 0 333.432 2.860 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331495639 311383027 /nfs/dbraw/zinc/38/30/27/311383027.db2.gz GSJWFBPMPXFYND-OLZOCXBDSA-N 1 0 327.388 2.738 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623095 311398449 /nfs/dbraw/zinc/39/84/49/311398449.db2.gz RGNITBLBIKYKJQ-HKUYNNGSSA-N 1 0 347.459 2.655 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000331655650 311403461 /nfs/dbraw/zinc/40/34/61/311403461.db2.gz WQJHUPFIPBULLY-KSSFIOAISA-N 1 0 346.431 2.749 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000331742035 311415342 /nfs/dbraw/zinc/41/53/42/311415342.db2.gz XKGMUXNUWPLHIC-AWEZNQCLSA-N 1 0 334.420 2.507 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000332004591 311443662 /nfs/dbraw/zinc/44/36/62/311443662.db2.gz OKDLTLVNKLAPQC-UHFFFAOYSA-N 1 0 334.420 2.636 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000332148880 311461952 /nfs/dbraw/zinc/46/19/52/311461952.db2.gz MNAOQEVXCWNZLW-MRXNPFEDSA-N 1 0 336.388 2.756 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332226483 311474074 /nfs/dbraw/zinc/47/40/74/311474074.db2.gz ZGGYODRBUMNQIM-BFHYXJOUSA-N 1 0 332.404 2.803 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000332285740 311483003 /nfs/dbraw/zinc/48/30/03/311483003.db2.gz SCXASYKAWKERCY-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[C@@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332399345 311499031 /nfs/dbraw/zinc/49/90/31/311499031.db2.gz RNAXZFMCLOMHOW-JKSUJKDBSA-N 1 0 333.432 2.922 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000332644782 311530210 /nfs/dbraw/zinc/53/02/10/311530210.db2.gz MBJDVLLJUUKQBB-QWHCGFSZSA-N 1 0 329.404 2.975 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411508069 311979844 /nfs/dbraw/zinc/97/98/44/311979844.db2.gz YEVAYUZSRRNVQU-ZWKOTPCHSA-N 1 0 343.427 2.689 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414926841 312064193 /nfs/dbraw/zinc/06/41/93/312064193.db2.gz LELBSWVWDISMMK-BBRMVZONSA-N 1 0 348.447 2.680 20 5 EFBDRO [NH3+]CC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000414992878 312072740 /nfs/dbraw/zinc/07/27/40/312072740.db2.gz RTBVDZFYJBWJGN-LBPRGKRZSA-N 1 0 342.371 2.790 20 5 EFBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)F ZINC000414999837 312074894 /nfs/dbraw/zinc/07/48/94/312074894.db2.gz WHZYLVDHUCIDPE-CYBMUJFWSA-N 1 0 325.315 2.927 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2C[NH2+]CCCO2)s1 ZINC000415046784 312083064 /nfs/dbraw/zinc/08/30/64/312083064.db2.gz VOBNWYLDYHRBFX-CYBMUJFWSA-N 1 0 347.440 2.791 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[NH2+]CCCO2)s1 ZINC000415046785 312083121 /nfs/dbraw/zinc/08/31/21/312083121.db2.gz VOBNWYLDYHRBFX-ZDUSSCGKSA-N 1 0 347.440 2.791 20 5 EFBDRO [NH3+]CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000415052115 312084051 /nfs/dbraw/zinc/08/40/51/312084051.db2.gz HPXXYEVPPQHKQO-SNVBAGLBSA-N 1 0 343.252 2.566 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415443074 312139671 /nfs/dbraw/zinc/13/96/71/312139671.db2.gz QNIQPDGMAUMAHL-RKDXNWHRSA-N 1 0 346.309 2.815 20 5 EFBDRO COc1ccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000415451443 312140892 /nfs/dbraw/zinc/14/08/92/312140892.db2.gz XGCIFDZVEJPEKI-AWEZNQCLSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415476990 312143072 /nfs/dbraw/zinc/14/30/72/312143072.db2.gz AFXLTIVGLFERMI-BFHYXJOUSA-N 1 0 332.404 2.721 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415477582 312143498 /nfs/dbraw/zinc/14/34/98/312143498.db2.gz BNQINJZDVNFSSB-UHFFFAOYSA-N 1 0 332.404 2.819 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415500862 312146891 /nfs/dbraw/zinc/14/68/91/312146891.db2.gz LQHGRHVUNURHHG-HNNXBMFYSA-N 1 0 332.404 2.837 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415635328 312160510 /nfs/dbraw/zinc/16/05/10/312160510.db2.gz UMFILVXPIOFEFR-LBPRGKRZSA-N 1 0 336.367 2.587 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415765514 312170406 /nfs/dbraw/zinc/17/04/06/312170406.db2.gz RDCRSDWAOQXBBC-GOEBONIOSA-N 1 0 332.404 2.667 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417147956 312194897 /nfs/dbraw/zinc/19/48/97/312194897.db2.gz ZWDLBUCGFVRFIU-DOMZBBRYSA-N 1 0 334.420 2.733 20 5 EFBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309767 312207043 /nfs/dbraw/zinc/20/70/43/312207043.db2.gz KANJGFIBQDFCNZ-LRDDRELGSA-N 1 0 340.445 2.775 20 5 EFBDRO C[C@H]1COCCN1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317976 312208461 /nfs/dbraw/zinc/20/84/61/312208461.db2.gz XTCWELBZRWJJNH-KSSFIOAISA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COCC1CC1)CCCC2 ZINC000417345118 312211741 /nfs/dbraw/zinc/21/17/41/312211741.db2.gz TVFFPPRLGBRDLV-FUHWJXTLSA-N 1 0 334.416 2.739 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417729431 312262435 /nfs/dbraw/zinc/26/24/35/312262435.db2.gz QAEWFCRTIMFOFZ-GOEBONIOSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417729430 312262438 /nfs/dbraw/zinc/26/24/38/312262438.db2.gz QAEWFCRTIMFOFZ-GDBMZVCRSA-N 1 0 348.447 2.686 20 5 EFBDRO CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000417729982 312262922 /nfs/dbraw/zinc/26/29/22/312262922.db2.gz QQKKGLAMBWCPFW-QGZVFWFLSA-N 1 0 348.447 2.701 20 5 EFBDRO CC[C@H](NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417818689 312274601 /nfs/dbraw/zinc/27/46/01/312274601.db2.gz BCJNYCOXHUCHLP-XPKDYRNWSA-N 1 0 334.420 2.863 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417818215 312274857 /nfs/dbraw/zinc/27/48/57/312274857.db2.gz ASTYXGCUTZVHQR-GUYCJALGSA-N 1 0 334.420 2.653 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417844006 312280079 /nfs/dbraw/zinc/28/00/79/312280079.db2.gz HHEFUZAFCMVRLW-HZPDHXFCSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000417845079 312280407 /nfs/dbraw/zinc/28/04/07/312280407.db2.gz IIQONZQDITXCFC-WFASDCNBSA-N 1 0 334.420 2.781 20 5 EFBDRO CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000417860889 312284599 /nfs/dbraw/zinc/28/45/99/312284599.db2.gz ZGHPEMDGWOZBGK-IJEWVQPXSA-N 1 0 332.404 2.582 20 5 EFBDRO CN(C)C(=O)c1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000418047419 312316235 /nfs/dbraw/zinc/31/62/35/312316235.db2.gz SMHINWOGQNUZCT-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO Cc1c(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000418085353 312323124 /nfs/dbraw/zinc/32/31/24/312323124.db2.gz XTWNDASETONTAE-UHFFFAOYSA-N 1 0 346.431 2.578 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C[NH+]1CCCC1 ZINC000418140737 312333280 /nfs/dbraw/zinc/33/32/80/312333280.db2.gz FRJHPDUYPHUKJA-UHFFFAOYSA-N 1 0 349.431 2.768 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418233017 312351234 /nfs/dbraw/zinc/35/12/34/312351234.db2.gz NMAYVWFESKFGDD-SUMWQHHRSA-N 1 0 346.431 2.829 20 5 EFBDRO O=C(NCCC[NH2+]C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418285164 312357248 /nfs/dbraw/zinc/35/72/48/312357248.db2.gz FAYUXRHFLNJXQD-HNNXBMFYSA-N 1 0 346.431 2.626 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CN)C1CCCCC1 ZINC000420354373 312363553 /nfs/dbraw/zinc/36/35/53/312363553.db2.gz BFPPNXDYHGRIOZ-KRWDZBQOSA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1cc(Cc2noc(C34CCC[NH+]3CCC4)n2)ccc1[N+](=O)[O-] ZINC000420489611 312371649 /nfs/dbraw/zinc/37/16/49/312371649.db2.gz YABOOFYKOKCOQI-UHFFFAOYSA-N 1 0 328.372 2.962 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420811164 312395346 /nfs/dbraw/zinc/39/53/46/312395346.db2.gz SUUTYXSCZURLRX-DZGCQCFKSA-N 1 0 334.420 2.700 20 5 EFBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1C ZINC000423444752 312419403 /nfs/dbraw/zinc/41/94/03/312419403.db2.gz MATKRQBDTZARHN-OAHLLOKOSA-N 1 0 347.415 2.516 20 5 EFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C[NH3+])C1CC1 ZINC000423940956 312485721 /nfs/dbraw/zinc/48/57/21/312485721.db2.gz BPWYZUTWTRCZNB-CQSZACIVSA-N 1 0 346.412 2.528 20 5 EFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C[NH3+])C1CC1 ZINC000423940953 312485937 /nfs/dbraw/zinc/48/59/37/312485937.db2.gz BPWYZUTWTRCZNB-AWEZNQCLSA-N 1 0 346.412 2.528 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000423955331 312488683 /nfs/dbraw/zinc/48/86/83/312488683.db2.gz CDKZFWJRBLNUPX-CYBMUJFWSA-N 1 0 333.413 2.957 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000424023084 312498137 /nfs/dbraw/zinc/49/81/37/312498137.db2.gz AHMUJNDRETWZRW-GOEBONIOSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000424040225 312501773 /nfs/dbraw/zinc/50/17/73/312501773.db2.gz LOBQXSZZVNNALY-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424041378 312501914 /nfs/dbraw/zinc/50/19/14/312501914.db2.gz SVPGLBPPWOCEKL-GOEBONIOSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000424047110 312502965 /nfs/dbraw/zinc/50/29/65/312502965.db2.gz UKIWXJUPGTUXKG-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424052250 312504082 /nfs/dbraw/zinc/50/40/82/312504082.db2.gz MBKHDYDTUGZTSV-GMTAPVOTSA-N 1 0 325.796 2.694 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424061016 312505469 /nfs/dbraw/zinc/50/54/69/312505469.db2.gz XHCAYUHHJUIKOB-QLFBSQMISA-N 1 0 348.447 2.619 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424068083 312506479 /nfs/dbraw/zinc/50/64/79/312506479.db2.gz AHXBDEUADSFUCV-CQSZACIVSA-N 1 0 341.367 2.524 20 5 EFBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432311870 312555173 /nfs/dbraw/zinc/55/51/73/312555173.db2.gz FECWOITYUYEDPD-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCN2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433180517 312598145 /nfs/dbraw/zinc/59/81/45/312598145.db2.gz VSVNLRDLLCAFAQ-INIZCTEOSA-N 1 0 335.473 2.956 20 5 EFBDRO CS[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450409085 312692487 /nfs/dbraw/zinc/69/24/87/312692487.db2.gz XANVNZWDGGKEEO-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000450863040 312761101 /nfs/dbraw/zinc/76/11/01/312761101.db2.gz PROGPKONWGTXGR-CSMYWGQOSA-N 1 0 342.399 2.908 20 5 EFBDRO CCOC(=O)c1cc(N2CC[NH+]([C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000450865972 312761938 /nfs/dbraw/zinc/76/19/38/312761938.db2.gz XDIYBAKTBVDNDF-CYBMUJFWSA-N 1 0 335.404 2.692 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000453200326 312878784 /nfs/dbraw/zinc/87/87/84/312878784.db2.gz QSTMZDUSUKXXRX-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000453354310 312891955 /nfs/dbraw/zinc/89/19/55/312891955.db2.gz LLIJARSHTADBOT-KBPBESRZSA-N 1 0 331.376 2.930 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000453365906 312892972 /nfs/dbraw/zinc/89/29/72/312892972.db2.gz WQCSQBWTAIGUDC-BMFZPTHFSA-N 1 0 349.431 2.507 20 5 EFBDRO Cc1cnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000453408164 312900100 /nfs/dbraw/zinc/90/01/00/312900100.db2.gz SIVLHIIYKAFJKA-QGZVFWFLSA-N 1 0 326.400 2.847 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000453408602 312900359 /nfs/dbraw/zinc/90/03/59/312900359.db2.gz FLWMVLUBIZJAPV-HOTGVXAUSA-N 1 0 329.404 2.811 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000453575016 312911008 /nfs/dbraw/zinc/91/10/08/312911008.db2.gz KCBMNANHRODHIF-DLBZAZTESA-N 1 0 338.411 2.916 20 5 EFBDRO C[C@@H](CC1CCOCC1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453578094 312911466 /nfs/dbraw/zinc/91/14/66/312911466.db2.gz PXTLRYYCKMTCQC-HNNXBMFYSA-N 1 0 348.447 2.565 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000469671488 313124569 /nfs/dbraw/zinc/12/45/69/313124569.db2.gz SQPQQOXYYSVWIA-GASCZTMLSA-N 1 0 333.432 2.907 20 5 EFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472339809 313187349 /nfs/dbraw/zinc/18/73/49/313187349.db2.gz UTQYZWRBFUMOKY-DLBZAZTESA-N 1 0 333.432 2.859 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473528644 313198455 /nfs/dbraw/zinc/19/84/55/313198455.db2.gz VOUJTLKGNLBYMN-AWEZNQCLSA-N 1 0 328.416 2.955 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(F)F)CC1 ZINC000475212686 313219940 /nfs/dbraw/zinc/21/99/40/313219940.db2.gz LXHALFLYQTVQGQ-SNVBAGLBSA-N 1 0 327.331 2.947 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000480066124 313278588 /nfs/dbraw/zinc/27/85/88/313278588.db2.gz ZEEKBWQYWYRQTF-OAHLLOKOSA-N 1 0 348.447 2.777 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486963399 313353052 /nfs/dbraw/zinc/35/30/52/313353052.db2.gz FYSNTWGZBPEKPO-ZDUSSCGKSA-N 1 0 345.403 2.813 20 5 EFBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000487059139 313361626 /nfs/dbraw/zinc/36/16/26/313361626.db2.gz ISKVRFYNFIMFNS-ZDUSSCGKSA-N 1 0 329.347 2.973 20 5 EFBDRO COc1ccc(C)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489019202 313536119 /nfs/dbraw/zinc/53/61/19/313536119.db2.gz USVHKOKSMQDTFU-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489358817 313566547 /nfs/dbraw/zinc/56/65/47/313566547.db2.gz CLWIFVOCSCHFHJ-KBPBESRZSA-N 1 0 336.436 2.994 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000490553028 313657262 /nfs/dbraw/zinc/65/72/62/313657262.db2.gz XSOGWROGRLJIQD-HJWRWDBZSA-N 1 0 331.416 2.939 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000490577449 313659475 /nfs/dbraw/zinc/65/94/75/313659475.db2.gz RUTXNNAJVDFVMO-KTKRTIGZSA-N 1 0 329.400 2.695 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491280532 313726079 /nfs/dbraw/zinc/72/60/79/313726079.db2.gz VYUPDDGJQTVHSB-XQRVVYSFSA-N 1 0 335.379 2.736 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492284890 313936186 /nfs/dbraw/zinc/93/61/86/313936186.db2.gz SXHWLWVNLUGAOP-FPLPWBNLSA-N 1 0 329.400 2.695 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492511594 314019786 /nfs/dbraw/zinc/01/97/86/314019786.db2.gz QQGZVUBKOOXHFI-GLNPCMGASA-N 1 0 333.388 2.819 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000492797564 314128671 /nfs/dbraw/zinc/12/86/71/314128671.db2.gz JGQBISKUDHZITL-RLQUKKMNSA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000492797561 314128971 /nfs/dbraw/zinc/12/89/71/314128971.db2.gz JGQBISKUDHZITL-IVQNNMQUSA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000492799584 314130023 /nfs/dbraw/zinc/13/00/23/314130023.db2.gz MUGJVSLOCWYOPV-KVPUOBJLSA-N 1 0 343.427 2.941 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000492914937 314175108 /nfs/dbraw/zinc/17/51/08/314175108.db2.gz UPAARDJDCSSICC-MDZDMXLPSA-N 1 0 343.427 2.942 20 5 EFBDRO Cn1ccnc1[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927950 314181219 /nfs/dbraw/zinc/18/12/19/314181219.db2.gz SGGXLYNMFMZHDA-GMNBZTITSA-N 1 0 344.346 2.748 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493141721 314255246 /nfs/dbraw/zinc/25/52/46/314255246.db2.gz SGIWHQBBXCKRGS-IPLHWJFFSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000493173015 314266031 /nfs/dbraw/zinc/26/60/31/314266031.db2.gz SULXIIALQIIQPC-DQOPKJQZSA-N 1 0 347.390 2.738 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493192511 314271697 /nfs/dbraw/zinc/27/16/97/314271697.db2.gz DDLVHJZHOKAXHQ-YVMONPNESA-N 1 0 331.416 2.846 20 5 EFBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000493301134 314309550 /nfs/dbraw/zinc/30/95/50/314309550.db2.gz JHVWXEPBFSLCAH-MDZDMXLPSA-N 1 0 331.416 2.941 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493314395 314312913 /nfs/dbraw/zinc/31/29/13/314312913.db2.gz AQVDPGWBJSIENC-HYXAFXHYSA-N 1 0 335.379 2.595 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493353357 314326569 /nfs/dbraw/zinc/32/65/69/314326569.db2.gz NTXIKRNMXYAPJB-VFADXPBXSA-N 1 0 335.379 2.690 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493363999 314329878 /nfs/dbraw/zinc/32/98/78/314329878.db2.gz FTARYYCSMYOLTJ-NKIGNDQYSA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000494645760 314618349 /nfs/dbraw/zinc/61/83/49/314618349.db2.gz DEZGJFMQLZLAKD-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495544975 314751399 /nfs/dbraw/zinc/75/13/99/314751399.db2.gz WHVAGIJZFOSNJP-ZFWWWQNUSA-N 1 0 335.404 2.941 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000498208119 315400832 /nfs/dbraw/zinc/40/08/32/315400832.db2.gz ODYXHBOZPRGHNQ-FUHWJXTLSA-N 1 0 333.432 2.941 20 5 EFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498365687 315403612 /nfs/dbraw/zinc/40/36/12/315403612.db2.gz SVAFULOEKXQJGJ-SECBINFHSA-N 1 0 337.763 2.862 20 5 EFBDRO CC[C@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C)c1 ZINC000502590038 315435999 /nfs/dbraw/zinc/43/59/99/315435999.db2.gz BKNDJSXXBFTTKN-KXBFYZLASA-N 1 0 341.411 2.980 20 5 EFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000510970565 315512294 /nfs/dbraw/zinc/51/22/94/315512294.db2.gz WCNVQZXGKWDWKQ-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000515637601 315631442 /nfs/dbraw/zinc/63/14/42/315631442.db2.gz ATZKJENGDABMEG-ZJIFWQFVSA-N 1 0 334.416 2.893 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515988877 315646989 /nfs/dbraw/zinc/64/69/89/315646989.db2.gz PULAWIINKKAXRZ-FZKQIMNGSA-N 1 0 348.447 2.877 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000516653160 315695243 /nfs/dbraw/zinc/69/52/43/315695243.db2.gz BWUZDSVMTPJMNQ-UHFFFAOYSA-N 1 0 342.399 2.824 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000516950074 315722386 /nfs/dbraw/zinc/72/23/86/315722386.db2.gz YSNMUCKZHREQJV-QKPAOTATSA-N 1 0 334.420 2.822 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(CSCC3CC[NH2+]CC3)n2)c1 ZINC000518371445 315809764 /nfs/dbraw/zinc/80/97/64/315809764.db2.gz XZCJLCVMMLTJMG-UHFFFAOYSA-N 1 0 334.401 2.878 20 5 EFBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000521242325 316010776 /nfs/dbraw/zinc/01/07/76/316010776.db2.gz HVZDJWKYIQVOJT-AWEZNQCLSA-N 1 0 346.431 2.611 20 5 EFBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000521242329 316010921 /nfs/dbraw/zinc/01/09/21/316010921.db2.gz HVZDJWKYIQVOJT-CQSZACIVSA-N 1 0 346.431 2.611 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000521271454 316013614 /nfs/dbraw/zinc/01/36/14/316013614.db2.gz IIRAQPFQGMVVEU-AWEZNQCLSA-N 1 0 334.420 2.699 20 5 EFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000521803242 316043645 /nfs/dbraw/zinc/04/36/45/316043645.db2.gz RQEHWAVPYOFNPI-UHFFFAOYSA-N 1 0 342.399 2.845 20 5 EFBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521862741 316048202 /nfs/dbraw/zinc/04/82/02/316048202.db2.gz JSHDOENIOHDZFG-QWHCGFSZSA-N 1 0 336.413 2.617 20 5 EFBDRO Cc1c(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000521965190 316055438 /nfs/dbraw/zinc/05/54/38/316055438.db2.gz PPPUCLNDVCVABL-AWEZNQCLSA-N 1 0 333.432 2.588 20 5 EFBDRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000523709770 316136656 /nfs/dbraw/zinc/13/66/56/316136656.db2.gz PBGOPTDQSBPGTE-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H]1CC[N@H+](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000524771446 316173855 /nfs/dbraw/zinc/17/38/55/316173855.db2.gz QOHMHMTTZRXABW-NSHDSACASA-N 1 0 329.347 2.628 20 5 EFBDRO C[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000525486706 316217124 /nfs/dbraw/zinc/21/71/24/316217124.db2.gz DPBCCKUOSPGJLS-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO COC(=O)CCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000530764445 317177133 /nfs/dbraw/zinc/17/71/33/317177133.db2.gz XQTQXTMGCJBGOU-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000531376072 317258138 /nfs/dbraw/zinc/25/81/38/317258138.db2.gz SICHJOHWVWUNIS-UKRRQHHQSA-N 1 0 334.420 2.609 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000531471810 317271624 /nfs/dbraw/zinc/27/16/24/317271624.db2.gz UUTSGOLKVBMNAA-LSDHHAIUSA-N 1 0 348.447 2.994 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000531736850 317306812 /nfs/dbraw/zinc/30/68/12/317306812.db2.gz GAMSORNTOKBGJL-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCCC1 ZINC000532219446 317370771 /nfs/dbraw/zinc/37/07/71/317370771.db2.gz NLTADMFYUZMRKU-ZDUSSCGKSA-N 1 0 335.404 2.597 20 5 EFBDRO COC(=O)CC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000532721686 317434488 /nfs/dbraw/zinc/43/44/88/317434488.db2.gz WQKWFGZMKQWOQX-UHFFFAOYSA-N 1 0 336.388 2.829 20 5 EFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000532723913 317435323 /nfs/dbraw/zinc/43/53/23/317435323.db2.gz KEWUUZLFSDLTEN-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO Cn1cc(C[NH+]2CCC(CCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535782044 317610950 /nfs/dbraw/zinc/61/09/50/317610950.db2.gz ALHMJTVZVDVXFT-UHFFFAOYSA-N 1 0 344.415 2.590 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000537975150 317686744 /nfs/dbraw/zinc/68/67/44/317686744.db2.gz CWNLLXUZVIPOSY-ZDUSSCGKSA-N 1 0 327.384 2.895 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000539508438 317721811 /nfs/dbraw/zinc/72/18/11/317721811.db2.gz MRCGFZFNGDALID-BBWFWOEESA-N 1 0 332.400 2.911 20 5 EFBDRO CCc1ccc([C@@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000541985066 317800924 /nfs/dbraw/zinc/80/09/24/317800924.db2.gz REMOZPSYBPPHFJ-MRXNPFEDSA-N 1 0 330.384 2.859 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549152376 318167759 /nfs/dbraw/zinc/16/77/59/318167759.db2.gz QLIZKMVMWSYSJC-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000549719590 318180581 /nfs/dbraw/zinc/18/05/81/318180581.db2.gz CGBCSJAWIVCRMI-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO C[NH+](C)CCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000551938823 318227781 /nfs/dbraw/zinc/22/77/81/318227781.db2.gz HLCJAEPJZLTUOJ-MRXNPFEDSA-N 1 0 337.445 2.901 20 5 EFBDRO CC(C)(O)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000551969874 318231628 /nfs/dbraw/zinc/23/16/28/318231628.db2.gz MZSRJRFPDAVLTC-UHFFFAOYSA-N 1 0 344.358 2.625 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100619 318242362 /nfs/dbraw/zinc/24/23/62/318242362.db2.gz OFPDXQLNXHBBHR-YOEHRIQHSA-N 1 0 348.447 2.776 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000552939277 318266708 /nfs/dbraw/zinc/26/67/08/318266708.db2.gz FDYDNKIJDRCZDG-HIFRSBDPSA-N 1 0 333.388 2.729 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000552939278 318266737 /nfs/dbraw/zinc/26/67/37/318266737.db2.gz FDYDNKIJDRCZDG-UKRRQHHQSA-N 1 0 333.388 2.729 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000553073750 318269937 /nfs/dbraw/zinc/26/99/37/318269937.db2.gz YHQCINZIEKWVNP-ZDUSSCGKSA-N 1 0 335.404 2.610 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000553388948 318281405 /nfs/dbraw/zinc/28/14/05/318281405.db2.gz MYFVTNUFWYNJGA-CQSZACIVSA-N 1 0 347.415 2.754 20 5 EFBDRO Cc1ccccc1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554525751 318320588 /nfs/dbraw/zinc/32/05/88/318320588.db2.gz AHUJCAXNWPCJSM-UHFFFAOYSA-N 1 0 343.383 2.900 20 5 EFBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554831199 318337509 /nfs/dbraw/zinc/33/75/09/318337509.db2.gz BNEHKVOAXCKERC-YJBOKZPZSA-N 1 0 344.411 2.864 20 5 EFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556063366 318377729 /nfs/dbraw/zinc/37/77/29/318377729.db2.gz BRRFCZPWDZYXKD-BMFZPTHFSA-N 1 0 346.435 2.706 20 5 EFBDRO Cc1cccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000556140543 318380492 /nfs/dbraw/zinc/38/04/92/318380492.db2.gz ZEXPLFMGTKWCKP-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000557374694 318435324 /nfs/dbraw/zinc/43/53/24/318435324.db2.gz HYVNGACOCHAMCD-IUODEOHRSA-N 1 0 336.413 2.617 20 5 EFBDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000558501690 318472596 /nfs/dbraw/zinc/47/25/96/318472596.db2.gz NPEXBAGMBZRJGD-PMPSAXMXSA-N 1 0 337.468 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000560746912 318573758 /nfs/dbraw/zinc/57/37/58/318573758.db2.gz AHNNMXYELQINJW-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000561170179 318591083 /nfs/dbraw/zinc/59/10/83/318591083.db2.gz DUUBGHDPMOHEDX-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)cccc1[N+](=O)[O-] ZINC000562018607 318619765 /nfs/dbraw/zinc/61/97/65/318619765.db2.gz BCRYZBYLQOSSOB-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000562053110 318620363 /nfs/dbraw/zinc/62/03/63/318620363.db2.gz QBVRZXBVFRKRJI-NSHDSACASA-N 1 0 335.335 2.867 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000562107309 318621708 /nfs/dbraw/zinc/62/17/08/318621708.db2.gz QITJTDHWZYFSRN-SOUVJXGZSA-N 1 0 349.431 2.700 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000563001524 318725985 /nfs/dbraw/zinc/72/59/85/318725985.db2.gz WDLMIUHSLGUMJO-TZMCWYRMSA-N 1 0 344.358 2.750 20 5 EFBDRO Cc1ccsc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564850177 318899594 /nfs/dbraw/zinc/89/95/94/318899594.db2.gz UGHHLUJVEAWADH-CYBMUJFWSA-N 1 0 336.413 2.537 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1CCOC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566121349 319035796 /nfs/dbraw/zinc/03/57/96/319035796.db2.gz DUZQKGYGESDVPD-CQSZACIVSA-N 1 0 347.415 2.862 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000566120707 319035827 /nfs/dbraw/zinc/03/58/27/319035827.db2.gz OVRPFMNIQIQMID-YXJHDRRASA-N 1 0 334.416 2.750 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566258030 319053144 /nfs/dbraw/zinc/05/31/44/319053144.db2.gz OMLPFIMHEDNNSA-BDAKNGLRSA-N 1 0 331.825 2.582 20 5 EFBDRO COc1cc(CN[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1O ZINC000566500301 319084036 /nfs/dbraw/zinc/08/40/36/319084036.db2.gz KXVBRTDBMCKBMS-ZDUSSCGKSA-N 1 0 337.420 2.519 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630363 319097164 /nfs/dbraw/zinc/09/71/64/319097164.db2.gz JUPXWZOQLPDOJQ-GUYCJALGSA-N 1 0 337.379 2.977 20 5 EFBDRO CCc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566738500 319106409 /nfs/dbraw/zinc/10/64/09/319106409.db2.gz WXOPUVWFFWAEHM-RYUDHWBXSA-N 1 0 329.404 2.574 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000567097123 319137847 /nfs/dbraw/zinc/13/78/47/319137847.db2.gz ZNPUXOYOLBDUBH-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000567161106 319143834 /nfs/dbraw/zinc/14/38/34/319143834.db2.gz MGGNPLOJIWNPFX-LLVKDONJSA-N 1 0 335.326 2.608 20 5 EFBDRO CNc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000567375554 319165642 /nfs/dbraw/zinc/16/56/42/319165642.db2.gz PRURJXYKLLNVAL-OAHLLOKOSA-N 1 0 342.399 2.847 20 5 EFBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000567465768 319174389 /nfs/dbraw/zinc/17/43/89/319174389.db2.gz JNHXCKRTIAGFRO-AEFFLSMTSA-N 1 0 344.415 2.553 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000567810903 319213496 /nfs/dbraw/zinc/21/34/96/319213496.db2.gz LSRMVVBLCOBDIX-CQSZACIVSA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000568580148 319295606 /nfs/dbraw/zinc/29/56/06/319295606.db2.gz CWMJDBROCPQKHR-UHFFFAOYSA-N 1 0 341.346 2.913 20 5 EFBDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000568662581 319307181 /nfs/dbraw/zinc/30/71/81/319307181.db2.gz DGHFCSLJURFVMT-CPUCHLNUSA-N 1 0 333.432 2.671 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000568740521 319313564 /nfs/dbraw/zinc/31/35/64/319313564.db2.gz WCUIRAZONAJLED-OAHLLOKOSA-N 1 0 325.434 2.810 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000568780304 319318752 /nfs/dbraw/zinc/31/87/52/319318752.db2.gz WIKLXTFATWPLRJ-MAUKXSAKSA-N 1 0 347.459 2.919 20 5 EFBDRO CC(C)N1CCO[C@@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916280 319330329 /nfs/dbraw/zinc/33/03/29/319330329.db2.gz KMDZKKFAWFCFPC-IUODEOHRSA-N 1 0 346.387 2.911 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000569379769 319376084 /nfs/dbraw/zinc/37/60/84/319376084.db2.gz QGHAYUJAGHVADC-ZIAGYGMSSA-N 1 0 329.400 2.888 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000569600626 319396452 /nfs/dbraw/zinc/39/64/52/319396452.db2.gz GSRGJXMIRPGHKG-CQSZACIVSA-N 1 0 347.415 2.875 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000570521197 319485626 /nfs/dbraw/zinc/48/56/26/319485626.db2.gz IIWNCOYPMFOVHK-SUMWQHHRSA-N 1 0 343.427 2.516 20 5 EFBDRO COc1cccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000570794536 319513297 /nfs/dbraw/zinc/51/32/97/319513297.db2.gz XAIGYBKSCIJYIK-OAHLLOKOSA-N 1 0 343.383 2.813 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000572104013 319637220 /nfs/dbraw/zinc/63/72/20/319637220.db2.gz JXYXOWDFAUOCLF-ZACQAIPSSA-N 1 0 349.479 2.985 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000572585802 319684334 /nfs/dbraw/zinc/68/43/34/319684334.db2.gz VKEYKSSYGDAFDO-RDJZCZTQSA-N 1 0 346.431 2.659 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574495931 319867218 /nfs/dbraw/zinc/86/72/18/319867218.db2.gz MWORPZGILRRLQP-AWEZNQCLSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000574923941 319908736 /nfs/dbraw/zinc/90/87/36/319908736.db2.gz JQSNRSYMJSOMBK-GFCCVEGCSA-N 1 0 337.445 2.663 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000574982261 319913587 /nfs/dbraw/zinc/91/35/87/319913587.db2.gz UOJPPVMEMPXYCH-LLVKDONJSA-N 1 0 325.434 2.810 20 5 EFBDRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000575195187 319933871 /nfs/dbraw/zinc/93/38/71/319933871.db2.gz DSLYXHGAAMANNR-INIZCTEOSA-N 1 0 343.358 2.741 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000575752912 319950841 /nfs/dbraw/zinc/95/08/41/319950841.db2.gz QLXIWPCCAQWXIV-RDTXWAMCSA-N 1 0 334.416 2.989 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000576172094 319990998 /nfs/dbraw/zinc/99/09/98/319990998.db2.gz DBBXVXMFZPRJJU-SUMWQHHRSA-N 1 0 328.368 2.612 20 5 EFBDRO Cn1nccc1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000576780525 320048007 /nfs/dbraw/zinc/04/80/07/320048007.db2.gz NUJXMWIGSMWYSE-LBPRGKRZSA-N 1 0 340.387 2.584 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000577622910 320128776 /nfs/dbraw/zinc/12/87/76/320128776.db2.gz XBNXIUMYZBKVIN-NSHDSACASA-N 1 0 348.371 2.536 20 5 EFBDRO C[C@H](CCc1cccn1C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577860170 320152065 /nfs/dbraw/zinc/15/20/65/320152065.db2.gz RBFMGUGKJZTIAK-CQSZACIVSA-N 1 0 344.415 2.873 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(CO)c2)n1 ZINC000577969808 320160933 /nfs/dbraw/zinc/16/09/33/320160933.db2.gz KAIOSKLUJBZUBA-CVEARBPZSA-N 1 0 330.388 2.557 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(CO)c2)n1 ZINC000577969810 320161009 /nfs/dbraw/zinc/16/10/09/320161009.db2.gz KAIOSKLUJBZUBA-HZPDHXFCSA-N 1 0 330.388 2.557 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000578316674 320194081 /nfs/dbraw/zinc/19/40/81/320194081.db2.gz FJRDBDDSHPYOLY-JTQLQIEISA-N 1 0 326.702 2.694 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000181356302 323233131 /nfs/dbraw/zinc/23/31/31/323233131.db2.gz GMTSEFOOINKWTE-CYBMUJFWSA-N 1 0 342.746 2.694 20 5 EFBDRO COCCCOCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000181538255 323238743 /nfs/dbraw/zinc/23/87/43/323238743.db2.gz VYNRYUOPFJJLDY-UHFFFAOYSA-N 1 0 333.388 2.941 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000181844310 323253137 /nfs/dbraw/zinc/25/31/37/323253137.db2.gz MRFBITYODCYOJA-HUUCEWRRSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181909936 323254729 /nfs/dbraw/zinc/25/47/29/323254729.db2.gz LYVBQNICJUTCIA-ZIAGYGMSSA-N 1 0 340.445 2.879 20 5 EFBDRO CC(C)(C)C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000182083629 323263384 /nfs/dbraw/zinc/26/33/84/323263384.db2.gz KCSSRIUUIGBBNN-AWEZNQCLSA-N 1 0 326.441 2.546 20 5 EFBDRO CC[N@H+](CCc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182213934 323269089 /nfs/dbraw/zinc/26/90/89/323269089.db2.gz UQQCICFRRBPXOM-KRWDZBQOSA-N 1 0 344.411 2.899 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000182250986 323272515 /nfs/dbraw/zinc/27/25/15/323272515.db2.gz XPKOZHXVEQHYQP-OCCSQVGLSA-N 1 0 341.795 2.734 20 5 EFBDRO C[C@@H](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182257957 323272591 /nfs/dbraw/zinc/27/25/91/323272591.db2.gz NJEIAUNVRUCODY-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000182369441 323279369 /nfs/dbraw/zinc/27/93/69/323279369.db2.gz RORDTRJZDNYYOT-GOEBONIOSA-N 1 0 335.404 2.779 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000182509671 323286758 /nfs/dbraw/zinc/28/67/58/323286758.db2.gz IAGZZJRBPAIRRZ-SIUPPRGNSA-N 1 0 334.416 2.845 20 5 EFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000183211505 323323127 /nfs/dbraw/zinc/32/31/27/323323127.db2.gz PJTOECPMHUSLMZ-LBPRGKRZSA-N 1 0 337.420 2.806 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113089 323356412 /nfs/dbraw/zinc/35/64/12/323356412.db2.gz UISGQTQOFJJUAA-BLLLJJGKSA-N 1 0 337.395 2.636 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185001834 323379845 /nfs/dbraw/zinc/37/98/45/323379845.db2.gz UODZHDHEEYVZIQ-ZDUSSCGKSA-N 1 0 339.411 2.884 20 5 EFBDRO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185129943 323384186 /nfs/dbraw/zinc/38/41/86/323384186.db2.gz PHHUUSLIGQEOJX-TZMCWYRMSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185170105 323384966 /nfs/dbraw/zinc/38/49/66/323384966.db2.gz IXIKCZNFXUWHKW-RYUDHWBXSA-N 1 0 325.384 2.684 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185379108 323389821 /nfs/dbraw/zinc/38/98/21/323389821.db2.gz ROQDUCLXHVPRDK-STQMWFEESA-N 1 0 337.395 2.638 20 5 EFBDRO C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897710 323400576 /nfs/dbraw/zinc/40/05/76/323400576.db2.gz UJRNBEBKCBEHSO-MEDUHNTESA-N 1 0 347.802 2.995 20 5 EFBDRO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000194414663 323507034 /nfs/dbraw/zinc/50/70/34/323507034.db2.gz QYVZTDFUQNIOAT-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296531143 323545582 /nfs/dbraw/zinc/54/55/82/323545582.db2.gz DCEJVLKPSHLDKP-MEDUHNTESA-N 1 0 331.328 2.887 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000296803855 323629910 /nfs/dbraw/zinc/62/99/10/323629910.db2.gz QXCKSIGBZXJFGC-UHFFFAOYSA-N 1 0 326.372 2.846 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296809025 323631391 /nfs/dbraw/zinc/63/13/91/323631391.db2.gz LVKYWEWBEKUNCN-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCF)c1 ZINC000379437039 323738137 /nfs/dbraw/zinc/73/81/37/323738137.db2.gz HYBDBFNCGUGXCL-UHFFFAOYSA-N 1 0 338.120 2.649 20 5 EFBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578859589 323826591 /nfs/dbraw/zinc/82/65/91/323826591.db2.gz FFJWFZRPNPTCHY-RHSMWYFYSA-N 1 0 342.395 2.920 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000579812838 324036557 /nfs/dbraw/zinc/03/65/57/324036557.db2.gz KYNUEJAXYPBXQX-HNNXBMFYSA-N 1 0 336.775 2.778 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579960749 324067751 /nfs/dbraw/zinc/06/77/51/324067751.db2.gz NNXRNDOOEBNVAM-IBGZPJMESA-N 1 0 339.395 2.896 20 5 EFBDRO CCc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581007378 324285766 /nfs/dbraw/zinc/28/57/66/324285766.db2.gz NMRDRWDAOMMUMN-MRXNPFEDSA-N 1 0 330.384 2.687 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000491827327 468365066 /nfs/dbraw/zinc/36/50/66/468365066.db2.gz GAWAMMGZTNLNOC-PLNGDYQASA-N 1 0 335.323 2.827 20 5 EFBDRO CCC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090182679 472607498 /nfs/dbraw/zinc/60/74/98/472607498.db2.gz ORBKPBPGZFIPDD-HNNXBMFYSA-N 1 0 340.445 2.850 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000081569340 473221964 /nfs/dbraw/zinc/22/19/64/473221964.db2.gz LFJYAVWTZFQQBS-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000139074819 473226240 /nfs/dbraw/zinc/22/62/40/473226240.db2.gz FJUMTTWTHWXPTR-INMHGKMJSA-N 1 0 333.432 2.668 20 5 EFBDRO C[C@H]1OCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000139126593 473227755 /nfs/dbraw/zinc/22/77/55/473227755.db2.gz JJBSJDOJJMFJPA-QWHCGFSZSA-N 1 0 331.372 2.902 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124327590 473233160 /nfs/dbraw/zinc/23/31/60/473233160.db2.gz WLPNTTMNWKBLAE-ZDUSSCGKSA-N 1 0 331.338 2.877 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161408459 473234020 /nfs/dbraw/zinc/23/40/20/473234020.db2.gz XQFBOLWJEGEZGB-AWEZNQCLSA-N 1 0 327.388 2.512 20 5 EFBDRO C[C@@]1(O)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124300688 473229989 /nfs/dbraw/zinc/22/99/89/473229989.db2.gz VWMIXLDGNNBTNY-QGZVFWFLSA-N 1 0 331.372 2.639 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000095966487 473232869 /nfs/dbraw/zinc/23/28/69/473232869.db2.gz RZSBKEHKBPFTEY-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000095965558 473232922 /nfs/dbraw/zinc/23/29/22/473232922.db2.gz OHLRARAZESRZDZ-CXAGYDPISA-N 1 0 327.384 2.889 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139732168 473237398 /nfs/dbraw/zinc/23/73/98/473237398.db2.gz PBDQKZMDYXWFFM-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000139963624 473240277 /nfs/dbraw/zinc/24/02/77/473240277.db2.gz NSFYJDATUDIMBG-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@H+](CCN1CCc2ncc([N+](=O)[O-])cc2C1)Cc1ccc(F)cc1 ZINC000161669173 473251691 /nfs/dbraw/zinc/25/16/91/473251691.db2.gz MMELIENNONQCQC-UHFFFAOYSA-N 1 0 344.390 2.619 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000161674193 473252486 /nfs/dbraw/zinc/25/24/86/473252486.db2.gz OUWQLAXZSYIRBD-WPRPVWTQSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000171041230 473261485 /nfs/dbraw/zinc/26/14/85/473261485.db2.gz UJZJRUXAFCZRFW-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000190406885 473262401 /nfs/dbraw/zinc/26/24/01/473262401.db2.gz VGWHEJUDWZZSKG-ZDUSSCGKSA-N 1 0 349.431 2.762 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000190410958 473264910 /nfs/dbraw/zinc/26/49/10/473264910.db2.gz OGDUFKAEGJIPQA-LBPRGKRZSA-N 1 0 326.418 2.667 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000143087658 473271777 /nfs/dbraw/zinc/27/17/77/473271777.db2.gz QQCCBSQHHVXKDZ-QGZVFWFLSA-N 1 0 339.395 2.528 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)cc1 ZINC000143254611 473273592 /nfs/dbraw/zinc/27/35/92/473273592.db2.gz GGPGYEAWHFPEEI-QGZVFWFLSA-N 1 0 342.399 2.798 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000081941382 473275782 /nfs/dbraw/zinc/27/57/82/473275782.db2.gz CUEGLZNBRRAMIP-VIFPVBQESA-N 1 0 329.198 2.506 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000487651207 468048242 /nfs/dbraw/zinc/04/82/42/468048242.db2.gz XUQQAMQJLWILQP-JSGCOSHPSA-N 1 0 331.376 2.930 20 5 EFBDRO C[C@H]1CSCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190455634 473280382 /nfs/dbraw/zinc/28/03/82/473280382.db2.gz DHUKAICBOHDIPE-LLVKDONJSA-N 1 0 334.401 2.830 20 5 EFBDRO C[C@@H]1CSCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190480156 473288478 /nfs/dbraw/zinc/28/84/78/473288478.db2.gz IBAJPUMGSSCKPM-JTQLQIEISA-N 1 0 343.836 2.872 20 5 EFBDRO C[N@@H+]1CCC[C@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124713585 473291776 /nfs/dbraw/zinc/29/17/76/473291776.db2.gz DOBBJTULBKGNOW-HNNXBMFYSA-N 1 0 333.432 2.922 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000177066995 473299517 /nfs/dbraw/zinc/29/95/17/473299517.db2.gz YTICHWHUKBTGIG-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO Cc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083026337 473312882 /nfs/dbraw/zinc/31/28/82/473312882.db2.gz FUTDPFISTPECFV-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112820893 473316778 /nfs/dbraw/zinc/31/67/78/473316778.db2.gz FRAYHKLNHNNHPN-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000148403620 473317786 /nfs/dbraw/zinc/31/77/86/473317786.db2.gz MCXJMPQONAQNKZ-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000185082000 473321406 /nfs/dbraw/zinc/32/14/06/473321406.db2.gz HYNUJBRBZUSCFZ-AWEZNQCLSA-N 1 0 347.371 2.538 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000083171095 473327037 /nfs/dbraw/zinc/32/70/37/473327037.db2.gz OEDDQHSZGINVFM-CQSZACIVSA-N 1 0 330.388 2.796 20 5 EFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cn1 ZINC000083216966 473332659 /nfs/dbraw/zinc/33/26/59/473332659.db2.gz XOKBBCUBBPLVTL-GFCCVEGCSA-N 1 0 341.371 2.534 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214361 473333501 /nfs/dbraw/zinc/33/35/01/473333501.db2.gz GSDVUXJUDZIXDP-CYBMUJFWSA-N 1 0 332.404 2.900 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214494 473333507 /nfs/dbraw/zinc/33/35/07/473333507.db2.gz HYHFKCOWMQSMPT-CYBMUJFWSA-N 1 0 332.404 2.900 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185128923 473337696 /nfs/dbraw/zinc/33/76/96/473337696.db2.gz IPKKPKPLUVNXAX-HIFRSBDPSA-N 1 0 349.406 2.924 20 5 EFBDRO CCCN(CC[NH+](CC)CC)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000162428327 473338178 /nfs/dbraw/zinc/33/81/78/473338178.db2.gz QHJHOJMMLDNNMJ-UHFFFAOYSA-N 1 0 336.436 2.513 20 5 EFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000125032216 473344389 /nfs/dbraw/zinc/34/43/89/473344389.db2.gz DIGHBXPMTHQKGR-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185170800 473350543 /nfs/dbraw/zinc/35/05/43/473350543.db2.gz FEWKSDJUTQJXHE-OCCSQVGLSA-N 1 0 335.379 2.534 20 5 EFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000150801912 473357514 /nfs/dbraw/zinc/35/75/14/473357514.db2.gz NYHFAFCMURMLEM-UHFFFAOYSA-N 1 0 334.763 2.714 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185196821 473359415 /nfs/dbraw/zinc/35/94/15/473359415.db2.gz SSBADHXFNFMQAJ-WFASDCNBSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185196838 473360171 /nfs/dbraw/zinc/36/01/71/473360171.db2.gz SSBADHXFNFMQAJ-DOMZBBRYSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]([NH3+])c1ccccc1 ZINC000150845183 473365584 /nfs/dbraw/zinc/36/55/84/473365584.db2.gz DUWHQDSAAKHFDK-PXAZEXFGSA-N 1 0 325.368 2.820 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1[N+](=O)[O-] ZINC000171370911 473372939 /nfs/dbraw/zinc/37/29/39/473372939.db2.gz FOMDYBYOWSVCOT-UHFFFAOYSA-N 1 0 345.403 2.974 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000113247803 473374071 /nfs/dbraw/zinc/37/40/71/473374071.db2.gz DCWCMYXLIYTPQO-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCCC[N@@H+]3C3CC3)c2c1 ZINC000617976656 469863158 /nfs/dbraw/zinc/86/31/58/469863158.db2.gz ISGVHRIRCQQFLD-CQSZACIVSA-N 1 0 327.388 2.967 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000162754357 473378964 /nfs/dbraw/zinc/37/89/64/473378964.db2.gz UYHWTBQCLMDLAC-GXTWGEPZSA-N 1 0 331.372 2.807 20 5 EFBDRO Cc1c(CC(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000162755797 473379703 /nfs/dbraw/zinc/37/97/03/473379703.db2.gz FGONJOQODPHWKZ-UHFFFAOYSA-N 1 0 341.411 2.694 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185265599 473380066 /nfs/dbraw/zinc/38/00/66/473380066.db2.gz QNMBRLBTQHDXFN-KBPBESRZSA-N 1 0 349.406 2.782 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190750040 473382516 /nfs/dbraw/zinc/38/25/16/473382516.db2.gz NOHOINCOTMLZKQ-HNNXBMFYSA-N 1 0 347.415 2.612 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000609849389 469965655 /nfs/dbraw/zinc/96/56/55/469965655.db2.gz PPTRUAQWOZJJJD-CQSZACIVSA-N 1 0 327.344 2.846 20 5 EFBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000619759443 479876000 /nfs/dbraw/zinc/87/60/00/479876000.db2.gz LIWHVMVEIJTASM-CQSZACIVSA-N 1 0 348.447 2.509 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000346954004 475986341 /nfs/dbraw/zinc/98/63/41/475986341.db2.gz MZERYEFBMOZZKK-KCQAQPDRSA-N 1 0 333.432 2.999 20 5 EFBDRO CO[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000338545724 476000657 /nfs/dbraw/zinc/00/06/57/476000657.db2.gz IXMFQDVAKXYRSU-WBVHZDCISA-N 1 0 342.399 2.864 20 5 EFBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000452115081 476834924 /nfs/dbraw/zinc/83/49/24/476834924.db2.gz KUWRCOJLNAKTRV-ZDUSSCGKSA-N 1 0 325.384 2.657 20 5 EFBDRO [NH3+]C1(c2noc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCCCC1 ZINC000424338995 477375346 /nfs/dbraw/zinc/37/53/46/477375346.db2.gz BTTKKFRJQNZAJO-UHFFFAOYSA-N 1 0 346.343 2.534 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCc3ccccc3)CC2)n1 ZINC000595481035 478810850 /nfs/dbraw/zinc/81/08/50/478810850.db2.gz NANDLAXMMSZHEM-UHFFFAOYSA-N 1 0 330.388 2.645 20 5 EFBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000602578185 479407565 /nfs/dbraw/zinc/40/75/65/479407565.db2.gz KSCFAGDENZZKLZ-AGGWBTHJSA-N 1 0 334.420 2.504 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCN2CC=CCC2)cc1Br ZINC000602638212 479440528 /nfs/dbraw/zinc/44/05/28/479440528.db2.gz NQRNPQSZCIDHJE-UHFFFAOYSA-N 1 0 346.250 2.770 20 5 EFBDRO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000003294997 471441819 /nfs/dbraw/zinc/44/18/19/471441819.db2.gz LWYPBQSLBNZWSI-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007385879 471611242 /nfs/dbraw/zinc/61/12/42/471611242.db2.gz KVCWCUXWNZVGKM-UPJWGTAASA-N 1 0 335.404 2.908 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008130549 471664056 /nfs/dbraw/zinc/66/40/56/471664056.db2.gz WJZFAGBJAMTNKB-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008430975 471687988 /nfs/dbraw/zinc/68/79/88/471687988.db2.gz KXBNZAMQIMIDRA-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000010446661 471736076 /nfs/dbraw/zinc/73/60/76/471736076.db2.gz PLUCNWUTCKNKIE-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000010490623 471736460 /nfs/dbraw/zinc/73/64/60/471736460.db2.gz JODQPWXJERLYAK-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CSc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000014528165 471873627 /nfs/dbraw/zinc/87/36/27/471873627.db2.gz IASZEJJULDKROG-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000067004122 471980764 /nfs/dbraw/zinc/98/07/64/471980764.db2.gz GAVODGALKMCSIT-KRWDZBQOSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000053231060 471986029 /nfs/dbraw/zinc/98/60/29/471986029.db2.gz KTKHYGGTUMDRGV-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000067140049 471996249 /nfs/dbraw/zinc/99/62/49/471996249.db2.gz IGLLXLLHBKOBGS-QGZVFWFLSA-N 1 0 341.411 2.806 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000053403887 472004711 /nfs/dbraw/zinc/00/47/11/472004711.db2.gz MAUSYYQBTRSAQI-AWEZNQCLSA-N 1 0 349.431 2.600 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067264769 472011356 /nfs/dbraw/zinc/01/13/56/472011356.db2.gz UFPPTKPDXUNIAG-UHFFFAOYSA-N 1 0 349.431 2.600 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550035 472018695 /nfs/dbraw/zinc/01/86/95/472018695.db2.gz PGVJUMUDITVPIT-AWEZNQCLSA-N 1 0 348.428 2.731 20 5 EFBDRO CNC(=O)c1ccc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000053549486 472019002 /nfs/dbraw/zinc/01/90/02/472019002.db2.gz PHTYMWAHGNPXIZ-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000053561616 472019835 /nfs/dbraw/zinc/01/98/35/472019835.db2.gz MCCSNDSDJJWQNC-STQMWFEESA-N 1 0 334.420 2.629 20 5 EFBDRO CNC(=O)c1ccc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053576823 472021451 /nfs/dbraw/zinc/02/14/51/472021451.db2.gz BWLCDMPPGRXWFQ-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000067373348 472024825 /nfs/dbraw/zinc/02/48/25/472024825.db2.gz JNTLIKKVQGKDGL-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO COc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000039563962 472025531 /nfs/dbraw/zinc/02/55/31/472025531.db2.gz VOHSFAJJUOENMQ-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000067548871 472047475 /nfs/dbraw/zinc/04/74/75/472047475.db2.gz MHHQMCLIUQLBCM-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000024643392 472062135 /nfs/dbraw/zinc/06/21/35/472062135.db2.gz RYEZDBLARITZMI-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000041676930 472079007 /nfs/dbraw/zinc/07/90/07/472079007.db2.gz KUNHDHJEIAGWOO-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000067724759 472079815 /nfs/dbraw/zinc/07/98/15/472079815.db2.gz ACMDWBMASIATQS-HNNXBMFYSA-N 1 0 348.428 2.758 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000067724772 472079897 /nfs/dbraw/zinc/07/98/97/472079897.db2.gz DZBCVDRMUOIHDV-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)NCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000067722803 472079991 /nfs/dbraw/zinc/07/99/91/472079991.db2.gz QHANNEZAFABFQX-KBXCAEBGSA-N 1 0 348.447 2.905 20 5 EFBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000054359636 472080482 /nfs/dbraw/zinc/08/04/82/472080482.db2.gz QGZXLGFVSJZMQA-UHFFFAOYSA-N 1 0 344.371 2.742 20 5 EFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000042048569 472109076 /nfs/dbraw/zinc/10/90/76/472109076.db2.gz ZOOMZQLPRXDXEB-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccsc1 ZINC000042075231 472111029 /nfs/dbraw/zinc/11/10/29/472111029.db2.gz HNRIYEFRTPVSBE-AWEZNQCLSA-N 1 0 336.417 2.797 20 5 EFBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000026476353 472138706 /nfs/dbraw/zinc/13/87/06/472138706.db2.gz WXMJDZFVWGJXIG-DZGCQCFKSA-N 1 0 331.416 2.994 20 5 EFBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCc2ccccc2C1 ZINC000026727831 472146003 /nfs/dbraw/zinc/14/60/03/472146003.db2.gz KLEYBEJRESQDQM-MRXNPFEDSA-N 1 0 343.431 2.823 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055177861 472147702 /nfs/dbraw/zinc/14/77/02/472147702.db2.gz MQSIXGHGELYUJJ-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055177859 472148510 /nfs/dbraw/zinc/14/85/10/472148510.db2.gz MQSIXGHGELYUJJ-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000042626984 472151901 /nfs/dbraw/zinc/15/19/01/472151901.db2.gz HQIKAGHFDVKPHB-QFBILLFUSA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000055362648 472173464 /nfs/dbraw/zinc/17/34/64/472173464.db2.gz FEJSPPHWCZIMLV-CABCVRRESA-N 1 0 349.431 2.743 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000068449969 472193682 /nfs/dbraw/zinc/19/36/82/472193682.db2.gz KZWOXBOXKUAALW-CMDGGOBGSA-N 1 0 331.416 2.989 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000027757650 472194691 /nfs/dbraw/zinc/19/46/91/472194691.db2.gz TXENMHHVBBEUBJ-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000043146846 472204105 /nfs/dbraw/zinc/20/41/05/472204105.db2.gz BGQOGQGITGOOMW-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075849356 472206268 /nfs/dbraw/zinc/20/62/68/472206268.db2.gz OMQXOLXFXTZZQW-NSHDSACASA-N 1 0 335.429 2.531 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000068777934 472239762 /nfs/dbraw/zinc/23/97/62/472239762.db2.gz AFXHTIWDBUBPCE-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CCCNC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055901080 472253487 /nfs/dbraw/zinc/25/34/87/472253487.db2.gz NCAZGYKOAXRONT-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[N@H+](CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000029177218 472257190 /nfs/dbraw/zinc/25/71/90/472257190.db2.gz VLKQUMOGQFDCGB-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000043750409 472259096 /nfs/dbraw/zinc/25/90/96/472259096.db2.gz JJXDUTQFIVKVEU-AWEZNQCLSA-N 1 0 339.395 2.771 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000085636001 472262662 /nfs/dbraw/zinc/26/26/62/472262662.db2.gz ROLFGJYTLLJREL-UONOGXRCSA-N 1 0 332.404 2.912 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000085688236 472263768 /nfs/dbraw/zinc/26/37/68/472263768.db2.gz PZFSZOXRKMJCHR-LLVKDONJSA-N 1 0 338.408 2.555 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000068935790 472267735 /nfs/dbraw/zinc/26/77/35/472267735.db2.gz LAYRJYBAGMYTNJ-LLVKDONJSA-N 1 0 325.796 2.708 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000056042858 472274459 /nfs/dbraw/zinc/27/44/59/472274459.db2.gz KMXUQBBXAVLQJJ-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056043134 472275284 /nfs/dbraw/zinc/27/52/84/472275284.db2.gz NYXPLMGCVXHXTB-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000029488996 472278410 /nfs/dbraw/zinc/27/84/10/472278410.db2.gz XWRLKXAGBMUGSF-MRXNPFEDSA-N 1 0 325.368 2.813 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029488998 472278434 /nfs/dbraw/zinc/27/84/34/472278434.db2.gz XWRLKXAGBMUGSF-INIZCTEOSA-N 1 0 325.368 2.813 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000069034810 472281092 /nfs/dbraw/zinc/28/10/92/472281092.db2.gz UDEJKWPVVXNZNW-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000069081857 472288425 /nfs/dbraw/zinc/28/84/25/472288425.db2.gz MHCBLLMJTUOAKP-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000076169825 472289944 /nfs/dbraw/zinc/28/99/44/472289944.db2.gz JQVAOKGTULPTPY-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000029725400 472292822 /nfs/dbraw/zinc/29/28/22/472292822.db2.gz JWVLTLGBJJTWIW-SNVBAGLBSA-N 1 0 347.371 2.525 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000069137908 472297460 /nfs/dbraw/zinc/29/74/60/472297460.db2.gz XSVRLBNTVURMCN-ZDUSSCGKSA-N 1 0 337.445 2.535 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087167648 472311750 /nfs/dbraw/zinc/31/17/50/472311750.db2.gz DAKDDHNGRMKBHE-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044582644 472320217 /nfs/dbraw/zinc/32/02/17/472320217.db2.gz MJRWYKYJDQTEHC-VXGBXAGGSA-N 1 0 325.434 2.754 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccco1 ZINC000030276782 472322874 /nfs/dbraw/zinc/32/28/74/472322874.db2.gz YPYKSCRDZGZHAY-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000056529059 472333211 /nfs/dbraw/zinc/33/32/11/472333211.db2.gz MYEBUQOCRBGUQJ-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088229866 472349832 /nfs/dbraw/zinc/34/98/32/472349832.db2.gz PJERWAQWLJFCGR-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004769 472372941 /nfs/dbraw/zinc/37/29/41/472372941.db2.gz UIIMVHOMNVAZIG-HUUCEWRRSA-N 1 0 348.447 2.762 20 5 EFBDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000088562283 472373777 /nfs/dbraw/zinc/37/37/77/472373777.db2.gz KWQPMJOSLALLJN-OAHLLOKOSA-N 1 0 329.404 2.522 20 5 EFBDRO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCCC1 ZINC000089204714 472391380 /nfs/dbraw/zinc/39/13/80/472391380.db2.gz JEFVEURSZUYOQV-LLVKDONJSA-N 1 0 331.376 2.674 20 5 EFBDRO CC(C)COC(=O)N1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000089157520 472391744 /nfs/dbraw/zinc/39/17/44/472391744.db2.gz VWXYZZSMCYILFY-UHFFFAOYSA-N 1 0 349.431 2.984 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000154194471 472401685 /nfs/dbraw/zinc/40/16/85/472401685.db2.gz CBUXTMMKQIJFFQ-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076795362 472405703 /nfs/dbraw/zinc/40/57/03/472405703.db2.gz BWDQDGSRWWKIIC-CYBMUJFWSA-N 1 0 334.420 2.760 20 5 EFBDRO CN(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000128208069 472417648 /nfs/dbraw/zinc/41/76/48/472417648.db2.gz XTSITLXRCSLMLE-CYBMUJFWSA-N 1 0 337.763 2.874 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000045527867 472419969 /nfs/dbraw/zinc/41/99/69/472419969.db2.gz RBKQVMFYUJETOS-KRWDZBQOSA-N 1 0 339.395 2.908 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069776612 472428188 /nfs/dbraw/zinc/42/81/88/472428188.db2.gz OCMKQAMTTPEZAS-CQSZACIVSA-N 1 0 334.420 2.782 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000097078700 472431902 /nfs/dbraw/zinc/43/19/02/472431902.db2.gz LYPPTDPFTUEMCX-CYBMUJFWSA-N 1 0 336.436 2.877 20 5 EFBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCc2ccccc2C1 ZINC000032445820 472437361 /nfs/dbraw/zinc/43/73/61/472437361.db2.gz PHMWILQRJIEURE-OAHLLOKOSA-N 1 0 343.383 2.755 20 5 EFBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000128344110 472437954 /nfs/dbraw/zinc/43/79/54/472437954.db2.gz DWCAUGQNJYGRJK-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154527356 472442802 /nfs/dbraw/zinc/44/28/02/472442802.db2.gz UTPYDYQJNZMPLJ-MRXNPFEDSA-N 1 0 334.464 2.663 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069849332 472451127 /nfs/dbraw/zinc/45/11/27/472451127.db2.gz BAQKLAQCEYVPNS-SCOAYWHSSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000077140398 472458436 /nfs/dbraw/zinc/45/84/36/472458436.db2.gz UCUXREDVWAYJNL-CQSZACIVSA-N 1 0 342.399 2.660 20 5 EFBDRO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154661473 472459049 /nfs/dbraw/zinc/45/90/49/472459049.db2.gz WSWHSQKJKWLDLH-MOPGFXCFSA-N 1 0 344.411 2.901 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000032732437 472459100 /nfs/dbraw/zinc/45/91/00/472459100.db2.gz NOOFTMHVBLKLJT-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000089580959 472461355 /nfs/dbraw/zinc/46/13/55/472461355.db2.gz BDZBDMWPYBLTNO-UHFFFAOYSA-N 1 0 348.428 2.689 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762319 472465098 /nfs/dbraw/zinc/46/50/98/472465098.db2.gz LRFZJQWMVSWKOZ-CQSZACIVSA-N 1 0 348.428 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000089602993 472467313 /nfs/dbraw/zinc/46/73/13/472467313.db2.gz KAXHFUIRJLBOGL-INIZCTEOSA-N 1 0 342.399 2.808 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000077211538 472475395 /nfs/dbraw/zinc/47/53/95/472475395.db2.gz FZPFVCSNZKKRIV-CQSZACIVSA-N 1 0 336.413 2.836 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000033006431 472488457 /nfs/dbraw/zinc/48/84/57/472488457.db2.gz XNPSUYIDQNUYPT-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000057913040 472491928 /nfs/dbraw/zinc/49/19/28/472491928.db2.gz MGIWGMUAAHBMGS-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000046056204 472503709 /nfs/dbraw/zinc/50/37/09/472503709.db2.gz OTWXZJSNLYSHGV-UHFFFAOYSA-N 1 0 344.367 2.877 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000046071991 472507783 /nfs/dbraw/zinc/50/77/83/472507783.db2.gz LXVAWBQHILFOIL-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155118658 472509899 /nfs/dbraw/zinc/50/98/99/472509899.db2.gz NJPHUWWQLVANME-UHFFFAOYSA-N 1 0 349.431 2.648 20 5 EFBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077377970 472515081 /nfs/dbraw/zinc/51/50/81/472515081.db2.gz UWTRSSJOAJWOAY-UHFFFAOYSA-N 1 0 337.379 2.763 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000098055686 472516347 /nfs/dbraw/zinc/51/63/47/472516347.db2.gz UFZYOOPNNCFIKD-JJEJIETFSA-N 1 0 329.400 2.695 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000129063559 472519387 /nfs/dbraw/zinc/51/93/87/472519387.db2.gz QJLLBKVLDWZMFM-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892692 472535714 /nfs/dbraw/zinc/53/57/14/472535714.db2.gz PKYFQISDTAUXOG-MRXNPFEDSA-N 1 0 330.388 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CCO)C3)co2)cc1 ZINC000089893169 472537741 /nfs/dbraw/zinc/53/77/41/472537741.db2.gz CEMXQSHHPAEKPF-ZDUSSCGKSA-N 1 0 331.372 2.844 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000058298001 472540070 /nfs/dbraw/zinc/54/00/70/472540070.db2.gz RWRYXOBBZFHXJR-UHFFFAOYSA-N 1 0 343.383 2.568 20 5 EFBDRO CN(C)c1cccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000089921818 472545926 /nfs/dbraw/zinc/54/59/26/472545926.db2.gz FNOAAYLARLSFRP-SFHVURJKSA-N 1 0 329.400 2.826 20 5 EFBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927422 472547545 /nfs/dbraw/zinc/54/75/45/472547545.db2.gz ZNUYWMBPFGFGDY-TZMCWYRMSA-N 1 0 331.372 2.843 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000077558897 472556853 /nfs/dbraw/zinc/55/68/53/472556853.db2.gz OTVSMPVVNOEKPP-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077587909 472562535 /nfs/dbraw/zinc/56/25/35/472562535.db2.gz NWPCGCXNAXWDNR-UHFFFAOYSA-N 1 0 349.431 2.695 20 5 EFBDRO C[C@H](CCN1CCOCC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047007 472585929 /nfs/dbraw/zinc/58/59/29/472585929.db2.gz SWFJXDLTEBNPIO-CRAIPNDOSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000102637295 472586150 /nfs/dbraw/zinc/58/61/50/472586150.db2.gz DRKIUQZCRWWLPU-CQSZACIVSA-N 1 0 348.447 2.633 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650695 472588948 /nfs/dbraw/zinc/58/89/48/472588948.db2.gz QKNOTUWWZQGYRE-HOCLYGCPSA-N 1 0 334.464 2.580 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886439 472599386 /nfs/dbraw/zinc/59/93/86/472599386.db2.gz KGPTUEWUDFXLPT-JEJOPICUSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102926241 472599831 /nfs/dbraw/zinc/59/98/31/472599831.db2.gz VUJRABXUBUNQHM-CYBMUJFWSA-N 1 0 347.371 2.527 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155719191 472602527 /nfs/dbraw/zinc/60/25/27/472602527.db2.gz LOJQOBDGVRHGDO-CYBMUJFWSA-N 1 0 337.445 2.954 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000058831062 472605357 /nfs/dbraw/zinc/60/53/57/472605357.db2.gz SOJNLETYVPARRL-UHFFFAOYSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000120040225 472620156 /nfs/dbraw/zinc/62/01/56/472620156.db2.gz XNXQXUXIBVKWKX-AWEZNQCLSA-N 1 0 330.388 2.690 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C1CC1 ZINC000090454151 472620363 /nfs/dbraw/zinc/62/03/63/472620363.db2.gz OMXKVRORKIQZFF-WBVHZDCISA-N 1 0 326.400 2.786 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046953882 472629047 /nfs/dbraw/zinc/62/90/47/472629047.db2.gz GJRJROKHUMNAOK-UONOGXRCSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000120093232 472629166 /nfs/dbraw/zinc/62/91/66/472629166.db2.gz JMHVACQSORKCQO-MAUKXSAKSA-N 1 0 335.448 2.911 20 5 EFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)c(OC)c1 ZINC000090539199 472632158 /nfs/dbraw/zinc/63/21/58/472632158.db2.gz RWERDVRESIZFJS-AWEZNQCLSA-N 1 0 334.376 2.549 20 5 EFBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCOCC1 ZINC000155893505 472634820 /nfs/dbraw/zinc/63/48/20/472634820.db2.gz XYOWFHCMGWFUTO-UHFFFAOYSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000060063730 472635066 /nfs/dbraw/zinc/63/50/66/472635066.db2.gz RATAAUJDTAXKBD-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000130888113 472635237 /nfs/dbraw/zinc/63/52/37/472635237.db2.gz VQOQISSJBQUNKW-LJQANCHMSA-N 1 0 342.395 2.955 20 5 EFBDRO CC1(c2ccccc2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090589248 472639512 /nfs/dbraw/zinc/63/95/12/472639512.db2.gz XFSHSVLLMGKZJM-UHFFFAOYSA-N 1 0 341.411 2.810 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000072274236 472643912 /nfs/dbraw/zinc/64/39/12/472643912.db2.gz GKGNYMLIFJLCDY-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000104097167 472657034 /nfs/dbraw/zinc/65/70/34/472657034.db2.gz BAQKLAQCEYVPNS-ZBTGYSDGSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000047146269 472660659 /nfs/dbraw/zinc/66/06/59/472660659.db2.gz BUSUYDYDOMBXOE-ZDUSSCGKSA-N 1 0 337.445 2.535 20 5 EFBDRO COc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047188294 472665412 /nfs/dbraw/zinc/66/54/12/472665412.db2.gz RVGDWDKAIADSPY-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104412405 472671166 /nfs/dbraw/zinc/67/11/66/472671166.db2.gz FYYNABXVMLNBOF-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000078262514 472682927 /nfs/dbraw/zinc/68/29/27/472682927.db2.gz BJELMTFSEANFOJ-LLVKDONJSA-N 1 0 329.347 2.974 20 5 EFBDRO O=C(CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000061048151 472689471 /nfs/dbraw/zinc/68/94/71/472689471.db2.gz BQKZEIXTDFDJQJ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120448082 472691189 /nfs/dbraw/zinc/69/11/89/472691189.db2.gz GFOGVLWLDPOBCH-OLZOCXBDSA-N 1 0 347.415 2.683 20 5 EFBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000047331118 472691895 /nfs/dbraw/zinc/69/18/95/472691895.db2.gz YUTSZRZBNRHDDK-UHFFFAOYSA-N 1 0 329.404 2.845 20 5 EFBDRO Cc1nn(C)c(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000047370110 472698731 /nfs/dbraw/zinc/69/87/31/472698731.db2.gz PXPGOADFWZWNGC-UHFFFAOYSA-N 1 0 329.404 2.713 20 5 EFBDRO CCC(CC)(CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120491291 472698806 /nfs/dbraw/zinc/69/88/06/472698806.db2.gz BTIAPTPDTXIRBT-UHFFFAOYSA-N 1 0 346.431 2.884 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072693823 472700641 /nfs/dbraw/zinc/70/06/41/472700641.db2.gz HJPZSACFCPDPCY-BBRMVZONSA-N 1 0 329.400 2.748 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000120517482 472702805 /nfs/dbraw/zinc/70/28/05/472702805.db2.gz TUWVYDRLGKFGAL-XJKCOSOUSA-N 1 0 340.445 2.783 20 5 EFBDRO O=C(NC1CC1)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000078361024 472703431 /nfs/dbraw/zinc/70/34/31/472703431.db2.gz ZBRYCKAIRQCZGE-UHFFFAOYSA-N 1 0 346.431 2.775 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091098707 472705666 /nfs/dbraw/zinc/70/56/66/472705666.db2.gz CNEGUGQGBUMJHG-ZDUSSCGKSA-N 1 0 337.445 2.557 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072731481 472710401 /nfs/dbraw/zinc/71/04/01/472710401.db2.gz GEXSBPMFWYNCNU-CQSZACIVSA-N 1 0 332.404 2.790 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CCOCC1 ZINC000120651736 472725329 /nfs/dbraw/zinc/72/53/29/472725329.db2.gz MOEAKQSHBHYMIV-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000072840896 472725545 /nfs/dbraw/zinc/72/55/45/472725545.db2.gz AIJSXJPWGAKVAM-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078543515 472731830 /nfs/dbraw/zinc/73/18/30/472731830.db2.gz FPLBCEVZJHGPNG-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132508807 472737918 /nfs/dbraw/zinc/73/79/18/472737918.db2.gz WVLOCDGZLWJTGP-LBPRGKRZSA-N 1 0 325.384 2.974 20 5 EFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897781 472737997 /nfs/dbraw/zinc/73/79/97/472737997.db2.gz DSIIUQMKZAENFD-YJBOKZPZSA-N 1 0 349.431 2.693 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000120737794 472738295 /nfs/dbraw/zinc/73/82/95/472738295.db2.gz IXJKTMOPRSSYDT-CQSZACIVSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000156690359 472741381 /nfs/dbraw/zinc/74/13/81/472741381.db2.gz VWOOTVQVONAQJM-HNNXBMFYSA-N 1 0 349.431 2.682 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000105493153 472753514 /nfs/dbraw/zinc/75/35/14/472753514.db2.gz LZQNCOXDCAGBDW-KRWDZBQOSA-N 1 0 330.384 2.687 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000120885591 472763326 /nfs/dbraw/zinc/76/33/26/472763326.db2.gz NUQJJRVSENFZDI-FZMZJTMJSA-N 1 0 337.445 2.729 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000091457314 472768077 /nfs/dbraw/zinc/76/80/77/472768077.db2.gz CEIHZXGRCVPWGS-AWEZNQCLSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000120925198 472770281 /nfs/dbraw/zinc/77/02/81/472770281.db2.gz QHSAYQKWIHJYNJ-NHYWBVRUSA-N 1 0 339.823 2.589 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000091476431 472770597 /nfs/dbraw/zinc/77/05/97/472770597.db2.gz WDXXBEYRZLFIAQ-OAHLLOKOSA-N 1 0 349.479 2.839 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C[C@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000063503546 472784766 /nfs/dbraw/zinc/78/47/66/472784766.db2.gz YIBNJKRZONPZHN-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105873922 472793653 /nfs/dbraw/zinc/79/36/53/472793653.db2.gz ZNHHKZHYCJUJMW-GXTWGEPZSA-N 1 0 329.404 2.975 20 5 EFBDRO O=c1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c2c(ccc3ccccc32)o1 ZINC000105870828 472794662 /nfs/dbraw/zinc/79/46/62/472794662.db2.gz WSCXGKWYKBQZBV-OAHLLOKOSA-N 1 0 346.390 2.642 20 5 EFBDRO CCc1nn(C)c(NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000091733175 472799364 /nfs/dbraw/zinc/79/93/64/472799364.db2.gz ZPAKTBDYYPVHTQ-UHFFFAOYSA-N 1 0 335.383 2.574 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091739531 472800363 /nfs/dbraw/zinc/80/03/63/472800363.db2.gz BDDLKVLPXRTQRG-DZGCQCFKSA-N 1 0 343.431 2.966 20 5 EFBDRO CCc1nn(C)c(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091739534 472800978 /nfs/dbraw/zinc/80/09/78/472800978.db2.gz BDDLKVLPXRTQRG-ZFWWWQNUSA-N 1 0 343.431 2.966 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000063726410 472806295 /nfs/dbraw/zinc/80/62/95/472806295.db2.gz AGIXCXDFZJXGBE-CMDGGOBGSA-N 1 0 331.416 2.941 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063726706 472807792 /nfs/dbraw/zinc/80/77/92/472807792.db2.gz OHSIRDQJVMXNSY-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1 ZINC000063770975 472812469 /nfs/dbraw/zinc/81/24/69/472812469.db2.gz NCKVQNMYVQZHSY-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)COc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000063802802 472814689 /nfs/dbraw/zinc/81/46/89/472814689.db2.gz BIGXBRZBMPWGMM-KSSFIOAISA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC000091862199 472818831 /nfs/dbraw/zinc/81/88/31/472818831.db2.gz VUFVQSZXHLBJKQ-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092010881 472841783 /nfs/dbraw/zinc/84/17/83/472841783.db2.gz UDKHMVNVCSDSTM-RDJZCZTQSA-N 1 0 344.415 2.582 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCCCC1 ZINC000064301251 472841944 /nfs/dbraw/zinc/84/19/44/472841944.db2.gz DIYOUPUTHMWDND-ZDUSSCGKSA-N 1 0 344.415 2.928 20 5 EFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000121361629 472842071 /nfs/dbraw/zinc/84/20/71/472842071.db2.gz IOCTUOHFJLQCRC-GFCCVEGCSA-N 1 0 329.194 2.872 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079294649 472844082 /nfs/dbraw/zinc/84/40/82/472844082.db2.gz PQZZRCPDTKRXJT-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043329 472846987 /nfs/dbraw/zinc/84/69/87/472846987.db2.gz AZKLAYRJMSGDKB-ZFWWWQNUSA-N 1 0 349.431 2.528 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079337968 472850104 /nfs/dbraw/zinc/85/01/04/472850104.db2.gz XURAJPRPFQPIRT-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572562 472873726 /nfs/dbraw/zinc/87/37/26/472873726.db2.gz GNRIRQNRPPFFPV-JKSUJKDBSA-N 1 0 348.424 2.981 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000064739289 472874028 /nfs/dbraw/zinc/87/40/28/472874028.db2.gz QRZCCCPWSGJAFT-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000064806163 472878020 /nfs/dbraw/zinc/87/80/20/472878020.db2.gz XQRNOKSUJFIFIB-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CCc1cc(N2CCC[N@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904551 472885074 /nfs/dbraw/zinc/88/50/74/472885074.db2.gz IVIHJWVONRYJCU-UHFFFAOYSA-N 1 0 341.415 2.756 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073827663 472885584 /nfs/dbraw/zinc/88/55/84/472885584.db2.gz MFWIZNCMWDLYBK-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000079553983 472886325 /nfs/dbraw/zinc/88/63/25/472886325.db2.gz WVHFTCFDAAJSHB-UKRRQHHQSA-N 1 0 342.399 2.706 20 5 EFBDRO CC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000048552700 472887939 /nfs/dbraw/zinc/88/79/39/472887939.db2.gz DEXQAOXNOFXYQO-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000121672192 472889332 /nfs/dbraw/zinc/88/93/32/472889332.db2.gz DTERJOACXUKGQF-CYBMUJFWSA-N 1 0 346.431 2.752 20 5 EFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134468757 472912685 /nfs/dbraw/zinc/91/26/85/472912685.db2.gz TUDVKNIVCZJBFS-UHFFFAOYSA-N 1 0 335.379 2.871 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[NH2+][C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000092457035 472916022 /nfs/dbraw/zinc/91/60/22/472916022.db2.gz OSAYWMQJEUGZQW-GFCCVEGCSA-N 1 0 331.372 2.657 20 5 EFBDRO O=C(C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000121805838 472918324 /nfs/dbraw/zinc/91/83/24/472918324.db2.gz GUFQONNSZGCCNN-GFCCVEGCSA-N 1 0 334.401 2.590 20 5 EFBDRO CS[C@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000134585486 472932968 /nfs/dbraw/zinc/93/29/68/472932968.db2.gz VCPBXUAXBOOGDZ-HOCLYGCPSA-N 1 0 340.445 2.552 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000121876628 472935489 /nfs/dbraw/zinc/93/54/89/472935489.db2.gz OFZCIXHGWNVFOR-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000065421061 472938831 /nfs/dbraw/zinc/93/88/31/472938831.db2.gz OTNOATWTWOLHAQ-CQSZACIVSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092642474 472948818 /nfs/dbraw/zinc/94/88/18/472948818.db2.gz FPAXKCXOIDXNKG-GJZGRUSLSA-N 1 0 348.447 2.624 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092642472 472949767 /nfs/dbraw/zinc/94/97/67/472949767.db2.gz FPAXKCXOIDXNKG-GASCZTMLSA-N 1 0 348.447 2.624 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000080079140 472972620 /nfs/dbraw/zinc/97/26/20/472972620.db2.gz NXGGDAHARJAMLL-CYBMUJFWSA-N 1 0 346.431 2.613 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287075 472978800 /nfs/dbraw/zinc/97/88/00/472978800.db2.gz YPOQNBQKULTRMQ-HUUCEWRRSA-N 1 0 346.387 2.770 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000122140839 472980330 /nfs/dbraw/zinc/98/03/30/472980330.db2.gz JGYJHRGJRLUMNV-CRAIPNDOSA-N 1 0 335.448 2.992 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074298564 472982207 /nfs/dbraw/zinc/98/22/07/472982207.db2.gz HQURRHLHNIAQAN-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000080146210 472983408 /nfs/dbraw/zinc/98/34/08/472983408.db2.gz YLXZCGSTHQKMLV-HNNXBMFYSA-N 1 0 346.431 2.613 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080159607 472986163 /nfs/dbraw/zinc/98/61/63/472986163.db2.gz TXWUZHHLCAEWNF-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000074317556 472986765 /nfs/dbraw/zinc/98/67/65/472986765.db2.gz KCTWZMATPAIHOV-NADMHLTPSA-N 1 0 343.427 2.798 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000065605704 472987607 /nfs/dbraw/zinc/98/76/07/472987607.db2.gz CKAREWONHFXWHC-INIZCTEOSA-N 1 0 341.367 2.736 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050551722 472998167 /nfs/dbraw/zinc/99/81/67/472998167.db2.gz ISUQVSWNQPBUGT-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122346277 473004561 /nfs/dbraw/zinc/00/45/61/473004561.db2.gz PIHNYZNHTHJAGK-AWEZNQCLSA-N 1 0 348.424 2.589 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122409595 473011672 /nfs/dbraw/zinc/01/16/72/473011672.db2.gz GEGCXFVEIZNMRX-GOSISDBHSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000050954379 473015300 /nfs/dbraw/zinc/01/53/00/473015300.db2.gz ZFPZGZIYAQFCIB-UHFFFAOYSA-N 1 0 332.448 2.874 20 5 EFBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092974787 473015972 /nfs/dbraw/zinc/01/59/72/473015972.db2.gz OUMUJZVPSGDUDH-UHFFFAOYSA-N 1 0 345.399 2.619 20 5 EFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050993901 473018626 /nfs/dbraw/zinc/01/86/26/473018626.db2.gz YLLKFOBOGJVSEY-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000108371436 473018771 /nfs/dbraw/zinc/01/87/71/473018771.db2.gz XVIBPQGTIQEYML-CQSZACIVSA-N 1 0 348.447 2.693 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000065939887 473030071 /nfs/dbraw/zinc/03/00/71/473030071.db2.gz PYTVOWWSXFBGPG-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051342256 473042897 /nfs/dbraw/zinc/04/28/97/473042897.db2.gz VHQOOXXXJJEHCL-UHFFFAOYSA-N 1 0 348.428 2.790 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000159622144 473045125 /nfs/dbraw/zinc/04/51/25/473045125.db2.gz DRBUGVUTRDJPCH-AAEUAGOBSA-N 1 0 347.371 2.527 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000051505620 473053269 /nfs/dbraw/zinc/05/32/69/473053269.db2.gz KVSOQHPNCHFYTC-INIZCTEOSA-N 1 0 328.368 2.909 20 5 EFBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122794392 473057418 /nfs/dbraw/zinc/05/74/18/473057418.db2.gz MJGYTNIBBPLZFY-ZDUSSCGKSA-N 1 0 334.397 2.547 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764463 473058337 /nfs/dbraw/zinc/05/83/37/473058337.db2.gz AQWKADVLIUQXSY-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135450266 473074002 /nfs/dbraw/zinc/07/40/02/473074002.db2.gz REHRISSLDBJLLS-CYBMUJFWSA-N 1 0 334.401 2.972 20 5 EFBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093320299 473084078 /nfs/dbraw/zinc/08/40/78/473084078.db2.gz AURIAJWPFGUYEZ-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000066377613 473085764 /nfs/dbraw/zinc/08/57/64/473085764.db2.gz WHQCLXPZWFAFCB-MDZRGWNJSA-N 1 0 347.459 2.711 20 5 EFBDRO CCc1cc(NCC[N@@H+](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109259518 473091237 /nfs/dbraw/zinc/09/12/37/473091237.db2.gz REMXOSSBIPSBMC-UHFFFAOYSA-N 1 0 329.404 2.978 20 5 EFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093360819 473095025 /nfs/dbraw/zinc/09/50/25/473095025.db2.gz PQOWVCCCIQPCRH-ZDUSSCGKSA-N 1 0 343.383 2.813 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000052396296 473103292 /nfs/dbraw/zinc/10/32/92/473103292.db2.gz KWUKZZZHFSSJMF-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052397274 473103616 /nfs/dbraw/zinc/10/36/16/473103616.db2.gz PCPWHRUPISKINA-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000066534796 473110566 /nfs/dbraw/zinc/11/05/66/473110566.db2.gz ZBOZBIXQMBRIFP-QGZVFWFLSA-N 1 0 333.432 2.924 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000052556250 473124336 /nfs/dbraw/zinc/12/43/36/473124336.db2.gz CVUFTLZFWXWWNT-KBXCAEBGSA-N 1 0 348.447 2.905 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000081019240 473131512 /nfs/dbraw/zinc/13/15/12/473131512.db2.gz QULYSLILPUDQPR-UHFFFAOYSA-N 1 0 341.411 2.661 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000052641297 473136104 /nfs/dbraw/zinc/13/61/04/473136104.db2.gz GXQWYJTVVVLVHV-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093808797 473146402 /nfs/dbraw/zinc/14/64/02/473146402.db2.gz CXAWNTBJGXVICN-ZDUSSCGKSA-N 1 0 343.383 2.942 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000052863000 473156372 /nfs/dbraw/zinc/15/63/72/473156372.db2.gz MJCHQDOFGJYTFL-ZDUSSCGKSA-N 1 0 332.360 2.674 20 5 EFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccsc2[N+](=O)[O-])c1 ZINC000066816412 473157667 /nfs/dbraw/zinc/15/76/67/473157667.db2.gz ADIJOQDSGPQFFR-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO Cc1c(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000123589476 473161244 /nfs/dbraw/zinc/16/12/44/473161244.db2.gz XKBXPVAZRRSTRI-MRXNPFEDSA-N 1 0 335.448 2.928 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1[N+](=O)[O-] ZINC000136695197 473172572 /nfs/dbraw/zinc/17/25/72/473172572.db2.gz XVEHHUZDROZQDU-UHFFFAOYSA-N 1 0 330.388 2.771 20 5 EFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136914379 473184942 /nfs/dbraw/zinc/18/49/42/473184942.db2.gz ZPZRIJVNXPCZCW-XIKOKIGWSA-N 1 0 343.383 2.937 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000110995802 473189313 /nfs/dbraw/zinc/18/93/13/473189313.db2.gz KLDSFJOUPOMZEN-KRWDZBQOSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075469732 473189353 /nfs/dbraw/zinc/18/93/53/473189353.db2.gz GERAJZQXODLASW-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CC(C)N(CCS(C)(=O)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000137143619 473195840 /nfs/dbraw/zinc/19/58/40/473195840.db2.gz ASGQMMVUIHGANC-UHFFFAOYSA-N 1 0 334.825 2.503 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000171480470 473397256 /nfs/dbraw/zinc/39/72/56/473397256.db2.gz ZRKSPTHZHPGXJQ-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO COc1cc(C[N@@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190843918 473408641 /nfs/dbraw/zinc/40/86/41/473408641.db2.gz DGMZXRUHONHRJL-NSHDSACASA-N 1 0 326.418 2.797 20 5 EFBDRO COc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185414648 473419598 /nfs/dbraw/zinc/41/95/98/473419598.db2.gz IIAYRSWYZHIVRN-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171618396 473421895 /nfs/dbraw/zinc/42/18/95/473421895.db2.gz NXNUBJQIDIZXDC-LBPRGKRZSA-N 1 0 345.378 2.651 20 5 EFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000163240586 473425023 /nfs/dbraw/zinc/42/50/23/473425023.db2.gz QOSOFXLDQFSLDP-NEPJUHHUSA-N 1 0 349.387 2.820 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000113937417 473425966 /nfs/dbraw/zinc/42/59/66/473425966.db2.gz YUPHJUWIIOOMRM-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171649854 473429432 /nfs/dbraw/zinc/42/94/32/473429432.db2.gz GQEORSBJEWHUPA-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO COC(=O)[C@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114063575 473437310 /nfs/dbraw/zinc/43/73/10/473437310.db2.gz XQGKZSWDKPNCLM-GFCCVEGCSA-N 1 0 347.371 2.533 20 5 EFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177916933 473451261 /nfs/dbraw/zinc/45/12/61/473451261.db2.gz PCJDDBZRQYZSNM-YQVWRLOYSA-N 1 0 329.444 2.944 20 5 EFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000163575697 473455873 /nfs/dbraw/zinc/45/58/73/473455873.db2.gz PWDBETYBLVUUAA-CXAGYDPISA-N 1 0 327.384 2.590 20 5 EFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000163575483 473456337 /nfs/dbraw/zinc/45/63/37/473456337.db2.gz PWDBETYBLVUUAA-DYVFJYSZSA-N 1 0 327.384 2.590 20 5 EFBDRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191046070 473465079 /nfs/dbraw/zinc/46/50/79/473465079.db2.gz ZSEOAOKYTZZXOY-CYBMUJFWSA-N 1 0 328.434 2.850 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000171829631 473466491 /nfs/dbraw/zinc/46/64/91/473466491.db2.gz HADULCDXWILTHA-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000114467043 473469815 /nfs/dbraw/zinc/46/98/15/473469815.db2.gz KGSMXBLTEPQKBI-IBGZPJMESA-N 1 0 342.395 2.955 20 5 EFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114508291 473477401 /nfs/dbraw/zinc/47/74/01/473477401.db2.gz LRGWVZDFRYGPHW-GOSISDBHSA-N 1 0 346.383 2.609 20 5 EFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000191134863 473488096 /nfs/dbraw/zinc/48/80/96/473488096.db2.gz AHTWARBMAHNLEY-CYBMUJFWSA-N 1 0 349.431 2.906 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000114678530 473491794 /nfs/dbraw/zinc/49/17/94/473491794.db2.gz IEEFJCPLEBSTRO-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO NC(=O)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151824972 473497115 /nfs/dbraw/zinc/49/71/15/473497115.db2.gz IEJDJXMWQZIDSQ-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000178399372 473504969 /nfs/dbraw/zinc/50/49/69/473504969.db2.gz QOLRONOAECDKAU-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000126372447 473511515 /nfs/dbraw/zinc/51/15/15/473511515.db2.gz YUYDAUWNXVCJMJ-SCYVGKGRSA-N 1 0 340.383 2.914 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172071698 473514660 /nfs/dbraw/zinc/51/46/60/473514660.db2.gz NQLSLCXDELCWEH-QGZVFWFLSA-N 1 0 334.372 2.732 20 5 EFBDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152001315 473515028 /nfs/dbraw/zinc/51/50/28/473515028.db2.gz RQRJLDMYBVORDB-UHFFFAOYSA-N 1 0 335.404 2.941 20 5 EFBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000165733087 473515923 /nfs/dbraw/zinc/51/59/23/473515923.db2.gz CBCVBJNWYXEINF-UHFFFAOYSA-N 1 0 343.225 2.957 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000191302044 473525327 /nfs/dbraw/zinc/52/53/27/473525327.db2.gz VSQTYDSSCZTLHI-UHFFFAOYSA-N 1 0 349.431 2.908 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1 ZINC000166438703 473527384 /nfs/dbraw/zinc/52/73/84/473527384.db2.gz PWQUISYLNNXRAS-UHFFFAOYSA-N 1 0 329.356 2.582 20 5 EFBDRO Cc1c(CC(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000185867304 473533958 /nfs/dbraw/zinc/53/39/58/473533958.db2.gz WTNDCUPBAFFTHF-UHFFFAOYSA-N 1 0 333.432 2.684 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152207704 473536410 /nfs/dbraw/zinc/53/64/10/473536410.db2.gz LPIHCFVMVUTYDQ-AWEZNQCLSA-N 1 0 327.388 2.970 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172154168 473537012 /nfs/dbraw/zinc/53/70/12/473537012.db2.gz AZHVYHBSNQZJCK-OAHLLOKOSA-N 1 0 334.420 2.659 20 5 EFBDRO CN(C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000168264990 473541240 /nfs/dbraw/zinc/54/12/40/473541240.db2.gz UUTUJHQXWQAVDI-QGZVFWFLSA-N 1 0 347.459 2.616 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000172172845 473541649 /nfs/dbraw/zinc/54/16/49/473541649.db2.gz OBSVYEPPNXSEJE-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650699 473541660 /nfs/dbraw/zinc/54/16/60/473541660.db2.gz SLZSIZHXDGTGNY-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000172178073 473542722 /nfs/dbraw/zinc/54/27/22/473542722.db2.gz MXOCLLUSBVQNBT-NSHDSACASA-N 1 0 326.780 2.833 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657735 473543299 /nfs/dbraw/zinc/54/32/99/473543299.db2.gz WHDAQTCNXVHCDS-ZDUSSCGKSA-N 1 0 331.372 2.967 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000172208984 473548858 /nfs/dbraw/zinc/54/88/58/473548858.db2.gz MCBGCNHWWYBQHJ-NSHDSACASA-N 1 0 333.413 2.833 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000178773245 473559130 /nfs/dbraw/zinc/55/91/30/473559130.db2.gz NCNXPAPPMBERPY-QWRGUYRKSA-N 1 0 341.795 2.544 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000152433884 473562951 /nfs/dbraw/zinc/56/29/51/473562951.db2.gz MNBKQSMTSAMQOJ-BBRMVZONSA-N 1 0 332.404 2.851 20 5 EFBDRO COc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191675734 473567493 /nfs/dbraw/zinc/56/74/93/473567493.db2.gz WNWUJJBHOXCOBU-AWEZNQCLSA-N 1 0 337.420 2.618 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115442506 473570561 /nfs/dbraw/zinc/57/05/61/473570561.db2.gz BWBPWCYUUJRVFM-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000152969514 473602830 /nfs/dbraw/zinc/60/28/30/473602830.db2.gz ABGDJWFOBSBFOY-MRXNPFEDSA-N 1 0 347.415 2.736 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417373 473604937 /nfs/dbraw/zinc/60/49/37/473604937.db2.gz NDLWHWMULWFRGF-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172422545 473606269 /nfs/dbraw/zinc/60/62/69/473606269.db2.gz DUJKXBZRWGBSQM-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170842 473611857 /nfs/dbraw/zinc/61/18/57/473611857.db2.gz VTMOUJQOCLXOLX-UPJWGTAASA-N 1 0 333.388 2.662 20 5 EFBDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000127433323 473612906 /nfs/dbraw/zinc/61/29/06/473612906.db2.gz SKSSWNMAYMLQQV-HNNXBMFYSA-N 1 0 329.404 2.522 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192043594 473614038 /nfs/dbraw/zinc/61/40/38/473614038.db2.gz OXNJEBQKGQDMGL-GJZGRUSLSA-N 1 0 336.779 2.565 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000153572831 473630444 /nfs/dbraw/zinc/63/04/44/473630444.db2.gz SARGDYIAWJGPOR-KBXCAEBGSA-N 1 0 343.427 2.992 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000153637656 473633228 /nfs/dbraw/zinc/63/32/28/473633228.db2.gz RUIAJAXCZGDUII-ZDUSSCGKSA-N 1 0 349.431 2.903 20 5 EFBDRO Cc1cc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000153623970 473634048 /nfs/dbraw/zinc/63/40/48/473634048.db2.gz YAFGSHBGTGYCCZ-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153647948 473635036 /nfs/dbraw/zinc/63/50/36/473635036.db2.gz JQFIRCNUGPTDBS-CRAIPNDOSA-N 1 0 343.427 2.613 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153648136 473635565 /nfs/dbraw/zinc/63/55/65/473635565.db2.gz JQFIRCNUGPTDBS-MAUKXSAKSA-N 1 0 343.427 2.613 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153802121 473643088 /nfs/dbraw/zinc/64/30/88/473643088.db2.gz LCSOMXJHRQKXNL-NSHDSACASA-N 1 0 340.811 2.556 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000154064622 473664944 /nfs/dbraw/zinc/66/49/44/473664944.db2.gz UBZFGBADGHHDNI-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000127937902 473665600 /nfs/dbraw/zinc/66/56/00/473665600.db2.gz FRSUGOXKEKFRTG-UHFFFAOYSA-N 1 0 345.403 2.731 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)s1 ZINC000172716309 473675270 /nfs/dbraw/zinc/67/52/70/473675270.db2.gz XVCGVVIPBQZNRB-UHFFFAOYSA-N 1 0 345.222 2.747 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC2CCCCC2)CC1 ZINC000192540483 473690588 /nfs/dbraw/zinc/69/05/88/473690588.db2.gz AEGDXFIYEMKKHC-UHFFFAOYSA-N 1 0 335.452 2.822 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192551869 473691316 /nfs/dbraw/zinc/69/13/16/473691316.db2.gz FGDXCGNVQNPNNQ-CQSZACIVSA-N 1 0 348.428 2.754 20 5 EFBDRO NC(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179580065 473696505 /nfs/dbraw/zinc/69/65/05/473696505.db2.gz XYPQBLUZSPZSMW-CQSZACIVSA-N 1 0 331.397 2.773 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OC(F)F)c1 ZINC000179574450 473696590 /nfs/dbraw/zinc/69/65/90/473696590.db2.gz HWSMLMSACVCTJU-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO O=C(NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192629244 473697881 /nfs/dbraw/zinc/69/78/81/473697881.db2.gz GLDUPYUSJGDHQO-OAHLLOKOSA-N 1 0 329.356 2.585 20 5 EFBDRO CC1(C)CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186607549 473698542 /nfs/dbraw/zinc/69/85/42/473698542.db2.gz ORJKSXWRRIWJNJ-CQSZACIVSA-N 1 0 326.418 2.537 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000281384360 473700376 /nfs/dbraw/zinc/70/03/76/473700376.db2.gz XKSPKSKFJVFXTA-HNNXBMFYSA-N 1 0 349.431 2.520 20 5 EFBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172908506 473701761 /nfs/dbraw/zinc/70/17/61/473701761.db2.gz MNWLVIFHRQXYIN-KSSFIOAISA-N 1 0 342.395 2.781 20 5 EFBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000179644555 473701798 /nfs/dbraw/zinc/70/17/98/473701798.db2.gz NQQGHFWSHCFTAU-OAHLLOKOSA-N 1 0 349.431 2.672 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179638975 473703079 /nfs/dbraw/zinc/70/30/79/473703079.db2.gz CZSSOJFHESGFAB-NSHDSACASA-N 1 0 329.347 2.580 20 5 EFBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000179664582 473706107 /nfs/dbraw/zinc/70/61/07/473706107.db2.gz CKUZECZAVCFBSF-CQSZACIVSA-N 1 0 345.399 2.895 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000269140116 473707299 /nfs/dbraw/zinc/70/72/99/473707299.db2.gz YLOBSXFCWFEUEL-ONERCXAPSA-N 1 0 337.807 2.785 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172961698 473713812 /nfs/dbraw/zinc/71/38/12/473713812.db2.gz VKEBXJLJVDUJPV-BETUJISGSA-N 1 0 333.388 2.520 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179743033 473716970 /nfs/dbraw/zinc/71/69/70/473716970.db2.gz YRGIIGBAKRKLAM-MSOLQXFVSA-N 1 0 330.384 2.732 20 5 EFBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000281429111 473718390 /nfs/dbraw/zinc/71/83/90/473718390.db2.gz PDXVKLNCICMAOZ-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO Cc1nn(C)c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274060803 473721341 /nfs/dbraw/zinc/72/13/41/473721341.db2.gz AHOHGDKISVCTMP-DOMZBBRYSA-N 1 0 329.404 2.569 20 5 EFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)ccc1F ZINC000179773981 473723260 /nfs/dbraw/zinc/72/32/60/473723260.db2.gz LPBJCDMNLOPWMD-OAHLLOKOSA-N 1 0 337.326 2.776 20 5 EFBDRO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281443142 473723520 /nfs/dbraw/zinc/72/35/20/473723520.db2.gz QCQICJPUUCDJSF-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269188738 473725000 /nfs/dbraw/zinc/72/50/00/473725000.db2.gz GRGNQLFDEHQCRD-UHFFFAOYSA-N 1 0 340.383 2.559 20 5 EFBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173012975 473725409 /nfs/dbraw/zinc/72/54/09/473725409.db2.gz VJZWJEOFWZDRAB-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287671272 473729934 /nfs/dbraw/zinc/72/99/34/473729934.db2.gz IXKJSBMMDMLUBH-UHFFFAOYSA-N 1 0 335.433 2.912 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269205948 473731654 /nfs/dbraw/zinc/73/16/54/473731654.db2.gz LWUIXZOIQKNQLE-UHFFFAOYSA-N 1 0 325.368 2.812 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000269225359 473738793 /nfs/dbraw/zinc/73/87/93/473738793.db2.gz UIUHWMMAJLDSQU-AVGNSLFASA-N 1 0 337.445 2.580 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000173091002 473742410 /nfs/dbraw/zinc/74/24/10/473742410.db2.gz BHLXGRZZHVBFSF-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000179869716 473744838 /nfs/dbraw/zinc/74/48/38/473744838.db2.gz ZGJGNZDPKKRBIG-CYBMUJFWSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173105301 473746136 /nfs/dbraw/zinc/74/61/36/473746136.db2.gz WTTZAOIMEQTBAK-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905978 473746301 /nfs/dbraw/zinc/74/63/01/473746301.db2.gz UOLHKAUPYPMGJI-AWEZNQCLSA-N 1 0 346.387 2.722 20 5 EFBDRO COc1ccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000269259279 473752564 /nfs/dbraw/zinc/75/25/64/473752564.db2.gz QEEPLGPYINFIJE-PXAZEXFGSA-N 1 0 343.383 2.556 20 5 EFBDRO Nc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000287784668 473760008 /nfs/dbraw/zinc/76/00/08/473760008.db2.gz OLKIOCNHGAVWJW-IYBDPMFKSA-N 1 0 338.411 2.745 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269294528 473764927 /nfs/dbraw/zinc/76/49/27/473764927.db2.gz VTZOIHMWBCPUOU-ZDUSSCGKSA-N 1 0 334.420 2.609 20 5 EFBDRO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269299369 473766649 /nfs/dbraw/zinc/76/66/49/473766649.db2.gz BLEJIWDIHQAUGJ-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179998466 473773778 /nfs/dbraw/zinc/77/37/78/473773778.db2.gz HLCZKWNSORJGJI-HZPDHXFCSA-N 1 0 336.388 2.558 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1F ZINC000274296928 473775772 /nfs/dbraw/zinc/77/57/72/473775772.db2.gz IOGLSOFGTFDVCS-INIZCTEOSA-N 1 0 326.368 2.870 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173258525 473783693 /nfs/dbraw/zinc/78/36/93/473783693.db2.gz RWFVAIRJYLEOAY-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000281664240 473799009 /nfs/dbraw/zinc/79/90/09/473799009.db2.gz STEMOESSGCCHDK-OAHLLOKOSA-N 1 0 349.431 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2nonc21 ZINC000269417023 473805702 /nfs/dbraw/zinc/80/57/02/473805702.db2.gz KTQFOBHTBHWQTJ-AAEUAGOBSA-N 1 0 343.387 2.584 20 5 EFBDRO CC(C)C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000193767338 473806297 /nfs/dbraw/zinc/80/62/97/473806297.db2.gz VZRNQXLFEAZKJU-ZDUSSCGKSA-N 1 0 334.420 2.868 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000246257258 473807609 /nfs/dbraw/zinc/80/76/09/473807609.db2.gz KNUZYVPYNTZQRQ-WFASDCNBSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269445617 473813093 /nfs/dbraw/zinc/81/30/93/473813093.db2.gz BIKCUNMJCBFKHU-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246282912 473816463 /nfs/dbraw/zinc/81/64/63/473816463.db2.gz NVFFJICULGKUOK-MAUKXSAKSA-N 1 0 343.427 2.879 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281719822 473818206 /nfs/dbraw/zinc/81/82/06/473818206.db2.gz VFGFGYROHPVGPI-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246287713 473818571 /nfs/dbraw/zinc/81/85/71/473818571.db2.gz BLEWYGBFFYMVTR-RHSMWYFYSA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173382997 473821396 /nfs/dbraw/zinc/82/13/96/473821396.db2.gz XNEIQMOCCVGWML-KBXCAEBGSA-N 1 0 330.384 2.823 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308208 473823765 /nfs/dbraw/zinc/82/37/65/473823765.db2.gz DOKXDFLCLHNTBS-DOTOQJQBSA-N 1 0 335.448 2.821 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246325887 473829607 /nfs/dbraw/zinc/82/96/07/473829607.db2.gz AYDQUSJYGMCEBB-ZIAGYGMSSA-N 1 0 334.420 2.639 20 5 EFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180223666 473831139 /nfs/dbraw/zinc/83/11/39/473831139.db2.gz SBZNVEWOMGMEPD-GOSISDBHSA-N 1 0 344.411 2.901 20 5 EFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173426406 473835158 /nfs/dbraw/zinc/83/51/58/473835158.db2.gz UKYMBBWIBAZPFL-SGTLLEGYSA-N 1 0 346.383 2.996 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000288095422 473847164 /nfs/dbraw/zinc/84/71/64/473847164.db2.gz JGRMILRVRMJZFH-UHFFFAOYSA-N 1 0 329.404 2.590 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000173476477 473848457 /nfs/dbraw/zinc/84/84/57/473848457.db2.gz CMFMJFWUQBTPQS-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000288108732 473849658 /nfs/dbraw/zinc/84/96/58/473849658.db2.gz IOZMGSHBKZIRHR-NHYWBVRUSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1cnc(NCc2ccncc2OCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000288122773 473853068 /nfs/dbraw/zinc/85/30/68/473853068.db2.gz DAMKAUBWAUHNJD-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000173528104 473866902 /nfs/dbraw/zinc/86/69/02/473866902.db2.gz DEUJGDFKLZXELR-IUODEOHRSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180415621 473872943 /nfs/dbraw/zinc/87/29/43/473872943.db2.gz HYFCWBIRPGNJTE-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437959 473878487 /nfs/dbraw/zinc/87/84/87/473878487.db2.gz VGIKSHXSMYAQMD-NSHDSACASA-N 1 0 349.337 2.840 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000263861353 473880949 /nfs/dbraw/zinc/88/09/49/473880949.db2.gz VXKYZLZKGQWMCS-GFCCVEGCSA-N 1 0 349.412 2.817 20 5 EFBDRO COCCn1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000281928874 473887513 /nfs/dbraw/zinc/88/75/13/473887513.db2.gz OQBZSXFQTJZCOM-UHFFFAOYSA-N 1 0 341.371 2.906 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000173619508 473893375 /nfs/dbraw/zinc/89/33/75/473893375.db2.gz KWIOXJDVYVFYHJ-AWEZNQCLSA-N 1 0 348.447 2.693 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454692 473900187 /nfs/dbraw/zinc/90/01/87/473900187.db2.gz JDEPWZCIOUZRCK-CABCVRRESA-N 1 0 335.360 2.940 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454677 473900817 /nfs/dbraw/zinc/90/08/17/473900817.db2.gz JDEPWZCIOUZRCK-HUUCEWRRSA-N 1 0 335.360 2.940 20 5 EFBDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274656395 473911460 /nfs/dbraw/zinc/91/14/60/473911460.db2.gz MIGMMFRTUPCCEQ-OAHLLOKOSA-N 1 0 340.420 2.624 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000263948896 473914853 /nfs/dbraw/zinc/91/48/53/473914853.db2.gz WSPXBDQSSRXHEE-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246619143 473917383 /nfs/dbraw/zinc/91/73/83/473917383.db2.gz JWELHYPMEHZYOR-YOEHRIQHSA-N 1 0 347.415 2.733 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000246619683 473917636 /nfs/dbraw/zinc/91/76/36/473917636.db2.gz QLBWLWZICNVXRE-CZUORRHYSA-N 1 0 330.388 2.883 20 5 EFBDRO CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000288365375 473921522 /nfs/dbraw/zinc/92/15/22/473921522.db2.gz JNVZCRVPVKGFBE-GFCCVEGCSA-N 1 0 337.395 2.564 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c(c1)COCO2 ZINC000269936450 473925145 /nfs/dbraw/zinc/92/51/45/473925145.db2.gz OCVBHCRSKCOFDI-UAGQMJEPSA-N 1 0 346.383 2.509 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2c(c1)COCO2 ZINC000269936442 473925403 /nfs/dbraw/zinc/92/54/03/473925403.db2.gz OCVBHCRSKCOFDI-DJIMGWMZSA-N 1 0 346.383 2.509 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000288389057 473927547 /nfs/dbraw/zinc/92/75/47/473927547.db2.gz MDJVOWQJZOFACH-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288393291 473929234 /nfs/dbraw/zinc/92/92/34/473929234.db2.gz MMBAAWLXPYBMCU-GXTWGEPZSA-N 1 0 342.399 2.775 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)n2)c1 ZINC000246691298 473934913 /nfs/dbraw/zinc/93/49/13/473934913.db2.gz MWQAYZGNDYWNML-ZFWWWQNUSA-N 1 0 344.371 2.646 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)n2)c1 ZINC000246691283 473935248 /nfs/dbraw/zinc/93/52/48/473935248.db2.gz MWQAYZGNDYWNML-DZGCQCFKSA-N 1 0 344.371 2.646 20 5 EFBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000180668959 473936757 /nfs/dbraw/zinc/93/67/57/473936757.db2.gz QEDGNHQQUVLCAK-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000288462650 473949672 /nfs/dbraw/zinc/94/96/72/473949672.db2.gz QBLFDIUCUUYEIF-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)c([N+](=O)[O-])cc1OC ZINC000288479287 473955139 /nfs/dbraw/zinc/95/51/39/473955139.db2.gz PRZRACSGBCWLIN-LLVKDONJSA-N 1 0 326.418 2.845 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282146497 473959666 /nfs/dbraw/zinc/95/96/66/473959666.db2.gz SHIKMFFGTSXLSZ-CZUORRHYSA-N 1 0 347.415 2.861 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000188042230 473961969 /nfs/dbraw/zinc/96/19/69/473961969.db2.gz FOWDOAHNMDQADZ-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270040442 473964708 /nfs/dbraw/zinc/96/47/08/473964708.db2.gz AJUNXDNRRHTVJV-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000173960644 473965448 /nfs/dbraw/zinc/96/54/48/473965448.db2.gz QFMIJRHPTJQSGM-MRXNPFEDSA-N 1 0 349.431 2.768 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)CC ZINC000274815998 473971314 /nfs/dbraw/zinc/97/13/14/473971314.db2.gz WMSJPSIEEMMIIR-LBPRGKRZSA-N 1 0 325.434 2.533 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282178671 473972058 /nfs/dbraw/zinc/97/20/58/473972058.db2.gz FMBSBKFLVSLWTR-HMFCALDFSA-N 1 0 336.457 2.807 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000613662830 480073251 /nfs/dbraw/zinc/07/32/51/480073251.db2.gz IGFIZNXJUOYMLX-RTBURBONSA-N 1 0 349.434 2.894 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@H]1O ZINC000270073730 473979744 /nfs/dbraw/zinc/97/97/44/473979744.db2.gz IKWLQHCXFSHPIW-GOEBONIOSA-N 1 0 345.399 2.885 20 5 EFBDRO CC(C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000180926200 473987168 /nfs/dbraw/zinc/98/71/68/473987168.db2.gz NGYAQAITUQNQFO-INIZCTEOSA-N 1 0 348.447 2.663 20 5 EFBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000264436742 473990678 /nfs/dbraw/zinc/99/06/78/473990678.db2.gz BITNYULBYOPZTM-INIZCTEOSA-N 1 0 349.434 2.839 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000174158595 473996751 /nfs/dbraw/zinc/99/67/51/473996751.db2.gz VXHXLXMSDDGUBL-QGZVFWFLSA-N 1 0 348.447 2.730 20 5 EFBDRO CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288620711 474001957 /nfs/dbraw/zinc/00/19/57/474001957.db2.gz XSXNZQAHZNNXAR-SNVBAGLBSA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000264493017 474012987 /nfs/dbraw/zinc/01/29/87/474012987.db2.gz SZTHRCPPLKMYGU-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCOCCO)s1 ZINC000181233260 474017949 /nfs/dbraw/zinc/01/79/49/474017949.db2.gz WAXHJYAOUCQKRC-UHFFFAOYSA-N 1 0 336.413 2.812 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282332001 474025330 /nfs/dbraw/zinc/02/53/30/474025330.db2.gz FWROTETTWSZPKH-AWEZNQCLSA-N 1 0 336.436 2.509 20 5 EFBDRO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000174369353 474029889 /nfs/dbraw/zinc/02/98/89/474029889.db2.gz QDSKBDSTXQNCJO-ZDUSSCGKSA-N 1 0 326.418 2.810 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247009217 474033866 /nfs/dbraw/zinc/03/38/66/474033866.db2.gz LFYWCEAAMBALCY-HIFRSBDPSA-N 1 0 348.447 2.995 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000174393316 474034816 /nfs/dbraw/zinc/03/48/16/474034816.db2.gz PUDOSUSVBKGRAG-HNNXBMFYSA-N 1 0 334.420 2.611 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000282366182 474038961 /nfs/dbraw/zinc/03/89/61/474038961.db2.gz XWPFWBDXJQVKKL-IYBDPMFKSA-N 1 0 338.411 2.745 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000181471732 474039528 /nfs/dbraw/zinc/03/95/28/474039528.db2.gz XXNSTWSORAPPIR-CQSZACIVSA-N 1 0 342.399 2.800 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000181477283 474039555 /nfs/dbraw/zinc/03/95/55/474039555.db2.gz SLUOWHUCINHGMY-CYBMUJFWSA-N 1 0 343.811 2.573 20 5 EFBDRO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282394321 474047932 /nfs/dbraw/zinc/04/79/32/474047932.db2.gz HCZZSQZYMOVKKR-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181668925 474056778 /nfs/dbraw/zinc/05/67/78/474056778.db2.gz CWFMQHDHMCSVAP-GXTWGEPZSA-N 1 0 346.431 2.681 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000195333936 474059908 /nfs/dbraw/zinc/05/99/08/474059908.db2.gz VVSKZKVRKJCYML-ZDUSSCGKSA-N 1 0 333.392 2.962 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000195346194 474062654 /nfs/dbraw/zinc/06/26/54/474062654.db2.gz OAEVDRMZWGSKNZ-UHFFFAOYSA-N 1 0 329.404 2.590 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000282431137 474063087 /nfs/dbraw/zinc/06/30/87/474063087.db2.gz RHOZJDGCRRGFPQ-QHCPKHFHSA-N 1 0 334.397 2.856 20 5 EFBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000264619660 474063512 /nfs/dbraw/zinc/06/35/12/474063512.db2.gz RIFNSUYIDKRQBQ-OAHLLOKOSA-N 1 0 345.399 2.665 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000181914087 474069465 /nfs/dbraw/zinc/06/94/65/474069465.db2.gz RJTKXFMKBPZBFU-HNNXBMFYSA-N 1 0 334.416 2.991 20 5 EFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000264664057 474080851 /nfs/dbraw/zinc/08/08/51/474080851.db2.gz MOYPMIDIEHBMHB-UHFFFAOYSA-N 1 0 333.344 2.771 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264679171 474085101 /nfs/dbraw/zinc/08/51/01/474085101.db2.gz CALYOCMJOBBPPS-UONOGXRCSA-N 1 0 348.321 2.751 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000182069255 474091729 /nfs/dbraw/zinc/09/17/29/474091729.db2.gz GXRKHUAZFSAPSF-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000182093635 474099227 /nfs/dbraw/zinc/09/92/27/474099227.db2.gz AHCRDQXRNUDXPA-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000174834715 474104692 /nfs/dbraw/zinc/10/46/92/474104692.db2.gz IVCSEMJWNMEOBU-UHFFFAOYSA-N 1 0 344.415 2.515 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275209637 474104959 /nfs/dbraw/zinc/10/49/59/474104959.db2.gz JMCQISHHNZRVJI-ZIAGYGMSSA-N 1 0 341.795 2.734 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247303346 474112846 /nfs/dbraw/zinc/11/28/46/474112846.db2.gz PMRUSLNELAIKJD-UONOGXRCSA-N 1 0 349.456 2.873 20 5 EFBDRO CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182178663 474115662 /nfs/dbraw/zinc/11/56/62/474115662.db2.gz AYVKLNJWGFWGCN-CYBMUJFWSA-N 1 0 336.413 2.918 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000282576462 474116599 /nfs/dbraw/zinc/11/65/99/474116599.db2.gz AGVJUZVUKUFHRD-AWEZNQCLSA-N 1 0 349.431 2.940 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000264753536 474116580 /nfs/dbraw/zinc/11/65/80/474116580.db2.gz SUXAHSMUJVHDRB-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000182201204 474121241 /nfs/dbraw/zinc/12/12/41/474121241.db2.gz VVDBITHFEITYEH-NVXWUHKLSA-N 1 0 342.395 2.954 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000270463438 474129014 /nfs/dbraw/zinc/12/90/14/474129014.db2.gz LUGBZPQOXFTTSG-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000270461955 474129623 /nfs/dbraw/zinc/12/96/23/474129623.db2.gz LIYGEKPMHCUVBT-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247372866 474131956 /nfs/dbraw/zinc/13/19/56/474131956.db2.gz KYFPCEHUGADUFJ-ZWNOBZJWSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@H](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182243756 474132487 /nfs/dbraw/zinc/13/24/87/474132487.db2.gz SATXXBAOWFDLCR-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000175020012 474133552 /nfs/dbraw/zinc/13/35/52/474133552.db2.gz KTBTURUJGXPJOT-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000289084241 474142742 /nfs/dbraw/zinc/14/27/42/474142742.db2.gz OGSSLFYYEFZJGI-JTQLQIEISA-N 1 0 349.478 2.592 20 5 EFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000264850539 474149547 /nfs/dbraw/zinc/14/95/47/474149547.db2.gz LNPLCXXXOIBGLD-QGZVFWFLSA-N 1 0 332.404 2.636 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247474387 474156599 /nfs/dbraw/zinc/15/65/99/474156599.db2.gz RZZCWYXMSBROOI-VNHYZAJKSA-N 1 0 349.456 2.771 20 5 EFBDRO C[N@H+](CCOCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000282691566 474158505 /nfs/dbraw/zinc/15/85/05/474158505.db2.gz JAIZSIIPKRUDQX-UHFFFAOYSA-N 1 0 336.413 2.764 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000264957301 474161159 /nfs/dbraw/zinc/16/11/59/474161159.db2.gz YZWMXUYFUNNDIU-VXGBXAGGSA-N 1 0 325.434 2.532 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000282706697 474163443 /nfs/dbraw/zinc/16/34/43/474163443.db2.gz BFKQQPQBEQCAQH-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265260120 474170596 /nfs/dbraw/zinc/17/05/96/474170596.db2.gz YCSSPABMASIYRB-UHFFFAOYSA-N 1 0 327.812 2.531 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000223863187 474192400 /nfs/dbraw/zinc/19/24/00/474192400.db2.gz GUZWNNRFQLMBRR-RYUDHWBXSA-N 1 0 341.209 2.791 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289269971 474204852 /nfs/dbraw/zinc/20/48/52/474204852.db2.gz RFIFHJQEPPRTHE-NHYWBVRUSA-N 1 0 336.367 2.824 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000188833109 474210257 /nfs/dbraw/zinc/21/02/57/474210257.db2.gz SUYSNEGFQLCWMR-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000282832095 474211253 /nfs/dbraw/zinc/21/12/53/474211253.db2.gz LQJDEIJGCJKDMZ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C4CCC4)CC3)co2)cc1 ZINC000270665335 474211399 /nfs/dbraw/zinc/21/13/99/474211399.db2.gz WJYXVFUGPWXRQD-UHFFFAOYSA-N 1 0 342.399 2.920 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000247852157 474217514 /nfs/dbraw/zinc/21/75/14/474217514.db2.gz RVADKGBAAWUBNN-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275519448 474218571 /nfs/dbraw/zinc/21/85/71/474218571.db2.gz IVYOYYCCXZVZLT-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289308643 474219303 /nfs/dbraw/zinc/21/93/03/474219303.db2.gz AHMMTFICBJJATO-PWSUYJOCSA-N 1 0 338.795 2.997 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000182657139 474227435 /nfs/dbraw/zinc/22/74/35/474227435.db2.gz ORROXHCHHBEIMY-CYBMUJFWSA-N 1 0 331.416 2.955 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000275564091 474237296 /nfs/dbraw/zinc/23/72/96/474237296.db2.gz DRFIWMFTHJCSJM-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO CC(=O)c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265503895 474237479 /nfs/dbraw/zinc/23/74/79/474237479.db2.gz NPHQFSGBKMFURN-AWEZNQCLSA-N 1 0 347.415 2.710 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248000047 474243755 /nfs/dbraw/zinc/24/37/55/474243755.db2.gz KIOFMOMCWWCSBB-GUFYHEMZSA-N 1 0 329.400 2.551 20 5 EFBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000289392061 474252694 /nfs/dbraw/zinc/25/26/94/474252694.db2.gz KCXJNUNVEBXXDM-UHFFFAOYSA-N 1 0 337.376 2.773 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000282971741 474259155 /nfs/dbraw/zinc/25/91/55/474259155.db2.gz AYMHBKIDSVNQIR-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000189027314 474269364 /nfs/dbraw/zinc/26/93/64/474269364.db2.gz JAGPCUDHCPTQKM-MRXNPFEDSA-N 1 0 330.384 2.605 20 5 EFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000235666555 474270297 /nfs/dbraw/zinc/27/02/97/474270297.db2.gz NAZHWAJCKVQVQG-GXSJLCMTSA-N 1 0 328.210 2.839 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850819 474271128 /nfs/dbraw/zinc/27/11/28/474271128.db2.gz HGTUKRJTNSGQBJ-STQMWFEESA-N 1 0 346.431 2.560 20 5 EFBDRO CCCC[N@H+](CCCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289453929 474277364 /nfs/dbraw/zinc/27/73/64/474277364.db2.gz NMTFNLHECKXHJE-UHFFFAOYSA-N 1 0 326.393 2.597 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180338 474279375 /nfs/dbraw/zinc/27/93/75/474279375.db2.gz WITPPCQKBLWZOF-SWLSCSKDSA-N 1 0 330.388 2.652 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000283035799 474280951 /nfs/dbraw/zinc/28/09/51/474280951.db2.gz QULGALLZUYXDSX-MRXNPFEDSA-N 1 0 340.383 2.991 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000182929566 474289718 /nfs/dbraw/zinc/28/97/18/474289718.db2.gz BVUAPAMOWUFBFB-CQSZACIVSA-N 1 0 329.404 2.968 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955606 474296106 /nfs/dbraw/zinc/29/61/06/474296106.db2.gz ZVWYPLCPUPYBCK-INIZCTEOSA-N 1 0 334.464 2.534 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000248375348 474299542 /nfs/dbraw/zinc/29/95/42/474299542.db2.gz WNMXBIKPPWZBJF-CVEARBPZSA-N 1 0 334.416 2.989 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236928830 474304265 /nfs/dbraw/zinc/30/42/65/474304265.db2.gz RNEMCUUIJKARQZ-SNVBAGLBSA-N 1 0 344.209 2.605 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747771 474304381 /nfs/dbraw/zinc/30/43/81/474304381.db2.gz RJWPCTWPHRVSOO-GUTXKFCHSA-N 1 0 329.404 2.785 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236930024 474304579 /nfs/dbraw/zinc/30/45/79/474304579.db2.gz FWVMVIXKMADDIE-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO COC[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000265739264 474316041 /nfs/dbraw/zinc/31/60/41/474316041.db2.gz BPZLXSFHKAFJLT-CYBMUJFWSA-N 1 0 331.372 2.761 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000265753909 474323121 /nfs/dbraw/zinc/32/31/21/474323121.db2.gz DDKOIYGHFDWNQO-IRXDYDNUSA-N 1 0 341.411 2.890 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000270930295 474326266 /nfs/dbraw/zinc/32/62/66/474326266.db2.gz HRYWJPRCXAWYRT-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248448299 474326521 /nfs/dbraw/zinc/32/65/21/474326521.db2.gz HQMRLWPMASTTGT-XJKSGUPXSA-N 1 0 346.383 2.733 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000248456740 474329780 /nfs/dbraw/zinc/32/97/80/474329780.db2.gz LVUHMMMVXKALEJ-UGUYLWEFSA-N 1 0 334.416 2.845 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000183116830 474331900 /nfs/dbraw/zinc/33/19/00/474331900.db2.gz PQANIWFSRIPVTM-WFASDCNBSA-N 1 0 331.372 2.949 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000183116887 474331962 /nfs/dbraw/zinc/33/19/62/474331962.db2.gz PQANIWFSRIPVTM-IUODEOHRSA-N 1 0 331.372 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000248463969 474333487 /nfs/dbraw/zinc/33/34/87/474333487.db2.gz QVRHXRUKZTYMDT-MSOLQXFVSA-N 1 0 346.358 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1F ZINC000283213760 474339290 /nfs/dbraw/zinc/33/92/90/474339290.db2.gz SFARALYQEUXPLI-UHFFFAOYSA-N 1 0 326.393 2.832 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283232929 474345310 /nfs/dbraw/zinc/34/53/10/474345310.db2.gz UGLQCRUGZHLRLE-INIZCTEOSA-N 1 0 334.347 2.956 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265827632 474352473 /nfs/dbraw/zinc/35/24/73/474352473.db2.gz SDSCTLOVFRKERV-INIZCTEOSA-N 1 0 333.432 2.863 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)C3CCC3)o2)c1 ZINC000275898396 474354423 /nfs/dbraw/zinc/35/44/23/474354423.db2.gz ULHHPTXPUBPESP-UHFFFAOYSA-N 1 0 331.372 2.639 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265839197 474357471 /nfs/dbraw/zinc/35/74/71/474357471.db2.gz VKMWPLOVWDFFMX-UHFFFAOYSA-N 1 0 333.432 2.815 20 5 EFBDRO COCCCN(CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289642543 474359102 /nfs/dbraw/zinc/35/91/02/474359102.db2.gz WTRCWCWHBVWKBL-UHFFFAOYSA-N 1 0 337.203 2.732 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000275914160 474360720 /nfs/dbraw/zinc/36/07/20/474360720.db2.gz SVIUHEOYBLMZAM-UHFFFAOYSA-N 1 0 345.403 2.627 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000237241995 474364345 /nfs/dbraw/zinc/36/43/45/474364345.db2.gz QRXOVPGNRNXMLY-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000248588655 474368596 /nfs/dbraw/zinc/36/85/96/474368596.db2.gz YPSNCKTVCOQUQR-MBNYWOFBSA-N 1 0 335.404 2.956 20 5 EFBDRO CCOC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356734 474371097 /nfs/dbraw/zinc/37/10/97/474371097.db2.gz XBQQRNXADSSBOI-XJKSGUPXSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933195 474391151 /nfs/dbraw/zinc/39/11/51/474391151.db2.gz DZGFRIUWEMWEBG-GXFFZTMASA-N 1 0 325.796 2.660 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000271061958 474392291 /nfs/dbraw/zinc/39/22/91/474392291.db2.gz CICGIVQIIHUDTO-GFCCVEGCSA-N 1 0 335.404 2.690 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000189428186 474393386 /nfs/dbraw/zinc/39/33/86/474393386.db2.gz JIHPLDPGQGTHEV-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265941292 474395765 /nfs/dbraw/zinc/39/57/65/474395765.db2.gz HSUXNBNJJPUEOP-BXUZGUMPSA-N 1 0 331.372 2.753 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265941293 474396053 /nfs/dbraw/zinc/39/60/53/474396053.db2.gz HSUXNBNJJPUEOP-FZMZJTMJSA-N 1 0 331.372 2.753 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248662584 474398814 /nfs/dbraw/zinc/39/88/14/474398814.db2.gz HCGQVYVRPQXARF-ZFWWWQNUSA-N 1 0 333.436 2.573 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237445237 474404280 /nfs/dbraw/zinc/40/42/80/474404280.db2.gz SKLVJXZVUZIYLA-ZFWWWQNUSA-N 1 0 346.431 2.537 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000283452978 474408004 /nfs/dbraw/zinc/40/80/04/474408004.db2.gz LAGYFCOIHODNNH-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(CC[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000265980401 474411905 /nfs/dbraw/zinc/41/19/05/474411905.db2.gz BIYYJCFSDCNWEK-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000176219202 474414161 /nfs/dbraw/zinc/41/41/61/474414161.db2.gz WCTQCXBDMCYVSI-UHFFFAOYSA-N 1 0 344.415 2.515 20 5 EFBDRO COCC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271165404 474414927 /nfs/dbraw/zinc/41/49/27/474414927.db2.gz FNLRTEVROOVEJA-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000266051135 474416362 /nfs/dbraw/zinc/41/63/62/474416362.db2.gz OKSGKUSOGWBMEP-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO CN(CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000183742547 474420991 /nfs/dbraw/zinc/42/09/91/474420991.db2.gz JKDCFRATHXYFQF-UHFFFAOYSA-N 1 0 347.802 2.996 20 5 EFBDRO Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000289774557 474420974 /nfs/dbraw/zinc/42/09/74/474420974.db2.gz RJTPLZWDIAEGJU-QWHCGFSZSA-N 1 0 332.322 2.896 20 5 EFBDRO C[N@H+](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000176262191 474423468 /nfs/dbraw/zinc/42/34/68/474423468.db2.gz QTNMWJQCOXKYTG-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237541080 474425826 /nfs/dbraw/zinc/42/58/26/474425826.db2.gz WESKDFGBXAALEO-ZOWXZIJZSA-N 1 0 337.445 2.709 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000283543186 474431389 /nfs/dbraw/zinc/43/13/89/474431389.db2.gz SMCJXRVQHBZZMJ-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO COCCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000289800564 474431669 /nfs/dbraw/zinc/43/16/69/474431669.db2.gz MTGKAPWZVKTAMF-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO COCC1(O)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000271188151 474432158 /nfs/dbraw/zinc/43/21/58/474432158.db2.gz OAVKWUFQXBYKDF-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276167064 474438069 /nfs/dbraw/zinc/43/80/69/474438069.db2.gz CAQYTVFKPJDOLD-UHFFFAOYSA-N 1 0 327.797 2.512 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000283578886 474441452 /nfs/dbraw/zinc/44/14/52/474441452.db2.gz WHUAWSSTYZMCOG-ZIAGYGMSSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289821911 474443204 /nfs/dbraw/zinc/44/32/04/474443204.db2.gz OEKVVYZMSQJIQK-MRXNPFEDSA-N 1 0 349.431 2.837 20 5 EFBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289828319 474446482 /nfs/dbraw/zinc/44/64/82/474446482.db2.gz OCGFPZZQMSQRCL-ZFWWWQNUSA-N 1 0 334.397 2.827 20 5 EFBDRO COCCOCCOCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276216155 474455945 /nfs/dbraw/zinc/45/59/45/474455945.db2.gz IFWKJLIEMGUAJK-OAHLLOKOSA-N 1 0 340.420 2.576 20 5 EFBDRO CC(=O)c1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000283657247 474460250 /nfs/dbraw/zinc/46/02/50/474460250.db2.gz VUIUONHCGAYJMG-BETUJISGSA-N 1 0 335.404 2.709 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2OCCO2)s1 ZINC000289888450 474472557 /nfs/dbraw/zinc/47/25/57/474472557.db2.gz WYTFLTCWQKTJRT-UHFFFAOYSA-N 1 0 349.412 2.771 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000237774257 474474578 /nfs/dbraw/zinc/47/45/78/474474578.db2.gz YAFNKZBISLDPQH-UHFFFAOYSA-N 1 0 346.431 2.586 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000283737140 474483214 /nfs/dbraw/zinc/48/32/14/474483214.db2.gz IPRYTHIIPZZRFQ-GHMZBOCLSA-N 1 0 331.376 2.528 20 5 EFBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000237841872 474485535 /nfs/dbraw/zinc/48/55/35/474485535.db2.gz JYQSZVJTSRVKCX-UHFFFAOYSA-N 1 0 341.367 2.950 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000276312362 474491407 /nfs/dbraw/zinc/49/14/07/474491407.db2.gz MPJATFTUPOPJBX-MRXNPFEDSA-N 1 0 348.374 2.743 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)COCc1ccccc1 ZINC000276312353 474491616 /nfs/dbraw/zinc/49/16/16/474491616.db2.gz MPJATFTUPOPJBX-INIZCTEOSA-N 1 0 348.374 2.743 20 5 EFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237887528 474493969 /nfs/dbraw/zinc/49/39/69/474493969.db2.gz BOIGQRZZOSNOBJ-IAGOWNOFSA-N 1 0 331.416 2.777 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000184269683 474494863 /nfs/dbraw/zinc/49/48/63/474494863.db2.gz OESYGJMTEMSHOK-UHFFFAOYSA-N 1 0 342.367 2.812 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266825316 474495536 /nfs/dbraw/zinc/49/55/36/474495536.db2.gz CTQYZJRZPIULMD-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000289949649 474498778 /nfs/dbraw/zinc/49/87/78/474498778.db2.gz XPDQMGZWEJTXRW-BBRMVZONSA-N 1 0 332.404 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000266871556 474510819 /nfs/dbraw/zinc/51/08/19/474510819.db2.gz QDOJFSFJKMUSPW-SFHVURJKSA-N 1 0 349.431 2.763 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249050958 474512895 /nfs/dbraw/zinc/51/28/95/474512895.db2.gz IBFVSQWIPFBUMB-DZKIICNBSA-N 1 0 333.432 2.762 20 5 EFBDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289997711 474520470 /nfs/dbraw/zinc/52/04/70/474520470.db2.gz XWOGIMZCNBEBLN-APWZRJJASA-N 1 0 342.395 2.859 20 5 EFBDRO [NH3+]C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000238022384 474523995 /nfs/dbraw/zinc/52/39/95/474523995.db2.gz MILMVEVEBGGBKB-GOSISDBHSA-N 1 0 341.411 2.776 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000271392184 474524223 /nfs/dbraw/zinc/52/42/23/474524223.db2.gz UDKHMVNVCSDSTM-NVXWUHKLSA-N 1 0 344.415 2.582 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000271392181 474524260 /nfs/dbraw/zinc/52/42/60/474524260.db2.gz UDKHMVNVCSDSTM-DOTOQJQBSA-N 1 0 344.415 2.582 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992778 474530166 /nfs/dbraw/zinc/53/01/66/474530166.db2.gz YCCDWYBBRQHILP-ZBFHGGJFSA-N 1 0 342.823 2.904 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000238068917 474530179 /nfs/dbraw/zinc/53/01/79/474530179.db2.gz MTOYDFBFIQRDRZ-OAHLLOKOSA-N 1 0 339.823 2.815 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000238090516 474532979 /nfs/dbraw/zinc/53/29/79/474532979.db2.gz FNKYXNZCLLOXHS-NSHDSACASA-N 1 0 346.412 2.529 20 5 EFBDRO C[C@H](CO)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000276418085 474535406 /nfs/dbraw/zinc/53/54/06/474535406.db2.gz HYMWOIZKFLSVDF-GFCCVEGCSA-N 1 0 336.388 2.587 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)CC1 ZINC000283965805 474538478 /nfs/dbraw/zinc/53/84/78/474538478.db2.gz CCLVLAIAZZWQAD-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290046318 474539561 /nfs/dbraw/zinc/53/95/61/474539561.db2.gz GXYZGEHESXSSGA-ZDUSSCGKSA-N 1 0 343.383 2.803 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000184545404 474543180 /nfs/dbraw/zinc/54/31/80/474543180.db2.gz ZAUDOCXTLLYBIV-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000283990964 474543978 /nfs/dbraw/zinc/54/39/78/474543978.db2.gz NAUOJJLIXLBDJG-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO CNc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000609072711 480111239 /nfs/dbraw/zinc/11/12/39/480111239.db2.gz CLFUWHBEORPYLS-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271447668 474552023 /nfs/dbraw/zinc/55/20/23/474552023.db2.gz DAKHQXSWECLWGM-XCRHUMRWSA-N 1 0 330.384 2.730 20 5 EFBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000290097761 474557152 /nfs/dbraw/zinc/55/71/52/474557152.db2.gz ZZOOCEKMGGRHSO-LLVKDONJSA-N 1 0 337.376 2.773 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000271476117 474563323 /nfs/dbraw/zinc/56/33/23/474563323.db2.gz IBRZFNMWMJTFLD-OWQGQXMQSA-N 1 0 330.384 2.730 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000271476123 474563855 /nfs/dbraw/zinc/56/38/55/474563855.db2.gz IBRZFNMWMJTFLD-XCRHUMRWSA-N 1 0 330.384 2.730 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271478681 474565397 /nfs/dbraw/zinc/56/53/97/474565397.db2.gz LMJVVHDQDOUQKG-ZIAGYGMSSA-N 1 0 344.415 2.900 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284081529 474567003 /nfs/dbraw/zinc/56/70/03/474567003.db2.gz RMAVHXWCLLWXFM-NWDGAFQWSA-N 1 0 336.367 2.743 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284100740 474572191 /nfs/dbraw/zinc/57/21/91/474572191.db2.gz MUKYKKWYLOZJFY-APPDUMDISA-N 1 0 331.372 2.570 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505194 474573832 /nfs/dbraw/zinc/57/38/32/474573832.db2.gz MPOAGAAXYLMTKK-TVQRCGJNSA-N 1 0 336.310 2.957 20 5 EFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284146044 474582455 /nfs/dbraw/zinc/58/24/55/474582455.db2.gz PDVVEPGLCAAKFI-UHFFFAOYSA-N 1 0 339.348 2.715 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000249510119 474582802 /nfs/dbraw/zinc/58/28/02/474582802.db2.gz NVAWJOBVALTHEZ-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000249526185 474586817 /nfs/dbraw/zinc/58/68/17/474586817.db2.gz UFVLEKFZAGSIAF-HUUCEWRRSA-N 1 0 348.447 2.857 20 5 EFBDRO COCCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000267106504 474591157 /nfs/dbraw/zinc/59/11/57/474591157.db2.gz WBFFJKODKZKAIS-UHFFFAOYSA-N 1 0 332.404 2.720 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000284197759 474593425 /nfs/dbraw/zinc/59/34/25/474593425.db2.gz ZINCHKMTCOOTKF-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[NH+]1CCC(O)(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000267121144 474595000 /nfs/dbraw/zinc/59/50/00/474595000.db2.gz OBFWZRNILWBCFD-UHFFFAOYSA-N 1 0 349.434 2.575 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609120988 480114320 /nfs/dbraw/zinc/11/43/20/480114320.db2.gz FFNNDHXDBMTAPF-INIZCTEOSA-N 1 0 329.400 2.748 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249689807 474603113 /nfs/dbraw/zinc/60/31/13/474603113.db2.gz PGYBJYMDINXRQB-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267174717 474609042 /nfs/dbraw/zinc/60/90/42/474609042.db2.gz IYHWCKLHURFWSY-UHFFFAOYSA-N 1 0 325.384 2.671 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000267217745 474620522 /nfs/dbraw/zinc/62/05/22/474620522.db2.gz SAWFECPZNUQKJR-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267248514 474627503 /nfs/dbraw/zinc/62/75/03/474627503.db2.gz NWDPFRWADYYVKU-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000272874164 474630849 /nfs/dbraw/zinc/63/08/49/474630849.db2.gz VIJZKWWHJXORCN-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1cc(N[C@@H](C)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272881258 474633009 /nfs/dbraw/zinc/63/30/09/474633009.db2.gz VKUZKZHFUOMCFD-ZDUSSCGKSA-N 1 0 330.388 2.584 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1Br ZINC000267280502 474636722 /nfs/dbraw/zinc/63/67/22/474636722.db2.gz VDNOLRKLIFPQBN-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000272943560 474646818 /nfs/dbraw/zinc/64/68/18/474646818.db2.gz NYIWSKQIPVWPRR-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000291679326 474648003 /nfs/dbraw/zinc/64/80/03/474648003.db2.gz XDOHQYNQNOUBAL-ONGXEEELSA-N 1 0 349.214 2.636 20 5 EFBDRO COCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000291687513 474649822 /nfs/dbraw/zinc/64/98/22/474649822.db2.gz IOYMMIZTERVESX-UHFFFAOYSA-N 1 0 328.796 2.781 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272961626 474651179 /nfs/dbraw/zinc/65/11/79/474651179.db2.gz NMHNXXNDMFXEPZ-NSHDSACASA-N 1 0 335.429 2.697 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278464979 474651300 /nfs/dbraw/zinc/65/13/00/474651300.db2.gz FYDNWNBOOIKXAE-CQSZACIVSA-N 1 0 349.822 2.740 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000272982971 474657837 /nfs/dbraw/zinc/65/78/37/474657837.db2.gz JMDTYRXQPJDGTE-BLLLJJGKSA-N 1 0 345.374 2.790 20 5 EFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000278510941 474671936 /nfs/dbraw/zinc/67/19/36/474671936.db2.gz PWYBDOCISIECQB-CQSZACIVSA-N 1 0 348.424 2.762 20 5 EFBDRO Cc1nn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1[N+](=O)[O-] ZINC000278510240 474672360 /nfs/dbraw/zinc/67/23/60/474672360.db2.gz DYZNJMDPRFZGRJ-QGZVFWFLSA-N 1 0 344.415 2.699 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000273016682 474672730 /nfs/dbraw/zinc/67/27/30/474672730.db2.gz PQSKJAKLQHUWRT-WBMJQRKESA-N 1 0 337.445 2.581 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1 ZINC000344349215 474674431 /nfs/dbraw/zinc/67/44/31/474674431.db2.gz VODZLJRQTOOGLG-HZPDHXFCSA-N 1 0 336.338 2.922 20 5 EFBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278546809 474694259 /nfs/dbraw/zinc/69/42/59/474694259.db2.gz AXRARTBAPZGVBH-PXAZEXFGSA-N 1 0 348.424 2.953 20 5 EFBDRO Cc1c([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114245 474694313 /nfs/dbraw/zinc/69/43/13/474694313.db2.gz HFZVWLOFUNWKGF-HZPDHXFCSA-N 1 0 335.448 2.647 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252652771 474703246 /nfs/dbraw/zinc/70/32/46/474703246.db2.gz FEZOIFFCOQQWCB-QWQRMKEZSA-N 1 0 347.415 2.549 20 5 EFBDRO C[N@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000273079155 474705873 /nfs/dbraw/zinc/70/58/73/474705873.db2.gz AOKHGRVMADOAEJ-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO CC[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155138 474706105 /nfs/dbraw/zinc/70/61/05/474706105.db2.gz VMCQBDZVIROHCR-ZWKOTPCHSA-N 1 0 335.448 2.728 20 5 EFBDRO CC[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155136 474706894 /nfs/dbraw/zinc/70/68/94/474706894.db2.gz VMCQBDZVIROHCR-QZTJIDSGSA-N 1 0 335.448 2.728 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000278565321 474706834 /nfs/dbraw/zinc/70/68/34/474706834.db2.gz QYFVSUKHYNJXMO-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000273091330 474710318 /nfs/dbraw/zinc/71/03/18/474710318.db2.gz IXAOCDFBYAKQQH-MRXNPFEDSA-N 1 0 342.399 2.559 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273091326 474710614 /nfs/dbraw/zinc/71/06/14/474710614.db2.gz IXAOCDFBYAKQQH-INIZCTEOSA-N 1 0 342.399 2.559 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284663338 474712201 /nfs/dbraw/zinc/71/22/01/474712201.db2.gz GOHMJIIVAACFBR-HOCLYGCPSA-N 1 0 336.388 2.626 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000292926796 474717918 /nfs/dbraw/zinc/71/79/18/474717918.db2.gz CEDGFPAFVKDZBZ-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000278597785 474726927 /nfs/dbraw/zinc/72/69/27/474726927.db2.gz ZJDIRMCYBZQZHF-JGWYNZBZSA-N 1 0 348.443 2.826 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000292945679 474728944 /nfs/dbraw/zinc/72/89/44/474728944.db2.gz DNWJYPCTLOCEAL-AWEZNQCLSA-N 1 0 336.779 2.598 20 5 EFBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000278599711 474729198 /nfs/dbraw/zinc/72/91/98/474729198.db2.gz CBWPCVOXLYUYKX-UHFFFAOYSA-N 1 0 348.321 2.899 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000273126340 474730332 /nfs/dbraw/zinc/73/03/32/474730332.db2.gz LSPUVHMIXLJCKE-MRXNPFEDSA-N 1 0 330.384 2.687 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344413632 474731209 /nfs/dbraw/zinc/73/12/09/474731209.db2.gz DTVBFKIIWOAXKF-STQMWFEESA-N 1 0 346.431 2.724 20 5 EFBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340870666 474736685 /nfs/dbraw/zinc/73/66/85/474736685.db2.gz BZNDNGJWTBDXCF-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292962620 474736992 /nfs/dbraw/zinc/73/69/92/474736992.db2.gz FUFGQSUEYNDVSP-HNNXBMFYSA-N 1 0 337.376 2.780 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000344421295 474741041 /nfs/dbraw/zinc/74/10/41/474741041.db2.gz KWUQHWIZRSWILO-BETUJISGSA-N 1 0 344.415 2.560 20 5 EFBDRO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000293002969 474759879 /nfs/dbraw/zinc/75/98/79/474759879.db2.gz PBGFSSRVGXXNFC-QGZVFWFLSA-N 1 0 337.395 2.660 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293008263 474763257 /nfs/dbraw/zinc/76/32/57/474763257.db2.gz DIOZRTTUDWPXAJ-QGZVFWFLSA-N 1 0 338.404 2.729 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000284777953 474767896 /nfs/dbraw/zinc/76/78/96/474767896.db2.gz NCWKCORSSCTFAA-LSDHHAIUSA-N 1 0 344.371 2.788 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293021612 474769514 /nfs/dbraw/zinc/76/95/14/474769514.db2.gz LHMRDAMIUDKKIJ-QGZVFWFLSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254953324 474778410 /nfs/dbraw/zinc/77/84/10/474778410.db2.gz OFKUSCKONKZJHD-QWGSZXSUSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284807522 474780489 /nfs/dbraw/zinc/78/04/89/474780489.db2.gz PAOMISFJNSVABP-IAGOWNOFSA-N 1 0 347.415 2.875 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268070204 474780665 /nfs/dbraw/zinc/78/06/65/474780665.db2.gz AFULZZIAUUJPOO-ZDUSSCGKSA-N 1 0 333.413 2.976 20 5 EFBDRO Cc1cccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000305781906 474780954 /nfs/dbraw/zinc/78/09/54/474780954.db2.gz UZFXLNXNRLGWGR-DLBZAZTESA-N 1 0 346.431 2.838 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000278708017 474786393 /nfs/dbraw/zinc/78/63/93/474786393.db2.gz QRWWSEWGNJIFPX-JGGQBBKZSA-N 1 0 335.404 2.777 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000273225391 474788255 /nfs/dbraw/zinc/78/82/55/474788255.db2.gz VNVYMFLHXBKHEN-DZGCQCFKSA-N 1 0 346.383 2.694 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268096658 474795764 /nfs/dbraw/zinc/79/57/64/474795764.db2.gz KAYHLFTVCRQBQU-UHFFFAOYSA-N 1 0 333.413 2.690 20 5 EFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000268133239 474816809 /nfs/dbraw/zinc/81/68/09/474816809.db2.gz CYYJGQAERBPPMN-UHFFFAOYSA-N 1 0 331.372 2.899 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000268138434 474818381 /nfs/dbraw/zinc/81/83/81/474818381.db2.gz PEUAMFHRQDRZPY-BXUZGUMPSA-N 1 0 330.388 2.535 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268149356 474827395 /nfs/dbraw/zinc/82/73/95/474827395.db2.gz FYGSWRZATSTREU-GWCFXTLKSA-N 1 0 335.429 2.529 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000278787044 474834828 /nfs/dbraw/zinc/83/48/28/474834828.db2.gz LZHFRVZJRFDBDC-BJJXKVORSA-N 1 0 338.404 2.838 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000268162495 474836285 /nfs/dbraw/zinc/83/62/85/474836285.db2.gz OUWKYCCWVAKXPE-JOYOIKCWSA-N 1 0 343.225 2.529 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000345039153 474838115 /nfs/dbraw/zinc/83/81/15/474838115.db2.gz VZISPCKMAXXKMA-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000311409430 474838734 /nfs/dbraw/zinc/83/87/34/474838734.db2.gz IFAABEHIVZAAKG-VIFPVBQESA-N 1 0 331.214 2.893 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284956752 474842360 /nfs/dbraw/zinc/84/23/60/474842360.db2.gz XCMLLFVKGWYEBM-IRXDYDNUSA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284956750 474842464 /nfs/dbraw/zinc/84/24/64/474842464.db2.gz XCMLLFVKGWYEBM-IAGOWNOFSA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000278809511 474846585 /nfs/dbraw/zinc/84/65/85/474846585.db2.gz ZYYVWLJZFINDRD-DOTOQJQBSA-N 1 0 341.411 2.943 20 5 EFBDRO CCOc1cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000617217480 480129599 /nfs/dbraw/zinc/12/95/99/480129599.db2.gz NXYXTBRPWWLPKK-KRWDZBQOSA-N 1 0 349.431 2.730 20 5 EFBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000278823139 474854988 /nfs/dbraw/zinc/85/49/88/474854988.db2.gz CJRAZNQOTMTVRT-HNNXBMFYSA-N 1 0 338.795 2.764 20 5 EFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)Cc1ccccc1 ZINC000293190569 474861254 /nfs/dbraw/zinc/86/12/54/474861254.db2.gz FDISWTFFNBHCOL-OAHLLOKOSA-N 1 0 341.367 2.771 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000273381951 474869432 /nfs/dbraw/zinc/86/94/32/474869432.db2.gz IMSHGFQDQNYXQT-NHYWBVRUSA-N 1 0 336.367 2.682 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000273381947 474870735 /nfs/dbraw/zinc/87/07/35/474870735.db2.gz IMSHGFQDQNYXQT-IAQYHMDHSA-N 1 0 336.367 2.682 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293222706 474875525 /nfs/dbraw/zinc/87/55/25/474875525.db2.gz AKGJRSDKPGRMDQ-LBPRGKRZSA-N 1 0 343.383 2.842 20 5 EFBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293229787 474878372 /nfs/dbraw/zinc/87/83/72/474878372.db2.gz KRBIYTGBKZWAJU-UHFFFAOYSA-N 1 0 329.784 2.591 20 5 EFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCOCC1 ZINC000345090181 474881695 /nfs/dbraw/zinc/88/16/95/474881695.db2.gz JDPSLZGMOKLOPQ-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000292164000 474882044 /nfs/dbraw/zinc/88/20/44/474882044.db2.gz DHJJQDQPRYYDOQ-LLVKDONJSA-N 1 0 347.444 2.910 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341022001 474888001 /nfs/dbraw/zinc/88/80/01/474888001.db2.gz AASOMWQRTMAUFN-UHFFFAOYSA-N 1 0 328.844 2.568 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337318461 474891135 /nfs/dbraw/zinc/89/11/35/474891135.db2.gz MSDIXELDXKEPRB-INIZCTEOSA-N 1 0 347.415 2.814 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293256998 474893179 /nfs/dbraw/zinc/89/31/79/474893179.db2.gz FYWJCIKXBSBDCY-GWCFXTLKSA-N 1 0 331.397 2.634 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255717324 474894675 /nfs/dbraw/zinc/89/46/75/474894675.db2.gz ZDGCKCQXVKGUNZ-CGMDOEBQSA-N 1 0 329.400 2.551 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273438403 474896146 /nfs/dbraw/zinc/89/61/46/474896146.db2.gz AQWMRMSHENZOON-CABCVRRESA-N 1 0 349.456 2.555 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000255768172 474900906 /nfs/dbraw/zinc/90/09/06/474900906.db2.gz FXLCLCRVSGIPDT-OVULNCGTSA-N 1 0 331.416 2.797 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292210261 474906897 /nfs/dbraw/zinc/90/68/97/474906897.db2.gz UBNJMVHLAKJNNY-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000273458379 474908996 /nfs/dbraw/zinc/90/89/96/474908996.db2.gz MJIUNZWLTUEVOP-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285168394 474914823 /nfs/dbraw/zinc/91/48/23/474914823.db2.gz MUUILENUSLUNAX-MRVPVSSYSA-N 1 0 339.289 2.745 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255917994 474920365 /nfs/dbraw/zinc/92/03/65/474920365.db2.gz CFPPKRQEASYLFS-KUBOQAQJSA-N 1 0 329.400 2.693 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000292245065 474922424 /nfs/dbraw/zinc/92/24/24/474922424.db2.gz OMVVYCJLGMKBCU-KRWDZBQOSA-N 1 0 345.424 2.977 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273485461 474923894 /nfs/dbraw/zinc/92/38/94/474923894.db2.gz RJHUGLSTOWPMJH-LLVKDONJSA-N 1 0 338.383 2.928 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273500096 474932316 /nfs/dbraw/zinc/93/23/16/474932316.db2.gz PEMFZVWKJMNEHF-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000345145467 474933305 /nfs/dbraw/zinc/93/33/05/474933305.db2.gz GUWQWAZYWVSODI-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1occc1C ZINC000292289393 474943110 /nfs/dbraw/zinc/94/31/10/474943110.db2.gz MBFOBJZVUSMOII-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000292294302 474946665 /nfs/dbraw/zinc/94/66/65/474946665.db2.gz ULQMGJRWLNRFCB-YOEHRIQHSA-N 1 0 332.404 2.624 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)C1 ZINC000292304833 474949825 /nfs/dbraw/zinc/94/98/25/474949825.db2.gz NYRRKRCFWIRPOL-AWEZNQCLSA-N 1 0 340.221 2.889 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339125412 474952796 /nfs/dbraw/zinc/95/27/96/474952796.db2.gz VJWGUTJUSSMBKK-WCQYABFASA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000323978858 474959358 /nfs/dbraw/zinc/95/93/58/474959358.db2.gz DKCBBUOPGLZSJF-AWEZNQCLSA-N 1 0 341.415 2.530 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000273549653 474959455 /nfs/dbraw/zinc/95/94/55/474959455.db2.gz VFVDPABRXALRPE-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO COCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000339133153 474964459 /nfs/dbraw/zinc/96/44/59/474964459.db2.gz UMGVDCKDXQHKER-UHFFFAOYSA-N 1 0 330.388 2.775 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273590471 474978722 /nfs/dbraw/zinc/97/87/22/474978722.db2.gz HFOIUFPBBMVILM-ZBFHGGJFSA-N 1 0 341.415 2.874 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000292378695 474992236 /nfs/dbraw/zinc/99/22/36/474992236.db2.gz MTYZIUGLUNTRIV-AWEZNQCLSA-N 1 0 331.416 2.850 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC000261608857 474992570 /nfs/dbraw/zinc/99/25/70/474992570.db2.gz ANXQPUMXAGOPAT-MRVPVSSYSA-N 1 0 338.389 2.526 20 5 EFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000273617123 474992689 /nfs/dbraw/zinc/99/26/89/474992689.db2.gz NSBBKYSLMFLMKH-INIZCTEOSA-N 1 0 327.388 2.942 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000273627532 474995905 /nfs/dbraw/zinc/99/59/05/474995905.db2.gz PUMKAQPORRAQTL-UHFFFAOYSA-N 1 0 333.417 2.770 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279846611 474996088 /nfs/dbraw/zinc/99/60/88/474996088.db2.gz DBCJYRVAZLECNE-LLVKDONJSA-N 1 0 343.786 2.530 20 5 EFBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc2c1OCO2 ZINC000326237618 475000604 /nfs/dbraw/zinc/00/06/04/475000604.db2.gz WSYZVMUXAWEMAQ-UHFFFAOYSA-N 1 0 330.340 2.930 20 5 EFBDRO Cc1c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000261624995 475001932 /nfs/dbraw/zinc/00/19/32/475001932.db2.gz GPOZBLRLPAQRPI-MRXNPFEDSA-N 1 0 325.368 2.520 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268483040 475005687 /nfs/dbraw/zinc/00/56/87/475005687.db2.gz LRBPNFGVOLHXQT-KRWDZBQOSA-N 1 0 328.368 2.565 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@](C)(C(=O)OC)C1 ZINC000337429989 475009047 /nfs/dbraw/zinc/00/90/47/475009047.db2.gz FPFGEDVVQDOAPU-YVEFUNNKSA-N 1 0 336.388 2.625 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000292417098 475015231 /nfs/dbraw/zinc/01/52/31/475015231.db2.gz WEVYDPNREKVYGF-ZDUSSCGKSA-N 1 0 330.310 2.541 20 5 EFBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292429192 475020847 /nfs/dbraw/zinc/02/08/47/475020847.db2.gz VXKVSQVFWAVHSU-OAHLLOKOSA-N 1 0 333.432 2.780 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285453176 475024275 /nfs/dbraw/zinc/02/42/75/475024275.db2.gz GKLSHUZNRZSBSR-DOTOQJQBSA-N 1 0 333.432 2.922 20 5 EFBDRO COc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000327809051 475025438 /nfs/dbraw/zinc/02/54/38/475025438.db2.gz HNPNBBFJVRFVPU-OAHLLOKOSA-N 1 0 343.383 2.813 20 5 EFBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000328513553 475030657 /nfs/dbraw/zinc/03/06/57/475030657.db2.gz ORGUEAJHAFKQJF-NSHDSACASA-N 1 0 333.310 2.746 20 5 EFBDRO Cc1cccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000280674561 475042577 /nfs/dbraw/zinc/04/25/77/475042577.db2.gz UKVWLTFFKACPMX-AWEZNQCLSA-N 1 0 342.399 2.848 20 5 EFBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000337479059 475054084 /nfs/dbraw/zinc/05/40/84/475054084.db2.gz ZTBJPMMFHANZKA-SJKOYZFVSA-N 1 0 336.388 2.625 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000261764306 475055458 /nfs/dbraw/zinc/05/54/58/475055458.db2.gz OJDXXZZNEUWJOU-GOSISDBHSA-N 1 0 345.374 2.759 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000261781707 475060257 /nfs/dbraw/zinc/06/02/57/475060257.db2.gz NXFWXNRRBPXZOQ-UHFFFAOYSA-N 1 0 329.360 2.583 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261784674 475062126 /nfs/dbraw/zinc/06/21/26/475062126.db2.gz LLAQWYSWDYKKHW-ZDUSSCGKSA-N 1 0 349.456 2.678 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000345292772 475066058 /nfs/dbraw/zinc/06/60/58/475066058.db2.gz ILSCGZYVMGORNX-MRXNPFEDSA-N 1 0 344.415 2.746 20 5 EFBDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268965112 475099013 /nfs/dbraw/zinc/09/90/13/475099013.db2.gz YOIHUTNWXSIGJV-NWDGAFQWSA-N 1 0 336.413 2.981 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261895209 475103885 /nfs/dbraw/zinc/10/38/85/475103885.db2.gz VRJLPAQNOVGYJN-UHFFFAOYSA-N 1 0 329.356 2.557 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000281200205 475112509 /nfs/dbraw/zinc/11/25/09/475112509.db2.gz NCTWBYMOXYIWSJ-SNVBAGLBSA-N 1 0 328.210 2.745 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281221196 475121803 /nfs/dbraw/zinc/12/18/03/475121803.db2.gz RFJCNJPAKZNPOT-LBPRGKRZSA-N 1 0 331.376 2.530 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000269003466 475122882 /nfs/dbraw/zinc/12/28/82/475122882.db2.gz PURIXINPNRWBQL-XHDPSFHLSA-N 1 0 347.371 2.537 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000269003463 475122927 /nfs/dbraw/zinc/12/29/27/475122927.db2.gz PURIXINPNRWBQL-ABAIWWIYSA-N 1 0 347.371 2.537 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292625667 475122983 /nfs/dbraw/zinc/12/29/83/475122983.db2.gz OUUQBJLGPZLJMH-WFASDCNBSA-N 1 0 346.431 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000292636745 475127500 /nfs/dbraw/zinc/12/75/00/475127500.db2.gz YPKGPLSSDNUDDN-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000287440247 475147521 /nfs/dbraw/zinc/14/75/21/475147521.db2.gz KZJAKYSCWGCXNZ-DOTOQJQBSA-N 1 0 348.443 2.827 20 5 EFBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341571844 475155968 /nfs/dbraw/zinc/15/59/68/475155968.db2.gz ZMBQXDPTKYOKSQ-QGZVFWFLSA-N 1 0 341.411 2.772 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287462394 475159183 /nfs/dbraw/zinc/15/91/83/475159183.db2.gz HBUJKTUNNJBDAE-WFASDCNBSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1cc(OCc2nc([C@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339367803 475164412 /nfs/dbraw/zinc/16/44/12/475164412.db2.gz TZIWIQAXOKXFDD-LLVKDONJSA-N 1 0 336.348 2.611 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000341588075 475170297 /nfs/dbraw/zinc/17/02/97/475170297.db2.gz PVVKLIRKBKFQEA-LSDHHAIUSA-N 1 0 341.411 2.993 20 5 EFBDRO CO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296043873 475176654 /nfs/dbraw/zinc/17/66/54/475176654.db2.gz OFNSWJLUACBUNJ-IUODEOHRSA-N 1 0 335.404 2.669 20 5 EFBDRO CCC(=O)c1ccc(N[C@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000281335524 475176975 /nfs/dbraw/zinc/17/69/75/475176975.db2.gz AZQLMOJUWWZAIK-CQSZACIVSA-N 1 0 348.447 2.625 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCSC)c([N+](=O)[O-])c1 ZINC000281364745 475186816 /nfs/dbraw/zinc/18/68/16/475186816.db2.gz LKPCOGHZEIUPDT-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000296089786 475192246 /nfs/dbraw/zinc/19/22/46/475192246.db2.gz WLXWDKUDODYRFS-AEFFLSMTSA-N 1 0 327.384 2.903 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000296089795 475192372 /nfs/dbraw/zinc/19/23/72/475192372.db2.gz WLXWDKUDODYRFS-WMZOPIPTSA-N 1 0 327.384 2.903 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000292796304 475200132 /nfs/dbraw/zinc/20/01/32/475200132.db2.gz MZFSIXLNKDSTMN-CQSZACIVSA-N 1 0 344.337 2.931 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000296116938 475201711 /nfs/dbraw/zinc/20/17/11/475201711.db2.gz QTBUUILCTJLVQZ-NSHDSACASA-N 1 0 349.366 2.630 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296127597 475204954 /nfs/dbraw/zinc/20/49/54/475204954.db2.gz IQTNFEHZOUGOIN-KRWDZBQOSA-N 1 0 348.403 2.553 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OC(C)C ZINC000341653852 475207895 /nfs/dbraw/zinc/20/78/95/475207895.db2.gz FGXFIKGJXXRHPA-ZDUSSCGKSA-N 1 0 348.403 2.938 20 5 EFBDRO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262286374 475214320 /nfs/dbraw/zinc/21/43/20/475214320.db2.gz MJMKAXSDGXNGNX-ZONNIGTESA-N 1 0 331.416 2.926 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000347318995 475226541 /nfs/dbraw/zinc/22/65/41/475226541.db2.gz VUOJNQIGPHMJTK-NHYWBVRUSA-N 1 0 336.367 2.682 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000347318994 475227170 /nfs/dbraw/zinc/22/71/70/475227170.db2.gz VUOJNQIGPHMJTK-IAQYHMDHSA-N 1 0 336.367 2.682 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609382414 480154547 /nfs/dbraw/zinc/15/45/47/480154547.db2.gz AWSBIALNBKPBQA-GXTWGEPZSA-N 1 0 349.456 2.676 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361159167 475232294 /nfs/dbraw/zinc/23/22/94/475232294.db2.gz ISGMEYZDVBPDNU-GJZGRUSLSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609382421 480155137 /nfs/dbraw/zinc/15/51/37/480155137.db2.gz AWSBIALNBKPBQA-JSGCOSHPSA-N 1 0 349.456 2.676 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1cccnc1 ZINC000347334546 475241395 /nfs/dbraw/zinc/24/13/95/475241395.db2.gz IVHAZUCFYDZGQN-XNTDXEJSSA-N 1 0 327.384 2.888 20 5 EFBDRO CNc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361172425 475242343 /nfs/dbraw/zinc/24/23/43/475242343.db2.gz SKXDPBMJIRUYQP-ZIAGYGMSSA-N 1 0 348.447 2.734 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000361176615 475246280 /nfs/dbraw/zinc/24/62/80/475246280.db2.gz FLTSHPZOVYIXNT-LJQANCHMSA-N 1 0 342.395 2.738 20 5 EFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000357904925 475249436 /nfs/dbraw/zinc/24/94/36/475249436.db2.gz BNQVIFRCBQOIQY-LSDHHAIUSA-N 1 0 336.436 2.851 20 5 EFBDRO CCOCC[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352601 475258049 /nfs/dbraw/zinc/25/80/49/475258049.db2.gz FKYPXRJZZDIMBJ-SSZFMOIBSA-N 1 0 333.432 2.652 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347354035 475258702 /nfs/dbraw/zinc/25/87/02/475258702.db2.gz HZKWQGPTNQFGFK-IUYQLWOBSA-N 1 0 334.416 2.983 20 5 EFBDRO COc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354566219 475259307 /nfs/dbraw/zinc/25/93/07/475259307.db2.gz LLQCALJGIUYRPB-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000361202553 475265447 /nfs/dbraw/zinc/26/54/47/475265447.db2.gz QKDVYFVQTZPUCC-DLBZAZTESA-N 1 0 347.459 2.964 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000347367815 475271626 /nfs/dbraw/zinc/27/16/26/475271626.db2.gz MSSFVIMAYXHZCY-PIJNTSGSSA-N 1 0 329.400 2.600 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361212234 475274666 /nfs/dbraw/zinc/27/46/66/475274666.db2.gz SZUUZQWIUNGFJS-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352417612 475274850 /nfs/dbraw/zinc/27/48/50/475274850.db2.gz RJNHTAHBNZCMKX-INIZCTEOSA-N 1 0 341.415 2.678 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339529947 475277348 /nfs/dbraw/zinc/27/73/48/475277348.db2.gz FDNGKSCDXZDXJK-VGZDNEPHSA-N 1 0 325.368 2.814 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000341783005 475299612 /nfs/dbraw/zinc/29/96/12/475299612.db2.gz QHQLCSMCZQEXIJ-UHFFFAOYSA-N 1 0 346.362 2.673 20 5 EFBDRO C[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000347403406 475300798 /nfs/dbraw/zinc/30/07/98/475300798.db2.gz UUPIVOTWTSNXDI-UHFFFAOYSA-N 1 0 337.383 2.504 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000361249210 475301871 /nfs/dbraw/zinc/30/18/71/475301871.db2.gz FPXNOJWAHSTWHW-AWEZNQCLSA-N 1 0 343.358 2.937 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347409127 475304719 /nfs/dbraw/zinc/30/47/19/475304719.db2.gz MVVAYQPVCCDRIX-CYBMUJFWSA-N 1 0 329.404 2.636 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000296421809 475307834 /nfs/dbraw/zinc/30/78/34/475307834.db2.gz XZTRWWSUIXYQOL-DLBZAZTESA-N 1 0 332.400 2.519 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000354662539 475324496 /nfs/dbraw/zinc/32/44/96/475324496.db2.gz WLGCZGVCKXDWDZ-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO Cc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000296491166 475339847 /nfs/dbraw/zinc/33/98/47/475339847.db2.gz LAEDQMOEDIKCAI-UHFFFAOYSA-N 1 0 347.806 2.669 20 5 EFBDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352487196 475340772 /nfs/dbraw/zinc/34/07/72/475340772.db2.gz BADHBIJJSLEYMB-GJZGRUSLSA-N 1 0 339.461 2.845 20 5 EFBDRO Cc1c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000331634508 475358297 /nfs/dbraw/zinc/35/82/97/475358297.db2.gz QTLKWOYVCSBUSF-QGZVFWFLSA-N 1 0 331.416 2.926 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000348033171 475370703 /nfs/dbraw/zinc/37/07/03/475370703.db2.gz YJKNIXAGOLYUEP-LBPRGKRZSA-N 1 0 325.384 2.684 20 5 EFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC000339644379 475370982 /nfs/dbraw/zinc/37/09/82/475370982.db2.gz MRQXMQWOGDUPAD-UXLLHSPISA-N 1 0 338.452 2.833 20 5 EFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H](C)C1 ZINC000339644381 475371138 /nfs/dbraw/zinc/37/11/38/475371138.db2.gz MRQXMQWOGDUPAD-ZOBUZTSGSA-N 1 0 338.452 2.833 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296590055 475385493 /nfs/dbraw/zinc/38/54/93/475385493.db2.gz WZBMFWCTCNKYEH-MBNYWOFBSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358094057 475394556 /nfs/dbraw/zinc/39/45/56/475394556.db2.gz MVYTYFPOESNGMY-NEPJUHHUSA-N 1 0 337.395 2.610 20 5 EFBDRO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543419 475397176 /nfs/dbraw/zinc/39/71/76/475397176.db2.gz FEUJEFCCLSDXQR-GOSISDBHSA-N 1 0 341.411 2.899 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543297 475397830 /nfs/dbraw/zinc/39/78/30/475397830.db2.gz COTZJBTUYIIKEV-QGZVFWFLSA-N 1 0 344.411 2.817 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000348116482 475402796 /nfs/dbraw/zinc/40/27/96/475402796.db2.gz JZWIFBNEQXWELS-ZIAGYGMSSA-N 1 0 349.431 2.986 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339678058 475403195 /nfs/dbraw/zinc/40/31/95/475403195.db2.gz PUOJAJRFICBPBW-CYBMUJFWSA-N 1 0 327.388 2.501 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358106991 475406319 /nfs/dbraw/zinc/40/63/19/475406319.db2.gz MBLFRGSCZDAWGE-ZDUSSCGKSA-N 1 0 336.436 2.823 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345750517 475417994 /nfs/dbraw/zinc/41/79/94/475417994.db2.gz CVMFPIDZZGLKPK-RDBSUJKOSA-N 1 0 334.420 2.780 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358123085 475418712 /nfs/dbraw/zinc/41/87/12/475418712.db2.gz MJTGEOBRYCZJMR-GFCCVEGCSA-N 1 0 337.395 2.564 20 5 EFBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296668172 475420783 /nfs/dbraw/zinc/42/07/83/475420783.db2.gz ZDNUQDGZIXPTER-GFCCVEGCSA-N 1 0 327.388 2.552 20 5 EFBDRO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348142381 475423508 /nfs/dbraw/zinc/42/35/08/475423508.db2.gz NFQYQJSFRZJAID-AAEUAGOBSA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345756436 475424065 /nfs/dbraw/zinc/42/40/65/475424065.db2.gz SLEWFQXVEVGIIG-IUODEOHRSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345756438 475425103 /nfs/dbraw/zinc/42/51/03/475425103.db2.gz SLEWFQXVEVGIIG-SWLSCSKDSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000348145952 475425397 /nfs/dbraw/zinc/42/53/97/475425397.db2.gz MKSWCRNCZZCGAH-AAEUAGOBSA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[N@@H+]1C ZINC000345763172 475429414 /nfs/dbraw/zinc/42/94/14/475429414.db2.gz XJBLDGLVTDSOAY-CXAGYDPISA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[N@@H+]1C ZINC000345763174 475429509 /nfs/dbraw/zinc/42/95/09/475429509.db2.gz XJBLDGLVTDSOAY-GUYCJALGSA-N 1 0 346.431 2.752 20 5 EFBDRO CC1(C)[C@H](O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361419694 475432944 /nfs/dbraw/zinc/43/29/44/475432944.db2.gz GNYPQZMVCFHSBE-OAHLLOKOSA-N 1 0 331.372 2.638 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000331871475 475440309 /nfs/dbraw/zinc/44/03/09/475440309.db2.gz OQYTXABQVVSSIV-FVQBIDKESA-N 1 0 346.431 2.624 20 5 EFBDRO CCC(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000348179244 475459679 /nfs/dbraw/zinc/45/96/79/475459679.db2.gz NADWJDINRFBMDZ-MRXNPFEDSA-N 1 0 336.436 2.847 20 5 EFBDRO CC(C)N(C(=O)[C@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620875 475464404 /nfs/dbraw/zinc/46/44/04/475464404.db2.gz JDVBECDSECSGQN-AWEZNQCLSA-N 1 0 349.431 2.823 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296771394 475468879 /nfs/dbraw/zinc/46/88/79/475468879.db2.gz LKPZQNYBBNVOHF-YGRLFVJLSA-N 1 0 325.796 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1 ZINC000339756204 475473570 /nfs/dbraw/zinc/47/35/70/475473570.db2.gz CHAFWLOMKVHILM-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC(C)(C)C1 ZINC000361471166 475476760 /nfs/dbraw/zinc/47/67/60/475476760.db2.gz XPUJVXXSBGGLBC-NSHDSACASA-N 1 0 349.387 2.773 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339768247 475484401 /nfs/dbraw/zinc/48/44/01/475484401.db2.gz VDIWVHBHXFZFIX-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1noc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000345825682 475486053 /nfs/dbraw/zinc/48/60/53/475486053.db2.gz YXIPTYVMKQSCFB-MRXNPFEDSA-N 1 0 346.387 2.586 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000345828290 475488138 /nfs/dbraw/zinc/48/81/38/475488138.db2.gz IYIWRSIVVMEIRC-UKRRQHHQSA-N 1 0 343.383 2.859 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000337999755 475494645 /nfs/dbraw/zinc/49/46/45/475494645.db2.gz LDKKEASVESTYGB-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@@H]1O ZINC000352660277 475502836 /nfs/dbraw/zinc/50/28/36/475502836.db2.gz RKWUWAQBOCXWIM-CABCVRRESA-N 1 0 331.372 2.638 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000296861381 475510047 /nfs/dbraw/zinc/51/00/47/475510047.db2.gz DHXKWBJHGBLPPT-ZBFHGGJFSA-N 1 0 343.358 2.691 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000296861373 475510565 /nfs/dbraw/zinc/51/05/65/475510565.db2.gz DHXKWBJHGBLPPT-HOCLYGCPSA-N 1 0 343.358 2.691 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332126147 475521409 /nfs/dbraw/zinc/52/14/09/475521409.db2.gz CYRBDGCWFGGMSD-MJBXVCDLSA-N 1 0 332.404 2.803 20 5 EFBDRO COc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000338036084 475530861 /nfs/dbraw/zinc/53/08/61/475530861.db2.gz PWROYSYSWNAFJE-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296923607 475536327 /nfs/dbraw/zinc/53/63/27/475536327.db2.gz WSXQSWUXTLECCK-KRWDZBQOSA-N 1 0 335.404 2.590 20 5 EFBDRO CCOc1cccc(N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000358263044 475539492 /nfs/dbraw/zinc/53/94/92/475539492.db2.gz ZSDSWTRFJKJNMW-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)cs1 ZINC000358264201 475541894 /nfs/dbraw/zinc/54/18/94/475541894.db2.gz HYYIRIYLANEPCP-UHFFFAOYSA-N 1 0 345.222 2.747 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000332184052 475546981 /nfs/dbraw/zinc/54/69/81/475546981.db2.gz ATXJKJVFTFAMPI-ZBFHGGJFSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000361572238 475559224 /nfs/dbraw/zinc/55/92/24/475559224.db2.gz RGJVKDJNFZZWFL-UHFFFAOYSA-N 1 0 347.371 2.527 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000332208224 475559576 /nfs/dbraw/zinc/55/95/76/475559576.db2.gz JDBQWZBDNQMDNQ-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000358290298 475563950 /nfs/dbraw/zinc/56/39/50/475563950.db2.gz QVHGMZKPDDZGEK-ZIAGYGMSSA-N 1 0 337.445 2.676 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000354968423 475566981 /nfs/dbraw/zinc/56/69/81/475566981.db2.gz AIGXEPQBBPYCTB-RVSPLBMKSA-N 1 0 338.404 2.838 20 5 EFBDRO Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296996285 475568828 /nfs/dbraw/zinc/56/88/28/475568828.db2.gz FRGZECGRODPHIN-INIZCTEOSA-N 1 0 341.415 2.652 20 5 EFBDRO Cc1c(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000358307797 475577480 /nfs/dbraw/zinc/57/74/80/475577480.db2.gz IDWHDXRRMCSIDU-CYBMUJFWSA-N 1 0 348.424 2.855 20 5 EFBDRO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000332258414 475577496 /nfs/dbraw/zinc/57/74/96/475577496.db2.gz ZZQDZDRCTWRTHQ-STQMWFEESA-N 1 0 338.429 2.802 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306598 475595264 /nfs/dbraw/zinc/59/52/64/475595264.db2.gz GWJPHCDGNOYKKM-XJKSGUPXSA-N 1 0 349.431 2.766 20 5 EFBDRO CC(C)c1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332320512 475599352 /nfs/dbraw/zinc/59/93/52/475599352.db2.gz RFLFLQZZCZOJGR-QZTJIDSGSA-N 1 0 333.432 2.623 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000342442913 475602196 /nfs/dbraw/zinc/60/21/96/475602196.db2.gz PNEABLUVBTUABA-RVUNZQGFSA-N 1 0 343.427 2.845 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332345597 475608541 /nfs/dbraw/zinc/60/85/41/475608541.db2.gz YEUIXQBCKHEFGX-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297119810 475618894 /nfs/dbraw/zinc/61/88/94/475618894.db2.gz YQXFCDHKHFQOGQ-CYBMUJFWSA-N 1 0 344.415 2.561 20 5 EFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352789289 475627921 /nfs/dbraw/zinc/62/79/21/475627921.db2.gz BQUVZMPWGYCBCK-PELKAZGASA-N 1 0 329.809 2.528 20 5 EFBDRO CCOC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797340 475633913 /nfs/dbraw/zinc/63/39/13/475633913.db2.gz QBQFLCFKZNEPRU-ZWKOTPCHSA-N 1 0 330.384 2.671 20 5 EFBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352803192 475639831 /nfs/dbraw/zinc/63/98/31/475639831.db2.gz XXMXRRRQTVLQGD-KWQFWETISA-N 1 0 329.809 2.528 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490478 475652141 /nfs/dbraw/zinc/65/21/41/475652141.db2.gz ONZGLPCBJWADQC-DZGCQCFKSA-N 1 0 349.456 2.772 20 5 EFBDRO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000332524395 475658851 /nfs/dbraw/zinc/65/88/51/475658851.db2.gz RBMSBONXKLFTSK-GXTWGEPZSA-N 1 0 337.395 2.801 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342954405 475661326 /nfs/dbraw/zinc/66/13/26/475661326.db2.gz BSKQZGCOKSBVTR-IUODEOHRSA-N 1 0 342.399 2.632 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596730 475680915 /nfs/dbraw/zinc/68/09/15/475680915.db2.gz MCABOYQHCNQTKP-PBHICJAKSA-N 1 0 345.443 2.958 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631104 475693597 /nfs/dbraw/zinc/69/35/97/475693597.db2.gz UWATUAMXEHCHDD-YDHLFZDLSA-N 1 0 349.406 2.923 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccco1 ZINC000346610408 475697765 /nfs/dbraw/zinc/69/77/65/475697765.db2.gz YCJQHBHRYNLYPS-DOMZBBRYSA-N 1 0 347.371 2.618 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000353125429 475700627 /nfs/dbraw/zinc/70/06/27/475700627.db2.gz LCFOPABOALTNMR-CQSZACIVSA-N 1 0 337.420 2.576 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353147431 475719344 /nfs/dbraw/zinc/71/93/44/475719344.db2.gz YQXSVXLKEORFMY-WLTZEOLESA-N 1 0 331.416 2.891 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000348519889 475720116 /nfs/dbraw/zinc/72/01/16/475720116.db2.gz GKRZOKMHIGFUJD-CHWSQXEVSA-N 1 0 343.330 2.673 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340055313 475720473 /nfs/dbraw/zinc/72/04/73/475720473.db2.gz VLYYXQRZYDRFOK-OAHLLOKOSA-N 1 0 345.443 2.959 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348521498 475721389 /nfs/dbraw/zinc/72/13/89/475721389.db2.gz QIIXKFLQXCINPG-GAFUQQFSSA-N 1 0 343.330 2.672 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000361757121 475725514 /nfs/dbraw/zinc/72/55/14/475725514.db2.gz WSPAWYBXOZKROD-RHSMWYFYSA-N 1 0 348.447 2.652 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000348524263 475725833 /nfs/dbraw/zinc/72/58/33/475725833.db2.gz CAIOZTPDSIQOJJ-UHFFFAOYSA-N 1 0 343.383 2.912 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000358499787 475727991 /nfs/dbraw/zinc/72/79/91/475727991.db2.gz UAYSVNYTWBBRMR-QWHCGFSZSA-N 1 0 349.431 2.905 20 5 EFBDRO CCC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346645223 475728717 /nfs/dbraw/zinc/72/87/17/475728717.db2.gz BLNCHIVEDLVPCK-CQSZACIVSA-N 1 0 325.384 2.671 20 5 EFBDRO C[N@H+](CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000355194886 475734585 /nfs/dbraw/zinc/73/45/85/475734585.db2.gz WNYKXFHIMJPWSV-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3OC(F)F)nc2c1 ZINC000348540235 475739866 /nfs/dbraw/zinc/73/98/66/475739866.db2.gz UYPDZYIIVKNBCV-CMPLNLGQSA-N 1 0 326.303 2.721 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000338304513 475764977 /nfs/dbraw/zinc/76/49/77/475764977.db2.gz OYFONNBVPLSBNS-HUUCEWRRSA-N 1 0 348.447 2.699 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000297471095 475771070 /nfs/dbraw/zinc/77/10/70/475771070.db2.gz YQZBBKCNQHOVNC-JTQLQIEISA-N 1 0 343.836 2.538 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297491229 475780195 /nfs/dbraw/zinc/78/01/95/475780195.db2.gz FMKIKHYEMBQGEU-JLJPHGGASA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544075 475801045 /nfs/dbraw/zinc/80/10/45/475801045.db2.gz JCZOLLYUXZDMGR-HEHGZKQESA-N 1 0 334.420 2.637 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000361860506 475816955 /nfs/dbraw/zinc/81/69/55/475816955.db2.gz MVARVWIOIDTFSL-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338359522 475824436 /nfs/dbraw/zinc/82/44/36/475824436.db2.gz OBCBCDJETSHBIF-STQMWFEESA-N 1 0 345.403 2.984 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338359518 475824536 /nfs/dbraw/zinc/82/45/36/475824536.db2.gz OBCBCDJETSHBIF-OLZOCXBDSA-N 1 0 345.403 2.984 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000355334019 475837832 /nfs/dbraw/zinc/83/78/32/475837832.db2.gz KQYOFYLAPJXTKH-UHFFFAOYSA-N 1 0 327.812 2.908 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297655604 475846333 /nfs/dbraw/zinc/84/63/33/475846333.db2.gz ODKZXXQELWQTQW-AWEZNQCLSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CO2 ZINC000297725620 475867603 /nfs/dbraw/zinc/86/76/03/475867603.db2.gz NJPXOUPPAOBKJA-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000338420168 475886310 /nfs/dbraw/zinc/88/63/10/475886310.db2.gz LBBIKJCKJYTJDF-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000338425617 475893716 /nfs/dbraw/zinc/89/37/16/475893716.db2.gz NZJABDUZUBSXMF-GFCCVEGCSA-N 1 0 325.434 2.532 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000361954858 475895384 /nfs/dbraw/zinc/89/53/84/475895384.db2.gz HUGBUIYHLPWURU-HNNXBMFYSA-N 1 0 347.415 2.590 20 5 EFBDRO Cn1c(=O)oc2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000353359992 475898168 /nfs/dbraw/zinc/89/81/68/475898168.db2.gz DVHQDVUGOJPWTE-UHFFFAOYSA-N 1 0 341.367 2.714 20 5 EFBDRO COc1cc(C[NH2+]CCc2nc(C)oc2C)c([N+](=O)[O-])cc1OC ZINC000346838263 475900366 /nfs/dbraw/zinc/90/03/66/475900366.db2.gz YLMCECLSUVKVKG-UHFFFAOYSA-N 1 0 335.360 2.549 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343265725 475905445 /nfs/dbraw/zinc/90/54/45/475905445.db2.gz GTXODYKDPDUIMD-GZBFAFLISA-N 1 0 349.456 2.818 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340316132 475940168 /nfs/dbraw/zinc/94/01/68/475940168.db2.gz YMSMTBLCXQTBCA-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000358803575 475953087 /nfs/dbraw/zinc/95/30/87/475953087.db2.gz QUQXMWVRCKERJA-MRXNPFEDSA-N 1 0 325.368 2.511 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000340332846 475955057 /nfs/dbraw/zinc/95/50/57/475955057.db2.gz HELFCXKQPSDEGE-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000362060938 475970550 /nfs/dbraw/zinc/97/05/50/475970550.db2.gz QTKCYQILCRTSLQ-OAHLLOKOSA-N 1 0 335.379 2.728 20 5 EFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000358829703 475971931 /nfs/dbraw/zinc/97/19/31/475971931.db2.gz RWUBIFAJTWVTRM-IAGOWNOFSA-N 1 0 335.473 2.915 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353456392 475984827 /nfs/dbraw/zinc/98/48/27/475984827.db2.gz VVHDRVREDBCHQU-AWEZNQCLSA-N 1 0 343.431 2.521 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000338535920 475991777 /nfs/dbraw/zinc/99/17/77/475991777.db2.gz LAPXWGRVVQORCS-ZIAGYGMSSA-N 1 0 349.431 2.986 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346968626 475998533 /nfs/dbraw/zinc/99/85/33/475998533.db2.gz LGFGDRDQFBZKIL-CVEARBPZSA-N 1 0 343.383 2.567 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000343378470 476003268 /nfs/dbraw/zinc/00/32/68/476003268.db2.gz AGLRSICVRBWHKW-CQSZACIVSA-N 1 0 335.404 2.637 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343391332 476013677 /nfs/dbraw/zinc/01/36/77/476013677.db2.gz UHUOZLHVRUKNFO-BLLLJJGKSA-N 1 0 335.404 2.717 20 5 EFBDRO CCn1cc(C[N@H+](CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000355536060 476014971 /nfs/dbraw/zinc/01/49/71/476014971.db2.gz UKOWMYPQOHMGQD-DHDCSXOGSA-N 1 0 344.415 2.709 20 5 EFBDRO Cn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343391621 476015334 /nfs/dbraw/zinc/01/53/34/476015334.db2.gz DYLDPXZICGRSEN-KGLIPLIRSA-N 1 0 336.779 2.602 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000338578957 476023817 /nfs/dbraw/zinc/02/38/17/476023817.db2.gz FADCQHBOFRUIEO-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353502464 476024769 /nfs/dbraw/zinc/02/47/69/476024769.db2.gz LLRIZPNIIJALQS-GFCCVEGCSA-N 1 0 341.367 2.819 20 5 EFBDRO CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343406321 476034849 /nfs/dbraw/zinc/03/48/49/476034849.db2.gz UVIZLXMZRXUXPZ-WBVHZDCISA-N 1 0 330.388 2.992 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343409026 476039388 /nfs/dbraw/zinc/03/93/88/476039388.db2.gz ZSNHXVJGPMBQHY-OZLAXVTRSA-N 1 0 342.399 2.944 20 5 EFBDRO CCCC[N@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353519005 476040730 /nfs/dbraw/zinc/04/07/30/476040730.db2.gz LTRHOJUPUUUGNC-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362165504 476044547 /nfs/dbraw/zinc/04/45/47/476044547.db2.gz UWFJDXGPTMYLOS-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000343425356 476053256 /nfs/dbraw/zinc/05/32/56/476053256.db2.gz YQCZJEDZQSTKNN-RNCFNFMXSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000343431020 476058692 /nfs/dbraw/zinc/05/86/92/476058692.db2.gz QZKHLDYKVKPRPB-HNNXBMFYSA-N 1 0 346.387 2.940 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000355754935 476058813 /nfs/dbraw/zinc/05/88/13/476058813.db2.gz ILZYSGPRIRJNIN-GFCCVEGCSA-N 1 0 336.388 2.767 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343438778 476065639 /nfs/dbraw/zinc/06/56/39/476065639.db2.gz LOPVKZNEJNOOJE-RISCZKNCSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC[N@@H+]1C ZINC000343451712 476073535 /nfs/dbraw/zinc/07/35/35/476073535.db2.gz GDIJWKNILMVXEB-HIFRSBDPSA-N 1 0 326.400 2.973 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000298383638 476075748 /nfs/dbraw/zinc/07/57/48/476075748.db2.gz CQIQYROMZXSMJB-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000338679731 476109267 /nfs/dbraw/zinc/10/92/67/476109267.db2.gz KZZYEEUAZVNVIO-HNNXBMFYSA-N 1 0 337.420 2.541 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000343758531 476110260 /nfs/dbraw/zinc/11/02/60/476110260.db2.gz QIXFTHPJXMXBQO-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356596817 476113496 /nfs/dbraw/zinc/11/34/96/476113496.db2.gz LTSWVULFBDLBEI-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO Cc1cc(NCCOCC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338689195 476114157 /nfs/dbraw/zinc/11/41/57/476114157.db2.gz NYBGFYVSCPXEKL-UHFFFAOYSA-N 1 0 335.326 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(F)c1 ZINC000350311729 476129788 /nfs/dbraw/zinc/12/97/88/476129788.db2.gz KCRIGXBFNJGKDO-DOMZBBRYSA-N 1 0 326.393 2.878 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000338717648 476130729 /nfs/dbraw/zinc/13/07/29/476130729.db2.gz YZYKPOFMBRAXOF-UHFFFAOYSA-N 1 0 337.383 2.989 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000343972335 476140896 /nfs/dbraw/zinc/14/08/96/476140896.db2.gz DSPBEVMHIFTHEY-FRJURHEUSA-N 1 0 331.416 2.892 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635484 476142614 /nfs/dbraw/zinc/14/26/14/476142614.db2.gz ZPLQQKYSEZVJJY-UAGQMJEPSA-N 1 0 344.415 2.822 20 5 EFBDRO Cc1ccc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353646090 476153247 /nfs/dbraw/zinc/15/32/47/476153247.db2.gz BSAFVMARJYASPQ-MRXNPFEDSA-N 1 0 341.415 2.812 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NCCCCC[NH+]3CCCC3)c21 ZINC000338758020 476161310 /nfs/dbraw/zinc/16/13/10/476161310.db2.gz RWKXNFDSMGXEPQ-UHFFFAOYSA-N 1 0 329.404 2.638 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338784461 476183231 /nfs/dbraw/zinc/18/32/31/476183231.db2.gz KAYRGOUHUSWMFL-ZIAGYGMSSA-N 1 0 341.415 2.889 20 5 EFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362359428 476194314 /nfs/dbraw/zinc/19/43/14/476194314.db2.gz NJVJPQHLRPGVFJ-GFCCVEGCSA-N 1 0 330.363 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000302631311 476198772 /nfs/dbraw/zinc/19/87/72/476198772.db2.gz GJJVBFMKHRDFTA-QGPMSJSTSA-N 1 0 334.416 2.989 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347257590 476210505 /nfs/dbraw/zinc/21/05/05/476210505.db2.gz JOZOZZUQGLQLRB-CQSZACIVSA-N 1 0 338.383 2.976 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000340697209 476213195 /nfs/dbraw/zinc/21/31/95/476213195.db2.gz QBWREZPIOLSPDC-VHSXEESVSA-N 1 0 345.321 2.826 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000362386731 476213504 /nfs/dbraw/zinc/21/35/04/476213504.db2.gz VVYXXBMQFLPUPB-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CSc1cccc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000362413240 476228918 /nfs/dbraw/zinc/22/89/18/476228918.db2.gz XHRAGEGSQAZHJD-UHFFFAOYSA-N 1 0 335.429 2.699 20 5 EFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000336962301 476231827 /nfs/dbraw/zinc/23/18/27/476231827.db2.gz CYVPDPTVRSVEPC-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000347288289 476233230 /nfs/dbraw/zinc/23/32/30/476233230.db2.gz QNKMADGQACLUAS-SNVBAGLBSA-N 1 0 326.372 2.832 20 5 EFBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000347297915 476240535 /nfs/dbraw/zinc/24/05/35/476240535.db2.gz IDJCJRIANXJUGB-NEPJUHHUSA-N 1 0 338.383 2.976 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347298815 476241389 /nfs/dbraw/zinc/24/13/89/476241389.db2.gz IOFLOTNKJYHHNZ-UHFFFAOYSA-N 1 0 326.372 2.930 20 5 EFBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000347304307 476244951 /nfs/dbraw/zinc/24/49/51/476244951.db2.gz NSDUEDKEQAPSQV-LBPRGKRZSA-N 1 0 338.383 2.977 20 5 EFBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303733082 476247173 /nfs/dbraw/zinc/24/71/73/476247173.db2.gz ZXDOBFSXQGHOMC-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO)o2)c(Br)c1 ZINC000304225909 476270717 /nfs/dbraw/zinc/27/07/17/476270717.db2.gz LAEFCQITBAORBY-UHFFFAOYSA-N 1 0 341.161 2.699 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000357245728 476303480 /nfs/dbraw/zinc/30/34/80/476303480.db2.gz JISSCINDLQJYBK-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cnn3ccccc23)n1 ZINC000353864434 476305387 /nfs/dbraw/zinc/30/53/87/476305387.db2.gz IZMZKMVHDGKHIK-GDBMZVCRSA-N 1 0 340.387 2.713 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000360580244 476308355 /nfs/dbraw/zinc/30/83/55/476308355.db2.gz FQROBEIBUQOSBX-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO COC(=O)[C@H]1CC12CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000353898720 476317273 /nfs/dbraw/zinc/31/72/73/476317273.db2.gz KRTPQYKWOCBYRA-ZDTYVGOBSA-N 1 0 330.384 2.883 20 5 EFBDRO COc1ccc(CNC(=O)c2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000362586466 476319039 /nfs/dbraw/zinc/31/90/39/476319039.db2.gz HGMLMVDTGLNPRO-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353913434 476323219 /nfs/dbraw/zinc/32/32/19/476323219.db2.gz MWWVZDZTQUYHQJ-KGLIPLIRSA-N 1 0 332.404 2.906 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000353938332 476331128 /nfs/dbraw/zinc/33/11/28/476331128.db2.gz UACCEWIXAZJATB-MRXNPFEDSA-N 1 0 334.420 2.961 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000353938331 476331171 /nfs/dbraw/zinc/33/11/71/476331171.db2.gz UACCEWIXAZJATB-INIZCTEOSA-N 1 0 334.420 2.961 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000357336422 476336372 /nfs/dbraw/zinc/33/63/72/476336372.db2.gz MDLJDAUGRURDMK-MRXNPFEDSA-N 1 0 337.383 2.675 20 5 EFBDRO Cc1c(-c2noc(CN(C)[C@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000351142681 476346538 /nfs/dbraw/zinc/34/65/38/476346538.db2.gz DZWJYOGHPLCPGH-NSHDSACASA-N 1 0 334.401 2.891 20 5 EFBDRO Nc1ncnc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC000362673993 476347703 /nfs/dbraw/zinc/34/77/03/476347703.db2.gz ZAMHVCYDNPLXQG-UHFFFAOYSA-N 1 0 347.684 2.673 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000360800575 476395929 /nfs/dbraw/zinc/39/59/29/476395929.db2.gz OFJKIOZRJCQXGS-YSVLISHTSA-N 1 0 333.432 2.762 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000373468262 476405436 /nfs/dbraw/zinc/40/54/36/476405436.db2.gz JIIHHGLPDNXRSC-QGZVFWFLSA-N 1 0 336.388 2.852 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000354083311 476413071 /nfs/dbraw/zinc/41/30/71/476413071.db2.gz RGEASMABGXVHJD-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO CCOc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000362826905 476429204 /nfs/dbraw/zinc/42/92/04/476429204.db2.gz OZGZHFANBLHYER-HNNXBMFYSA-N 1 0 337.420 2.762 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000362829791 476430315 /nfs/dbraw/zinc/43/03/15/476430315.db2.gz YHSMGZWPQYGYPK-NWDGAFQWSA-N 1 0 337.445 2.871 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377534533 476439816 /nfs/dbraw/zinc/43/98/16/476439816.db2.gz UONNMBSOMDXKRI-OAHLLOKOSA-N 1 0 333.388 2.806 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362850380 476439826 /nfs/dbraw/zinc/43/98/26/476439826.db2.gz BAMMIEHMSLXKBA-XJKSGUPXSA-N 1 0 334.420 2.637 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000357558360 476454196 /nfs/dbraw/zinc/45/41/96/476454196.db2.gz LCNLSLDHZLPARW-LBPRGKRZSA-N 1 0 334.420 2.628 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362908258 476474091 /nfs/dbraw/zinc/47/40/91/476474091.db2.gz XWNCBOZZRAQLML-CYBMUJFWSA-N 1 0 335.429 2.627 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000351509284 476475246 /nfs/dbraw/zinc/47/52/46/476475246.db2.gz LDZMHXRQDQGRLI-UWVGGRQHSA-N 1 0 328.210 2.886 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3nc4ccc(F)cc4o3)CC2)n1 ZINC000369681912 476476277 /nfs/dbraw/zinc/47/62/77/476476277.db2.gz AHSHUXGZEZBLKN-UHFFFAOYSA-N 1 0 345.334 2.909 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000363668742 476487299 /nfs/dbraw/zinc/48/72/99/476487299.db2.gz ABZDZZZDOJITIR-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000360944823 476494371 /nfs/dbraw/zinc/49/43/71/476494371.db2.gz PENLEPBXHMMYCX-RYRKJORJSA-N 1 0 345.443 2.716 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000357631508 476501504 /nfs/dbraw/zinc/50/15/04/476501504.db2.gz YWKRIVONRVKNFD-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000374783525 476528032 /nfs/dbraw/zinc/52/80/32/476528032.db2.gz QYTUAEXRZYVBLS-AWEZNQCLSA-N 1 0 343.387 2.656 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363012122 476529047 /nfs/dbraw/zinc/52/90/47/476529047.db2.gz ZQMFMBAWJSHUEF-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352183472 476530674 /nfs/dbraw/zinc/53/06/74/476530674.db2.gz DPVBTJKHCVYLDF-UHFFFAOYSA-N 1 0 329.397 2.747 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000374816438 476541172 /nfs/dbraw/zinc/54/11/72/476541172.db2.gz SABQTEFYQLVFLV-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000361016495 476546148 /nfs/dbraw/zinc/54/61/48/476546148.db2.gz ZIYAMDSXHNAYKH-IAGOWNOFSA-N 1 0 349.456 2.813 20 5 EFBDRO CSc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000377748823 476559925 /nfs/dbraw/zinc/55/99/25/476559925.db2.gz UKLLLWNQOYWRHT-AWEZNQCLSA-N 1 0 349.456 2.778 20 5 EFBDRO O=[N+]([O-])c1ccccc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000361043852 476562794 /nfs/dbraw/zinc/56/27/94/476562794.db2.gz IOYIMPZPVUYWGM-QGZVFWFLSA-N 1 0 327.384 2.774 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363108119 476563098 /nfs/dbraw/zinc/56/30/98/476563098.db2.gz RFUTXXPEJMRHRB-HUUCEWRRSA-N 1 0 344.415 2.526 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363108784 476563144 /nfs/dbraw/zinc/56/31/44/476563144.db2.gz XXWNMRICUFFDRA-LSDHHAIUSA-N 1 0 346.431 2.772 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363108120 476563384 /nfs/dbraw/zinc/56/33/84/476563384.db2.gz RFUTXXPEJMRHRB-LSDHHAIUSA-N 1 0 344.415 2.526 20 5 EFBDRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000357735606 476567151 /nfs/dbraw/zinc/56/71/51/476567151.db2.gz YLXOMFAKZVJPOU-KBPBESRZSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc(OCCN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000363116444 476567494 /nfs/dbraw/zinc/56/74/94/476567494.db2.gz JXSFVMHJVAOSFP-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361066824 476579960 /nfs/dbraw/zinc/57/99/60/476579960.db2.gz PVAHRXKBRAIUJV-ZFWWWQNUSA-N 1 0 341.415 2.677 20 5 EFBDRO O=[N+]([O-])c1ccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c(F)c1 ZINC000361074111 476583634 /nfs/dbraw/zinc/58/36/34/476583634.db2.gz ARFPUERFXJLMOD-KRWDZBQOSA-N 1 0 345.374 2.913 20 5 EFBDRO O=[N+]([O-])c1cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cs1 ZINC000361074545 476584057 /nfs/dbraw/zinc/58/40/57/476584057.db2.gz CFRWLYYVUMQMPH-HNNXBMFYSA-N 1 0 333.413 2.835 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374916798 476592544 /nfs/dbraw/zinc/59/25/44/476592544.db2.gz PSVYAQXTUKIVEP-AEFFLSMTSA-N 1 0 346.475 2.676 20 5 EFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000361113566 476609597 /nfs/dbraw/zinc/60/95/97/476609597.db2.gz ZNZRZJSLUOIBOC-DZGCQCFKSA-N 1 0 346.431 2.725 20 5 EFBDRO CNc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361118705 476613271 /nfs/dbraw/zinc/61/32/71/476613271.db2.gz WPRHVCVUHVVLIB-MRXNPFEDSA-N 1 0 342.399 2.669 20 5 EFBDRO C[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000374968014 476615455 /nfs/dbraw/zinc/61/54/55/476615455.db2.gz GTADEHPFBMUTDD-CYBMUJFWSA-N 1 0 349.406 2.924 20 5 EFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000354379661 476623234 /nfs/dbraw/zinc/62/32/34/476623234.db2.gz BVXLRQXJTYRZHN-WBMJQRKESA-N 1 0 330.388 2.653 20 5 EFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000354383860 476625209 /nfs/dbraw/zinc/62/52/09/476625209.db2.gz GZUWLICUZJLWKQ-LRDDRELGSA-N 1 0 330.388 2.653 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC000361133646 476625912 /nfs/dbraw/zinc/62/59/12/476625912.db2.gz YSGADLHQAYQZIF-NSHDSACASA-N 1 0 335.335 2.867 20 5 EFBDRO CNc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000361140709 476631387 /nfs/dbraw/zinc/63/13/87/476631387.db2.gz GSWAIAKLJDYYTK-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354396723 476635479 /nfs/dbraw/zinc/63/54/79/476635479.db2.gz JQZBSIXFWVOSNI-GJZGRUSLSA-N 1 0 349.431 2.695 20 5 EFBDRO CN(C)c1ccccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000352345166 476651184 /nfs/dbraw/zinc/65/11/84/476651184.db2.gz JSFUUUFQURSQSR-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063047 476653144 /nfs/dbraw/zinc/65/31/44/476653144.db2.gz OEOINPQUVZCSMT-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632630 476655733 /nfs/dbraw/zinc/65/57/33/476655733.db2.gz SWKYKGKIFCYFGM-GFCCVEGCSA-N 1 0 341.371 2.849 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000352361799 476662678 /nfs/dbraw/zinc/66/26/78/476662678.db2.gz MKJWCSWEIORAQI-UHFFFAOYSA-N 1 0 345.346 2.656 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)COc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000357875673 476664736 /nfs/dbraw/zinc/66/47/36/476664736.db2.gz BIGXBRZBMPWGMM-RDTXWAMCSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[N@H+]1C ZINC000354460610 476674053 /nfs/dbraw/zinc/67/40/53/476674053.db2.gz ZTUHJMIUGWLGPM-PHIMTYICSA-N 1 0 329.347 2.721 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CCOCC2)c2c(c1)COCO2 ZINC000375128236 476683751 /nfs/dbraw/zinc/68/37/51/476683751.db2.gz SLAZRNXKRGSPMG-UHFFFAOYSA-N 1 0 334.372 2.510 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000429774104 476688188 /nfs/dbraw/zinc/68/81/88/476688188.db2.gz MLAKROQGMHLHLF-HIFRSBDPSA-N 1 0 349.431 2.715 20 5 EFBDRO CC1CC[NH+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429837663 476699695 /nfs/dbraw/zinc/69/96/95/476699695.db2.gz MAMMHBFLPKFXQQ-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429844522 476702322 /nfs/dbraw/zinc/70/23/22/476702322.db2.gz VRIYMWWHWYBDAC-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000429922793 476716423 /nfs/dbraw/zinc/71/64/23/476716423.db2.gz WQVNWGUUUFQORT-KGLIPLIRSA-N 1 0 335.404 2.517 20 5 EFBDRO CC(C)(C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429939211 476719997 /nfs/dbraw/zinc/71/99/97/476719997.db2.gz VNCAPDOTGZACPF-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO CCc1ccc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422625781 476722047 /nfs/dbraw/zinc/72/20/47/476722047.db2.gz HYOSPSSPVBKILI-HNNXBMFYSA-N 1 0 325.368 2.687 20 5 EFBDRO C[C@@H]1[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375243107 476734981 /nfs/dbraw/zinc/73/49/81/476734981.db2.gz ULORRTDZBKZCOE-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO C[NH2+][C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422760204 476764593 /nfs/dbraw/zinc/76/45/93/476764593.db2.gz GMQGWBQHKSJZTJ-LLVKDONJSA-N 1 0 343.836 2.551 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452012314 476774396 /nfs/dbraw/zinc/77/43/96/476774396.db2.gz LWDIMFAKZVCAFU-KGLIPLIRSA-N 1 0 334.420 2.700 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199039 476779526 /nfs/dbraw/zinc/77/95/26/476779526.db2.gz AVTYLFINGRKMKL-YOEHRIQHSA-N 1 0 336.388 2.815 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422805708 476784240 /nfs/dbraw/zinc/78/42/40/476784240.db2.gz HDVLHUNQELQURI-LBPRGKRZSA-N 1 0 337.445 2.826 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000370392397 476789092 /nfs/dbraw/zinc/78/90/92/476789092.db2.gz YPBMBWXJZCXTGO-TZMCWYRMSA-N 1 0 328.372 2.540 20 5 EFBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000422842254 476804559 /nfs/dbraw/zinc/80/45/59/476804559.db2.gz XTVPOAWSWRNXFV-UHFFFAOYSA-N 1 0 341.367 2.810 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000446035677 476811120 /nfs/dbraw/zinc/81/11/20/476811120.db2.gz FISZXNCQWTZWTC-NSHDSACASA-N 1 0 325.796 2.723 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422874656 476821763 /nfs/dbraw/zinc/82/17/63/476821763.db2.gz OBEMXLAIYIFKHI-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO Cc1c(CC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000422891268 476830700 /nfs/dbraw/zinc/83/07/00/476830700.db2.gz UZVBSNUWPPDOIW-CYBMUJFWSA-N 1 0 327.384 2.782 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000457047779 476845738 /nfs/dbraw/zinc/84/57/38/476845738.db2.gz IJGXXCMSOGAKLW-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457053147 476848275 /nfs/dbraw/zinc/84/82/75/476848275.db2.gz JXFCSUIGKAJATC-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000446274515 476853037 /nfs/dbraw/zinc/85/30/37/476853037.db2.gz GVVFQBJPOUAFGA-ZBFHGGJFSA-N 1 0 333.432 2.859 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457064163 476854405 /nfs/dbraw/zinc/85/44/05/476854405.db2.gz CFVPDBQASWJLKO-GFCCVEGCSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000452171699 476867636 /nfs/dbraw/zinc/86/76/36/476867636.db2.gz LFRPRRCJNSIIDO-CQSZACIVSA-N 1 0 345.443 2.815 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000457089286 476869702 /nfs/dbraw/zinc/86/97/02/476869702.db2.gz SYHJFAHHJRGNNH-HNNXBMFYSA-N 1 0 346.431 2.724 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457089206 476870258 /nfs/dbraw/zinc/87/02/58/476870258.db2.gz LCAGFMNLJPSUNN-CQSZACIVSA-N 1 0 333.432 2.814 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457093758 476872116 /nfs/dbraw/zinc/87/21/16/476872116.db2.gz OFNLEBRWKSAKBG-OAHLLOKOSA-N 1 0 344.415 2.560 20 5 EFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452183922 476874709 /nfs/dbraw/zinc/87/47/09/476874709.db2.gz PLJURJRGRAEACX-GUYCJALGSA-N 1 0 349.431 2.565 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000446440202 476875665 /nfs/dbraw/zinc/87/56/65/476875665.db2.gz CMVUQOKQXGWXQB-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628620 476885244 /nfs/dbraw/zinc/88/52/44/476885244.db2.gz OUILUFBGPIPSAB-HNNXBMFYSA-N 1 0 330.388 2.606 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430628622 476885478 /nfs/dbraw/zinc/88/54/78/476885478.db2.gz OUILUFBGPIPSAB-OAHLLOKOSA-N 1 0 330.388 2.606 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000457125263 476889427 /nfs/dbraw/zinc/88/94/27/476889427.db2.gz QJVFFEDHZRHXDJ-CYBMUJFWSA-N 1 0 330.388 2.631 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000423006832 476889633 /nfs/dbraw/zinc/88/96/33/476889633.db2.gz WOXNESVVFODLEX-HNNXBMFYSA-N 1 0 349.387 2.618 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955055 476900539 /nfs/dbraw/zinc/90/05/39/476900539.db2.gz TYRYJVWHJWEPCJ-SECBINFHSA-N 1 0 346.334 2.835 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404347090 476914060 /nfs/dbraw/zinc/91/40/60/476914060.db2.gz HJJQYXOVOBREDZ-YGRLFVJLSA-N 1 0 325.796 2.838 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000457188110 476917457 /nfs/dbraw/zinc/91/74/57/476917457.db2.gz RCGPJYDRKOQOTF-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000415416559 476921832 /nfs/dbraw/zinc/92/18/32/476921832.db2.gz KMXPIVOFFTUKKZ-KGLIPLIRSA-N 1 0 332.404 2.757 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000452340582 476923042 /nfs/dbraw/zinc/92/30/42/476923042.db2.gz CRGLOGOXMOOVTN-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000415424009 476923936 /nfs/dbraw/zinc/92/39/36/476923936.db2.gz ZYTYUAOCXLSGEC-AWEZNQCLSA-N 1 0 332.404 2.757 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457216715 476932074 /nfs/dbraw/zinc/93/20/74/476932074.db2.gz DNFCXWVROXRPPK-UHFFFAOYSA-N 1 0 345.852 2.797 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408099411 476939840 /nfs/dbraw/zinc/93/98/40/476939840.db2.gz LOMAVDYJVXTFSZ-HZSPNIEDSA-N 1 0 335.452 2.732 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000457252069 476944645 /nfs/dbraw/zinc/94/46/45/476944645.db2.gz WBPRGHRETPOODO-UHFFFAOYSA-N 1 0 337.423 2.751 20 5 EFBDRO CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH2+]CC1 ZINC000431100822 476978122 /nfs/dbraw/zinc/97/81/22/476978122.db2.gz NUWHUXWSHTZJAN-UHFFFAOYSA-N 1 0 345.403 2.609 20 5 EFBDRO CC[NH+](CC)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457382925 476997345 /nfs/dbraw/zinc/99/73/45/476997345.db2.gz DTTQRUGRJZXQHL-INIZCTEOSA-N 1 0 348.447 2.826 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000447537913 477007748 /nfs/dbraw/zinc/00/77/48/477007748.db2.gz ZJUHQFWEIROTJK-WCXIOVBPSA-N 1 0 349.479 2.985 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000375799279 477015853 /nfs/dbraw/zinc/01/58/53/477015853.db2.gz VIWJQBYNHDKIMA-UFXRLHEYSA-N 1 0 329.400 2.693 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423430953 477031892 /nfs/dbraw/zinc/03/18/92/477031892.db2.gz ACHPJPVTPLURCP-INIZCTEOSA-N 1 0 347.415 2.598 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000370924441 477040961 /nfs/dbraw/zinc/04/09/61/477040961.db2.gz RTCFWQCMYGVXSA-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000423468552 477041181 /nfs/dbraw/zinc/04/11/81/477041181.db2.gz BKHBMTSYXSMOOU-JKSUJKDBSA-N 1 0 329.404 2.955 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000375841707 477041230 /nfs/dbraw/zinc/04/12/30/477041230.db2.gz TYLHXTPMQNSDCD-BFYDXBDKSA-N 1 0 344.415 2.769 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000423489655 477045512 /nfs/dbraw/zinc/04/55/12/477045512.db2.gz WQZRTDQKDDVAOT-ZDUSSCGKSA-N 1 0 342.399 2.992 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423486754 477046582 /nfs/dbraw/zinc/04/65/82/477046582.db2.gz CDCOSRUIYHUHBU-UHFFFAOYSA-N 1 0 331.416 2.736 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423512188 477056724 /nfs/dbraw/zinc/05/67/24/477056724.db2.gz QSEAYYOGSNOPEX-CYBMUJFWSA-N 1 0 340.383 2.675 20 5 EFBDRO C[NH+](C)[C@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000416183903 477058954 /nfs/dbraw/zinc/05/89/54/477058954.db2.gz LWFMTNYYKTXXML-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534146 477066648 /nfs/dbraw/zinc/06/66/48/477066648.db2.gz VIVHPKFGUNNAIX-FHLIZLRMSA-N 1 0 325.412 2.871 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375903508 477072460 /nfs/dbraw/zinc/07/24/60/477072460.db2.gz SFAOZMTZHICJBD-IAQYHMDHSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000423614954 477087700 /nfs/dbraw/zinc/08/77/00/477087700.db2.gz QRJBSRXIOBWRAZ-NXEZZACHSA-N 1 0 343.836 2.549 20 5 EFBDRO CCNc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000411068712 477103513 /nfs/dbraw/zinc/10/35/13/477103513.db2.gz XUULXCMASFMFRB-AWEZNQCLSA-N 1 0 334.420 2.583 20 5 EFBDRO Cc1cc(OCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431834361 477103847 /nfs/dbraw/zinc/10/38/47/477103847.db2.gz RFCJERZFUANXLS-DZGCQCFKSA-N 1 0 349.431 2.519 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000431840133 477104982 /nfs/dbraw/zinc/10/49/82/477104982.db2.gz KHTPEEYBYZEAFB-CQSZACIVSA-N 1 0 349.431 2.520 20 5 EFBDRO O=C(N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C12CCC[NH+]1CCC2 ZINC000452855771 477109351 /nfs/dbraw/zinc/10/93/51/477109351.db2.gz PPOKXJUOVKWUAI-MRXNPFEDSA-N 1 0 343.427 2.929 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000447988936 477111889 /nfs/dbraw/zinc/11/18/89/477111889.db2.gz IRKICPODEHTAHM-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366654789 477118205 /nfs/dbraw/zinc/11/82/05/477118205.db2.gz MKAIVYKKRGHFPO-CABCVRRESA-N 1 0 347.415 2.590 20 5 EFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000423710774 477118438 /nfs/dbraw/zinc/11/84/38/477118438.db2.gz YJKAKGUYKRRGOR-UHFFFAOYSA-N 1 0 343.836 2.680 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308481 477118900 /nfs/dbraw/zinc/11/89/00/477118900.db2.gz RANLJMIUWSIDNA-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=C(C[C@H]1CCC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717709 477121010 /nfs/dbraw/zinc/12/10/10/477121010.db2.gz BAHMTFFUNYEXFY-AWEZNQCLSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOC[C@@H](C)C1 ZINC000371099895 477123405 /nfs/dbraw/zinc/12/34/05/477123405.db2.gz MRQPWJXEPFXGTM-QWRGUYRKSA-N 1 0 341.795 2.544 20 5 EFBDRO COc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000423723686 477124739 /nfs/dbraw/zinc/12/47/39/477124739.db2.gz LYULMDBMDCHMEB-FVGKDHOHSA-N 1 0 333.388 2.696 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732688 477125884 /nfs/dbraw/zinc/12/58/84/477125884.db2.gz ZOXABEIWJBNMNC-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000376017910 477133349 /nfs/dbraw/zinc/13/33/49/477133349.db2.gz GNDGNFLJBAKXKD-CMDGGOBGSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205022 477143903 /nfs/dbraw/zinc/14/39/03/477143903.db2.gz QAJHBMLSJBNYRR-YVEFUNNKSA-N 1 0 347.390 2.823 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411218924 477156132 /nfs/dbraw/zinc/15/61/32/477156132.db2.gz ANQNAWZOAYVUQV-AWEZNQCLSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cc(OCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000432112807 477160132 /nfs/dbraw/zinc/16/01/32/477160132.db2.gz NJOODHQFWYXJNM-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000366758747 477172975 /nfs/dbraw/zinc/17/29/75/477172975.db2.gz OMAPOKWDCJFFLH-CQSZACIVSA-N 1 0 330.388 2.717 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833289 477174206 /nfs/dbraw/zinc/17/42/06/477174206.db2.gz BHACXJZVFZKPRD-DOMZBBRYSA-N 1 0 325.796 2.772 20 5 EFBDRO CSc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000371226193 477186337 /nfs/dbraw/zinc/18/63/37/477186337.db2.gz ATSCYTYTNZUOIQ-AWEZNQCLSA-N 1 0 349.456 2.921 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432315019 477193791 /nfs/dbraw/zinc/19/37/91/477193791.db2.gz SIDFCTHTAQBYLV-LBPRGKRZSA-N 1 0 327.812 2.753 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCN2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266280 477205168 /nfs/dbraw/zinc/20/51/68/477205168.db2.gz OGDBEPMJYIWNLF-CRAIPNDOSA-N 1 0 347.459 2.754 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453374433 477216321 /nfs/dbraw/zinc/21/63/21/477216321.db2.gz ZIPOXGMQMZLSMI-DXCKQFNASA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453394868 477221772 /nfs/dbraw/zinc/22/17/72/477221772.db2.gz JGNTWSYBPIWRLA-DUVNUKRYSA-N 1 0 330.388 2.899 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000423942112 477226973 /nfs/dbraw/zinc/22/69/73/477226973.db2.gz PIYFZYFUFXYQKA-LBPRGKRZSA-N 1 0 345.321 2.861 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423975049 477240298 /nfs/dbraw/zinc/24/02/98/477240298.db2.gz BYFQMDIIXHRZJB-UHFFFAOYSA-N 1 0 346.412 2.700 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000371333730 477251172 /nfs/dbraw/zinc/25/11/72/477251172.db2.gz BLMYACGLPVOVDG-SJLPKXTDSA-N 1 0 344.415 2.725 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000371337964 477253063 /nfs/dbraw/zinc/25/30/63/477253063.db2.gz XNNGLSNCPRXWLW-GOSISDBHSA-N 1 0 346.475 2.504 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424000343 477254759 /nfs/dbraw/zinc/25/47/59/477254759.db2.gz BOXKYSHHGOUZMU-NXEZZACHSA-N 1 0 345.321 2.671 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000411514352 477262774 /nfs/dbraw/zinc/26/27/74/477262774.db2.gz WYDNBVDAFQGEJR-RRQGHBQHSA-N 1 0 331.416 2.546 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCCO1 ZINC000424029989 477264990 /nfs/dbraw/zinc/26/49/90/477264990.db2.gz YKLVYKBGEHSTBZ-OAHLLOKOSA-N 1 0 335.407 2.578 20 5 EFBDRO Cc1cccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424030119 477265017 /nfs/dbraw/zinc/26/50/17/477265017.db2.gz DZMIFYYILJKPAQ-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424052251 477274720 /nfs/dbraw/zinc/27/47/20/477274720.db2.gz MBKHDYDTUGZTSV-MXWKQRLJSA-N 1 0 325.796 2.694 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411604458 477290471 /nfs/dbraw/zinc/29/04/71/477290471.db2.gz NWEDQAKBLCGCNU-IHETXDGRSA-N 1 0 345.443 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371420128 477307709 /nfs/dbraw/zinc/30/77/09/477307709.db2.gz TYSVFPSTEFHHIP-AWEZNQCLSA-N 1 0 341.358 2.866 20 5 EFBDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168293 477314200 /nfs/dbraw/zinc/31/42/00/477314200.db2.gz MGIKHNCTDZULCR-DYVFJYSZSA-N 1 0 333.432 2.628 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000458205568 477318366 /nfs/dbraw/zinc/31/83/66/477318366.db2.gz ZNHDIWZCCQLTFN-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433228540 477319130 /nfs/dbraw/zinc/31/91/30/477319130.db2.gz BBIIYXMHAZECQQ-MAUKXSAKSA-N 1 0 345.443 2.770 20 5 EFBDRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000411694209 477331794 /nfs/dbraw/zinc/33/17/94/477331794.db2.gz NATPQMMSGBBCEQ-OAHLLOKOSA-N 1 0 337.420 2.964 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448904547 477334337 /nfs/dbraw/zinc/33/43/37/477334337.db2.gz RIPBFOWCZSQWPX-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458284678 477334961 /nfs/dbraw/zinc/33/49/61/477334961.db2.gz NDFRNXLSTQGRFU-UHFFFAOYSA-N 1 0 331.376 2.503 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411724651 477344840 /nfs/dbraw/zinc/34/48/40/477344840.db2.gz YXHWRCCVEBRXNS-PBHICJAKSA-N 1 0 349.431 2.939 20 5 EFBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000367129283 477357433 /nfs/dbraw/zinc/35/74/33/477357433.db2.gz PBMLCCHXPWCQHZ-QGZVFWFLSA-N 1 0 327.384 2.902 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000376489359 477360579 /nfs/dbraw/zinc/36/05/79/477360579.db2.gz CVSFCXKZDPHVAI-CQSZACIVSA-N 1 0 344.415 2.792 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000376489357 477360877 /nfs/dbraw/zinc/36/08/77/477360877.db2.gz CVSFCXKZDPHVAI-AWEZNQCLSA-N 1 0 344.415 2.792 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000411793824 477370301 /nfs/dbraw/zinc/37/03/01/477370301.db2.gz OJOQMDUWQAWWAI-OAHLLOKOSA-N 1 0 337.420 2.652 20 5 EFBDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517733 477378679 /nfs/dbraw/zinc/37/86/79/477378679.db2.gz BNZPLCIEQBHFSU-DLBZAZTESA-N 1 0 344.415 2.902 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000376549996 477394131 /nfs/dbraw/zinc/39/41/31/477394131.db2.gz BUQAZOWAZIGSPF-ZDUSSCGKSA-N 1 0 337.807 2.693 20 5 EFBDRO COc1cc(C)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449027611 477396765 /nfs/dbraw/zinc/39/67/65/477396765.db2.gz JEWNVCMTNLDDRH-HNNXBMFYSA-N 1 0 342.399 2.993 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411967864 477400200 /nfs/dbraw/zinc/40/02/00/477400200.db2.gz IVFFARVODHIYCE-YVEFUNNKSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411968320 477400522 /nfs/dbraw/zinc/40/05/22/477400522.db2.gz FVRMAHOPNMPLHN-GFCCVEGCSA-N 1 0 335.404 2.595 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412317887 477416044 /nfs/dbraw/zinc/41/60/44/477416044.db2.gz PBKJBIUDWJCSRM-DLBZAZTESA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCCCC1=O ZINC000449063835 477418690 /nfs/dbraw/zinc/41/86/90/477418690.db2.gz RHQLDSFBVQVLGC-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449093205 477435205 /nfs/dbraw/zinc/43/52/05/477435205.db2.gz WQINKXSTBHWKAS-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000449094420 477436779 /nfs/dbraw/zinc/43/67/79/477436779.db2.gz RUBOLGVRZNWCCM-CQSZACIVSA-N 1 0 348.424 2.589 20 5 EFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449115325 477445162 /nfs/dbraw/zinc/44/51/62/477445162.db2.gz LJRDWAJPNOALEY-DZGCQCFKSA-N 1 0 343.431 2.845 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449125114 477449686 /nfs/dbraw/zinc/44/96/86/477449686.db2.gz IHFNNVWBNKOEPD-ZFWWWQNUSA-N 1 0 343.431 2.845 20 5 EFBDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000371734331 477468717 /nfs/dbraw/zinc/46/87/17/477468717.db2.gz FINCXJRDXCTOQC-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000371737976 477469773 /nfs/dbraw/zinc/46/97/73/477469773.db2.gz YZKLQYVCHMNHOR-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000436377865 477471661 /nfs/dbraw/zinc/47/16/61/477471661.db2.gz OTVPJESETNKWNG-LBPRGKRZSA-N 1 0 332.326 2.785 20 5 EFBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413032411 477478634 /nfs/dbraw/zinc/47/86/34/477478634.db2.gz ZQBFXULLKKFEGJ-CQSZACIVSA-N 1 0 334.351 2.852 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449198425 477481594 /nfs/dbraw/zinc/48/15/94/477481594.db2.gz BMXIPVWVDULVIP-STQMWFEESA-N 1 0 349.456 2.778 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449198422 477481715 /nfs/dbraw/zinc/48/17/15/477481715.db2.gz BMXIPVWVDULVIP-CHWSQXEVSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000413039603 477483057 /nfs/dbraw/zinc/48/30/57/477483057.db2.gz HWAKNQYACCPJPZ-GFCCVEGCSA-N 1 0 330.363 2.988 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449204854 477485734 /nfs/dbraw/zinc/48/57/34/477485734.db2.gz JVCGFUCZSLDBHK-HUUCEWRRSA-N 1 0 345.443 2.721 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000449285870 477525254 /nfs/dbraw/zinc/52/52/54/477525254.db2.gz TWYCVQPSCDMDJB-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000449288961 477526748 /nfs/dbraw/zinc/52/67/48/477526748.db2.gz PNPCXDYJYABFIP-ZBFHGGJFSA-N 1 0 343.431 2.518 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCOCC2)c(F)c1 ZINC000413158288 477545492 /nfs/dbraw/zinc/54/54/92/477545492.db2.gz RNLXYCXKJUQNNN-UHFFFAOYSA-N 1 0 338.383 2.576 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000413166671 477549270 /nfs/dbraw/zinc/54/92/70/477549270.db2.gz KKGHGENPYQNBDG-HUUCEWRRSA-N 1 0 347.415 2.739 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000367520716 477555995 /nfs/dbraw/zinc/55/59/95/477555995.db2.gz RCNMMTQMATYWSC-IBGZPJMESA-N 1 0 341.411 2.978 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000449942136 477575374 /nfs/dbraw/zinc/57/53/74/477575374.db2.gz RVYXYIHVGROIBC-GXSJLCMTSA-N 1 0 345.321 2.826 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413272418 477603135 /nfs/dbraw/zinc/60/31/35/477603135.db2.gz RHDXMOCGLTXCQZ-UHFFFAOYSA-N 1 0 332.326 2.931 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000425060785 477622891 /nfs/dbraw/zinc/62/28/91/477622891.db2.gz XCRVLGOMSMIFSG-SMDDNHRTSA-N 1 0 329.356 2.507 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000450542736 477627685 /nfs/dbraw/zinc/62/76/85/477627685.db2.gz VDCZKPLENQDBBR-NXEZZACHSA-N 1 0 345.321 2.778 20 5 EFBDRO O=C(c1ccccc1)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420178541 477630180 /nfs/dbraw/zinc/63/01/80/477630180.db2.gz DVYDXTRQPCCBHY-OAHLLOKOSA-N 1 0 325.368 2.990 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000413329953 477631205 /nfs/dbraw/zinc/63/12/05/477631205.db2.gz QWJLJOGKYJELLL-UHFFFAOYSA-N 1 0 349.431 2.938 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458891156 477644047 /nfs/dbraw/zinc/64/40/47/477644047.db2.gz QIZKYUYCBCJFQU-XJKSGUPXSA-N 1 0 334.420 2.637 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000450595037 477647482 /nfs/dbraw/zinc/64/74/82/477647482.db2.gz QBRPGMQJKIYCGD-AWEZNQCLSA-N 1 0 334.420 2.616 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450594837 477647536 /nfs/dbraw/zinc/64/75/36/477647536.db2.gz LEWMUWXRSYGCHA-LBPRGKRZSA-N 1 0 327.812 2.815 20 5 EFBDRO CC[C@H]([NH3+])CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420262612 477652424 /nfs/dbraw/zinc/65/24/24/477652424.db2.gz MSFDGMRVYPCYFQ-LURJTMIESA-N 1 0 328.241 2.793 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000450615130 477655012 /nfs/dbraw/zinc/65/50/12/477655012.db2.gz OCTCPVAAYXRXHJ-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000450615128 477655138 /nfs/dbraw/zinc/65/51/38/477655138.db2.gz OCTCPVAAYXRXHJ-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)cc1C(F)(F)F ZINC000450621880 477657827 /nfs/dbraw/zinc/65/78/27/477657827.db2.gz XZHONTROAISSDO-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2nccn2C)C1 ZINC000377135361 477659350 /nfs/dbraw/zinc/65/93/50/477659350.db2.gz BDXMMQUCJJNBIN-CYBMUJFWSA-N 1 0 328.372 2.915 20 5 EFBDRO Cc1cc(NCc2nnc(C(C)(C)C)[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413402595 477663738 /nfs/dbraw/zinc/66/37/38/477663738.db2.gz BRXZAUGASCTGON-UHFFFAOYSA-N 1 0 340.387 2.901 20 5 EFBDRO Cc1cc(N2CCCO[C@@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413485683 477695870 /nfs/dbraw/zinc/69/58/70/477695870.db2.gz UUWUVGKBMCFQQE-HNNXBMFYSA-N 1 0 346.362 2.925 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000377247378 477708448 /nfs/dbraw/zinc/70/84/48/477708448.db2.gz AHJPTKIOJRUZME-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413528353 477715098 /nfs/dbraw/zinc/71/50/98/477715098.db2.gz DGCGJECEKVZWGS-CQSZACIVSA-N 1 0 343.431 2.830 20 5 EFBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450805120 477723586 /nfs/dbraw/zinc/72/35/86/477723586.db2.gz CKXKQCXDWCQMIT-HNNXBMFYSA-N 1 0 326.400 2.948 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000426915780 477759283 /nfs/dbraw/zinc/75/92/83/477759283.db2.gz HIDSECLTVURSMD-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO CC[NH+]1CCN(CC(C)(C)Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000450923310 477763058 /nfs/dbraw/zinc/76/30/58/477763058.db2.gz QJXZTACHDGTTDX-UHFFFAOYSA-N 1 0 342.390 2.701 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000372381711 477780337 /nfs/dbraw/zinc/78/03/37/477780337.db2.gz XZGQECLCALFYDH-RYUDHWBXSA-N 1 0 335.429 2.673 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000427847825 477780829 /nfs/dbraw/zinc/78/08/29/477780829.db2.gz KWEOTSBJHHEGLF-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010772 477786113 /nfs/dbraw/zinc/78/61/13/477786113.db2.gz LYPRWOMICFVDSZ-ZDUSSCGKSA-N 1 0 334.420 2.609 20 5 EFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc21 ZINC000456253508 477839604 /nfs/dbraw/zinc/83/96/04/477839604.db2.gz BCWSTOAOXHESBP-HNNXBMFYSA-N 1 0 340.383 2.978 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420939179 477840922 /nfs/dbraw/zinc/84/09/22/477840922.db2.gz LRBNGJWBKOGHNJ-AGIUHOORSA-N 1 0 346.387 2.656 20 5 EFBDRO Cn1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456266081 477843558 /nfs/dbraw/zinc/84/35/58/477843558.db2.gz HTVYLHMKKUQJJA-AWEZNQCLSA-N 1 0 328.372 2.735 20 5 EFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420959722 477857948 /nfs/dbraw/zinc/85/79/48/477857948.db2.gz QSFYNQLBLQZYEK-IYBDPMFKSA-N 1 0 335.404 2.813 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420961074 477858139 /nfs/dbraw/zinc/85/81/39/477858139.db2.gz HWYRSOSEZVCKNG-HZPDHXFCSA-N 1 0 334.416 2.847 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456341429 477872326 /nfs/dbraw/zinc/87/23/26/477872326.db2.gz FKGILVPUSYPXGN-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515908080 477873232 /nfs/dbraw/zinc/87/32/32/477873232.db2.gz XIHNKOZROBHZIL-BBRMVZONSA-N 1 0 348.374 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](Oc4ccncc4)C3)nc2c1 ZINC000428362575 477876188 /nfs/dbraw/zinc/87/61/88/477876188.db2.gz NWYZMQHUWDQKEC-ZDUSSCGKSA-N 1 0 325.328 2.524 20 5 EFBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438717107 477878867 /nfs/dbraw/zinc/87/88/67/477878867.db2.gz JDDFXXWISGSDCJ-SJLPKXTDSA-N 1 0 346.431 2.790 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456372473 477895301 /nfs/dbraw/zinc/89/53/01/477895301.db2.gz HRQHJPSUQCVARD-CQSZACIVSA-N 1 0 344.415 2.561 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456395136 477910230 /nfs/dbraw/zinc/91/02/30/477910230.db2.gz ZMBRUIYIMLIXRR-QWHCGFSZSA-N 1 0 337.395 2.780 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000462621439 477911990 /nfs/dbraw/zinc/91/19/90/477911990.db2.gz HUJLLIGGTLTXSG-MRXNPFEDSA-N 1 0 335.448 2.964 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070148 477915315 /nfs/dbraw/zinc/91/53/15/477915315.db2.gz VGKSWBVMKXZVBB-KDOFPFPSSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070150 477916169 /nfs/dbraw/zinc/91/61/69/477916169.db2.gz VGKSWBVMKXZVBB-RDTXWAMCSA-N 1 0 339.395 2.988 20 5 EFBDRO CC(C)c1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000462920896 477923514 /nfs/dbraw/zinc/92/35/14/477923514.db2.gz XMDZZGCBBWENAX-UHFFFAOYSA-N 1 0 344.419 2.520 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000532453084 477930374 /nfs/dbraw/zinc/93/03/74/477930374.db2.gz URAMVSZFTFFMCN-HUUCEWRRSA-N 1 0 330.384 2.994 20 5 EFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532511327 477938171 /nfs/dbraw/zinc/93/81/71/477938171.db2.gz YKELHPYZNCKXOI-AHIWAGSCSA-N 1 0 337.420 2.699 20 5 EFBDRO CCOc1cc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)ccc1[N+](=O)[O-] ZINC000451307476 477944852 /nfs/dbraw/zinc/94/48/52/477944852.db2.gz AXNYUCVZKFTXGN-INIZCTEOSA-N 1 0 337.420 2.586 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000459511459 477946334 /nfs/dbraw/zinc/94/63/34/477946334.db2.gz PIPAUQBMDFRHDX-CYBMUJFWSA-N 1 0 340.374 2.937 20 5 EFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000494242275 477951508 /nfs/dbraw/zinc/95/15/08/477951508.db2.gz RETNYDGTZBKQMA-SJKOYZFVSA-N 1 0 331.372 2.949 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000516563892 477951688 /nfs/dbraw/zinc/95/16/88/477951688.db2.gz YRPNADIYBRDHAE-KDOFPFPSSA-N 1 0 330.384 2.728 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000516632377 477965534 /nfs/dbraw/zinc/96/55/34/477965534.db2.gz XWYGZRLOGIUCMF-GOSISDBHSA-N 1 0 344.411 2.817 20 5 EFBDRO COC(=O)c1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000532665606 477967227 /nfs/dbraw/zinc/96/72/27/477967227.db2.gz BLDZECXWYXVBEC-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000494375875 477973505 /nfs/dbraw/zinc/97/35/05/477973505.db2.gz RWLHADYJXPFMBE-WOSRLPQWSA-N 1 0 332.404 2.789 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000456540290 477974182 /nfs/dbraw/zinc/97/41/82/477974182.db2.gz ZCWYLCKNSZRIRC-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000456543296 477974696 /nfs/dbraw/zinc/97/46/96/477974696.db2.gz FESAEAXOMJUFNN-ZDUSSCGKSA-N 1 0 346.431 2.725 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCSC)c([N+](=O)[O-])c1 ZINC000439479663 477987891 /nfs/dbraw/zinc/98/78/91/477987891.db2.gz ANZDMWIQAZMWJT-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])cn3C)CC2)CC1 ZINC000532790430 477990353 /nfs/dbraw/zinc/99/03/53/477990353.db2.gz ANIDIHGRSALIBB-UHFFFAOYSA-N 1 0 348.447 2.706 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451409225 477997748 /nfs/dbraw/zinc/99/77/48/477997748.db2.gz AAWPRDRNTRJGHV-IARIHHJXSA-N 1 0 347.415 2.547 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451412983 477999433 /nfs/dbraw/zinc/99/94/33/477999433.db2.gz GQENQGWDLREBDO-LXZKKBNFSA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000494543260 478006900 /nfs/dbraw/zinc/00/69/00/478006900.db2.gz AUMRIONKHJMOBE-HIFRSBDPSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459615497 478011331 /nfs/dbraw/zinc/01/13/31/478011331.db2.gz PDNNYINCHKCHNL-BBRMVZONSA-N 1 0 340.445 2.927 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000439697017 478017561 /nfs/dbraw/zinc/01/75/61/478017561.db2.gz RQKZQTOFKRAGDW-CYBMUJFWSA-N 1 0 325.434 2.897 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000459633499 478018478 /nfs/dbraw/zinc/01/84/78/478018478.db2.gz NCIOTYJQBHOVLK-XPKDYRNWSA-N 1 0 335.404 2.858 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000516950075 478018876 /nfs/dbraw/zinc/01/88/76/478018876.db2.gz YSNMUCKZHREQJV-QXSJWSMHSA-N 1 0 334.420 2.822 20 5 EFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000428989230 478022286 /nfs/dbraw/zinc/02/22/86/478022286.db2.gz BYNDGVLRJNQVMV-JJRVBVJISA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000428999572 478030073 /nfs/dbraw/zinc/03/00/73/478030073.db2.gz VDSPKHHVCBKGDJ-DVOMOZLQSA-N 1 0 344.415 2.898 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451476051 478037538 /nfs/dbraw/zinc/03/75/38/478037538.db2.gz DSBKYJBLBSTTOD-CVEARBPZSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000487517535 478039928 /nfs/dbraw/zinc/03/99/28/478039928.db2.gz OOEHUBYMGFLYJZ-BBRMVZONSA-N 1 0 342.399 2.563 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481149 478041474 /nfs/dbraw/zinc/04/14/74/478041474.db2.gz AHHVCBSLRFEIPG-CXAGYDPISA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451483477 478043583 /nfs/dbraw/zinc/04/35/83/478043583.db2.gz FGXDDPWQKZVRAU-WMLDXEAASA-N 1 0 335.404 2.635 20 5 EFBDRO COC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000459693639 478043899 /nfs/dbraw/zinc/04/38/99/478043899.db2.gz WXHYDUOEOUMYEC-FUJMWEONSA-N 1 0 335.404 2.859 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490343 478047493 /nfs/dbraw/zinc/04/74/93/478047493.db2.gz HVDJVAWCDUVGAE-QWHCGFSZSA-N 1 0 332.360 2.548 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451491251 478047977 /nfs/dbraw/zinc/04/79/77/478047977.db2.gz BFAXPYHUBTWFRU-IUIKQTSFSA-N 1 0 335.404 2.573 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451490467 478048128 /nfs/dbraw/zinc/04/81/28/478048128.db2.gz IBNDXISRDBHVHD-OLZOCXBDSA-N 1 0 341.795 2.590 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451493237 478050289 /nfs/dbraw/zinc/05/02/89/478050289.db2.gz DWUOQDFQXQRXFQ-JCURWCKSSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499872 478054833 /nfs/dbraw/zinc/05/48/33/478054833.db2.gz XPGBQGVKGKPOGM-CXAGYDPISA-N 1 0 335.404 2.635 20 5 EFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459719733 478056609 /nfs/dbraw/zinc/05/66/09/478056609.db2.gz RZXIHKGQIPEYFA-AWEZNQCLSA-N 1 0 335.404 2.814 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451512749 478060198 /nfs/dbraw/zinc/06/01/98/478060198.db2.gz XZQKREGFPHUHJC-HUUCEWRRSA-N 1 0 335.404 2.635 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451523434 478064257 /nfs/dbraw/zinc/06/42/57/478064257.db2.gz CWYQWZFBMAEPCS-RHSMWYFYSA-N 1 0 349.431 2.979 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451523064 478064715 /nfs/dbraw/zinc/06/47/15/478064715.db2.gz CGRTUDNNMQJLOP-CZUORRHYSA-N 1 0 335.404 2.670 20 5 EFBDRO CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451521979 478064978 /nfs/dbraw/zinc/06/49/78/478064978.db2.gz AJUWXAVFTUJTKN-XJKCOSOUSA-N 1 0 335.404 2.669 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459734213 478065071 /nfs/dbraw/zinc/06/50/71/478065071.db2.gz GXGXWQPCNKRXTF-UHOFOFEASA-N 1 0 347.415 2.859 20 5 EFBDRO CCO[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000451523238 478065088 /nfs/dbraw/zinc/06/50/88/478065088.db2.gz JAKLLNVMBLSKGA-WFASDCNBSA-N 1 0 346.387 2.892 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000429139959 478065968 /nfs/dbraw/zinc/06/59/68/478065968.db2.gz WZGQBVQLXAAMAN-GXFFZTMASA-N 1 0 346.412 2.528 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000517245061 478072799 /nfs/dbraw/zinc/07/27/99/478072799.db2.gz QQZIZCHLVISDRQ-NVXWUHKLSA-N 1 0 333.432 2.761 20 5 EFBDRO CON1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421398684 478073593 /nfs/dbraw/zinc/07/35/93/478073593.db2.gz OLFGFNIEYFTVHO-RHSMWYFYSA-N 1 0 333.432 2.921 20 5 EFBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421398309 478074156 /nfs/dbraw/zinc/07/41/56/478074156.db2.gz YMTLCCXDPVMJTO-CQSZACIVSA-N 1 0 329.356 2.565 20 5 EFBDRO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539200 478074333 /nfs/dbraw/zinc/07/43/33/478074333.db2.gz FGMBNTBKSWUKFV-FZMZJTMJSA-N 1 0 332.360 2.502 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000429204970 478079455 /nfs/dbraw/zinc/07/94/55/478079455.db2.gz KTRURJGXPMWEDQ-HNNXBMFYSA-N 1 0 347.371 2.998 20 5 EFBDRO CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545524 478079851 /nfs/dbraw/zinc/07/98/51/478079851.db2.gz HPNZOTGLQFDKTR-RDJZCZTQSA-N 1 0 331.416 2.784 20 5 EFBDRO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547681 478082710 /nfs/dbraw/zinc/08/27/10/478082710.db2.gz LQFPFILSKFEQCZ-GDBMZVCRSA-N 1 0 333.432 2.935 20 5 EFBDRO CO[C@@H]1C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000459772066 478084584 /nfs/dbraw/zinc/08/45/84/478084584.db2.gz RWJJNOFLENHOTE-ZIAGYGMSSA-N 1 0 344.371 2.692 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549693 478084749 /nfs/dbraw/zinc/08/47/49/478084749.db2.gz QGAKCFUJMIFHTA-PBHICJAKSA-N 1 0 329.400 2.538 20 5 EFBDRO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451550012 478085364 /nfs/dbraw/zinc/08/53/64/478085364.db2.gz QKVLKJZDBCGXMK-INIZCTEOSA-N 1 0 331.416 2.787 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000533478403 478086553 /nfs/dbraw/zinc/08/65/53/478086553.db2.gz MPVVDTLDZRLVFG-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451555540 478092379 /nfs/dbraw/zinc/09/23/79/478092379.db2.gz BYKHEBXXJRBGII-BLLLJJGKSA-N 1 0 335.404 2.589 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000459793201 478096002 /nfs/dbraw/zinc/09/60/02/478096002.db2.gz TUVZOWWLCZFIAF-LSDHHAIUSA-N 1 0 334.372 2.509 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429278112 478097311 /nfs/dbraw/zinc/09/73/11/478097311.db2.gz XIRTXKQTSVLLFA-AWEZNQCLSA-N 1 0 330.384 2.859 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451568681 478099419 /nfs/dbraw/zinc/09/94/19/478099419.db2.gz NYEGDEQOFPHBHH-CJNGLKHVSA-N 1 0 335.404 2.589 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000429310638 478109427 /nfs/dbraw/zinc/10/94/27/478109427.db2.gz URRHTRMNBUNQTG-CQSZACIVSA-N 1 0 328.368 2.956 20 5 EFBDRO CCOc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000429316274 478110959 /nfs/dbraw/zinc/11/09/59/478110959.db2.gz VSGPVXXUTQUQTN-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO CCOc1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000451596378 478115609 /nfs/dbraw/zinc/11/56/09/478115609.db2.gz FUNYVOMJJOCQEZ-YJBOKZPZSA-N 1 0 334.416 2.880 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000534021620 478123078 /nfs/dbraw/zinc/12/30/78/478123078.db2.gz ZZAJAVNSRAIVGY-WBVHZDCISA-N 1 0 336.388 2.685 20 5 EFBDRO COc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000451610349 478123099 /nfs/dbraw/zinc/12/30/99/478123099.db2.gz KFPVIPBJHLWMMM-SUMWQHHRSA-N 1 0 338.379 2.629 20 5 EFBDRO Cc1ccoc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000429377915 478124734 /nfs/dbraw/zinc/12/47/34/478124734.db2.gz GEJRCTSRALXHEA-UHFFFAOYSA-N 1 0 345.355 2.926 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534144694 478127915 /nfs/dbraw/zinc/12/79/15/478127915.db2.gz RIZROCYUNDSVHC-BBRMVZONSA-N 1 0 338.411 2.973 20 5 EFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000429515564 478145966 /nfs/dbraw/zinc/14/59/66/478145966.db2.gz BRQYXWFKASKDMB-ZDUSSCGKSA-N 1 0 342.399 2.733 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000561204828 478165002 /nfs/dbraw/zinc/16/50/02/478165002.db2.gz FFQVVYLFYHWLLH-UHFFFAOYSA-N 1 0 334.420 2.585 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716346 478173744 /nfs/dbraw/zinc/17/37/44/478173744.db2.gz BTZMEGBHBKHMSU-MBNYWOFBSA-N 1 0 337.395 2.909 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)C1 ZINC000488737465 478176578 /nfs/dbraw/zinc/17/65/78/478176578.db2.gz RZIDUKBJAWYZCN-XEZPLFJOSA-N 1 0 341.415 2.705 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451727931 478179844 /nfs/dbraw/zinc/17/98/44/478179844.db2.gz CSVAPXCKNLTHCB-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000518735667 478187212 /nfs/dbraw/zinc/18/72/12/478187212.db2.gz SZOIOOMBOJBLEP-CQSZACIVSA-N 1 0 346.431 2.831 20 5 EFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762832 478187885 /nfs/dbraw/zinc/18/78/85/478187885.db2.gz QUCVIPBHKHDHGF-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000561487627 478189969 /nfs/dbraw/zinc/18/99/69/478189969.db2.gz UZGMHHXGDJJZGQ-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000535072223 478196403 /nfs/dbraw/zinc/19/64/03/478196403.db2.gz LABUKMVSAODXQO-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000561765878 478204399 /nfs/dbraw/zinc/20/43/99/478204399.db2.gz WRMJFZJIQCSFCN-HDMKZQKVSA-N 1 0 345.443 2.716 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000518999972 478204488 /nfs/dbraw/zinc/20/44/88/478204488.db2.gz NYQHQSOVQRCMPP-CYBMUJFWSA-N 1 0 334.420 2.698 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000561765876 478204548 /nfs/dbraw/zinc/20/45/48/478204548.db2.gz WRMJFZJIQCSFCN-DAYGRLMNSA-N 1 0 345.443 2.716 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000519142383 478211921 /nfs/dbraw/zinc/21/19/21/478211921.db2.gz KVOTZVDNCPQGSR-CQSZACIVSA-N 1 0 331.372 2.897 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495544973 478224941 /nfs/dbraw/zinc/22/49/41/478224941.db2.gz WHVAGIJZFOSNJP-HIFRSBDPSA-N 1 0 335.404 2.941 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489235030 478226566 /nfs/dbraw/zinc/22/65/66/478226566.db2.gz SWRQVTPBBKVZJX-CQSZACIVSA-N 1 0 343.431 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000562294728 478228827 /nfs/dbraw/zinc/22/88/27/478228827.db2.gz LEIIAZCYKXSAKA-KRWDZBQOSA-N 1 0 334.803 2.984 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489358818 478236969 /nfs/dbraw/zinc/23/69/69/478236969.db2.gz CLWIFVOCSCHFHJ-KGLIPLIRSA-N 1 0 336.436 2.994 20 5 EFBDRO Cc1noc([C@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612202 478240585 /nfs/dbraw/zinc/24/05/85/478240585.db2.gz NZEXFHSEYUGFAJ-NSHDSACASA-N 1 0 347.375 2.616 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000536232186 478244809 /nfs/dbraw/zinc/24/48/09/478244809.db2.gz JLIMZVGVRCCTIA-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@H]([NH3+])c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000519696764 478250909 /nfs/dbraw/zinc/25/09/09/478250909.db2.gz FCOIYKFTSLVTOF-LBPRGKRZSA-N 1 0 341.367 2.583 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519708817 478252717 /nfs/dbraw/zinc/25/27/17/478252717.db2.gz NWKVKFBDBUPETQ-LNLFQRSKSA-N 1 0 345.443 2.815 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000489540608 478255507 /nfs/dbraw/zinc/25/55/07/478255507.db2.gz IUUKYEJTRSRTQU-JSGCOSHPSA-N 1 0 332.404 2.500 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)cc1 ZINC000562545297 478265763 /nfs/dbraw/zinc/26/57/63/478265763.db2.gz RVRRMOOHPGQACF-FUHWJXTLSA-N 1 0 334.416 2.970 20 5 EFBDRO COCCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000579343837 478273952 /nfs/dbraw/zinc/27/39/52/478273952.db2.gz LUWRCOWWYONFGY-UHFFFAOYSA-N 1 0 335.404 2.720 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590658532 478277093 /nfs/dbraw/zinc/27/70/93/478277093.db2.gz YHSRDZWKAHQLCF-WFASDCNBSA-N 1 0 336.388 2.613 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594213264 478277729 /nfs/dbraw/zinc/27/77/29/478277729.db2.gz UCWXUFWEEJIMQI-IAOVAPTHSA-N 1 0 346.431 2.972 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000590659595 478279817 /nfs/dbraw/zinc/27/98/17/478279817.db2.gz UUVIFWDWFRURAH-LRDDRELGSA-N 1 0 336.388 2.628 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520240476 478287531 /nfs/dbraw/zinc/28/75/31/478287531.db2.gz YEWSFFIQVJUSPD-UHFFFAOYSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@@H]1C[N@@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000520254381 478291208 /nfs/dbraw/zinc/29/12/08/478291208.db2.gz UKQOMCMFCFNTMC-OKILXGFUSA-N 1 0 330.388 2.568 20 5 EFBDRO CC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000590695554 478295158 /nfs/dbraw/zinc/29/51/58/478295158.db2.gz BTAQTDRLUSOVSB-LBPRGKRZSA-N 1 0 330.388 2.682 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000562646338 478296206 /nfs/dbraw/zinc/29/62/06/478296206.db2.gz SFBJMDMUTAIBMP-GXSJLCMTSA-N 1 0 343.836 2.679 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594241861 478297068 /nfs/dbraw/zinc/29/70/68/478297068.db2.gz IQBNGYDCFQTKNT-NVXWUHKLSA-N 1 0 346.431 2.719 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594241865 478297322 /nfs/dbraw/zinc/29/73/22/478297322.db2.gz IQBNGYDCFQTKNT-WBVHZDCISA-N 1 0 346.431 2.719 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594241863 478297513 /nfs/dbraw/zinc/29/75/13/478297513.db2.gz IQBNGYDCFQTKNT-RDJZCZTQSA-N 1 0 346.431 2.719 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000579470659 478305094 /nfs/dbraw/zinc/30/50/94/478305094.db2.gz OJAWUKQBPSXBIP-ZDUSSCGKSA-N 1 0 333.388 2.567 20 5 EFBDRO C[NH+](C)CCOCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000537543423 478308443 /nfs/dbraw/zinc/30/84/43/478308443.db2.gz RSFXSDCMBIFEPZ-UHFFFAOYSA-N 1 0 337.423 2.696 20 5 EFBDRO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C[NH+](C)C ZINC000537584803 478313271 /nfs/dbraw/zinc/31/32/71/478313271.db2.gz LRIDDGWRBXZNIF-LLVKDONJSA-N 1 0 332.404 2.782 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc2c1CC[NH2+]C2 ZINC000520543161 478322522 /nfs/dbraw/zinc/32/25/22/478322522.db2.gz DPUIPBAAUFCNBY-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000570270696 478323042 /nfs/dbraw/zinc/32/30/42/478323042.db2.gz GPWGHDYCQNXEPB-LBPRGKRZSA-N 1 0 331.376 2.598 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590761466 478326343 /nfs/dbraw/zinc/32/63/43/478326343.db2.gz WAKHFAXHMMGUEO-NEPJUHHUSA-N 1 0 333.344 2.557 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000490300444 478327245 /nfs/dbraw/zinc/32/72/45/478327245.db2.gz OZNZDWIPGZGXRL-HNNXBMFYSA-N 1 0 339.823 2.589 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774976 478332157 /nfs/dbraw/zinc/33/21/57/478332157.db2.gz AQGBLUWIICFQKB-NVXWUHKLSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000590780367 478334152 /nfs/dbraw/zinc/33/41/52/478334152.db2.gz COFJMWKLGAPBLG-RRQGHBQHSA-N 1 0 329.400 2.715 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000600313525 478335014 /nfs/dbraw/zinc/33/50/14/478335014.db2.gz YUUFWDBXKPWYHJ-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000520952303 478355144 /nfs/dbraw/zinc/35/51/44/478355144.db2.gz NUDHJZUSGVVKCE-HNNXBMFYSA-N 1 0 342.399 2.739 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[NH+](C(C)(C)CC)CC2)cc1[N+](=O)[O-] ZINC000594389495 478357158 /nfs/dbraw/zinc/35/71/58/478357158.db2.gz KHNTYEFZJAKZIH-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594422339 478376858 /nfs/dbraw/zinc/37/68/58/478376858.db2.gz XVUPHKVOSUHIMN-RDJZCZTQSA-N 1 0 342.399 2.823 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597532838 478398564 /nfs/dbraw/zinc/39/85/64/478398564.db2.gz LSGSOOPNTVTEKB-DJIMGWMZSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000590942712 478409407 /nfs/dbraw/zinc/40/94/07/478409407.db2.gz LTRZLPZIHRSBKB-XJKSGUPXSA-N 1 0 332.404 2.536 20 5 EFBDRO CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496605 478412626 /nfs/dbraw/zinc/41/26/26/478412626.db2.gz PNHGJTWDJWGQSA-ROUUACIJSA-N 1 0 333.432 2.889 20 5 EFBDRO O=C(CC[NH2+]CCC[C@H]1CCCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000581662921 478413115 /nfs/dbraw/zinc/41/31/15/478413115.db2.gz FMDFEBCDENIKRE-CQSZACIVSA-N 1 0 335.404 2.862 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000594505942 478415616 /nfs/dbraw/zinc/41/56/16/478415616.db2.gz FZLAAMXIQVVKTJ-YOEHRIQHSA-N 1 0 330.359 2.914 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)Cc1ccccn1 ZINC000594514217 478421593 /nfs/dbraw/zinc/42/15/93/478421593.db2.gz IEVJTCLYOQHNEX-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000590971750 478423089 /nfs/dbraw/zinc/42/30/89/478423089.db2.gz KRNIDXOGSGFHJL-CYBMUJFWSA-N 1 0 345.424 2.939 20 5 EFBDRO CSc1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597588386 478423222 /nfs/dbraw/zinc/42/32/22/478423222.db2.gz JCHQSCNLXNVPTP-UHFFFAOYSA-N 1 0 335.429 2.675 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594516525 478423572 /nfs/dbraw/zinc/42/35/72/478423572.db2.gz XCHMZRHLEXHQKZ-FVQBIDKESA-N 1 0 329.404 2.891 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594518379 478423773 /nfs/dbraw/zinc/42/37/73/478423773.db2.gz GWUFOPCDAUNOJE-CQSZACIVSA-N 1 0 338.429 2.529 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597589907 478424073 /nfs/dbraw/zinc/42/40/73/478424073.db2.gz YPRNLSNHVVJPIZ-INIZCTEOSA-N 1 0 345.443 2.908 20 5 EFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594521680 478424281 /nfs/dbraw/zinc/42/42/81/478424281.db2.gz NSAGKJZHGBFGJZ-CJNGLKHVSA-N 1 0 341.415 2.638 20 5 EFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000594520573 478424427 /nfs/dbraw/zinc/42/44/27/478424427.db2.gz JLZKKBUPSCTIJV-BDJLRTHQSA-N 1 0 341.415 2.593 20 5 EFBDRO CCC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594523208 478425191 /nfs/dbraw/zinc/42/51/91/478425191.db2.gz XEXFTIDERJJJGQ-HIFRSBDPSA-N 1 0 329.404 2.712 20 5 EFBDRO O=C(CC[N@@H+]1CCOCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000591021889 478434638 /nfs/dbraw/zinc/43/46/38/478434638.db2.gz NPVBKMAOCGOONV-UHFFFAOYSA-N 1 0 333.388 2.568 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594554082 478434670 /nfs/dbraw/zinc/43/46/70/478434670.db2.gz KJRUPRDWGMYSPC-LZWOXQAQSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594554155 478434737 /nfs/dbraw/zinc/43/47/37/478434737.db2.gz OFIGWQQKDJUMSN-JQFCIGGWSA-N 1 0 346.431 2.528 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000570738178 478434692 /nfs/dbraw/zinc/43/46/92/478434692.db2.gz YEJKNDLVFBEDOM-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000570750924 478435538 /nfs/dbraw/zinc/43/55/38/478435538.db2.gz XXFVGBOVVNOQKV-KBXCAEBGSA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000570750926 478435851 /nfs/dbraw/zinc/43/58/51/478435851.db2.gz XXFVGBOVVNOQKV-KSSFIOAISA-N 1 0 331.416 2.643 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591036181 478441219 /nfs/dbraw/zinc/44/12/19/478441219.db2.gz COULJKNSSTWMHG-XOKHGSTOSA-N 1 0 331.416 2.545 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000591039818 478442053 /nfs/dbraw/zinc/44/20/53/478442053.db2.gz NEWODLJWKDGFDD-HNNXBMFYSA-N 1 0 349.431 2.985 20 5 EFBDRO COC(=O)[C@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591054121 478444685 /nfs/dbraw/zinc/44/46/85/478444685.db2.gz RCLVCFKUBQHSRC-QGZVFWFLSA-N 1 0 336.388 2.639 20 5 EFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594596502 478456250 /nfs/dbraw/zinc/45/62/50/478456250.db2.gz AENMOKOXXLPUBA-IRXDYDNUSA-N 1 0 326.400 2.994 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594604041 478462010 /nfs/dbraw/zinc/46/20/10/478462010.db2.gz XCTKGUUZLAYVDH-KGLIPLIRSA-N 1 0 348.403 2.595 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603783 478462631 /nfs/dbraw/zinc/46/26/31/478462631.db2.gz VTRMBSLUVKXXTK-ZIAGYGMSSA-N 1 0 348.403 2.514 20 5 EFBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570887996 478469974 /nfs/dbraw/zinc/46/99/74/478469974.db2.gz DBXJKPJNZUCZDB-WPRPVWTQSA-N 1 0 346.168 2.945 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597701966 478470460 /nfs/dbraw/zinc/47/04/60/478470460.db2.gz YKEWQACBXCKWKG-BXKDBHETSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597701915 478471140 /nfs/dbraw/zinc/47/11/40/478471140.db2.gz XGGYVKGRPSOZOZ-RNCFNFMXSA-N 1 0 345.321 2.778 20 5 EFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000597703930 478471682 /nfs/dbraw/zinc/47/16/82/478471682.db2.gz WJAPKFHJPVIVQS-UHFFFAOYSA-N 1 0 335.404 2.914 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000597709777 478472725 /nfs/dbraw/zinc/47/27/25/478472725.db2.gz BMVXHBOOZQERAD-SCTDSRPQSA-N 1 0 343.427 2.643 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710530 478474351 /nfs/dbraw/zinc/47/43/51/478474351.db2.gz OVCXEQSBELSNFK-GOSISDBHSA-N 1 0 331.416 2.770 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC000597710120 478474699 /nfs/dbraw/zinc/47/46/99/478474699.db2.gz HEDLKLLZXZSLDR-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000597714141 478475388 /nfs/dbraw/zinc/47/53/88/478475388.db2.gz GTJIGMCIKWIRFC-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597713066 478475776 /nfs/dbraw/zinc/47/57/76/478475776.db2.gz BMNZULDXFBXZEX-GOSISDBHSA-N 1 0 331.416 2.715 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000496011460 478477373 /nfs/dbraw/zinc/47/73/73/478477373.db2.gz CSMCIAIIZAGQGS-OAHLLOKOSA-N 1 0 347.415 2.992 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CC[NH+]2CCCCC2)nn1 ZINC000594653499 478479824 /nfs/dbraw/zinc/47/98/24/478479824.db2.gz PCONNWNRNAWABK-UHFFFAOYSA-N 1 0 335.795 2.857 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000540577918 478481989 /nfs/dbraw/zinc/48/19/89/478481989.db2.gz WNFXLISCTOBIMB-PBHICJAKSA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000581999021 478486779 /nfs/dbraw/zinc/48/67/79/478486779.db2.gz LMWZIHRGVVCFBJ-CHWSQXEVSA-N 1 0 344.358 2.750 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000600725357 478489329 /nfs/dbraw/zinc/48/93/29/478489329.db2.gz JDGPGDQHZMDGCR-JQWIXIFHSA-N 1 0 335.301 2.693 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000491323497 478511433 /nfs/dbraw/zinc/51/14/33/478511433.db2.gz ZPVQKFAUEGFMJZ-XQRVVYSFSA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591299004 478515289 /nfs/dbraw/zinc/51/52/89/478515289.db2.gz WKFLWKQAWYSPDS-KGLIPLIRSA-N 1 0 332.404 2.838 20 5 EFBDRO O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000496085536 478527541 /nfs/dbraw/zinc/52/75/41/478527541.db2.gz SFAJVSATPZQNNU-HNNXBMFYSA-N 1 0 333.388 2.838 20 5 EFBDRO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591354614 478534302 /nfs/dbraw/zinc/53/43/02/478534302.db2.gz CQWPMKRBRFVNDK-UMVBOHGHSA-N 1 0 334.420 2.733 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000491400555 478535344 /nfs/dbraw/zinc/53/53/44/478535344.db2.gz JBSQPRWCGIVKTA-SOFGYWHQSA-N 1 0 335.379 2.739 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591360364 478535577 /nfs/dbraw/zinc/53/55/77/478535577.db2.gz NQVVQELSNMNXDW-OAHLLOKOSA-N 1 0 334.420 2.657 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591360372 478535934 /nfs/dbraw/zinc/53/59/34/478535934.db2.gz OBPCOBLRLPIWTI-HOTGVXAUSA-N 1 0 346.431 2.626 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491402102 478537124 /nfs/dbraw/zinc/53/71/24/478537124.db2.gz RJWKGNSVENXVLT-RYWCDNDXSA-N 1 0 335.379 2.594 20 5 EFBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220436 478542179 /nfs/dbraw/zinc/54/21/79/478542179.db2.gz UBEUYLVRQYPGHF-WBMJQRKESA-N 1 0 340.387 2.751 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268573 478545045 /nfs/dbraw/zinc/54/50/45/478545045.db2.gz NUQXQXOBQJYWFU-SWLSCSKDSA-N 1 0 345.399 2.595 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000563410472 478551825 /nfs/dbraw/zinc/55/18/25/478551825.db2.gz XRKPCDZZJMYQSP-ZBFHGGJFSA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000591442967 478554216 /nfs/dbraw/zinc/55/42/16/478554216.db2.gz VQTQFHZVWXOXLO-NEPJUHHUSA-N 1 0 347.444 2.816 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000541393082 478555860 /nfs/dbraw/zinc/55/58/60/478555860.db2.gz MFPYJNFESHFOCV-CQSZACIVSA-N 1 0 331.416 2.852 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3ncc([N+](=O)[O-])cn3)C2)s1 ZINC000594873635 478570474 /nfs/dbraw/zinc/57/04/74/478570474.db2.gz DQOSZHPWWRVUIO-ZDUSSCGKSA-N 1 0 347.444 2.713 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000591533951 478576080 /nfs/dbraw/zinc/57/60/80/478576080.db2.gz ZSPWHTRXPAUDIQ-SFHVURJKSA-N 1 0 331.416 2.770 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597923689 478578165 /nfs/dbraw/zinc/57/81/65/478578165.db2.gz OLWTTXNTIKZXBD-GFCCVEGCSA-N 1 0 342.399 2.746 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000600942582 478579445 /nfs/dbraw/zinc/57/94/45/478579445.db2.gz FOWTVTNYPBUMDI-GFCCVEGCSA-N 1 0 337.376 2.828 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000597925003 478580179 /nfs/dbraw/zinc/58/01/79/478580179.db2.gz MDBZQTMGDBZNNC-LLVKDONJSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541724224 478583596 /nfs/dbraw/zinc/58/35/96/478583596.db2.gz XKOSRSSQIAWZJF-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741823 478584727 /nfs/dbraw/zinc/58/47/27/478584727.db2.gz ZDBVJGRJEDURSJ-HZPDHXFCSA-N 1 0 340.445 2.783 20 5 EFBDRO C[N@H+](CCCNC(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000600966502 478589508 /nfs/dbraw/zinc/58/95/08/478589508.db2.gz OULROCGPDFZORC-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000563607074 478599282 /nfs/dbraw/zinc/59/92/82/478599282.db2.gz FTRSQKRANXVBSW-CYBMUJFWSA-N 1 0 331.372 2.598 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000591672882 478606195 /nfs/dbraw/zinc/60/61/95/478606195.db2.gz QIXCUWPSUNXIAX-AWEZNQCLSA-N 1 0 341.358 2.577 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591685807 478607363 /nfs/dbraw/zinc/60/73/63/478607363.db2.gz QPMJGCLZGBMYKZ-AWEZNQCLSA-N 1 0 335.429 2.579 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000591740792 478617053 /nfs/dbraw/zinc/61/70/53/478617053.db2.gz HTXLWMIIOLBGLC-XJKSGUPXSA-N 1 0 346.408 2.771 20 5 EFBDRO CSc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000591758206 478621355 /nfs/dbraw/zinc/62/13/55/478621355.db2.gz BUVMSFIYVFJNDY-UHFFFAOYSA-N 1 0 346.412 2.830 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000594999660 478624278 /nfs/dbraw/zinc/62/42/78/478624278.db2.gz FOJKRLVCPITTEE-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCC1(F)F ZINC000591768314 478624939 /nfs/dbraw/zinc/62/49/39/478624939.db2.gz XHLBVSAJWHOZGN-OLZOCXBDSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCCC1(F)F ZINC000591768313 478625119 /nfs/dbraw/zinc/62/51/19/478625119.db2.gz XHLBVSAJWHOZGN-CHWSQXEVSA-N 1 0 344.358 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000595003150 478625622 /nfs/dbraw/zinc/62/56/22/478625622.db2.gz FHEUHIIZXPMQOM-DZGCQCFKSA-N 1 0 338.404 2.840 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000595007344 478627413 /nfs/dbraw/zinc/62/74/13/478627413.db2.gz HJVOKZCCQRWFON-MELADBBJSA-N 1 0 349.431 2.901 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000595012936 478629927 /nfs/dbraw/zinc/62/99/27/478629927.db2.gz GCHZGTAOAMRDBZ-NSHDSACASA-N 1 0 343.374 2.984 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000595018404 478631007 /nfs/dbraw/zinc/63/10/07/478631007.db2.gz NNWWCUHZJNDOOA-OLZOCXBDSA-N 1 0 334.372 2.698 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000595026627 478632687 /nfs/dbraw/zinc/63/26/87/478632687.db2.gz NKLWYNGRXSBEOR-ZDUSSCGKSA-N 1 0 330.384 2.989 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026820 478633245 /nfs/dbraw/zinc/63/32/45/478633245.db2.gz MMWBQNNAZQOOLU-NEPJUHHUSA-N 1 0 335.404 2.653 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000582580520 478633613 /nfs/dbraw/zinc/63/36/13/478633613.db2.gz LCGBUWULTMWGNJ-QLFBSQMISA-N 1 0 333.432 2.935 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000595036593 478637245 /nfs/dbraw/zinc/63/72/45/478637245.db2.gz SMCGUIQBWJIGCZ-DOMZBBRYSA-N 1 0 348.374 2.997 20 5 EFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056413 478643520 /nfs/dbraw/zinc/64/35/20/478643520.db2.gz HBUUZVQFCHOYAI-ZNMIVQPWSA-N 1 0 335.452 2.737 20 5 EFBDRO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000563849467 478644180 /nfs/dbraw/zinc/64/41/80/478644180.db2.gz PPXCRIHEAOYQCM-CYBMUJFWSA-N 1 0 331.416 2.689 20 5 EFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056411 478644228 /nfs/dbraw/zinc/64/42/28/478644228.db2.gz HBUUZVQFCHOYAI-RRFJBIMHSA-N 1 0 335.452 2.737 20 5 EFBDRO CCn1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000595068321 478649881 /nfs/dbraw/zinc/64/98/81/478649881.db2.gz JRFJKWZJKNGGPU-CJNGLKHVSA-N 1 0 329.404 2.707 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571705421 478659051 /nfs/dbraw/zinc/65/90/51/478659051.db2.gz HWVLUWVJEHNKRV-CABCVRRESA-N 1 0 333.432 2.792 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000595098568 478659534 /nfs/dbraw/zinc/65/95/34/478659534.db2.gz BQTXXXNSECLVNC-HKUYNNGSSA-N 1 0 345.443 2.815 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000595100779 478660323 /nfs/dbraw/zinc/66/03/23/478660323.db2.gz IVBVZXAGPWNIAV-WFASDCNBSA-N 1 0 331.416 2.819 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591895247 478680181 /nfs/dbraw/zinc/68/01/81/478680181.db2.gz UZUVHYAFDSLBIZ-AWEZNQCLSA-N 1 0 347.415 2.597 20 5 EFBDRO Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595220889 478691774 /nfs/dbraw/zinc/69/17/74/478691774.db2.gz LOQAXRBNSUBGAN-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000601153161 478693196 /nfs/dbraw/zinc/69/31/96/478693196.db2.gz KLBIUQGCJTYCDS-IBGZPJMESA-N 1 0 344.411 2.995 20 5 EFBDRO [NH3+]C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000595228461 478694099 /nfs/dbraw/zinc/69/40/99/478694099.db2.gz SBQMMZGZISANTI-UHFFFAOYSA-N 1 0 344.318 2.589 20 5 EFBDRO CCOc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000491832222 478701238 /nfs/dbraw/zinc/70/12/38/478701238.db2.gz ORJAYWFFXVMQLB-UHFFFAOYSA-N 1 0 349.431 2.873 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCc1cccs1 ZINC000571908871 478705993 /nfs/dbraw/zinc/70/59/93/478705993.db2.gz IYVHTPYAQSVJBZ-ZDUSSCGKSA-N 1 0 336.413 2.618 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1csc([N+](=O)[O-])c1 ZINC000595266880 478707804 /nfs/dbraw/zinc/70/78/04/478707804.db2.gz BLAAGFSMMQYLSF-ZIAGYGMSSA-N 1 0 349.387 2.671 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571926537 478709086 /nfs/dbraw/zinc/70/90/86/478709086.db2.gz UUGBFDDEGZXYLR-YOEHRIQHSA-N 1 0 331.416 2.993 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598218537 478710062 /nfs/dbraw/zinc/71/00/62/478710062.db2.gz HNSYNSQQHFXEFC-CQSZACIVSA-N 1 0 335.379 2.871 20 5 EFBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000601181879 478710729 /nfs/dbraw/zinc/71/07/29/478710729.db2.gz NAJFWUNZKYRTHO-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598220484 478712033 /nfs/dbraw/zinc/71/20/33/478712033.db2.gz PSWPRLPJLJMUNQ-ZDUSSCGKSA-N 1 0 335.379 2.871 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221847 478713637 /nfs/dbraw/zinc/71/36/37/478713637.db2.gz XPVFOZCZKFLILF-OAHLLOKOSA-N 1 0 349.406 2.800 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491870983 478717435 /nfs/dbraw/zinc/71/74/35/478717435.db2.gz WQRMXQNVQIRNRO-FWPCIQOSSA-N 1 0 335.379 2.547 20 5 EFBDRO CCOC(=O)Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000591947888 478720000 /nfs/dbraw/zinc/72/00/00/478720000.db2.gz ZGXYHRSRVXNDEZ-GOOCMWNKSA-N 1 0 347.415 2.738 20 5 EFBDRO CC(C)[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595296051 478720170 /nfs/dbraw/zinc/72/01/70/478720170.db2.gz WTEGJDPIFKNJQP-UHFFFAOYSA-N 1 0 346.435 2.789 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000598260996 478730426 /nfs/dbraw/zinc/73/04/26/478730426.db2.gz CBPDBXITLPMGNI-CYBMUJFWSA-N 1 0 349.431 2.762 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598264745 478732263 /nfs/dbraw/zinc/73/22/63/478732263.db2.gz QLIWQMVKNDAIOR-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598266409 478733074 /nfs/dbraw/zinc/73/30/74/478733074.db2.gz XNYBWSHXEOYWTB-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000491911653 478735161 /nfs/dbraw/zinc/73/51/61/478735161.db2.gz HIXRJFXJCDHROG-IVFUDNFBSA-N 1 0 331.416 2.939 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491923275 478738781 /nfs/dbraw/zinc/73/87/81/478738781.db2.gz BKNBWVRUHKXWEO-HVHJFMEUSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000491924953 478740085 /nfs/dbraw/zinc/74/00/85/478740085.db2.gz KZOSNBYNENZIQL-OOCSTFOJSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491929208 478743198 /nfs/dbraw/zinc/74/31/98/478743198.db2.gz SRJNZPPHKUGIDN-QWGSZXSUSA-N 1 0 331.416 2.798 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000601250343 478746586 /nfs/dbraw/zinc/74/65/86/478746586.db2.gz LWUBBMDBZZPYDU-OAHLLOKOSA-N 1 0 329.404 2.632 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601251175 478747278 /nfs/dbraw/zinc/74/72/78/478747278.db2.gz SFXRSPZYNCUOMG-UHFFFAOYSA-N 1 0 341.371 2.734 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000595375397 478753494 /nfs/dbraw/zinc/75/34/94/478753494.db2.gz DRHBZGTZDGQUSN-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000543618661 478760981 /nfs/dbraw/zinc/76/09/81/478760981.db2.gz IRYPDOLLOJGRMZ-OLZOCXBDSA-N 1 0 337.395 2.684 20 5 EFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000543708511 478770834 /nfs/dbraw/zinc/77/08/34/478770834.db2.gz XJBDMSVFEABTPA-HNNXBMFYSA-N 1 0 336.388 2.685 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300655 478774260 /nfs/dbraw/zinc/77/42/60/478774260.db2.gz ISPKZEXENZBBDH-MWODSPESSA-N 1 0 336.310 2.956 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000595433924 478779709 /nfs/dbraw/zinc/77/97/09/478779709.db2.gz WWYIIPNUAFYZHK-CVEARBPZSA-N 1 0 339.436 2.746 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595448049 478790420 /nfs/dbraw/zinc/79/04/20/478790420.db2.gz QVSGOTJLRVJETL-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000500229151 478790482 /nfs/dbraw/zinc/79/04/82/478790482.db2.gz NFEDVRRTHNVOGB-RCFWFJCLSA-N 1 0 330.359 2.940 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595452332 478793196 /nfs/dbraw/zinc/79/31/96/478793196.db2.gz IUNRBPQAEYDATI-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000544144162 478811844 /nfs/dbraw/zinc/81/18/44/478811844.db2.gz ZQOYGIQIQMVASS-GDBMZVCRSA-N 1 0 343.383 2.567 20 5 EFBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000595485481 478814767 /nfs/dbraw/zinc/81/47/67/478814767.db2.gz SWRSGAQSYGVBAH-STQMWFEESA-N 1 0 336.310 2.511 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492082491 478815066 /nfs/dbraw/zinc/81/50/66/478815066.db2.gz IUHAADLDTUPJCT-SOIVGHGOSA-N 1 0 335.379 2.690 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492082494 478815550 /nfs/dbraw/zinc/81/55/50/478815550.db2.gz IUHAADLDTUPJCT-VIHMKRCTSA-N 1 0 335.379 2.690 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000544189215 478815828 /nfs/dbraw/zinc/81/58/28/478815828.db2.gz FYUDKRLZAMKGLP-CQSZACIVSA-N 1 0 331.416 2.852 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492089835 478817918 /nfs/dbraw/zinc/81/79/18/478817918.db2.gz PXESROLQBMBUMQ-UEDYQVLESA-N 1 0 335.379 2.736 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583308682 478818142 /nfs/dbraw/zinc/81/81/42/478818142.db2.gz TVGXYMPRONZKMI-MRXNPFEDSA-N 1 0 343.383 2.555 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000595493436 478819014 /nfs/dbraw/zinc/81/90/14/478819014.db2.gz KIPAFKGAKLLADC-GOSISDBHSA-N 1 0 330.359 2.870 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601396561 478819396 /nfs/dbraw/zinc/81/93/96/478819396.db2.gz FXOCPAUFGMXRLA-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000564812393 478819373 /nfs/dbraw/zinc/81/93/73/478819373.db2.gz MMIMHHZOEAZJSV-MUQADHOPSA-N 1 0 342.399 2.523 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592193403 478820940 /nfs/dbraw/zinc/82/09/40/478820940.db2.gz MLRWOYKRDLDQRL-AWEZNQCLSA-N 1 0 347.415 2.957 20 5 EFBDRO CC(C)Oc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000572378607 478823768 /nfs/dbraw/zinc/82/37/68/478823768.db2.gz KYVPIVLFIMQAMR-ZDUSSCGKSA-N 1 0 334.420 2.628 20 5 EFBDRO CC[C@@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C)c1 ZINC000502590032 478824125 /nfs/dbraw/zinc/82/41/25/478824125.db2.gz BKNDJSXXBFTTKN-BEFAXECRSA-N 1 0 341.411 2.980 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595505160 478824183 /nfs/dbraw/zinc/82/41/83/478824183.db2.gz QDNOCAKJQGVEIV-INIZCTEOSA-N 1 0 325.359 2.791 20 5 EFBDRO CCOc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505210 478825975 /nfs/dbraw/zinc/82/59/75/478825975.db2.gz QRUIUYZDLLWADI-GOSISDBHSA-N 1 0 333.432 2.911 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506655 478826197 /nfs/dbraw/zinc/82/61/97/478826197.db2.gz FNMWHLXBXQAYRM-GOSISDBHSA-N 1 0 333.432 2.781 20 5 EFBDRO Cc1noc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)c1[N+](=O)[O-] ZINC000595523195 478833646 /nfs/dbraw/zinc/83/36/46/478833646.db2.gz JPLXFPSNVUCFMZ-UHFFFAOYSA-N 1 0 346.391 2.743 20 5 EFBDRO Cc1noc(CN[C@H](c2cccs2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595522203 478834702 /nfs/dbraw/zinc/83/47/02/478834702.db2.gz JHYRXJFFFQIRSF-CQSZACIVSA-N 1 0 337.401 2.946 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000595534094 478837015 /nfs/dbraw/zinc/83/70/15/478837015.db2.gz BTTLEYJDFYDQJM-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592246860 478839558 /nfs/dbraw/zinc/83/95/58/478839558.db2.gz MADLFPALIFQHOZ-SMDDNHRTSA-N 1 0 335.429 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN(C3CC3)C3(CO)CCC3)o2)cc1 ZINC000595537446 478840181 /nfs/dbraw/zinc/84/01/81/478840181.db2.gz DHXXMNNTBLMAAF-UHFFFAOYSA-N 1 0 344.371 2.524 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000592247092 478840339 /nfs/dbraw/zinc/84/03/39/478840339.db2.gz RIEZITFHRWCCGK-CYBMUJFWSA-N 1 0 333.413 2.880 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592255829 478843477 /nfs/dbraw/zinc/84/34/77/478843477.db2.gz UDRJEIYNYRIGFZ-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255486 478843824 /nfs/dbraw/zinc/84/38/24/478843824.db2.gz QDZRAKJLLMMHSW-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000564880542 478844718 /nfs/dbraw/zinc/84/47/18/478844718.db2.gz RBCUGGDOSAFJEC-UHFFFAOYSA-N 1 0 329.194 2.968 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000503609980 478845376 /nfs/dbraw/zinc/84/53/76/478845376.db2.gz FOZUZUARVNWFKF-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592295872 478855987 /nfs/dbraw/zinc/85/59/87/478855987.db2.gz ISWMMHMXKUPTKS-LBPRGKRZSA-N 1 0 325.434 2.580 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601518207 478861800 /nfs/dbraw/zinc/86/18/00/478861800.db2.gz IYGAIHIDJQBVRD-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000544847877 478869616 /nfs/dbraw/zinc/86/96/16/478869616.db2.gz MJPULIMHQZOKIP-UHFFFAOYSA-N 1 0 335.452 2.969 20 5 EFBDRO O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598509203 478870242 /nfs/dbraw/zinc/87/02/42/478870242.db2.gz JQPVNKPAUKNOAU-INIZCTEOSA-N 1 0 343.358 2.738 20 5 EFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592374446 478871908 /nfs/dbraw/zinc/87/19/08/478871908.db2.gz ICBMXKRCVSVKAG-HNNXBMFYSA-N 1 0 333.413 2.841 20 5 EFBDRO COc1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000595592837 478874672 /nfs/dbraw/zinc/87/46/72/478874672.db2.gz RLUOUJAFWYFJTK-OAHLLOKOSA-N 1 0 348.374 2.778 20 5 EFBDRO CC1(C)C[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592427659 478892009 /nfs/dbraw/zinc/89/20/09/478892009.db2.gz NPBOOXARWVCCDO-UHFFFAOYSA-N 1 0 332.429 2.902 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428809 478892120 /nfs/dbraw/zinc/89/21/20/478892120.db2.gz VOUZLIILTHAXHK-LRDDRELGSA-N 1 0 347.440 2.871 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598559335 478893595 /nfs/dbraw/zinc/89/35/95/478893595.db2.gz XSEVGGJDAQESRS-GDBMZVCRSA-N 1 0 345.443 2.937 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598559341 478894210 /nfs/dbraw/zinc/89/42/10/478894210.db2.gz XSEVGGJDAQESRS-ZBFHGGJFSA-N 1 0 345.443 2.937 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560416 478894777 /nfs/dbraw/zinc/89/47/77/478894777.db2.gz LKUQOLGPJBLCDX-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1cc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000583625858 478899084 /nfs/dbraw/zinc/89/90/84/478899084.db2.gz PYKGVPKGLVKTSN-UHFFFAOYSA-N 1 0 341.367 2.810 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598569203 478900474 /nfs/dbraw/zinc/90/04/74/478900474.db2.gz BPTVDCFVABKWEJ-HNNXBMFYSA-N 1 0 333.432 2.962 20 5 EFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000507212911 478910134 /nfs/dbraw/zinc/91/01/34/478910134.db2.gz NXUSBMJDTFKBEM-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000601620237 478911792 /nfs/dbraw/zinc/91/17/92/478911792.db2.gz IIGOAQABFQHNLG-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CCC(CC)[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])[NH+](C)C ZINC000598585994 478912493 /nfs/dbraw/zinc/91/24/93/478912493.db2.gz BURHDRLJFLSYMU-ZDUSSCGKSA-N 1 0 338.408 2.555 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595656568 478919084 /nfs/dbraw/zinc/91/90/84/478919084.db2.gz CGOOVRSGCVQGIN-GOSISDBHSA-N 1 0 342.395 2.701 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000592507033 478920446 /nfs/dbraw/zinc/92/04/46/478920446.db2.gz XIIQDYSKXMBQMJ-UHFFFAOYSA-N 1 0 332.360 2.520 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507438365 478920445 /nfs/dbraw/zinc/92/04/45/478920445.db2.gz CXIBVXIAVVQCBG-MGPQQGTHSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678681 478929839 /nfs/dbraw/zinc/92/98/39/478929839.db2.gz SVHFYZFFSHSHCM-BXUZGUMPSA-N 1 0 326.368 2.725 20 5 EFBDRO C[C@@]1(CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000545397546 478931291 /nfs/dbraw/zinc/93/12/91/478931291.db2.gz GFNFJQYQIIGBDR-KRWDZBQOSA-N 1 0 331.372 2.639 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595679789 478931497 /nfs/dbraw/zinc/93/14/97/478931497.db2.gz YGRFYAHFXQWADZ-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595679790 478932705 /nfs/dbraw/zinc/93/27/05/478932705.db2.gz YGRFYAHFXQWADZ-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000595684914 478936399 /nfs/dbraw/zinc/93/63/99/478936399.db2.gz SEERCIPGLOMRFL-SFHVURJKSA-N 1 0 346.383 2.960 20 5 EFBDRO CCOC(=O)c1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000583784956 478940192 /nfs/dbraw/zinc/94/01/92/478940192.db2.gz FHDXADKLTPIWFM-AAEUAGOBSA-N 1 0 333.388 2.809 20 5 EFBDRO CC1([NH3+])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592543830 478940285 /nfs/dbraw/zinc/94/02/85/478940285.db2.gz OYHYJGZKCROAEM-UHFFFAOYSA-N 1 0 343.836 2.680 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CCO ZINC000595695893 478941087 /nfs/dbraw/zinc/94/10/87/478941087.db2.gz IYKGEYXYXBUJNW-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794058 478941135 /nfs/dbraw/zinc/94/11/35/478941135.db2.gz JZSAKVAIUCGZOA-CZUORRHYSA-N 1 0 338.429 2.557 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492344331 478941294 /nfs/dbraw/zinc/94/12/94/478941294.db2.gz XIAFKAUWTRLWEO-IYNGYCSASA-N 1 0 349.406 2.936 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794057 478941759 /nfs/dbraw/zinc/94/17/59/478941759.db2.gz JZSAKVAIUCGZOA-CJNGLKHVSA-N 1 0 338.429 2.557 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567199 478943394 /nfs/dbraw/zinc/94/33/94/478943394.db2.gz AIVQWWUTRAHZFU-GFCCVEGCSA-N 1 0 337.807 2.582 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592567396 478943538 /nfs/dbraw/zinc/94/35/38/478943538.db2.gz BLEYJSCAQNBINX-CQSZACIVSA-N 1 0 331.416 2.663 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568658 478944688 /nfs/dbraw/zinc/94/46/88/478944688.db2.gz NHDQOFLVAHSAMR-STQMWFEESA-N 1 0 349.456 2.866 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592568177 478944816 /nfs/dbraw/zinc/94/48/16/478944816.db2.gz AQXODKAGNGQYJJ-NXEZZACHSA-N 1 0 334.401 2.574 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647756 478945010 /nfs/dbraw/zinc/94/50/10/478945010.db2.gz FDEHEKQHRYNFLY-BZPMIXESSA-N 1 0 346.387 2.656 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598649988 478946519 /nfs/dbraw/zinc/94/65/19/478946519.db2.gz WGZIKRDGELSBDI-OAHLLOKOSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595706040 478950516 /nfs/dbraw/zinc/95/05/16/478950516.db2.gz WTYHEWZBADMDJS-CJNGLKHVSA-N 1 0 349.431 2.715 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598666894 478953803 /nfs/dbraw/zinc/95/38/03/478953803.db2.gz BAINFSHZEVDEQX-MEDUHNTESA-N 1 0 331.397 2.763 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598664311 478954201 /nfs/dbraw/zinc/95/42/01/478954201.db2.gz DSQZAASMZMHBKE-CQSZACIVSA-N 1 0 331.416 2.866 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598666895 478954289 /nfs/dbraw/zinc/95/42/89/478954289.db2.gz BAINFSHZEVDEQX-ZBEGNZNMSA-N 1 0 331.397 2.763 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598668289 478955243 /nfs/dbraw/zinc/95/52/43/478955243.db2.gz SDHVVJOKVLSFSQ-HZMBPMFUSA-N 1 0 343.305 2.567 20 5 EFBDRO CC(C)Oc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000565226886 478957428 /nfs/dbraw/zinc/95/74/28/478957428.db2.gz RPWPDLXYWCYISD-KBPBESRZSA-N 1 0 334.420 2.840 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000601702746 478961106 /nfs/dbraw/zinc/96/11/06/478961106.db2.gz CTHVJNDMQWADQO-HIFRSBDPSA-N 1 0 343.383 2.686 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCCC1 ZINC000511055066 478973838 /nfs/dbraw/zinc/97/38/38/478973838.db2.gz UXMCLONMBLZLOT-BBRMVZONSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511135478 478974751 /nfs/dbraw/zinc/97/47/51/478974751.db2.gz GNXQIRYIAXAHBC-QGZVFWFLSA-N 1 0 344.411 2.817 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000595750954 478975313 /nfs/dbraw/zinc/97/53/13/478975313.db2.gz DOCRCLIPTFUXIZ-OAHLLOKOSA-N 1 0 334.351 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573020627 478975394 /nfs/dbraw/zinc/97/53/94/478975394.db2.gz QQDZSARMIHXEBQ-KBXCAEBGSA-N 1 0 345.443 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(Cc2ccsc2)C1 ZINC000598705953 478982455 /nfs/dbraw/zinc/98/24/55/478982455.db2.gz NVFAXZUNLFWVIX-OAHLLOKOSA-N 1 0 348.424 2.571 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000583979099 478984047 /nfs/dbraw/zinc/98/40/47/478984047.db2.gz MFYZDHYWZMKKMR-KBXCAEBGSA-N 1 0 346.431 2.783 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492435550 478985748 /nfs/dbraw/zinc/98/57/48/478985748.db2.gz FQENBLPTOFRREP-FWPCIQOSSA-N 1 0 335.379 2.595 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565373402 478992046 /nfs/dbraw/zinc/99/20/46/478992046.db2.gz VBCZCESZNTWYMC-CJISVDGZSA-N 1 0 345.443 2.795 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000584006351 478994497 /nfs/dbraw/zinc/99/44/97/478994497.db2.gz TYSXQKWSVNYEMI-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC3(CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000595807600 479010744 /nfs/dbraw/zinc/01/07/44/479010744.db2.gz RHKLRQRALSHXQW-UHFFFAOYSA-N 1 0 348.399 2.817 20 5 EFBDRO O=C(CC[NH+]1CCC2(CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595809299 479011070 /nfs/dbraw/zinc/01/10/70/479011070.db2.gz ZQBOVTLJCZNLIQ-UHFFFAOYSA-N 1 0 345.399 2.759 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000584159657 479034082 /nfs/dbraw/zinc/03/40/82/479034082.db2.gz QAZJGBHNGAFRDE-ZDUSSCGKSA-N 1 0 330.310 2.541 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000601878997 479053620 /nfs/dbraw/zinc/05/36/20/479053620.db2.gz DUOUPRFLEDLBTJ-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO CCCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592828034 479063614 /nfs/dbraw/zinc/06/36/14/479063614.db2.gz ADLILAVYQJGXPD-JSGCOSHPSA-N 1 0 337.395 2.780 20 5 EFBDRO CCCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592831472 479065184 /nfs/dbraw/zinc/06/51/84/479065184.db2.gz MVAVEEQHORMHOL-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CC1(C)C ZINC000595911461 479065506 /nfs/dbraw/zinc/06/55/06/479065506.db2.gz WOISVLTWUSTBFZ-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCn2ccnc2)n1 ZINC000565755279 479075835 /nfs/dbraw/zinc/07/58/35/479075835.db2.gz ISSXOKHJOJEKHR-GJZGRUSLSA-N 1 0 332.408 2.542 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935951 479079244 /nfs/dbraw/zinc/07/92/44/479079244.db2.gz LBZXHDYMOFHEJQ-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595942373 479081068 /nfs/dbraw/zinc/08/10/68/479081068.db2.gz WHRXIOPEYAOTDN-YGRLFVJLSA-N 1 0 345.321 2.622 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000598913865 479083856 /nfs/dbraw/zinc/08/38/56/479083856.db2.gz QHFBBIOQIFOBFI-GMTAPVOTSA-N 1 0 338.795 2.758 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000598914458 479083896 /nfs/dbraw/zinc/08/38/96/479083896.db2.gz FHWDTBYOKDAWKZ-CYBMUJFWSA-N 1 0 326.784 2.887 20 5 EFBDRO CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000598915117 479084353 /nfs/dbraw/zinc/08/43/53/479084353.db2.gz IETLLDVWXLEHOX-UHFFFAOYSA-N 1 0 326.784 2.759 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598915789 479084505 /nfs/dbraw/zinc/08/45/05/479084505.db2.gz OXGBKHWDJYEXII-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000598916252 479085051 /nfs/dbraw/zinc/08/50/51/479085051.db2.gz UUNPHPIDAXMZDD-JOYOIKCWSA-N 1 0 326.784 2.839 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915177 479085060 /nfs/dbraw/zinc/08/50/60/479085060.db2.gz JHSSNGGQTOTHNB-UHFFFAOYSA-N 1 0 326.784 2.759 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000566083744 479084965 /nfs/dbraw/zinc/08/49/65/479084965.db2.gz QDBNYECHFPVUSS-OAHLLOKOSA-N 1 0 349.434 2.848 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000598915999 479085086 /nfs/dbraw/zinc/08/50/86/479085086.db2.gz SMIPJKQDFBRZEM-NXEZZACHSA-N 1 0 326.784 2.758 20 5 EFBDRO CNc1ccc(-c2nc(Cc3ccc(C)nc3)no2)cc1[N+](=O)[O-] ZINC000547051691 479086104 /nfs/dbraw/zinc/08/61/04/479086104.db2.gz AAHWNPIORLMBAM-UHFFFAOYSA-N 1 0 325.328 2.981 20 5 EFBDRO C[C@]1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992411 479089094 /nfs/dbraw/zinc/08/90/94/479089094.db2.gz QIUINHJCSVSVOS-SFHVURJKSA-N 1 0 340.383 2.820 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000584325681 479090954 /nfs/dbraw/zinc/09/09/54/479090954.db2.gz OIXMMKDYMOHHRU-LSDHHAIUSA-N 1 0 333.432 2.889 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000547310748 479104426 /nfs/dbraw/zinc/10/44/26/479104426.db2.gz AUZDQPBNMGOTDO-UHFFFAOYSA-N 1 0 336.436 2.831 20 5 EFBDRO O=c1[nH]ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596055530 479110937 /nfs/dbraw/zinc/11/09/37/479110937.db2.gz WJIJJBRDTWWOPD-CYBMUJFWSA-N 1 0 332.360 2.928 20 5 EFBDRO O=c1[nH]ccc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596056416 479111346 /nfs/dbraw/zinc/11/13/46/479111346.db2.gz ZDDQYJDYTLZMTG-UHFFFAOYSA-N 1 0 328.372 2.772 20 5 EFBDRO CCCCn1nnnc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673937 479117183 /nfs/dbraw/zinc/11/71/83/479117183.db2.gz VRSNVINQFWHWIB-OAHLLOKOSA-N 1 0 344.419 2.761 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000547710550 479119374 /nfs/dbraw/zinc/11/93/74/479119374.db2.gz ABDQMNOTOKPPSU-CQSZACIVSA-N 1 0 349.434 2.753 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCCC1 ZINC000547746015 479120043 /nfs/dbraw/zinc/12/00/43/479120043.db2.gz XDWVMNLEYUJCNK-AWEZNQCLSA-N 1 0 349.434 2.895 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596074569 479121857 /nfs/dbraw/zinc/12/18/57/479121857.db2.gz VMAOKFIFBWKHIV-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)[NH+](C)C ZINC000596072212 479121913 /nfs/dbraw/zinc/12/19/13/479121913.db2.gz ZSJFZVXVCMVXJT-MRXNPFEDSA-N 1 0 336.436 2.733 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000584404787 479123495 /nfs/dbraw/zinc/12/34/95/479123495.db2.gz ADDRZXNNOWJTHC-UHFFFAOYSA-N 1 0 327.812 2.578 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077169 479124475 /nfs/dbraw/zinc/12/44/75/479124475.db2.gz LRYHUAJOGSHJGO-OKILXGFUSA-N 1 0 348.447 2.864 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000584415345 479127442 /nfs/dbraw/zinc/12/74/42/479127442.db2.gz DYYMPMXRMJNJIF-PXAZEXFGSA-N 1 0 329.400 2.573 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000584415346 479127532 /nfs/dbraw/zinc/12/75/32/479127532.db2.gz DYYMPMXRMJNJIF-SJCJKPOMSA-N 1 0 329.400 2.573 20 5 EFBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000596086575 479129606 /nfs/dbraw/zinc/12/96/06/479129606.db2.gz RQPOKIZKGZIHBV-UHFFFAOYSA-N 1 0 344.415 2.710 20 5 EFBDRO O=C1NCCc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC000584420971 479130182 /nfs/dbraw/zinc/13/01/82/479130182.db2.gz YLCRLLPQIZAPQZ-QGZVFWFLSA-N 1 0 337.379 2.658 20 5 EFBDRO COC(=O)c1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000602010168 479134288 /nfs/dbraw/zinc/13/42/88/479134288.db2.gz DORZETRAZMLTSP-UHFFFAOYSA-N 1 0 345.399 2.832 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000602014908 479136975 /nfs/dbraw/zinc/13/69/75/479136975.db2.gz WUOUFCXDKPPOST-LBPRGKRZSA-N 1 0 331.372 2.879 20 5 EFBDRO C[C@H](C(=O)Nc1nc2c(s1)CN(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780967 479141248 /nfs/dbraw/zinc/14/12/48/479141248.db2.gz JKKWFDKDBUTOKR-JTQLQIEISA-N 1 0 346.412 2.781 20 5 EFBDRO C[C@@](O)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000573795900 479144371 /nfs/dbraw/zinc/14/43/71/479144371.db2.gz SWCUPUDCCHWTKD-LLVKDONJSA-N 1 0 326.702 2.694 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593056934 479148156 /nfs/dbraw/zinc/14/81/56/479148156.db2.gz BMGWDODWSQFXEK-GOEBONIOSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593057647 479149002 /nfs/dbraw/zinc/14/90/02/479149002.db2.gz VHEAERDKZNLLGP-CQSZACIVSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000599073542 479150873 /nfs/dbraw/zinc/15/08/73/479150873.db2.gz JDUGIWJRZGQLQR-JGFGOQIWSA-N 1 0 329.356 2.876 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596127281 479153110 /nfs/dbraw/zinc/15/31/10/479153110.db2.gz WKVKLVPWQGQYRU-KBPBESRZSA-N 1 0 334.420 2.786 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596126709 479153150 /nfs/dbraw/zinc/15/31/50/479153150.db2.gz MPWASYROBWULFU-KGLIPLIRSA-N 1 0 333.436 2.663 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596126708 479153669 /nfs/dbraw/zinc/15/36/69/479153669.db2.gz MPWASYROBWULFU-KBPBESRZSA-N 1 0 333.436 2.663 20 5 EFBDRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599082912 479154073 /nfs/dbraw/zinc/15/40/73/479154073.db2.gz FIJIMKHYENKGAE-MSRIBSCDSA-N 1 0 329.322 2.918 20 5 EFBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596130642 479155844 /nfs/dbraw/zinc/15/58/44/479155844.db2.gz VILWKZBZTFCJDO-GFCCVEGCSA-N 1 0 325.434 2.878 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCN(C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686036 479155975 /nfs/dbraw/zinc/15/59/75/479155975.db2.gz FUKRQBWTTSCMJF-CQSZACIVSA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1ccsc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687287 479156388 /nfs/dbraw/zinc/15/63/88/479156388.db2.gz YODCIWWAQBBFPU-CQSZACIVSA-N 1 0 336.413 2.537 20 5 EFBDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000593080063 479161732 /nfs/dbraw/zinc/16/17/32/479161732.db2.gz DFQIHUQTUQMBEV-INIZCTEOSA-N 1 0 344.415 2.897 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144025 479161807 /nfs/dbraw/zinc/16/18/07/479161807.db2.gz ACNLSSSAJWGXIK-OAHLLOKOSA-N 1 0 342.399 2.654 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593080303 479162143 /nfs/dbraw/zinc/16/21/43/479162143.db2.gz LREBLADQXIEZIM-UHFFFAOYSA-N 1 0 333.388 2.854 20 5 EFBDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596150689 479165388 /nfs/dbraw/zinc/16/53/88/479165388.db2.gz JNNOVVRHZUICKU-UHFFFAOYSA-N 1 0 327.450 2.902 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596163376 479172233 /nfs/dbraw/zinc/17/22/33/479172233.db2.gz SNMGZPJCDOCIAU-TZMCWYRMSA-N 1 0 328.372 2.770 20 5 EFBDRO COc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000596167474 479176112 /nfs/dbraw/zinc/17/61/12/479176112.db2.gz HXISZXUCBMAJSS-CQSZACIVSA-N 1 0 335.404 2.577 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000602997155 479186286 /nfs/dbraw/zinc/18/62/86/479186286.db2.gz DMFRTZPUZAENIS-BBWFWOEESA-N 1 0 348.399 2.587 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000610803592 479192700 /nfs/dbraw/zinc/19/27/00/479192700.db2.gz LYCPKMAUZGPDFI-GUYCJALGSA-N 1 0 344.415 2.820 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593129664 479195332 /nfs/dbraw/zinc/19/53/32/479195332.db2.gz SRFSYNVHHBLVCF-UONOGXRCSA-N 1 0 338.791 2.879 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000596209654 479200651 /nfs/dbraw/zinc/20/06/51/479200651.db2.gz ARTOLSYBNJDXKU-UHFFFAOYSA-N 1 0 347.806 2.537 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOC(C)(C)C ZINC000610859804 479211959 /nfs/dbraw/zinc/21/19/59/479211959.db2.gz MSZQOBBWOANBHK-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCC3)C1)OCCO2 ZINC000610860093 479212317 /nfs/dbraw/zinc/21/23/17/479212317.db2.gz KDTZUSMHIPZILI-ZDUSSCGKSA-N 1 0 334.372 2.557 20 5 EFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000596247933 479222246 /nfs/dbraw/zinc/22/22/46/479222246.db2.gz SZGJXIXHKDPIGU-UHFFFAOYSA-N 1 0 330.363 2.794 20 5 EFBDRO CCc1nn(C)c(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596252235 479224843 /nfs/dbraw/zinc/22/48/43/479224843.db2.gz HUPUFSDTVUVYKS-UHFFFAOYSA-N 1 0 343.431 2.649 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593186888 479228358 /nfs/dbraw/zinc/22/83/58/479228358.db2.gz AJSCCIVIEHPIBQ-UPJWGTAASA-N 1 0 335.404 2.547 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593189261 479230475 /nfs/dbraw/zinc/23/04/75/479230475.db2.gz ZIYFAJCYNNXZND-GMTAPVOTSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593189641 479230873 /nfs/dbraw/zinc/23/08/73/479230873.db2.gz WNBMKHLTFFSANT-XQQFMLRXSA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593188233 479230975 /nfs/dbraw/zinc/23/09/75/479230975.db2.gz ZDAVJITUFIDNCR-XQQFMLRXSA-N 1 0 346.431 2.722 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593190711 479232400 /nfs/dbraw/zinc/23/24/00/479232400.db2.gz OISUPUUAKNQYSZ-MCIONIFRSA-N 1 0 349.431 2.935 20 5 EFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000596270321 479232653 /nfs/dbraw/zinc/23/26/53/479232653.db2.gz ZWJMSNIKZSMFEA-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO C[C@H](Cc1ccncc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574191932 479237966 /nfs/dbraw/zinc/23/79/66/479237966.db2.gz NKHILDHTYOUUEY-CYBMUJFWSA-N 1 0 328.372 2.539 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000574185967 479238601 /nfs/dbraw/zinc/23/86/01/479238601.db2.gz DDZPLHXZOJDUBI-LLVKDONJSA-N 1 0 333.392 2.776 20 5 EFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574203945 479241277 /nfs/dbraw/zinc/24/12/77/479241277.db2.gz IQYVPLAZPQZIMF-KGLIPLIRSA-N 1 0 336.436 2.630 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000557118336 479257363 /nfs/dbraw/zinc/25/73/63/479257363.db2.gz YHCJSZLGQNHUJH-KEYYUXOJSA-N 1 0 331.416 2.784 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596373531 479271084 /nfs/dbraw/zinc/27/10/84/479271084.db2.gz PNKBMNBUIKPGKH-GTVBZTTRSA-N 1 0 347.440 2.975 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574495932 479297221 /nfs/dbraw/zinc/29/72/21/479297221.db2.gz MWORPZGILRRLQP-CQSZACIVSA-N 1 0 333.432 2.935 20 5 EFBDRO Cc1c(Cn2cc(C[NH2+]C3CCCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603195308 479297596 /nfs/dbraw/zinc/29/75/96/479297596.db2.gz GDRLFQYENCXULV-UHFFFAOYSA-N 1 0 329.404 2.965 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000611162590 479298404 /nfs/dbraw/zinc/29/84/04/479298404.db2.gz ATRNLYATZLOMLK-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596458313 479302670 /nfs/dbraw/zinc/30/26/70/479302670.db2.gz HLARQHLLHHKJKI-IUODEOHRSA-N 1 0 340.383 2.556 20 5 EFBDRO Cc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596458317 479303039 /nfs/dbraw/zinc/30/30/39/479303039.db2.gz HLARQHLLHHKJKI-WFASDCNBSA-N 1 0 340.383 2.556 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611178567 479303125 /nfs/dbraw/zinc/30/31/25/479303125.db2.gz XUQWXJMHNPTQOY-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO COc1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000603206278 479304295 /nfs/dbraw/zinc/30/42/95/479304295.db2.gz PFWKQLPSBIBOOT-UHFFFAOYSA-N 1 0 345.403 2.666 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000611185013 479306455 /nfs/dbraw/zinc/30/64/55/479306455.db2.gz AMLGIYFDJZGSHY-UHFFFAOYSA-N 1 0 333.363 2.808 20 5 EFBDRO CC[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231502 479313276 /nfs/dbraw/zinc/31/32/76/479313276.db2.gz QJTRMVOJFUCHGK-LLVKDONJSA-N 1 0 329.282 2.663 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611218322 479315011 /nfs/dbraw/zinc/31/50/11/479315011.db2.gz GIFKSCYCMHYHKI-OKILXGFUSA-N 1 0 331.416 2.959 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611224808 479315605 /nfs/dbraw/zinc/31/56/05/479315605.db2.gz XHUKLXOHJUAOGM-CYBMUJFWSA-N 1 0 342.399 2.746 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000596501367 479318881 /nfs/dbraw/zinc/31/88/81/479318881.db2.gz NRPOXLFBBFEDBM-CYBMUJFWSA-N 1 0 326.784 2.710 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1O ZINC000574633131 479320515 /nfs/dbraw/zinc/32/05/15/479320515.db2.gz DAKKRUYMCYVVAU-UONOGXRCSA-N 1 0 346.387 2.779 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000593392993 479323028 /nfs/dbraw/zinc/32/30/28/479323028.db2.gz XLMGFTCYNBBJBU-UHFFFAOYSA-N 1 0 337.395 2.659 20 5 EFBDRO C[N@@H+]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602425834 479323969 /nfs/dbraw/zinc/32/39/69/479323969.db2.gz VVYSRZIAKIWGHM-UHFFFAOYSA-N 1 0 334.239 2.556 20 5 EFBDRO CCCC(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611261243 479327437 /nfs/dbraw/zinc/32/74/37/479327437.db2.gz ZLWOQZQLPGQNKT-VMPITWQZSA-N 1 0 331.416 2.989 20 5 EFBDRO CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602430697 479327856 /nfs/dbraw/zinc/32/78/56/479327856.db2.gz OGDGAUPMHUIZOH-UHFFFAOYSA-N 1 0 345.321 2.572 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602433534 479329199 /nfs/dbraw/zinc/32/91/99/479329199.db2.gz MMECTUUUWKOPCU-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574689079 479329457 /nfs/dbraw/zinc/32/94/57/479329457.db2.gz QUKQAHYIZINTOU-LSDHHAIUSA-N 1 0 333.432 2.937 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000611271190 479331945 /nfs/dbraw/zinc/33/19/45/479331945.db2.gz UFRUEKZLMXECQI-NSHDSACASA-N 1 0 329.347 2.722 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273780 479333718 /nfs/dbraw/zinc/33/37/18/479333718.db2.gz QYYWFGILDZKSHQ-HIFRSBDPSA-N 1 0 349.431 2.671 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274529 479333885 /nfs/dbraw/zinc/33/38/85/479333885.db2.gz KPUWTZIQIBGCEZ-CQSZACIVSA-N 1 0 349.431 2.530 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273710 479334473 /nfs/dbraw/zinc/33/44/73/479334473.db2.gz WQFRCTMHPXNLMJ-UHFFFAOYSA-N 1 0 336.388 2.615 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593421691 479334548 /nfs/dbraw/zinc/33/45/48/479334548.db2.gz AOPPHEPHNDWLIJ-UHFFFAOYSA-N 1 0 337.395 2.513 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273779 479334700 /nfs/dbraw/zinc/33/47/00/479334700.db2.gz QYYWFGILDZKSHQ-DZGCQCFKSA-N 1 0 349.431 2.671 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(C)COC1 ZINC000599571733 479337181 /nfs/dbraw/zinc/33/71/81/479337181.db2.gz SUUMHTQQMFDOGZ-LLVKDONJSA-N 1 0 332.360 2.674 20 5 EFBDRO Cc1nn(CC[N@@H+](C)Cc2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000603323429 479345591 /nfs/dbraw/zinc/34/55/91/479345591.db2.gz BPWARIJPETYPDK-UHFFFAOYSA-N 1 0 325.372 2.780 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472800 479352391 /nfs/dbraw/zinc/35/23/91/479352391.db2.gz LKIMXBGKZSQGFV-LLVKDONJSA-N 1 0 331.338 2.997 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472812 479352656 /nfs/dbraw/zinc/35/26/56/479352656.db2.gz LKIMXBGKZSQGFV-NSHDSACASA-N 1 0 331.338 2.997 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000602483658 479361075 /nfs/dbraw/zinc/36/10/75/479361075.db2.gz KMDQQOUQYOIQEU-UHFFFAOYSA-N 1 0 348.321 2.587 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000602489076 479366118 /nfs/dbraw/zinc/36/61/18/479366118.db2.gz FBRMKPJFNLAQER-KGLIPLIRSA-N 1 0 343.358 2.548 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000602494668 479368794 /nfs/dbraw/zinc/36/87/94/479368794.db2.gz HFFRCDSHSLJANT-STQMWFEESA-N 1 0 335.379 2.586 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000611413620 479371866 /nfs/dbraw/zinc/37/18/66/479371866.db2.gz IILGMQMRIXFYOS-TZMCWYRMSA-N 1 0 325.434 2.836 20 5 EFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603402140 479372315 /nfs/dbraw/zinc/37/23/15/479372315.db2.gz NBTDNGPZSNAGGZ-GFCCVEGCSA-N 1 0 339.823 2.938 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602508255 479373208 /nfs/dbraw/zinc/37/32/08/479373208.db2.gz LPYAEOCSICVYSI-JTQLQIEISA-N 1 0 328.294 2.988 20 5 EFBDRO C[C@@H]1CN(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000602508126 479373325 /nfs/dbraw/zinc/37/33/25/479373325.db2.gz SLTVPLRWDFMELG-GASCZTMLSA-N 1 0 335.448 2.615 20 5 EFBDRO CCOc1cc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603404443 479373652 /nfs/dbraw/zinc/37/36/52/479373652.db2.gz ZHGPPDXTCZXDQQ-CQSZACIVSA-N 1 0 349.431 2.683 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000603412938 479376839 /nfs/dbraw/zinc/37/68/39/479376839.db2.gz HYEFSMSQNZBYMC-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO CC(C)C([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000611434350 479378989 /nfs/dbraw/zinc/37/89/89/479378989.db2.gz MKSLRRYOQFPZPV-UHFFFAOYSA-N 1 0 337.376 2.532 20 5 EFBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602529115 479382937 /nfs/dbraw/zinc/38/29/37/479382937.db2.gz QJRNTNZXLCALPQ-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO CC(C)[N@H+](C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602529094 479383287 /nfs/dbraw/zinc/38/32/87/479383287.db2.gz SVQBMXMHALQYTF-UHFFFAOYSA-N 1 0 336.255 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000602535358 479385489 /nfs/dbraw/zinc/38/54/89/479385489.db2.gz ZEQIZHUYSXRGNP-UHFFFAOYSA-N 1 0 348.424 2.591 20 5 EFBDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602533489 479385790 /nfs/dbraw/zinc/38/57/90/479385790.db2.gz HKZXLXCCUDTVPS-MRVPVSSYSA-N 1 0 333.266 2.793 20 5 EFBDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602533490 479386510 /nfs/dbraw/zinc/38/65/10/479386510.db2.gz HKZXLXCCUDTVPS-QMMMGPOBSA-N 1 0 333.266 2.793 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542474 479390038 /nfs/dbraw/zinc/39/00/38/479390038.db2.gz YHYRZVAGQOGCGJ-NWDGAFQWSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542476 479390076 /nfs/dbraw/zinc/39/00/76/479390076.db2.gz YHYRZVAGQOGCGJ-VXGBXAGGSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602545937 479390821 /nfs/dbraw/zinc/39/08/21/479390821.db2.gz SINJMCHLMUJIOQ-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO C[C@@](O)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602546983 479391119 /nfs/dbraw/zinc/39/11/19/479391119.db2.gz VTMHHTKWBIUJHH-LLVKDONJSA-N 1 0 335.223 2.669 20 5 EFBDRO O=C(C1CCC1)N(CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602545772 479391799 /nfs/dbraw/zinc/39/17/99/479391799.db2.gz PQLINEYEJINTLA-UHFFFAOYSA-N 1 0 345.443 2.908 20 5 EFBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556736 479395231 /nfs/dbraw/zinc/39/52/31/479395231.db2.gz MHNRGPIRDKOJRN-QPUJVOFHSA-N 1 0 338.351 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3c(cn2)OCCO3)cc1 ZINC000602558530 479396975 /nfs/dbraw/zinc/39/69/75/479396975.db2.gz CFUXUWUFJCTIPB-UHFFFAOYSA-N 1 0 343.383 2.874 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000575060728 479397271 /nfs/dbraw/zinc/39/72/71/479397271.db2.gz LFCITHAQFURVDH-UWVGGRQHSA-N 1 0 334.401 2.574 20 5 EFBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569270 479402502 /nfs/dbraw/zinc/40/25/02/479402502.db2.gz OQKNLSLGCYRIDN-AUADJRAKSA-N 1 0 338.351 2.860 20 5 EFBDRO CC(C)OCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602571983 479403709 /nfs/dbraw/zinc/40/37/09/479403709.db2.gz IHPRSGQCYVWYQW-UHFFFAOYSA-N 1 0 335.448 2.616 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602574547 479404809 /nfs/dbraw/zinc/40/48/09/479404809.db2.gz BCJOEFKZXXCIMN-AWEZNQCLSA-N 1 0 334.420 2.506 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000611539861 479408982 /nfs/dbraw/zinc/40/89/82/479408982.db2.gz NMASFTQLMHKSBI-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602583208 479409995 /nfs/dbraw/zinc/40/99/95/479409995.db2.gz UVYRKSRTYNTFCM-AFAVFJNCSA-N 1 0 348.447 2.608 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000575171534 479414017 /nfs/dbraw/zinc/41/40/17/479414017.db2.gz BIHXMPBFXPICCO-CABCVRRESA-N 1 0 331.416 2.910 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593656248 479414448 /nfs/dbraw/zinc/41/44/48/479414448.db2.gz DZNLNHDSUKCXIN-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602606349 479419833 /nfs/dbraw/zinc/41/98/33/479419833.db2.gz CVDQQSBUBKNRGP-HUUCEWRRSA-N 1 0 348.447 2.753 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)COCC1CC1 ZINC000593682137 479421962 /nfs/dbraw/zinc/42/19/62/479421962.db2.gz NVDBUMSWSTVVKA-OLZOCXBDSA-N 1 0 335.404 2.717 20 5 EFBDRO CCN1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000593684794 479422887 /nfs/dbraw/zinc/42/28/87/479422887.db2.gz AZUBTZAZEHNQBV-ZDUSSCGKSA-N 1 0 343.383 2.813 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)CCF)o2)c([N+](=O)[O-])c1 ZINC000593690495 479424542 /nfs/dbraw/zinc/42/45/42/479424542.db2.gz ZYTOIAIKDFVJJK-LLVKDONJSA-N 1 0 338.335 2.674 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000602616495 479425725 /nfs/dbraw/zinc/42/57/25/479425725.db2.gz JSRSAEDNZAKGBA-CYBMUJFWSA-N 1 0 334.294 2.509 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593694979 479425788 /nfs/dbraw/zinc/42/57/88/479425788.db2.gz VMHXEHGOJZLJNS-IEZWGBDMSA-N 1 0 348.443 2.827 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000593722643 479435190 /nfs/dbraw/zinc/43/51/90/479435190.db2.gz JHUZISAKTTUJKC-SCLBCKFNSA-N 1 0 343.427 2.963 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593724437 479435539 /nfs/dbraw/zinc/43/55/39/479435539.db2.gz WIBRLUBOPSHDSQ-MLGOLLRUSA-N 1 0 331.416 2.775 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-] ZINC000593723418 479435593 /nfs/dbraw/zinc/43/55/93/479435593.db2.gz NCYRVGVYMDBJLJ-OLZOCXBDSA-N 1 0 335.404 2.513 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCC(F)F)cc1Br ZINC000602629280 479435690 /nfs/dbraw/zinc/43/56/90/479435690.db2.gz HFFHHHYTQFSTQY-UHFFFAOYSA-N 1 0 345.165 2.790 20 5 EFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1[N+](=O)[O-] ZINC000614533694 479437455 /nfs/dbraw/zinc/43/74/55/479437455.db2.gz DMYRTCYTOXGMIR-QGZVFWFLSA-N 1 0 347.440 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCC[N@@H+]3C3CC3)nc2c1 ZINC000602635477 479440209 /nfs/dbraw/zinc/44/02/09/479440209.db2.gz ZAGHVRAIUXAPSG-CQSZACIVSA-N 1 0 330.388 2.843 20 5 EFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000588813819 479444351 /nfs/dbraw/zinc/44/43/51/479444351.db2.gz RCTWTSMUEYLCBQ-UHFFFAOYSA-N 1 0 331.416 2.670 20 5 EFBDRO CCOc1cccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000575429757 479445080 /nfs/dbraw/zinc/44/50/80/479445080.db2.gz APRYFCURXSPGJI-HNNXBMFYSA-N 1 0 349.431 2.685 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651981 479449398 /nfs/dbraw/zinc/44/93/98/479449398.db2.gz BIPRAAOVSDGNNO-WFASDCNBSA-N 1 0 330.388 2.795 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704970 479449850 /nfs/dbraw/zinc/44/98/50/479449850.db2.gz DXHFEGOEFHWWST-CYBMUJFWSA-N 1 0 329.404 2.706 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611701895 479450483 /nfs/dbraw/zinc/45/04/83/479450483.db2.gz RQWCOWUUEWUNIB-ZIAGYGMSSA-N 1 0 343.431 2.740 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593761546 479452394 /nfs/dbraw/zinc/45/23/94/479452394.db2.gz SGAWVSHNGBMNIA-GUYCJALGSA-N 1 0 332.404 2.750 20 5 EFBDRO CC(C)[NH+](CCCNc1ncnc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000611707900 479453093 /nfs/dbraw/zinc/45/30/93/479453093.db2.gz MWKBLRRQEPKXTM-UHFFFAOYSA-N 1 0 331.420 2.881 20 5 EFBDRO C[S@@](=O)Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602657095 479453262 /nfs/dbraw/zinc/45/32/62/479453262.db2.gz WNKPQRYIMAEEAY-HSZRJFAPSA-N 1 0 332.425 2.806 20 5 EFBDRO CN(CCC[NH+](C)C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602658669 479455085 /nfs/dbraw/zinc/45/50/85/479455085.db2.gz GXQDCHSOEMOWHK-UHFFFAOYSA-N 1 0 336.255 2.802 20 5 EFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nc5cc([N+](=O)[O-])ccc5o4)[C@H]1[C@H]3C2 ZINC000602665694 479459876 /nfs/dbraw/zinc/45/98/76/479459876.db2.gz XRJHEHVKLKGFQN-YOCWQBDXSA-N 1 0 329.356 2.591 20 5 EFBDRO C[C@H](CCO)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602670968 479463821 /nfs/dbraw/zinc/46/38/21/479463821.db2.gz GHDHUTZDDHZCEO-QMMMGPOBSA-N 1 0 337.239 2.917 20 5 EFBDRO COCC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602676072 479468056 /nfs/dbraw/zinc/46/80/56/479468056.db2.gz PYWIEVPEHDZLQM-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602675947 479468078 /nfs/dbraw/zinc/46/80/78/479468078.db2.gz XMZSDTIJSASCIU-BBRMVZONSA-N 1 0 336.436 2.609 20 5 EFBDRO COC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602675072 479468214 /nfs/dbraw/zinc/46/82/14/479468214.db2.gz JSRIQXUPBDIYJQ-UHFFFAOYSA-N 1 0 334.420 2.507 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674871 479469184 /nfs/dbraw/zinc/46/91/84/479469184.db2.gz GXMBPGMRWUUUFN-SMDDNHRTSA-N 1 0 348.321 2.755 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596879489 479469585 /nfs/dbraw/zinc/46/95/85/479469585.db2.gz BJGMLEJHMYDMDM-OAHLLOKOSA-N 1 0 346.431 2.753 20 5 EFBDRO CCn1ccnc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602681675 479471639 /nfs/dbraw/zinc/47/16/39/479471639.db2.gz KKVKHJDAONYIOY-CYBMUJFWSA-N 1 0 344.419 2.526 20 5 EFBDRO Cc1noc(C)c1C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575797207 479475419 /nfs/dbraw/zinc/47/54/19/479475419.db2.gz QPPVYGNKIRXOHT-NSHDSACASA-N 1 0 346.387 2.749 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602688697 479476888 /nfs/dbraw/zinc/47/68/88/479476888.db2.gz XVMDZXZHLXXKFU-JKSUJKDBSA-N 1 0 346.431 2.506 20 5 EFBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1C ZINC000602690659 479477734 /nfs/dbraw/zinc/47/77/34/479477734.db2.gz LQHOOWOWIKRZDN-UHFFFAOYSA-N 1 0 341.415 2.760 20 5 EFBDRO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000599985303 479486764 /nfs/dbraw/zinc/48/67/64/479486764.db2.gz BVNCYEKAMBFXMX-UHFFFAOYSA-N 1 0 344.415 2.561 20 5 EFBDRO CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985579 479487277 /nfs/dbraw/zinc/48/72/77/479487277.db2.gz GWVCGMCKQNMWRS-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCC[N@@H+]1C ZINC000602701083 479487473 /nfs/dbraw/zinc/48/74/73/479487473.db2.gz ZWHYXYPSTJPZGJ-VIFPVBQESA-N 1 0 348.266 2.945 20 5 EFBDRO CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC[NH+](C)CC1 ZINC000599985818 479488028 /nfs/dbraw/zinc/48/80/28/479488028.db2.gz JYIVGXNGHASHRZ-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000599986193 479488433 /nfs/dbraw/zinc/48/84/33/479488433.db2.gz QEUGFLGXLSZYBG-LBPRGKRZSA-N 1 0 337.395 2.780 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604264772 479493579 /nfs/dbraw/zinc/49/35/79/479493579.db2.gz ASARMUHKYNZIHJ-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO [NH3+]CCN(C[C@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000589191349 479494414 /nfs/dbraw/zinc/49/44/14/479494414.db2.gz IZWBZSPTTNJYAE-CQSZACIVSA-N 1 0 327.384 2.926 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187830 479494488 /nfs/dbraw/zinc/49/44/88/479494488.db2.gz YBVNFXZHXPHBQU-UHFFFAOYSA-N 1 0 349.431 2.674 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000604303608 479496569 /nfs/dbraw/zinc/49/65/69/479496569.db2.gz UFRYHJFZYVOTDE-NFAWXSAZSA-N 1 0 346.431 2.535 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196469 479496880 /nfs/dbraw/zinc/49/68/80/479496880.db2.gz DWHAFPMEGXSUMI-UHFFFAOYSA-N 1 0 349.431 2.674 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000604303607 479497056 /nfs/dbraw/zinc/49/70/56/479497056.db2.gz UFRYHJFZYVOTDE-GUTXKFCHSA-N 1 0 346.431 2.535 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)OCCO2 ZINC000589199354 479498653 /nfs/dbraw/zinc/49/86/53/479498653.db2.gz FPDHSHURWQXDTR-MDASCCDHSA-N 1 0 338.363 2.794 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1CC[NH3+] ZINC000593914481 479506956 /nfs/dbraw/zinc/50/69/56/479506956.db2.gz CGHFIYBEXHYOJG-RISCZKNCSA-N 1 0 331.372 2.931 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915968 479508681 /nfs/dbraw/zinc/50/86/81/479508681.db2.gz MMMCDDQFFSXUST-PBHICJAKSA-N 1 0 348.447 2.763 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593919424 479508812 /nfs/dbraw/zinc/50/88/12/479508812.db2.gz QQWYBUIYNXWGHJ-UHFFFAOYSA-N 1 0 345.321 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589344851 479516911 /nfs/dbraw/zinc/51/69/11/479516911.db2.gz QUMWLDVCZQSWKX-ZDUSSCGKSA-N 1 0 327.384 2.782 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576002659 479520490 /nfs/dbraw/zinc/52/04/90/479520490.db2.gz AZFVDMUIUZABMQ-QITLCBANSA-N 1 0 342.399 2.826 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000604467066 479521427 /nfs/dbraw/zinc/52/14/27/479521427.db2.gz VPQNELZEAKLEOA-DAYGRLMNSA-N 1 0 347.459 2.977 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604472210 479522511 /nfs/dbraw/zinc/52/25/11/479522511.db2.gz MNPFTWDSMQAZSK-OAHLLOKOSA-N 1 0 342.399 2.565 20 5 EFBDRO Cn1ccnc1[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967959 479524763 /nfs/dbraw/zinc/52/47/63/479524763.db2.gz CCVNQTVQQLHVFA-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000611935379 479525335 /nfs/dbraw/zinc/52/53/35/479525335.db2.gz VNDYZQHVNJUUCD-QGZVFWFLSA-N 1 0 343.431 2.608 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611939918 479527704 /nfs/dbraw/zinc/52/77/04/479527704.db2.gz VUZCMBFDMXHIBT-CYBMUJFWSA-N 1 0 328.372 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCSC[C@@H]3CO)o2)c1 ZINC000602751628 479529177 /nfs/dbraw/zinc/52/91/77/479529177.db2.gz QCPPEIJQRJOTEX-AWEZNQCLSA-N 1 0 334.397 2.765 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604505777 479529479 /nfs/dbraw/zinc/52/94/79/479529479.db2.gz LCKCWXAIMBDZPK-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CC[N@H+](CCC(F)(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604525362 479533828 /nfs/dbraw/zinc/53/38/28/479533828.db2.gz UCIGWWCJXYDDCJ-LBPRGKRZSA-N 1 0 336.310 2.609 20 5 EFBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000604526485 479534043 /nfs/dbraw/zinc/53/40/43/479534043.db2.gz GECGKUBQHZGARQ-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cncn1 ZINC000600133533 479536024 /nfs/dbraw/zinc/53/60/24/479536024.db2.gz URYMXBDSVZPFGC-HOCLYGCPSA-N 1 0 329.404 2.577 20 5 EFBDRO Cc1n[nH]c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000604545756 479537869 /nfs/dbraw/zinc/53/78/69/479537869.db2.gz AFUVLADAQZRCIO-UHFFFAOYSA-N 1 0 349.435 2.545 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000604561531 479544986 /nfs/dbraw/zinc/54/49/86/479544986.db2.gz BNJLMCBLOAWEFY-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cnc(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000594021159 479551370 /nfs/dbraw/zinc/55/13/70/479551370.db2.gz OIVNDJOUPLAGBZ-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO CCc1csc(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000594020176 479551506 /nfs/dbraw/zinc/55/15/06/479551506.db2.gz WELZQDGEDFSTEJ-UHFFFAOYSA-N 1 0 349.460 2.765 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594020677 479551555 /nfs/dbraw/zinc/55/15/55/479551555.db2.gz KWKULJPMLPKUNX-AWEZNQCLSA-N 1 0 348.447 2.728 20 5 EFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612029859 479554867 /nfs/dbraw/zinc/55/48/67/479554867.db2.gz MSZOEAALHVTAMJ-INIZCTEOSA-N 1 0 344.411 2.902 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC000576172093 479556666 /nfs/dbraw/zinc/55/66/66/479556666.db2.gz DBBXVXMFZPRJJU-GUYCJALGSA-N 1 0 328.368 2.612 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000602793717 479557491 /nfs/dbraw/zinc/55/74/91/479557491.db2.gz JMLLMUFZJMWXMY-UHFFFAOYSA-N 1 0 343.431 2.985 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000602794301 479558656 /nfs/dbraw/zinc/55/86/56/479558656.db2.gz VGBVTXXKRVMZGZ-CYBMUJFWSA-N 1 0 348.428 2.899 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000602794757 479558977 /nfs/dbraw/zinc/55/89/77/479558977.db2.gz JODXOSCWWQKQAV-INIZCTEOSA-N 1 0 329.404 2.676 20 5 EFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000602827420 479578771 /nfs/dbraw/zinc/57/87/71/479578771.db2.gz CKTGTFCALSBMOJ-CQSZACIVSA-N 1 0 348.403 2.858 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000602828363 479578985 /nfs/dbraw/zinc/57/89/85/479578985.db2.gz GNTWVUJSYFTDMX-AWEZNQCLSA-N 1 0 338.433 2.511 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c(C)c1OC ZINC000602828216 479579288 /nfs/dbraw/zinc/57/92/88/479579288.db2.gz CWXZSEXTIYRTEW-LBPRGKRZSA-N 1 0 348.403 2.776 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594077862 479581779 /nfs/dbraw/zinc/58/17/79/479581779.db2.gz BAOFLUBHMMFOER-KBPBESRZSA-N 1 0 348.403 2.742 20 5 EFBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000602833298 479583548 /nfs/dbraw/zinc/58/35/48/479583548.db2.gz NMJOPOVSIKRUBW-CQSZACIVSA-N 1 0 338.795 2.730 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000602841924 479587770 /nfs/dbraw/zinc/58/77/70/479587770.db2.gz UNMOMLWCGQCXSX-QGZVFWFLSA-N 1 0 344.415 2.593 20 5 EFBDRO CC1=Nc2ccccc2C12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000602867563 479601037 /nfs/dbraw/zinc/60/10/37/479601037.db2.gz ZZOXTBYOSSEZOR-UHFFFAOYSA-N 1 0 339.399 2.931 20 5 EFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000590120670 479606637 /nfs/dbraw/zinc/60/66/37/479606637.db2.gz OCGMMGRXSGAFOG-GOSISDBHSA-N 1 0 344.411 2.899 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3[nH]nc4ccccc43)CC2)n1 ZINC000618821827 479606621 /nfs/dbraw/zinc/60/66/21/479606621.db2.gz QMLYDRDPKLHHBT-UHFFFAOYSA-N 1 0 326.360 2.505 20 5 EFBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000612201775 479609815 /nfs/dbraw/zinc/60/98/15/479609815.db2.gz XUSPMJNWHLFQQL-CHWSQXEVSA-N 1 0 336.388 2.661 20 5 EFBDRO CN(CC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590153214 479610696 /nfs/dbraw/zinc/61/06/96/479610696.db2.gz PCDQCKPDCRZTSB-UHFFFAOYSA-N 1 0 345.321 2.668 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)(CO)CC3)s2)cc1 ZINC000597204679 479619671 /nfs/dbraw/zinc/61/96/71/479619671.db2.gz CVTDMYDYCBTMNO-UHFFFAOYSA-N 1 0 348.424 2.643 20 5 EFBDRO CN(Cc1cn(C)nn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597210896 479622760 /nfs/dbraw/zinc/62/27/60/479622760.db2.gz OGPLGIZXAFPHFD-UHFFFAOYSA-N 1 0 327.344 2.615 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597217565 479626406 /nfs/dbraw/zinc/62/64/06/479626406.db2.gz GJUNPCPPWPKZOH-TXEJJXNPSA-N 1 0 330.340 2.896 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590403420 479640144 /nfs/dbraw/zinc/64/01/44/479640144.db2.gz SCRUAMMIQOIQRW-TYNCELHUSA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590403418 479640530 /nfs/dbraw/zinc/64/05/30/479640530.db2.gz SCRUAMMIQOIQRW-SLEUVZQESA-N 1 0 337.445 2.626 20 5 EFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCOCC1 ZINC000597252227 479645329 /nfs/dbraw/zinc/64/53/29/479645329.db2.gz PNOULPZKLWXXNF-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO COc1ccc(-c2ccc(C[N@H+](C)C3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000597254268 479646392 /nfs/dbraw/zinc/64/63/92/479646392.db2.gz HYGHWYLWIQODPI-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984304 479659088 /nfs/dbraw/zinc/65/90/88/479659088.db2.gz ZSXUGZNJZQGOHQ-GUYCJALGSA-N 1 0 334.416 2.960 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[N@@H+]2CCCOCC2)ccc1C(F)(F)F ZINC000590584141 479663308 /nfs/dbraw/zinc/66/33/08/479663308.db2.gz PRGXFOOOYMRDKM-UHFFFAOYSA-N 1 0 333.310 2.748 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C(=O)OC)CCCC1 ZINC000612403836 479665667 /nfs/dbraw/zinc/66/56/67/479665667.db2.gz GEQSVFUGNXBSSQ-UHFFFAOYSA-N 1 0 336.388 2.817 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000590601154 479667233 /nfs/dbraw/zinc/66/72/33/479667233.db2.gz OURWFJMYTJYVJS-KRWDZBQOSA-N 1 0 329.400 2.882 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c21 ZINC000612443838 479673436 /nfs/dbraw/zinc/67/34/36/479673436.db2.gz OFOZDKPRSDEOJK-CQSZACIVSA-N 1 0 341.415 2.993 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000612449301 479675015 /nfs/dbraw/zinc/67/50/15/479675015.db2.gz RHRYFXKBNRVXGX-LBPRGKRZSA-N 1 0 329.404 2.705 20 5 EFBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000612461654 479676903 /nfs/dbraw/zinc/67/69/03/479676903.db2.gz MBOHODLRDSFTTI-JTQLQIEISA-N 1 0 332.360 2.879 20 5 EFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000612461657 479677013 /nfs/dbraw/zinc/67/70/13/479677013.db2.gz MBOHODLRDSFTTI-SNVBAGLBSA-N 1 0 332.360 2.879 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612616226 479712206 /nfs/dbraw/zinc/71/22/06/479712206.db2.gz KFWDQQNOSLAVGY-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619198272 479714649 /nfs/dbraw/zinc/71/46/49/479714649.db2.gz QGHFBHSHMZMXOP-QGZVFWFLSA-N 1 0 349.431 2.576 20 5 EFBDRO CC(C)(NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000612652836 479723436 /nfs/dbraw/zinc/72/34/36/479723436.db2.gz WINUYIIEKSPSLR-MRXNPFEDSA-N 1 0 331.416 2.821 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000619478641 479806015 /nfs/dbraw/zinc/80/60/15/479806015.db2.gz GETQQGWUBRTHBM-UHFFFAOYSA-N 1 0 335.452 2.822 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(F)(F)CC1 ZINC000619516209 479815978 /nfs/dbraw/zinc/81/59/78/479815978.db2.gz YOPSKSGENNVQCZ-UHFFFAOYSA-N 1 0 341.314 2.624 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000619516103 479816361 /nfs/dbraw/zinc/81/63/61/479816361.db2.gz MECHJCSGZXPCPW-UHFFFAOYSA-N 1 0 343.330 2.663 20 5 EFBDRO Cc1c(NC(=O)CC[NH+]2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000619515905 479816448 /nfs/dbraw/zinc/81/64/48/479816448.db2.gz VSBXOHJQFMLVBY-UHFFFAOYSA-N 1 0 327.331 2.963 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527188 479818019 /nfs/dbraw/zinc/81/80/19/479818019.db2.gz TVUVXTBTYGPMFC-ZDUSSCGKSA-N 1 0 344.390 2.972 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619567060 479829599 /nfs/dbraw/zinc/82/95/99/479829599.db2.gz MIKOHKIRDHRGEJ-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000616121612 479830402 /nfs/dbraw/zinc/83/04/02/479830402.db2.gz PNNIOQAXTWRTOT-CQSZACIVSA-N 1 0 332.404 2.817 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619567137 479830745 /nfs/dbraw/zinc/83/07/45/479830745.db2.gz UPFGUTQNVOSLIO-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000619574182 479832004 /nfs/dbraw/zinc/83/20/04/479832004.db2.gz YLMGEXROURLZLC-CYBMUJFWSA-N 1 0 349.456 2.820 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000616254651 479862759 /nfs/dbraw/zinc/86/27/59/479862759.db2.gz FCEZPYMTVXYWDT-HNNXBMFYSA-N 1 0 334.420 2.577 20 5 EFBDRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609483493 480165466 /nfs/dbraw/zinc/16/54/66/480165466.db2.gz NCZUQCVBIYVQOX-UHFFFAOYSA-N 1 0 343.811 2.527 20 5 EFBDRO C[C@](CO)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609537125 480170547 /nfs/dbraw/zinc/17/05/47/480170547.db2.gz JDNPVYSOQMZZAF-GOSISDBHSA-N 1 0 330.384 2.861 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@@H](c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609539898 480172726 /nfs/dbraw/zinc/17/27/26/480172726.db2.gz HEUNNJYUAUCRRD-CZUORRHYSA-N 1 0 341.367 2.783 20 5 EFBDRO O=[N+]([O-])c1sccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000609560634 480175341 /nfs/dbraw/zinc/17/53/41/480175341.db2.gz ANURMTBLZRTYHK-UHFFFAOYSA-N 1 0 325.434 2.595 20 5 EFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1F ZINC000609571888 480178027 /nfs/dbraw/zinc/17/80/27/480178027.db2.gz KTWGYILYCZVZAT-INIZCTEOSA-N 1 0 343.358 2.672 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000617350396 480178871 /nfs/dbraw/zinc/17/88/71/480178871.db2.gz WVUVYVYAHNLOLN-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1cc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000614066798 480179953 /nfs/dbraw/zinc/17/99/53/480179953.db2.gz PRAAEFIGXDDZJY-OAHLLOKOSA-N 1 0 348.374 2.914 20 5 EFBDRO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC[NH+](C)CC1 ZINC000609583321 480181141 /nfs/dbraw/zinc/18/11/41/480181141.db2.gz ANOMLMSKZWCANF-LLVKDONJSA-N 1 0 330.388 2.536 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609594387 480184046 /nfs/dbraw/zinc/18/40/46/480184046.db2.gz OCJQLTYZKVRIIV-AWEZNQCLSA-N 1 0 334.420 2.631 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631791 480191918 /nfs/dbraw/zinc/19/19/18/480191918.db2.gz YZIOIDVOPLFXID-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848914 480212322 /nfs/dbraw/zinc/21/23/22/480212322.db2.gz OMATZTMYDZEYCQ-CHWSQXEVSA-N 1 0 346.387 2.800 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000609850001 480213100 /nfs/dbraw/zinc/21/31/00/480213100.db2.gz RLPBPDQHCCQOPA-QGZVFWFLSA-N 1 0 343.431 2.882 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609995468 480225764 /nfs/dbraw/zinc/22/57/64/480225764.db2.gz FKUKUEFUEFCUDN-HNNXBMFYSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610065326 480234396 /nfs/dbraw/zinc/23/43/96/480234396.db2.gz WSKYXDLATOLXDN-ZDUSSCGKSA-N 1 0 333.432 2.719 20 5 EFBDRO CC(C)[NH+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610104508 480237613 /nfs/dbraw/zinc/23/76/13/480237613.db2.gz NXXXJVRRNRDNJQ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC[NH+](C)C ZINC000610112005 480238994 /nfs/dbraw/zinc/23/89/94/480238994.db2.gz QANHATWRBDQVRT-ZDUSSCGKSA-N 1 0 339.461 2.876 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC(C)(C)C[NH+](C)C ZINC000610128457 480241815 /nfs/dbraw/zinc/24/18/15/480241815.db2.gz MGQVVFJZCVZKHT-UHFFFAOYSA-N 1 0 341.383 2.910 20 5 EFBDRO C[C@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161207 480245853 /nfs/dbraw/zinc/24/58/53/480245853.db2.gz PFROJPSWGMGQIG-HNNXBMFYSA-N 1 0 330.384 2.857 20 5 EFBDRO CNc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000610244726 480258723 /nfs/dbraw/zinc/25/87/23/480258723.db2.gz KDGLLAAQHRBNSR-AWEZNQCLSA-N 1 0 334.420 2.583 20 5 EFBDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335362 480282333 /nfs/dbraw/zinc/28/23/33/480282333.db2.gz QNGUFVSLRBGFII-KRWDZBQOSA-N 1 0 346.431 2.582 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512470 480326365 /nfs/dbraw/zinc/32/63/65/480326365.db2.gz GZMMKPQGSFWUET-JTQLQIEISA-N 1 0 343.225 2.719 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000610512376 480326657 /nfs/dbraw/zinc/32/66/57/480326657.db2.gz RTKUMBSLLVTPSP-SNVBAGLBSA-N 1 0 341.209 2.649 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]3C[NH+]3CCCCC3)c2c1 ZINC000614517911 480330024 /nfs/dbraw/zinc/33/00/24/480330024.db2.gz MIWARODVLMBYDW-HNNXBMFYSA-N 1 0 341.415 2.993 20 5 EFBDRO CCn1cnnc1CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610658098 480356450 /nfs/dbraw/zinc/35/64/50/480356450.db2.gz BIRKHWGQCFCIPB-UHFFFAOYSA-N 1 0 341.371 2.799 20 5 EFBDRO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000618396331 480657364 /nfs/dbraw/zinc/65/73/64/480657364.db2.gz NMGBNFLYAWRDNA-GFCCVEGCSA-N 1 0 349.406 2.828 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000646862110 481520567 /nfs/dbraw/zinc/52/05/67/481520567.db2.gz VTRJVWVFLXSZCC-SCLBCKFNSA-N 1 0 335.407 2.576 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187278605 533795701 /nfs/dbraw/zinc/79/57/01/533795701.db2.gz GKHSXYFPAPAPCU-OKILXGFUSA-N 1 0 348.447 2.665 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159482577 533833471 /nfs/dbraw/zinc/83/34/71/533833471.db2.gz DTMWCODRMABUAV-OAHLLOKOSA-N 1 0 347.440 2.926 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000183594261 534000052 /nfs/dbraw/zinc/00/00/52/534000052.db2.gz GPNVGPUMXZBKRV-ZDUSSCGKSA-N 1 0 343.387 2.632 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000182883370 534069940 /nfs/dbraw/zinc/06/99/40/534069940.db2.gz XXTXNSSEOIYCSY-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO CC(C)[N@H+](C)CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000230214684 519619272 /nfs/dbraw/zinc/61/92/72/519619272.db2.gz FCMXOBQWCVROPG-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156337135 519624788 /nfs/dbraw/zinc/62/47/88/519624788.db2.gz DNJSBVAYQZOVIC-GFCCVEGCSA-N 1 0 325.796 2.548 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072836408 519804326 /nfs/dbraw/zinc/80/43/26/519804326.db2.gz IPSLVKPBTAYKPF-HNNXBMFYSA-N 1 0 337.445 2.997 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976372 520113009 /nfs/dbraw/zinc/11/30/09/520113009.db2.gz LVSKCEVCRLZZNK-CQSZACIVSA-N 1 0 335.404 2.672 20 5 EFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)c1Br)C1CC1 ZINC000230581424 521084430 /nfs/dbraw/zinc/08/44/30/521084430.db2.gz GZWXVVZFGLMAMG-UHFFFAOYSA-N 1 0 343.225 2.957 20 5 EFBDRO CCC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000089634250 521168357 /nfs/dbraw/zinc/16/83/57/521168357.db2.gz LLILCAAFOLCNJZ-WFASDCNBSA-N 1 0 328.434 2.849 20 5 EFBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000157474281 521561260 /nfs/dbraw/zinc/56/12/60/521561260.db2.gz SOJFROBRSDCWGL-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000157888524 521681791 /nfs/dbraw/zinc/68/17/91/521681791.db2.gz FHSPQECAGOQILM-LBPRGKRZSA-N 1 0 342.237 2.931 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000262130659 521981837 /nfs/dbraw/zinc/98/18/37/521981837.db2.gz WTSOECCCLISSGW-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000080097561 522018397 /nfs/dbraw/zinc/01/83/97/522018397.db2.gz JGZRCYIXGRPQAI-ZDUSSCGKSA-N 1 0 326.784 2.710 20 5 EFBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412042414 534632272 /nfs/dbraw/zinc/63/22/72/534632272.db2.gz VGJXRJYUXOYSGO-DZGCQCFKSA-N 1 0 338.452 2.689 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177049061 522861865 /nfs/dbraw/zinc/86/18/65/522861865.db2.gz GIHFENKBSWUWML-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245689108 523122043 /nfs/dbraw/zinc/12/20/43/523122043.db2.gz LKCUHNIOPXXCAN-AEFFLSMTSA-N 1 0 345.399 2.813 20 5 EFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120515070 523198668 /nfs/dbraw/zinc/19/86/68/523198668.db2.gz CFZFTMOXEPFPJM-CJNGLKHVSA-N 1 0 340.445 2.927 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155390752 523831759 /nfs/dbraw/zinc/83/17/59/523831759.db2.gz FFUDIIGHNHBFCO-DBYORWSCSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000157894449 524234005 /nfs/dbraw/zinc/23/40/05/524234005.db2.gz IEQXWDYNTMOGRW-QMTHXVAHSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125220592 524273142 /nfs/dbraw/zinc/27/31/42/524273142.db2.gz ZGPPOCVPGQDHIQ-VXGBXAGGSA-N 1 0 349.387 2.773 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000060407586 524406400 /nfs/dbraw/zinc/40/64/00/524406400.db2.gz VMOVCAQYKZAGGT-UHFFFAOYSA-N 1 0 345.399 2.629 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245553195 524449164 /nfs/dbraw/zinc/44/91/64/524449164.db2.gz FCZKDNSMOWYYEC-XYJFISCASA-N 1 0 347.459 2.977 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245608562 524506501 /nfs/dbraw/zinc/50/65/01/524506501.db2.gz NPUJQBVMCJZASI-RHSMWYFYSA-N 1 0 330.388 2.753 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000159492520 524613698 /nfs/dbraw/zinc/61/36/98/524613698.db2.gz HWQXSVHMCJBANP-UWVGGRQHSA-N 1 0 328.210 2.540 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120017118 524956933 /nfs/dbraw/zinc/95/69/33/524956933.db2.gz KOBZOQRXKMMCAI-HNNXBMFYSA-N 1 0 338.404 2.729 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000066186117 525036384 /nfs/dbraw/zinc/03/63/84/525036384.db2.gz CVOPWZZWFSIVKD-XJKSGUPXSA-N 1 0 332.404 2.536 20 5 EFBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000120172570 525490146 /nfs/dbraw/zinc/49/01/46/525490146.db2.gz CAHFICFYXNAXHF-AWEZNQCLSA-N 1 0 348.424 2.855 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121717086 525689877 /nfs/dbraw/zinc/68/98/77/525689877.db2.gz SYVCISSRRNQBJW-MRXNPFEDSA-N 1 0 331.416 2.533 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000151126939 525855883 /nfs/dbraw/zinc/85/58/83/525855883.db2.gz DTMKPJRPNNGIAB-TZDHZFECSA-N 1 0 347.415 2.777 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000120093721 525897823 /nfs/dbraw/zinc/89/78/23/525897823.db2.gz VMNJUYXYMSEBFY-CRAIPNDOSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000067161930 526073324 /nfs/dbraw/zinc/07/33/24/526073324.db2.gz YNPYLNONVQHURQ-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350951022 534905228 /nfs/dbraw/zinc/90/52/28/534905228.db2.gz OJHQCYWSXUFKOI-CJNGLKHVSA-N 1 0 334.420 2.829 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343572865 534910132 /nfs/dbraw/zinc/91/01/32/534910132.db2.gz OYLHWTJPCLSYFQ-ZDUSSCGKSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153921951 526183644 /nfs/dbraw/zinc/18/36/44/526183644.db2.gz NRGFSWQEBHUOMS-SJCJKPOMSA-N 1 0 344.371 2.818 20 5 EFBDRO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000139688290 526490379 /nfs/dbraw/zinc/49/03/79/526490379.db2.gz ZJAUTVCKWGRHHY-UHFFFAOYSA-N 1 0 333.388 2.568 20 5 EFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193813481 526613574 /nfs/dbraw/zinc/61/35/74/526613574.db2.gz XOCOOENTTYFUSK-MRXNPFEDSA-N 1 0 339.395 2.847 20 5 EFBDRO Cn1c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000076894260 527050893 /nfs/dbraw/zinc/05/08/93/527050893.db2.gz YFNOSTNYYPZPGC-UHFFFAOYSA-N 1 0 328.347 2.953 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000237775247 527131154 /nfs/dbraw/zinc/13/11/54/527131154.db2.gz JNSVHEKXBVFTGP-UHFFFAOYSA-N 1 0 346.431 2.951 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCCCO)C3CC3)co2)cc1 ZINC000089903815 527343042 /nfs/dbraw/zinc/34/30/42/527343042.db2.gz NHOTYGQUWXOFBQ-UHFFFAOYSA-N 1 0 331.372 2.987 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193624087 527371438 /nfs/dbraw/zinc/37/14/38/527371438.db2.gz YVKMBOUVTBQLCL-CQSZACIVSA-N 1 0 330.388 2.966 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237907240 527373507 /nfs/dbraw/zinc/37/35/07/527373507.db2.gz CWAPIOMRUUTMNL-UHFFFAOYSA-N 1 0 325.368 2.855 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183378135 527395008 /nfs/dbraw/zinc/39/50/08/527395008.db2.gz QVRHXRUKZTYMDT-ZWKOTPCHSA-N 1 0 346.358 2.921 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C1CC1 ZINC000090454153 527403258 /nfs/dbraw/zinc/40/32/58/527403258.db2.gz OMXKVRORKIQZFF-RDJZCZTQSA-N 1 0 326.400 2.786 20 5 EFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193280107 527405871 /nfs/dbraw/zinc/40/58/71/527405871.db2.gz OTZKATLGKXCUDX-YJBOKZPZSA-N 1 0 345.399 2.510 20 5 EFBDRO Nc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000178180779 527424557 /nfs/dbraw/zinc/42/45/57/527424557.db2.gz HHUPCXIAHAXJGC-UHFFFAOYSA-N 1 0 346.431 2.515 20 5 EFBDRO Cc1nn(C)c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192958265 527678794 /nfs/dbraw/zinc/67/87/94/527678794.db2.gz GNJDVHGTSMLYQY-OAHLLOKOSA-N 1 0 329.404 2.571 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184230851 527837037 /nfs/dbraw/zinc/83/70/37/527837037.db2.gz HKAHICKYWPVINU-GFCCVEGCSA-N 1 0 325.384 2.516 20 5 EFBDRO CC1([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)OCCO1 ZINC000183871144 528058031 /nfs/dbraw/zinc/05/80/31/528058031.db2.gz VGVUVPISBZPNDU-LBPRGKRZSA-N 1 0 347.371 2.711 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000184331158 528244064 /nfs/dbraw/zinc/24/40/64/528244064.db2.gz YJAYMVLXZUSPQJ-HNNXBMFYSA-N 1 0 346.387 2.583 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000186462210 529007497 /nfs/dbraw/zinc/00/74/97/529007497.db2.gz LKNXQGUUKKWKTQ-CVEARBPZSA-N 1 0 347.415 2.736 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421710300 534941789 /nfs/dbraw/zinc/94/17/89/534941789.db2.gz JVIJWRRGKFJYMD-CQSZACIVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000412298122 534945130 /nfs/dbraw/zinc/94/51/30/534945130.db2.gz FXWHBHORJMUDJL-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000412400401 534946124 /nfs/dbraw/zinc/94/61/24/534946124.db2.gz OAVXGWGIYUVXFF-GOOCMWNKSA-N 1 0 347.415 2.737 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412252836 534950097 /nfs/dbraw/zinc/95/00/97/534950097.db2.gz XDLHPOLAYQSPOP-TZMCWYRMSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412252830 534951624 /nfs/dbraw/zinc/95/16/24/534951624.db2.gz XDLHPOLAYQSPOP-JSGCOSHPSA-N 1 0 335.404 2.595 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246812466 534954454 /nfs/dbraw/zinc/95/44/54/534954454.db2.gz ADOMFTMUMLMLTN-HUUCEWRRSA-N 1 0 348.447 2.995 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000355874169 535061172 /nfs/dbraw/zinc/06/11/72/535061172.db2.gz SKCBBSFOIHYPMB-UHFFFAOYSA-N 1 0 325.384 2.925 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCO[C@@H]21 ZINC000344680556 535073543 /nfs/dbraw/zinc/07/35/43/535073543.db2.gz NZSPRINOBIOIDN-OIISXLGYSA-N 1 0 348.399 2.755 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344872232 535216522 /nfs/dbraw/zinc/21/65/22/535216522.db2.gz HCTJQTMGPKKEBW-UHFFFAOYSA-N 1 0 336.436 2.517 20 5 EFBDRO CC(C)(NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418337765 535224908 /nfs/dbraw/zinc/22/49/08/535224908.db2.gz BVYWZETXRIIWQO-CYBMUJFWSA-N 1 0 334.420 2.519 20 5 EFBDRO CC(C)(NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000347645991 535240634 /nfs/dbraw/zinc/24/06/34/535240634.db2.gz FCWSPWYEFCPVMU-UHFFFAOYSA-N 1 0 325.368 2.863 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000429234453 535251072 /nfs/dbraw/zinc/25/10/72/535251072.db2.gz HFABQVPXDQSJCU-AWEZNQCLSA-N 1 0 348.374 2.999 20 5 EFBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000344007952 535256905 /nfs/dbraw/zinc/25/69/05/535256905.db2.gz OZRRFRVYRJBEID-UHFFFAOYSA-N 1 0 339.461 2.977 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347841964 535355002 /nfs/dbraw/zinc/35/50/02/535355002.db2.gz FGXQNPNQPXLVHH-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411203504 535355582 /nfs/dbraw/zinc/35/55/82/535355582.db2.gz RMLZPCBANBVUEC-DLBZAZTESA-N 1 0 331.416 2.689 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000341436678 535410872 /nfs/dbraw/zinc/41/08/72/535410872.db2.gz VCEICCWYNIXDTN-GFCCVEGCSA-N 1 0 334.376 2.549 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919501 535507096 /nfs/dbraw/zinc/50/70/96/535507096.db2.gz HUKOVUWWFMOXTH-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345032478 535577968 /nfs/dbraw/zinc/57/79/68/535577968.db2.gz LQTBNPMCQNTSBM-ZFWWWQNUSA-N 1 0 348.447 2.807 20 5 EFBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000341503038 535681174 /nfs/dbraw/zinc/68/11/74/535681174.db2.gz RMLAOGMXTHELJN-UHFFFAOYSA-N 1 0 348.424 2.987 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000359234024 535744084 /nfs/dbraw/zinc/74/40/84/535744084.db2.gz KNAQQYZGHFIMRR-OCCSQVGLSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000359536555 535775649 /nfs/dbraw/zinc/77/56/49/535775649.db2.gz XELCIRAKQDQMNE-QWHCGFSZSA-N 1 0 334.420 2.527 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000344480907 535777683 /nfs/dbraw/zinc/77/76/83/535777683.db2.gz ZPBZGFSKTGCOIR-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000343912633 535819860 /nfs/dbraw/zinc/81/98/60/535819860.db2.gz SSHSCRSVBHTVMY-CQSZACIVSA-N 1 0 331.416 2.996 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000343384141 535895584 /nfs/dbraw/zinc/89/55/84/535895584.db2.gz JOTMEIYWKSSWIL-HNNXBMFYSA-N 1 0 335.404 2.637 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266498376 535907991 /nfs/dbraw/zinc/90/79/91/535907991.db2.gz WSLIHAAACWMNNJ-CABCVRRESA-N 1 0 338.795 2.547 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425407316 535945277 /nfs/dbraw/zinc/94/52/77/535945277.db2.gz QXZTWLPSYZCALF-NSHDSACASA-N 1 0 342.237 2.741 20 5 EFBDRO C[NH+](C)Cc1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cc1F ZINC000342729259 536011344 /nfs/dbraw/zinc/01/13/44/536011344.db2.gz QCUQYZKODASFEF-UHFFFAOYSA-N 1 0 346.362 2.507 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC000359134633 536021517 /nfs/dbraw/zinc/02/15/17/536021517.db2.gz DYHATQKQICTIGB-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000414643297 536346006 /nfs/dbraw/zinc/34/60/06/536346006.db2.gz KOSAVFOMLLPSKE-ZETCQYMHSA-N 1 0 330.266 2.814 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000343629626 536480160 /nfs/dbraw/zinc/48/01/60/536480160.db2.gz OBZXHTYJDJCDLG-UHFFFAOYSA-N 1 0 330.363 2.637 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000266599497 536509415 /nfs/dbraw/zinc/50/94/15/536509415.db2.gz CSYYSUZWZFKOSJ-INIZCTEOSA-N 1 0 332.404 2.756 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000359766647 536513710 /nfs/dbraw/zinc/51/37/10/536513710.db2.gz KRYKUHGEGVGGEV-CYBMUJFWSA-N 1 0 349.431 2.906 20 5 EFBDRO COC1([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414318084 536709576 /nfs/dbraw/zinc/70/95/76/536709576.db2.gz PVLFOHRDTAXSNL-QWHCGFSZSA-N 1 0 335.404 2.859 20 5 EFBDRO COc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000360394680 536791484 /nfs/dbraw/zinc/79/14/84/536791484.db2.gz MBZFKCQOYRZFNU-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954720 536800455 /nfs/dbraw/zinc/80/04/55/536800455.db2.gz MOGNSLYKKBOBSW-DGCLKSJQSA-N 1 0 333.388 2.662 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344487101 536815452 /nfs/dbraw/zinc/81/54/52/536815452.db2.gz UNGBAMPMAYFOCT-FDRIWYBQSA-N 1 0 335.404 2.571 20 5 EFBDRO COc1ccc(CN[C@@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414943048 536895768 /nfs/dbraw/zinc/89/57/68/536895768.db2.gz LBVMEYJXIXCTJW-ZDUSSCGKSA-N 1 0 345.399 2.619 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414659104 536895942 /nfs/dbraw/zinc/89/59/42/536895942.db2.gz RTXKWKASNNKGBS-LBPRGKRZSA-N 1 0 331.372 2.657 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000359461240 536896343 /nfs/dbraw/zinc/89/63/43/536896343.db2.gz UFNHLYYKNUBBJB-CHWSQXEVSA-N 1 0 343.383 2.515 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874504 536944699 /nfs/dbraw/zinc/94/46/99/536944699.db2.gz BAZGGTBCCMXBKI-RTBURBONSA-N 1 0 341.411 2.839 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000344624737 536951182 /nfs/dbraw/zinc/95/11/82/536951182.db2.gz GWAQBGCKTWNAKW-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000429972723 536954826 /nfs/dbraw/zinc/95/48/26/536954826.db2.gz MIGDFPWYVDPSPQ-CABCVRRESA-N 1 0 335.404 2.517 20 5 EFBDRO COc1ccncc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340402121 537119842 /nfs/dbraw/zinc/11/98/42/537119842.db2.gz CSHYARRIDZIYSX-GFCCVEGCSA-N 1 0 344.371 2.505 20 5 EFBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000753917394 575359096 /nfs/dbraw/zinc/35/90/96/575359096.db2.gz MVZYSTOXNJCWOO-CYBMUJFWSA-N 1 0 339.367 2.563 20 5 EFBDRO CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753940645 575363698 /nfs/dbraw/zinc/36/36/98/575363698.db2.gz UUMKYWJPJVLLFY-ZBFHGGJFSA-N 1 0 333.432 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000754251913 575410976 /nfs/dbraw/zinc/41/09/76/575410976.db2.gz YTDHMEYDNOJRRQ-SFHVURJKSA-N 1 0 338.367 2.604 20 5 EFBDRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381191 575427568 /nfs/dbraw/zinc/42/75/68/575427568.db2.gz BKPGLNFDPIQWSC-AAEUAGOBSA-N 1 0 349.412 2.697 20 5 EFBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382055 575427930 /nfs/dbraw/zinc/42/79/30/575427930.db2.gz FBRWXYKZYWWQKM-RISCZKNCSA-N 1 0 349.412 2.697 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000754383843 575428510 /nfs/dbraw/zinc/42/85/10/575428510.db2.gz JUAMNGLIIYIFCX-YGRLFVJLSA-N 1 0 343.811 2.836 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754384067 575429095 /nfs/dbraw/zinc/42/90/95/575429095.db2.gz GCOLGGQGTDCSNZ-LBPRGKRZSA-N 1 0 349.412 2.617 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754389174 575430322 /nfs/dbraw/zinc/43/03/22/575430322.db2.gz ZYZYMJWTFBMRGQ-AWEZNQCLSA-N 1 0 349.412 2.617 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000754520713 575446519 /nfs/dbraw/zinc/44/65/19/575446519.db2.gz WDUUZBFQQGTLCG-FZMZJTMJSA-N 1 0 341.795 2.734 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000754782040 575489193 /nfs/dbraw/zinc/48/91/93/575489193.db2.gz HTHJSSWMKZDIIY-HNNXBMFYSA-N 1 0 344.415 2.959 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712883 575779862 /nfs/dbraw/zinc/77/98/62/575779862.db2.gz DENGSZSOGQPOFV-INIZCTEOSA-N 1 0 332.448 2.591 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756951886 575804784 /nfs/dbraw/zinc/80/47/84/575804784.db2.gz XPPCRTQZHVUPAB-NSHDSACASA-N 1 0 342.827 2.778 20 5 EFBDRO C[NH+](C)Cc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759486242 575892976 /nfs/dbraw/zinc/89/29/76/575892976.db2.gz HJVRTZRJPADJSN-UHFFFAOYSA-N 1 0 349.412 2.598 20 5 EFBDRO CC[N@H+](CCC1CC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000760537811 576042190 /nfs/dbraw/zinc/04/21/90/576042190.db2.gz FNQLYRWOGBIPJF-UHFFFAOYSA-N 1 0 332.404 2.916 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293924 576141409 /nfs/dbraw/zinc/14/14/09/576141409.db2.gz TUMPEEUDBRBMGT-UONOGXRCSA-N 1 0 330.388 2.569 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293915 576141474 /nfs/dbraw/zinc/14/14/74/576141474.db2.gz TUMPEEUDBRBMGT-KBPBESRZSA-N 1 0 330.388 2.569 20 5 EFBDRO Cc1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000761641396 576191698 /nfs/dbraw/zinc/19/16/98/576191698.db2.gz DUQZVWZKCFOBNN-UHFFFAOYSA-N 1 0 339.395 2.854 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000762720859 576327493 /nfs/dbraw/zinc/32/74/93/576327493.db2.gz DLXCVQXKLLXYSG-GFCCVEGCSA-N 1 0 337.395 2.612 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000762957946 576350297 /nfs/dbraw/zinc/35/02/97/576350297.db2.gz DDAJIWXAEGAJGW-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000764311114 576447598 /nfs/dbraw/zinc/44/75/98/576447598.db2.gz MSAWRSBGIMANOU-AWEZNQCLSA-N 1 0 342.399 2.881 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000764489064 576464670 /nfs/dbraw/zinc/46/46/70/576464670.db2.gz HYYJNFMAEJODAM-DOMZBBRYSA-N 1 0 334.445 2.708 20 5 EFBDRO Cc1nn(CN2CC[NH+](C3CCCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764878045 576516636 /nfs/dbraw/zinc/51/66/36/576516636.db2.gz IFKGBOOUQVEXBF-UHFFFAOYSA-N 1 0 343.431 2.771 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000764967908 576530269 /nfs/dbraw/zinc/53/02/69/576530269.db2.gz ZAIPNFHYNZUJHE-RTBURBONSA-N 1 0 344.459 2.780 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000765380370 577037095 /nfs/dbraw/zinc/03/70/95/577037095.db2.gz DIEYCOUAGOZPDZ-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c2nonc21 ZINC000765576774 577055641 /nfs/dbraw/zinc/05/56/41/577055641.db2.gz RKKTZWDMRZYSRN-UHFFFAOYSA-N 1 0 331.376 2.586 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCCC1 ZINC000765648571 577062796 /nfs/dbraw/zinc/06/27/96/577062796.db2.gz JJSBSRCIQDIOSH-CYBMUJFWSA-N 1 0 342.399 2.747 20 5 EFBDRO CCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765765547 577073908 /nfs/dbraw/zinc/07/39/08/577073908.db2.gz GSCFJDNOZDUFIS-OAHLLOKOSA-N 1 0 334.464 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000765847991 577082698 /nfs/dbraw/zinc/08/26/98/577082698.db2.gz DIHUZMUYDFTVMP-CVEARBPZSA-N 1 0 332.331 2.881 20 5 EFBDRO CC(C)(C)C[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766061219 577102953 /nfs/dbraw/zinc/10/29/53/577102953.db2.gz PDFVZCCARQPFCR-QGZVFWFLSA-N 1 0 335.448 2.950 20 5 EFBDRO CC[C@@H](C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000766207401 577121279 /nfs/dbraw/zinc/12/12/79/577121279.db2.gz NRPNBPZMSCQCDI-ZDUSSCGKSA-N 1 0 342.367 2.906 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766248711 577126779 /nfs/dbraw/zinc/12/67/79/577126779.db2.gz NEOLZISMZBBVOL-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766359388 577139618 /nfs/dbraw/zinc/13/96/18/577139618.db2.gz CUECPZMUWVYMHK-GJZGRUSLSA-N 1 0 335.448 2.950 20 5 EFBDRO CCC[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766429604 577149331 /nfs/dbraw/zinc/14/93/31/577149331.db2.gz OECXYUUUYCFARH-ZDUSSCGKSA-N 1 0 325.384 2.671 20 5 EFBDRO CC1(O)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000766479132 577156468 /nfs/dbraw/zinc/15/64/68/577156468.db2.gz LFQNRACXFGAUHZ-UHFFFAOYSA-N 1 0 333.432 2.847 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766557576 577166610 /nfs/dbraw/zinc/16/66/10/577166610.db2.gz VUDIGJROYNGECH-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583494 577168889 /nfs/dbraw/zinc/16/88/89/577168889.db2.gz WNLUHZZLYNZOSX-CABCVRRESA-N 1 0 333.432 2.968 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583944 577168919 /nfs/dbraw/zinc/16/89/19/577168919.db2.gz LQTFDWBEKUQLHU-AUUYWEPGSA-N 1 0 344.459 2.636 20 5 EFBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583946 577168947 /nfs/dbraw/zinc/16/89/47/577168947.db2.gz LQTFDWBEKUQLHU-IFXJQAMLSA-N 1 0 344.459 2.636 20 5 EFBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583866 577168964 /nfs/dbraw/zinc/16/89/64/577168964.db2.gz WNLUHZZLYNZOSX-LSDHHAIUSA-N 1 0 333.432 2.968 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946880 577189256 /nfs/dbraw/zinc/18/92/56/577189256.db2.gz PQWDHPHWZJNKBU-DDUZABMNSA-N 1 0 344.415 2.977 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946883 577189271 /nfs/dbraw/zinc/18/92/71/577189271.db2.gz PQWDHPHWZJNKBU-XUWXXGDYSA-N 1 0 344.415 2.977 20 5 EFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954727 577189709 /nfs/dbraw/zinc/18/97/09/577189709.db2.gz PYCSXHNBAUKINX-CXAGYDPISA-N 1 0 348.378 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767855765 577238696 /nfs/dbraw/zinc/23/86/96/577238696.db2.gz LTXYGROJWJZPHL-SFHVURJKSA-N 1 0 342.395 2.612 20 5 EFBDRO C[NH+]1CCC(NC(=S)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000768480950 577277641 /nfs/dbraw/zinc/27/76/41/577277641.db2.gz UTNWICKKWMTFQW-UHFFFAOYSA-N 1 0 348.472 2.528 20 5 EFBDRO COc1cc(CONC(=[NH2+])COC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000768929054 577317199 /nfs/dbraw/zinc/31/71/99/577317199.db2.gz JRHDVWAQRMITHX-UHFFFAOYSA-N 1 0 329.328 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)cc1 ZINC000769409630 577360456 /nfs/dbraw/zinc/36/04/56/577360456.db2.gz ACTPAMPTIFWSCD-KRWDZBQOSA-N 1 0 345.399 2.870 20 5 EFBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](C)C(C)C ZINC000726589851 577374328 /nfs/dbraw/zinc/37/43/28/577374328.db2.gz YWBFSUSWWNYHLD-CYBMUJFWSA-N 1 0 348.403 2.687 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000726607255 577374832 /nfs/dbraw/zinc/37/48/32/577374832.db2.gz LOEBPDUPLPWAOJ-CQSZACIVSA-N 1 0 345.399 2.665 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000769708291 577379899 /nfs/dbraw/zinc/37/98/99/577379899.db2.gz RYQMCNCECBAHJR-TWGQIWQCSA-N 1 0 331.416 2.846 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)cc1Cl ZINC000770224150 577407736 /nfs/dbraw/zinc/40/77/36/577407736.db2.gz ZYECEWBZKRDOAC-UHFFFAOYSA-N 1 0 341.795 2.565 20 5 EFBDRO CC[N@H+](CCC1CCN(Cn2nccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000770688425 581126095 /nfs/dbraw/zinc/12/60/95/581126095.db2.gz ZFNQEELHXLPESH-UHFFFAOYSA-N 1 0 335.452 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000770689224 581126180 /nfs/dbraw/zinc/12/61/80/581126180.db2.gz PMVDYDYDYOAZIX-RTBURBONSA-N 1 0 340.379 2.760 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000772181354 581292970 /nfs/dbraw/zinc/29/29/70/581292970.db2.gz LPOJCSBSLFYKFY-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO CC[NH+](CC)CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000772318237 581307188 /nfs/dbraw/zinc/30/71/88/581307188.db2.gz CTNPGARJWRSHTQ-UHFFFAOYSA-N 1 0 326.368 2.897 20 5 EFBDRO Cn1c(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000772685500 581355751 /nfs/dbraw/zinc/35/57/51/581355751.db2.gz PXFMPCDTSUENAF-UHFFFAOYSA-N 1 0 347.371 2.595 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn21 ZINC000772905014 581379915 /nfs/dbraw/zinc/37/99/15/581379915.db2.gz STEPGHWHOFULKX-HIFRSBDPSA-N 1 0 341.415 2.696 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000772978270 581384862 /nfs/dbraw/zinc/38/48/62/581384862.db2.gz DZDIGDKQEZFZGV-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(F)n1 ZINC000773095196 581396079 /nfs/dbraw/zinc/39/60/79/581396079.db2.gz KXMPJZASECDYAN-NSHDSACASA-N 1 0 332.335 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000773169308 581402464 /nfs/dbraw/zinc/40/24/64/581402464.db2.gz LXCHEKMXCZKUDG-UHFFFAOYSA-N 1 0 334.445 2.756 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2ccccc2)n1 ZINC000774120947 581484460 /nfs/dbraw/zinc/48/44/60/581484460.db2.gz WCYDKBQLYGPAPW-XHSDSOJGSA-N 1 0 330.388 2.598 20 5 EFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182872 581486666 /nfs/dbraw/zinc/48/66/66/581486666.db2.gz KBZQSOPIMQLOIT-GVDBMIGSSA-N 1 0 344.415 2.907 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCNc2ccccc2)n1 ZINC000774219524 581487397 /nfs/dbraw/zinc/48/73/97/581487397.db2.gz RNZNINOABRIIFZ-HZPDHXFCSA-N 1 0 329.404 2.977 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCNc2ccccc2)n1 ZINC000774219521 581487425 /nfs/dbraw/zinc/48/74/25/581487425.db2.gz RNZNINOABRIIFZ-CVEARBPZSA-N 1 0 329.404 2.977 20 5 EFBDRO CCOC(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000774375642 581490487 /nfs/dbraw/zinc/49/04/87/581490487.db2.gz DFFQYDPFZGNEFF-UONOGXRCSA-N 1 0 340.424 2.654 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774490507 581492649 /nfs/dbraw/zinc/49/26/49/581492649.db2.gz YNKSYFSOTLKDKQ-ZACQAIPSSA-N 1 0 344.415 2.907 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000822229227 606485061 /nfs/dbraw/zinc/48/50/61/606485061.db2.gz PHLTWHZQVGCMKA-JTQLQIEISA-N 1 0 344.400 2.996 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850424826 1250480950 /nfs/dbraw/zinc/48/09/50/1250480950.db2.gz MAZKJXWKIINQGQ-SJCJKPOMSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433465 1250483963 /nfs/dbraw/zinc/48/39/63/1250483963.db2.gz JQQVLZFZVFEDQD-YVEFUNNKSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000850449323 1250489483 /nfs/dbraw/zinc/48/94/83/1250489483.db2.gz VMNLSRKQEBWIBL-TZMCWYRMSA-N 1 0 336.388 2.940 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000850549835 1250531874 /nfs/dbraw/zinc/53/18/74/1250531874.db2.gz IJPGLCPHUVEGKS-UKRRQHHQSA-N 1 0 335.404 2.594 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2SCCS2)n1 ZINC000850559328 1250536236 /nfs/dbraw/zinc/53/62/36/1250536236.db2.gz ADMXEPILHXABJW-QWRGUYRKSA-N 1 0 328.463 2.671 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000850722639 1250579296 /nfs/dbraw/zinc/57/92/96/1250579296.db2.gz OHRNYRLNXXULET-KOLCDFICSA-N 1 0 326.784 2.839 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851468622 1251017079 /nfs/dbraw/zinc/01/70/79/1251017079.db2.gz MTYBNQXCRVOUFI-SFHVURJKSA-N 1 0 340.379 2.955 20 5 EFBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CCOCC1 ZINC000181034323 1252602266 /nfs/dbraw/zinc/60/22/66/1252602266.db2.gz BZHSYTZYGMUCDO-UHFFFAOYSA-N 1 0 334.419 2.941 20 5 EFBDRO CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996439485 1255297082 /nfs/dbraw/zinc/29/70/82/1255297082.db2.gz DOUWCJPKTYTCAX-QZTJIDSGSA-N 1 0 345.443 2.556 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996428477 1255309921 /nfs/dbraw/zinc/30/99/21/1255309921.db2.gz FUUWCDHBTACNNC-QZTJIDSGSA-N 1 0 345.443 2.556 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107220142 1255377372 /nfs/dbraw/zinc/37/73/72/1255377372.db2.gz HOOPNYBIDPNOCU-PLNGDYQASA-N 1 0 346.431 2.555 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107274688 1255515353 /nfs/dbraw/zinc/51/53/53/1255515353.db2.gz HDUZOXDUDYUDBI-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO CC(C)(C(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001107464125 1255904670 /nfs/dbraw/zinc/90/46/70/1255904670.db2.gz QLORVADNOKQCPN-WAYWQWQTSA-N 1 0 346.431 2.554 20 5 EFBDRO O=C(Cc1ccco1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997113422 1256936321 /nfs/dbraw/zinc/93/63/21/1256936321.db2.gz ASWQDBZIBXVSHI-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO O=C(C1CCC1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997464382 1257597207 /nfs/dbraw/zinc/59/72/07/1257597207.db2.gz NKZHNBCINPFVSS-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CC(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997487483 1257774925 /nfs/dbraw/zinc/77/49/25/1257774925.db2.gz NHHMBWAGLVBXJA-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO O=C(c1ccoc1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997540809 1257922906 /nfs/dbraw/zinc/92/29/06/1257922906.db2.gz SZDNNBYNSJWIIT-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997638033 1258141747 /nfs/dbraw/zinc/14/17/47/1258141747.db2.gz PERKBLUUJWLNKI-SREVYHEPSA-N 1 0 343.427 2.889 20 5 EFBDRO CC1(C(=O)N2CCC(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000997798710 1258438307 /nfs/dbraw/zinc/43/83/07/1258438307.db2.gz DTGIMCIXXZGYFY-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CC1(C(=O)N2CCC(C[NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000997801627 1258440763 /nfs/dbraw/zinc/44/07/63/1258440763.db2.gz VIDDCNXMOOCSEK-UHFFFAOYSA-N 1 0 337.445 2.785 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001168601795 1258494546 /nfs/dbraw/zinc/49/45/46/1258494546.db2.gz WEQBSVVQIVBHFT-GJZGRUSLSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000998232589 1259277723 /nfs/dbraw/zinc/27/77/23/1259277723.db2.gz DPYPNBHHQLZYJI-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO Cc1c(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000710889229 1259891562 /nfs/dbraw/zinc/89/15/62/1259891562.db2.gz APOATNKSLGNGGW-UHFFFAOYSA-N 1 0 335.404 2.860 20 5 EFBDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445338 1260675731 /nfs/dbraw/zinc/67/57/31/1260675731.db2.gz HEHFABPOUCZHGY-NSHDSACASA-N 1 0 325.434 2.740 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843128439 1261156958 /nfs/dbraw/zinc/15/69/58/1261156958.db2.gz XLDKZPWLZLTVSZ-GXFFZTMASA-N 1 0 340.221 2.541 20 5 EFBDRO C[C@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923355027 1261550376 /nfs/dbraw/zinc/55/03/76/1261550376.db2.gz DVKYGFBJXLIMTC-CYBMUJFWSA-N 1 0 328.210 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923359640 1261569003 /nfs/dbraw/zinc/56/90/03/1261569003.db2.gz ADZJJDRPAISGMT-IINYFYTJSA-N 1 0 340.221 2.541 20 5 EFBDRO [NH3+]CCC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923387485 1261596884 /nfs/dbraw/zinc/59/68/84/1261596884.db2.gz OQDOQLDFSDJBDM-UHFFFAOYSA-N 1 0 342.237 2.918 20 5 EFBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923421361 1261645022 /nfs/dbraw/zinc/64/50/22/1261645022.db2.gz NDRGTNBXERDYJI-RYUDHWBXSA-N 1 0 328.210 2.573 20 5 EFBDRO [NH3+]CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923555987 1261912745 /nfs/dbraw/zinc/91/27/45/1261912745.db2.gz YWTWRSSKDQHADJ-KSSFIOAISA-N 1 0 327.384 2.581 20 5 EFBDRO [NH3+]CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923555991 1261912871 /nfs/dbraw/zinc/91/28/71/1261912871.db2.gz YWTWRSSKDQHADJ-RDTXWAMCSA-N 1 0 327.384 2.581 20 5 EFBDRO [NH3+]CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000923557125 1261913787 /nfs/dbraw/zinc/91/37/87/1261913787.db2.gz KYLLGLNIFXWURA-AWEZNQCLSA-N 1 0 327.384 2.926 20 5 EFBDRO CN(CC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000730804457 1264442185 /nfs/dbraw/zinc/44/21/85/1264442185.db2.gz TVYOKYWUGQUXGI-UHFFFAOYSA-N 1 0 339.399 2.970 20 5 EFBDRO O=C(NC1CCN(Cc2csc([N+](=O)[O-])c2)CC1)C1(C2CC2)CC1 ZINC001003100968 1264595218 /nfs/dbraw/zinc/59/52/18/1264595218.db2.gz ANCDXXQEOZGIOP-UHFFFAOYSA-N 1 0 349.456 2.927 20 5 EFBDRO Cc1cccc(C)c1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128395902 1264601267 /nfs/dbraw/zinc/60/12/67/1264601267.db2.gz RHDBSJJITJCVCE-UHFFFAOYSA-N 1 0 347.440 2.722 20 5 EFBDRO C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000733156645 1265103571 /nfs/dbraw/zinc/10/35/71/1265103571.db2.gz HPJMUHGHMXPQNZ-XFXZXTDPSA-N 1 0 331.416 2.941 20 5 EFBDRO Cc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000922676762 1266580189 /nfs/dbraw/zinc/58/01/89/1266580189.db2.gz JHJNRXCCHQRIRW-UHFFFAOYSA-N 1 0 348.424 2.639 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824765050 1278271194 /nfs/dbraw/zinc/27/11/94/1278271194.db2.gz SERNFBVEDFFALL-IMJJTQAJSA-N 1 0 331.416 2.687 20 5 EFBDRO COC1CCC([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000734476058 1266996247 /nfs/dbraw/zinc/99/62/47/1266996247.db2.gz BYXLHYLZOPQCEN-UHFFFAOYSA-N 1 0 345.403 2.700 20 5 EFBDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922854046 1267044655 /nfs/dbraw/zinc/04/46/55/1267044655.db2.gz TWGFHDUZWJTHCB-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[NH+](C)CCOC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000734838015 1267127791 /nfs/dbraw/zinc/12/77/91/1267127791.db2.gz LGLYGBDDOATEHA-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000736070584 1267491055 /nfs/dbraw/zinc/49/10/55/1267491055.db2.gz XUOQADUINNHJOU-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000828139880 1267612350 /nfs/dbraw/zinc/61/23/50/1267612350.db2.gz OXOIXEMFTYWZRY-NSHDSACASA-N 1 0 341.770 2.601 20 5 EFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825046436 1278395795 /nfs/dbraw/zinc/39/57/95/1278395795.db2.gz UESRLSQXYMQUBQ-AWEZNQCLSA-N 1 0 343.431 2.518 20 5 EFBDRO COc1ccc(COC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000741029731 1269264188 /nfs/dbraw/zinc/26/41/88/1269264188.db2.gz RNEVVEGLKAJUBS-CYBMUJFWSA-N 1 0 336.388 2.911 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccs1 ZINC001086018161 1269540273 /nfs/dbraw/zinc/54/02/73/1269540273.db2.gz GMOPJPZJAAARRD-XBXGTLAGSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086024145 1269582094 /nfs/dbraw/zinc/58/20/94/1269582094.db2.gz DXGNBBQNFCVXTR-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086057122 1269709694 /nfs/dbraw/zinc/70/96/94/1269709694.db2.gz XMBOGZAVBQOOSN-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086074021 1269793796 /nfs/dbraw/zinc/79/37/96/1269793796.db2.gz ABBPURIQQHRIBS-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000742164053 1269909397 /nfs/dbraw/zinc/90/93/97/1269909397.db2.gz XDHPGJDTGCFCCS-CYBMUJFWSA-N 1 0 346.412 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCCC4(CCOCC4)C3)c2c1 ZINC000742159466 1269920071 /nfs/dbraw/zinc/92/00/71/1269920071.db2.gz RKXZXRBUDOWTSO-UHFFFAOYSA-N 1 0 330.388 2.795 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000742239977 1269949402 /nfs/dbraw/zinc/94/94/02/1269949402.db2.gz PFLXGFJZZVBFOE-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000742239979 1269951652 /nfs/dbraw/zinc/95/16/52/1269951652.db2.gz PFLXGFJZZVBFOE-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000743249160 1270487478 /nfs/dbraw/zinc/48/74/78/1270487478.db2.gz LAGVVYYOPXCKIH-ZWKOTPCHSA-N 1 0 330.384 2.568 20 5 EFBDRO Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000743249158 1270487507 /nfs/dbraw/zinc/48/75/07/1270487507.db2.gz LAGVVYYOPXCKIH-QZTJIDSGSA-N 1 0 330.384 2.568 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743394147 1270563242 /nfs/dbraw/zinc/56/32/42/1270563242.db2.gz JGVGNXMHKVSPMF-SFHVURJKSA-N 1 0 343.431 2.832 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743399450 1270567403 /nfs/dbraw/zinc/56/74/03/1270567403.db2.gz LWEOSFZLNPXGRQ-HNNXBMFYSA-N 1 0 343.431 2.689 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086271390 1270781387 /nfs/dbraw/zinc/78/13/87/1270781387.db2.gz WQJHVHOHEMFRFX-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000843512905 1278586814 /nfs/dbraw/zinc/58/68/14/1278586814.db2.gz ZTQXGLLJBWWUKA-UHFFFAOYSA-N 1 0 344.209 2.606 20 5 EFBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744018738 1270833134 /nfs/dbraw/zinc/83/31/34/1270833134.db2.gz BVDAYWKZIHUULC-UHFFFAOYSA-N 1 0 334.420 2.697 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001086303877 1270912700 /nfs/dbraw/zinc/91/27/00/1270912700.db2.gz AKKKYDRDJXDBAK-CTYIDZIISA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086308448 1270929891 /nfs/dbraw/zinc/92/98/91/1270929891.db2.gz YXNGYCBZSDTRHD-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO CC(C)c1nccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000744401116 1271023923 /nfs/dbraw/zinc/02/39/23/1271023923.db2.gz WJAFIYCQCHUQKU-UHFFFAOYSA-N 1 0 336.779 2.998 20 5 EFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441437 1271049564 /nfs/dbraw/zinc/04/95/64/1271049564.db2.gz PKRALQSNDXBTPS-ZFWWWQNUSA-N 1 0 344.415 2.934 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000843873760 1278608110 /nfs/dbraw/zinc/60/81/10/1278608110.db2.gz SCGJNTRUQFOWLD-CQSZACIVSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000843840971 1278625217 /nfs/dbraw/zinc/62/52/17/1278625217.db2.gz IESKGLKRXVXJFC-LBPRGKRZSA-N 1 0 337.395 2.845 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843890116 1278636859 /nfs/dbraw/zinc/63/68/59/1278636859.db2.gz SSEJNTSAQAKWHC-NSHDSACASA-N 1 0 325.384 2.893 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843890115 1278637128 /nfs/dbraw/zinc/63/71/28/1278637128.db2.gz SSEJNTSAQAKWHC-LLVKDONJSA-N 1 0 325.384 2.893 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746049931 1271744449 /nfs/dbraw/zinc/74/44/49/1271744449.db2.gz YHAKMGHNCUFSST-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCC2CCCC2)CC1 ZINC001045435765 1271980254 /nfs/dbraw/zinc/98/02/54/1271980254.db2.gz AGJOCCMJTXXKDA-HZPDHXFCSA-N 1 0 337.464 2.593 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cnc(C)c1CSCC[NH3+] ZINC001168790511 1272280248 /nfs/dbraw/zinc/28/02/48/1272280248.db2.gz MRMBZEKOWWKAJL-UHFFFAOYSA-N 1 0 336.417 2.598 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168977304 1272547660 /nfs/dbraw/zinc/54/76/60/1272547660.db2.gz JGERTBAKHWDSSI-GLQYFDAESA-N 1 0 340.807 2.979 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001168957789 1272555050 /nfs/dbraw/zinc/55/50/50/1272555050.db2.gz ITZJQGRKJPLZIU-JQWIXIFHSA-N 1 0 333.310 2.558 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956560 1272555376 /nfs/dbraw/zinc/55/53/76/1272555376.db2.gz BQEFZHFPMQZAAT-KBXIAJHMSA-N 1 0 341.452 2.524 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001168965138 1272557717 /nfs/dbraw/zinc/55/77/17/1272557717.db2.gz YIKISMZSTKWYSW-AAEUAGOBSA-N 1 0 343.221 2.863 20 5 EFBDRO CC(C)(C)OC(=O)NCCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963627 1272557992 /nfs/dbraw/zinc/55/79/92/1272557992.db2.gz PGESYTDFDMYIOM-KGLIPLIRSA-N 1 0 329.441 2.716 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Br)cc3C2)C1 ZINC001168964424 1272558377 /nfs/dbraw/zinc/55/83/77/1272558377.db2.gz SGYKAQMCLXQWJA-WKPIXPDZSA-N 1 0 339.233 2.951 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965302 1272558442 /nfs/dbraw/zinc/55/84/42/1272558442.db2.gz ZKJGHVOIUHTHDZ-KFWWJZLASA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001168966812 1272559205 /nfs/dbraw/zinc/55/92/05/1272559205.db2.gz LHASTIKBFJAUEK-CRAIPNDOSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)C1 ZINC001168968375 1272561477 /nfs/dbraw/zinc/56/14/77/1272561477.db2.gz YICDMNHFOMEECD-WMLDXEAASA-N 1 0 335.423 2.825 20 5 EFBDRO CCOC(=O)CCc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168991624 1272568987 /nfs/dbraw/zinc/56/89/87/1272568987.db2.gz IEMFPJIEYSTIKD-IRXDYDNUSA-N 1 0 334.416 2.717 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991566 1272569105 /nfs/dbraw/zinc/56/91/05/1272569105.db2.gz HPMFHBGVDVMWEP-DOTOQJQBSA-N 1 0 348.443 2.778 20 5 EFBDRO O=C(C1CCCCC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993248 1272570377 /nfs/dbraw/zinc/57/03/77/1272570377.db2.gz MCRAPUFFDXBYDT-YOEHRIQHSA-N 1 0 337.464 2.593 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001168992024 1272570517 /nfs/dbraw/zinc/57/05/17/1272570517.db2.gz JARSAEHTJYYMKA-OIISXLGYSA-N 1 0 337.851 2.949 20 5 EFBDRO O=C1CCCCCN1c1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168997016 1272573002 /nfs/dbraw/zinc/57/30/02/1272573002.db2.gz BAHZUGILMOXSPI-CVEARBPZSA-N 1 0 346.431 2.524 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)C1 ZINC001168997147 1272573214 /nfs/dbraw/zinc/57/32/14/1272573214.db2.gz XXQLGAWREVOOLM-IMJJTQAJSA-N 1 0 337.851 2.949 20 5 EFBDRO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997080 1272573654 /nfs/dbraw/zinc/57/36/54/1272573654.db2.gz XMKHICKBVMYADI-OLZOCXBDSA-N 1 0 329.441 2.715 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)C1 ZINC001168997451 1272573686 /nfs/dbraw/zinc/57/36/86/1272573686.db2.gz ZLKVFSURDGYUKI-UAGQMJEPSA-N 1 0 337.851 2.949 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2cccc(F)c2)C1 ZINC001168997474 1272574972 /nfs/dbraw/zinc/57/49/72/1272574972.db2.gz ZSOWRYHNFPREJD-GOEBONIOSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccccc1CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998136 1272575047 /nfs/dbraw/zinc/57/50/47/1272575047.db2.gz IRONLEOPDVZQTD-NVXWUHKLSA-N 1 0 348.443 2.822 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2cccc(F)c2)C1 ZINC001168997476 1272575223 /nfs/dbraw/zinc/57/52/23/1272575223.db2.gz ZSOWRYHNFPREJD-ZBFHGGJFSA-N 1 0 332.379 2.606 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCOCC2)C1 ZINC001169000946 1272577615 /nfs/dbraw/zinc/57/76/15/1272577615.db2.gz ZSXVKOIOJWDTPD-GOEBONIOSA-N 1 0 336.407 2.952 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001169005321 1272579068 /nfs/dbraw/zinc/57/90/68/1272579068.db2.gz ALLCHVCWCNOYFF-ZIAGYGMSSA-N 1 0 326.437 2.924 20 5 EFBDRO [NH3+]Cc1cccc(Br)c1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004157 1272579248 /nfs/dbraw/zinc/57/92/48/1272579248.db2.gz QICSKZVHQOSHQD-KOLCDFICSA-N 1 0 328.210 2.765 20 5 EFBDRO CC[C@]1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001169005883 1272580201 /nfs/dbraw/zinc/58/02/01/1272580201.db2.gz VMZPWZAAVLHWNI-VBQJREDUSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006763 1272580439 /nfs/dbraw/zinc/58/04/39/1272580439.db2.gz YVIJWYVUBFYJOO-KKUMJFAQSA-N 1 0 343.468 2.961 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009747 1272582822 /nfs/dbraw/zinc/58/28/22/1272582822.db2.gz XXTTZGYNZDEUPL-MAUKXSAKSA-N 1 0 326.400 2.924 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010697 1272583045 /nfs/dbraw/zinc/58/30/45/1272583045.db2.gz FQIGSTQXFHQQHA-IAGOWNOFSA-N 1 0 334.416 2.887 20 5 EFBDRO COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011829 1272584479 /nfs/dbraw/zinc/58/44/79/1272584479.db2.gz MPQYMDSCBNYWJM-IRXDYDNUSA-N 1 0 334.416 2.887 20 5 EFBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169011682 1272585282 /nfs/dbraw/zinc/58/52/82/1272585282.db2.gz MDFYRLUYAJMKMX-RBSFLKMASA-N 1 0 341.452 2.763 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169012902 1272585768 /nfs/dbraw/zinc/58/57/68/1272585768.db2.gz SMQFMRJTCYXZEM-BARDWOONSA-N 1 0 341.452 2.762 20 5 EFBDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987873 1272588315 /nfs/dbraw/zinc/58/83/15/1272588315.db2.gz KZRGSBPYENKKDL-TUVASFSCSA-N 1 0 341.452 2.809 20 5 EFBDRO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)co2)cc1 ZINC001168987925 1272588638 /nfs/dbraw/zinc/58/86/38/1272588638.db2.gz LIMATWMPWIQEMS-TZMCWYRMSA-N 1 0 331.372 2.885 20 5 EFBDRO CCCN(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168986772 1272588864 /nfs/dbraw/zinc/58/88/64/1272588864.db2.gz ZCTQNJWTIVTMLR-UONOGXRCSA-N 1 0 329.441 2.669 20 5 EFBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990643 1272590483 /nfs/dbraw/zinc/59/04/83/1272590483.db2.gz CXIJGTYADGNPES-SJLPKXTDSA-N 1 0 345.443 2.574 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)C1 ZINC001169027868 1272592073 /nfs/dbraw/zinc/59/20/73/1272592073.db2.gz RJAJPEJHKHBQGV-KWCYVHTRSA-N 1 0 326.343 2.863 20 5 EFBDRO O=C1Nc2c(cccc2F)C12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169030397 1272594625 /nfs/dbraw/zinc/59/46/25/1272594625.db2.gz ZPLYZVNWQJSJMO-QWHCGFSZSA-N 1 0 347.390 2.557 20 5 EFBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)Oc2ccccc21 ZINC001169033221 1272596176 /nfs/dbraw/zinc/59/61/76/1272596176.db2.gz BKWGPFAAQORKII-CABCVRRESA-N 1 0 344.411 2.932 20 5 EFBDRO CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169033677 1272597242 /nfs/dbraw/zinc/59/72/42/1272597242.db2.gz DIIGLKYMBZXLGG-DGCLKSJQSA-N 1 0 338.429 2.728 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)C1 ZINC001169034029 1272597359 /nfs/dbraw/zinc/59/73/59/1272597359.db2.gz FFRYCTIVGDNROZ-XWSJACJDSA-N 1 0 329.444 2.638 20 5 EFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034952 1272598231 /nfs/dbraw/zinc/59/82/31/1272598231.db2.gz ITEBMNYOTUIHHO-SOUVJXGZSA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001169035135 1272598961 /nfs/dbraw/zinc/59/89/61/1272598961.db2.gz AKSLWYWRZGGDBS-XQLPTFJDSA-N 1 0 341.452 2.762 20 5 EFBDRO COc1cccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169035145 1272599259 /nfs/dbraw/zinc/59/92/59/1272599259.db2.gz ALGWZZOGQUEHHO-PBHICJAKSA-N 1 0 333.432 2.699 20 5 EFBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169035571 1272599476 /nfs/dbraw/zinc/59/94/76/1272599476.db2.gz CEIFRBPAGXIVDF-DOTOQJQBSA-N 1 0 333.432 2.653 20 5 EFBDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035791 1272600560 /nfs/dbraw/zinc/60/05/60/1272600560.db2.gz CIKWJOZQNHAYKV-BHYGNILZSA-N 1 0 336.432 2.978 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001169036062 1272601375 /nfs/dbraw/zinc/60/13/75/1272601375.db2.gz MVIGYNHVDUGJFX-MWLCHTKSSA-N 1 0 348.325 2.713 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169037185 1272603404 /nfs/dbraw/zinc/60/34/04/1272603404.db2.gz RANPDWQISODZEL-SJLPKXTDSA-N 1 0 335.423 2.779 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169037183 1272603907 /nfs/dbraw/zinc/60/39/07/1272603907.db2.gz RANPDWQISODZEL-FUHWJXTLSA-N 1 0 335.423 2.779 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169038364 1272604718 /nfs/dbraw/zinc/60/47/18/1272604718.db2.gz YIBQLMKMLPQPOV-KGLIPLIRSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC001169038950 1272605015 /nfs/dbraw/zinc/60/50/15/1272605015.db2.gz LTTRNYRBXRUYQD-JXFKEZNVSA-N 1 0 343.471 2.955 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038329 1272605203 /nfs/dbraw/zinc/60/52/03/1272605203.db2.gz YDDUQFGHYPFUED-GWCFXTLKSA-N 1 0 329.322 2.904 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038305 1272605947 /nfs/dbraw/zinc/60/59/47/1272605947.db2.gz XXJKVRXALDKRGT-GXTWGEPZSA-N 1 0 325.359 2.532 20 5 EFBDRO CC(C)(C)OC(=O)CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038902 1272606303 /nfs/dbraw/zinc/60/63/03/1272606303.db2.gz LEKFWOCEMSMLEB-HUUCEWRRSA-N 1 0 326.437 2.876 20 5 EFBDRO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039713 1272608153 /nfs/dbraw/zinc/60/81/53/1272608153.db2.gz SNQLPMGBINGYTM-YQQAZPJKSA-N 1 0 336.432 2.884 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)C1 ZINC001169040198 1272611171 /nfs/dbraw/zinc/61/11/71/1272611171.db2.gz YPNHLKUTBNONDZ-XQLPTFJDSA-N 1 0 338.411 2.962 20 5 EFBDRO CN(C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169040004 1272611507 /nfs/dbraw/zinc/61/15/07/1272611507.db2.gz WTXSILUTTBJHPK-QLFBSQMISA-N 1 0 341.452 2.621 20 5 EFBDRO O=C(C1CCCCC1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169045634 1272612959 /nfs/dbraw/zinc/61/29/59/1272612959.db2.gz JOPZPUFUXKLVAL-WBVHZDCISA-N 1 0 337.464 2.546 20 5 EFBDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043602 1272614508 /nfs/dbraw/zinc/61/45/08/1272614508.db2.gz HEPGLBSBBRQVEQ-KGLIPLIRSA-N 1 0 329.441 2.621 20 5 EFBDRO C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169045511 1272621918 /nfs/dbraw/zinc/62/19/18/1272621918.db2.gz JKEQMSVTGUNESU-KKUMJFAQSA-N 1 0 341.452 2.763 20 5 EFBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026791 1272623481 /nfs/dbraw/zinc/62/34/81/1272623481.db2.gz ODDSULRPGDRSHZ-ARFHVFGLSA-N 1 0 334.416 2.984 20 5 EFBDRO C[C@H]1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169047877 1272627274 /nfs/dbraw/zinc/62/72/74/1272627274.db2.gz SEDOFOLAONWQEW-AJNGGQMLSA-N 1 0 341.452 2.762 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047913 1272627678 /nfs/dbraw/zinc/62/76/78/1272627678.db2.gz SMQFMRJTCYXZEM-APIJFGDWSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001169050488 1272628525 /nfs/dbraw/zinc/62/85/25/1272628525.db2.gz ZVHDGZCATHDUCE-ZIAGYGMSSA-N 1 0 339.386 2.528 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169050433 1272629178 /nfs/dbraw/zinc/62/91/78/1272629178.db2.gz ZPGBDCKNJUMEMF-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053108 1272631622 /nfs/dbraw/zinc/63/16/22/1272631622.db2.gz HMKKYDQCJFHOAZ-CKEIUWERSA-N 1 0 341.452 2.669 20 5 EFBDRO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056796 1272631992 /nfs/dbraw/zinc/63/19/92/1272631992.db2.gz SOWAWFFDLTUABG-VKJFTORMSA-N 1 0 335.423 2.950 20 5 EFBDRO COc1nc(C)nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169138939 1272697889 /nfs/dbraw/zinc/69/78/89/1272697889.db2.gz WVVOSTMKNYRXIN-MEDUHNTESA-N 1 0 337.424 2.657 20 5 EFBDRO COc1nc(C)nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169138938 1272698346 /nfs/dbraw/zinc/69/83/46/1272698346.db2.gz WVVOSTMKNYRXIN-BZNIZROVSA-N 1 0 337.424 2.657 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ncc2c1cccc2C[NH3+] ZINC001169192183 1272732085 /nfs/dbraw/zinc/73/20/85/1272732085.db2.gz LTYWHGFQGQVSQG-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cnc(F)c([N+](=O)[O-])c3)c2C1 ZINC001171099232 1278733001 /nfs/dbraw/zinc/73/30/01/1278733001.db2.gz LYLSVLLSDKZFQT-JTQLQIEISA-N 1 0 326.331 2.889 20 5 EFBDRO COc1nc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)nc(C)c1[N+](=O)[O-] ZINC001169684002 1273089453 /nfs/dbraw/zinc/08/94/53/1273089453.db2.gz QFZYUNWOCHCWQK-CYBMUJFWSA-N 1 0 343.387 2.942 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001169695549 1273097458 /nfs/dbraw/zinc/09/74/58/1273097458.db2.gz GOWWZOUYFYIURO-CQSZACIVSA-N 1 0 328.372 2.534 20 5 EFBDRO [NH3+]CCc1cn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)c2cccnc12 ZINC001169706507 1273110262 /nfs/dbraw/zinc/11/02/62/1273110262.db2.gz RIUIKGHEPLWZCQ-UHFFFAOYSA-N 1 0 337.383 2.709 20 5 EFBDRO CCC(=O)N1CCC2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035146357 1273633980 /nfs/dbraw/zinc/63/39/80/1273633980.db2.gz DIFXNMVFQMHOLK-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109489874 1274341454 /nfs/dbraw/zinc/34/14/54/1274341454.db2.gz TZYQSCGHYQFVHB-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001109547505 1274407337 /nfs/dbraw/zinc/40/73/37/1274407337.db2.gz CEGIXXVMNXUAAO-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109547882 1274408345 /nfs/dbraw/zinc/40/83/45/1274408345.db2.gz ZUDASRQVLKYHJL-UHFFFAOYSA-N 1 0 336.436 2.586 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000785808012 1275193776 /nfs/dbraw/zinc/19/37/76/1275193776.db2.gz WMKCNYUQFCYMQH-RYUDHWBXSA-N 1 0 325.796 2.832 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(c3)COC4)CC2)n1 ZINC000785857357 1275217686 /nfs/dbraw/zinc/21/76/86/1275217686.db2.gz IFPCZZTYAJWPCU-UHFFFAOYSA-N 1 0 328.372 2.659 20 5 EFBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1)C(F)F ZINC001115376173 1275385456 /nfs/dbraw/zinc/38/54/56/1275385456.db2.gz IKFCUMVAYYPNFO-UHFFFAOYSA-N 1 0 341.358 2.769 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786859483 1275558194 /nfs/dbraw/zinc/55/81/94/1275558194.db2.gz SYEPMNYOLUGQSH-AWEZNQCLSA-N 1 0 334.420 2.561 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000787418735 1275769587 /nfs/dbraw/zinc/76/95/87/1275769587.db2.gz QNBZYWJLLMLRSS-UKTHLTGXSA-N 1 0 331.372 2.573 20 5 EFBDRO C[NH+]1CC(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001170253884 1278973434 /nfs/dbraw/zinc/97/34/34/1278973434.db2.gz SJFROFBBEKPYKV-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294550 1278979066 /nfs/dbraw/zinc/97/90/66/1278979066.db2.gz AVEJFWWFQMELBZ-SJKOYZFVSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3nonc3c2)c([N+](=O)[O-])c1 ZINC001170295250 1278979446 /nfs/dbraw/zinc/97/94/46/1278979446.db2.gz BWNMKGOPCFCOQV-NSHDSACASA-N 1 0 342.355 2.860 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170296715 1278981275 /nfs/dbraw/zinc/98/12/75/1278981275.db2.gz HTKJOEUAWRXRMU-LBPRGKRZSA-N 1 0 338.404 2.856 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170298419 1278981394 /nfs/dbraw/zinc/98/13/94/1278981394.db2.gz LNNKKSNDLKGBIH-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297554 1278981617 /nfs/dbraw/zinc/98/16/17/1278981617.db2.gz PECMPLQKAWJSGM-WMLDXEAASA-N 1 0 344.411 2.728 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170304496 1278990381 /nfs/dbraw/zinc/99/03/81/1278990381.db2.gz CPVYUIGVOQQKGS-CHWSQXEVSA-N 1 0 330.388 2.545 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(CCO)c2)c([N+](=O)[O-])c1 ZINC001170318678 1279012549 /nfs/dbraw/zinc/01/25/49/1279012549.db2.gz RMRTZQRYPPQRPM-AWEZNQCLSA-N 1 0 344.411 2.859 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673908 1276254158 /nfs/dbraw/zinc/25/41/58/1276254158.db2.gz YYROWRWUFUOTIM-LXIYXOSZSA-N 1 0 329.400 2.820 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCc3nccnc32)c([N+](=O)[O-])c1 ZINC001170323462 1279014997 /nfs/dbraw/zinc/01/49/97/1279014997.db2.gz KVTOUQDNUOKMIF-MLGOLLRUSA-N 1 0 342.399 2.992 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665485 1276264880 /nfs/dbraw/zinc/26/48/80/1276264880.db2.gz OEAIRCIXCIHBOI-LBPRGKRZSA-N 1 0 338.371 2.609 20 5 EFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756936 1276290170 /nfs/dbraw/zinc/29/01/70/1276290170.db2.gz JYFYFBZNXIRSFA-CJNGLKHVSA-N 1 0 329.400 2.740 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170325873 1279018595 /nfs/dbraw/zinc/01/85/95/1279018595.db2.gz BDCBLUQTFFEDDM-RCBQFDQVSA-N 1 0 349.431 2.571 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@](O)(CF)C2)c([N+](=O)[O-])c1 ZINC001170327810 1279019458 /nfs/dbraw/zinc/01/94/58/1279019458.db2.gz HZTZNCYFPXNSFJ-SUMWQHHRSA-N 1 0 340.395 2.721 20 5 EFBDRO CC[N@H+](CCCC(=O)OC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170328258 1279019627 /nfs/dbraw/zinc/01/96/27/1279019627.db2.gz IQMOAMVOSKCDMX-CYBMUJFWSA-N 1 0 338.404 2.810 20 5 EFBDRO CCc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000788817423 1276336063 /nfs/dbraw/zinc/33/60/63/1276336063.db2.gz ZXHVAAJNVIPFTB-QZTJIDSGSA-N 1 0 330.384 2.514 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000788963795 1276415593 /nfs/dbraw/zinc/41/55/93/1276415593.db2.gz GFGUYFUVIDNCIF-UHFFFAOYSA-N 1 0 334.372 2.569 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352352 1279032211 /nfs/dbraw/zinc/03/22/11/1279032211.db2.gz MHCBPRLSLRGZJV-GDBMZVCRSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC001170353089 1279032525 /nfs/dbraw/zinc/03/25/25/1279032525.db2.gz VOYJRCUODOTXSU-RISCZKNCSA-N 1 0 346.387 2.715 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818291700 1276503856 /nfs/dbraw/zinc/50/38/56/1276503856.db2.gz SYHGQDSUXQUIBM-LLVKDONJSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000818519542 1276524965 /nfs/dbraw/zinc/52/49/65/1276524965.db2.gz ZVOGGDLGNOBQKG-XPTSAGLGSA-N 1 0 343.786 2.516 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818554517 1276533119 /nfs/dbraw/zinc/53/31/19/1276533119.db2.gz SHZGMQMIEHDNBQ-UHFFFAOYSA-N 1 0 331.775 2.564 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC000818565342 1276535520 /nfs/dbraw/zinc/53/55/20/1276535520.db2.gz WWCUQINKPZIBQD-NSHDSACASA-N 1 0 346.774 2.712 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 ZINC000818564854 1276535578 /nfs/dbraw/zinc/53/55/78/1276535578.db2.gz OSWXWJGRPBDGMR-SNVBAGLBSA-N 1 0 346.774 2.712 20 5 EFBDRO C[N@H+](CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818943862 1276553614 /nfs/dbraw/zinc/55/36/14/1276553614.db2.gz ZWRAVWQMZMFPJY-IBGZPJMESA-N 1 0 343.427 2.740 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000818956885 1276558309 /nfs/dbraw/zinc/55/83/09/1276558309.db2.gz ATSPPFNGWPXGRW-QZTJIDSGSA-N 1 0 335.448 2.728 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000818956397 1276558637 /nfs/dbraw/zinc/55/86/37/1276558637.db2.gz LAWXEDJKVGBDGV-RDTXWAMCSA-N 1 0 329.400 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000818990854 1276565567 /nfs/dbraw/zinc/56/55/67/1276565567.db2.gz QIIJVRGWTKPWQZ-KRWDZBQOSA-N 1 0 343.383 2.602 20 5 EFBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818990155 1276565682 /nfs/dbraw/zinc/56/56/82/1276565682.db2.gz GGVBLMLBRRBMDD-ROUUACIJSA-N 1 0 335.448 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000819008177 1276570437 /nfs/dbraw/zinc/57/04/37/1276570437.db2.gz NEDFJHGQAKNOIX-INIZCTEOSA-N 1 0 344.367 2.579 20 5 EFBDRO CCCCOc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975759 1276576013 /nfs/dbraw/zinc/57/60/13/1276576013.db2.gz VIGARJYGIYFIEC-QGZVFWFLSA-N 1 0 345.399 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000819047601 1276580168 /nfs/dbraw/zinc/58/01/68/1276580168.db2.gz YACGOAPXDXPXPA-MRXNPFEDSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC000819060228 1276586368 /nfs/dbraw/zinc/58/63/68/1276586368.db2.gz MEOZYHCHOBQVKO-QZTJIDSGSA-N 1 0 328.368 2.532 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000819059242 1276586631 /nfs/dbraw/zinc/58/66/31/1276586631.db2.gz DLVDMPMEOWZLJJ-ROUUACIJSA-N 1 0 328.368 2.532 20 5 EFBDRO COCc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000819037335 1276597327 /nfs/dbraw/zinc/59/73/27/1276597327.db2.gz OEVPZEIFSGEAKC-QGZVFWFLSA-N 1 0 334.347 2.704 20 5 EFBDRO COc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116103 1276637567 /nfs/dbraw/zinc/63/75/67/1276637567.db2.gz NLVMRNAJLOAEKS-CZUORRHYSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819116252 1276638305 /nfs/dbraw/zinc/63/83/05/1276638305.db2.gz VAWPPRFEIVFULL-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819171626 1276654300 /nfs/dbraw/zinc/65/43/00/1276654300.db2.gz KPKVZXBIOXEKSZ-MRXNPFEDSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819171932 1276654858 /nfs/dbraw/zinc/65/48/58/1276654858.db2.gz RRIGVNXGLSMBNZ-HNNXBMFYSA-N 1 0 330.384 2.741 20 5 EFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819176153 1276657569 /nfs/dbraw/zinc/65/75/69/1276657569.db2.gz CGARDGZHFJJICL-SCLBCKFNSA-N 1 0 330.384 2.945 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000819194481 1276668983 /nfs/dbraw/zinc/66/89/83/1276668983.db2.gz RVAQEYXLINFXMM-HNNXBMFYSA-N 1 0 347.440 2.796 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000819194971 1276669823 /nfs/dbraw/zinc/66/98/23/1276669823.db2.gz WANHFGDVMLARLN-HNNXBMFYSA-N 1 0 347.440 2.796 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000819196975 1276671135 /nfs/dbraw/zinc/67/11/35/1276671135.db2.gz GBEQZUIAESNKAB-KBXIAJHMSA-N 1 0 340.470 2.597 20 5 EFBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819214302 1276692400 /nfs/dbraw/zinc/69/24/00/1276692400.db2.gz SKVPWBLEAUZMOI-MRXNPFEDSA-N 1 0 345.399 2.990 20 5 EFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819221075 1276695105 /nfs/dbraw/zinc/69/51/05/1276695105.db2.gz ICBCQTBLPJOZIA-LPHOPBHVSA-N 1 0 342.395 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000819307611 1276712848 /nfs/dbraw/zinc/71/28/48/1276712848.db2.gz BFFMMJQULROHQC-MRXNPFEDSA-N 1 0 327.384 2.735 20 5 EFBDRO CCO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819267425 1276720153 /nfs/dbraw/zinc/72/01/53/1276720153.db2.gz TZXRLKTZCQICFR-ZWKOTPCHSA-N 1 0 330.384 2.996 20 5 EFBDRO CC[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819339261 1276734062 /nfs/dbraw/zinc/73/40/62/1276734062.db2.gz NCSBHCOBBGFMKA-DGCLKSJQSA-N 1 0 336.310 2.575 20 5 EFBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819352305 1276739062 /nfs/dbraw/zinc/73/90/62/1276739062.db2.gz LMTHVRGOQRRHKL-KSZLIROESA-N 1 0 328.368 2.783 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000819351689 1276739768 /nfs/dbraw/zinc/73/97/68/1276739768.db2.gz BKEJLFLKZFOVQU-ZTFGCOKTSA-N 1 0 343.383 2.533 20 5 EFBDRO CC[C@H](C)N[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000819386562 1276767444 /nfs/dbraw/zinc/76/74/44/1276767444.db2.gz AXEQHCOXNIMTKN-JQFCIGGWSA-N 1 0 347.415 2.940 20 5 EFBDRO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000819892492 1276938203 /nfs/dbraw/zinc/93/82/03/1276938203.db2.gz IOVNQHKNSCSUMF-MRXNPFEDSA-N 1 0 340.383 2.780 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000819947262 1276964560 /nfs/dbraw/zinc/96/45/60/1276964560.db2.gz XGAWUUVVENGDGL-HNAYVOBHSA-N 1 0 338.411 2.888 20 5 EFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000820139541 1277042993 /nfs/dbraw/zinc/04/29/93/1277042993.db2.gz GHYOHYLUJBXADP-UHFFFAOYSA-N 1 0 343.387 2.847 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170336198 1279026303 /nfs/dbraw/zinc/02/63/03/1279026303.db2.gz VWHGOGZUQLNKBX-HNNXBMFYSA-N 1 0 335.448 2.808 20 5 EFBDRO COc1ccc(C[C@@H](C)n2c(C)nc3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170334536 1279026855 /nfs/dbraw/zinc/02/68/55/1279026855.db2.gz GLHAZLDXJBBPDT-GFCCVEGCSA-N 1 0 344.415 2.600 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)c([N+](=O)[O-])c1 ZINC001170306629 1279027894 /nfs/dbraw/zinc/02/78/94/1279027894.db2.gz YZDKCBVCTBMOOJ-JQFCIGGWSA-N 1 0 335.448 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2cccs2)c([N+](=O)[O-])c1 ZINC001170306472 1279029203 /nfs/dbraw/zinc/02/92/03/1279029203.db2.gz VVTZTHWTEDWYBG-BXUZGUMPSA-N 1 0 336.413 2.919 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170306659 1279029206 /nfs/dbraw/zinc/02/92/06/1279029206.db2.gz ZKFYYLDRPPZXNC-SJKOYZFVSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)nn2)c([N+](=O)[O-])c1 ZINC001170306594 1279029223 /nfs/dbraw/zinc/02/92/23/1279029223.db2.gz YHQPIQKNWMLDIS-JTQLQIEISA-N 1 0 336.779 2.768 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000820608186 1277266247 /nfs/dbraw/zinc/26/62/47/1277266247.db2.gz GHNCOROKYCMSHA-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820663606 1277269655 /nfs/dbraw/zinc/26/96/55/1277269655.db2.gz AWUZNZYXSGMNGQ-UHFFFAOYSA-N 1 0 345.802 2.670 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000820670661 1277273169 /nfs/dbraw/zinc/27/31/69/1277273169.db2.gz UORXMUJCZNPRDM-UHFFFAOYSA-N 1 0 343.786 2.688 20 5 EFBDRO [NH2+]=C(COc1ccccc1)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000820701015 1277284254 /nfs/dbraw/zinc/28/42/54/1277284254.db2.gz HFUFSJBWRADQTC-UHFFFAOYSA-N 1 0 337.282 2.950 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[NH+]1CCCC1 ZINC000790265577 1277407584 /nfs/dbraw/zinc/40/75/84/1277407584.db2.gz DDNGEOSQYDUZRE-UHFFFAOYSA-N 1 0 341.795 2.567 20 5 EFBDRO CSc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923272748 1277444582 /nfs/dbraw/zinc/44/45/82/1277444582.db2.gz PTCLUUVNFRZIMX-NEPJUHHUSA-N 1 0 335.429 2.625 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000923289406 1277502933 /nfs/dbraw/zinc/50/29/33/1277502933.db2.gz IASVCYMNSJPWMD-RNCFNFMXSA-N 1 0 328.210 2.526 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NCc1cc([N+](=O)[O-])ccc1Br ZINC000923295878 1277525097 /nfs/dbraw/zinc/52/50/97/1277525097.db2.gz JLTBXWAQCATKKI-ZDUSSCGKSA-N 1 0 330.226 2.820 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000790543306 1277655081 /nfs/dbraw/zinc/65/50/81/1277655081.db2.gz OMLGNWQRJAFQMA-AWEZNQCLSA-N 1 0 327.384 2.698 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)C ZINC000790626564 1277701300 /nfs/dbraw/zinc/70/13/00/1277701300.db2.gz GNBAWFARXHOSDW-UHFFFAOYSA-N 1 0 345.802 2.776 20 5 EFBDRO O=C(Cc1ccc(F)cc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175041382 1287303683 /nfs/dbraw/zinc/30/36/83/1287303683.db2.gz GTZMDWQUNKKPNK-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000790999117 1277899327 /nfs/dbraw/zinc/89/93/27/1277899327.db2.gz NCVGRXPBPWYPSP-UHFFFAOYSA-N 1 0 349.412 2.565 20 5 EFBDRO Cc1csc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001157565528 1277941985 /nfs/dbraw/zinc/94/19/85/1277941985.db2.gz IDWNCBZIHGQLII-UHFFFAOYSA-N 1 0 339.442 2.936 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000791116019 1277951661 /nfs/dbraw/zinc/95/16/61/1277951661.db2.gz DGHWGGYXKNNCPG-CQSZACIVSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791378820 1278053010 /nfs/dbraw/zinc/05/30/10/1278053010.db2.gz CHCTZMRPFUPZOC-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO C[NH2+]Cc1c(C)nn([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170351055 1279057497 /nfs/dbraw/zinc/05/74/97/1279057497.db2.gz DRLZZSQCXMBTGM-NSHDSACASA-N 1 0 332.404 2.940 20 5 EFBDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000844737470 1279244265 /nfs/dbraw/zinc/24/42/65/1279244265.db2.gz DULPAEAOWUWKKE-HNNXBMFYSA-N 1 0 330.388 2.855 20 5 EFBDRO COC1CC[NH+](CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845499984 1279684277 /nfs/dbraw/zinc/68/42/77/1279684277.db2.gz SVXOAMLPTYWSKN-UHFFFAOYSA-N 1 0 331.775 2.910 20 5 EFBDRO Cc1nn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000793745793 1279859995 /nfs/dbraw/zinc/85/99/95/1279859995.db2.gz TZENKRPIMAHQOC-HNNXBMFYSA-N 1 0 344.415 2.959 20 5 EFBDRO COc1cc(OC)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC000845970699 1279946326 /nfs/dbraw/zinc/94/63/26/1279946326.db2.gz QLYMKFPJRVJGBD-UHFFFAOYSA-N 1 0 349.362 2.716 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCOCC1 ZINC000872016694 1287400553 /nfs/dbraw/zinc/40/05/53/1287400553.db2.gz MWMAJQFOONXMIA-CYBMUJFWSA-N 1 0 339.461 2.690 20 5 EFBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872024318 1287403970 /nfs/dbraw/zinc/40/39/70/1287403970.db2.gz QBYHMWOSANYLDS-NSHDSACASA-N 1 0 325.434 2.884 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])c3nncn3c2)CC1(C)C ZINC001170451470 1280214635 /nfs/dbraw/zinc/21/46/35/1280214635.db2.gz NOVWXHODIJGUDT-UHFFFAOYSA-N 1 0 332.408 2.701 20 5 EFBDRO CCc1nncn1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040962 1287409460 /nfs/dbraw/zinc/40/94/60/1287409460.db2.gz OPXFVAOXUCZWNG-LLVKDONJSA-N 1 0 335.433 2.821 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000804563954 1280287638 /nfs/dbraw/zinc/28/76/38/1280287638.db2.gz GMUISLKATLODLZ-JSGCOSHPSA-N 1 0 346.387 2.956 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000872048216 1287411788 /nfs/dbraw/zinc/41/17/88/1287411788.db2.gz HLUMMVDBFFEPJB-VXGBXAGGSA-N 1 0 337.445 2.977 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815289266 1287413199 /nfs/dbraw/zinc/41/31/99/1287413199.db2.gz XKMMSCMSTUSFGY-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOC1 ZINC000872062387 1287416714 /nfs/dbraw/zinc/41/67/14/1287416714.db2.gz MKPOGKSWFJNLKL-XHDPSFHLSA-N 1 0 326.418 2.773 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000872070448 1287419833 /nfs/dbraw/zinc/41/98/33/1287419833.db2.gz ZYYUPKBZDIMFOB-JTQLQIEISA-N 1 0 344.458 2.545 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000846693539 1280420455 /nfs/dbraw/zinc/42/04/55/1280420455.db2.gz ILNMIVYXQPFTRP-GWCFXTLKSA-N 1 0 325.796 2.838 20 5 EFBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091358786 1280427862 /nfs/dbraw/zinc/42/78/62/1280427862.db2.gz MEGKDICGOZHMMX-GASCZTMLSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872108618 1287431382 /nfs/dbraw/zinc/43/13/82/1287431382.db2.gz BFFXARLQKTZGCO-VIFPVBQESA-N 1 0 343.309 2.743 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000846945376 1280647279 /nfs/dbraw/zinc/64/72/79/1280647279.db2.gz ZQDZAICMSKGRFA-KRWDZBQOSA-N 1 0 333.432 2.579 20 5 EFBDRO CC(C)c1ncsc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134983630 1287459800 /nfs/dbraw/zinc/45/98/00/1287459800.db2.gz VMZBYYYKXFGRPA-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001146655987 1280961399 /nfs/dbraw/zinc/96/13/99/1280961399.db2.gz RUYFLYDMMAOEHR-UHFFFAOYSA-N 1 0 329.397 2.535 20 5 EFBDRO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147106728 1281108028 /nfs/dbraw/zinc/10/80/28/1281108028.db2.gz YPRWKZIJJJULPJ-SYZQJQIISA-N 1 0 343.427 2.985 20 5 EFBDRO [NH3+]CCOCCOCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001170512347 1281158838 /nfs/dbraw/zinc/15/88/38/1281158838.db2.gz ACUSWUDCXSKRQG-UHFFFAOYSA-N 1 0 345.399 2.666 20 5 EFBDRO CCCc1occc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147748123 1281263248 /nfs/dbraw/zinc/26/32/48/1281263248.db2.gz IINXWYAPQCNKEO-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3nc(C4CC4)nc(Cl)c3[N+](=O)[O-])nc2c1 ZINC001171314466 1281314202 /nfs/dbraw/zinc/31/42/02/1281314202.db2.gz CFXKJGIKUQIARI-UHFFFAOYSA-N 1 0 344.762 2.713 20 5 EFBDRO CCn1c(C)cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001130964147 1281332504 /nfs/dbraw/zinc/33/25/04/1281332504.db2.gz WMXMKWYBLHYEKM-UHFFFAOYSA-N 1 0 344.415 2.553 20 5 EFBDRO Cc1oc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001131043326 1281414116 /nfs/dbraw/zinc/41/41/16/1281414116.db2.gz DKRFMVODQURRSE-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808132299 1281548257 /nfs/dbraw/zinc/54/82/57/1281548257.db2.gz ALXATLLLFCWLDF-UHFFFAOYSA-N 1 0 328.844 2.568 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000808132003 1281548480 /nfs/dbraw/zinc/54/84/80/1281548480.db2.gz ZORYVNHZFPZXDR-UHFFFAOYSA-N 1 0 328.844 2.568 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158264465 1281553035 /nfs/dbraw/zinc/55/30/35/1281553035.db2.gz BPXPPIUZCFFEMI-BDJLRTHQSA-N 1 0 337.424 2.657 20 5 EFBDRO CCOC1CC([N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808213991 1281604847 /nfs/dbraw/zinc/60/48/47/1281604847.db2.gz WDGKAJJBGZQPLK-UHFFFAOYSA-N 1 0 330.388 2.915 20 5 EFBDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000872274420 1287516730 /nfs/dbraw/zinc/51/67/30/1287516730.db2.gz XROJLSHQBOVNCK-GXTWGEPZSA-N 1 0 325.796 2.772 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175735887 1287533028 /nfs/dbraw/zinc/53/30/28/1287533028.db2.gz SLGSSZZNSYOEJU-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808785730 1281899380 /nfs/dbraw/zinc/89/93/80/1281899380.db2.gz RNVSHZDQMOHSTD-GOSISDBHSA-N 1 0 329.400 2.826 20 5 EFBDRO CC(C)(CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)F ZINC001131494463 1281948694 /nfs/dbraw/zinc/94/86/94/1281948694.db2.gz SRADSFVAFPEIMG-UHFFFAOYSA-N 1 0 349.403 2.934 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000809235037 1282094509 /nfs/dbraw/zinc/09/45/09/1282094509.db2.gz CPJGLNREKZTRPK-LBPRGKRZSA-N 1 0 343.374 2.923 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000809356016 1282172676 /nfs/dbraw/zinc/17/26/76/1282172676.db2.gz XULBJRKBNIHAHN-LBPRGKRZSA-N 1 0 341.358 2.691 20 5 EFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000809688105 1282405801 /nfs/dbraw/zinc/40/58/01/1282405801.db2.gz ALSNGNFJLANETD-UHFFFAOYSA-N 1 0 337.420 2.984 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000809732823 1282411356 /nfs/dbraw/zinc/41/13/56/1282411356.db2.gz LGNUZVLZYBLGLE-SFHVURJKSA-N 1 0 338.367 2.604 20 5 EFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733243 1282411906 /nfs/dbraw/zinc/41/19/06/1282411906.db2.gz SLTKPRQNJMYOTB-FZKQIMNGSA-N 1 0 330.384 2.945 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000809733187 1282412083 /nfs/dbraw/zinc/41/20/83/1282412083.db2.gz QYFNUOLPEIDYCJ-WMLDXEAASA-N 1 0 328.368 2.784 20 5 EFBDRO [NH3+]CCN(Cc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734793 1282414176 /nfs/dbraw/zinc/41/41/76/1282414176.db2.gz LQSPMNPBTHIOFD-UHFFFAOYSA-N 1 0 341.415 2.555 20 5 EFBDRO Cc1cccc2ncc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)n21 ZINC000809735131 1282414566 /nfs/dbraw/zinc/41/45/66/1282414566.db2.gz YAGQSOOSGQOAGW-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO C[NH+](C)CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000809737590 1282435631 /nfs/dbraw/zinc/43/56/31/1282435631.db2.gz ISUNAZCHHHYWGG-HNNXBMFYSA-N 1 0 341.839 2.791 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000809913831 1282559988 /nfs/dbraw/zinc/55/99/88/1282559988.db2.gz SZMGQIKNLMWROG-NXEZZACHSA-N 1 0 326.784 2.852 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000809915542 1282564059 /nfs/dbraw/zinc/56/40/59/1282564059.db2.gz QOOMXJOWCISLCV-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000825602893 1287582135 /nfs/dbraw/zinc/58/21/35/1287582135.db2.gz OLJXWEOJWKDSOZ-CQSZACIVSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554411 1287590643 /nfs/dbraw/zinc/59/06/43/1287590643.db2.gz ZCTJRYSKZPHSDI-CYBMUJFWSA-N 1 0 334.420 2.620 20 5 EFBDRO CCC(N)=[NH+]OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000809994316 1282727174 /nfs/dbraw/zinc/72/71/74/1282727174.db2.gz SBHRJMNIHISBIX-UHFFFAOYSA-N 1 0 349.128 2.608 20 5 EFBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000810036663 1282798049 /nfs/dbraw/zinc/79/80/49/1282798049.db2.gz MPVIPEYPMBVEAC-MRXNPFEDSA-N 1 0 333.388 2.838 20 5 EFBDRO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563801 1287597859 /nfs/dbraw/zinc/59/78/59/1287597859.db2.gz OKIJBCDEJCUOIB-AWEZNQCLSA-N 1 0 328.416 2.960 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593562 1287619531 /nfs/dbraw/zinc/61/95/31/1287619531.db2.gz QARFWKJESXEPAL-IIYDPXPESA-N 1 0 329.400 2.992 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593320 1287620204 /nfs/dbraw/zinc/62/02/04/1287620204.db2.gz JIIMBKNUQOAEQD-NSHDSACASA-N 1 0 329.356 2.799 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596575 1287622483 /nfs/dbraw/zinc/62/24/83/1287622483.db2.gz YAPMACXULWLGKX-BLLLJJGKSA-N 1 0 346.431 2.761 20 5 EFBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815574736 1287631863 /nfs/dbraw/zinc/63/18/63/1287631863.db2.gz BFYYKMKBIBGBBM-SMDDNHRTSA-N 1 0 343.383 2.840 20 5 EFBDRO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815622714 1287644431 /nfs/dbraw/zinc/64/44/31/1287644431.db2.gz CPZIOXVUUXXOBF-CZUORRHYSA-N 1 0 329.400 2.821 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810847079 1283738435 /nfs/dbraw/zinc/73/84/35/1283738435.db2.gz MIWTXHZQXQMYLU-ZIAGYGMSSA-N 1 0 336.413 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000715096785 1284032425 /nfs/dbraw/zinc/03/24/25/1284032425.db2.gz MXXQAVMIKVQOLH-HDJSIYSDSA-N 1 0 335.404 2.988 20 5 EFBDRO COc1ccc([N+](=O)[O-])nc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170626813 1284049981 /nfs/dbraw/zinc/04/99/81/1284049981.db2.gz KLFXCVPDOIYCNW-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO C[C@H]1COCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811487503 1284346414 /nfs/dbraw/zinc/34/64/14/1284346414.db2.gz ZAZBIOQKGSSPDS-JTQLQIEISA-N 1 0 348.230 2.712 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000811477104 1284362671 /nfs/dbraw/zinc/36/26/71/1284362671.db2.gz FRJDMHMXPFVEHS-LBPRGKRZSA-N 1 0 349.214 2.779 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000811542641 1284399641 /nfs/dbraw/zinc/39/96/41/1284399641.db2.gz BIQCKYCNZXUYJE-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811598794 1284434609 /nfs/dbraw/zinc/43/46/09/1284434609.db2.gz CPJGLNREKZTRPK-GFCCVEGCSA-N 1 0 343.374 2.923 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811600984 1284436783 /nfs/dbraw/zinc/43/67/83/1284436783.db2.gz LNRXJKWIYHBILM-NSHDSACASA-N 1 0 329.347 2.532 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000811716585 1284532111 /nfs/dbraw/zinc/53/21/11/1284532111.db2.gz VQZOPBLTNZALNH-UHFFFAOYSA-N 1 0 336.461 2.785 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001093834405 1284552854 /nfs/dbraw/zinc/55/28/54/1284552854.db2.gz MWQBSSYFRSTREI-UHFFFAOYSA-N 1 0 348.447 2.552 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000811715781 1284554304 /nfs/dbraw/zinc/55/43/04/1284554304.db2.gz BJDWNXMDRPCEJP-CQSZACIVSA-N 1 0 336.461 2.928 20 5 EFBDRO O=C(Cc1cccc(Cl)c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133211378 1284997716 /nfs/dbraw/zinc/99/77/16/1284997716.db2.gz KMYMTMPOVFTAAR-UHFFFAOYSA-N 1 0 347.802 2.697 20 5 EFBDRO O=C(CCCC[NH+]1CCCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094468388 1285096267 /nfs/dbraw/zinc/09/62/67/1285096267.db2.gz YQBFOBNLTSNODN-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO CO[C@@](C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000812733791 1285386823 /nfs/dbraw/zinc/38/68/23/1285386823.db2.gz BFZIPXVJZLDDEG-SFHVURJKSA-N 1 0 333.432 2.968 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110162268 1285481639 /nfs/dbraw/zinc/48/16/39/1285481639.db2.gz NPUVLRKQDCQSQT-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001171677321 1285710303 /nfs/dbraw/zinc/71/03/03/1285710303.db2.gz CJQVECHTAFXZAZ-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=C(CCc1ccccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171865027 1285866015 /nfs/dbraw/zinc/86/60/15/1285866015.db2.gz NYQYEGZZOSYBNG-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000822569073 1289035846 /nfs/dbraw/zinc/03/58/46/1289035846.db2.gz NIJBBBFRIXWNSK-XOKHGSTOSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813468145 1285936562 /nfs/dbraw/zinc/93/65/62/1285936562.db2.gz RXJHMYLUUKDZHG-VIFPVBQESA-N 1 0 346.214 2.973 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1C1CCC1 ZINC001133827553 1285993984 /nfs/dbraw/zinc/99/39/84/1285993984.db2.gz JLHHCYMRAPEJAB-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CCC1 ZINC001133827350 1285994158 /nfs/dbraw/zinc/99/41/58/1285994158.db2.gz DQEYEWXWDZAHJC-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902951 1286307481 /nfs/dbraw/zinc/30/74/81/1286307481.db2.gz NNWFQOHHMQLGMJ-OAHLLOKOSA-N 1 0 333.432 2.737 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902546 1286308069 /nfs/dbraw/zinc/30/80/69/1286308069.db2.gz ZOIVFYJORJJSGD-GOSISDBHSA-N 1 0 345.443 2.690 20 5 EFBDRO Cc1nc(CC[N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172904865 1286308760 /nfs/dbraw/zinc/30/87/60/1286308760.db2.gz PBMUSJDHYFZZFB-HNNXBMFYSA-N 1 0 330.388 2.708 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@](O)(C(F)(F)F)C1)CC2 ZINC001172904473 1286308860 /nfs/dbraw/zinc/30/88/60/1286308860.db2.gz NROFOOJEXABGOY-ZFWWWQNUSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@](O)(CF)[C@@H](F)C1)CC2 ZINC001172904560 1286308973 /nfs/dbraw/zinc/30/89/73/1286308973.db2.gz OMHHWFMXFGNYGG-PVAVHDDUSA-N 1 0 340.370 2.587 20 5 EFBDRO CNC(=O)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172904341 1286309155 /nfs/dbraw/zinc/30/91/55/1286309155.db2.gz XJNAXQBBVSFGIQ-GDBMZVCRSA-N 1 0 333.432 2.593 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1ccc(O)cc1)CC2 ZINC001172906016 1286310122 /nfs/dbraw/zinc/31/01/22/1286310122.db2.gz LUSQYSHLDZGMRF-LPHOPBHVSA-N 1 0 342.395 2.871 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccnn1CCF)CC2 ZINC001172905714 1286310162 /nfs/dbraw/zinc/31/01/62/1286310162.db2.gz JVBFCYHHHLSRLD-OAHLLOKOSA-N 1 0 332.379 2.798 20 5 EFBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908169 1286310678 /nfs/dbraw/zinc/31/06/78/1286310678.db2.gz BYWBPADCDVGHIF-KBAYOESNSA-N 1 0 343.427 2.537 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908596 1286311201 /nfs/dbraw/zinc/31/12/01/1286311201.db2.gz XLPKNRGYKSQEHJ-HNNXBMFYSA-N 1 0 332.400 2.918 20 5 EFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC12CC2 ZINC001172913718 1286326451 /nfs/dbraw/zinc/32/64/51/1286326451.db2.gz UMCFAWGTSLPMFO-RDJZCZTQSA-N 1 0 344.411 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(N3CC(F)C3)CC1)CC2 ZINC001172916103 1286327427 /nfs/dbraw/zinc/32/74/27/1286327427.db2.gz QRHAYZQHAYWFRL-QGZVFWFLSA-N 1 0 347.434 2.960 20 5 EFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912266 1286353646 /nfs/dbraw/zinc/35/36/46/1286353646.db2.gz KFQTWFLOGSNSNT-YJBOKZPZSA-N 1 0 332.400 2.727 20 5 EFBDRO CC(C)NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172913558 1286355824 /nfs/dbraw/zinc/35/58/24/1286355824.db2.gz XBLMWVJPDGNRJK-AEFFLSMTSA-N 1 0 347.459 2.981 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc2cc[nH]c21 ZINC001134150537 1286379607 /nfs/dbraw/zinc/37/96/07/1286379607.db2.gz IRDZTJXXBYDYSS-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)c(F)c1 ZINC001173007603 1286381990 /nfs/dbraw/zinc/38/19/90/1286381990.db2.gz UKBBZONEDFXALC-ZDUSSCGKSA-N 1 0 341.358 2.610 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H](F)C3)CC2)c(F)c1 ZINC001173009521 1286382155 /nfs/dbraw/zinc/38/21/55/1286382155.db2.gz DNBURVITWDLIOB-SNVBAGLBSA-N 1 0 329.322 2.886 20 5 EFBDRO C[C@@]1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001173013404 1286382803 /nfs/dbraw/zinc/38/28/03/1286382803.db2.gz QXMIUKDVSDDXOR-MRXNPFEDSA-N 1 0 341.358 2.610 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCCOC3)CC2)c(F)c1 ZINC001173011827 1286382943 /nfs/dbraw/zinc/38/29/43/1286382943.db2.gz LCCAMWQQHZPUFE-GFCCVEGCSA-N 1 0 341.358 2.610 20 5 EFBDRO C[N@H+]([C@H]1CCOC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015334 1286384491 /nfs/dbraw/zinc/38/44/91/1286384491.db2.gz BNLOMOXAUUXWIC-LBPRGKRZSA-N 1 0 341.358 2.563 20 5 EFBDRO C[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1(C)COC1 ZINC001173014873 1286385139 /nfs/dbraw/zinc/38/51/39/1286385139.db2.gz DAVBMHJSZKKBOB-UHFFFAOYSA-N 1 0 341.358 2.563 20 5 EFBDRO CC[N@H+](C1COC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017659 1286385672 /nfs/dbraw/zinc/38/56/72/1286385672.db2.gz IHOTXZBXSPNSIC-UHFFFAOYSA-N 1 0 341.358 2.563 20 5 EFBDRO Nc1ccc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)cc1[N+](=O)[O-] ZINC000822635224 1289074191 /nfs/dbraw/zinc/07/41/91/1289074191.db2.gz TWDNVSWYOJFODR-BTOWRCTQSA-N 1 0 343.387 2.848 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCOC2)c1F ZINC001173175327 1286451262 /nfs/dbraw/zinc/45/12/62/1286451262.db2.gz AFOMGMOATFGWGF-RYUDHWBXSA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnc(C)cn2)c1F ZINC001173174913 1286451617 /nfs/dbraw/zinc/45/16/17/1286451617.db2.gz GATOYPXDJLYDTF-JTQLQIEISA-N 1 0 334.351 2.562 20 5 EFBDRO CCN(CC)CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175048 1286451644 /nfs/dbraw/zinc/45/16/44/1286451644.db2.gz JKVYMIQOSZNEMI-LBPRGKRZSA-N 1 0 327.400 2.605 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1F ZINC001173174791 1286451661 /nfs/dbraw/zinc/45/16/61/1286451661.db2.gz BXDZPHUFMJWXLG-JKOKRWQUSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccnc2OC)c1F ZINC001173175532 1286451685 /nfs/dbraw/zinc/45/16/85/1286451685.db2.gz DCWNQQYNVIRAER-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1F ZINC001173177493 1286452247 /nfs/dbraw/zinc/45/22/47/1286452247.db2.gz AZMWWYUAGVYATF-QJPTWQEYSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@](C)(O)CC2)c1F ZINC001173175813 1286452789 /nfs/dbraw/zinc/45/27/89/1286452789.db2.gz TWJFCMYWGISKHI-PRXAMGSTSA-N 1 0 340.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(O)CCCCC2)c1F ZINC001173178016 1286453337 /nfs/dbraw/zinc/45/33/37/1286453337.db2.gz FQLGFMGFTMBTEH-GFCCVEGCSA-N 1 0 340.395 2.958 20 5 EFBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173178310 1286453711 /nfs/dbraw/zinc/45/37/11/1286453711.db2.gz AOIPCRCVPKIUPP-NWDGAFQWSA-N 1 0 326.368 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncnc2C)c1F ZINC001173177679 1286454025 /nfs/dbraw/zinc/45/40/25/1286454025.db2.gz CTQWOUXIHICPFR-JTQLQIEISA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CCC[NH3+])C(C)C)c1F ZINC001173179871 1286454735 /nfs/dbraw/zinc/45/47/35/1286454735.db2.gz QTUIAPQPCZEJQK-GFCCVEGCSA-N 1 0 327.400 2.733 20 5 EFBDRO CCOC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180409 1286454765 /nfs/dbraw/zinc/45/47/65/1286454765.db2.gz VZLYEUMGMGRYRO-QWRGUYRKSA-N 1 0 342.367 2.605 20 5 EFBDRO CCn1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173180062 1286454947 /nfs/dbraw/zinc/45/49/47/1286454947.db2.gz SNWZLOITUNHPPR-LLVKDONJSA-N 1 0 336.367 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)c1F ZINC001173180386 1286455130 /nfs/dbraw/zinc/45/51/30/1286455130.db2.gz KFZSBMPHEKVZBI-YVEFUNNKSA-N 1 0 338.379 2.786 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(CO)cc2)c1F ZINC001173179359 1286455397 /nfs/dbraw/zinc/45/53/97/1286455397.db2.gz PBGKGEBFTGHLCS-GFCCVEGCSA-N 1 0 348.374 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1F ZINC001173182771 1286456171 /nfs/dbraw/zinc/45/61/71/1286456171.db2.gz TWBOBQMCIZMQEB-PRXAMGSTSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cnn(C)c2)c1F ZINC001173183815 1286456176 /nfs/dbraw/zinc/45/61/76/1286456176.db2.gz JOQCGYIOTKZOKS-NSHDSACASA-N 1 0 336.367 2.539 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](OC)C2)c1F ZINC001173184529 1286456236 /nfs/dbraw/zinc/45/62/36/1286456236.db2.gz NTZHATLSVWMIBE-NEPJUHHUSA-N 1 0 326.368 2.784 20 5 EFBDRO COC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182765 1286456343 /nfs/dbraw/zinc/45/63/43/1286456343.db2.gz TVKIXWNOPWLLBZ-RYUDHWBXSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)C(C)(C)C)c1F ZINC001173189998 1286457593 /nfs/dbraw/zinc/45/75/93/1286457593.db2.gz SYHIPQROAGQGGR-YGRLFVJLSA-N 1 0 328.384 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1F ZINC001173190875 1286457609 /nfs/dbraw/zinc/45/76/09/1286457609.db2.gz ILFMQBVZZQWRKK-MDZLAQPJSA-N 1 0 326.368 2.688 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cnc(C)nc2)c1F ZINC001173193141 1286458822 /nfs/dbraw/zinc/45/88/22/1286458822.db2.gz QPXDPKGEBHLHIA-NSHDSACASA-N 1 0 348.378 2.904 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@@H]2CCCOC2)c1F ZINC001173193812 1286458835 /nfs/dbraw/zinc/45/88/35/1286458835.db2.gz QYBDJBKYDGAPOL-VXGBXAGGSA-N 1 0 326.368 2.784 20 5 EFBDRO C[NH2+]CCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192161 1286458917 /nfs/dbraw/zinc/45/89/17/1286458917.db2.gz JDRHSWOICSMTJU-LBPRGKRZSA-N 1 0 341.427 2.993 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CC[NH3+])c2ccccn2)c1F ZINC001173193315 1286458999 /nfs/dbraw/zinc/45/89/99/1286458999.db2.gz UQOCSWKNPXUHCM-GFCCVEGCSA-N 1 0 348.378 2.534 20 5 EFBDRO C[NH2+]CCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173192160 1286459010 /nfs/dbraw/zinc/45/90/10/1286459010.db2.gz JDRHSWOICSMTJU-GFCCVEGCSA-N 1 0 341.427 2.993 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC001173215345 1286470049 /nfs/dbraw/zinc/47/00/49/1286470049.db2.gz VFENMKJHLNKHTR-CYBMUJFWSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC001173220202 1286474004 /nfs/dbraw/zinc/47/40/04/1286474004.db2.gz VSTMRNSQBRSVFL-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO O=C(CCCC(F)(F)F)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134229388 1286475550 /nfs/dbraw/zinc/47/55/50/1286475550.db2.gz IOCNYZSQYFKGFV-UHFFFAOYSA-N 1 0 333.310 2.533 20 5 EFBDRO Cc1nnc2ccc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)cn12 ZINC001173222879 1286475787 /nfs/dbraw/zinc/47/57/87/1286475787.db2.gz FTJHFDDFZLVVBO-GFCCVEGCSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001173225030 1286479586 /nfs/dbraw/zinc/47/95/86/1286479586.db2.gz AWWAQCVTAIIGDP-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ncccn2)CC1 ZINC001173226409 1286480673 /nfs/dbraw/zinc/48/06/73/1286480673.db2.gz JVOFFLJDZGVRTA-AWEZNQCLSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001173225516 1286481061 /nfs/dbraw/zinc/48/10/61/1286481061.db2.gz CXPGOBXMTOSGIR-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nccs2)CC1 ZINC001173229281 1286481680 /nfs/dbraw/zinc/48/16/80/1286481680.db2.gz SFOVHVGBQKNYEU-CYBMUJFWSA-N 1 0 332.429 2.805 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC001173228579 1286482311 /nfs/dbraw/zinc/48/23/11/1286482311.db2.gz XSLGPKVLSAUWNP-MRXNPFEDSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001173228108 1286482339 /nfs/dbraw/zinc/48/23/39/1286482339.db2.gz HPQXYRDTEUDYDG-GFCCVEGCSA-N 1 0 341.367 2.647 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001173228330 1286482480 /nfs/dbraw/zinc/48/24/80/1286482480.db2.gz JDZMNEKFMBEACP-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001173232853 1286482985 /nfs/dbraw/zinc/48/29/85/1286482985.db2.gz IKQGNTDHZAVLHG-CYBMUJFWSA-N 1 0 333.432 2.749 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C(=O)Nc2ccccc21 ZINC001173230635 1286483486 /nfs/dbraw/zinc/48/34/86/1286483486.db2.gz SFYUWRMKZNFEKP-MLGOLLRUSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C(=O)Nc2ccccc21 ZINC001173230633 1286483584 /nfs/dbraw/zinc/48/35/84/1286483584.db2.gz SFYUWRMKZNFEKP-LRDDRELGSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001173234302 1286483883 /nfs/dbraw/zinc/48/38/83/1286483883.db2.gz ODXBQWUCTCOLPB-GFCCVEGCSA-N 1 0 325.368 2.559 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCNC2=O)CC1 ZINC001173235027 1286484205 /nfs/dbraw/zinc/48/42/05/1286484205.db2.gz VVYWZCFBGMZQPN-AWEZNQCLSA-N 1 0 331.416 2.518 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001173234124 1286484682 /nfs/dbraw/zinc/48/46/82/1286484682.db2.gz NEPYCGDMWGDBEW-UQHVZDHRSA-N 1 0 331.416 2.707 20 5 EFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234546 1286484786 /nfs/dbraw/zinc/48/47/86/1286484786.db2.gz PJVNSSSHXUDSPN-PBHICJAKSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001173213288 1286486572 /nfs/dbraw/zinc/48/65/72/1286486572.db2.gz HRIYECCAHOUQQM-DNVCBOLYSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001173213490 1286486596 /nfs/dbraw/zinc/48/65/96/1286486596.db2.gz HWRVZCXDMOIUBS-PXAZEXFGSA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC001173216042 1286486890 /nfs/dbraw/zinc/48/68/90/1286486890.db2.gz JSXLLMXUYXZFKW-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccncn1)C1CC[NH2+]CC1 ZINC001173238316 1286495813 /nfs/dbraw/zinc/49/58/13/1286495813.db2.gz PHHOVWOUCGSWCG-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001134302672 1286543430 /nfs/dbraw/zinc/54/34/30/1286543430.db2.gz WSENWLSOQQXSIQ-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC001134381531 1286626773 /nfs/dbraw/zinc/62/67/73/1286626773.db2.gz QXMBVQGFLLSHKR-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822712662 1289089265 /nfs/dbraw/zinc/08/92/65/1289089265.db2.gz ZRUIFRQPXMFDKS-ZBFHGGJFSA-N 1 0 333.432 2.774 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095262842 1286811506 /nfs/dbraw/zinc/81/15/06/1286811506.db2.gz OMVSCQJFHFRBFW-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001134494718 1286814728 /nfs/dbraw/zinc/81/47/28/1286814728.db2.gz FVZPJMQXZSXRRB-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001150361282 1286975956 /nfs/dbraw/zinc/97/59/56/1286975956.db2.gz BGWATORPFCOWKI-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822861991 1289142403 /nfs/dbraw/zinc/14/24/03/1289142403.db2.gz DUPWZNJZJOGELK-ZNMIVQPWSA-N 1 0 325.453 2.686 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)n1 ZINC001176817967 1288134885 /nfs/dbraw/zinc/13/48/85/1288134885.db2.gz XCRMNHGCARTWPZ-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177212209 1288314541 /nfs/dbraw/zinc/31/45/41/1288314541.db2.gz SKRLLRFKJKFSFS-XLHUXQDVSA-N 1 0 349.456 2.544 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000816931956 1288344152 /nfs/dbraw/zinc/34/41/52/1288344152.db2.gz DBESUJIZMOPZTM-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297612 1288526546 /nfs/dbraw/zinc/52/65/46/1288526546.db2.gz SZRHYMXZQVYGFL-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796402225 1299218758 /nfs/dbraw/zinc/21/87/58/1299218758.db2.gz HXLDSYQPEVFHJH-VYUIOLGVSA-N 1 0 343.836 2.916 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000817373379 1288566541 /nfs/dbraw/zinc/56/65/41/1288566541.db2.gz NLRFMGSBUZGTDM-LBPRGKRZSA-N 1 0 336.417 2.855 20 5 EFBDRO CSCC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177855931 1288572690 /nfs/dbraw/zinc/57/26/90/1288572690.db2.gz ORAJYZATJYZTGI-UHFFFAOYSA-N 1 0 339.461 2.724 20 5 EFBDRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000822225494 1288911423 /nfs/dbraw/zinc/91/14/23/1288911423.db2.gz FEFCWCXFWIBXJZ-UHFFFAOYSA-N 1 0 348.447 2.603 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822239221 1288913584 /nfs/dbraw/zinc/91/35/84/1288913584.db2.gz LMRZUNOJHJUNDS-UHFFFAOYSA-N 1 0 335.448 2.980 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903441919 1312687536 /nfs/dbraw/zinc/68/75/36/1312687536.db2.gz HEPQNDWDUIRVNU-XNAIMREJSA-N 1 0 328.368 2.912 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822532737 1289011490 /nfs/dbraw/zinc/01/14/90/1289011490.db2.gz AEHOSZQHCCOYTB-GJZGRUSLSA-N 1 0 327.469 2.696 20 5 EFBDRO CC(C)(CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N+](=O)[O-] ZINC000823083443 1289206073 /nfs/dbraw/zinc/20/60/73/1289206073.db2.gz AUAHXIFCVMMHBD-INIZCTEOSA-N 1 0 339.480 2.937 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000823414491 1289283870 /nfs/dbraw/zinc/28/38/70/1289283870.db2.gz HQMHILIOPMEQMU-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000823500290 1289322577 /nfs/dbraw/zinc/32/25/77/1289322577.db2.gz WHNMZCNDUDVKBG-BRWVUGGUSA-N 1 0 331.416 2.641 20 5 EFBDRO CCc1ccoc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165966925 1312711960 /nfs/dbraw/zinc/71/19/60/1312711960.db2.gz MEYVPDDHUNPGFO-UHFFFAOYSA-N 1 0 337.401 2.721 20 5 EFBDRO CC(C)[C@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000803494229 1312710642 /nfs/dbraw/zinc/71/06/42/1312710642.db2.gz ZSADBBVIRPHWNY-OAHLLOKOSA-N 1 0 347.371 2.879 20 5 EFBDRO Nc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000823933882 1289495493 /nfs/dbraw/zinc/49/54/93/1289495493.db2.gz YRXQFOJQHMHNAB-UHFFFAOYSA-N 1 0 335.408 2.565 20 5 EFBDRO CCOC(=O)N1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873011517 1289518295 /nfs/dbraw/zinc/51/82/95/1289518295.db2.gz YLQXHZBFELDQEW-UHFFFAOYSA-N 1 0 335.404 2.922 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1occc1Cl ZINC001165991203 1312714582 /nfs/dbraw/zinc/71/45/82/1312714582.db2.gz IRKASPDWFBWDDH-UHFFFAOYSA-N 1 0 337.763 2.751 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873020888 1289524230 /nfs/dbraw/zinc/52/42/30/1289524230.db2.gz DOSMMRKGXCTQQX-HNNXBMFYSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000873023242 1289526195 /nfs/dbraw/zinc/52/61/95/1289526195.db2.gz WEEZYNKFDPWPFF-OAHLLOKOSA-N 1 0 348.374 2.880 20 5 EFBDRO Cc1c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000873030606 1289530683 /nfs/dbraw/zinc/53/06/83/1289530683.db2.gz IYSMRJJCLFSPJT-UHFFFAOYSA-N 1 0 348.424 2.738 20 5 EFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873053828 1289541480 /nfs/dbraw/zinc/54/14/80/1289541480.db2.gz HERPFCRPNWNBCE-SFHVURJKSA-N 1 0 346.383 2.744 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000873075207 1289553813 /nfs/dbraw/zinc/55/38/13/1289553813.db2.gz SZPTXHVOJJSXHO-AWEZNQCLSA-N 1 0 330.363 2.806 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000873081118 1289557650 /nfs/dbraw/zinc/55/76/50/1289557650.db2.gz YLZYWALYNQVRRP-RTBURBONSA-N 1 0 347.459 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000873081115 1289558707 /nfs/dbraw/zinc/55/87/07/1289558707.db2.gz YLZYWALYNQVRRP-MOPGFXCFSA-N 1 0 347.459 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000873094777 1289566800 /nfs/dbraw/zinc/56/68/00/1289566800.db2.gz NLZYYUWKPHTBEG-OAHLLOKOSA-N 1 0 326.400 2.975 20 5 EFBDRO Cc1c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873120787 1289578594 /nfs/dbraw/zinc/57/85/94/1289578594.db2.gz AAHVNEIWKGYRNZ-NVXWUHKLSA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cccc1[N+](=O)[O-] ZINC000873120789 1289578795 /nfs/dbraw/zinc/57/87/95/1289578795.db2.gz AAHVNEIWKGYRNZ-WBVHZDCISA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000873132093 1289586928 /nfs/dbraw/zinc/58/69/28/1289586928.db2.gz HABHWQFGWZFCAF-UHFFFAOYSA-N 1 0 340.445 2.516 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000873132606 1289587507 /nfs/dbraw/zinc/58/75/07/1289587507.db2.gz YZDCISYWRCGADE-UHFFFAOYSA-N 1 0 328.434 2.515 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824311335 1289601850 /nfs/dbraw/zinc/60/18/50/1289601850.db2.gz CHRKATKGQRWOLM-HOCLYGCPSA-N 1 0 331.416 2.958 20 5 EFBDRO Nc1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000873288336 1289702998 /nfs/dbraw/zinc/70/29/98/1289702998.db2.gz BVTNMGJPBIAONV-LSDHHAIUSA-N 1 0 333.367 2.786 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)F ZINC001166230692 1312749872 /nfs/dbraw/zinc/74/98/72/1312749872.db2.gz FZXJHZJIPQOFKP-UHFFFAOYSA-N 1 0 335.376 2.544 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CC2CC2)ccc1Br ZINC000092505929 1290764957 /nfs/dbraw/zinc/76/49/57/1290764957.db2.gz JMFIXHLXVXFCRF-UHFFFAOYSA-N 1 0 329.194 2.562 20 5 EFBDRO O=C(CCCF)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001166630125 1312807278 /nfs/dbraw/zinc/80/72/78/1312807278.db2.gz GFELQPNSRZXNRE-UHFFFAOYSA-N 1 0 337.395 2.721 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876542409 1290938374 /nfs/dbraw/zinc/93/83/74/1290938374.db2.gz UUKUQWMLHBRBOV-INIZCTEOSA-N 1 0 333.432 2.508 20 5 EFBDRO C[N@@H+]1CCC[C@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001186363073 1290938305 /nfs/dbraw/zinc/93/83/05/1290938305.db2.gz ZOCPSINVLIKCQH-AWEZNQCLSA-N 1 0 335.407 2.671 20 5 EFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876657522 1290969076 /nfs/dbraw/zinc/96/90/76/1290969076.db2.gz GUQYMBWUTBUAIB-HNNXBMFYSA-N 1 0 333.432 2.950 20 5 EFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000876742856 1291000744 /nfs/dbraw/zinc/00/07/44/1291000744.db2.gz XLMWMZAKKRZOMU-OAHLLOKOSA-N 1 0 332.400 2.987 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000877517032 1291255421 /nfs/dbraw/zinc/25/54/21/1291255421.db2.gz KVUDAVLBBZRPGB-HOCLYGCPSA-N 1 0 333.432 2.507 20 5 EFBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000795703153 1291268709 /nfs/dbraw/zinc/26/87/09/1291268709.db2.gz MUEYLRPEOXFJJS-CJNGLKHVSA-N 1 0 343.431 2.769 20 5 EFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000877818866 1291391483 /nfs/dbraw/zinc/39/14/83/1291391483.db2.gz QVIIMZLADYJKNK-CYBMUJFWSA-N 1 0 336.388 2.769 20 5 EFBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831700 1291400654 /nfs/dbraw/zinc/40/06/54/1291400654.db2.gz WWWUVOGGDDSNGC-BVPBIZIASA-N 1 0 334.416 2.571 20 5 EFBDRO COC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878104682 1291498284 /nfs/dbraw/zinc/49/82/84/1291498284.db2.gz ZUQPFZMJPYSEFG-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878200338 1291552774 /nfs/dbraw/zinc/55/27/74/1291552774.db2.gz NKYIWVNJQUOVCP-NSHDSACASA-N 1 0 334.401 2.972 20 5 EFBDRO COC(=O)C1(Nc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954822 1312871511 /nfs/dbraw/zinc/87/15/11/1312871511.db2.gz UOBASSDQIGZFGU-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO [NH3+][C@H]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166960043 1312872364 /nfs/dbraw/zinc/87/23/64/1312872364.db2.gz GMMFRFXITYXFRT-JTQLQIEISA-N 1 0 342.733 2.969 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878511206 1291697348 /nfs/dbraw/zinc/69/73/48/1291697348.db2.gz BGYQTZXEBUPFHS-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000249760947 1291721955 /nfs/dbraw/zinc/72/19/55/1291721955.db2.gz WQJAAFSKQLDNTR-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000878598675 1291729416 /nfs/dbraw/zinc/72/94/16/1291729416.db2.gz LSQOYOGNHITYGH-MRXNPFEDSA-N 1 0 336.432 2.515 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878695717 1291760127 /nfs/dbraw/zinc/76/01/27/1291760127.db2.gz XGOVVQMAKSDEPV-CYBMUJFWSA-N 1 0 345.403 2.559 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878695718 1291760467 /nfs/dbraw/zinc/76/04/67/1291760467.db2.gz XGOVVQMAKSDEPV-ZDUSSCGKSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1cc(NC[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001114776139 1291931384 /nfs/dbraw/zinc/93/13/84/1291931384.db2.gz XGSNMELWMAVHPL-KOMQPUFPSA-N 1 0 348.447 2.550 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000879519275 1292167395 /nfs/dbraw/zinc/16/73/95/1292167395.db2.gz RPJPJKLQIMVTDV-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529423 1292173190 /nfs/dbraw/zinc/17/31/90/1292173190.db2.gz MYYVGAYLIPGLPK-OKILXGFUSA-N 1 0 345.399 2.830 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880234204 1292422890 /nfs/dbraw/zinc/42/28/90/1292422890.db2.gz CQVXWHDKJARSOA-GFCCVEGCSA-N 1 0 339.367 2.614 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](CF)C1 ZINC000880293540 1292439882 /nfs/dbraw/zinc/43/98/82/1292439882.db2.gz ANFFEHQPYZBITB-VHSXEESVSA-N 1 0 329.759 2.867 20 5 EFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000880461588 1292505619 /nfs/dbraw/zinc/50/56/19/1292505619.db2.gz JBZTUGDBCNXWIW-ZWKOTPCHSA-N 1 0 330.384 2.684 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233490355 1312942054 /nfs/dbraw/zinc/94/20/54/1312942054.db2.gz MUCWYJNAZWLOBJ-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000796315144 1292868380 /nfs/dbraw/zinc/86/83/80/1292868380.db2.gz FEOHTKUETDKLSX-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO CCOC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)cc(C(=O)OCC)c1 ZINC001233683277 1312969989 /nfs/dbraw/zinc/96/99/89/1312969989.db2.gz MKDDBKQZTIEFFJ-ZDUSSCGKSA-N 1 0 338.424 2.514 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000882724982 1293297620 /nfs/dbraw/zinc/29/76/20/1293297620.db2.gz HOVBBFSWLOZNJL-LBPRGKRZSA-N 1 0 341.358 2.610 20 5 EFBDRO CCOc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882725818 1293298187 /nfs/dbraw/zinc/29/81/87/1293298187.db2.gz BQOYPFLKSDOYKJ-HNNXBMFYSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000883451676 1293598244 /nfs/dbraw/zinc/59/82/44/1293598244.db2.gz VEJHXKTXZRZUDV-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000883455367 1293599517 /nfs/dbraw/zinc/59/95/17/1293599517.db2.gz BDEUGKQEDUAXAI-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000883455866 1293599541 /nfs/dbraw/zinc/59/95/41/1293599541.db2.gz MLSRFRBBXXRVDO-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])cc(F)c2Br)CC1 ZINC001233903092 1313014519 /nfs/dbraw/zinc/01/45/19/1313014519.db2.gz ABWNGDDMXNESNN-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233903019 1313014792 /nfs/dbraw/zinc/01/47/92/1313014792.db2.gz ZQHZYMIXOPJBLR-NSHDSACASA-N 1 0 346.343 2.913 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000133335687 1293845733 /nfs/dbraw/zinc/84/57/33/1293845733.db2.gz ODQMPQMZVVELDR-UHFFFAOYSA-N 1 0 337.395 2.846 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCCCC1 ZINC000800107817 1293919963 /nfs/dbraw/zinc/91/99/63/1293919963.db2.gz VIKVKRNGKHNQRP-UHFFFAOYSA-N 1 0 335.404 2.816 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000884239250 1294061604 /nfs/dbraw/zinc/06/16/04/1294061604.db2.gz QFCYDVRYJQCMKS-OAHLLOKOSA-N 1 0 331.416 2.816 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1(C)C ZINC000884497117 1294159643 /nfs/dbraw/zinc/15/96/43/1294159643.db2.gz PETWRPLWJGZHPK-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1O)Cc1cccc([N+](=O)[O-])c1 ZINC001234100072 1313057168 /nfs/dbraw/zinc/05/71/68/1313057168.db2.gz WEFGJABPEPKVAY-UHFFFAOYSA-N 1 0 343.383 2.552 20 5 EFBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000886027783 1294629846 /nfs/dbraw/zinc/62/98/46/1294629846.db2.gz INYXWWFEDDJKHO-QGZVFWFLSA-N 1 0 340.427 2.944 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccn21 ZINC000137627574 1294845530 /nfs/dbraw/zinc/84/55/30/1294845530.db2.gz OVBNLQFVNWHQPU-UHFFFAOYSA-N 1 0 337.383 2.565 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234363425 1313113858 /nfs/dbraw/zinc/11/38/58/1313113858.db2.gz IDEXDBWWKZGQIU-INIZCTEOSA-N 1 0 349.431 2.683 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000886435868 1294966633 /nfs/dbraw/zinc/96/66/33/1294966633.db2.gz KVEWZCHSTZZWRP-MSOLQXFVSA-N 1 0 330.384 2.602 20 5 EFBDRO COC(=O)c1c(O[C@H](C)C[N+](C)(C)C)cnc2ccc(OC)cc21 ZINC001234394941 1313118755 /nfs/dbraw/zinc/11/87/55/1313118755.db2.gz NKYKRFYUCBIETM-GFCCVEGCSA-N 1 0 333.408 2.504 20 5 EFBDRO Cc1ccsc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154204180 1295152032 /nfs/dbraw/zinc/15/20/32/1295152032.db2.gz KHHPPNOZNVHIAQ-UHFFFAOYSA-N 1 0 339.442 2.936 20 5 EFBDRO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000903751257 1313162404 /nfs/dbraw/zinc/16/24/04/1313162404.db2.gz HJQZVUBFUOZAPS-UWVGGRQHSA-N 1 0 328.210 2.540 20 5 EFBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000903751259 1313162727 /nfs/dbraw/zinc/16/27/27/1313162727.db2.gz HJQZVUBFUOZAPS-ZJUUUORDSA-N 1 0 328.210 2.540 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cc(Br)ncc21 ZINC001234650611 1313178237 /nfs/dbraw/zinc/17/82/37/1313178237.db2.gz MUDRMGSCSMPEJR-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO CC[NH+]1CCC(Oc2c(C(C)=O)ccc(NC(C)=O)c2[N+](=O)[O-])CC1 ZINC001234681040 1313182167 /nfs/dbraw/zinc/18/21/67/1313182167.db2.gz GYRFYBBMPOSUAO-UHFFFAOYSA-N 1 0 349.387 2.619 20 5 EFBDRO COc1cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc([N+](=O)[O-])c1C ZINC000889827793 1295837333 /nfs/dbraw/zinc/83/73/33/1295837333.db2.gz NHNNAKKHTNNKFD-UHFFFAOYSA-N 1 0 347.415 2.659 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889832641 1295842177 /nfs/dbraw/zinc/84/21/77/1295842177.db2.gz OHAJQDFLJFQJPW-UHFFFAOYSA-N 1 0 331.416 2.904 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234741457 1313187780 /nfs/dbraw/zinc/18/77/80/1313187780.db2.gz IKORLEDGHOJZFO-LLVKDONJSA-O 1 0 344.387 2.831 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234876637 1313201982 /nfs/dbraw/zinc/20/19/82/1313201982.db2.gz ICMQQFJHSCIPOZ-SECBINFHSA-N 1 0 331.166 2.536 20 5 EFBDRO CC[NH+]1CCC(Oc2c(O)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234877664 1313202193 /nfs/dbraw/zinc/20/21/93/1313202193.db2.gz PSUSVNHKTRCVDL-UHFFFAOYSA-N 1 0 345.193 2.926 20 5 EFBDRO Cc1ncc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001235274907 1313279585 /nfs/dbraw/zinc/27/95/85/1313279585.db2.gz AMQLFWALJMMELP-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO [NH3+]CCCCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831138173 1296797768 /nfs/dbraw/zinc/79/77/68/1296797768.db2.gz MPJWJUNIWMQGMQ-UHFFFAOYSA-N 1 0 328.800 2.567 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776166990 1296804359 /nfs/dbraw/zinc/80/43/59/1296804359.db2.gz ICXMURJUAKDTQR-SFHVURJKSA-N 1 0 347.459 2.950 20 5 EFBDRO O=C(CCC(F)F)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001201640507 1296970306 /nfs/dbraw/zinc/97/03/06/1296970306.db2.gz HHJNIIGJXWMDMY-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000927083322 1296985854 /nfs/dbraw/zinc/98/58/54/1296985854.db2.gz DXDNOIHPVZRAFP-BHYGNILZSA-N 1 0 334.416 2.701 20 5 EFBDRO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000928247439 1297086737 /nfs/dbraw/zinc/08/67/37/1297086737.db2.gz WJXGHCGMBZEECT-OAHLLOKOSA-N 1 0 341.411 2.947 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000867407169 1297117779 /nfs/dbraw/zinc/11/77/79/1297117779.db2.gz PKQNTZOSUYQFJP-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@@H]1COCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067919 1297227838 /nfs/dbraw/zinc/22/78/38/1297227838.db2.gz PPXSXJYBJNTLHW-SNVBAGLBSA-N 1 0 329.194 2.968 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930103975 1297233257 /nfs/dbraw/zinc/23/32/57/1297233257.db2.gz KDEWQEHPBRQWQU-DLBZAZTESA-N 1 0 331.416 2.691 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000776270262 1297324042 /nfs/dbraw/zinc/32/40/42/1297324042.db2.gz BHASTNKTBGOKIX-QGZVFWFLSA-N 1 0 346.383 2.777 20 5 EFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274382 1297338732 /nfs/dbraw/zinc/33/87/32/1297338732.db2.gz HHSBMYVKMZISMY-KRWDZBQOSA-N 1 0 330.384 2.947 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278366 1297352830 /nfs/dbraw/zinc/35/28/30/1297352830.db2.gz VBZVKKSANWOXFR-KRWDZBQOSA-N 1 0 335.448 2.682 20 5 EFBDRO O=C(CCCF)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001205919827 1313376246 /nfs/dbraw/zinc/37/62/46/1313376246.db2.gz XLOFTRLHDWZBNF-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932047147 1297392790 /nfs/dbraw/zinc/39/27/90/1297392790.db2.gz WLGROKDADLUJDP-IRXDYDNUSA-N 1 0 331.416 2.689 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2C1 ZINC000932527976 1297429660 /nfs/dbraw/zinc/42/96/60/1297429660.db2.gz PYZCQPZLNJXMKO-UHFFFAOYSA-N 1 0 328.372 2.549 20 5 EFBDRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779868475 1298981349 /nfs/dbraw/zinc/98/13/49/1298981349.db2.gz SSRZHMTUAJSJMF-CABCVRRESA-N 1 0 343.431 2.652 20 5 EFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851885857 1299449829 /nfs/dbraw/zinc/44/98/29/1299449829.db2.gz MRJCZAUYRYVZJP-DOTOQJQBSA-N 1 0 348.378 2.556 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2cc(F)ncn2)CC1 ZINC000852132761 1299561742 /nfs/dbraw/zinc/56/17/42/1299561742.db2.gz GMSVHPORJOTAFX-ZDUSSCGKSA-N 1 0 345.378 2.716 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586407 1299666069 /nfs/dbraw/zinc/66/60/69/1299666069.db2.gz OBWJYZQFTYGXIF-IAGOWNOFSA-N 1 0 330.388 2.507 20 5 EFBDRO CN(C)c1cccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776591328 1299670808 /nfs/dbraw/zinc/67/08/08/1299670808.db2.gz NAGBUDRAODZLQU-SFHVURJKSA-N 1 0 329.400 2.826 20 5 EFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000776590289 1299685378 /nfs/dbraw/zinc/68/53/78/1299685378.db2.gz YQVXSHSNHUTVBP-ROUUACIJSA-N 1 0 330.384 2.684 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776594029 1299693099 /nfs/dbraw/zinc/69/30/99/1299693099.db2.gz RNZBBBDCARNHEX-LJQANCHMSA-N 1 0 342.395 2.738 20 5 EFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776601932 1299731833 /nfs/dbraw/zinc/73/18/33/1299731833.db2.gz NNCXOUJNBYZCSK-JKSUJKDBSA-N 1 0 330.388 2.805 20 5 EFBDRO COc1cccc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776606391 1299751790 /nfs/dbraw/zinc/75/17/90/1299751790.db2.gz WMSCTVMOWKWDEL-KRWDZBQOSA-N 1 0 328.368 2.916 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000776606709 1299777943 /nfs/dbraw/zinc/77/79/43/1299777943.db2.gz ZXQFGDAJLWLQLB-IIDMSEBBSA-N 1 0 334.416 2.767 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000776605817 1299793460 /nfs/dbraw/zinc/79/34/60/1299793460.db2.gz OPIYATLBOOBAAK-ROUUACIJSA-N 1 0 330.384 2.732 20 5 EFBDRO O=C1OCCN1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000852723660 1299834101 /nfs/dbraw/zinc/83/41/01/1299834101.db2.gz ZOVDZBKIPMCRLX-UHFFFAOYSA-N 1 0 339.779 2.665 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1=CCSC1 ZINC000852747659 1299856793 /nfs/dbraw/zinc/85/67/93/1299856793.db2.gz RQLYQWMAVVQRGM-UHFFFAOYSA-N 1 0 339.392 2.668 20 5 EFBDRO Cc1nn(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000111172026 1300049712 /nfs/dbraw/zinc/04/97/12/1300049712.db2.gz CKGYHRXWXCPKPJ-CQSZACIVSA-N 1 0 343.431 2.572 20 5 EFBDRO C[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000853509960 1300144000 /nfs/dbraw/zinc/14/40/00/1300144000.db2.gz GCDCAVXPAMFRME-NSHDSACASA-N 1 0 343.374 2.814 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](N4CCOCC4)C3)sc2c1 ZINC000853652153 1300213969 /nfs/dbraw/zinc/21/39/69/1300213969.db2.gz CCDSSZVUJZXYGG-CYBMUJFWSA-N 1 0 348.428 2.506 20 5 EFBDRO NC(C[NH+]1CCCCCC1)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853665693 1300220740 /nfs/dbraw/zinc/22/07/40/1300220740.db2.gz BLGWCSXNDFBXQT-UHFFFAOYSA-N 1 0 342.346 2.747 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853666888 1300221571 /nfs/dbraw/zinc/22/15/71/1300221571.db2.gz SXPCJPUOPUCGFX-SNVBAGLBSA-N 1 0 342.346 2.746 20 5 EFBDRO CC(C)C[C@H](C[NH3+])Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000854139748 1300445273 /nfs/dbraw/zinc/44/52/73/1300445273.db2.gz KHEQJSPBMXFPRI-ZDUSSCGKSA-N 1 0 347.419 2.796 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854185108 1300464834 /nfs/dbraw/zinc/46/48/34/1300464834.db2.gz UYXJATXEFOINEM-LLVKDONJSA-N 1 0 326.784 2.854 20 5 EFBDRO Nc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000854497810 1300592825 /nfs/dbraw/zinc/59/28/25/1300592825.db2.gz ZNQDBFJNCKIPFY-GFCCVEGCSA-N 1 0 332.404 2.770 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000854736342 1300681676 /nfs/dbraw/zinc/68/16/76/1300681676.db2.gz CZAHDISSZQSXKY-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[NH+](C)C ZINC000855413537 1300946937 /nfs/dbraw/zinc/94/69/37/1300946937.db2.gz MUYPXQFEBOKLRQ-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776821854 1301017652 /nfs/dbraw/zinc/01/76/52/1301017652.db2.gz HHXDWDAUVOCUMI-GDBMZVCRSA-N 1 0 349.431 2.984 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000855900359 1301164611 /nfs/dbraw/zinc/16/46/11/1301164611.db2.gz AMXAKMKHAQGJOQ-LBPRGKRZSA-N 1 0 337.395 2.893 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859408865 1301457764 /nfs/dbraw/zinc/45/77/64/1301457764.db2.gz JTLRYQQEQDWGJW-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999906 1301671761 /nfs/dbraw/zinc/67/17/61/1301671761.db2.gz ZCCMSDICUIYJFV-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000860065094 1301687915 /nfs/dbraw/zinc/68/79/15/1301687915.db2.gz GPUXNHCACNNHHU-UHFFFAOYSA-N 1 0 341.383 2.545 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097033982 1313811994 /nfs/dbraw/zinc/81/19/94/1313811994.db2.gz ANFVUKNXSMQFKI-WKILWMFISA-N 1 0 346.431 2.530 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861688063 1302190244 /nfs/dbraw/zinc/19/02/44/1302190244.db2.gz FXICJCQAZLXHRU-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1cc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097053567 1313825200 /nfs/dbraw/zinc/82/52/00/1313825200.db2.gz UBIYLADYMSPMSO-WKILWMFISA-N 1 0 348.447 2.694 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861938227 1302252863 /nfs/dbraw/zinc/25/28/63/1302252863.db2.gz VAUNGTFVUZIRRW-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1F ZINC000862792898 1302460745 /nfs/dbraw/zinc/46/07/45/1302460745.db2.gz FNIJHBDRVXXASL-LLVKDONJSA-N 1 0 341.358 2.643 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000748271398 1313845251 /nfs/dbraw/zinc/84/52/51/1313845251.db2.gz HHRRHOYXHHUOCH-AWEZNQCLSA-N 1 0 339.823 2.939 20 5 EFBDRO CC(C)(C)[C@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794641406 1302847334 /nfs/dbraw/zinc/84/73/34/1302847334.db2.gz XFDDNFJHWOXUTF-LBPRGKRZSA-N 1 0 346.387 2.737 20 5 EFBDRO C[C@@]1(O)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000794671481 1302890995 /nfs/dbraw/zinc/89/09/95/1302890995.db2.gz BIRSPQDLSCXDKY-QGZVFWFLSA-N 1 0 330.388 2.653 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091024330 1302896531 /nfs/dbraw/zinc/89/65/31/1302896531.db2.gz HKTWVVDUYGMBTD-CYBMUJFWSA-N 1 0 335.433 2.884 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091024329 1302896952 /nfs/dbraw/zinc/89/69/52/1302896952.db2.gz HKTWVVDUYGMBTD-ZDUSSCGKSA-N 1 0 335.433 2.884 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794650628 1302900785 /nfs/dbraw/zinc/90/07/85/1302900785.db2.gz RRHFLWFDBORICE-KRWDZBQOSA-N 1 0 330.388 2.917 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865047471 1303137712 /nfs/dbraw/zinc/13/77/12/1303137712.db2.gz NRXKAHOWLVDXOG-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865440041 1303258329 /nfs/dbraw/zinc/25/83/29/1303258329.db2.gz BRZMFABRHIBCEG-UHFFFAOYSA-N 1 0 342.390 2.970 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865608575 1303331045 /nfs/dbraw/zinc/33/10/45/1303331045.db2.gz XTHPWIRBPNIMOC-LBPRGKRZSA-N 1 0 325.384 2.616 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000865628013 1303340097 /nfs/dbraw/zinc/34/00/97/1303340097.db2.gz LRWLNRPNNXXOEC-BLLLJJGKSA-N 1 0 349.406 2.679 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000865628015 1303340641 /nfs/dbraw/zinc/34/06/41/1303340641.db2.gz LRWLNRPNNXXOEC-MLGOLLRUSA-N 1 0 349.406 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001097204744 1313907024 /nfs/dbraw/zinc/90/70/24/1313907024.db2.gz BUAREOPPAPWQQY-GASCZTMLSA-N 1 0 348.447 2.694 20 5 EFBDRO C[C@@H](CCNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+]1CCCCC1 ZINC000865675079 1303361479 /nfs/dbraw/zinc/36/14/79/1303361479.db2.gz JJJGBNSPNJGSPI-LBPRGKRZSA-N 1 0 325.384 2.903 20 5 EFBDRO C[NH+](C)CCc1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC000865715467 1303375511 /nfs/dbraw/zinc/37/55/11/1303375511.db2.gz TUIMLCZYLLCRBS-UHFFFAOYSA-N 1 0 347.390 2.942 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865800829 1303406729 /nfs/dbraw/zinc/40/67/29/1303406729.db2.gz NKMPJRVTOSSJKB-UHFFFAOYSA-N 1 0 345.374 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](N3CCOCC3)C2)c(C(F)F)c1 ZINC000865843086 1303426080 /nfs/dbraw/zinc/42/60/80/1303426080.db2.gz JZBDIHBWHYBEPR-ZDUSSCGKSA-N 1 0 341.358 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C(F)F)c1 ZINC000865854274 1303428830 /nfs/dbraw/zinc/42/88/30/1303428830.db2.gz NXXQFCANPJUBTI-TXEJJXNPSA-N 1 0 327.331 2.808 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097231090 1313921728 /nfs/dbraw/zinc/92/17/28/1313921728.db2.gz NJSLHHBOHXVFNP-OKILXGFUSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nnc2ccccn21 ZINC000866218676 1303568063 /nfs/dbraw/zinc/56/80/63/1303568063.db2.gz VZOZFICTWMNBFO-GFCCVEGCSA-N 1 0 343.362 2.540 20 5 EFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242663 1303576784 /nfs/dbraw/zinc/57/67/84/1303576784.db2.gz LMQLCOJIMQDSOI-RYUDHWBXSA-N 1 0 325.384 2.559 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccccc1 ZINC000866245885 1303578545 /nfs/dbraw/zinc/57/85/45/1303578545.db2.gz HINRXSPSAQTSOM-ZDUSSCGKSA-N 1 0 345.374 2.571 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000866312274 1303599592 /nfs/dbraw/zinc/59/95/92/1303599592.db2.gz RUFWGQBAMVATHF-WFASDCNBSA-N 1 0 338.379 2.940 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866350454 1303614285 /nfs/dbraw/zinc/61/42/85/1303614285.db2.gz BSEHVPSBSZKVDG-GXTWGEPZSA-N 1 0 337.395 2.513 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363987 1303616095 /nfs/dbraw/zinc/61/60/95/1303616095.db2.gz PDYPVPWYROORMJ-QWHCGFSZSA-N 1 0 339.411 2.807 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000866386512 1303619829 /nfs/dbraw/zinc/61/98/29/1303619829.db2.gz CIXRKCLDNUZYQS-NBHSMZAVSA-N 1 0 330.359 2.913 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000866386413 1303620134 /nfs/dbraw/zinc/62/01/34/1303620134.db2.gz FOMPWAFUHNHINC-OPPOKSIISA-N 1 0 342.436 2.944 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H](O)C2CCCC2)n1 ZINC000866639118 1303725733 /nfs/dbraw/zinc/72/57/33/1303725733.db2.gz WMENBSNWSOFJMA-XHSDSOJGSA-N 1 0 336.436 2.806 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121194401 1303754524 /nfs/dbraw/zinc/75/45/24/1303754524.db2.gz VMCZXBOFQQSJPD-AWEZNQCLSA-N 1 0 332.404 2.959 20 5 EFBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000867927566 1304022992 /nfs/dbraw/zinc/02/29/92/1304022992.db2.gz JGISXHZLDBRTEW-KZULUSFZSA-N 1 0 345.374 2.828 20 5 EFBDRO Cc1ccc(C[C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867944828 1304032318 /nfs/dbraw/zinc/03/23/18/1304032318.db2.gz JKIVYXBJDILDPB-APPDUMDISA-N 1 0 347.440 2.886 20 5 EFBDRO Cc1ccc(C[C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867944831 1304032344 /nfs/dbraw/zinc/03/23/44/1304032344.db2.gz JKIVYXBJDILDPB-PIGZYNQJSA-N 1 0 347.440 2.886 20 5 EFBDRO Cc1ccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946214 1304033682 /nfs/dbraw/zinc/03/36/82/1304033682.db2.gz DQJUDJHXGAYLOO-GOSISDBHSA-N 1 0 327.384 2.702 20 5 EFBDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947400 1304035634 /nfs/dbraw/zinc/03/56/34/1304035634.db2.gz FDEVMBKSBULBHK-MJGOQNOKSA-N 1 0 339.395 2.881 20 5 EFBDRO Cc1ccc([C@@H](C)CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867950741 1304037610 /nfs/dbraw/zinc/03/76/10/1304037610.db2.gz ZXIXGTHIICPHBO-LIRRHRJNSA-N 1 0 341.411 2.997 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867952718 1304040251 /nfs/dbraw/zinc/04/02/51/1304040251.db2.gz DNBWQPOBQZWUEZ-SFHVURJKSA-N 1 0 327.384 2.518 20 5 EFBDRO CS[C@@H]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867953132 1304040960 /nfs/dbraw/zinc/04/09/60/1304040960.db2.gz NRTQUVVWLKHZOF-XNRPHZJLSA-N 1 0 337.445 2.559 20 5 EFBDRO Cc1cc(C)cc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867953906 1304041218 /nfs/dbraw/zinc/04/12/18/1304041218.db2.gz DMJZLNGQVSYASM-LJQANCHMSA-N 1 0 341.411 2.744 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956799 1304043686 /nfs/dbraw/zinc/04/36/86/1304043686.db2.gz UFYOVFSNIMUQSF-LZWOXQAQSA-N 1 0 337.445 2.559 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000869328900 1304722914 /nfs/dbraw/zinc/72/29/14/1304722914.db2.gz OHQLYWMITZXLFU-AWEZNQCLSA-N 1 0 349.406 2.515 20 5 EFBDRO CNc1ccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000870960768 1305713158 /nfs/dbraw/zinc/71/31/58/1305713158.db2.gz MPMGXVDXLRIJBU-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217971498 1315127098 /nfs/dbraw/zinc/12/70/98/1315127098.db2.gz ILWNANZUUBMATO-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217972004 1315127203 /nfs/dbraw/zinc/12/72/03/1315127203.db2.gz BHULOJCHIYXYRT-VIFPVBQESA-N 1 0 330.182 2.582 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc1Br ZINC001217971416 1315127226 /nfs/dbraw/zinc/12/72/26/1315127226.db2.gz HWHIOPIXVGYCJR-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217948750 1315123431 /nfs/dbraw/zinc/12/34/31/1315123431.db2.gz VFMYMOGZXRUVOW-GHMZBOCLSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CCC[NH2+]C1)CCC2 ZINC001218285291 1315174685 /nfs/dbraw/zinc/17/46/85/1315174685.db2.gz IPYHHLJXLDCIDZ-JTQLQIEISA-N 1 0 341.205 2.977 20 5 EFBDRO c1cnc2c(c1)ccc1cc(-c3cnc(N4CC[NH2+]CC4)nc3)cnc12 ZINC001241899365 1314162341 /nfs/dbraw/zinc/16/23/41/1314162341.db2.gz UVWWINNSIMHDQY-UHFFFAOYSA-N 1 0 342.406 2.650 20 5 EFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900053474 1307623698 /nfs/dbraw/zinc/62/36/98/1307623698.db2.gz AENWSYNMHHBNHK-UHFFFAOYSA-N 1 0 341.770 2.744 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900240480 1307809489 /nfs/dbraw/zinc/80/94/89/1307809489.db2.gz LDAWXHXCXBNKHP-WDEREUQCSA-N 1 0 341.770 2.744 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000900273213 1307854885 /nfs/dbraw/zinc/85/48/85/1307854885.db2.gz UWZCYDSSAXHDCX-JTQLQIEISA-N 1 0 343.786 2.849 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900693704 1308541855 /nfs/dbraw/zinc/54/18/55/1308541855.db2.gz AMBGNNOSUYHHCW-SECBINFHSA-N 1 0 331.775 2.847 20 5 EFBDRO C[NH+]1CCN(c2ccccc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209936622 1314261633 /nfs/dbraw/zinc/26/16/33/1314261633.db2.gz UVPKNAJAMQCTME-UHFFFAOYSA-N 1 0 327.388 2.672 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900884511 1308822843 /nfs/dbraw/zinc/82/28/43/1308822843.db2.gz BOIDOAQKDYGCTD-LLVKDONJSA-N 1 0 343.786 2.944 20 5 EFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000801040763 1308938705 /nfs/dbraw/zinc/93/87/05/1308938705.db2.gz ZNPAWECGOSKHJN-HNNXBMFYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901026726 1309225658 /nfs/dbraw/zinc/22/56/58/1309225658.db2.gz OULWIOJUCNTWIC-UFBFGSQYSA-N 1 0 341.770 2.600 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)nc2)CC1 ZINC001210378706 1314323657 /nfs/dbraw/zinc/32/36/57/1314323657.db2.gz NREJUXPYELGKBH-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801600581 1310578686 /nfs/dbraw/zinc/57/86/86/1310578686.db2.gz QXXKDIQOUWUDAC-KRWDZBQOSA-N 1 0 345.355 2.711 20 5 EFBDRO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000801601066 1310582057 /nfs/dbraw/zinc/58/20/57/1310582057.db2.gz AJJUDZFMCFWOEF-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210955840 1314416149 /nfs/dbraw/zinc/41/61/49/1314416149.db2.gz MXIMLOLQZILAKG-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751934976 1311141978 /nfs/dbraw/zinc/14/19/78/1311141978.db2.gz ULOUZJUODACEEC-WMLDXEAASA-N 1 0 347.419 2.741 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001222778015 1311182734 /nfs/dbraw/zinc/18/27/34/1311182734.db2.gz SJKWDOSVBSICDR-ZDUSSCGKSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1c(COC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001223293829 1311238911 /nfs/dbraw/zinc/23/89/11/1311238911.db2.gz FAJMKQRSDWSFMO-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO Cc1ccc(NCCN(C)C(=O)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001101643659 1311257219 /nfs/dbraw/zinc/25/72/19/1311257219.db2.gz TXRVMSMWPOAVDK-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO Cc1cc(NCCN(C)C(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001101643704 1311257421 /nfs/dbraw/zinc/25/74/21/1311257421.db2.gz WBYQSEAZFUQPPF-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001223448276 1311262357 /nfs/dbraw/zinc/26/23/57/1311262357.db2.gz IOWHWSCSZMVMLF-FVCICTRLSA-N 1 0 348.399 2.628 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001101830487 1311264259 /nfs/dbraw/zinc/26/42/59/1311264259.db2.gz VDYOYYPAWJOVMP-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO COC(=O)[C@H](O[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223645678 1311286179 /nfs/dbraw/zinc/28/61/79/1311286179.db2.gz CIGBMXJLALISCL-CZUORRHYSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001223664771 1311288899 /nfs/dbraw/zinc/28/88/99/1311288899.db2.gz LUSLNPSZSKXGDT-BTTYYORXSA-N 1 0 334.372 2.523 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c1 ZINC001223966783 1311326776 /nfs/dbraw/zinc/32/67/76/1311326776.db2.gz NZZINSCEWNGYJM-HNNXBMFYSA-N 1 0 336.388 2.772 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COCCc3ccc([N+](=O)[O-])cc3)O2)CC1 ZINC001224327535 1311376577 /nfs/dbraw/zinc/37/65/77/1311376577.db2.gz DDKIKRPISJEVKH-KRWDZBQOSA-N 1 0 334.416 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc(CCO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001224332631 1311376839 /nfs/dbraw/zinc/37/68/39/1311376839.db2.gz ZOXZKNNPCBPPIA-SAABIXHNSA-N 1 0 334.416 2.797 20 5 EFBDRO [NH3+]Cc1ccn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c1 ZINC001158767380 1311384129 /nfs/dbraw/zinc/38/41/29/1311384129.db2.gz TUWJLKFNVXKFKD-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO C[N+](C)(C)CCCO[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC001224621974 1311414588 /nfs/dbraw/zinc/41/45/88/1311414588.db2.gz DPGFTQUCVAVHRU-CQSZACIVSA-N 1 0 343.289 2.536 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCC[N+](C)(C)C)C(F)(F)C1 ZINC001224618844 1311414186 /nfs/dbraw/zinc/41/41/86/1311414186.db2.gz IWBLVBGIFLUFGU-CYBMUJFWSA-N 1 0 337.431 2.744 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2OCCC[N+](C)(C)C)C1 ZINC001224619798 1311414622 /nfs/dbraw/zinc/41/46/22/1311414622.db2.gz QUSLNOUPOMVHNQ-QAPCUYQASA-N 1 0 327.489 2.889 20 5 EFBDRO C[N+](C)(C)CCCO[C@@H](CS(C)(=O)=O)c1ccccc1Cl ZINC001224621983 1311414629 /nfs/dbraw/zinc/41/46/29/1311414629.db2.gz DZETYQOAGKFYGV-HNNXBMFYSA-N 1 0 334.889 2.539 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](OCCC[N+](C)(C)C)C2 ZINC001224623488 1311415260 /nfs/dbraw/zinc/41/52/60/1311415260.db2.gz OBJZWXUYBFJBNK-HNNXBMFYSA-N 1 0 327.489 2.889 20 5 EFBDRO CSc1nc(Cl)cc(N2CC[C@@H](OCCC[N+](C)(C)C)C2)n1 ZINC001224624598 1311415353 /nfs/dbraw/zinc/41/53/53/1311415353.db2.gz YJJJYMLISXQGCF-GFCCVEGCSA-N 1 0 345.920 2.544 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC2(CC(OCC[N+](C)(C)C)C2)C1 ZINC001224770958 1311432528 /nfs/dbraw/zinc/43/25/28/1311432528.db2.gz DDWHETIOLYQZBK-UHFFFAOYSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC[C@H]2OCC[N+](C)(C)C)CC1 ZINC001224771136 1311432534 /nfs/dbraw/zinc/43/25/34/1311432534.db2.gz HCSFHEHAEMUEAB-OAHLLOKOSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC(OCC[N+](C)(C)C)C2)CC1 ZINC001224771272 1311432577 /nfs/dbraw/zinc/43/25/77/1311432577.db2.gz IAXQJWJVVCANNB-UHFFFAOYSA-N 1 0 327.489 2.889 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159026407 1311436168 /nfs/dbraw/zinc/43/61/68/1311436168.db2.gz RAPBGGOQLQSNQI-UHFFFAOYSA-N 1 0 345.790 2.637 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159026746 1311436303 /nfs/dbraw/zinc/43/63/03/1311436303.db2.gz YMBPEHQCSLFVOL-UHFFFAOYSA-N 1 0 328.347 2.728 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC4(C[NH2+]C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001159042936 1311440141 /nfs/dbraw/zinc/44/01/41/1311440141.db2.gz OZHNQDUFOYQLOJ-UHFFFAOYSA-N 1 0 339.399 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(C[NH2+]C4)CC3)c2c1 ZINC001159049236 1311441037 /nfs/dbraw/zinc/44/10/37/1311441037.db2.gz BFLFSTMFXPHNFQ-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC3(C[NH2+]C3)CC2)nc1-c1ccc(F)cc1 ZINC001159050254 1311441383 /nfs/dbraw/zinc/44/13/83/1311441383.db2.gz YFJQTXKTZOOIND-UHFFFAOYSA-N 1 0 342.374 2.986 20 5 EFBDRO CC(C)[NH+]1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224987869 1311459767 /nfs/dbraw/zinc/45/97/67/1311459767.db2.gz WIPSEXWIWUYLLY-UHFFFAOYSA-N 1 0 336.388 2.527 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1(C)C ZINC001159397152 1311508777 /nfs/dbraw/zinc/50/87/77/1311508777.db2.gz GJMCZBKTKLOZLF-UHFFFAOYSA-N 1 0 342.827 2.945 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225431539 1311522982 /nfs/dbraw/zinc/52/29/82/1311522982.db2.gz RSAJBMWBSBHGGR-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO C[C@@H](Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159500997 1311527483 /nfs/dbraw/zinc/52/74/83/1311527483.db2.gz UWJFUATWANOLHL-RNCFNFMXSA-N 1 0 336.779 2.585 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001159554807 1311540419 /nfs/dbraw/zinc/54/04/19/1311540419.db2.gz JBWUKIPHVJMJDY-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO O=[N+]([O-])c1cccnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225594147 1311549747 /nfs/dbraw/zinc/54/97/47/1311549747.db2.gz CWXHAIRFGLBNOW-MRXNPFEDSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225635060 1311557527 /nfs/dbraw/zinc/55/75/27/1311557527.db2.gz WOVQYMQSTKIEJV-UKRRQHHQSA-N 1 0 328.372 2.989 20 5 EFBDRO CC(C)(CC(F)F)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001159690323 1311565937 /nfs/dbraw/zinc/56/59/37/1311565937.db2.gz CMBHUHHSAXMBMQ-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO CC(C)[NH+]1CCC(Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225888743 1311586605 /nfs/dbraw/zinc/58/66/05/1311586605.db2.gz FQSKMAVDAMXHRF-UHFFFAOYSA-N 1 0 327.312 2.894 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225894630 1311587412 /nfs/dbraw/zinc/58/74/12/1311587412.db2.gz KEEXBPRVFOZVTO-LLVKDONJSA-N 1 0 327.312 2.894 20 5 EFBDRO COc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC001159946459 1311614353 /nfs/dbraw/zinc/61/43/53/1311614353.db2.gz AJKYBGWPMOOGEV-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ncc(Cl)cc3[N+](=O)[O-])O2)CC1 ZINC001226129368 1311616838 /nfs/dbraw/zinc/61/68/38/1311616838.db2.gz CUXOJOMRJBUGOO-LBPRGKRZSA-N 1 0 341.795 2.665 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc([N+](=O)[O-])c(F)cc3F)O2)CC1 ZINC001226192572 1311626960 /nfs/dbraw/zinc/62/69/60/1311626960.db2.gz XBSGOYPZQILPCN-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108725 1311645952 /nfs/dbraw/zinc/64/59/52/1311645952.db2.gz WBYWQUKOVGUCFL-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3ccc(-c4ccccc4[N+](=O)[O-])nn3)nc2c1 ZINC001160143283 1311654905 /nfs/dbraw/zinc/65/49/05/1311654905.db2.gz KREQSMCIZZKWFV-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC[C@H]1CCCC[NH2+]1 ZINC001160151763 1311655680 /nfs/dbraw/zinc/65/56/80/1311655680.db2.gz YXBGHZWGNYTDFW-ZCFIWIBFSA-N 1 0 339.705 2.611 20 5 EFBDRO CN1CCO[C@@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385697 1311659713 /nfs/dbraw/zinc/65/97/13/1311659713.db2.gz JIUWCFRDUVEZMA-MRXNPFEDSA-N 1 0 328.368 2.971 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2C[NH3+])n1 ZINC001160337824 1311692280 /nfs/dbraw/zinc/69/22/80/1311692280.db2.gz MMMVOGVVYSXFQO-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579730 1311692436 /nfs/dbraw/zinc/69/24/36/1311692436.db2.gz SSSJISGUXFDDMM-CHWSQXEVSA-N 1 0 344.371 2.608 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394636 1311702769 /nfs/dbraw/zinc/70/27/69/1311702769.db2.gz LJSDONSLFSDATG-ZBEGNZNMSA-N 1 0 327.340 2.795 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001160418592 1311706305 /nfs/dbraw/zinc/70/63/05/1311706305.db2.gz DJXUODOKLBQBLA-UHFFFAOYSA-N 1 0 342.277 2.758 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC001226743301 1311717322 /nfs/dbraw/zinc/71/73/22/1311717322.db2.gz BWVFCVKYQPZFCK-AULYBMBSSA-N 1 0 342.342 2.895 20 5 EFBDRO CN(C)/C=C/c1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC001160473061 1311718130 /nfs/dbraw/zinc/71/81/30/1311718130.db2.gz RMMYPZSPBALZFY-OMYBWALPSA-N 1 0 345.447 2.949 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001226764577 1311720303 /nfs/dbraw/zinc/72/03/03/1311720303.db2.gz LFLYDUPVUGWPJX-UKRRQHHQSA-N 1 0 328.372 2.908 20 5 EFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001226805894 1311726401 /nfs/dbraw/zinc/72/64/01/1311726401.db2.gz DXVRCVQBWOWEQD-XYPYZODXSA-N 1 0 334.351 2.929 20 5 EFBDRO Cc1nc(Cl)nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160659825 1311753182 /nfs/dbraw/zinc/75/31/82/1311753182.db2.gz BCADMHSFEFGXIB-LLVKDONJSA-N 1 0 349.822 2.948 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@H](C)C[NH3+])n1 ZINC001160662870 1311754263 /nfs/dbraw/zinc/75/42/63/1311754263.db2.gz VFUHBZPSSPGOFF-LLVKDONJSA-N 1 0 349.822 2.948 20 5 EFBDRO C[NH+](C)CC[C@@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001227109336 1311763370 /nfs/dbraw/zinc/76/33/70/1311763370.db2.gz XAJCYIIVWOZJOM-OAHLLOKOSA-N 1 0 346.343 2.970 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CC[C@@H]1O ZINC001160734623 1311771127 /nfs/dbraw/zinc/77/11/27/1311771127.db2.gz DXMZDKDSEAYYSA-FPOVZHCZSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)CN1CC[NH2+]CC1 ZINC001160737583 1311771874 /nfs/dbraw/zinc/77/18/74/1311771874.db2.gz JAGQFDBWTPMTST-UHFFFAOYSA-N 1 0 347.462 2.857 20 5 EFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902481426 1311781313 /nfs/dbraw/zinc/78/13/13/1311781313.db2.gz CRUNIWSHQAMSHV-WBVHZDCISA-N 1 0 343.431 2.540 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001227284760 1311788538 /nfs/dbraw/zinc/78/85/38/1311788538.db2.gz PPKKJFLMNJRDAK-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001227301570 1311790881 /nfs/dbraw/zinc/79/08/81/1311790881.db2.gz PMPLVPDWVHZPEH-XOIINTDNSA-N 1 0 348.399 2.881 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1I ZINC001227318098 1311792602 /nfs/dbraw/zinc/79/26/02/1311792602.db2.gz MYZCNUGESBTEEB-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO COc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001160841682 1311794636 /nfs/dbraw/zinc/79/46/36/1311794636.db2.gz XYWHFKDOXINEPO-UHFFFAOYSA-N 1 0 341.371 2.574 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(Cl)c([N+](=O)[O-])cc21 ZINC001227363846 1311797857 /nfs/dbraw/zinc/79/78/57/1311797857.db2.gz HFVUXBXTBVNZJR-VIFPVBQESA-N 1 0 325.776 2.665 20 5 EFBDRO O=C(CCCF)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001160896576 1311805123 /nfs/dbraw/zinc/80/51/23/1311805123.db2.gz UNBHIYADGNCGBE-UHFFFAOYSA-N 1 0 349.406 2.983 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227498184 1311813000 /nfs/dbraw/zinc/81/30/00/1311813000.db2.gz MIKPKQCRQPGVPU-VIFPVBQESA-N 1 0 342.308 2.520 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1OC1CCC([NH+](C)C)CC1 ZINC001227540740 1311818559 /nfs/dbraw/zinc/81/85/59/1311818559.db2.gz BMRRGGMMIHDGRC-UHFFFAOYSA-N 1 0 328.390 2.695 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1OC1CC[NH+](C(C)C)CC1 ZINC001227541609 1311818841 /nfs/dbraw/zinc/81/88/41/1311818841.db2.gz JPYFWZYDKJNJIB-UHFFFAOYSA-N 1 0 328.390 2.695 20 5 EFBDRO [NH3+]Cc1cc2ccncc2n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160961500 1311822582 /nfs/dbraw/zinc/82/25/82/1311822582.db2.gz CCJINMKBZPJBKP-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)cc1F ZINC001227585775 1311825480 /nfs/dbraw/zinc/82/54/80/1311825480.db2.gz WJRWDEFOHQLCHK-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO CC(C)CCOC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227589760 1311826129 /nfs/dbraw/zinc/82/61/29/1311826129.db2.gz CPKKZAFYVFAGEM-ZDUSSCGKSA-O 1 0 340.440 2.774 20 5 EFBDRO COc1cccc([N+](=O)[O-])c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001227695179 1311840933 /nfs/dbraw/zinc/84/09/33/1311840933.db2.gz DUNJZCQFWLJGOC-CYBMUJFWSA-N 1 0 336.388 2.626 20 5 EFBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC001161060712 1311848712 /nfs/dbraw/zinc/84/87/12/1311848712.db2.gz YKFQCUWXRJCVSD-UHFFFAOYSA-N 1 0 336.417 2.511 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(NC2(Cc3ccccn3)CC[NH2+]CC2)n1 ZINC001161491841 1311899956 /nfs/dbraw/zinc/89/99/56/1311899956.db2.gz RUDWZNGNCLLGEM-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO Cc1cc(C)nc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001161575870 1311920519 /nfs/dbraw/zinc/92/05/19/1311920519.db2.gz MRLLLBGDTMYSSK-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO [NH3+]C1(CC2CCC2)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161576585 1311920655 /nfs/dbraw/zinc/92/06/55/1311920655.db2.gz QEZQNADPYJYUSM-UHFFFAOYSA-N 1 0 329.404 2.959 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228656090 1311976257 /nfs/dbraw/zinc/97/62/57/1311976257.db2.gz YZYBUNQMNAFZTI-ZSHCYNCHSA-N 1 0 340.383 2.959 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001228655258 1311976424 /nfs/dbraw/zinc/97/64/24/1311976424.db2.gz PWCNJOGXINSWJB-QLPKVWCKSA-N 1 0 340.383 2.674 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001161877994 1311993447 /nfs/dbraw/zinc/99/34/47/1311993447.db2.gz WDXZFLDPBUCEQP-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO O=c1oc2ccccc2c(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001228805486 1312002631 /nfs/dbraw/zinc/00/26/31/1312002631.db2.gz KMMTYBXKVJBAKN-UHFFFAOYSA-N 1 0 330.340 2.707 20 5 EFBDRO Cc1cnc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001161985615 1312020975 /nfs/dbraw/zinc/02/09/75/1312020975.db2.gz LHKOJUOLLBJXQW-UHFFFAOYSA-N 1 0 344.390 2.978 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])c(Cl)n3)O2)CC1 ZINC001228934549 1312022492 /nfs/dbraw/zinc/02/24/92/1312022492.db2.gz RILWGWTWBZCRQU-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001228962092 1312027860 /nfs/dbraw/zinc/02/78/60/1312027860.db2.gz FFMUBVXXLKKOHR-SNVBAGLBSA-N 1 0 328.752 2.508 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1Br ZINC001229086279 1312045969 /nfs/dbraw/zinc/04/59/69/1312045969.db2.gz OMTRKACVYUVVAN-CYBMUJFWSA-N 1 0 327.178 2.830 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001229146017 1312053640 /nfs/dbraw/zinc/05/36/40/1312053640.db2.gz OHZRISUJTDTLDZ-ZDUSSCGKSA-N 1 0 327.178 2.830 20 5 EFBDRO CCc1coc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)n1 ZINC001162140400 1312054915 /nfs/dbraw/zinc/05/49/15/1312054915.db2.gz LSDSTFQGKGEEKT-UHFFFAOYSA-N 1 0 334.376 2.698 20 5 EFBDRO COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229344176 1312081525 /nfs/dbraw/zinc/08/15/25/1312081525.db2.gz RNENNPHFLSYUPD-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001162337236 1312089289 /nfs/dbraw/zinc/08/92/89/1312089289.db2.gz LTZBSKTZWJCSID-QGZVFWFLSA-N 1 0 327.388 2.948 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001229489457 1312103952 /nfs/dbraw/zinc/10/39/52/1312103952.db2.gz CEMAICAPWXUHAZ-XBXGTLAGSA-N 1 0 347.371 2.758 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162456131 1312106859 /nfs/dbraw/zinc/10/68/59/1312106859.db2.gz GKOLWHKYQISZNQ-VHSXEESVSA-N 1 0 343.225 2.800 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001162470774 1312109817 /nfs/dbraw/zinc/10/98/17/1312109817.db2.gz MCDKVYRXCGWWNN-CHWSQXEVSA-N 1 0 335.404 2.819 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162478185 1312110837 /nfs/dbraw/zinc/11/08/37/1312110837.db2.gz XQIUDUGOKBBRPI-JQWIXIFHSA-N 1 0 339.367 2.662 20 5 EFBDRO O=[N+]([O-])c1ncc(Br)cc1OC1CC[NH+](C2CC2)CC1 ZINC001229561346 1312113784 /nfs/dbraw/zinc/11/37/84/1312113784.db2.gz WOSJBDVLTBFRNS-UHFFFAOYSA-N 1 0 342.193 2.758 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229563727 1312114419 /nfs/dbraw/zinc/11/44/19/1312114419.db2.gz WFFDFFSZBQVOMO-SECBINFHSA-N 1 0 332.198 2.861 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCc3ccccc32)nc1C1C[NH2+]C1 ZINC001162554689 1312123648 /nfs/dbraw/zinc/12/36/48/1312123648.db2.gz JXBJBOKUMMJWLF-CYBMUJFWSA-N 1 0 339.399 2.604 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCc3ccccc32)nc1C1C[NH2+]C1 ZINC001162554690 1312123651 /nfs/dbraw/zinc/12/36/51/1312123651.db2.gz JXBJBOKUMMJWLF-ZDUSSCGKSA-N 1 0 339.399 2.604 20 5 EFBDRO Cc1cc(O)c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001229751231 1312132934 /nfs/dbraw/zinc/13/29/34/1312132934.db2.gz TXURSDXDSNHWSH-CYBMUJFWSA-N 1 0 336.388 2.631 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C ZINC001162601563 1312133643 /nfs/dbraw/zinc/13/36/43/1312133643.db2.gz OEWFLCDWLODDFX-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CCc1cncc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001162622270 1312137927 /nfs/dbraw/zinc/13/79/27/1312137927.db2.gz KKCQJKXIOHCORZ-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO CC(=O)N(CC[NH2+]Cc1csc([N+](=O)[O-])c1)CCc1ccccc1 ZINC001162639301 1312141250 /nfs/dbraw/zinc/14/12/50/1312141250.db2.gz VKKKFDCLVNBNIZ-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO C[C@H](C[NH+](C)C)Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229804009 1312142845 /nfs/dbraw/zinc/14/28/45/1312142845.db2.gz VCEAHGLYWRZYCV-SNVBAGLBSA-N 1 0 329.352 2.686 20 5 EFBDRO Nc1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncc1[N+](=O)[O-] ZINC001162658845 1312145544 /nfs/dbraw/zinc/14/55/44/1312145544.db2.gz OTQGKUVISZQUJJ-UHFFFAOYSA-N 1 0 331.763 2.671 20 5 EFBDRO CCOC(=O)c1cnc(O[C@H](C)C[N+](C)(C)C)nc1-c1ccccc1 ZINC001229831190 1312146809 /nfs/dbraw/zinc/14/68/09/1312146809.db2.gz PYCMRWROYJIDJJ-CQSZACIVSA-N 1 0 344.435 2.794 20 5 EFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229868917 1312151857 /nfs/dbraw/zinc/15/18/57/1312151857.db2.gz PGZOBLOWQPQVCO-NSHDSACASA-N 1 0 339.348 2.682 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001229898252 1312156666 /nfs/dbraw/zinc/15/66/66/1312156666.db2.gz CCYOPRKEEOKBEF-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229903770 1312157602 /nfs/dbraw/zinc/15/76/02/1312157602.db2.gz QHGTZMDSXKSOLC-ITGUQSILSA-N 1 0 334.372 2.694 20 5 EFBDRO COC(=O)c1cc(OC2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229942969 1312162197 /nfs/dbraw/zinc/16/21/97/1312162197.db2.gz SHCPSTYLUBOEHN-UHFFFAOYSA-N 1 0 340.351 2.772 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162765739 1312171147 /nfs/dbraw/zinc/17/11/47/1312171147.db2.gz ISZSHXMLVOJWDN-JTQLQIEISA-N 1 0 340.339 2.740 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001230038206 1312175872 /nfs/dbraw/zinc/17/58/72/1312175872.db2.gz RITZXAHHUMYVCU-QMMMGPOBSA-N 1 0 333.206 2.534 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162804080 1312178837 /nfs/dbraw/zinc/17/88/37/1312178837.db2.gz ZUDSGYNOTMKYKB-QJPTWQEYSA-N 1 0 330.775 2.982 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162814805 1312182055 /nfs/dbraw/zinc/18/20/55/1312182055.db2.gz DYFXGQIHOJVYFP-UHFFFAOYSA-N 1 0 341.367 2.639 20 5 EFBDRO CON(C)C(=O)c1cc2ccccc2cc1O[C@H](C)C[N+](C)(C)C ZINC001230070216 1312183000 /nfs/dbraw/zinc/18/30/00/1312183000.db2.gz MEXZLMUGTZDJMU-CQSZACIVSA-N 1 0 331.436 2.947 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001162847893 1312188724 /nfs/dbraw/zinc/18/87/24/1312188724.db2.gz ZTXIVHFWKSPBED-SNVBAGLBSA-N 1 0 327.369 2.621 20 5 EFBDRO CC(=O)Nc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162850920 1312189646 /nfs/dbraw/zinc/18/96/46/1312189646.db2.gz UMOBSCCPTHDONF-CYBMUJFWSA-N 1 0 326.356 2.575 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957349 1312211170 /nfs/dbraw/zinc/21/11/70/1312211170.db2.gz LMGCTWIHERQIGQ-LLVKDONJSA-N 1 0 340.811 2.604 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001162969760 1312214785 /nfs/dbraw/zinc/21/47/85/1312214785.db2.gz AYIPXYHOVBDLNF-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163051799 1312232555 /nfs/dbraw/zinc/23/25/55/1312232555.db2.gz CGXUKPDJKAQQLV-AWEZNQCLSA-N 1 0 338.367 2.921 20 5 EFBDRO CC(C)Oc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163058673 1312234074 /nfs/dbraw/zinc/23/40/74/1312234074.db2.gz OWADNUIXKANIPZ-ZDUSSCGKSA-N 1 0 346.387 2.555 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cc(C(F)(F)F)c1 ZINC001163090625 1312238850 /nfs/dbraw/zinc/23/88/50/1312238850.db2.gz XZRKQZAZPBYMDX-SNVBAGLBSA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001163094715 1312239402 /nfs/dbraw/zinc/23/94/02/1312239402.db2.gz BABMXUTWXCWKRD-CYBMUJFWSA-N 1 0 327.384 2.929 20 5 EFBDRO c1cnc2c(c1)cc(NCC[C@@H]1CCOC13C[NH2+]C3)c1cccnc12 ZINC001163094562 1312239431 /nfs/dbraw/zinc/23/94/31/1312239431.db2.gz LAEIMTWKFIQWID-OAHLLOKOSA-N 1 0 334.423 2.964 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001163103796 1312241463 /nfs/dbraw/zinc/24/14/63/1312241463.db2.gz JSFHFYBZZGMGHX-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=C(CC1CC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163117189 1312244486 /nfs/dbraw/zinc/24/44/86/1312244486.db2.gz VRPRMYHTIKCFDU-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO Cc1cc(Cl)c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163177510 1312257775 /nfs/dbraw/zinc/25/77/75/1312257775.db2.gz HLEZJTDSNSFCHT-GYSYKLTISA-N 1 0 325.796 2.593 20 5 EFBDRO COc1cc(C)nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)c1[N+](=O)[O-] ZINC001163217881 1312266033 /nfs/dbraw/zinc/26/60/33/1312266033.db2.gz FLLXDODKFWXYGK-UHFFFAOYSA-N 1 0 339.355 2.618 20 5 EFBDRO COC(=O)c1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC001163219419 1312267013 /nfs/dbraw/zinc/26/70/13/1312267013.db2.gz VFJCDNSTSVPOTL-SJORKVTESA-N 1 0 341.367 2.897 20 5 EFBDRO CC(C)(C)c1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163268153 1312278395 /nfs/dbraw/zinc/27/83/95/1312278395.db2.gz AUUCCKUSODYWMG-FZKQIMNGSA-N 1 0 348.447 2.858 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3Cc4ccccc4C[NH2+]3)cnc2c1 ZINC001163272830 1312279626 /nfs/dbraw/zinc/27/96/26/1312279626.db2.gz VTJQMRCRLNVMGC-AWEZNQCLSA-N 1 0 335.367 2.664 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc2ncccc21 ZINC001163284394 1312282251 /nfs/dbraw/zinc/28/22/51/1312282251.db2.gz LMTKGORHBUOQSA-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO [NH3+]C[C@@H](NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)c1ccccc1 ZINC001163291984 1312283581 /nfs/dbraw/zinc/28/35/81/1312283581.db2.gz MIQWCSMUTZEBIF-SNVBAGLBSA-N 1 0 342.733 2.982 20 5 EFBDRO CC1(CC(=O)N2C[C@H]3CN(Cc4csc([N+](=O)[O-])c4)C[C@H]3C2)CC1 ZINC001048942425 1312283794 /nfs/dbraw/zinc/28/37/94/1312283794.db2.gz UXLMQAPPUZDXHA-OKILXGFUSA-N 1 0 349.456 2.737 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001163305027 1312285391 /nfs/dbraw/zinc/28/53/91/1312285391.db2.gz BLRGMNABICMIER-MRXNPFEDSA-N 1 0 339.355 2.659 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001163306929 1312285748 /nfs/dbraw/zinc/28/57/48/1312285748.db2.gz UDDHUPDKPBFWOA-MRXNPFEDSA-N 1 0 339.355 2.659 20 5 EFBDRO CC(C)(C)c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310125 1312286323 /nfs/dbraw/zinc/28/63/23/1312286323.db2.gz KAHUOIWLHCHYEF-CXAGYDPISA-N 1 0 334.420 2.610 20 5 EFBDRO CC(C)(C)c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310130 1312286631 /nfs/dbraw/zinc/28/66/31/1312286631.db2.gz KAHUOIWLHCHYEF-GUYCJALGSA-N 1 0 334.420 2.610 20 5 EFBDRO Nc1cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163320542 1312288539 /nfs/dbraw/zinc/28/85/39/1312288539.db2.gz UPHYEYOQFFAQJM-CYBMUJFWSA-N 1 0 331.420 2.805 20 5 EFBDRO Cc1nc(Cl)nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163358549 1312295558 /nfs/dbraw/zinc/29/55/58/1312295558.db2.gz UCANNXICYUNXAY-MWLCHTKSSA-N 1 0 327.816 2.877 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394491 1312303407 /nfs/dbraw/zinc/30/34/07/1312303407.db2.gz FZKNIMIHJWQLBM-ZDUSSCGKSA-N 1 0 339.779 2.541 20 5 EFBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)CCC1 ZINC001048988660 1312328715 /nfs/dbraw/zinc/32/87/15/1312328715.db2.gz LOCJXRYFCBQDKP-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO COc1cc(C)nc(N2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163669834 1312358940 /nfs/dbraw/zinc/35/89/40/1312358940.db2.gz XBTSPKQYGKIFAH-OAHLLOKOSA-N 1 0 342.399 2.800 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc(Cl)nc3[N+](=O)[O-])O2)CC1 ZINC001230871886 1312375432 /nfs/dbraw/zinc/37/54/32/1312375432.db2.gz HJKRQBGTODNKOB-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cnc(-n2c3ccccc3nc2C2CC[NH2+]CC2)c(F)c1 ZINC001163759779 1312379358 /nfs/dbraw/zinc/37/93/58/1312379358.db2.gz IWTWGZHYELUSSQ-UHFFFAOYSA-N 1 0 341.346 2.935 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccncc3)CC2)n1 ZINC001163827514 1312389958 /nfs/dbraw/zinc/38/99/58/1312389958.db2.gz XJFCRHXXWUSIFP-UHFFFAOYSA-N 1 0 341.415 2.714 20 5 EFBDRO Cn1cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1=O ZINC001163844455 1312393728 /nfs/dbraw/zinc/39/37/28/1312393728.db2.gz ZYNRKSGYGCMFMT-UHFFFAOYSA-N 1 0 330.388 2.899 20 5 EFBDRO C[NH+]1CCC(Oc2c(Br)cc(F)cc2[N+](=O)[O-])CC1 ZINC001230932709 1312396015 /nfs/dbraw/zinc/39/60/15/1312396015.db2.gz WSNVXOXWEUDBBJ-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO COc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc(C)c1[N+](=O)[O-] ZINC001163898054 1312403857 /nfs/dbraw/zinc/40/38/57/1312403857.db2.gz QGAZGVFFYDQMBW-UHFFFAOYSA-N 1 0 347.762 2.758 20 5 EFBDRO Cc1c(F)cnc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163904335 1312405400 /nfs/dbraw/zinc/40/54/00/1312405400.db2.gz FGMHMPJRIDMDJE-UHFFFAOYSA-N 1 0 345.378 2.911 20 5 EFBDRO C/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163991505 1312421591 /nfs/dbraw/zinc/42/15/91/1312421591.db2.gz AUPSDSYIKJFHQI-BNNQUZSASA-N 1 0 331.416 2.937 20 5 EFBDRO C/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163992106 1312422037 /nfs/dbraw/zinc/42/20/37/1312422037.db2.gz KNXFGIQISJSTTN-BASWHVEKSA-N 1 0 337.445 2.999 20 5 EFBDRO Cc1nc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1Br ZINC001231120181 1312436270 /nfs/dbraw/zinc/43/62/70/1312436270.db2.gz JQNHOVVNZZINKU-SNVBAGLBSA-N 1 0 344.209 2.922 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2nc(C)c(Br)cc2[N+](=O)[O-])C1 ZINC001231119793 1312436407 /nfs/dbraw/zinc/43/64/07/1312436407.db2.gz ABSAEPUBPMPNQH-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO Cc1nc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1Br ZINC001231121872 1312437813 /nfs/dbraw/zinc/43/78/13/1312437813.db2.gz OIIONLSMFHUCQI-UHFFFAOYSA-N 1 0 330.182 2.534 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C)CC[C@@H]3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001164073651 1312441906 /nfs/dbraw/zinc/44/19/06/1312441906.db2.gz NLZCPZAGPBENMA-SWLSCSKDSA-N 1 0 341.415 2.924 20 5 EFBDRO Cc1cc(N2C[C@@H](C)CC[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164080127 1312443037 /nfs/dbraw/zinc/44/30/37/1312443037.db2.gz ZQEGFXKANWQJEF-LRDDRELGSA-N 1 0 341.415 2.924 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231233233 1312459641 /nfs/dbraw/zinc/45/96/41/1312459641.db2.gz GRPFYIODNIPZBB-VIFPVBQESA-N 1 0 349.265 2.995 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001231242757 1312461806 /nfs/dbraw/zinc/46/18/06/1312461806.db2.gz GQPHYJDVRGDBPU-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C\c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC001231295779 1312473615 /nfs/dbraw/zinc/47/36/15/1312473615.db2.gz YQVRIRGZORBSEN-KTKRTIGZSA-N 1 0 343.383 2.839 20 5 EFBDRO CCCc1ccc2cccnc2c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001231327830 1312479472 /nfs/dbraw/zinc/47/94/72/1312479472.db2.gz UIVGSGBRDOXYCU-MRXNPFEDSA-N 1 0 331.436 2.550 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC001164257983 1312480365 /nfs/dbraw/zinc/48/03/65/1312480365.db2.gz UEDZQTNZSUEHKZ-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001164415909 1312510261 /nfs/dbraw/zinc/51/02/61/1312510261.db2.gz HVSWQWYQTMPVTO-UHFFFAOYSA-N 1 0 344.415 2.956 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164435839 1312513025 /nfs/dbraw/zinc/51/30/25/1312513025.db2.gz QXQCCRONUBSFBW-UHFFFAOYSA-N 1 0 347.806 2.535 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCC[C@H]2O)n1 ZINC000903262452 1312518207 /nfs/dbraw/zinc/51/82/07/1312518207.db2.gz DYSBURLRLKZSJY-LVQVYYBASA-N 1 0 336.436 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc1Cl ZINC001164608565 1312549525 /nfs/dbraw/zinc/54/95/25/1312549525.db2.gz UEDWGYOJFPPMHK-AWEZNQCLSA-N 1 0 346.818 2.973 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cc[nH]c1 ZINC001164609055 1312549614 /nfs/dbraw/zinc/54/96/14/1312549614.db2.gz YCIVVWUOVCAYGC-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC001164613177 1312551142 /nfs/dbraw/zinc/55/11/42/1312551142.db2.gz UDQJEXWAIARHEM-INIZCTEOSA-N 1 0 326.400 2.628 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001165073842 1312562902 /nfs/dbraw/zinc/56/29/02/1312562902.db2.gz WVMFVLOPSSRJCL-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001165078590 1312564040 /nfs/dbraw/zinc/56/40/40/1312564040.db2.gz ZXULTOBAZDNYGQ-OAHLLOKOSA-N 1 0 327.388 2.582 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2nonc2c1 ZINC000903331548 1312576322 /nfs/dbraw/zinc/57/63/22/1312576322.db2.gz YOCKLDMVNUIXNX-JTQLQIEISA-N 1 0 330.319 2.991 20 5 EFBDRO C[NH+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001165152760 1312579053 /nfs/dbraw/zinc/57/90/53/1312579053.db2.gz WDNZGKLKEICHKF-ZIAGYGMSSA-N 1 0 342.374 2.794 20 5 EFBDRO C[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001165152759 1312579072 /nfs/dbraw/zinc/57/90/72/1312579072.db2.gz WDNZGKLKEICHKF-KBPBESRZSA-N 1 0 342.374 2.794 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001165185375 1312582856 /nfs/dbraw/zinc/58/28/56/1312582856.db2.gz XBINBTVGGKZFPA-ZANVPECISA-N 1 0 346.765 2.576 20 5 EFBDRO O=[N+]([O-])c1ccc(-n2ncc3c2CC[NH2+]C3)nc1-c1ccc(F)cc1 ZINC001165222591 1312590346 /nfs/dbraw/zinc/59/03/46/1312590346.db2.gz FIKQMWQHXUPATK-UHFFFAOYSA-N 1 0 339.330 2.627 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165236239 1312592990 /nfs/dbraw/zinc/59/29/90/1312592990.db2.gz HOHXKUCIMWXVSY-ZDUSSCGKSA-N 1 0 331.203 2.877 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165237407 1312593032 /nfs/dbraw/zinc/59/30/32/1312593032.db2.gz WWGNDJOTBWTVDS-MRXNPFEDSA-N 1 0 347.806 2.771 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165245954 1312594860 /nfs/dbraw/zinc/59/48/60/1312594860.db2.gz DPLZZWDRBUHUCT-UHFFFAOYSA-N 1 0 346.218 2.804 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165265504 1312598600 /nfs/dbraw/zinc/59/86/00/1312598600.db2.gz UOMXNLHWKVUXKZ-LBPRGKRZSA-N 1 0 348.300 2.640 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(F)c1 ZINC001165267150 1312599014 /nfs/dbraw/zinc/59/90/14/1312599014.db2.gz ZEVVJXKVQCAWPY-GFCCVEGCSA-N 1 0 348.300 2.640 20 5 EFBDRO Cc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165300834 1312605222 /nfs/dbraw/zinc/60/52/22/1312605222.db2.gz LAZSPQQJZZGODN-LBPRGKRZSA-N 1 0 344.337 2.952 20 5 EFBDRO CN1CCc2c(NCC[C@H]3CCC[N@H+](C)C3)ccc([N+](=O)[O-])c2C1 ZINC001165301263 1312605509 /nfs/dbraw/zinc/60/55/09/1312605509.db2.gz ZHHKVYBQRXAXPM-CQSZACIVSA-N 1 0 332.448 2.727 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC001165350363 1312613924 /nfs/dbraw/zinc/61/39/24/1312613924.db2.gz VMVRURJCSSAWRP-UONOGXRCSA-N 1 0 330.775 2.719 20 5 EFBDRO Cc1cc(N2CCC(C3C[NH2+]C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165410926 1312623608 /nfs/dbraw/zinc/62/36/08/1312623608.db2.gz PVYSSBIEGPSLJE-UHFFFAOYSA-N 1 0 326.400 2.887 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]2CF)CC1 ZINC001165428756 1312628206 /nfs/dbraw/zinc/62/82/06/1312628206.db2.gz GAKFFPUTPILWPG-AAEUAGOBSA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1c(F)cnc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001165426803 1312628510 /nfs/dbraw/zinc/62/85/10/1312628510.db2.gz BUUIMNSZLZGFGS-UHFFFAOYSA-N 1 0 330.363 2.981 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001165560111 1312647301 /nfs/dbraw/zinc/64/73/01/1312647301.db2.gz PKAUYLQGIHWPQB-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903416442 1312647384 /nfs/dbraw/zinc/64/73/84/1312647384.db2.gz SRQMNNXVOPTENT-JKSUJKDBSA-N 1 0 329.404 2.811 20 5 EFBDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222670 1312651683 /nfs/dbraw/zinc/65/16/83/1312651683.db2.gz WKYUSJHFVAUGEN-QGZVFWFLSA-N 1 0 334.423 2.884 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222905 1312651698 /nfs/dbraw/zinc/65/16/98/1312651698.db2.gz IKNFWZXRHPEOCU-KRWDZBQOSA-N 1 0 334.423 2.836 20 5 EFBDRO O=C1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]2CCCN12 ZINC001232229018 1312653051 /nfs/dbraw/zinc/65/30/51/1312653051.db2.gz XLDWYNNFBYJUFW-GOSISDBHSA-N 1 0 346.434 2.980 20 5 EFBDRO CNC(=O)NC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232229052 1312654120 /nfs/dbraw/zinc/65/41/20/1312654120.db2.gz YOFTYCUMOIPFKJ-UHFFFAOYSA-N 1 0 349.438 2.676 20 5 EFBDRO COCc1nn(-c2ccc3ccc4cccnc4c3n2)c2c1C[NH2+]C2 ZINC001165632555 1312655797 /nfs/dbraw/zinc/65/57/97/1312655797.db2.gz RZFNBORQADRXKJ-UHFFFAOYSA-N 1 0 331.379 2.718 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cn2)CC1 ZINC001211190610 1314450107 /nfs/dbraw/zinc/45/01/07/1314450107.db2.gz VSUKHDHPKFUSSZ-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211190637 1314450514 /nfs/dbraw/zinc/45/05/14/1314450514.db2.gz XDIIGUPZWTZPCL-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC001019939110 1314543237 /nfs/dbraw/zinc/54/32/37/1314543237.db2.gz QDNGJVGQARKJNA-HDJSIYSDSA-N 1 0 349.387 2.846 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001019981869 1314555346 /nfs/dbraw/zinc/55/53/46/1314555346.db2.gz TUONJGKMBSTJGV-JOCQHMNTSA-N 1 0 349.412 2.917 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)oc1C ZINC001020074029 1314600100 /nfs/dbraw/zinc/60/01/00/1314600100.db2.gz VGCNSLBYYYYOCS-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331321 1314611658 /nfs/dbraw/zinc/61/16/58/1314611658.db2.gz OJOZYAJJCWULPL-IAQYHMDHSA-N 1 0 339.411 2.651 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001020122718 1314619788 /nfs/dbraw/zinc/61/97/88/1314619788.db2.gz UQRCQFNYKMJGGH-SHTZXODSSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020122724 1314620116 /nfs/dbraw/zinc/62/01/16/1314620116.db2.gz VBXKPJKZTXITIY-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1sccc1F ZINC001020126543 1314622862 /nfs/dbraw/zinc/62/28/62/1314622862.db2.gz VRQQYDQWBAOJIY-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO N[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246572997 1314650650 /nfs/dbraw/zinc/65/06/50/1314650650.db2.gz VNWIKKJXXPAHSA-ZFWWWQNUSA-N 1 0 343.349 2.808 20 5 EFBDRO NC[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584678 1314652118 /nfs/dbraw/zinc/65/21/18/1314652118.db2.gz YIEBAFKDIUDIES-WMZOPIPTSA-N 1 0 335.423 2.995 20 5 EFBDRO N[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246603488 1314655871 /nfs/dbraw/zinc/65/58/71/1314655871.db2.gz YUJZAXMPNCWMAQ-ZFWWWQNUSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611722 1314657243 /nfs/dbraw/zinc/65/72/43/1314657243.db2.gz VKWPQLYDUATUPN-KDOFPFPSSA-N 1 0 333.432 2.610 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@H]1c1ccc(F)cc1)C2 ZINC001246889247 1314703834 /nfs/dbraw/zinc/70/38/34/1314703834.db2.gz WJYAAQMGQBUGBQ-RTBURBONSA-N 1 0 341.386 2.848 20 5 EFBDRO CCCC[C@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001246903971 1314707059 /nfs/dbraw/zinc/70/70/59/1314707059.db2.gz RUVJUKDSVGIPDN-ZBFHGGJFSA-N 1 0 335.448 2.998 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918817 1314707530 /nfs/dbraw/zinc/70/75/30/1314707530.db2.gz MEAAEHGVBNQTPL-CORIIIEPSA-N 1 0 339.411 2.875 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918821 1314707725 /nfs/dbraw/zinc/70/77/25/1314707725.db2.gz MEAAEHGVBNQTPL-LNSITVRQSA-N 1 0 339.411 2.875 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246940248 1314711208 /nfs/dbraw/zinc/71/12/08/1314711208.db2.gz TZUACUAHRQGQGQ-HYVNUMGLSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246939981 1314711407 /nfs/dbraw/zinc/71/14/07/1314711407.db2.gz WIJGHCHUAFVWNA-NJAFHUGGSA-N 1 0 335.423 2.825 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020304163 1314722364 /nfs/dbraw/zinc/72/23/64/1314722364.db2.gz PFFVASCBCHJDGL-QAQDUYKDSA-N 1 0 339.395 2.574 20 5 EFBDRO COCCCN([C@@H]1CC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246979783 1314722952 /nfs/dbraw/zinc/72/29/52/1314722952.db2.gz PPZDYSVEFNKQEL-PKOBYXMFSA-N 1 0 347.459 2.543 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH2+]C[C@H]1C(F)(F)F)CC2 ZINC001246985363 1314723925 /nfs/dbraw/zinc/72/39/25/1314723925.db2.gz BLFVNDQWHOTSAD-HIFRSBDPSA-N 1 0 343.349 2.678 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)NCCc2ccccc23)C1 ZINC001247004743 1314729275 /nfs/dbraw/zinc/72/92/75/1314729275.db2.gz NZCAXCOEROYXCM-NVXWUHKLSA-N 1 0 329.444 2.569 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc[nH+]c(N3CCOCC3)c2)c1F ZINC001215289708 1314809752 /nfs/dbraw/zinc/80/97/52/1314809752.db2.gz PFIBTULSPMVUHU-UHFFFAOYSA-N 1 0 336.298 2.848 20 5 EFBDRO Cc1c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cccc1[N+](=O)[O-] ZINC001215367876 1314825473 /nfs/dbraw/zinc/82/54/73/1314825473.db2.gz HDNQTRNQSZUKKV-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO F[C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]C1 ZINC001247804464 1314843751 /nfs/dbraw/zinc/84/37/51/1314843751.db2.gz DHMLKWJWUWALHF-GOSISDBHSA-N 1 0 335.342 2.991 20 5 EFBDRO COc1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001248466351 1314937035 /nfs/dbraw/zinc/93/70/35/1314937035.db2.gz PSSOLAOSPJNBRI-UHFFFAOYSA-N 1 0 331.376 2.810 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001318330084 1328556331 /nfs/dbraw/zinc/55/63/31/1328556331.db2.gz AQDDZAJVUOZIQJ-YFHOEESVSA-N 1 0 331.416 2.941 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216481982 1314961166 /nfs/dbraw/zinc/96/11/66/1314961166.db2.gz NSJHAUDLQKFULC-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO Cc1cccc([C@@H]([NH3+])Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001249257594 1315040040 /nfs/dbraw/zinc/04/00/40/1315040040.db2.gz TWDNOOWFXLKQKU-LBPRGKRZSA-N 1 0 343.318 2.730 20 5 EFBDRO Cc1cc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC001249279319 1315044459 /nfs/dbraw/zinc/04/44/59/1315044459.db2.gz YSKHIHFWZHXEKU-CQSZACIVSA-N 1 0 325.328 2.591 20 5 EFBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1F ZINC001249336068 1315056222 /nfs/dbraw/zinc/05/62/22/1315056222.db2.gz AQTIIUFKIZGJJU-LLVKDONJSA-N 1 0 347.281 2.561 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217946392 1315123367 /nfs/dbraw/zinc/12/33/67/1315123367.db2.gz FPCOUMVQJWYRDT-NWDGAFQWSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217948757 1315123574 /nfs/dbraw/zinc/12/35/74/1315123574.db2.gz VFMYMOGZXRUVOW-WDEREUQCSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217948764 1315123995 /nfs/dbraw/zinc/12/39/95/1315123995.db2.gz VHAHLTCNESYDIV-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1cc(O[C@H]2C[NH2+]CC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217961314 1315126152 /nfs/dbraw/zinc/12/61/52/1315126152.db2.gz KHJHGXVXORZIBP-CABZTGNLSA-N 1 0 333.157 2.745 20 5 EFBDRO Cc1nc(O[C@@H]2CCCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001217970323 1315127285 /nfs/dbraw/zinc/12/72/85/1315127285.db2.gz KSSZRNUFIAXHGW-SECBINFHSA-N 1 0 330.182 2.582 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217977626 1315128390 /nfs/dbraw/zinc/12/83/90/1315128390.db2.gz NWLDXWCLGZPHOE-ZWNOBZJWSA-N 1 0 340.742 2.660 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@H]3C[NH2+]CCC[C@@H]3F)[nH]c2cc1Cl ZINC001217981120 1315129197 /nfs/dbraw/zinc/12/91/97/1315129197.db2.gz OLCITZHKTLFKBW-UFBFGSQYSA-N 1 0 328.731 2.593 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001217993505 1315130406 /nfs/dbraw/zinc/13/04/06/1315130406.db2.gz RVNQYBDRRMIUGM-KCJUWKMLSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218016936 1315134923 /nfs/dbraw/zinc/13/49/23/1315134923.db2.gz RDJQBOPSSKWCOH-KOLCDFICSA-N 1 0 338.257 2.962 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218043834 1315138156 /nfs/dbraw/zinc/13/81/56/1315138156.db2.gz MXISAKSTEZSFLW-RDDDGLTNSA-N 1 0 333.157 2.873 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218046692 1315138961 /nfs/dbraw/zinc/13/89/61/1315138961.db2.gz YHKMONZAHDZTNA-RDDDGLTNSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)cc1 ZINC001218083090 1315145590 /nfs/dbraw/zinc/14/55/90/1315145590.db2.gz WJDNEDAFLOCGHR-KFKAGJAMSA-N 1 0 340.379 2.875 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)c1 ZINC001218083896 1315146292 /nfs/dbraw/zinc/14/62/92/1315146292.db2.gz DMFAIKUBZYGFLQ-KFKAGJAMSA-N 1 0 340.379 2.875 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218088573 1315146557 /nfs/dbraw/zinc/14/65/57/1315146557.db2.gz BEOXEFVHZDPOTG-NVXWUHKLSA-N 1 0 334.372 2.601 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218098431 1315147337 /nfs/dbraw/zinc/14/73/37/1315147337.db2.gz XXVIAKWXQQEUIC-WBVHZDCISA-N 1 0 334.372 2.683 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218119774 1315151577 /nfs/dbraw/zinc/15/15/77/1315151577.db2.gz YMHILZHUHIZQIM-STQMWFEESA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218182674 1315161153 /nfs/dbraw/zinc/16/11/53/1315161153.db2.gz DCSDXESOQBTIMC-VIFPVBQESA-N 1 0 327.262 2.903 20 5 EFBDRO C[C@@H](Oc1ccc(CC[NH3+])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216268 1315165568 /nfs/dbraw/zinc/16/55/68/1315165568.db2.gz XQSLSXKOGISAPV-LLVKDONJSA-N 1 0 330.340 2.965 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC12C[NH2+]C2 ZINC001218242573 1315170439 /nfs/dbraw/zinc/17/04/39/1315170439.db2.gz RNGZFTZCCANQMA-NSHDSACASA-N 1 0 327.178 2.797 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000749153378 1315171071 /nfs/dbraw/zinc/17/10/71/1315171071.db2.gz NCCDJSPCNJGOIQ-UHFFFAOYSA-N 1 0 347.346 2.813 20 5 EFBDRO O=c1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218308383 1315177038 /nfs/dbraw/zinc/17/70/38/1315177038.db2.gz YMALFWQPAVSDAR-LBPRGKRZSA-N 1 0 329.356 2.902 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1C=CC[NH2+]C1)CCC2 ZINC001218334078 1315180975 /nfs/dbraw/zinc/18/09/75/1315180975.db2.gz LBLJPGQPOSVDSO-JTQLQIEISA-N 1 0 339.189 2.753 20 5 EFBDRO COc1cc(Br)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218393158 1315188672 /nfs/dbraw/zinc/18/86/72/1315188672.db2.gz NHNLEIFLKDDXLY-BDAKNGLRSA-N 1 0 345.193 2.885 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000749154023 1315193420 /nfs/dbraw/zinc/19/34/20/1315193420.db2.gz HASOWKSLBDERCE-UHFFFAOYSA-N 1 0 331.347 2.977 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442716 1315195878 /nfs/dbraw/zinc/19/58/78/1315195878.db2.gz RYUMWYYOFJKKIT-AKGNYGMASA-N 1 0 331.141 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218447601 1315196892 /nfs/dbraw/zinc/19/68/92/1315196892.db2.gz KAOZIYSATNSVOZ-SNVBAGLBSA-N 1 0 342.220 2.869 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC2(F)F)c1Br ZINC001218448480 1315197161 /nfs/dbraw/zinc/19/71/61/1315197161.db2.gz NCPFIMXEWKFFEM-SECBINFHSA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC001218447881 1315197207 /nfs/dbraw/zinc/19/72/07/1315197207.db2.gz KAUBXNVUQLXJCP-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001218449893 1315198208 /nfs/dbraw/zinc/19/82/08/1315198208.db2.gz WYCKXPFFSHYVCY-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218467657 1315201134 /nfs/dbraw/zinc/20/11/34/1315201134.db2.gz QAXQQJFOOOFALX-JLJPHGGASA-N 1 0 331.416 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(Br)c1 ZINC001218473871 1315201602 /nfs/dbraw/zinc/20/16/02/1315201602.db2.gz SERLOHIJKMRALH-UBHAPETDSA-N 1 0 327.178 2.734 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218488357 1315203866 /nfs/dbraw/zinc/20/38/66/1315203866.db2.gz FDPHHLKYHXWPBP-MKPLZMMCSA-N 1 0 327.178 2.795 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218491308 1315204698 /nfs/dbraw/zinc/20/46/98/1315204698.db2.gz WJDMOWPVTPVKQH-HNNXBMFYSA-N 1 0 342.351 2.913 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001318391980 1328573431 /nfs/dbraw/zinc/57/34/31/1328573431.db2.gz YZFLTDXTLZTVOZ-OCCSQVGLSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218858027 1315251623 /nfs/dbraw/zinc/25/16/23/1315251623.db2.gz UKHZMTUPIUCOHM-ADLMAVQZSA-N 1 0 335.411 2.692 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C=C1CC[NH2+]CC1 ZINC001218859106 1315251796 /nfs/dbraw/zinc/25/17/96/1315251796.db2.gz JKSWOJQWIVBGOE-UHFFFAOYSA-N 1 0 333.395 2.614 20 5 EFBDRO Nc1ccc2n(C(=O)C[C@H]3CCC[NH2+]C3)c3ccccc3cc-2c1=O ZINC001219255481 1315294714 /nfs/dbraw/zinc/29/47/14/1315294714.db2.gz BEHBFHJBCXWIRE-CYBMUJFWSA-N 1 0 335.407 2.718 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219254333 1315294969 /nfs/dbraw/zinc/29/49/69/1315294969.db2.gz YCRQMWXPOHRYFY-GXTWGEPZSA-N 1 0 335.407 2.717 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318408477 1328578766 /nfs/dbraw/zinc/57/87/66/1328578766.db2.gz RMTXORPEYMAKFH-GXTWGEPZSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001219666642 1315333936 /nfs/dbraw/zinc/33/39/36/1315333936.db2.gz LQNUOOGDZXIFLE-KBPBESRZSA-N 1 0 334.423 2.758 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001318404816 1328576647 /nfs/dbraw/zinc/57/66/47/1328576647.db2.gz WLYZLUWPBOJETC-STQMWFEESA-N 1 0 325.796 2.851 20 5 EFBDRO COC[C@@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001252824776 1315511340 /nfs/dbraw/zinc/51/13/40/1315511340.db2.gz NSTJSLREYZKHOT-ZDUSSCGKSA-N 1 0 349.390 2.984 20 5 EFBDRO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001253279573 1315588559 /nfs/dbraw/zinc/58/85/59/1315588559.db2.gz HZLZBJLTDOYJPO-ZBFHGGJFSA-N 1 0 343.427 2.996 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001253279572 1315588746 /nfs/dbraw/zinc/58/87/46/1315588746.db2.gz HZLZBJLTDOYJPO-HOCLYGCPSA-N 1 0 343.427 2.996 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC001254104034 1315673257 /nfs/dbraw/zinc/67/32/57/1315673257.db2.gz CEKLKNMMFTXVAB-NSHDSACASA-N 1 0 330.388 2.818 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)nc3)CC2)cc1 ZINC001254470003 1315706776 /nfs/dbraw/zinc/70/67/76/1315706776.db2.gz LTLVNWXPRHHKSQ-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccn3)CC2)cc1 ZINC001254468015 1315707033 /nfs/dbraw/zinc/70/70/33/1315707033.db2.gz HEOJROSWPHIMCE-UHFFFAOYSA-N 1 0 342.399 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccncc3F)CC2)cc1 ZINC001254465587 1315707213 /nfs/dbraw/zinc/70/72/13/1315707213.db2.gz FRKSMJLVJWEGRH-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254473862 1315707296 /nfs/dbraw/zinc/70/72/96/1315707296.db2.gz IUSRNMAAPOXTMG-CALCHBBNSA-N 1 0 329.400 2.760 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1=O ZINC001254476410 1315707367 /nfs/dbraw/zinc/70/73/67/1315707367.db2.gz QUNLWFIXCINANR-CQSZACIVSA-N 1 0 331.416 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@]34CCCOC4)CC2)cc1 ZINC001254472600 1315707487 /nfs/dbraw/zinc/70/74/87/1315707487.db2.gz FZNUHEWNVHEBPD-ROUUACIJSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@]1(O)CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475141 1315707609 /nfs/dbraw/zinc/70/76/09/1315707609.db2.gz ATKFVYBKPYMOBO-SFHVURJKSA-N 1 0 333.432 2.801 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1=O ZINC001254476409 1315707641 /nfs/dbraw/zinc/70/76/41/1315707641.db2.gz QUNLWFIXCINANR-AWEZNQCLSA-N 1 0 331.416 2.865 20 5 EFBDRO CN1C[C@H]2CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]2C1 ZINC001254479917 1315708189 /nfs/dbraw/zinc/70/81/89/1315708189.db2.gz QBMRHWDTWXBGPZ-BEFAXECRSA-N 1 0 344.459 2.590 20 5 EFBDRO CC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479965 1315708221 /nfs/dbraw/zinc/70/82/21/1315708221.db2.gz SAOSPQDPAWUOEB-HNNXBMFYSA-N 1 0 331.416 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC001254478964 1315708461 /nfs/dbraw/zinc/70/84/61/1315708461.db2.gz MKODPDUTWSBPKT-LJQANCHMSA-N 1 0 344.459 2.734 20 5 EFBDRO C[NH2+]CCN(C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001254481285 1315709015 /nfs/dbraw/zinc/70/90/15/1315709015.db2.gz ADCYTYXRMZBGQO-UHFFFAOYSA-N 1 0 334.464 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001254480880 1315709038 /nfs/dbraw/zinc/70/90/38/1315709038.db2.gz NQWLRGWGJLYCBQ-KSSFIOAISA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001254536641 1315721186 /nfs/dbraw/zinc/72/11/86/1315721186.db2.gz RJKRURABHJJPRY-PWSUYJOCSA-N 1 0 332.429 2.557 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001254535817 1315721283 /nfs/dbraw/zinc/72/12/83/1315721283.db2.gz LPNPPPKBDWDDCO-WBMJQRKESA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001254535814 1315721371 /nfs/dbraw/zinc/72/13/71/1315721371.db2.gz LPNPPPKBDWDDCO-BLLLJJGKSA-N 1 0 325.368 2.679 20 5 EFBDRO CCOC(=O)c1ccnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537713 1315721448 /nfs/dbraw/zinc/72/14/48/1315721448.db2.gz GSFARLFTPXAUMY-CYBMUJFWSA-N 1 0 343.383 2.887 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1c2ccccc2OC[C@H]1C[NH3+] ZINC001254539270 1315721534 /nfs/dbraw/zinc/72/15/34/1315721534.db2.gz CJEBOYZVXVWDHD-UKRRQHHQSA-N 1 0 327.384 2.752 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001254545070 1315721882 /nfs/dbraw/zinc/72/18/82/1315721882.db2.gz ADHPVEVBVJXCIF-WMLDXEAASA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)Oc1nccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254543192 1315721924 /nfs/dbraw/zinc/72/19/24/1315721924.db2.gz CLRUFAFEWRDENW-CYBMUJFWSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC001254548488 1315722123 /nfs/dbraw/zinc/72/21/23/1315722123.db2.gz MQTMKZUVXHTKHB-QAPCUYQASA-N 1 0 340.427 2.785 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548817 1315722131 /nfs/dbraw/zinc/72/21/31/1315722131.db2.gz MKYLNNAFPJBRDA-XJKSGUPXSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001254547003 1315722195 /nfs/dbraw/zinc/72/21/95/1315722195.db2.gz BLWMWVVKJQVKMM-KDOFPFPSSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001254547015 1315722269 /nfs/dbraw/zinc/72/22/69/1315722269.db2.gz BTNRLZJXOCUCPR-ZDUSSCGKSA-N 1 0 342.399 2.894 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001254549369 1315722284 /nfs/dbraw/zinc/72/22/84/1315722284.db2.gz SQTLVVCAUUGNBQ-GFCCVEGCSA-N 1 0 325.368 2.810 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(F)(F)CC1 ZINC001254549116 1315722370 /nfs/dbraw/zinc/72/23/70/1315722370.db2.gz RTOVXCRVOCKSEW-ZDUSSCGKSA-N 1 0 327.375 2.847 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])(CC1)C2 ZINC001254549857 1315722614 /nfs/dbraw/zinc/72/26/14/1315722614.db2.gz XTZGISWCNUEMCZ-NLNFPOJYSA-N 1 0 332.400 2.991 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001254554703 1315722715 /nfs/dbraw/zinc/72/27/15/1315722715.db2.gz DJQJFEIBYQEOAT-GOEBONIOSA-N 1 0 345.443 2.716 20 5 EFBDRO CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC001254559387 1315723489 /nfs/dbraw/zinc/72/34/89/1315723489.db2.gz XIQMEMFBGVLIEW-KXBFYZLASA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001254556395 1315723706 /nfs/dbraw/zinc/72/37/06/1315723706.db2.gz KUBBTZNQEFZRMW-CQSZACIVSA-N 1 0 331.416 2.661 20 5 EFBDRO CCO[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001254561174 1315723992 /nfs/dbraw/zinc/72/39/92/1315723992.db2.gz JQYGTSQPXAEDBQ-PILAGYSTSA-N 1 0 334.416 2.794 20 5 EFBDRO COc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC001254567527 1315724512 /nfs/dbraw/zinc/72/45/12/1315724512.db2.gz PCJJHGQEUMPOHG-HNNXBMFYSA-N 1 0 328.368 2.869 20 5 EFBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568437 1315724641 /nfs/dbraw/zinc/72/46/41/1315724641.db2.gz FZEHAUOHPDYNRX-BBRMVZONSA-N 1 0 342.399 2.778 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)(CC1)CC2 ZINC001254564916 1315724693 /nfs/dbraw/zinc/72/46/93/1315724693.db2.gz BNZWSMRKJWZQOH-MNNVXMFVSA-N 1 0 344.411 2.918 20 5 EFBDRO COc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC001254565320 1315724887 /nfs/dbraw/zinc/72/48/87/1315724887.db2.gz DGYUWGUOUDOHCL-HNNXBMFYSA-N 1 0 328.368 2.869 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566280 1315724976 /nfs/dbraw/zinc/72/49/76/1315724976.db2.gz JEMKZLLUEBKMFJ-CABCVRRESA-N 1 0 347.415 2.661 20 5 EFBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568443 1315725295 /nfs/dbraw/zinc/72/52/95/1315725295.db2.gz FZEHAUOHPDYNRX-XJKSGUPXSA-N 1 0 342.399 2.778 20 5 EFBDRO CC[NH+](CC)C[C@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254570688 1315725367 /nfs/dbraw/zinc/72/53/67/1315725367.db2.gz POFKHNFQSOXIPK-RDJZCZTQSA-N 1 0 335.448 2.568 20 5 EFBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570583 1315725476 /nfs/dbraw/zinc/72/54/76/1315725476.db2.gz OFTOCLGHKCQQEM-GOEBONIOSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC001254570034 1315725574 /nfs/dbraw/zinc/72/55/74/1315725574.db2.gz MEIOIMPOJQWQAJ-GDBMZVCRSA-N 1 0 326.400 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc3c(c1)OCO3)C2 ZINC001254569502 1315725643 /nfs/dbraw/zinc/72/56/43/1315725643.db2.gz YUZUKUZPITVMJW-HNNXBMFYSA-N 1 0 326.352 2.623 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001254569117 1315725688 /nfs/dbraw/zinc/72/56/88/1315725688.db2.gz ICZOFAHNMQDMOP-WMLDXEAASA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001254570570 1315725700 /nfs/dbraw/zinc/72/57/00/1315725700.db2.gz NYOAJHQVAWHVLQ-GDBMZVCRSA-N 1 0 342.399 2.859 20 5 EFBDRO COc1cccc([C@H](CCO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572698 1315725857 /nfs/dbraw/zinc/72/58/57/1315725857.db2.gz RYZYNXHJYLVXMI-LPHOPBHVSA-N 1 0 342.395 2.784 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573475 1315725874 /nfs/dbraw/zinc/72/58/74/1315725874.db2.gz ABKAXOHTLVFADS-GDBMZVCRSA-N 1 0 347.415 2.661 20 5 EFBDRO COc1cccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC001254573060 1315725974 /nfs/dbraw/zinc/72/59/74/1315725974.db2.gz WEFCBXHPSVKZNR-INIZCTEOSA-N 1 0 342.395 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@]13C[C@H]4C[C@@H](C1)C[C@](O)(C4)C3)C2 ZINC001254573505 1315726035 /nfs/dbraw/zinc/72/60/35/1315726035.db2.gz AWGKODRVYMCYHX-VRPWAGJOSA-N 1 0 328.412 2.735 20 5 EFBDRO CN1C(=O)CCC12CCC([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254571920 1315726072 /nfs/dbraw/zinc/72/60/72/1315726072.db2.gz DCQYIBHTJJDDAC-KOHRHEQBSA-N 1 0 343.427 2.585 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580216 1315726337 /nfs/dbraw/zinc/72/63/37/1315726337.db2.gz BITUFJWZYFMCNI-AWEZNQCLSA-N 1 0 347.415 2.709 20 5 EFBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579396 1315726518 /nfs/dbraw/zinc/72/65/18/1315726518.db2.gz RLERZEISDXHAQI-DAXOMENPSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3c1OCCO3)C2 ZINC001254581513 1315726863 /nfs/dbraw/zinc/72/68/63/1315726863.db2.gz LKAVJPWWKGDXOU-OAHLLOKOSA-N 1 0 326.352 2.623 20 5 EFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580257 1315726872 /nfs/dbraw/zinc/72/68/72/1315726872.db2.gz CVKKGQJSGOJXEP-DOMZBBRYSA-N 1 0 349.431 2.955 20 5 EFBDRO CC(C)(F)c1ncncc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581128 1315726971 /nfs/dbraw/zinc/72/69/71/1315726971.db2.gz KVKHEQLOYXIGIP-CQSZACIVSA-N 1 0 330.363 2.846 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579812 1315727035 /nfs/dbraw/zinc/72/70/35/1315727035.db2.gz VNZIHPKOGJWSLY-RISCZKNCSA-N 1 0 335.404 2.565 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C2 ZINC001254581108 1315727183 /nfs/dbraw/zinc/72/71/83/1315727183.db2.gz KLIMYOSFVWRNFQ-QUCCMNQESA-N 1 0 337.423 2.926 20 5 EFBDRO COc1ccnc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254587936 1315727977 /nfs/dbraw/zinc/72/79/77/1315727977.db2.gz SJVHDUOKROCTAE-OAHLLOKOSA-N 1 0 339.395 2.787 20 5 EFBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588879 1315728327 /nfs/dbraw/zinc/72/83/27/1315728327.db2.gz JSLPSXYNFRVRFS-HYVNUMGLSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC001254589453 1315728639 /nfs/dbraw/zinc/72/86/39/1315728639.db2.gz PANVUXNFHVAANQ-DOTOQJQBSA-N 1 0 340.379 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001254589032 1315728674 /nfs/dbraw/zinc/72/86/74/1315728674.db2.gz LJFLTGXJKPMJPO-HOTGVXAUSA-N 1 0 348.349 2.533 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254590036 1315728686 /nfs/dbraw/zinc/72/86/86/1315728686.db2.gz SVWKAFMIVYANSK-CQSZACIVSA-N 1 0 347.415 2.709 20 5 EFBDRO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596433 1315728988 /nfs/dbraw/zinc/72/89/88/1315728988.db2.gz DVNUFELEOHQJQX-QGZVFWFLSA-N 1 0 340.379 2.965 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)C2 ZINC001254599320 1315729021 /nfs/dbraw/zinc/72/90/21/1315729021.db2.gz NUDBYLPIJJKAKH-LSDHHAIUSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)C2 ZINC001254599317 1315729122 /nfs/dbraw/zinc/72/91/22/1315729122.db2.gz NUDBYLPIJJKAKH-CABCVRRESA-N 1 0 344.333 2.841 20 5 EFBDRO CN(CC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254596424 1315729193 /nfs/dbraw/zinc/72/91/93/1315729193.db2.gz DNXJAKYJXBXIIJ-INIZCTEOSA-N 1 0 349.431 2.861 20 5 EFBDRO CC(C)c1nc(CC[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254593688 1315729258 /nfs/dbraw/zinc/72/92/58/1315729258.db2.gz NVFBINXAOUJNTA-OAHLLOKOSA-N 1 0 330.388 2.743 20 5 EFBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593685 1315729273 /nfs/dbraw/zinc/72/92/73/1315729273.db2.gz NUIYYZWTASXGKT-MRXNPFEDSA-N 1 0 347.415 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603853 1315729683 /nfs/dbraw/zinc/72/96/83/1315729683.db2.gz RDQDDSGIRWQQTN-AEFFLSMTSA-N 1 0 325.368 2.531 20 5 EFBDRO CC(=O)N1CCCC[C@@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254601025 1315729886 /nfs/dbraw/zinc/72/98/86/1315729886.db2.gz VHODWHPVPCMOSK-MOPGFXCFSA-N 1 0 343.427 2.539 20 5 EFBDRO Cc1ccnc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254603660 1315729965 /nfs/dbraw/zinc/72/99/65/1315729965.db2.gz PYYAMEXTXGZXNS-SFHVURJKSA-N 1 0 338.411 2.588 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@]1(O)C(F)(F)F ZINC001254599712 1315729970 /nfs/dbraw/zinc/72/99/70/1315729970.db2.gz PFKJDUCXZDGPCG-ONERCXAPSA-N 1 0 344.333 2.697 20 5 EFBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607223 1315730322 /nfs/dbraw/zinc/73/03/22/1315730322.db2.gz JMLICFRHOHZRKU-SJLPKXTDSA-N 1 0 332.400 2.727 20 5 EFBDRO Cc1nnc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)o1 ZINC001254605473 1315730460 /nfs/dbraw/zinc/73/04/60/1315730460.db2.gz AHFDUMQVOJSAAS-INIZCTEOSA-N 1 0 328.372 2.633 20 5 EFBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604986 1315730521 /nfs/dbraw/zinc/73/05/21/1315730521.db2.gz ZTDWMAJFOBXHEM-INIZCTEOSA-N 1 0 326.352 2.923 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(c3cccc(O)c3)CC1)C2 ZINC001254605497 1315730683 /nfs/dbraw/zinc/73/06/83/1315730683.db2.gz ALIORBVPCLSUPU-GOSISDBHSA-N 1 0 339.395 2.590 20 5 EFBDRO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606320 1315730701 /nfs/dbraw/zinc/73/07/01/1315730701.db2.gz GJHMHVARPKWLHX-ZWKOTPCHSA-N 1 0 339.395 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001254610218 1315730883 /nfs/dbraw/zinc/73/08/83/1315730883.db2.gz JGYVKKKZEOPIIC-SQNIBIBYSA-N 1 0 333.407 2.570 20 5 EFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)o1 ZINC001254609577 1315731012 /nfs/dbraw/zinc/73/10/12/1315731012.db2.gz XPCKFKVAPJHKJG-CJNGLKHVSA-N 1 0 328.372 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C1)C2 ZINC001254610561 1315731163 /nfs/dbraw/zinc/73/11/63/1315731163.db2.gz NMNBDFFDQPXVLR-GBESFXJTSA-N 1 0 347.434 2.960 20 5 EFBDRO CCCCOC(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611276 1315731207 /nfs/dbraw/zinc/73/12/07/1315731207.db2.gz OVYOKVZFMWYFIE-YOEHRIQHSA-N 1 0 332.400 2.727 20 5 EFBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611999 1315731765 /nfs/dbraw/zinc/73/17/65/1315731765.db2.gz UJXWBDZKRBPIBB-QGZVFWFLSA-N 1 0 332.400 2.870 20 5 EFBDRO Cc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612056 1315731784 /nfs/dbraw/zinc/73/17/84/1315731784.db2.gz USWGDGNGRAFCKW-MSOLQXFVSA-N 1 0 339.395 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCN(c3cccnc3)CC1)C2 ZINC001254612771 1315731803 /nfs/dbraw/zinc/73/18/03/1315731803.db2.gz YVGVLNQCZUAIPZ-LJQANCHMSA-N 1 0 338.411 2.669 20 5 EFBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611997 1315731927 /nfs/dbraw/zinc/73/19/27/1315731927.db2.gz UJXWBDZKRBPIBB-KRWDZBQOSA-N 1 0 332.400 2.870 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001255734673 1315862762 /nfs/dbraw/zinc/86/27/62/1315862762.db2.gz VZGCVJJWBMJTCC-VXGBXAGGSA-N 1 0 344.314 2.628 20 5 EFBDRO CCSCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084678 1315902747 /nfs/dbraw/zinc/90/27/47/1315902747.db2.gz FSOGSRUFGQMMAU-UHFFFAOYSA-N 1 0 339.461 2.915 20 5 EFBDRO COc1cc(N2CCC([NH2+]C3(C)CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256082171 1315902943 /nfs/dbraw/zinc/90/29/43/1315902943.db2.gz AAJUMZFTXLPYQI-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1cc(N2CCC(n3ccnc3[C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256083509 1315903190 /nfs/dbraw/zinc/90/31/90/1315903190.db2.gz QYYYMJUTXXLKQA-LBPRGKRZSA-N 1 0 345.403 2.661 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCOC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093676 1315903684 /nfs/dbraw/zinc/90/36/84/1315903684.db2.gz DXQSCGHMTYAXIN-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256094252 1315904141 /nfs/dbraw/zinc/90/41/41/1315904141.db2.gz WIYOGGYQPGUFFL-DOMZBBRYSA-N 1 0 337.395 2.862 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001256094585 1315904216 /nfs/dbraw/zinc/90/42/16/1315904216.db2.gz MGEKEWLLVUNHBH-GUYCJALGSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCC(=O)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094377 1315904229 /nfs/dbraw/zinc/90/42/29/1315904229.db2.gz YWQOQZNKDVPBIG-CYBMUJFWSA-N 1 0 347.415 2.626 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256103592 1315905018 /nfs/dbraw/zinc/90/50/18/1315905018.db2.gz NWBYZVCKUYKFLS-INIZCTEOSA-N 1 0 347.415 2.626 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001040700131 1316353974 /nfs/dbraw/zinc/35/39/74/1316353974.db2.gz JIDWPCCQBSDFHR-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001262038727 1316444840 /nfs/dbraw/zinc/44/48/40/1316444840.db2.gz XCVUPMYHSZQIGR-UHFFFAOYSA-N 1 0 347.318 2.773 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+]CCC12CCC2 ZINC001262042484 1316445128 /nfs/dbraw/zinc/44/51/28/1316445128.db2.gz NBHHRAYZEWWGFT-UHFFFAOYSA-N 1 0 329.356 2.699 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCSC1 ZINC001262061885 1316446995 /nfs/dbraw/zinc/44/69/95/1316446995.db2.gz LLGOYXJAQPKHAR-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3C[NH+]4CCC3CC4)c2c1 ZINC001262712531 1316483294 /nfs/dbraw/zinc/48/32/94/1316483294.db2.gz IBPZRLXVOXCHBI-ZDUSSCGKSA-N 1 0 333.779 2.698 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319443568 1328887331 /nfs/dbraw/zinc/88/73/31/1328887331.db2.gz QCAQQYLGBBHZIY-UHFFFAOYSA-N 1 0 333.432 2.815 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CCC[N@@H+]4CCC[C@H]4C3)c2c(Cl)c1 ZINC001319798049 1328992651 /nfs/dbraw/zinc/99/26/51/1328992651.db2.gz BXCGQUGNRFBGFX-ZDUSSCGKSA-N 1 0 349.822 2.726 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CN(C)Cc1ccccc1)CC2 ZINC001319796337 1328992935 /nfs/dbraw/zinc/99/29/35/1328992935.db2.gz ONKUYQFQMZSYLV-UHFFFAOYSA-N 1 0 339.395 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC001319996498 1329052364 /nfs/dbraw/zinc/05/23/64/1329052364.db2.gz VMAVFCCUJXJLFO-GOSISDBHSA-N 1 0 341.415 2.586 20 5 EFBDRO C[C@H](C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320125013 1329090517 /nfs/dbraw/zinc/09/05/17/1329090517.db2.gz PMNOYJSDPOPUQX-LBPRGKRZSA-N 1 0 337.395 2.780 20 5 EFBDRO Cc1ccnc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001307209500 1324750415 /nfs/dbraw/zinc/75/04/15/1324750415.db2.gz CQAVUNXEAMJFGV-GJZGRUSLSA-N 1 0 334.420 2.601 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001320749227 1329182763 /nfs/dbraw/zinc/18/27/63/1329182763.db2.gz LEKJWXPQMBWEHJ-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C[C@H]3CCCO3)CC1)CCN2 ZINC001321176168 1329353091 /nfs/dbraw/zinc/35/30/91/1329353091.db2.gz FGAPWOFPXAKOIX-CQSZACIVSA-N 1 0 346.431 2.618 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001321283218 1329367973 /nfs/dbraw/zinc/36/79/73/1329367973.db2.gz RZUTWBHVQWSGDI-HOCLYGCPSA-N 1 0 336.432 2.979 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001321652798 1329401338 /nfs/dbraw/zinc/40/13/38/1329401338.db2.gz DXBZILCZEUXHFL-QGZVFWFLSA-N 1 0 339.395 2.989 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001318024299 1328477162 /nfs/dbraw/zinc/47/71/62/1328477162.db2.gz MLCGMFXLRMOROC-SCLBCKFNSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC001322470948 1329460963 /nfs/dbraw/zinc/46/09/63/1329460963.db2.gz YBDHYQQAQMBAQI-UHFFFAOYSA-N 1 0 326.400 2.580 20 5 EFBDRO CCC[C@H]([NH2+]CCN1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC001322869314 1329496065 /nfs/dbraw/zinc/49/60/65/1329496065.db2.gz OGRRUZOHXNWLTN-SFHVURJKSA-N 1 0 335.448 2.730 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001323705025 1329562953 /nfs/dbraw/zinc/56/29/53/1329562953.db2.gz KKJPAAZNVCQWBW-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001323989706 1329589618 /nfs/dbraw/zinc/58/96/18/1329589618.db2.gz DLLUAUPETOUIOZ-KBPBESRZSA-N 1 0 329.404 2.566 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001324567128 1329640763 /nfs/dbraw/zinc/64/07/63/1329640763.db2.gz UTECKEBNCRNLBU-JSGCOSHPSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001326076739 1329732511 /nfs/dbraw/zinc/73/25/11/1329732511.db2.gz VOVQNHPNVIVZKB-CQSZACIVSA-N 1 0 348.447 2.559 20 5 EFBDRO CC(C)(C(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001326347127 1329749035 /nfs/dbraw/zinc/74/90/35/1329749035.db2.gz YJBASPNRPDSQBU-UHFFFAOYSA-N 1 0 345.443 2.865 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CC[C@@](O)(C3CC3)C2)c1Br ZINC001327320255 1330459244 /nfs/dbraw/zinc/45/92/44/1330459244.db2.gz JPSQJWSPJUEIDF-AWEZNQCLSA-N 1 0 341.205 2.704 20 5 EFBDRO Cc1c(CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC001327482697 1330485288 /nfs/dbraw/zinc/48/52/88/1330485288.db2.gz WXWRHKSTVULVHF-UHFFFAOYSA-N 1 0 346.431 2.578 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327666328 1330506443 /nfs/dbraw/zinc/50/64/43/1330506443.db2.gz QKPRZZJIDFVFTK-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327674460 1330507359 /nfs/dbraw/zinc/50/73/59/1330507359.db2.gz NRRKJGOFWFUZBG-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327674463 1330507378 /nfs/dbraw/zinc/50/73/78/1330507378.db2.gz NRRKJGOFWFUZBG-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001327679034 1330507757 /nfs/dbraw/zinc/50/77/57/1330507757.db2.gz ARIAWBNCSZSSPU-RHSMWYFYSA-N 1 0 334.416 2.597 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328555917 1330602512 /nfs/dbraw/zinc/60/25/12/1330602512.db2.gz FYZGMHPCMHEJLC-UWVGGRQHSA-N 1 0 335.795 2.720 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC001328882623 1330643167 /nfs/dbraw/zinc/64/31/67/1330643167.db2.gz AYAFGSYUPKUNJN-MOPGFXCFSA-N 1 0 342.395 2.612 20 5 EFBDRO C[NH+]1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001329288281 1330690342 /nfs/dbraw/zinc/69/03/42/1330690342.db2.gz WUAGVUFKIARGOS-UHFFFAOYSA-N 1 0 342.390 2.970 20 5 EFBDRO [NH3+]CCC1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001329733998 1330731447 /nfs/dbraw/zinc/73/14/47/1330731447.db2.gz KJAUDHCVBQSTKZ-UHFFFAOYSA-N 1 0 335.795 2.757 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001329897427 1330747749 /nfs/dbraw/zinc/74/77/49/1330747749.db2.gz DSBXXKZXYCEFSN-UHFFFAOYSA-N 1 0 339.395 2.855 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])c3ccccc32)cn1 ZINC001331079788 1330792359 /nfs/dbraw/zinc/79/23/59/1330792359.db2.gz AOHHPCTWTWKTFA-UHFFFAOYSA-N 1 0 326.360 2.645 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331384966 1330830958 /nfs/dbraw/zinc/83/09/58/1330830958.db2.gz QTCOATFBYSPNLF-RYUDHWBXSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C12CCC[NH+]1CCC2 ZINC001332557133 1330984986 /nfs/dbraw/zinc/98/49/86/1330984986.db2.gz JUGIXCZXZLWZSF-UHFFFAOYSA-N 1 0 326.356 2.710 20 5 EFBDRO COc1ccccc1C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCC1 ZINC001333022887 1331068171 /nfs/dbraw/zinc/06/81/71/1331068171.db2.gz PJVUSFDGGXUNMT-UHFFFAOYSA-N 1 0 330.388 2.777 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671109 1331191430 /nfs/dbraw/zinc/19/14/30/1331191430.db2.gz OLLIKWJHZYCIKF-ZDUSSCGKSA-N 1 0 337.420 2.519 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)cc1 ZINC001333671735 1331191452 /nfs/dbraw/zinc/19/14/52/1331191452.db2.gz NPAVCCIIJMZUFU-UHFFFAOYSA-N 1 0 341.415 2.593 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001333679676 1331193539 /nfs/dbraw/zinc/19/35/39/1331193539.db2.gz IMMVKBNXMUXSEM-YVEFUNNKSA-N 1 0 346.387 2.956 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001333770101 1331211391 /nfs/dbraw/zinc/21/13/91/1331211391.db2.gz GYJGXTTYNOUFEO-VVLHAWIVSA-N 1 0 331.416 2.687 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001334169006 1331259667 /nfs/dbraw/zinc/25/96/67/1331259667.db2.gz DKWGAVBMBCXRGR-AWEZNQCLSA-N 1 0 348.447 2.646 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCN2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397535 1331342714 /nfs/dbraw/zinc/34/27/14/1331342714.db2.gz OXZNFZABXFARJS-GOEBONIOSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001335396751 1331343087 /nfs/dbraw/zinc/34/30/87/1331343087.db2.gz ICNTZRDBNKYRQP-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO CCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001335420839 1331345037 /nfs/dbraw/zinc/34/50/37/1331345037.db2.gz IZXMVKLSRJUTHP-UHFFFAOYSA-N 1 0 326.418 2.538 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001335530086 1331368279 /nfs/dbraw/zinc/36/82/79/1331368279.db2.gz LHNSDFGTCGNPGO-SUMWQHHRSA-N 1 0 332.404 2.502 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001335530080 1331368378 /nfs/dbraw/zinc/36/83/78/1331368378.db2.gz LHNSDFGTCGNPGO-CXAGYDPISA-N 1 0 332.404 2.502 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC001335542824 1331370654 /nfs/dbraw/zinc/37/06/54/1331370654.db2.gz JCDWRINYLWMDKD-UHFFFAOYSA-N 1 0 334.326 2.985 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001335686470 1331390684 /nfs/dbraw/zinc/39/06/84/1331390684.db2.gz CHRXZHXAJQDGSY-ZFWWWQNUSA-N 1 0 334.420 2.796 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCCC3CC3)c2)CC1 ZINC001337580173 1331586246 /nfs/dbraw/zinc/58/62/46/1331586246.db2.gz MPTFKIDERUZGEB-UHFFFAOYSA-N 1 0 346.431 2.865 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001337707554 1331594009 /nfs/dbraw/zinc/59/40/09/1331594009.db2.gz LONMATUIPJJPHE-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001337874181 1331607241 /nfs/dbraw/zinc/60/72/41/1331607241.db2.gz SRLOARKWWLXIQD-UHFFFAOYSA-N 1 0 339.307 2.591 20 5 EFBDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001338408239 1331705252 /nfs/dbraw/zinc/70/52/52/1331705252.db2.gz MZAXVQCEECGPKN-OAHLLOKOSA-N 1 0 348.424 2.846 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001338571069 1331717354 /nfs/dbraw/zinc/71/73/54/1331717354.db2.gz OTLIJYBPRWQPOH-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338823649 1331741805 /nfs/dbraw/zinc/74/18/05/1331741805.db2.gz HBNLQNSEGSBJQW-SWLSCSKDSA-N 1 0 332.404 2.764 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001338825793 1331742183 /nfs/dbraw/zinc/74/21/83/1331742183.db2.gz WVMLOSQCASGQJA-OCCSQVGLSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@H](C)[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066046 1331781739 /nfs/dbraw/zinc/78/17/39/1331781739.db2.gz OABPJEYPXODFAW-KBPBESRZSA-N 1 0 348.447 2.967 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001339608439 1331911640 /nfs/dbraw/zinc/91/16/40/1331911640.db2.gz BEXKIHNNONVDMX-MLGOLLRUSA-N 1 0 346.431 2.628 20 5 EFBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001339652173 1331921054 /nfs/dbraw/zinc/92/10/54/1331921054.db2.gz KLTXPSLXEIEPKJ-LLVKDONJSA-N 1 0 340.763 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001339824345 1332104668 /nfs/dbraw/zinc/10/46/68/1332104668.db2.gz OTBPKRZXDZOXPO-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340209368 1332154588 /nfs/dbraw/zinc/15/45/88/1332154588.db2.gz KEIDNYIXAFSMDT-SJORKVTESA-N 1 0 346.431 2.535 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340248492 1332160996 /nfs/dbraw/zinc/16/09/96/1332160996.db2.gz ISRKTTIBAMTZFS-QGEPZTFVSA-N 1 0 329.400 2.569 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340248490 1332161047 /nfs/dbraw/zinc/16/10/47/1332161047.db2.gz ISRKTTIBAMTZFS-KGJWKZNZSA-N 1 0 329.400 2.569 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341064475 1332231036 /nfs/dbraw/zinc/23/10/36/1332231036.db2.gz PVJZHRZWHOUFLW-UHFFFAOYSA-N 1 0 340.383 2.697 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001341305333 1332249820 /nfs/dbraw/zinc/24/98/20/1332249820.db2.gz CWWKVCNGNZNQRE-SMDDNHRTSA-N 1 0 337.445 2.906 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001341305330 1332250269 /nfs/dbraw/zinc/25/02/69/1332250269.db2.gz CWWKVCNGNZNQRE-BXUZGUMPSA-N 1 0 337.445 2.906 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341530807 1332265905 /nfs/dbraw/zinc/26/59/05/1332265905.db2.gz YDBXSITZHCNPGR-ZSBIGDGJSA-N 1 0 335.429 2.577 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC001342154405 1332310960 /nfs/dbraw/zinc/31/09/60/1332310960.db2.gz FJOKBBZAKAQXDO-ZFVVBOAOSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943861 1332336835 /nfs/dbraw/zinc/33/68/35/1332336835.db2.gz MJLILWGZEDNURM-ACJLOTCBSA-N 1 0 339.395 2.702 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943862 1332336896 /nfs/dbraw/zinc/33/68/96/1332336896.db2.gz MJLILWGZEDNURM-FZKQIMNGSA-N 1 0 339.395 2.702 20 5 EFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c([N+](=O)[O-])c1 ZINC001344460944 1332455144 /nfs/dbraw/zinc/45/51/44/1332455144.db2.gz SJUVEYIDEXFQAX-UHFFFAOYSA-N 1 0 338.408 2.655 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001345741014 1332568854 /nfs/dbraw/zinc/56/88/54/1332568854.db2.gz DKJDPFKYFDZBQF-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001346094318 1332598430 /nfs/dbraw/zinc/59/84/30/1332598430.db2.gz IFNULRMEDFLYJL-GOEBONIOSA-N 1 0 326.400 2.653 20 5 EFBDRO C[C@@](O)(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001346250595 1332617985 /nfs/dbraw/zinc/61/79/85/1332617985.db2.gz GBSSJFNMJJSDRE-QZTJIDSGSA-N 1 0 330.384 2.516 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001346249715 1332618255 /nfs/dbraw/zinc/61/82/55/1332618255.db2.gz XQISFGCQCBCWCO-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001346263791 1332620454 /nfs/dbraw/zinc/62/04/54/1332620454.db2.gz JHAUAFYREPQAAL-QAPCUYQASA-N 1 0 333.432 2.625 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001346289250 1332622891 /nfs/dbraw/zinc/62/28/91/1332622891.db2.gz VPANFWHZHXREJL-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001347891142 1332782192 /nfs/dbraw/zinc/78/21/92/1332782192.db2.gz RTPRNXKNSSYGRD-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO Nc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC001347981063 1332790142 /nfs/dbraw/zinc/79/01/42/1332790142.db2.gz JYABYZBQTXAFMF-CQSZACIVSA-N 1 0 333.436 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCC(CO)CC1)CCCC2 ZINC001348549678 1332847470 /nfs/dbraw/zinc/84/74/70/1332847470.db2.gz ASIFGKZLOHIHFA-LJQANCHMSA-N 1 0 347.459 2.656 20 5 EFBDRO COc1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001349923103 1333014483 /nfs/dbraw/zinc/01/44/83/1333014483.db2.gz XIJFCABEAQPQKB-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001351128063 1333183743 /nfs/dbraw/zinc/18/37/43/1333183743.db2.gz RFPFAKVSPQTWLK-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000847254949 1333449323 /nfs/dbraw/zinc/44/93/23/1333449323.db2.gz HZTWLDQYMGIMHV-GJZGRUSLSA-N 1 0 335.379 2.789 20 5 EFBDRO Cc1cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC001353296264 1334070306 /nfs/dbraw/zinc/07/03/06/1334070306.db2.gz WPHUVKSCAUVUQU-UHFFFAOYSA-N 1 0 340.383 2.697 20 5 EFBDRO O=C(Cc1ccoc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002662350 1334582070 /nfs/dbraw/zinc/58/20/70/1334582070.db2.gz PHTVPQDSUYHCOE-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000848477125 1334736000 /nfs/dbraw/zinc/73/60/00/1334736000.db2.gz PCPLCPFMDBODRY-INIZCTEOSA-N 1 0 341.415 2.586 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481006 1334738377 /nfs/dbraw/zinc/73/83/77/1334738377.db2.gz UNYIANJQAVWIBQ-HNNXBMFYSA-N 1 0 343.431 2.689 20 5 EFBDRO CO[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848488996 1334745963 /nfs/dbraw/zinc/74/59/63/1334745963.db2.gz PHGVKLDCLBMCLF-DYVFJYSZSA-N 1 0 330.388 2.773 20 5 EFBDRO CO[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1C ZINC000848488997 1334745980 /nfs/dbraw/zinc/74/59/80/1334745980.db2.gz PHGVKLDCLBMCLF-GUYCJALGSA-N 1 0 330.388 2.773 20 5 EFBDRO COC[C@]1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491704 1334748168 /nfs/dbraw/zinc/74/81/68/1334748168.db2.gz YPOBMRKCUODVCX-QGZVFWFLSA-N 1 0 330.388 2.774 20 5 EFBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848527172 1334775489 /nfs/dbraw/zinc/77/54/89/1334775489.db2.gz UDVXUDSZQBOUCA-MRXNPFEDSA-N 1 0 343.358 2.741 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000848531603 1334778084 /nfs/dbraw/zinc/77/80/84/1334778084.db2.gz UBQVGDPSRGKTCR-QAPCUYQASA-N 1 0 345.443 2.815 20 5 EFBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848573594 1334802515 /nfs/dbraw/zinc/80/25/15/1334802515.db2.gz WEBWZVUAGVAQBV-LBPRGKRZSA-N 1 0 343.383 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848795839 1334904937 /nfs/dbraw/zinc/90/49/37/1334904937.db2.gz NEKOCZFNASWNDB-AWEZNQCLSA-N 1 0 339.823 2.939 20 5 EFBDRO CCCCNC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849055948 1335060359 /nfs/dbraw/zinc/06/03/59/1335060359.db2.gz MHMCTDVZOSSYOG-UHFFFAOYSA-N 1 0 347.341 2.940 20 5 EFBDRO CC(C)CNC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849055757 1335061038 /nfs/dbraw/zinc/06/10/38/1335061038.db2.gz BRICIZQDAPHPJS-UHFFFAOYSA-N 1 0 347.341 2.795 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001357291336 1335297180 /nfs/dbraw/zinc/29/71/80/1335297180.db2.gz KRUSNTLQRUKEGT-DZGCQCFKSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001357321712 1335300392 /nfs/dbraw/zinc/30/03/92/1335300392.db2.gz IEQKUKUOOOKGPB-ZFWWWQNUSA-N 1 0 331.416 2.860 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357445217 1335307962 /nfs/dbraw/zinc/30/79/62/1335307962.db2.gz KZXXITVOEOJITB-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001358394687 1335376092 /nfs/dbraw/zinc/37/60/92/1335376092.db2.gz RHIWSYMXJHYNIY-OGHNNQOOSA-N 1 0 349.456 2.805 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001577385649 1385597394 /nfs/dbraw/zinc/59/73/94/1385597394.db2.gz OIZYKVVXIYVLRY-VIFPVBQESA-N 1 0 348.266 2.993 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162386152 1418727376 /nfs/dbraw/zinc/72/73/76/1418727376.db2.gz CBXSCVLOJJWMPH-NXEZZACHSA-N 1 0 328.210 2.526 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(C2CC2)CCC1 ZINC001020440696 713007285 /nfs/dbraw/zinc/00/72/85/713007285.db2.gz ONKMWFZJUWRBSO-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OCC1CC[NH2+]CC1 ZINC000097368787 713015407 /nfs/dbraw/zinc/01/54/07/713015407.db2.gz XSSRQCCBMWEMCR-UHFFFAOYSA-N 1 0 333.157 2.875 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001020447973 713020677 /nfs/dbraw/zinc/02/06/77/713020677.db2.gz OQVJSPYSHKLQNE-JOCQHMNTSA-N 1 0 337.445 2.973 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001020487545 713068369 /nfs/dbraw/zinc/06/83/69/713068369.db2.gz DGBWTQCRDOJQHK-JOCQHMNTSA-N 1 0 337.445 2.829 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000165274713 713325904 /nfs/dbraw/zinc/32/59/04/713325904.db2.gz CAQSCIXEHZZDDU-UHFFFAOYSA-N 1 0 343.431 2.852 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000804809301 713476296 /nfs/dbraw/zinc/47/62/96/713476296.db2.gz WWHSFEXDXWGZBH-UHFFFAOYSA-N 1 0 346.431 2.792 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000804840478 713543101 /nfs/dbraw/zinc/54/31/01/713543101.db2.gz GSWWKCSJZWAEFE-UHFFFAOYSA-N 1 0 343.387 2.794 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001021784502 714473956 /nfs/dbraw/zinc/47/39/56/714473956.db2.gz HSOJNTSSDJNZIO-OKILXGFUSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001021785314 714475624 /nfs/dbraw/zinc/47/56/24/714475624.db2.gz BBVALFJYPYJFPM-OKILXGFUSA-N 1 0 337.445 2.973 20 5 EFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000157818840 714524708 /nfs/dbraw/zinc/52/47/08/714524708.db2.gz VXSIHINVVFVYFO-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)oc1C ZINC001021968540 714620999 /nfs/dbraw/zinc/62/09/99/714620999.db2.gz VGCNSLBYYYYOCS-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933331513 714666809 /nfs/dbraw/zinc/66/68/09/714666809.db2.gz FEHWFIHMXCKAGK-FHLIZLRMSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000255332912 714677270 /nfs/dbraw/zinc/67/72/70/714677270.db2.gz CPIGNKSQSAEDHA-GTBONMDNSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022037274 714679117 /nfs/dbraw/zinc/67/91/17/714679117.db2.gz DCKGZGXFNQBSKB-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001022037611 714682060 /nfs/dbraw/zinc/68/20/60/714682060.db2.gz UQRCQFNYKMJGGH-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000933425795 714773250 /nfs/dbraw/zinc/77/32/50/714773250.db2.gz SCMUWJMLDWJBHF-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000933425794 714773423 /nfs/dbraw/zinc/77/34/23/714773423.db2.gz SCMUWJMLDWJBHF-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1c(O)ccc(CN2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000891568264 714828648 /nfs/dbraw/zinc/82/86/48/714828648.db2.gz PHOTXHZMTMBSCG-UHFFFAOYSA-N 1 0 349.431 2.759 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC001022292892 714973932 /nfs/dbraw/zinc/97/39/32/714973932.db2.gz DMECYRCEWCVGBA-BETUJISGSA-N 1 0 348.428 2.652 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001022295249 714983762 /nfs/dbraw/zinc/98/37/62/714983762.db2.gz JZKIXLITLTYIND-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO C[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000891752366 714996434 /nfs/dbraw/zinc/99/64/34/714996434.db2.gz ZQABSBFPFXSUAF-KSSFIOAISA-N 1 0 346.431 2.831 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933769954 715043617 /nfs/dbraw/zinc/04/36/17/715043617.db2.gz HYVSBJJBDNLIQP-QGTPRVQTSA-N 1 0 345.443 2.889 20 5 EFBDRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121264054 715210337 /nfs/dbraw/zinc/21/03/37/715210337.db2.gz ROENDKRKBRNJLM-PBHICJAKSA-N 1 0 343.431 2.627 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000934166451 715237018 /nfs/dbraw/zinc/23/70/18/715237018.db2.gz RBKVJRHPHDTQOW-UKTARXLSSA-N 1 0 335.404 2.788 20 5 EFBDRO C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000892110842 715256591 /nfs/dbraw/zinc/25/65/91/715256591.db2.gz HHWUSWRLKZXGPG-ZDUSSCGKSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892110763 715256667 /nfs/dbraw/zinc/25/66/67/715256667.db2.gz DNJJMZFEQNSNJP-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934237146 715274194 /nfs/dbraw/zinc/27/41/94/715274194.db2.gz UJRQBCPQDVLHBS-JSGCOSHPSA-N 1 0 342.399 2.846 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1occc1Cl ZINC001022660356 715278905 /nfs/dbraw/zinc/27/89/05/715278905.db2.gz QRUGOJZPVYVAPM-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000934398095 715449851 /nfs/dbraw/zinc/44/98/51/715449851.db2.gz RLSNIFNJNLDWMQ-GHMZBOCLSA-N 1 0 335.429 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC000934437955 715473803 /nfs/dbraw/zinc/47/38/03/715473803.db2.gz NQSVFBFSXMLDAZ-IEBWSBKVSA-N 1 0 326.396 2.673 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000893453541 715571102 /nfs/dbraw/zinc/57/11/02/715571102.db2.gz PPKDYJAZTZNNIR-ZFWWWQNUSA-N 1 0 334.420 2.700 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000248008582 716013523 /nfs/dbraw/zinc/01/35/23/716013523.db2.gz QMHHEDQGYJDGSI-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)s1 ZINC001023156302 716176824 /nfs/dbraw/zinc/17/68/24/716176824.db2.gz BGQXRMTZHQIRLF-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000141908917 723475502 /nfs/dbraw/zinc/47/55/02/723475502.db2.gz ZQBGJXAPVRODQS-PHIMTYICSA-N 1 0 342.237 2.882 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000162872832 716917006 /nfs/dbraw/zinc/91/70/06/716917006.db2.gz LFJJCBZGJYIRCQ-CQSZACIVSA-N 1 0 348.447 2.832 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2ccccc2F)c1[N+](=O)[O-] ZINC000892413022 717167127 /nfs/dbraw/zinc/16/71/27/717167127.db2.gz BLEFDJOVKKHMGF-UHFFFAOYSA-N 1 0 336.319 2.617 20 5 EFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[C@@H]1O ZINC000235371280 717341922 /nfs/dbraw/zinc/34/19/22/717341922.db2.gz CGPNCCUVDOBVTK-SKDRFNHKSA-N 1 0 329.194 2.560 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000255756999 717467571 /nfs/dbraw/zinc/46/75/71/717467571.db2.gz SQUFILCCCXCKCD-XQRVVYSFSA-N 1 0 348.399 2.652 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000893577491 717638951 /nfs/dbraw/zinc/63/89/51/717638951.db2.gz ZYDQYUALTNZZDN-VIFPVBQESA-N 1 0 337.401 2.967 20 5 EFBDRO COc1c(O)ccc(CNC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000892532093 718221075 /nfs/dbraw/zinc/22/10/75/718221075.db2.gz ICXNMPQPBVUMOY-UHFFFAOYSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000892535739 718230980 /nfs/dbraw/zinc/23/09/80/718230980.db2.gz ROJSMCWAINMJQZ-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000892545772 718262925 /nfs/dbraw/zinc/26/29/25/718262925.db2.gz RWWLGPZNTASGDK-CQSZACIVSA-N 1 0 332.791 2.994 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892580053 718305653 /nfs/dbraw/zinc/30/56/53/718305653.db2.gz ZIKHFFUZSKONAC-SWLSCSKDSA-N 1 0 338.404 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000892596068 718322298 /nfs/dbraw/zinc/32/22/98/718322298.db2.gz MVFXLEWNSCPKQD-HUUCEWRRSA-N 1 0 331.416 2.958 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892618579 718347830 /nfs/dbraw/zinc/34/78/30/718347830.db2.gz LRWIEZFZUCRQLM-GFCCVEGCSA-N 1 0 331.376 2.586 20 5 EFBDRO COc1c(O)ccc(CNC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000892630862 718356824 /nfs/dbraw/zinc/35/68/24/718356824.db2.gz DJLNMGAMXFZYET-UHFFFAOYSA-N 1 0 337.420 2.662 20 5 EFBDRO CC(C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000106903073 718649934 /nfs/dbraw/zinc/64/99/34/718649934.db2.gz CHHOEYQDPQBLGD-CQSZACIVSA-N 1 0 327.812 2.793 20 5 EFBDRO C/C=C(\C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981698413 718954248 /nfs/dbraw/zinc/95/42/48/718954248.db2.gz CPXQAJPQZAIKSD-CRKCGEKBSA-N 1 0 343.427 2.985 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000893642224 719008888 /nfs/dbraw/zinc/00/88/88/719008888.db2.gz MTQDJCDCOMQEGX-IRXDYDNUSA-N 1 0 336.388 2.604 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000981764935 719012903 /nfs/dbraw/zinc/01/29/03/719012903.db2.gz KSEBUYNLXBUUFZ-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO CCC[N@H+](CC)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892771416 719149035 /nfs/dbraw/zinc/14/90/35/719149035.db2.gz JOESKVRNAXYONW-UHFFFAOYSA-N 1 0 332.404 2.591 20 5 EFBDRO CC1(C(=O)N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC=CC1 ZINC000981878327 719161795 /nfs/dbraw/zinc/16/17/95/719161795.db2.gz RLQXVJJMLQDMNO-UHFFFAOYSA-N 1 0 343.427 2.985 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CCCCC1 ZINC001025655826 719290337 /nfs/dbraw/zinc/29/03/37/719290337.db2.gz ZPPSOZTWELOJKD-VQFNDLOPSA-N 1 0 343.427 2.722 20 5 EFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(F)F)CC1 ZINC001029924624 724574554 /nfs/dbraw/zinc/57/45/54/724574554.db2.gz RJRUKCRDMAZQQF-UHFFFAOYSA-N 1 0 341.358 2.530 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164657579 719338569 /nfs/dbraw/zinc/33/85/69/719338569.db2.gz SOFCYNVZKZBXNI-UHFFFAOYSA-N 1 0 341.415 2.830 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019976340 719412828 /nfs/dbraw/zinc/41/28/28/719412828.db2.gz IBVABXPNOWVSHL-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO COc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893024166 719480831 /nfs/dbraw/zinc/48/08/31/719480831.db2.gz AXULIAVXVZWYFL-UKRRQHHQSA-N 1 0 349.431 2.938 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001020328799 719490221 /nfs/dbraw/zinc/49/02/21/719490221.db2.gz KWCSKMCWGKKCDA-HDJSIYSDSA-N 1 0 335.379 2.614 20 5 EFBDRO C[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000893119195 719693198 /nfs/dbraw/zinc/69/31/98/719693198.db2.gz OMXPWTBMZQBLBO-GFCCVEGCSA-N 1 0 342.399 2.509 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCc2cccc(OC(F)(F)F)c2)c1 ZINC000893133098 719720678 /nfs/dbraw/zinc/72/06/78/719720678.db2.gz AFVLMGVWSMVWBS-UHFFFAOYSA-N 1 0 344.293 2.522 20 5 EFBDRO C[N@H+](CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924092536 719736484 /nfs/dbraw/zinc/73/64/84/719736484.db2.gz FEAZKERUUZFSOR-UHFFFAOYSA-N 1 0 328.328 2.912 20 5 EFBDRO [NH3+]C1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1 ZINC000261622312 719774586 /nfs/dbraw/zinc/77/45/86/719774586.db2.gz BWKBRWQPISROBD-UHFFFAOYSA-N 1 0 338.751 2.591 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261634665 719805652 /nfs/dbraw/zinc/80/56/52/719805652.db2.gz HRVZOBRPSJMIRS-ZDUSSCGKSA-N 1 0 327.384 2.848 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000893198398 720027525 /nfs/dbraw/zinc/02/75/25/720027525.db2.gz HDBZAGXOHSDPJQ-GFCCVEGCSA-N 1 0 348.428 2.943 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCSCC(F)(F)F)c1[N+](=O)[O-] ZINC000893229877 720132974 /nfs/dbraw/zinc/13/29/74/720132974.db2.gz MEKIYKGSWBBSRR-UHFFFAOYSA-N 1 0 340.323 2.694 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000893963771 720176844 /nfs/dbraw/zinc/17/68/44/720176844.db2.gz HLMKZMIYQUVDKH-QGZVFWFLSA-N 1 0 338.404 2.682 20 5 EFBDRO COCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000894002260 720216603 /nfs/dbraw/zinc/21/66/03/720216603.db2.gz VCJSWDMEWJQVBL-TZMCWYRMSA-N 1 0 338.404 2.946 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1OC ZINC000894081735 720263154 /nfs/dbraw/zinc/26/31/54/720263154.db2.gz BCWMQYPCKBIVSX-MGPQQGTHSA-N 1 0 348.321 2.896 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000893256591 720283698 /nfs/dbraw/zinc/28/36/98/720283698.db2.gz RPPVNFPUDVUNCG-OAHLLOKOSA-N 1 0 329.404 2.651 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893320728 720608066 /nfs/dbraw/zinc/60/80/66/720608066.db2.gz UIHDWJGMGCTDKV-ZIAGYGMSSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000169311292 721084190 /nfs/dbraw/zinc/08/41/90/721084190.db2.gz ICYFFEDZFZOIHQ-UHFFFAOYSA-N 1 0 343.431 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000015129976 721143334 /nfs/dbraw/zinc/14/33/34/721143334.db2.gz CWWGWHGIGZRWPJ-ZDUSSCGKSA-N 1 0 325.796 2.549 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164773465 721286018 /nfs/dbraw/zinc/28/60/18/721286018.db2.gz PSWZUVJIGKCJLK-UHFFFAOYSA-N 1 0 336.823 2.874 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000983037421 721774690 /nfs/dbraw/zinc/77/46/90/721774690.db2.gz SGTVSPXYQLGSMY-JCNLHEQBSA-N 1 0 339.395 2.893 20 5 EFBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]1 ZINC000261866003 721842931 /nfs/dbraw/zinc/84/29/31/721842931.db2.gz KSYPLRUZTAQRHR-ZDUSSCGKSA-N 1 0 333.310 2.794 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000894412210 722719513 /nfs/dbraw/zinc/71/95/13/722719513.db2.gz ILFKRBVISLJIME-GXTWGEPZSA-N 1 0 338.404 2.825 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894557856 722778762 /nfs/dbraw/zinc/77/87/62/722778762.db2.gz LDONCEXFNYIJTM-GFCCVEGCSA-N 1 0 325.409 2.519 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000894865818 722916899 /nfs/dbraw/zinc/91/68/99/722916899.db2.gz NKDNVNWWPVZRGP-UKRRQHHQSA-N 1 0 329.404 2.508 20 5 EFBDRO COc1c(O)ccc(CN(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894964793 723037575 /nfs/dbraw/zinc/03/75/75/723037575.db2.gz YYMBFVZJFSMKFR-UHFFFAOYSA-N 1 0 337.420 2.615 20 5 EFBDRO C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C[NH3+] ZINC000841232955 723054690 /nfs/dbraw/zinc/05/46/90/723054690.db2.gz HNDWTJBNPGOYRL-VHSXEESVSA-N 1 0 326.784 2.697 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000262085183 723061275 /nfs/dbraw/zinc/06/12/75/723061275.db2.gz UERFPEIOZFUEHG-INIZCTEOSA-N 1 0 332.791 2.790 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000984620204 723184791 /nfs/dbraw/zinc/18/47/91/723184791.db2.gz JDININZQHOSBEZ-OABLHMDDSA-N 1 0 349.456 2.687 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000896520674 723337541 /nfs/dbraw/zinc/33/75/41/723337541.db2.gz LPQXBHGWBNRJKO-HNNXBMFYSA-N 1 0 331.416 2.770 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139320253 728830618 /nfs/dbraw/zinc/83/06/18/728830618.db2.gz NZHAAXBRWSNCFJ-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000181289667 728836386 /nfs/dbraw/zinc/83/63/86/728836386.db2.gz PAIFGNZUCZPPEV-SNVBAGLBSA-N 1 0 334.763 2.933 20 5 EFBDRO C[C@@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248376 723936785 /nfs/dbraw/zinc/93/67/85/723936785.db2.gz KSXIYKDLWUVFRY-BXKDBHETSA-N 1 0 347.246 2.948 20 5 EFBDRO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249718 723938533 /nfs/dbraw/zinc/93/85/33/723938533.db2.gz VADKNPQETWQUDN-GWCFXTLKSA-N 1 0 346.353 2.660 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895246743 723940719 /nfs/dbraw/zinc/94/07/19/723940719.db2.gz DFEBBZGUMGTMBD-HZMBPMFUSA-N 1 0 328.363 2.579 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247493 723941547 /nfs/dbraw/zinc/94/15/47/723941547.db2.gz UTKKGZDNQNLYDM-YGRLFVJLSA-N 1 0 346.353 2.660 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000897016582 723946427 /nfs/dbraw/zinc/94/64/27/723946427.db2.gz JEHKBCALEKJJDF-LSDHHAIUSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000895280023 723978552 /nfs/dbraw/zinc/97/85/52/723978552.db2.gz YZOPANRBWSVBPB-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)CC2CC2)CC1 ZINC000985206996 723988040 /nfs/dbraw/zinc/98/80/40/723988040.db2.gz QFWWWNQMEWCTLJ-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985207052 723988098 /nfs/dbraw/zinc/98/80/98/723988098.db2.gz RNSKCGWGFJWGHK-UHFFFAOYSA-N 1 0 347.387 2.734 20 5 EFBDRO COc1c(O)ccc(CN[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000895396007 724110551 /nfs/dbraw/zinc/11/05/51/724110551.db2.gz FFIMHPAKKAUMBJ-ZDUSSCGKSA-N 1 0 337.420 2.519 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000895441715 724135113 /nfs/dbraw/zinc/13/51/13/724135113.db2.gz DXRUQHCEBKZBGV-INIZCTEOSA-N 1 0 342.823 2.906 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000985344691 724147711 /nfs/dbraw/zinc/14/77/11/724147711.db2.gz BTXNMMYTXIQWEV-FPLPWBNLSA-N 1 0 343.427 2.984 20 5 EFBDRO COc1cc(NCc2cc(N(C)C)ccn2)c([N+](=O)[O-])cc1OC ZINC000895465551 724147927 /nfs/dbraw/zinc/14/79/27/724147927.db2.gz LKTGCAXQMCKRJF-UHFFFAOYSA-N 1 0 332.360 2.685 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000918373855 728871894 /nfs/dbraw/zinc/87/18/94/728871894.db2.gz MUSNGPCGUZNWTP-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711117 724270228 /nfs/dbraw/zinc/27/02/28/724270228.db2.gz YPTMPRDUHPANFY-MEJMFZKBSA-N 1 0 334.294 2.528 20 5 EFBDRO CCO/C=C/[C@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895713855 724273940 /nfs/dbraw/zinc/27/39/40/724273940.db2.gz OZJCLZSDDZHPDR-PLWJUESGSA-N 1 0 348.321 2.571 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000109015968 724274436 /nfs/dbraw/zinc/27/44/36/724274436.db2.gz NADMMYPOGFQPNV-IBGZPJMESA-N 1 0 342.395 2.917 20 5 EFBDRO O=C1N(C[N@@H+]2CCC3(CCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154785157 728906136 /nfs/dbraw/zinc/90/61/36/728906136.db2.gz GUUBYYSQKMKHPZ-UHFFFAOYSA-N 1 0 330.388 2.670 20 5 EFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000925383316 725699861 /nfs/dbraw/zinc/69/98/61/725699861.db2.gz RWIITTMTBVGPFH-SNVBAGLBSA-N 1 0 329.194 2.879 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897432779 725758334 /nfs/dbraw/zinc/75/83/34/725758334.db2.gz NMLIRJHTOVGXJU-OAHLLOKOSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000914218950 726176084 /nfs/dbraw/zinc/17/60/84/726176084.db2.gz KEZQGCKRDTYKCT-KCXAZCMYSA-N 1 0 332.404 2.582 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152673407 726210899 /nfs/dbraw/zinc/21/08/99/726210899.db2.gz JJGDCTGTPHJZLW-UHFFFAOYSA-N 1 0 327.812 2.908 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000152739297 726240044 /nfs/dbraw/zinc/24/00/44/726240044.db2.gz AYRPNKOQFUILAZ-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(NCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000731452545 726870934 /nfs/dbraw/zinc/87/09/34/726870934.db2.gz COJARWCGQUKQFI-HYXAFXHYSA-N 1 0 343.358 2.767 20 5 EFBDRO CCOc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000731678039 726916738 /nfs/dbraw/zinc/91/67/38/726916738.db2.gz FTQYGBVMZBRINV-INIZCTEOSA-N 1 0 346.383 2.825 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000731873976 726947020 /nfs/dbraw/zinc/94/70/20/726947020.db2.gz ZFHYSZONQJKZEM-CYBMUJFWSA-N 1 0 348.447 2.807 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000915355248 726958130 /nfs/dbraw/zinc/95/81/30/726958130.db2.gz NTVUEULFXVMFAG-HNNXBMFYSA-N 1 0 338.310 2.705 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[NH+]2CCCCC2)c1 ZINC000915442269 726987140 /nfs/dbraw/zinc/98/71/40/726987140.db2.gz HVAHTIUBYWXYPV-UHFFFAOYSA-N 1 0 336.388 2.701 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000732264829 727011995 /nfs/dbraw/zinc/01/19/95/727011995.db2.gz YCBORAFWPBRVGV-CQSZACIVSA-N 1 0 325.796 2.691 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907960448 727063798 /nfs/dbraw/zinc/06/37/98/727063798.db2.gz VDURYFPGHDTLEX-UHFFFAOYSA-N 1 0 343.786 2.945 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000888283356 727203145 /nfs/dbraw/zinc/20/31/45/727203145.db2.gz OIMBXMNMLPNEQC-SNVBAGLBSA-N 1 0 326.784 2.630 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573361 727218468 /nfs/dbraw/zinc/21/84/68/727218468.db2.gz PGAXFQAURWFOFR-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908574142 727219240 /nfs/dbraw/zinc/21/92/40/727219240.db2.gz SHKYTWGNYBHYJR-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO COc1ccc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000908576354 727220129 /nfs/dbraw/zinc/22/01/29/727220129.db2.gz IQORCFCSHMCMMA-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910280850 727426756 /nfs/dbraw/zinc/42/67/56/727426756.db2.gz SYQZUDUFRCRYOQ-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000910281295 727426869 /nfs/dbraw/zinc/42/68/69/727426869.db2.gz JBGZNLRKRSIVPQ-LBPRGKRZSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910284212 727427282 /nfs/dbraw/zinc/42/72/82/727427282.db2.gz OJVUBEIFQGIJRD-LBPRGKRZSA-N 1 0 341.358 2.629 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910293288 727430873 /nfs/dbraw/zinc/43/08/73/727430873.db2.gz NJEWPZYQJAQNML-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910297942 727431500 /nfs/dbraw/zinc/43/15/00/727431500.db2.gz NVOAPBWQYLRRSI-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000911200764 727509796 /nfs/dbraw/zinc/50/97/96/727509796.db2.gz METPGWQFWYORLW-SNVBAGLBSA-N 1 0 329.759 2.554 20 5 EFBDRO C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000911820149 727603003 /nfs/dbraw/zinc/60/30/03/727603003.db2.gz CNJQPIMDRMOOIG-NHYWBVRUSA-N 1 0 339.823 2.767 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916031961 727651018 /nfs/dbraw/zinc/65/10/18/727651018.db2.gz HEORUFQJKREUCF-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H]1C[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000912149223 727664585 /nfs/dbraw/zinc/66/45/85/727664585.db2.gz AEADGLZZCJCAEL-GHMZBOCLSA-N 1 0 325.796 2.595 20 5 EFBDRO CSCC[C@H]([NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912149586 727664638 /nfs/dbraw/zinc/66/46/38/727664638.db2.gz DUCLFEDFPMKTLG-NSHDSACASA-N 1 0 345.852 2.677 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000912297161 727689851 /nfs/dbraw/zinc/68/98/51/727689851.db2.gz QCBFGGWBAOVVHK-SNVBAGLBSA-N 1 0 343.786 2.990 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000733165255 727709308 /nfs/dbraw/zinc/70/93/08/727709308.db2.gz AFRPYFAJUQSJBC-WFASDCNBSA-N 1 0 339.461 2.778 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000733169231 727709733 /nfs/dbraw/zinc/70/97/33/727709733.db2.gz PLWKITXJNHTNDX-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO C[NH+](C)CCCOC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000912591960 727727614 /nfs/dbraw/zinc/72/76/14/727727614.db2.gz JKBCQNXCNLJNSH-UHFFFAOYSA-N 1 0 349.309 2.520 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c2nonc21 ZINC000912730331 727738633 /nfs/dbraw/zinc/73/86/33/727738633.db2.gz BJSUTIUAPGXFKZ-ZDUSSCGKSA-N 1 0 343.343 2.973 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000912807537 727745061 /nfs/dbraw/zinc/74/50/61/727745061.db2.gz LUSVTLDHHMUUPZ-WBMJQRKESA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000912807535 727745120 /nfs/dbraw/zinc/74/51/20/727745120.db2.gz LUSVTLDHHMUUPZ-LRDDRELGSA-N 1 0 337.395 2.926 20 5 EFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912812139 727747523 /nfs/dbraw/zinc/74/75/23/727747523.db2.gz SNJRTHNYNBQGJD-UKRRQHHQSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912812138 727747525 /nfs/dbraw/zinc/74/75/25/727747525.db2.gz SNJRTHNYNBQGJD-HIFRSBDPSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912815982 727749011 /nfs/dbraw/zinc/74/90/11/727749011.db2.gz SHWDCUHRJALPRU-YOEHRIQHSA-N 1 0 349.431 2.552 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000912816013 727749084 /nfs/dbraw/zinc/74/90/84/727749084.db2.gz SQRJJJZVDUWVPD-VXGBXAGGSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912816041 727749086 /nfs/dbraw/zinc/74/90/86/727749086.db2.gz TXNYDLNBOYTODW-LSDHHAIUSA-N 1 0 349.431 2.552 20 5 EFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000917011409 727754737 /nfs/dbraw/zinc/75/47/37/727754737.db2.gz ZMLRBONPQZPLAZ-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000888290161 727760351 /nfs/dbraw/zinc/76/03/51/727760351.db2.gz ZZIWABVIVIVTAY-UHFFFAOYSA-N 1 0 326.784 2.772 20 5 EFBDRO CC(=O)c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917064346 727762399 /nfs/dbraw/zinc/76/23/99/727762399.db2.gz PKZSBJTXZNFMBC-INIZCTEOSA-N 1 0 347.415 2.853 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000917136322 727775719 /nfs/dbraw/zinc/77/57/19/727775719.db2.gz XDUMEICPLNSSSV-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000058519200 728187950 /nfs/dbraw/zinc/18/79/50/728187950.db2.gz CMIAMAMMNVNKKK-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158066994 728279681 /nfs/dbraw/zinc/27/96/81/728279681.db2.gz YLLILKCJCOYUPZ-YPMHNXCESA-N 1 0 346.412 2.576 20 5 EFBDRO CCCCN(CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000060839833 728435032 /nfs/dbraw/zinc/43/50/32/728435032.db2.gz ZLBUNGNMHXNCKJ-UHFFFAOYSA-N 1 0 330.388 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000061013531 728464742 /nfs/dbraw/zinc/46/47/42/728464742.db2.gz NIFMPPPIWRGZHG-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000061031099 728467518 /nfs/dbraw/zinc/46/75/18/728467518.db2.gz CPMBOUKOHNHZOJ-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172775635 728605460 /nfs/dbraw/zinc/60/54/60/728605460.db2.gz FPOCWKJQVWRNNM-CQSZACIVSA-N 1 0 346.431 2.790 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000919721964 729074975 /nfs/dbraw/zinc/07/49/75/729074975.db2.gz HPDXBFPSOFLYFC-FRRDWIJNSA-N 1 0 345.403 2.973 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000919721965 729075024 /nfs/dbraw/zinc/07/50/24/729075024.db2.gz HPDXBFPSOFLYFC-JHJVBQTASA-N 1 0 345.403 2.973 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000920745591 729222697 /nfs/dbraw/zinc/22/26/97/729222697.db2.gz ZXFDWLYVVBLKHG-AEOIHIIDSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)(C)c1n[nH]cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179534860 729586821 /nfs/dbraw/zinc/58/68/21/729586821.db2.gz LGHVANRCTKRYPJ-UHFFFAOYSA-N 1 0 343.431 2.938 20 5 EFBDRO COC(=O)[C@H](OCCC[N+](C)(C)C)c1cccc(Br)c1 ZINC001224622700 1110025591 /nfs/dbraw/zinc/02/55/91/1110025591.db2.gz IWHVPGBBONOAFG-CQSZACIVSA-N 1 0 345.257 2.776 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873149952 1126117685 /nfs/dbraw/zinc/11/76/85/1126117685.db2.gz HDHORPMVNNWGOX-IBGZPJMESA-N 1 0 344.411 2.995 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931601437 1126135635 /nfs/dbraw/zinc/13/56/35/1126135635.db2.gz OPKJGGFNWRUNMR-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO CC(C)([NH3+])CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001575354093 1088411106 /nfs/dbraw/zinc/41/11/06/1088411106.db2.gz NSPWZCDTAXCPKA-UHFFFAOYSA-N 1 0 338.166 2.898 20 5 EFBDRO CC(C)(NC(=O)NCC[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001575381140 1088426927 /nfs/dbraw/zinc/42/69/27/1088426927.db2.gz ZAXKLVUXAABMTI-CQSZACIVSA-N 1 0 348.447 2.909 20 5 EFBDRO CC(C)[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H](C)[NH3+] ZINC001575407575 1088448424 /nfs/dbraw/zinc/44/84/24/1088448424.db2.gz DIDKRVKLNJLMHP-QMTHXVAHSA-N 1 0 331.376 2.543 20 5 EFBDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001575560358 1088555243 /nfs/dbraw/zinc/55/52/43/1088555243.db2.gz ATOJHJLNPCOKNO-ZDUSSCGKSA-N 1 0 331.376 2.687 20 5 EFBDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001575560355 1088555915 /nfs/dbraw/zinc/55/59/15/1088555915.db2.gz ATOJHJLNPCOKNO-CYBMUJFWSA-N 1 0 331.376 2.687 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001575689537 1088633196 /nfs/dbraw/zinc/63/31/96/1088633196.db2.gz KCQDUFCPVWHWEA-SHTZXODSSA-N 1 0 334.420 2.785 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001575798758 1088696294 /nfs/dbraw/zinc/69/62/94/1088696294.db2.gz KOLKBSIOAYNDGK-GOSISDBHSA-N 1 0 347.415 2.598 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)c1[N+](=O)[O-] ZINC001575848337 1088731983 /nfs/dbraw/zinc/73/19/83/1088731983.db2.gz ZAKKFUQJMFUURM-UHFFFAOYSA-N 1 0 331.376 2.887 20 5 EFBDRO C[C@]1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC001576330598 1089109234 /nfs/dbraw/zinc/10/92/34/1089109234.db2.gz JSMWYDYPLFDQCC-QAPCUYQASA-N 1 0 331.416 2.691 20 5 EFBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001576744218 1089433253 /nfs/dbraw/zinc/43/32/53/1089433253.db2.gz HHFXEKRCEFIKAF-TVQRCGJNSA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576880891 1089505454 /nfs/dbraw/zinc/50/54/54/1089505454.db2.gz SAPLCIZYMUDRLP-GUBZILKMSA-N 1 0 345.321 2.825 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001577096683 1089651836 /nfs/dbraw/zinc/65/18/36/1089651836.db2.gz UTKHTAOJOSFSHC-RDJZCZTQSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001577096600 1089651912 /nfs/dbraw/zinc/65/19/12/1089651912.db2.gz RZBVYFRXSVZACR-PVAVHDDUSA-N 1 0 331.416 2.516 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001577096657 1089652016 /nfs/dbraw/zinc/65/20/16/1089652016.db2.gz UAKQEYRXXXIATG-HNNXBMFYSA-N 1 0 345.443 2.812 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001577303655 1089812033 /nfs/dbraw/zinc/81/20/33/1089812033.db2.gz FACNIEQSAADHGQ-YCPHGPKFSA-N 1 0 335.429 2.557 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001577384214 1089897368 /nfs/dbraw/zinc/89/73/68/1089897368.db2.gz WRXRWQVANQMDPS-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC001577476235 1089995509 /nfs/dbraw/zinc/99/55/09/1089995509.db2.gz ZGNMEWMGLVBHPE-CQSZACIVSA-N 1 0 337.445 2.954 20 5 EFBDRO CC[NH2+][C@@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001577800553 1090187288 /nfs/dbraw/zinc/18/72/88/1090187288.db2.gz UGUAOZXKFFLQCL-JTQLQIEISA-N 1 0 325.796 2.989 20 5 EFBDRO CC[NH2+]C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001577821243 1090195994 /nfs/dbraw/zinc/19/59/94/1090195994.db2.gz DWUJYHARWNHPCZ-UHFFFAOYSA-N 1 0 330.388 2.824 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578189427 1090298285 /nfs/dbraw/zinc/29/82/85/1090298285.db2.gz HPXZYZVZAZWUDT-CLLJXQQHSA-N 1 0 348.403 2.646 20 5 EFBDRO CC[C@@H](NC(=O)c1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC001578225857 1090313764 /nfs/dbraw/zinc/31/37/64/1090313764.db2.gz NTHCUFNYIQNDKH-QGZVFWFLSA-N 1 0 327.384 2.977 20 5 EFBDRO CCc1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC001578252687 1090318894 /nfs/dbraw/zinc/31/88/94/1090318894.db2.gz KCRJZVJSTJLJAU-UHFFFAOYSA-N 1 0 331.347 2.685 20 5 EFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cc(C[NH3+])ccn1 ZINC001578376754 1090354769 /nfs/dbraw/zinc/35/47/69/1090354769.db2.gz SIADKIRSWLFIHI-UHFFFAOYSA-N 1 0 348.790 2.698 20 5 EFBDRO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC001578378284 1090355249 /nfs/dbraw/zinc/35/52/49/1090355249.db2.gz OVQFPXJBJVCWTB-UHFFFAOYSA-N 1 0 325.796 2.519 20 5 EFBDRO CN(CCCCCC[NH3+])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001578464912 1090378309 /nfs/dbraw/zinc/37/83/09/1090378309.db2.gz DMLNLRKFZUOLAS-UHFFFAOYSA-N 1 0 346.790 2.561 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC001578478640 1090382626 /nfs/dbraw/zinc/38/26/26/1090382626.db2.gz NSHHBFCEEWQCNX-UHFFFAOYSA-N 1 0 345.424 2.617 20 5 EFBDRO COC(=O)/C=C/c1ccc(NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001578798712 1090445050 /nfs/dbraw/zinc/44/50/50/1090445050.db2.gz YYRLKPGTOLZLQP-VQHVLOKHSA-N 1 0 341.367 2.852 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC001579179337 1090536654 /nfs/dbraw/zinc/53/66/54/1090536654.db2.gz HDAUYVHQVRZZNR-LBPRGKRZSA-N 1 0 341.367 2.696 20 5 EFBDRO COc1ccc(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)cc1[N+](=O)[O-] ZINC001579188317 1090539500 /nfs/dbraw/zinc/53/95/00/1090539500.db2.gz FBRNNCGPROMUAB-AWEZNQCLSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001579241731 1090557484 /nfs/dbraw/zinc/55/74/84/1090557484.db2.gz FQXGIRVXHNOQBG-XJKSGUPXSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])c1 ZINC001579242623 1090557679 /nfs/dbraw/zinc/55/76/79/1090557679.db2.gz USIUGVKUCCXUPQ-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1cccc(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001579260128 1090565398 /nfs/dbraw/zinc/56/53/98/1090565398.db2.gz PGIXUFBFHCOVSP-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccccc1[C@H]1C[NH2+]CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC001579306734 1090588026 /nfs/dbraw/zinc/58/80/26/1090588026.db2.gz AFODAMPXGZWZPB-MRXNPFEDSA-N 1 0 331.347 2.893 20 5 EFBDRO CSc1cccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC001579393456 1090604472 /nfs/dbraw/zinc/60/44/72/1090604472.db2.gz VXUFBXNHNRMVJN-CYBMUJFWSA-N 1 0 337.445 2.954 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC001579423304 1090610875 /nfs/dbraw/zinc/61/08/75/1090610875.db2.gz BGUCIACZQLSOCV-RNCFNFMXSA-N 1 0 345.321 2.813 20 5 EFBDRO C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001579482812 1090621212 /nfs/dbraw/zinc/62/12/12/1090621212.db2.gz XYOFKUHZDPEGEX-QMMMGPOBSA-N 1 0 329.759 2.505 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)ccc1[N+](=O)[O-] ZINC001579557069 1090633192 /nfs/dbraw/zinc/63/31/92/1090633192.db2.gz UNUXIVUELYSQEP-HNNXBMFYSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001579605464 1090641079 /nfs/dbraw/zinc/64/10/79/1090641079.db2.gz SFJWHCYWHVUKNX-LLVKDONJSA-N 1 0 348.737 2.675 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC001579604949 1090641207 /nfs/dbraw/zinc/64/12/07/1090641207.db2.gz GSKFKZJMJPPBPH-UHFFFAOYSA-N 1 0 333.775 2.945 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001579604842 1090641279 /nfs/dbraw/zinc/64/12/79/1090641279.db2.gz ADWFTICJIHLPPI-NXEZZACHSA-N 1 0 326.784 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001579605520 1090641862 /nfs/dbraw/zinc/64/18/62/1090641862.db2.gz UJVKYVBROYTTOI-AWEZNQCLSA-N 1 0 325.796 2.627 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001579605755 1090641876 /nfs/dbraw/zinc/64/18/76/1090641876.db2.gz YBHPFYOGLAWQII-SMDDNHRTSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001579608135 1090641940 /nfs/dbraw/zinc/64/19/40/1090641940.db2.gz KPOVKIDJQJURRZ-WFASDCNBSA-N 1 0 335.379 2.647 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC001579605751 1090642005 /nfs/dbraw/zinc/64/20/05/1090642005.db2.gz YBHPFYOGLAWQII-FZMZJTMJSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC001579667569 1090657542 /nfs/dbraw/zinc/65/75/42/1090657542.db2.gz NSTOOIIZQHKXAE-CYBMUJFWSA-N 1 0 334.420 2.925 20 5 EFBDRO Cc1ccc([C@@H]([NH3+])C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001579668476 1090657611 /nfs/dbraw/zinc/65/76/11/1090657611.db2.gz FUGZFBNOAOWHOA-MRXNPFEDSA-N 1 0 347.802 2.915 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001579734268 1090674234 /nfs/dbraw/zinc/67/42/34/1090674234.db2.gz CEPVONYDEWRKMY-UHFFFAOYSA-N 1 0 329.356 2.801 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1C ZINC001579734487 1090674350 /nfs/dbraw/zinc/67/43/50/1090674350.db2.gz GRTTWUSIGFDJBF-ZDUSSCGKSA-N 1 0 340.383 2.675 20 5 EFBDRO [NH3+][C@@H](CC1CC1)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001580122251 1090780253 /nfs/dbraw/zinc/78/02/53/1090780253.db2.gz QCTNNOGTVLEZCM-JOYOIKCWSA-N 1 0 349.284 2.581 20 5 EFBDRO [NH3+][C@@H](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001580128202 1090783177 /nfs/dbraw/zinc/78/31/77/1090783177.db2.gz SEAPJCYTZANNFW-YRYLYKBFSA-N 1 0 339.395 2.684 20 5 EFBDRO [NH3+]C1(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)Cc2ccccc2C1 ZINC001580139729 1090787447 /nfs/dbraw/zinc/78/74/47/1090787447.db2.gz CBJVFTCNAYABQO-UHFFFAOYSA-N 1 0 348.362 2.578 20 5 EFBDRO [NH3+]C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC001580216263 1090815280 /nfs/dbraw/zinc/81/52/80/1090815280.db2.gz XDFJGGSKKWDMEC-QGZVFWFLSA-N 1 0 348.447 2.668 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580286536 1090848783 /nfs/dbraw/zinc/84/87/83/1090848783.db2.gz IKZNEMIXKGVSQB-JTQLQIEISA-N 1 0 345.321 2.815 20 5 EFBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001580288322 1090850073 /nfs/dbraw/zinc/85/00/73/1090850073.db2.gz IJMLNSFDNPNLLV-LLVKDONJSA-N 1 0 346.412 2.529 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001580371991 1090881858 /nfs/dbraw/zinc/88/18/58/1090881858.db2.gz JWNDKOQZNPFEJY-VXGBXAGGSA-N 1 0 328.210 2.717 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001580376301 1090883418 /nfs/dbraw/zinc/88/34/18/1090883418.db2.gz MYNQLYQCFFLKDR-UONOGXRCSA-N 1 0 347.396 2.889 20 5 EFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001580384487 1090884785 /nfs/dbraw/zinc/88/47/85/1090884785.db2.gz GYSLIWBPSDBPPD-HIFRSBDPSA-N 1 0 341.358 2.865 20 5 EFBDRO Nc1cccc2c1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001580459152 1090908113 /nfs/dbraw/zinc/90/81/13/1090908113.db2.gz OSRHBNLJYZZYAN-UHFFFAOYSA-N 1 0 340.383 2.564 20 5 EFBDRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001580522073 1090931163 /nfs/dbraw/zinc/93/11/63/1090931163.db2.gz BFYDGUHTOFLBAB-LLVKDONJSA-N 1 0 331.397 2.782 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001580527652 1090933571 /nfs/dbraw/zinc/93/35/71/1090933571.db2.gz DARGORBLJBTWPA-LBPRGKRZSA-N 1 0 328.372 2.861 20 5 EFBDRO O=C(NC[C@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001580661953 1090979313 /nfs/dbraw/zinc/97/93/13/1090979313.db2.gz WOPAVGLSLCUOLG-CYBMUJFWSA-N 1 0 349.456 2.969 20 5 EFBDRO O=C(Nc1cccc2c1C[NH2+]C2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001580780094 1091006928 /nfs/dbraw/zinc/00/69/28/1091006928.db2.gz IFDZVANJIALRSB-UHFFFAOYSA-N 1 0 349.350 2.636 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@H]4[NH2+]CC[C@@H]43)c2c1 ZINC001580874657 1091031090 /nfs/dbraw/zinc/03/10/90/1091031090.db2.gz HALBXDLBNIMKAL-OLZOCXBDSA-N 1 0 333.779 2.522 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH2+]CC34CCCCC4)nc2c1 ZINC001580875575 1091031480 /nfs/dbraw/zinc/03/14/80/1091031480.db2.gz NQFDJPDNCNDEKM-UHFFFAOYSA-N 1 0 329.404 2.579 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001167582321 1092881249 /nfs/dbraw/zinc/88/12/49/1092881249.db2.gz XNBVZVMJYDPZRQ-UHFFFAOYSA-N 1 0 327.797 2.790 20 5 EFBDRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC001589869949 1093162946 /nfs/dbraw/zinc/16/29/46/1093162946.db2.gz CMDHBPLIMQUYBX-SNVBAGLBSA-N 1 0 344.400 2.730 20 5 EFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590189648 1093299821 /nfs/dbraw/zinc/29/98/21/1093299821.db2.gz WLZKOARPGBBJCT-GRYCIOLGSA-N 1 0 330.392 2.641 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001590307016 1093368024 /nfs/dbraw/zinc/36/80/24/1093368024.db2.gz DAZBMFOTEXHUNL-XUJVJEKNSA-N 1 0 342.403 2.785 20 5 EFBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590849764 1093596235 /nfs/dbraw/zinc/59/62/35/1093596235.db2.gz BVGCHJVWIZVBNM-OCCSQVGLSA-N 1 0 348.432 2.539 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CCCCC1 ZINC001591137265 1093670923 /nfs/dbraw/zinc/67/09/23/1093670923.db2.gz UNXCYMVFNCSTJG-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591769961 1093851623 /nfs/dbraw/zinc/85/16/23/1093851623.db2.gz LDIXVMGTKKEBIM-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592166418 1094011303 /nfs/dbraw/zinc/01/13/03/1094011303.db2.gz MELCDYZGEYSMCN-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001593466994 1094308033 /nfs/dbraw/zinc/30/80/33/1094308033.db2.gz JFCBKWTVJNULJA-UHFFFAOYSA-N 1 0 342.403 2.931 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001593467406 1094310737 /nfs/dbraw/zinc/31/07/37/1094310737.db2.gz PVNUIHAVZMCBKJ-RISCZKNCSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001593467408 1094311067 /nfs/dbraw/zinc/31/10/67/1094311067.db2.gz PVNUIHAVZMCBKJ-SMDDNHRTSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001593482236 1094325902 /nfs/dbraw/zinc/32/59/02/1094325902.db2.gz NOAXDKRPUQZDPH-WFASDCNBSA-N 1 0 342.403 2.930 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC=CC12CCCCC2 ZINC001593481594 1094327676 /nfs/dbraw/zinc/32/76/76/1094327676.db2.gz HYAKDYUFJQXXDD-UHFFFAOYSA-N 1 0 340.387 2.850 20 5 EFBDRO Cc1cc(NC(=N)SCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001167913460 1094689117 /nfs/dbraw/zinc/68/91/17/1094689117.db2.gz YNQUJJJJBNSPSL-UHFFFAOYSA-N 1 0 333.211 2.704 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218449084 1094787979 /nfs/dbraw/zinc/78/79/79/1094787979.db2.gz QPWJJSCLZLPZOQ-JSTDYGSISA-N 1 0 331.141 2.626 20 5 EFBDRO N=C(Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)SCC[NH3+] ZINC001167914003 1095054637 /nfs/dbraw/zinc/05/46/37/1095054637.db2.gz QQSMXCJDFMCZCH-UHFFFAOYSA-N 1 0 347.400 2.607 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1Br ZINC001217980744 1095215811 /nfs/dbraw/zinc/21/58/11/1095215811.db2.gz MTKNZTPTDYUXEB-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1Br ZINC001218119145 1095631282 /nfs/dbraw/zinc/63/12/82/1095631282.db2.gz QXYIOFNCBMYJPQ-STQMWFEESA-N 1 0 327.178 2.878 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000893684296 1095875587 /nfs/dbraw/zinc/87/55/87/1095875587.db2.gz AJADBTQMSGEJEA-UKRRQHHQSA-N 1 0 338.404 2.992 20 5 EFBDRO C[C@H](C1CC1)[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001603435833 1096527553 /nfs/dbraw/zinc/52/75/53/1096527553.db2.gz CKRPZHGEFRXASX-SNVBAGLBSA-N 1 0 328.376 2.538 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603883166 1096655119 /nfs/dbraw/zinc/65/51/19/1096655119.db2.gz XSCXSOAJGYHWMA-UHIISALHSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1(C)C ZINC001603910607 1096668788 /nfs/dbraw/zinc/66/87/88/1096668788.db2.gz JHKVSOBYEANLAH-LLVKDONJSA-N 1 0 330.392 2.643 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1(C)C ZINC001603910608 1096668966 /nfs/dbraw/zinc/66/89/66/1096668966.db2.gz JHKVSOBYEANLAH-NSHDSACASA-N 1 0 330.392 2.643 20 5 EFBDRO CC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604102307 1096738525 /nfs/dbraw/zinc/73/85/25/1096738525.db2.gz AAHGFLBPDFUQGK-LBPRGKRZSA-N 1 0 330.392 2.787 20 5 EFBDRO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC001604794988 1096956973 /nfs/dbraw/zinc/95/69/73/1096956973.db2.gz LJHXVKBEWBUCGH-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001605828614 1097240932 /nfs/dbraw/zinc/24/09/32/1097240932.db2.gz VLDFQEFTLCHBDC-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001605827899 1097241238 /nfs/dbraw/zinc/24/12/38/1097241238.db2.gz FJWQFQXRTNWBHF-SNVBAGLBSA-N 1 0 344.400 2.996 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC001605855546 1097253098 /nfs/dbraw/zinc/25/30/98/1097253098.db2.gz ANKHGTRJNITKIS-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC001605855547 1097253539 /nfs/dbraw/zinc/25/35/39/1097253539.db2.gz ANKHGTRJNITKIS-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914557 1098069859 /nfs/dbraw/zinc/06/98/59/1098069859.db2.gz XJTTYZNPDXUWMY-AWEZNQCLSA-N 1 0 347.415 2.601 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609124514 1098157768 /nfs/dbraw/zinc/15/77/68/1098157768.db2.gz BSTUVAUAOYUUKR-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001609124522 1098158668 /nfs/dbraw/zinc/15/86/68/1098158668.db2.gz CKHIRRMRTFZALY-NSHDSACASA-N 1 0 330.392 2.833 20 5 EFBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609145265 1098168425 /nfs/dbraw/zinc/16/84/25/1098168425.db2.gz IAMOXAASVOEOFN-CQSZACIVSA-N 1 0 330.392 2.833 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001609164019 1098177631 /nfs/dbraw/zinc/17/76/31/1098177631.db2.gz KFUGCUCCENGYCB-SUNKGSAMSA-N 1 0 330.392 2.689 20 5 EFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccnc2c2ncccc12 ZINC001269518306 1098210645 /nfs/dbraw/zinc/21/06/45/1098210645.db2.gz UVLRXIAAQPPWMM-GASCZTMLSA-N 1 0 332.407 2.702 20 5 EFBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609248962 1098222280 /nfs/dbraw/zinc/22/22/80/1098222280.db2.gz GTVMAHWADQEFKS-NWDGAFQWSA-N 1 0 330.392 2.785 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+](C1CC1)C1CCCC1 ZINC001609599857 1098394159 /nfs/dbraw/zinc/39/41/59/1098394159.db2.gz FBTMCJOLTPGGHW-UHFFFAOYSA-N 1 0 328.376 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001609603106 1098395920 /nfs/dbraw/zinc/39/59/20/1098395920.db2.gz ZYUZWRKDNZNJCL-UHFFFAOYSA-N 1 0 342.403 2.931 20 5 EFBDRO C[NH+](C)CCOc1cc(NC2(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001167747235 1098639355 /nfs/dbraw/zinc/63/93/55/1098639355.db2.gz PZZVYVVCWBICRH-UHFFFAOYSA-N 1 0 349.431 2.906 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167753033 1098814211 /nfs/dbraw/zinc/81/42/11/1098814211.db2.gz AURJPCDRCZIUKW-GFCCVEGCSA-N 1 0 332.404 2.515 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000749637901 1099151634 /nfs/dbraw/zinc/15/16/34/1099151634.db2.gz FIWGGSARGOQPGH-LSDHHAIUSA-N 1 0 335.429 2.582 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000749637896 1099152272 /nfs/dbraw/zinc/15/22/72/1099152272.db2.gz FIWGGSARGOQPGH-CABCVRRESA-N 1 0 335.429 2.582 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000843758091 1099413147 /nfs/dbraw/zinc/41/31/47/1099413147.db2.gz KKDQTYOODQLGIQ-UHFFFAOYSA-N 1 0 325.384 2.891 20 5 EFBDRO CC(=O)Nc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001167991612 1099739899 /nfs/dbraw/zinc/73/98/99/1099739899.db2.gz KOEBIFVKQQDGIJ-UHFFFAOYSA-N 1 0 331.307 2.724 20 5 EFBDRO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840153777 1100850052 /nfs/dbraw/zinc/85/00/52/1100850052.db2.gz LSUXXTKATVZEFT-OAHLLOKOSA-N 1 0 331.420 2.625 20 5 EFBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840369410 1101032447 /nfs/dbraw/zinc/03/24/47/1101032447.db2.gz LWPSITJNPNERQF-CQSZACIVSA-N 1 0 326.400 2.888 20 5 EFBDRO COc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001167069832 1101389148 /nfs/dbraw/zinc/38/91/48/1101389148.db2.gz DBFCZQNYTLKDJO-UHFFFAOYSA-N 1 0 340.383 2.771 20 5 EFBDRO C[NH2+]Cc1c(C)nn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c1C ZINC001167098826 1101652814 /nfs/dbraw/zinc/65/28/14/1101652814.db2.gz XBSGPQQJTJPXAL-UHFFFAOYSA-N 1 0 345.737 2.774 20 5 EFBDRO Cc1cccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c1[N+](=O)[O-] ZINC001167370831 1102905056 /nfs/dbraw/zinc/90/50/56/1102905056.db2.gz AHJWFBPHOUTYJF-UHFFFAOYSA-N 1 0 327.384 2.638 20 5 EFBDRO CCC[NH+]1CCN(c2ccc(NCC[N+](=O)[O-])cc2Cl)CC1 ZINC000905315792 1103044149 /nfs/dbraw/zinc/04/41/49/1103044149.db2.gz QVDKTSNJIJNYEO-UHFFFAOYSA-N 1 0 326.828 2.561 20 5 EFBDRO Cc1c(COc2cccc(N3CC[NH2+]CC3)c2)cccc1[N+](=O)[O-] ZINC000905611953 1103413807 /nfs/dbraw/zinc/41/38/07/1103413807.db2.gz ABONNUIEHOMFLC-UHFFFAOYSA-N 1 0 327.384 2.892 20 5 EFBDRO O=[N+]([O-])CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000905657889 1103433501 /nfs/dbraw/zinc/43/35/01/1103433501.db2.gz YZVHEOQEZFEKGC-RBUKOAKNSA-N 1 0 325.412 2.521 20 5 EFBDRO COC(=O)c1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000906172243 1103977043 /nfs/dbraw/zinc/97/70/43/1103977043.db2.gz PWLJLIWDHIXSCN-HNNXBMFYSA-N 1 0 327.340 2.868 20 5 EFBDRO O=[N+]([O-])c1cccnc1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001213199477 1104227306 /nfs/dbraw/zinc/22/73/06/1104227306.db2.gz BCDHJFIKDYBFNQ-UHFFFAOYSA-N 1 0 334.295 2.893 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@@H](O)C2CC2)cc1Br ZINC000898198072 1106277595 /nfs/dbraw/zinc/27/75/95/1106277595.db2.gz AWHJUZMQAYRBAX-SNVBAGLBSA-N 1 0 335.223 2.669 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCSc3ccncc3)CC2)cc1 ZINC000929155050 1106345773 /nfs/dbraw/zinc/34/57/73/1106345773.db2.gz WUTQWGMOCDNKHT-UHFFFAOYSA-N 1 0 344.440 2.904 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989655849 1106524117 /nfs/dbraw/zinc/52/41/17/1106524117.db2.gz IYPMOKRGMRIAMY-UHFFFAOYSA-N 1 0 342.399 2.579 20 5 EFBDRO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1[N+](=O)[O-] ZINC000903083298 1106970021 /nfs/dbraw/zinc/97/00/21/1106970021.db2.gz DIFZBIPOSUFDBG-VHRNVKJDSA-N 1 0 331.416 2.851 20 5 EFBDRO Cc1ccoc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989950007 1107026995 /nfs/dbraw/zinc/02/69/95/1107026995.db2.gz SWVAOPWYZWOFLL-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1OC ZINC000903300169 1107116748 /nfs/dbraw/zinc/11/67/48/1107116748.db2.gz WIANHSSAZSJOKH-GZBFAFLISA-N 1 0 340.445 2.859 20 5 EFBDRO O=C(C1=CCCC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000991031812 1107328838 /nfs/dbraw/zinc/32/88/38/1107328838.db2.gz YCUBDYOBHXKGFZ-UHFFFAOYSA-N 1 0 335.429 2.847 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001168767583 1107619135 /nfs/dbraw/zinc/61/91/35/1107619135.db2.gz GPWIHNJBGLVAIO-UHFFFAOYSA-N 1 0 331.214 2.752 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)c1 ZINC000904420340 1107933680 /nfs/dbraw/zinc/93/36/80/1107933680.db2.gz KYOPIISJDUQKQW-UONOGXRCSA-N 1 0 344.440 2.760 20 5 EFBDRO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905061169 1108384177 /nfs/dbraw/zinc/38/41/77/1108384177.db2.gz QKLJMWGISXLDMV-CQSZACIVSA-N 1 0 333.354 2.955 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990612850 1108387467 /nfs/dbraw/zinc/38/74/67/1108387467.db2.gz WVKKOXHXSNLFSS-YVMONPNESA-N 1 0 329.400 2.642 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2cc(Br)ccc2[nH]c1=O ZINC001233987604 1108424509 /nfs/dbraw/zinc/42/45/09/1108424509.db2.gz ICQGJXCIMCGJCM-JTQLQIEISA-O 1 0 340.241 2.764 20 5 EFBDRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]CC[N+](=O)[O-] ZINC000905218816 1108528589 /nfs/dbraw/zinc/52/85/89/1108528589.db2.gz JGHYCIOROULXAT-CQSZACIVSA-N 1 0 345.237 2.653 20 5 EFBDRO O=C(CC1CCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990641412 1108530090 /nfs/dbraw/zinc/53/00/90/1108530090.db2.gz PKVLYOLRXPMCOT-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000905236180 1108559237 /nfs/dbraw/zinc/55/92/37/1108559237.db2.gz DUBGFQNXEPXNIL-LLVKDONJSA-N 1 0 328.237 2.719 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@]12CC[N@H+](C1)CCC2 ZINC000898462893 1108954530 /nfs/dbraw/zinc/95/45/30/1108954530.db2.gz ULNLLXZWFPFDGM-KRWDZBQOSA-N 1 0 326.356 2.567 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462147 1108954829 /nfs/dbraw/zinc/95/48/29/1108954829.db2.gz NDDWATAROZWYKS-HNNXBMFYSA-N 1 0 328.372 2.956 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCC[C@@]23CC[NH2+]C3)n1 ZINC001212122338 1109094582 /nfs/dbraw/zinc/09/45/82/1109094582.db2.gz QUDPBFLEHWLSBU-BZNIZROVSA-N 1 0 347.350 2.816 20 5 EFBDRO COc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1C[C@@H](C[NH3+])CO ZINC000899323020 1109282521 /nfs/dbraw/zinc/28/25/21/1109282521.db2.gz LZMIUHDKEFTZOZ-NSHDSACASA-N 1 0 334.347 2.519 20 5 EFBDRO Cc1nccn1C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842318663 1109445590 /nfs/dbraw/zinc/44/55/90/1109445590.db2.gz JPWCTCHWYQBBRY-KNXALSJPSA-N 1 0 329.356 2.835 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843808302 1109449080 /nfs/dbraw/zinc/44/90/80/1109449080.db2.gz FGSUQVQPXRRWPH-CYBMUJFWSA-N 1 0 337.395 2.846 20 5 EFBDRO CC(C)Oc1cc(C(=O)O[C@@H]2CCN(CCF)C2)ccc1[N+](=O)[O-] ZINC000842347118 1109531299 /nfs/dbraw/zinc/53/12/99/1109531299.db2.gz OFAUEZFMHPEHED-CYBMUJFWSA-N 1 0 340.351 2.583 20 5 EFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000899909556 1109541959 /nfs/dbraw/zinc/54/19/59/1109541959.db2.gz RYRUZTBWBVFFSJ-UHFFFAOYSA-N 1 0 329.759 2.554 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CC[N@H+](C)CC ZINC001106841429 1111903116 /nfs/dbraw/zinc/90/31/16/1111903116.db2.gz FPKCCVUKGHOQTP-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000916836062 1111989858 /nfs/dbraw/zinc/98/98/58/1111989858.db2.gz INJSSILDHQZREU-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001106922145 1118578213 /nfs/dbraw/zinc/57/82/13/1118578213.db2.gz NXAFRDQXSQKKPF-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001106951401 1118680493 /nfs/dbraw/zinc/68/04/93/1118680493.db2.gz IBMUKPOKXVYPLI-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO COCC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000112331464 1120252705 /nfs/dbraw/zinc/25/27/05/1120252705.db2.gz CLTGDUVIWDOACK-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000097935776 219059777 /nfs/dbraw/zinc/05/97/77/219059777.db2.gz CRKDGWINFGWNFT-UHFFFAOYSA-N 1 0 343.225 2.673 20 5 EFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189671441 529431926 /nfs/dbraw/zinc/43/19/26/529431926.db2.gz MWHJQYNPDYXRLY-QGZVFWFLSA-N 1 0 331.372 2.987 20 5 EFBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000187630792 529424597 /nfs/dbraw/zinc/42/45/97/529424597.db2.gz UZGXFKIHZDMEPC-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177725808 282190515 /nfs/dbraw/zinc/19/05/15/282190515.db2.gz LKLJYYVYGQMDSS-GHMZBOCLSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000187630807 529552277 /nfs/dbraw/zinc/55/22/77/529552277.db2.gz UZGXFKIHZDMEPC-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189671456 529562462 /nfs/dbraw/zinc/56/24/62/529562462.db2.gz MWHJQYNPDYXRLY-KRWDZBQOSA-N 1 0 331.372 2.987 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175905825 231533778 /nfs/dbraw/zinc/53/37/78/231533778.db2.gz MLNJVDCKQOEYDJ-DZGCQCFKSA-N 1 0 348.447 2.995 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000172496917 282252922 /nfs/dbraw/zinc/25/29/22/282252922.db2.gz HJAXWKGZMRIPSH-KRWDZBQOSA-N 1 0 348.447 2.653 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186775489 529903091 /nfs/dbraw/zinc/90/30/91/529903091.db2.gz KEJCUJZABONNQQ-UHFFFAOYSA-N 1 0 330.388 2.776 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(F)(F)F)c1 ZINC000174822902 529939531 /nfs/dbraw/zinc/93/95/31/529939531.db2.gz PKQIUTJTUSLFGD-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177593071 231935850 /nfs/dbraw/zinc/93/58/50/231935850.db2.gz HDOMIDUMDNPDSC-WDEREUQCSA-N 1 0 325.796 2.851 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000129063317 530064397 /nfs/dbraw/zinc/06/43/97/530064397.db2.gz QJLLBKVLDWZMFM-NHYWBVRUSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000358765365 535023579 /nfs/dbraw/zinc/02/35/79/535023579.db2.gz XXOUAJCOMUWVJK-KRWDZBQOSA-N 1 0 348.447 2.862 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101912112 219172608 /nfs/dbraw/zinc/17/26/08/219172608.db2.gz QXYCVMFKLBYDRT-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000103135171 219260530 /nfs/dbraw/zinc/26/05/30/219260530.db2.gz RTHWQNTYRLDHSE-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)o1 ZINC000179574907 233177933 /nfs/dbraw/zinc/17/79/33/233177933.db2.gz GPVUGDUEKGRSBG-AWEZNQCLSA-N 1 0 346.383 2.828 20 5 EFBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179733923 233381746 /nfs/dbraw/zinc/38/17/46/233381746.db2.gz JWJZIKHOAYWFGP-MRXNPFEDSA-N 1 0 345.399 2.896 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000181356020 234161735 /nfs/dbraw/zinc/16/17/35/234161735.db2.gz HZZVCJVEVIAGJX-QZTJIDSGSA-N 1 0 344.415 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000181790839 234323870 /nfs/dbraw/zinc/32/38/70/234323870.db2.gz SBBWIKZTQUPAAH-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181839563 234345820 /nfs/dbraw/zinc/34/58/20/234345820.db2.gz VTBHOWFIVOCWQV-OAHLLOKOSA-N 1 0 341.411 2.913 20 5 EFBDRO COc1cc(C[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])cc1OC ZINC000353719510 146544806 /nfs/dbraw/zinc/54/48/06/146544806.db2.gz ZWWDWRDQWBBRKI-UHFFFAOYSA-N 1 0 326.393 2.859 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000348306976 283061721 /nfs/dbraw/zinc/06/17/21/283061721.db2.gz NLSNWKATYWBOTK-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000183432949 235073947 /nfs/dbraw/zinc/07/39/47/235073947.db2.gz RMHJZAMLIXJRJX-OAHLLOKOSA-N 1 0 331.372 2.807 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@]2(CO)CCOC2)s1 ZINC000184182802 235325920 /nfs/dbraw/zinc/32/59/20/235325920.db2.gz FRBKCTRCBOWJAL-MRXNPFEDSA-N 1 0 334.397 2.564 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157246243 283162340 /nfs/dbraw/zinc/16/23/40/283162340.db2.gz VBSNZECEUMWDMB-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342954404 283162695 /nfs/dbraw/zinc/16/26/95/283162695.db2.gz BSKQZGCOKSBVTR-DOMZBBRYSA-N 1 0 342.399 2.632 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000164255639 283163350 /nfs/dbraw/zinc/16/33/50/283163350.db2.gz NAXRQTYSIPUYLE-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]12 ZINC000185087764 235578870 /nfs/dbraw/zinc/57/88/70/235578870.db2.gz LVSHNRXXSQYADL-OASPWFOLSA-N 1 0 331.397 2.619 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000186940631 236071767 /nfs/dbraw/zinc/07/17/67/236071767.db2.gz SJJHNKVTEFGOKE-CQSZACIVSA-N 1 0 348.447 2.646 20 5 EFBDRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192981230 283383658 /nfs/dbraw/zinc/38/36/58/283383658.db2.gz DJNLHMSZFXHTPF-GOSISDBHSA-N 1 0 339.395 2.903 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129244371 223036387 /nfs/dbraw/zinc/03/63/87/223036387.db2.gz MWYKRKLPWCODJW-DOMZBBRYSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129258086 223037394 /nfs/dbraw/zinc/03/73/94/223037394.db2.gz ZQTGPBWGHOGLPA-XJKSGUPXSA-N 1 0 340.445 2.879 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129281137 223039427 /nfs/dbraw/zinc/03/94/27/223039427.db2.gz UUDQVUURSBHNNH-GFCCVEGCSA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccnc1 ZINC000129698585 223082315 /nfs/dbraw/zinc/08/23/15/223082315.db2.gz KQVZAZBENMWAJG-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000130734478 223173214 /nfs/dbraw/zinc/17/32/14/223173214.db2.gz KXOKLLQENQJCOB-UHFFFAOYSA-N 1 0 332.356 2.724 20 5 EFBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000174868252 291260320 /nfs/dbraw/zinc/26/03/20/291260320.db2.gz VRGZIQKZCXORFZ-CJNGLKHVSA-N 1 0 332.429 2.970 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072823530 216310653 /nfs/dbraw/zinc/31/06/53/216310653.db2.gz AWIFQWDJHFASPJ-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072835806 216313426 /nfs/dbraw/zinc/31/34/26/216313426.db2.gz METJBPMHMGMLMK-OAHLLOKOSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979071 216336421 /nfs/dbraw/zinc/33/64/21/216336421.db2.gz DLZWWBMBOFQAHU-OAHLLOKOSA-N 1 0 349.431 2.979 20 5 EFBDRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308579 240100011 /nfs/dbraw/zinc/10/00/11/240100011.db2.gz RLVOENDKXZOMMS-MRXNPFEDSA-N 1 0 340.445 2.777 20 5 EFBDRO COc1cccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000194379459 240151865 /nfs/dbraw/zinc/15/18/65/240151865.db2.gz ODMZZUDGRIGGTK-AWEZNQCLSA-N 1 0 337.420 2.700 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132661228 223352044 /nfs/dbraw/zinc/35/20/44/223352044.db2.gz USJKBZWJNDJQDH-FZMZJTMJSA-N 1 0 335.404 2.858 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000195314987 240926264 /nfs/dbraw/zinc/92/62/64/240926264.db2.gz RGXPJIKAHKHVJS-XJKCOSOUSA-N 1 0 331.416 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000132898886 223371852 /nfs/dbraw/zinc/37/18/52/223371852.db2.gz HGQVRMXGDUEDFW-IAGOWNOFSA-N 1 0 337.395 2.914 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000226357420 242102283 /nfs/dbraw/zinc/10/22/83/242102283.db2.gz LPXJZNZQHUTZHZ-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236812232 242365757 /nfs/dbraw/zinc/36/57/57/242365757.db2.gz NRPBUYJQSBELDT-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236847801 242379995 /nfs/dbraw/zinc/37/99/95/242379995.db2.gz BZHKYEOHXJWYFM-JQWIXIFHSA-N 1 0 343.811 2.649 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411204190 242747006 /nfs/dbraw/zinc/74/70/06/242747006.db2.gz UWIUUPREQBSJJO-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412002931 243066281 /nfs/dbraw/zinc/06/62/81/243066281.db2.gz VLFMFIZCROUWIY-KRWDZBQOSA-N 1 0 342.399 2.645 20 5 EFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000411894269 243020270 /nfs/dbraw/zinc/02/02/70/243020270.db2.gz QMHRRFNAGQGWFW-AEFFLSMTSA-N 1 0 338.367 2.873 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411919668 243028441 /nfs/dbraw/zinc/02/84/41/243028441.db2.gz BIPLAZXHQOWPJB-DOTOQJQBSA-N 1 0 328.368 2.782 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000411936502 243032514 /nfs/dbraw/zinc/03/25/14/243032514.db2.gz CHUXLYDCVGGLFB-DIFFPNOSSA-N 1 0 336.388 2.755 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411943019 243038395 /nfs/dbraw/zinc/03/83/95/243038395.db2.gz MLMJDRPXTDTTGO-FUHWJXTLSA-N 1 0 328.368 2.782 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948610 243039602 /nfs/dbraw/zinc/03/96/02/243039602.db2.gz NQMSSOYTEBLULZ-GTNSWQLSSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000411965453 243049009 /nfs/dbraw/zinc/04/90/09/243049009.db2.gz FKCJEIKDEOZQRH-YVEFUNNKSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972840 243050138 /nfs/dbraw/zinc/05/01/38/243050138.db2.gz QRQPJWHFECHTJS-GTNSWQLSSA-N 1 0 346.387 2.938 20 5 EFBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000412025257 243078569 /nfs/dbraw/zinc/07/85/69/243078569.db2.gz PPNWLPOECHPJHO-ZDUSSCGKSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000412059186 243105719 /nfs/dbraw/zinc/10/57/19/243105719.db2.gz WPVNAWMSBMTIKY-HNNXBMFYSA-N 1 0 347.415 2.580 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245517567 243120928 /nfs/dbraw/zinc/12/09/28/243120928.db2.gz GXPSBBMWUJAUTP-LSDHHAIUSA-N 1 0 329.404 2.968 20 5 EFBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000412141696 243166203 /nfs/dbraw/zinc/16/62/03/243166203.db2.gz WVWDDVOYRXAOJY-UHOFOFEASA-N 1 0 333.432 2.791 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246149368 243202996 /nfs/dbraw/zinc/20/29/96/243202996.db2.gz CSZIHUSJHDUTTI-IJEWVQPXSA-N 1 0 348.447 2.946 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000412245369 243225594 /nfs/dbraw/zinc/22/55/94/243225594.db2.gz IAHJFIBLBFIEBS-DLBZAZTESA-N 1 0 345.443 2.937 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412340761 243277475 /nfs/dbraw/zinc/27/74/75/243277475.db2.gz DOYIZCXRUGIPCK-HNNXBMFYSA-N 1 0 349.431 2.986 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247159832 243381677 /nfs/dbraw/zinc/38/16/77/243381677.db2.gz AKJQYBOTMCFGCB-IINYFYTJSA-N 1 0 325.796 2.660 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000413230659 243553436 /nfs/dbraw/zinc/55/34/36/243553436.db2.gz SCSYJGWCTHXDAS-UHFFFAOYSA-N 1 0 331.351 2.852 20 5 EFBDRO C[S@](=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183120796 291453219 /nfs/dbraw/zinc/45/32/19/291453219.db2.gz OVDHFILXVKWQQR-HXOBKFHXSA-N 1 0 332.425 2.847 20 5 EFBDRO CC(C)C[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000253609967 244036027 /nfs/dbraw/zinc/03/60/27/244036027.db2.gz MWOUOYDBINXZOE-UHFFFAOYSA-N 1 0 345.403 2.776 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414266884 244068517 /nfs/dbraw/zinc/06/85/17/244068517.db2.gz SJGMFMYNGLSEAM-GKLJAUDBSA-N 1 0 344.415 2.821 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414281257 244073039 /nfs/dbraw/zinc/07/30/39/244073039.db2.gz MIXWMIBQGAPXCD-RFGFWPKPSA-N 1 0 335.404 2.715 20 5 EFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414338485 244094723 /nfs/dbraw/zinc/09/47/23/244094723.db2.gz ISSMYQSDSLJVJL-LZWOXQAQSA-N 1 0 333.432 2.809 20 5 EFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414526166 244210339 /nfs/dbraw/zinc/21/03/39/244210339.db2.gz KRBGUTSOUFRYNX-WMZOPIPTSA-N 1 0 346.431 2.880 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCCC1 ZINC000414615315 244254926 /nfs/dbraw/zinc/25/49/26/244254926.db2.gz IJLCABIYSUSGCB-UHFFFAOYSA-N 1 0 340.343 2.559 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414655786 244278158 /nfs/dbraw/zinc/27/81/58/244278158.db2.gz HJUYIYNSTQKIJY-XJKSGUPXSA-N 1 0 332.404 2.981 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000414704414 244298253 /nfs/dbraw/zinc/29/82/53/244298253.db2.gz NFTXJJHNJHQIJV-KBPBESRZSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414666454 244283777 /nfs/dbraw/zinc/28/37/77/244283777.db2.gz WLEQUHYZHSMWAJ-ZIAGYGMSSA-N 1 0 332.404 2.757 20 5 EFBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414765786 244333741 /nfs/dbraw/zinc/33/37/41/244333741.db2.gz GEKVGLMDODSQKK-QGZVFWFLSA-N 1 0 333.363 2.988 20 5 EFBDRO Cc1c(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000414705972 244300165 /nfs/dbraw/zinc/30/01/65/244300165.db2.gz NXIGGXGIHCMIQK-MRXNPFEDSA-N 1 0 340.383 2.912 20 5 EFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415429080 244421589 /nfs/dbraw/zinc/42/15/89/244421589.db2.gz ATEXJCALOSPEMP-DTWKUNHWSA-N 1 0 346.309 2.863 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000449067259 296148406 /nfs/dbraw/zinc/14/84/06/296148406.db2.gz JVHQXJVKMSNPGA-QWHCGFSZSA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261793505 244684215 /nfs/dbraw/zinc/68/42/15/244684215.db2.gz MDFHJJYXXSRNAZ-YRGRVCCFSA-N 1 0 337.445 2.661 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261801089 244687108 /nfs/dbraw/zinc/68/71/08/244687108.db2.gz LBLQFMFYGBCXAS-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000262493863 245003109 /nfs/dbraw/zinc/00/31/09/245003109.db2.gz BDUXDMLPQZNQQW-MRXNPFEDSA-N 1 0 342.399 2.730 20 5 EFBDRO C[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417143110 245039897 /nfs/dbraw/zinc/03/98/97/245039897.db2.gz ULIYIRVUHRVHCC-AWEZNQCLSA-N 1 0 342.399 2.826 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262586995 245046869 /nfs/dbraw/zinc/04/68/69/245046869.db2.gz WNVKUISQLWIWMY-LLVKDONJSA-N 1 0 325.434 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCOCC1)CCCC2 ZINC000417297930 245071459 /nfs/dbraw/zinc/07/14/59/245071459.db2.gz JSIBYHMTHKXNKV-SFHVURJKSA-N 1 0 333.432 2.674 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418328782 245123666 /nfs/dbraw/zinc/12/36/66/245123666.db2.gz AXDQKTBANXDQCB-UKRRQHHQSA-N 1 0 346.431 2.657 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418345379 245129150 /nfs/dbraw/zinc/12/91/50/245129150.db2.gz PDTHTDHOLLBLGH-HOCLYGCPSA-N 1 0 348.447 2.903 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418348051 245131502 /nfs/dbraw/zinc/13/15/02/245131502.db2.gz QYSNGVNZBPRQLI-KGLIPLIRSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262775275 245171195 /nfs/dbraw/zinc/17/11/95/245171195.db2.gz WEMVJBIVKGCXJL-IAQYHMDHSA-N 1 0 332.404 2.511 20 5 EFBDRO CC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]CC1 ZINC000418519130 245181358 /nfs/dbraw/zinc/18/13/58/245181358.db2.gz OARUSEKHJJOUTC-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418434770 245157107 /nfs/dbraw/zinc/15/71/07/245157107.db2.gz FPGAIFUXGXJVSW-HZPDHXFCSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262764169 245167623 /nfs/dbraw/zinc/16/76/23/245167623.db2.gz RORKZXRMWMMWRL-SLEUVZQESA-N 1 0 337.445 2.804 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418583427 245201633 /nfs/dbraw/zinc/20/16/33/245201633.db2.gz WKNCQZHEKYFONX-HZPDHXFCSA-N 1 0 346.431 2.626 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418583428 245202306 /nfs/dbraw/zinc/20/23/06/245202306.db2.gz WKNCQZHEKYFONX-JKSUJKDBSA-N 1 0 346.431 2.626 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263024428 245302135 /nfs/dbraw/zinc/30/21/35/245302135.db2.gz RFZYZUMEILLATD-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H](CC)OC)CC2)ccc1[N+](=O)[O-] ZINC000419293565 245371997 /nfs/dbraw/zinc/37/19/97/245371997.db2.gz NRQDKQNBGQZLEX-OAHLLOKOSA-N 1 0 337.420 2.541 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110351112 220031567 /nfs/dbraw/zinc/03/15/67/220031567.db2.gz DKROFCFHGMCPAZ-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419380586 245394678 /nfs/dbraw/zinc/39/46/78/245394678.db2.gz UYBMYZVTYHFFFB-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985446882 724381461 /nfs/dbraw/zinc/38/14/61/724381461.db2.gz FTTYRMWHDUJZQD-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO O=C(c1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000072240594 296183030 /nfs/dbraw/zinc/18/30/30/296183030.db2.gz UXSBEFMOYGYLAH-UHFFFAOYSA-N 1 0 346.431 2.729 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000420393993 245666684 /nfs/dbraw/zinc/66/66/84/245666684.db2.gz ZIULPJLHXVXHLL-FUHWJXTLSA-N 1 0 345.374 2.539 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000081223940 217370970 /nfs/dbraw/zinc/37/09/70/217370970.db2.gz KWKGRMQJGUQIKP-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000081363600 217388930 /nfs/dbraw/zinc/38/89/30/217388930.db2.gz BEXCTNYBZCVANR-GFCCVEGCSA-N 1 0 325.434 2.769 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264135367 246095737 /nfs/dbraw/zinc/09/57/37/246095737.db2.gz ZGDFBDACBBBOBY-UHFFFAOYSA-N 1 0 331.372 2.755 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150819730 223744834 /nfs/dbraw/zinc/74/48/34/223744834.db2.gz QFFZQVAFZATDEP-CYBMUJFWSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3CO)o2)c1 ZINC000264162947 246125362 /nfs/dbraw/zinc/12/53/62/246125362.db2.gz GCEFWIBIGSBADO-HNNXBMFYSA-N 1 0 331.372 2.639 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000421781322 246112607 /nfs/dbraw/zinc/11/26/07/246112607.db2.gz AJMZAKMMPTVHCF-HNNXBMFYSA-N 1 0 333.432 2.919 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421854152 246141666 /nfs/dbraw/zinc/14/16/66/246141666.db2.gz KBVZVDVXPDQWFF-FRFSOERESA-N 1 0 345.443 2.797 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000421893533 246153759 /nfs/dbraw/zinc/15/37/59/246153759.db2.gz MIAJIAAJPBUPHO-HNNXBMFYSA-N 1 0 331.416 2.958 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000264702939 246800430 /nfs/dbraw/zinc/80/04/30/246800430.db2.gz CKMBMSVXAMXZPH-UHFFFAOYSA-N 1 0 330.388 2.693 20 5 EFBDRO Cc1cc(N2CCC[C@H](n3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425270560 247022762 /nfs/dbraw/zinc/02/27/62/247022762.db2.gz AIIRCJJBXVPWMZ-AWEZNQCLSA-N 1 0 338.371 2.884 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000425356074 247055892 /nfs/dbraw/zinc/05/58/92/247055892.db2.gz VOUAEHABTRQUTC-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000425274547 247024307 /nfs/dbraw/zinc/02/43/07/247024307.db2.gz DIKQVOAISNBGHR-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264916089 247040692 /nfs/dbraw/zinc/04/06/92/247040692.db2.gz OPGADVVLALGDFZ-UHFFFAOYSA-N 1 0 336.436 2.635 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000425417783 247077354 /nfs/dbraw/zinc/07/73/54/247077354.db2.gz IHOFAJUTZATDQW-FZMZJTMJSA-N 1 0 343.221 2.950 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000425415193 247077853 /nfs/dbraw/zinc/07/78/53/247077853.db2.gz FHTOENRNPISBRE-SNVBAGLBSA-N 1 0 329.194 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264952143 247080479 /nfs/dbraw/zinc/08/04/79/247080479.db2.gz KWIITDLGNBZKOZ-UHFFFAOYSA-N 1 0 343.383 2.837 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264997021 247121968 /nfs/dbraw/zinc/12/19/68/247121968.db2.gz CYDKYLPNYNNHIF-KBPBESRZSA-N 1 0 334.420 2.650 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425684349 247167382 /nfs/dbraw/zinc/16/73/82/247167382.db2.gz NADNEZXQHBHOQW-XJKSGUPXSA-N 1 0 332.404 2.715 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(F)(F)C1 ZINC000425929520 247214970 /nfs/dbraw/zinc/21/49/70/247214970.db2.gz UTUDMGHZROAJSO-JTQLQIEISA-N 1 0 327.331 2.947 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474046 247285116 /nfs/dbraw/zinc/28/51/16/247285116.db2.gz ZAJPZAALOQARBI-SWLSCSKDSA-N 1 0 333.388 2.806 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCOCC2)s1 ZINC000265207007 247297926 /nfs/dbraw/zinc/29/79/26/247297926.db2.gz CFTMPUCXPLVEQA-UHFFFAOYSA-N 1 0 348.424 2.954 20 5 EFBDRO Cc1ccnc(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000265163219 247260979 /nfs/dbraw/zinc/26/09/79/247260979.db2.gz FJKTYHRLVHFMIG-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426321366 247261867 /nfs/dbraw/zinc/26/18/67/247261867.db2.gz CHXAOAVRXOEYEK-QWHCGFSZSA-N 1 0 333.392 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)cs2)c1 ZINC000427127570 247319597 /nfs/dbraw/zinc/31/95/97/247319597.db2.gz GCKMMMXNOHVDOO-BBRMVZONSA-N 1 0 344.440 2.902 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)cs2)c1 ZINC000427127571 247320057 /nfs/dbraw/zinc/32/00/57/247320057.db2.gz GCKMMMXNOHVDOO-CJNGLKHVSA-N 1 0 344.440 2.902 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000265309251 247392239 /nfs/dbraw/zinc/39/22/39/247392239.db2.gz ISDGACJXELQLCQ-CABCVRRESA-N 1 0 337.807 2.534 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCOC(C)C ZINC000265855819 247855941 /nfs/dbraw/zinc/85/59/41/247855941.db2.gz IZKMMEKHTWCCLC-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000432044214 247967096 /nfs/dbraw/zinc/96/70/96/247967096.db2.gz AMSXISUBVUFPRN-LSDHHAIUSA-N 1 0 349.431 2.613 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000265993172 248005856 /nfs/dbraw/zinc/00/58/56/248005856.db2.gz IXYIKEMQDUATDU-KRWDZBQOSA-N 1 0 339.395 2.528 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265993901 248007679 /nfs/dbraw/zinc/00/76/79/248007679.db2.gz MWEQJJMAXNUOIP-CZUORRHYSA-N 1 0 331.416 2.568 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433074020 248011427 /nfs/dbraw/zinc/01/14/27/248011427.db2.gz CFQUMCQJJLSYGF-KRWDZBQOSA-N 1 0 330.384 2.639 20 5 EFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCSC1 ZINC000433181717 248024318 /nfs/dbraw/zinc/02/43/18/248024318.db2.gz KMPDFECTCIGQIO-HNNXBMFYSA-N 1 0 340.445 2.947 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433184830 248025050 /nfs/dbraw/zinc/02/50/50/248025050.db2.gz XYXMANJVFAWWJK-CYBMUJFWSA-N 1 0 330.837 2.938 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000266012231 248028347 /nfs/dbraw/zinc/02/83/47/248028347.db2.gz QCHXVEKBGPNILM-RKLWJJNISA-N 1 0 347.415 2.633 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000266012229 248028561 /nfs/dbraw/zinc/02/85/61/248028561.db2.gz QCHXVEKBGPNILM-OJDYBEQGSA-N 1 0 347.415 2.633 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433811943 248092528 /nfs/dbraw/zinc/09/25/28/248092528.db2.gz MHWNUJAJKKUFRU-OAHLLOKOSA-N 1 0 326.400 2.994 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000266098133 248095365 /nfs/dbraw/zinc/09/53/65/248095365.db2.gz RAEXTHWQRRYQKW-YPMHNXCESA-N 1 0 330.388 2.631 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000266169964 248145869 /nfs/dbraw/zinc/14/58/69/248145869.db2.gz QQLBOSFWIAJMCS-OAHLLOKOSA-N 1 0 349.431 2.697 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000434507357 248161716 /nfs/dbraw/zinc/16/17/16/248161716.db2.gz HQXHVXODGPZJAU-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000433935336 248105886 /nfs/dbraw/zinc/10/58/86/248105886.db2.gz VCTNYADBVWGFAI-BFVRRIQPSA-N 1 0 342.399 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1OC(F)F ZINC000266282260 248221890 /nfs/dbraw/zinc/22/18/90/248221890.db2.gz UMFFAMZBZLVOSG-GFCCVEGCSA-N 1 0 325.315 2.647 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)[NH2+]1 ZINC000435378967 248231939 /nfs/dbraw/zinc/23/19/39/248231939.db2.gz HGFGOSLPQIYQRV-VXGBXAGGSA-N 1 0 332.429 2.901 20 5 EFBDRO C[C@H]1[NH2+]CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000435381994 248234425 /nfs/dbraw/zinc/23/44/25/248234425.db2.gz ZGMSZPHCXBZGKZ-NEPJUHHUSA-N 1 0 332.429 2.901 20 5 EFBDRO Cc1ncsc1CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000435429806 248239988 /nfs/dbraw/zinc/23/99/88/248239988.db2.gz ZRDJEFPYWQKFRF-HNNXBMFYSA-N 1 0 346.456 2.971 20 5 EFBDRO COc1ccc(OCCN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266565676 248362684 /nfs/dbraw/zinc/36/26/84/248362684.db2.gz ZMDODFSWYIISES-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000266644042 248395374 /nfs/dbraw/zinc/39/53/74/248395374.db2.gz VOICUWZZKFBYLC-PBHICJAKSA-N 1 0 336.388 2.755 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000266644046 248395386 /nfs/dbraw/zinc/39/53/86/248395386.db2.gz VOICUWZZKFBYLC-RHSMWYFYSA-N 1 0 336.388 2.755 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520270 284678118 /nfs/dbraw/zinc/67/81/18/284678118.db2.gz NQZIGQPAGQDKPU-RHSMWYFYSA-N 1 0 345.447 2.738 20 5 EFBDRO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000009917234 211133228 /nfs/dbraw/zinc/13/32/28/211133228.db2.gz AFBSQZCWBKTZJZ-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000093134030 218195258 /nfs/dbraw/zinc/19/52/58/218195258.db2.gz ZFNGHXCYIHJSJH-OAHLLOKOSA-N 1 0 341.415 2.821 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434345 218226147 /nfs/dbraw/zinc/22/61/47/218226147.db2.gz OYTFNQJALNURPF-SECBINFHSA-N 1 0 329.198 2.554 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093482093 218228717 /nfs/dbraw/zinc/22/87/17/218228717.db2.gz QCVCYSWWUJDLID-DYVFJYSZSA-N 1 0 344.415 2.731 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000443953928 250240370 /nfs/dbraw/zinc/24/03/70/250240370.db2.gz YTRHUZOUZDWBMD-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)nc2c1 ZINC000444685646 250327932 /nfs/dbraw/zinc/32/79/32/250327932.db2.gz OWKJZKDMMMIMNU-GDBMZVCRSA-N 1 0 340.387 2.941 20 5 EFBDRO C[NH+](C)CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444589269 250314185 /nfs/dbraw/zinc/31/41/85/250314185.db2.gz IALLAGUUYCHHAA-UHFFFAOYSA-N 1 0 331.420 2.635 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000444619636 250317470 /nfs/dbraw/zinc/31/74/70/250317470.db2.gz YYIDUBFSOUOMCM-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444648766 250322010 /nfs/dbraw/zinc/32/20/10/250322010.db2.gz KIYVKPUCAKRSLG-AWEZNQCLSA-N 1 0 343.431 2.635 20 5 EFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715911 250332476 /nfs/dbraw/zinc/33/24/76/250332476.db2.gz NWQNEVIUDXNEKB-QGZVFWFLSA-N 1 0 332.404 2.844 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CCO)CCCC2)n1 ZINC000447561286 250577525 /nfs/dbraw/zinc/57/75/25/250577525.db2.gz HIJYFIVTJCMXNI-HUUCEWRRSA-N 1 0 336.436 2.807 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+]4CCCC4)C3)cc2N1 ZINC000365394661 284816206 /nfs/dbraw/zinc/81/62/06/284816206.db2.gz YMINNWADOOYVNA-CQSZACIVSA-N 1 0 344.415 2.544 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000449069070 250901189 /nfs/dbraw/zinc/90/11/89/250901189.db2.gz VTWLJEVWOIIOCD-HIFRSBDPSA-N 1 0 328.368 2.955 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449182594 250943532 /nfs/dbraw/zinc/94/35/32/250943532.db2.gz BPMYVCYLNXEYJN-RYUDHWBXSA-N 1 0 337.807 2.710 20 5 EFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449458635 251032949 /nfs/dbraw/zinc/03/29/49/251032949.db2.gz WLRNTXNVDTTXPH-MOVXZBDNSA-N 1 0 348.399 2.510 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000267413251 251037513 /nfs/dbraw/zinc/03/75/13/251037513.db2.gz KTATXFZBCUAJKS-HIFRSBDPSA-N 1 0 343.383 2.828 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267417961 251039747 /nfs/dbraw/zinc/03/97/47/251039747.db2.gz JTWCFVQJOFMWSV-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1O ZINC000449508386 251047676 /nfs/dbraw/zinc/04/76/76/251047676.db2.gz HDYLYADBYDVHBV-DYVFJYSZSA-N 1 0 340.420 2.688 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449510829 251047895 /nfs/dbraw/zinc/04/78/95/251047895.db2.gz QQEDSODEQUUZOF-AEFFLSMTSA-N 1 0 334.416 2.880 20 5 EFBDRO Cc1ccncc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449519715 251050328 /nfs/dbraw/zinc/05/03/28/251050328.db2.gz CKKJSPFVXBCOBB-CYBMUJFWSA-N 1 0 328.372 2.805 20 5 EFBDRO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495728 251042597 /nfs/dbraw/zinc/04/25/97/251042597.db2.gz DVKIPTKJTUVHGU-OAHLLOKOSA-N 1 0 329.404 2.894 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000449499550 251044734 /nfs/dbraw/zinc/04/47/34/251044734.db2.gz TYXYEVTWWHLBCD-WFASDCNBSA-N 1 0 338.404 2.859 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c2c(c1)COCO2 ZINC000267443715 251062216 /nfs/dbraw/zinc/06/22/16/251062216.db2.gz PSBXIEYXNPXRLE-LBPRGKRZSA-N 1 0 344.371 2.564 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449559453 251065968 /nfs/dbraw/zinc/06/59/68/251065968.db2.gz YIPVKBDJKVXZGZ-CPUCHLNUSA-N 1 0 334.416 2.976 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449565763 251067218 /nfs/dbraw/zinc/06/72/18/251067218.db2.gz LDFYSXBZLXPGSR-SNVBAGLBSA-N 1 0 334.401 2.576 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000449591611 251075852 /nfs/dbraw/zinc/07/58/52/251075852.db2.gz WVPYORNSNDUPTO-YOEHRIQHSA-N 1 0 330.388 2.647 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449586506 251074665 /nfs/dbraw/zinc/07/46/65/251074665.db2.gz NCEYIUZKFZWRSU-VVEVLUTRSA-N 1 0 342.399 2.851 20 5 EFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449639158 251090335 /nfs/dbraw/zinc/09/03/35/251090335.db2.gz OBIZKXWVFNQVKV-HZPDHXFCSA-N 1 0 332.404 2.634 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267481241 251097099 /nfs/dbraw/zinc/09/70/99/251097099.db2.gz VASBKSBCXZZFRZ-DZGCQCFKSA-N 1 0 342.399 2.563 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449676451 251113195 /nfs/dbraw/zinc/11/31/95/251113195.db2.gz HEPQQDMIXGJAJF-STQMWFEESA-N 1 0 345.403 2.879 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449676450 251113463 /nfs/dbraw/zinc/11/34/63/251113463.db2.gz HEPQQDMIXGJAJF-QWHCGFSZSA-N 1 0 345.403 2.879 20 5 EFBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449695933 251120108 /nfs/dbraw/zinc/12/01/08/251120108.db2.gz JMWWMEMRCLWHNR-SFHVURJKSA-N 1 0 346.383 2.686 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449754166 251142526 /nfs/dbraw/zinc/14/25/26/251142526.db2.gz KYYCRNQAJXCLDC-ZWKOTPCHSA-N 1 0 340.379 2.983 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449753745 251142964 /nfs/dbraw/zinc/14/29/64/251142964.db2.gz HMHMADABSMKYEZ-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449758538 251144222 /nfs/dbraw/zinc/14/42/22/251144222.db2.gz VQEAKZYILHGDQF-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450223563 251305064 /nfs/dbraw/zinc/30/50/64/251305064.db2.gz NPDAWYGUIPYGNJ-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450250560 251315989 /nfs/dbraw/zinc/31/59/89/251315989.db2.gz LGNLKFYPVZMXTI-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000450253269 251317350 /nfs/dbraw/zinc/31/73/50/251317350.db2.gz NGGSGKDCEWTCQP-STQMWFEESA-N 1 0 342.399 2.612 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000450253266 251317622 /nfs/dbraw/zinc/31/76/22/251317622.db2.gz NGGSGKDCEWTCQP-CHWSQXEVSA-N 1 0 342.399 2.612 20 5 EFBDRO CCCC[NH+]1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450260875 251319591 /nfs/dbraw/zinc/31/95/91/251319591.db2.gz LNAFZHFYPRULPP-UHFFFAOYSA-N 1 0 349.431 2.987 20 5 EFBDRO COC(=O)Cc1ccc(NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000450217775 251302770 /nfs/dbraw/zinc/30/27/70/251302770.db2.gz RHJOACYFOMTFIZ-UHFFFAOYSA-N 1 0 337.420 2.841 20 5 EFBDRO CC(C)Oc1ccc2[nH+]ccc(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000450391576 251371283 /nfs/dbraw/zinc/37/12/83/251371283.db2.gz MIDFYWYOQFWFLX-UHFFFAOYSA-N 1 0 341.371 2.661 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450326249 251347036 /nfs/dbraw/zinc/34/70/36/251347036.db2.gz GWSUSWDKQDDTLF-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO CCc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000450351959 251357194 /nfs/dbraw/zinc/35/71/94/251357194.db2.gz UVXCZZYTIUCKHX-UHFFFAOYSA-N 1 0 340.383 2.515 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450371590 251364176 /nfs/dbraw/zinc/36/41/76/251364176.db2.gz IUDOEHYSWSIZSQ-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO Cc1nc(N(CCCc2ccccc2)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450371519 251364524 /nfs/dbraw/zinc/36/45/24/251364524.db2.gz IDKHNKOUJNLXHA-UHFFFAOYSA-N 1 0 343.431 2.694 20 5 EFBDRO COC(=O)Cc1ccc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450443989 251389047 /nfs/dbraw/zinc/38/90/47/251389047.db2.gz XPAUZOXMDWJMKG-AWEZNQCLSA-N 1 0 349.431 2.987 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452015009 251754805 /nfs/dbraw/zinc/75/48/05/251754805.db2.gz LRSIEFCPLCXFGQ-HZPDHXFCSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000153052012 224051869 /nfs/dbraw/zinc/05/18/69/224051869.db2.gz CFFPQCGURWSCBN-UHFFFAOYSA-N 1 0 331.372 2.552 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453330744 252034302 /nfs/dbraw/zinc/03/43/02/252034302.db2.gz FCQISLUFLYJETD-MPKXVKKWSA-N 1 0 334.397 2.734 20 5 EFBDRO C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453440736 252037254 /nfs/dbraw/zinc/03/72/54/252037254.db2.gz WBZWSABQKMPHPY-DHSIGJKJSA-N 1 0 331.416 2.564 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000454135040 252150903 /nfs/dbraw/zinc/15/09/03/252150903.db2.gz PMBVVHOVJRPCJF-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454520703 252293349 /nfs/dbraw/zinc/29/33/49/252293349.db2.gz PFALOTBFUGNPFP-UHFFFAOYSA-N 1 0 346.334 2.658 20 5 EFBDRO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000454563287 252310977 /nfs/dbraw/zinc/31/09/77/252310977.db2.gz WFLIFIKUWFQNFQ-GASCZTMLSA-N 1 0 348.447 2.652 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261580823 285083144 /nfs/dbraw/zinc/08/31/44/285083144.db2.gz FOVXVNZITFDHHQ-GXSJLCMTSA-N 1 0 326.194 2.546 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153444729 224105512 /nfs/dbraw/zinc/10/55/12/224105512.db2.gz FZDXERQSNSVIMM-GXTWGEPZSA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000153572930 224124114 /nfs/dbraw/zinc/12/41/14/224124114.db2.gz SARGDYIAWJGPOR-KSSFIOAISA-N 1 0 343.427 2.992 20 5 EFBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000183432932 533087787 /nfs/dbraw/zinc/08/77/87/533087787.db2.gz RMHJZAMLIXJRJX-HNNXBMFYSA-N 1 0 331.372 2.807 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153699497 224143752 /nfs/dbraw/zinc/14/37/52/224143752.db2.gz JFSCYVFTFOYDNU-DOTOQJQBSA-N 1 0 343.427 2.992 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000112600946 220354052 /nfs/dbraw/zinc/35/40/52/220354052.db2.gz UHCTWIGDVMNCJT-MRXNPFEDSA-N 1 0 344.415 2.818 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000112600949 220354543 /nfs/dbraw/zinc/35/45/43/220354543.db2.gz UHCTWIGDVMNCJT-INIZCTEOSA-N 1 0 344.415 2.818 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457217815 299576893 /nfs/dbraw/zinc/57/68/93/299576893.db2.gz HOZHGXYTTSSDOI-NSHDSACASA-N 1 0 325.434 2.532 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000181928688 285164658 /nfs/dbraw/zinc/16/46/58/285164658.db2.gz YFDLUPYHTDYVRX-LBPRGKRZSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000011172525 285165065 /nfs/dbraw/zinc/16/50/65/285165065.db2.gz BIXPADICQFETAK-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154063583 533135004 /nfs/dbraw/zinc/13/50/04/533135004.db2.gz OPCGSLVJQHMRJQ-ZDUSSCGKSA-N 1 0 328.796 2.733 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000090539964 285190356 /nfs/dbraw/zinc/19/03/56/285190356.db2.gz GMEHWGAYUKFHSU-HNNXBMFYSA-N 1 0 328.372 2.827 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153970384 224183729 /nfs/dbraw/zinc/18/37/29/224183729.db2.gz UFZSUTCJMHRYNT-YOEHRIQHSA-N 1 0 329.400 2.684 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000154118703 224205070 /nfs/dbraw/zinc/20/50/70/224205070.db2.gz GMMVRNHUJXHEHW-XHDPSFHLSA-N 1 0 326.418 2.512 20 5 EFBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000269202810 255544386 /nfs/dbraw/zinc/54/43/86/255544386.db2.gz KWNZSGGDNUEYSS-INIZCTEOSA-N 1 0 333.432 2.896 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000456687210 255655374 /nfs/dbraw/zinc/65/53/74/255655374.db2.gz WIHLYBJMFGTVHT-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459612039 255908268 /nfs/dbraw/zinc/90/82/68/255908268.db2.gz LUCABQMWTPBJDB-UHFFFAOYSA-N 1 0 348.399 2.769 20 5 EFBDRO CO[C@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462820572 255974588 /nfs/dbraw/zinc/97/45/88/255974588.db2.gz OKBLXGSYYMNFQK-YVEFUNNKSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183820717 533219575 /nfs/dbraw/zinc/21/95/75/533219575.db2.gz ACEFFLYAEWHNDQ-CQSZACIVSA-N 1 0 336.388 2.578 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000468650445 256017834 /nfs/dbraw/zinc/01/78/34/256017834.db2.gz HFHHBGKEWBBMSE-VPEZWSJASA-N 1 0 347.459 2.945 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000468746276 256018451 /nfs/dbraw/zinc/01/84/51/256018451.db2.gz FZUTVWHCBRWHQD-JEMSNHSXSA-N 1 0 331.416 2.987 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000154668904 224288036 /nfs/dbraw/zinc/28/80/36/224288036.db2.gz FIGDBJOYJPJDGG-LZQZEXGQSA-N 1 0 345.443 2.577 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000119040357 221230061 /nfs/dbraw/zinc/23/00/61/221230061.db2.gz KLPOGESJAHCGEI-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000119169797 221257692 /nfs/dbraw/zinc/25/76/92/221257692.db2.gz CRINQIJMLDYKLH-XJKCOSOUSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000119603989 221357567 /nfs/dbraw/zinc/35/75/67/221357567.db2.gz VFTFJSXGAKRTRA-ZDUSSCGKSA-N 1 0 325.368 2.835 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000189825720 533280024 /nfs/dbraw/zinc/28/00/24/533280024.db2.gz MBOAAYTWDSWUPT-PXAZEXFGSA-N 1 0 342.399 2.598 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000347363499 533382330 /nfs/dbraw/zinc/38/23/30/533382330.db2.gz QYEKXKCGTOTNQP-SSZFMOIBSA-N 1 0 345.443 2.795 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344842461 533408597 /nfs/dbraw/zinc/40/85/97/533408597.db2.gz GIUTVCCGLHPOLI-UKTHLTGXSA-N 1 0 325.368 2.887 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000344884187 533409946 /nfs/dbraw/zinc/40/99/46/533409946.db2.gz YHYWJEWWJKVERT-INDWDQIESA-N 1 0 327.388 2.503 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132407404 533516398 /nfs/dbraw/zinc/51/63/98/533516398.db2.gz CZQAMVXLNLSVBQ-BXUZGUMPSA-N 1 0 335.404 2.858 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CCO)CCCC2)n1 ZINC000447561287 296518363 /nfs/dbraw/zinc/51/83/63/296518363.db2.gz HIJYFIVTJCMXNI-LSDHHAIUSA-N 1 0 336.436 2.807 20 5 EFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000340298739 141777193 /nfs/dbraw/zinc/77/71/93/141777193.db2.gz WTHMZSJSYDTEPR-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340450586 141801439 /nfs/dbraw/zinc/80/14/39/141801439.db2.gz UVLUYYMBLQCHJD-VXGBXAGGSA-N 1 0 344.371 2.763 20 5 EFBDRO Cn1c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000341848550 141877818 /nfs/dbraw/zinc/87/78/18/141877818.db2.gz AJTZPDRZPTUFGA-UHFFFAOYSA-N 1 0 342.399 2.824 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343392250 141987216 /nfs/dbraw/zinc/98/72/16/141987216.db2.gz TXVYXLJIPMXHJX-GOEBONIOSA-N 1 0 330.388 2.739 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1C ZINC000343452126 142000458 /nfs/dbraw/zinc/00/04/58/142000458.db2.gz RCLQQNKREGUWGQ-ZFWWWQNUSA-N 1 0 346.431 2.752 20 5 EFBDRO O=C(C1CCC1)N(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343490557 142006987 /nfs/dbraw/zinc/00/69/87/142006987.db2.gz GAQOZYPKTBJDKX-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000344436052 142016098 /nfs/dbraw/zinc/01/60/98/142016098.db2.gz GCCPAPGBOQHXMF-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000344436054 142016333 /nfs/dbraw/zinc/01/63/33/142016333.db2.gz GCCPAPGBOQHXMF-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344466742 142022053 /nfs/dbraw/zinc/02/20/53/142022053.db2.gz SNZXZCKVPIOMFB-STQMWFEESA-N 1 0 337.445 2.628 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344468814 142022670 /nfs/dbraw/zinc/02/26/70/142022670.db2.gz VAHFEFKKDYJXEL-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344468815 142022971 /nfs/dbraw/zinc/02/29/71/142022971.db2.gz VAHFEFKKDYJXEL-TXEJJXNPSA-N 1 0 337.445 2.871 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344473465 142023135 /nfs/dbraw/zinc/02/31/35/142023135.db2.gz LRGZWWACCSLDKE-BAESOJJISA-N 1 0 335.404 2.571 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCOC3)s2)cc1 ZINC000344478607 142024777 /nfs/dbraw/zinc/02/47/77/142024777.db2.gz IWYQUYUAVLGQQI-CZUORRHYSA-N 1 0 348.424 2.810 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344603955 142047166 /nfs/dbraw/zinc/04/71/66/142047166.db2.gz JFIBYNSDOWGVPT-OAHLLOKOSA-N 1 0 344.415 2.926 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000344651234 142055846 /nfs/dbraw/zinc/05/58/46/142055846.db2.gz ZGSQIMCUXQKUHG-MRXNPFEDSA-N 1 0 344.415 2.926 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000344857122 142087627 /nfs/dbraw/zinc/08/76/27/142087627.db2.gz LNNSRSONNUXMRX-RVDMUPIBSA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000344870792 142090340 /nfs/dbraw/zinc/09/03/40/142090340.db2.gz XYYHISQTUABXGR-NXIIHZOPSA-N 1 0 347.459 2.681 20 5 EFBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000344926408 142099003 /nfs/dbraw/zinc/09/90/03/142099003.db2.gz JPEAURVXLQAGKB-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345931595 142119559 /nfs/dbraw/zinc/11/95/59/142119559.db2.gz WZJCKIDKTUULPD-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345931592 142119835 /nfs/dbraw/zinc/11/98/35/142119835.db2.gz WZJCKIDKTUULPD-NWDGAFQWSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000346005006 142131916 /nfs/dbraw/zinc/13/19/16/142131916.db2.gz YMGMVHYNRLRYDC-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346190455 142164615 /nfs/dbraw/zinc/16/46/15/142164615.db2.gz PAKZUDUFGMJTAG-SUYBPPKGSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346220457 142170385 /nfs/dbraw/zinc/17/03/85/142170385.db2.gz KUSCXAKPOLMSKR-GMXVVIOVSA-N 1 0 337.445 2.767 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346286917 142183505 /nfs/dbraw/zinc/18/35/05/142183505.db2.gz ZROPILYNSRJDQR-HACGYAERSA-N 1 0 331.416 2.706 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000346351916 142193299 /nfs/dbraw/zinc/19/32/99/142193299.db2.gz XXQQEMUILKPACB-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484597 142224310 /nfs/dbraw/zinc/22/43/10/142224310.db2.gz WNXXWZVGWLFOBA-HZPDHXFCSA-N 1 0 344.415 2.969 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000347492279 142226140 /nfs/dbraw/zinc/22/61/40/142226140.db2.gz UNQSHCPYOWFVJV-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347665844 142254010 /nfs/dbraw/zinc/25/40/10/142254010.db2.gz FOKGDBRHHYSMRO-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C3(CO)CCC3)o2)c([N+](=O)[O-])c1 ZINC000347673327 142254828 /nfs/dbraw/zinc/25/48/28/142254828.db2.gz DHKQDRZSBPKRIA-UHFFFAOYSA-N 1 0 332.356 2.868 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347944236 142297525 /nfs/dbraw/zinc/29/75/25/142297525.db2.gz PRRFEKRJFYBWCH-GFCCVEGCSA-N 1 0 325.384 2.684 20 5 EFBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000349414564 142328450 /nfs/dbraw/zinc/32/84/50/142328450.db2.gz HHEQLYXJRWSSGH-IAQYHMDHSA-N 1 0 333.413 2.921 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+](C)Cc1ccccc1 ZINC000349563218 142337699 /nfs/dbraw/zinc/33/76/99/142337699.db2.gz HIAFQAXABGNGDQ-ZDUSSCGKSA-N 1 0 330.388 2.563 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000349661905 142345083 /nfs/dbraw/zinc/34/50/83/142345083.db2.gz GZPVWYARGBJPLN-HZPDHXFCSA-N 1 0 338.429 2.537 20 5 EFBDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000350048140 142394315 /nfs/dbraw/zinc/39/43/15/142394315.db2.gz KZCOEEHRZMFWAW-UHFFFAOYSA-N 1 0 346.387 2.558 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341166986 145004750 /nfs/dbraw/zinc/00/47/50/145004750.db2.gz OEDYRMUFYHRYBM-ZBFHGGJFSA-N 1 0 348.447 2.699 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000341203260 145011955 /nfs/dbraw/zinc/01/19/55/145011955.db2.gz CBJPBHAFMAJVGR-CZUORRHYSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341207267 145013298 /nfs/dbraw/zinc/01/32/98/145013298.db2.gz JWRCDYBUTOEJKG-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO Cn1c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000341256167 145021635 /nfs/dbraw/zinc/02/16/35/145021635.db2.gz HFDFVMOXTODVIL-UHFFFAOYSA-N 1 0 342.399 2.822 20 5 EFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000341279790 145025281 /nfs/dbraw/zinc/02/52/81/145025281.db2.gz SOQJYOKCIRJGKP-PBHICJAKSA-N 1 0 344.415 2.900 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000341296376 145028498 /nfs/dbraw/zinc/02/84/98/145028498.db2.gz TWAYZPCWKOIGSQ-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@@H]1CCCC2 ZINC000342185153 145077319 /nfs/dbraw/zinc/07/73/19/145077319.db2.gz ZTKLRPOTGKSBEK-KBXCAEBGSA-N 1 0 348.399 2.769 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000342218422 145082197 /nfs/dbraw/zinc/08/21/97/145082197.db2.gz IMRIVEUAQUYYJO-AWEZNQCLSA-N 1 0 340.445 2.633 20 5 EFBDRO COc1ccc(C[NH2+]C[C@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000342228135 145083862 /nfs/dbraw/zinc/08/38/62/145083862.db2.gz PXBIYUWFEGQMOC-GOSISDBHSA-N 1 0 330.384 2.643 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000342236679 145085659 /nfs/dbraw/zinc/08/56/59/145085659.db2.gz AVGQFQGQDZRANB-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342361295 145108746 /nfs/dbraw/zinc/10/87/46/145108746.db2.gz SQMICFZXYADXBG-SKDRFNHKSA-N 1 0 326.784 2.852 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342446523 145127906 /nfs/dbraw/zinc/12/79/06/145127906.db2.gz SCWPRQHWWWAAGI-KGLIPLIRSA-N 1 0 349.456 2.772 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584801 145153236 /nfs/dbraw/zinc/15/32/36/145153236.db2.gz IDWHZQPZYOJBAB-ZIAGYGMSSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342601949 145157075 /nfs/dbraw/zinc/15/70/75/145157075.db2.gz LAXGYIVQMYNIEL-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO CN(CC[C@@H]1CCCO1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000342605635 145157745 /nfs/dbraw/zinc/15/77/45/145157745.db2.gz ZHZQLGLGGBFSKK-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342650343 145165970 /nfs/dbraw/zinc/16/59/70/145165970.db2.gz HQUFVXWWYJVUGJ-HZMBPMFUSA-N 1 0 340.811 2.530 20 5 EFBDRO CC(C)C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000342670527 145169835 /nfs/dbraw/zinc/16/98/35/145169835.db2.gz ZZMUHULTGJRYHA-CQSZACIVSA-N 1 0 331.416 2.852 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCCCC1 ZINC000342880756 145214040 /nfs/dbraw/zinc/21/40/40/145214040.db2.gz NGMMEDHKABRBSC-ZDUSSCGKSA-N 1 0 344.415 2.928 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342900452 145217687 /nfs/dbraw/zinc/21/76/87/145217687.db2.gz IUHGIPZHSBRGDP-UHFFFAOYSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCC(C)CC1 ZINC000342899444 145217785 /nfs/dbraw/zinc/21/77/85/145217785.db2.gz HDXCQPWQFFHGNH-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C[NH+](C)C ZINC000342931923 145223491 /nfs/dbraw/zinc/22/34/91/145223491.db2.gz DBXSHHDSNUHTPV-NSHDSACASA-N 1 0 332.404 2.782 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000343563949 145239532 /nfs/dbraw/zinc/23/95/32/145239532.db2.gz ZSLDVSLAVPZCCC-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000343567077 145240110 /nfs/dbraw/zinc/24/01/10/145240110.db2.gz VPERCANMMKJSNE-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343571987 145242213 /nfs/dbraw/zinc/24/22/13/145242213.db2.gz NZKSWFAUJFYBJB-AWEZNQCLSA-N 1 0 339.823 2.781 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343588251 145246214 /nfs/dbraw/zinc/24/62/14/145246214.db2.gz FOSYGWSHBJKNPC-TZMCWYRMSA-N 1 0 334.420 2.628 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343598881 145248412 /nfs/dbraw/zinc/24/84/12/145248412.db2.gz IHSTUYFIEBLRFR-XJKSGUPXSA-N 1 0 341.415 2.677 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000343600304 145249581 /nfs/dbraw/zinc/24/95/81/145249581.db2.gz FJRJEBQASRQLDA-UHFFFAOYSA-N 1 0 339.823 2.672 20 5 EFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC[N@@H+]1C ZINC000343610185 145251871 /nfs/dbraw/zinc/25/18/71/145251871.db2.gz STSKYMHKJUPXOF-XJKSGUPXSA-N 1 0 346.431 2.725 20 5 EFBDRO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629815 145256544 /nfs/dbraw/zinc/25/65/44/145256544.db2.gz YPODFPCHJGSZNV-HOCLYGCPSA-N 1 0 341.367 2.565 20 5 EFBDRO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629816 145256672 /nfs/dbraw/zinc/25/66/72/145256672.db2.gz YPODFPCHJGSZNV-ZBFHGGJFSA-N 1 0 341.367 2.565 20 5 EFBDRO CSc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000343646166 145260702 /nfs/dbraw/zinc/26/07/02/145260702.db2.gz SDUMVXHSQFPLKO-UHFFFAOYSA-N 1 0 337.445 2.812 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000343650325 145262103 /nfs/dbraw/zinc/26/21/03/145262103.db2.gz OGVTUTHIUMOYTO-QGZVFWFLSA-N 1 0 326.400 2.661 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000343650323 145262150 /nfs/dbraw/zinc/26/21/50/145262150.db2.gz OGVTUTHIUMOYTO-KRWDZBQOSA-N 1 0 326.400 2.661 20 5 EFBDRO Cc1nc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343654618 145263407 /nfs/dbraw/zinc/26/34/07/145263407.db2.gz TYAWUCRGCBHIGH-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO C[C@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343764758 145289435 /nfs/dbraw/zinc/28/94/35/145289435.db2.gz WOAWANRJRBVGFW-WMLDXEAASA-N 1 0 348.447 2.699 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344058560 145358081 /nfs/dbraw/zinc/35/80/81/145358081.db2.gz KZAWXHFEFLZBOK-OAHLLOKOSA-N 1 0 329.400 2.606 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344212838 145394113 /nfs/dbraw/zinc/39/41/13/145394113.db2.gz NJXMPPVKZNQQAQ-CYBMUJFWSA-N 1 0 340.445 2.737 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344212840 145394203 /nfs/dbraw/zinc/39/42/03/145394203.db2.gz NJXMPPVKZNQQAQ-ZDUSSCGKSA-N 1 0 340.445 2.737 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000344227392 145396866 /nfs/dbraw/zinc/39/68/66/145396866.db2.gz TXAJRGKRODSKDG-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000344228912 145397773 /nfs/dbraw/zinc/39/77/73/145397773.db2.gz YKVSTLDSMYBIQU-UHFFFAOYSA-N 1 0 349.431 2.616 20 5 EFBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCCC[C@@H]1C ZINC000347402979 145860303 /nfs/dbraw/zinc/86/03/03/145860303.db2.gz HYYQJJCQKVHQJR-QWHCGFSZSA-N 1 0 329.404 2.635 20 5 EFBDRO C[NH+](C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCCCC1 ZINC000347415159 145862980 /nfs/dbraw/zinc/86/29/80/145862980.db2.gz UMPMPIUQZFAAMG-UHFFFAOYSA-N 1 0 329.404 2.636 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000348466380 145953058 /nfs/dbraw/zinc/95/30/58/145953058.db2.gz SQAKWUSNGPWCOU-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000349055939 146043743 /nfs/dbraw/zinc/04/37/43/146043743.db2.gz PUKKUEJBQVBWPY-JTQLQIEISA-N 1 0 346.774 2.712 20 5 EFBDRO CCc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000349063016 146045521 /nfs/dbraw/zinc/04/55/21/146045521.db2.gz YAWGEBUMCJONJI-CQSZACIVSA-N 1 0 340.383 2.621 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC000349063665 146046542 /nfs/dbraw/zinc/04/65/42/146046542.db2.gz ZCJOMSWLCDYBPK-NSHDSACASA-N 1 0 346.774 2.712 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000349204543 146065824 /nfs/dbraw/zinc/06/58/24/146065824.db2.gz XBAMIMCRZGEZAO-LBPRGKRZSA-N 1 0 335.404 2.655 20 5 EFBDRO COCCO[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351723625 146187225 /nfs/dbraw/zinc/18/72/25/146187225.db2.gz ZXEHQIWAQCIEPF-LBPRGKRZSA-N 1 0 330.331 2.500 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000351749822 146194099 /nfs/dbraw/zinc/19/40/99/146194099.db2.gz QGHNSNODEVPIMP-NSHDSACASA-N 1 0 336.367 2.872 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352892202 146342363 /nfs/dbraw/zinc/34/23/63/146342363.db2.gz ISXBVRJXQHBNCZ-RHSMWYFYSA-N 1 0 349.431 2.573 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353039793 146383098 /nfs/dbraw/zinc/38/30/98/146383098.db2.gz LTMYRDKCSKGHEH-SJLPKXTDSA-N 1 0 342.395 2.652 20 5 EFBDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353483146 146491753 /nfs/dbraw/zinc/49/17/53/146491753.db2.gz NPEXBAGMBZRJGD-XHSDSOJGSA-N 1 0 337.468 2.985 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC000355516672 146983776 /nfs/dbraw/zinc/98/37/76/146983776.db2.gz QCQWFIUKTIIRHU-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355597896 147008427 /nfs/dbraw/zinc/00/84/27/147008427.db2.gz FTHJXZZEYPZFPB-BETUJISGSA-N 1 0 336.388 2.625 20 5 EFBDRO CCC1CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000355605206 147010214 /nfs/dbraw/zinc/01/02/14/147010214.db2.gz IEQKZDZFYBXEQL-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC1CCC1 ZINC000355609466 147011637 /nfs/dbraw/zinc/01/16/37/147011637.db2.gz RUCPXAFFYOHINI-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000355703045 147039144 /nfs/dbraw/zinc/03/91/44/147039144.db2.gz AUHDPWLMUMTLSP-NSHDSACASA-N 1 0 348.428 2.646 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355723998 147045277 /nfs/dbraw/zinc/04/52/77/147045277.db2.gz GRDWHTMICPGFFT-UHFFFAOYSA-N 1 0 334.372 2.523 20 5 EFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000356147977 147159416 /nfs/dbraw/zinc/15/94/16/147159416.db2.gz RKJIVVPFAMKQRU-UHFFFAOYSA-N 1 0 343.387 2.567 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356151815 147160667 /nfs/dbraw/zinc/16/06/67/147160667.db2.gz XUMQVGDSOGXHKZ-QWHCGFSZSA-N 1 0 335.404 2.548 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356250396 147189035 /nfs/dbraw/zinc/18/90/35/147189035.db2.gz FOENSQATUKHHRN-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000356259124 147191803 /nfs/dbraw/zinc/19/18/03/147191803.db2.gz WTJPHPRYGZFLKV-QGZVFWFLSA-N 1 0 349.456 2.631 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356307818 147206796 /nfs/dbraw/zinc/20/67/96/147206796.db2.gz ZBQHVIYGPAXDEP-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000356866751 147357989 /nfs/dbraw/zinc/35/79/89/147357989.db2.gz OCRWWJQBRNAYJB-UHFFFAOYSA-N 1 0 335.448 2.919 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCCC[NH+]1CCCC1 ZINC000357109769 147428173 /nfs/dbraw/zinc/42/81/73/147428173.db2.gz JPLLTWFJGXFQRI-UHFFFAOYSA-N 1 0 337.395 2.659 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000357260777 147471862 /nfs/dbraw/zinc/47/18/62/147471862.db2.gz DXTKSFIONYDWEH-TZMCWYRMSA-N 1 0 337.395 2.608 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000357262628 147472105 /nfs/dbraw/zinc/47/21/05/147472105.db2.gz MJLQLYYJAVHABH-CYBMUJFWSA-N 1 0 336.436 2.875 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000357352093 147502455 /nfs/dbraw/zinc/50/24/55/147502455.db2.gz LDHODVKVTHORAD-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000358741042 147884701 /nfs/dbraw/zinc/88/47/01/147884701.db2.gz IRQONQCNOKBICX-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359128276 148003700 /nfs/dbraw/zinc/00/37/00/148003700.db2.gz HIXCDBDUUTXIMA-QLFBSQMISA-N 1 0 333.432 2.857 20 5 EFBDRO CO[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000359386962 148072895 /nfs/dbraw/zinc/07/28/95/148072895.db2.gz DFCKUJLWTCJDDL-HFTRVMKXSA-N 1 0 334.416 2.701 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000359421027 148081001 /nfs/dbraw/zinc/08/10/01/148081001.db2.gz XDMHIMKRKZZJCA-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000359522730 148109468 /nfs/dbraw/zinc/10/94/68/148109468.db2.gz DPRGVDZFHIBCBO-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359541786 148116283 /nfs/dbraw/zinc/11/62/83/148116283.db2.gz KJXKLEUKDWEQEK-CJNGLKHVSA-N 1 0 348.447 2.917 20 5 EFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359541374 148116341 /nfs/dbraw/zinc/11/63/41/148116341.db2.gz DDPKWUHQHQGOHS-DZGCQCFKSA-N 1 0 345.399 2.976 20 5 EFBDRO Cc1c(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000359555261 148121409 /nfs/dbraw/zinc/12/14/09/148121409.db2.gz ZXIWQLFXMRHOPW-UHFFFAOYSA-N 1 0 334.420 2.529 20 5 EFBDRO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000359628199 148143977 /nfs/dbraw/zinc/14/39/77/148143977.db2.gz ZHKIGKWWAPPYPY-MGPQQGTHSA-N 1 0 347.415 2.577 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000359659439 148154278 /nfs/dbraw/zinc/15/42/78/148154278.db2.gz UYDGANNKEKTQJW-UHFFFAOYSA-N 1 0 337.445 2.993 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000359832152 148201878 /nfs/dbraw/zinc/20/18/78/148201878.db2.gz LJGJLLKFSJBKIZ-KDOFPFPSSA-N 1 0 339.395 2.988 20 5 EFBDRO Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000359839954 148203977 /nfs/dbraw/zinc/20/39/77/148203977.db2.gz LZADOVIQGAFFNY-CHWSQXEVSA-N 1 0 325.384 2.954 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066358 148263574 /nfs/dbraw/zinc/26/35/74/148263574.db2.gz OZJCGYYUBGFIGA-LLVKDONJSA-N 1 0 346.353 2.580 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360583620 148401669 /nfs/dbraw/zinc/40/16/69/148401669.db2.gz OZUNULRQPKCXLE-BPQIPLTHSA-N 1 0 345.443 2.907 20 5 EFBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000361597073 148658639 /nfs/dbraw/zinc/65/86/39/148658639.db2.gz WVEHCMHXCOWCBF-HNNXBMFYSA-N 1 0 331.372 2.903 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000362474509 148827753 /nfs/dbraw/zinc/82/77/53/148827753.db2.gz UBFKOYIFBGBVFU-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363770563 149010220 /nfs/dbraw/zinc/01/02/20/149010220.db2.gz BGAYUWMCVPJPEM-LBPRGKRZSA-N 1 0 335.429 2.627 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363928693 149033154 /nfs/dbraw/zinc/03/31/54/149033154.db2.gz ZFGHLCPBRRSDCJ-HNNXBMFYSA-N 1 0 330.388 2.853 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364545520 149180177 /nfs/dbraw/zinc/18/01/77/149180177.db2.gz VSZIGYGGNYJYTA-UONOGXRCSA-N 1 0 332.404 2.960 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364545518 149180706 /nfs/dbraw/zinc/18/07/06/149180706.db2.gz VSZIGYGGNYJYTA-KBPBESRZSA-N 1 0 332.404 2.960 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364545521 149181094 /nfs/dbraw/zinc/18/10/94/149181094.db2.gz VSZIGYGGNYJYTA-ZIAGYGMSSA-N 1 0 332.404 2.960 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364563503 149185164 /nfs/dbraw/zinc/18/51/64/149185164.db2.gz SAEOLQQLLNORMF-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000364625890 149201373 /nfs/dbraw/zinc/20/13/73/149201373.db2.gz YUNJIAVLEYUQDV-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364643330 149205610 /nfs/dbraw/zinc/20/56/10/149205610.db2.gz UXDAHRDSEYNVHE-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000364867548 149263359 /nfs/dbraw/zinc/26/33/59/149263359.db2.gz PQSAYXPJZSLQCK-CYBMUJFWSA-N 1 0 339.395 2.577 20 5 EFBDRO CC(C)(C)n1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000365117565 149321748 /nfs/dbraw/zinc/32/17/48/149321748.db2.gz QHYSWLNIQWOYBH-UHFFFAOYSA-N 1 0 332.408 2.580 20 5 EFBDRO C[N@@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000367464998 149881331 /nfs/dbraw/zinc/88/13/31/149881331.db2.gz XDCSZVZLBVNKID-UHFFFAOYSA-N 1 0 334.376 2.563 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368002188 150007394 /nfs/dbraw/zinc/00/73/94/150007394.db2.gz UQXSWZZJZVFLCX-SFHVURJKSA-N 1 0 349.431 2.572 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1F ZINC000368367890 150102931 /nfs/dbraw/zinc/10/29/31/150102931.db2.gz WHWMWRFPIJUJOK-LBPRGKRZSA-N 1 0 348.378 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368828880 150215650 /nfs/dbraw/zinc/21/56/50/150215650.db2.gz GXHHXOMNFUHGRG-OLZOCXBDSA-N 1 0 341.358 2.913 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000369145354 150284565 /nfs/dbraw/zinc/28/45/65/150284565.db2.gz QZUWNHFRDIWRFV-MRXNPFEDSA-N 1 0 330.388 2.572 20 5 EFBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265125 150315014 /nfs/dbraw/zinc/31/50/14/150315014.db2.gz DUXHCTXCOPXZBH-GFCCVEGCSA-N 1 0 338.839 2.829 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000369354638 150334961 /nfs/dbraw/zinc/33/49/61/150334961.db2.gz SMFGSHPPZABSBV-ZDUSSCGKSA-N 1 0 328.372 2.657 20 5 EFBDRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369556336 150387205 /nfs/dbraw/zinc/38/72/05/150387205.db2.gz LECLYFXSISMAGA-UHFFFAOYSA-N 1 0 332.408 2.649 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372856602 151072063 /nfs/dbraw/zinc/07/20/63/151072063.db2.gz IYUPXBDBUUZKKK-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO CN1CCC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1=O ZINC000373175203 151127044 /nfs/dbraw/zinc/12/70/44/151127044.db2.gz YRFZOKWMJOZAMY-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000373288108 151146928 /nfs/dbraw/zinc/14/69/28/151146928.db2.gz LQTVWXBUMRQLDZ-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000373409013 151165561 /nfs/dbraw/zinc/16/55/61/151165561.db2.gz ZTPVOGWITRCUKV-INIZCTEOSA-N 1 0 348.378 2.612 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373929749 151251242 /nfs/dbraw/zinc/25/12/42/151251242.db2.gz RPUJGPBGBZRWSQ-CHWSQXEVSA-N 1 0 335.429 2.673 20 5 EFBDRO Cc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305930 151318739 /nfs/dbraw/zinc/31/87/39/151318739.db2.gz BCQFQCZIDYWSLB-DLBZAZTESA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000374313864 151320796 /nfs/dbraw/zinc/32/07/96/151320796.db2.gz YTIFSOVIBHNFFW-ROUUACIJSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000374313859 151321182 /nfs/dbraw/zinc/32/11/82/151321182.db2.gz YTIFSOVIBHNFFW-MSOLQXFVSA-N 1 0 339.395 2.731 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3nccn3C)C2)c1 ZINC000374389870 151338075 /nfs/dbraw/zinc/33/80/75/151338075.db2.gz VLQIYJRDPSYUMR-LLVKDONJSA-N 1 0 346.412 2.680 20 5 EFBDRO Cc1c(C(=O)N2CCCc3cc(C[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC000374469163 151352896 /nfs/dbraw/zinc/35/28/96/151352896.db2.gz NXVQGEYVHNTZDU-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cccc1[N+](=O)[O-] ZINC000374551012 151368523 /nfs/dbraw/zinc/36/85/23/151368523.db2.gz KKNAUUZWYRXHON-CQSZACIVSA-N 1 0 345.403 2.732 20 5 EFBDRO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703878 151399265 /nfs/dbraw/zinc/39/92/65/151399265.db2.gz WJRGFPQOTSDWLQ-KGLIPLIRSA-N 1 0 335.404 2.731 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378226586 152035770 /nfs/dbraw/zinc/03/57/70/152035770.db2.gz LPGBPIKBDAZXQV-KRWDZBQOSA-N 1 0 331.416 2.518 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000378275946 152046716 /nfs/dbraw/zinc/04/67/16/152046716.db2.gz XVKXLPZKDQEDNK-CYBMUJFWSA-N 1 0 325.328 2.730 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000408233229 152167035 /nfs/dbraw/zinc/16/70/35/152167035.db2.gz ZGVQCNYSZUEMRU-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000408268638 152170241 /nfs/dbraw/zinc/17/02/41/152170241.db2.gz OEJMDFZMWTUBEV-HZSPNIEDSA-N 1 0 346.431 2.654 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000408463959 152195025 /nfs/dbraw/zinc/19/50/25/152195025.db2.gz HBNWFQXAQQYVDL-MFKMUULPSA-N 1 0 331.397 2.586 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2)c1 ZINC000181856078 287030607 /nfs/dbraw/zinc/03/06/07/287030607.db2.gz DRPWQJAQYDQMRQ-CQSZACIVSA-N 1 0 329.404 2.742 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](C)N1CCOCC1 ZINC000192836748 287059008 /nfs/dbraw/zinc/05/90/08/287059008.db2.gz CVEWXNCNPNMPIQ-HBUWYVDXSA-N 1 0 333.432 2.671 20 5 EFBDRO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358193136 164650437 /nfs/dbraw/zinc/65/04/37/164650437.db2.gz ADBLEHKRMQRNOJ-ZMSDIMECSA-N 1 0 336.432 2.947 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157868296 224904369 /nfs/dbraw/zinc/90/43/69/224904369.db2.gz VQUDWVUXIHTNIP-YPMHNXCESA-N 1 0 346.412 2.576 20 5 EFBDRO C[C@@H]([NH2+]CCOCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159089560 225144287 /nfs/dbraw/zinc/14/42/87/225144287.db2.gz ILHWJRLJNDYBKA-GFCCVEGCSA-N 1 0 336.413 2.983 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159838126 225286487 /nfs/dbraw/zinc/28/64/87/225286487.db2.gz DGUQUJBETSSHAD-JKSUJKDBSA-N 1 0 341.411 2.943 20 5 EFBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159837208 225286888 /nfs/dbraw/zinc/28/68/88/225286888.db2.gz BKOBIUHGALEKPX-ZFWWWQNUSA-N 1 0 345.374 2.774 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170020462 226598600 /nfs/dbraw/zinc/59/86/00/226598600.db2.gz KKGFELSARQRILM-OLZOCXBDSA-N 1 0 332.404 2.764 20 5 EFBDRO C[C@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000123357751 222263088 /nfs/dbraw/zinc/26/30/88/222263088.db2.gz HIKPQKZXJDBFKU-GXTWGEPZSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000123357961 222264108 /nfs/dbraw/zinc/26/41/08/222264108.db2.gz HIKPQKZXJDBFKU-OCCSQVGLSA-N 1 0 345.403 2.559 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000124140309 222381844 /nfs/dbraw/zinc/38/18/44/222381844.db2.gz MUJOYXMFSDAPTP-UHFFFAOYSA-N 1 0 333.432 2.907 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124193662 222388981 /nfs/dbraw/zinc/38/89/81/222388981.db2.gz SBOZPGZVQCQIIN-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045830681 272975794 /nfs/dbraw/zinc/97/57/94/272975794.db2.gz REBZEPNMUKMIMC-INIZCTEOSA-N 1 0 349.431 2.600 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184089588 265006530 /nfs/dbraw/zinc/00/65/30/265006530.db2.gz KJTZAQOSNNBVHV-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000184654781 265023597 /nfs/dbraw/zinc/02/35/97/265023597.db2.gz XYEZDLXFEHOCIL-OAHLLOKOSA-N 1 0 335.448 2.868 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018852 265054232 /nfs/dbraw/zinc/05/42/32/265054232.db2.gz IHTFFUNSCRNYKC-CQSZACIVSA-N 1 0 325.796 2.739 20 5 EFBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189753578 265201290 /nfs/dbraw/zinc/20/12/90/265201290.db2.gz MCSMRMCVRRMMFC-UHFFFAOYSA-N 1 0 343.449 2.532 20 5 EFBDRO COc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000192636705 265303317 /nfs/dbraw/zinc/30/33/17/265303317.db2.gz QLXPLNNLSHOMDU-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193466695 265330872 /nfs/dbraw/zinc/33/08/72/265330872.db2.gz NWIIYQVIKSBQKS-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194698333 265382263 /nfs/dbraw/zinc/38/22/63/265382263.db2.gz IYVNWXYDCMPGMB-VOTSOKGWSA-N 1 0 329.400 2.599 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194770220 265386898 /nfs/dbraw/zinc/38/68/98/265386898.db2.gz RVKXHXROMBXWKJ-RMKNXTFCSA-N 1 0 331.416 2.987 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247372853 265474376 /nfs/dbraw/zinc/47/43/76/265474376.db2.gz KYFPCEHUGADUFJ-GXFFZTMASA-N 1 0 325.796 2.660 20 5 EFBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000271307672 265942397 /nfs/dbraw/zinc/94/23/97/265942397.db2.gz RYSAPMKDPJTSPS-AWEZNQCLSA-N 1 0 329.404 2.577 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271559436 266007756 /nfs/dbraw/zinc/00/77/56/266007756.db2.gz XHVPADQUTLYDKS-QEJZJMRPSA-N 1 0 340.445 2.910 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000271620683 266022900 /nfs/dbraw/zinc/02/29/00/266022900.db2.gz CYFPERRGEXNYDW-CZUORRHYSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH+](C)C ZINC000271622347 266024577 /nfs/dbraw/zinc/02/45/77/266024577.db2.gz XFGLWMLMCADXNH-CZUORRHYSA-N 1 0 344.415 2.674 20 5 EFBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000271833155 266074113 /nfs/dbraw/zinc/07/41/13/266074113.db2.gz UVPGJNJQZQGCOF-HNNXBMFYSA-N 1 0 343.383 2.637 20 5 EFBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000271993104 266117747 /nfs/dbraw/zinc/11/77/47/266117747.db2.gz GRQBZMGOEPCXNZ-RBUKOAKNSA-N 1 0 341.411 2.617 20 5 EFBDRO Cc1c(CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000272213953 266191462 /nfs/dbraw/zinc/19/14/62/266191462.db2.gz SCIIWWYCFPTNSJ-AWEZNQCLSA-N 1 0 333.432 2.634 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272215403 266192423 /nfs/dbraw/zinc/19/24/23/266192423.db2.gz QYSVKHWTQODCJI-IINYFYTJSA-N 1 0 340.221 2.888 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272222422 266194149 /nfs/dbraw/zinc/19/41/49/266194149.db2.gz NWVJOCMZFWXOSZ-TZMCWYRMSA-N 1 0 341.358 2.676 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272223818 266196002 /nfs/dbraw/zinc/19/60/02/266196002.db2.gz SLXUDYJHAYITEU-HZMBPMFUSA-N 1 0 340.221 2.888 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000272258847 266206710 /nfs/dbraw/zinc/20/67/10/266206710.db2.gz ZUYLTJIGWKKGEQ-GWCFXTLKSA-N 1 0 327.331 2.727 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000272508135 266288651 /nfs/dbraw/zinc/28/86/51/266288651.db2.gz JSYVAXXLBAPHJB-ZFWWWQNUSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272512194 266289608 /nfs/dbraw/zinc/28/96/08/266289608.db2.gz KHAURDRLVAYHCC-LBPRGKRZSA-N 1 0 341.358 2.677 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+]CC(C)(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272521707 266293194 /nfs/dbraw/zinc/29/31/94/266293194.db2.gz LGPZXLFPZBYAGI-MRXNPFEDSA-N 1 0 346.431 2.806 20 5 EFBDRO CC(C)[N@H+](C)CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532017 266296214 /nfs/dbraw/zinc/29/62/14/266296214.db2.gz NHXWPSYROMHDFF-KRWDZBQOSA-N 1 0 345.447 2.738 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547086 266303090 /nfs/dbraw/zinc/30/30/90/266303090.db2.gz QLMOLQYCJLDMTB-WMLDXEAASA-N 1 0 345.447 2.738 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272593853 266319746 /nfs/dbraw/zinc/31/97/46/266319746.db2.gz OGFPNEWHDJAZFV-SQWLQELKSA-N 1 0 346.431 2.782 20 5 EFBDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000272609272 266326530 /nfs/dbraw/zinc/32/65/30/266326530.db2.gz WMHCZTDUADXZCN-FZMZJTMJSA-N 1 0 334.372 2.790 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272633259 266333302 /nfs/dbraw/zinc/33/33/02/266333302.db2.gz XFWVLGAIWPVNDR-JQFCIGGWSA-N 1 0 346.431 2.782 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272633266 266334066 /nfs/dbraw/zinc/33/40/66/266334066.db2.gz XFWVLGAIWPVNDR-XOKHGSTOSA-N 1 0 346.431 2.782 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272682472 266350324 /nfs/dbraw/zinc/35/03/24/266350324.db2.gz VRINLMCJMWMVQM-SMDDNHRTSA-N 1 0 341.358 2.722 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272724897 266364873 /nfs/dbraw/zinc/36/48/73/266364873.db2.gz JQVSEYZPDWXTLL-QWHCGFSZSA-N 1 0 332.404 2.605 20 5 EFBDRO Cc1cc(NCC2(C(N)=O)CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272784597 266380501 /nfs/dbraw/zinc/38/05/01/266380501.db2.gz BBUKUFYRKHTSOG-UHFFFAOYSA-N 1 0 328.372 2.909 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272784482 266381076 /nfs/dbraw/zinc/38/10/76/266381076.db2.gz FNRATBYCFSQRFZ-KGLIPLIRSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926442 273000428 /nfs/dbraw/zinc/00/04/28/273000428.db2.gz UMZVEEFAKMEOLK-OAHLLOKOSA-N 1 0 333.388 2.806 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000273016675 266437836 /nfs/dbraw/zinc/43/78/36/266437836.db2.gz PQSKJAKLQHUWRT-LRDDRELGSA-N 1 0 337.445 2.581 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cnn(C)c1 ZINC000273363968 266487942 /nfs/dbraw/zinc/48/79/42/266487942.db2.gz JVNHJPCSLXLDCU-LBPRGKRZSA-N 1 0 341.371 2.877 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448332 266500970 /nfs/dbraw/zinc/50/09/70/266500970.db2.gz XOFCCVYVLHTWDP-CJNGLKHVSA-N 1 0 327.384 2.650 20 5 EFBDRO CC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273937410 266582608 /nfs/dbraw/zinc/58/26/08/266582608.db2.gz JJPHQCDFOMPCDX-UHFFFAOYSA-N 1 0 337.395 2.612 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274225134 266627781 /nfs/dbraw/zinc/62/77/81/266627781.db2.gz OPXSXOPLOIBASZ-TZMCWYRMSA-N 1 0 332.404 2.500 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000274345894 266636975 /nfs/dbraw/zinc/63/69/75/266636975.db2.gz VUAURKHWXBRUJY-CQSZACIVSA-N 1 0 337.395 2.803 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000274713173 266695963 /nfs/dbraw/zinc/69/59/63/266695963.db2.gz YSKNJVXDXUQMTQ-LSDHHAIUSA-N 1 0 325.409 2.750 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000274767874 266704935 /nfs/dbraw/zinc/70/49/35/266704935.db2.gz GRFOQLYFLKNSQZ-CQSZACIVSA-N 1 0 342.461 2.720 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000107696861 273008101 /nfs/dbraw/zinc/00/81/01/273008101.db2.gz UYMHJIHQYJIUHG-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000108334739 273009195 /nfs/dbraw/zinc/00/91/95/273009195.db2.gz RQRALLBCWJTCBI-ZDUSSCGKSA-N 1 0 333.432 2.964 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000275713238 266862132 /nfs/dbraw/zinc/86/21/32/266862132.db2.gz YMRGOFHDSVJATN-QRTARXTBSA-N 1 0 344.415 2.769 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000276202928 266941628 /nfs/dbraw/zinc/94/16/28/266941628.db2.gz KDMHMHBULPSRSU-UHFFFAOYSA-N 1 0 345.346 2.610 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncnn1C ZINC000276642131 267028531 /nfs/dbraw/zinc/02/85/31/267028531.db2.gz OZOPKKZYBBAWKU-RYUDHWBXSA-N 1 0 335.433 2.945 20 5 EFBDRO CS[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000276683660 267035561 /nfs/dbraw/zinc/03/55/61/267035561.db2.gz VGYIYNZFPOJHFC-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO CCOc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826523 267056425 /nfs/dbraw/zinc/05/64/25/267056425.db2.gz ALHIECDZXKPITE-HZPDHXFCSA-N 1 0 333.432 2.910 20 5 EFBDRO CCOc1cc(C[NH+]2CCC(OCCOC)CC2)ccc1[N+](=O)[O-] ZINC000276836616 267058983 /nfs/dbraw/zinc/05/89/83/267058983.db2.gz BSCRSBUJORKNKL-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276866160 267064732 /nfs/dbraw/zinc/06/47/32/267064732.db2.gz HBJSHDPDKIPLHM-GOEBONIOSA-N 1 0 338.429 2.700 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000276869375 267065578 /nfs/dbraw/zinc/06/55/78/267065578.db2.gz JYBZDPYYFTWLES-WBMJQRKESA-N 1 0 337.420 2.697 20 5 EFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276908896 267073651 /nfs/dbraw/zinc/07/36/51/267073651.db2.gz NBMSHWNUWGJOCX-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCOCC2 ZINC000276911573 267074622 /nfs/dbraw/zinc/07/46/22/267074622.db2.gz PEKWHGLYKLIPQB-IAGOWNOFSA-N 1 0 334.416 2.967 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000277038267 267104733 /nfs/dbraw/zinc/10/47/33/267104733.db2.gz LZBNDQPJRJMNLB-AWEZNQCLSA-N 1 0 335.404 2.514 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000277073547 267110769 /nfs/dbraw/zinc/11/07/69/267110769.db2.gz DWVYRSPMUVTVAF-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277090613 267111809 /nfs/dbraw/zinc/11/18/09/267111809.db2.gz BKLSMQREAHQVEL-ZDUSSCGKSA-N 1 0 341.358 2.629 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277228566 267132846 /nfs/dbraw/zinc/13/28/46/267132846.db2.gz YMDKOWXKDZEIQN-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277400796 267173032 /nfs/dbraw/zinc/17/30/32/267173032.db2.gz YMFIMZPWEUWEDQ-MRXNPFEDSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277543177 267193014 /nfs/dbraw/zinc/19/30/14/267193014.db2.gz XIYHSUCUTAZEIU-DOMZBBRYSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277543191 267193509 /nfs/dbraw/zinc/19/35/09/267193509.db2.gz XIYHSUCUTAZEIU-WFASDCNBSA-N 1 0 340.445 2.783 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000277635833 267217307 /nfs/dbraw/zinc/21/73/07/267217307.db2.gz BTMJXMLTJAGSPF-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000277635830 267217611 /nfs/dbraw/zinc/21/76/11/267217611.db2.gz BTMJXMLTJAGSPF-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277664490 267227488 /nfs/dbraw/zinc/22/74/88/267227488.db2.gz FDAODNNWXPJZGD-SMDDNHRTSA-N 1 0 348.321 2.609 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000277690116 267236402 /nfs/dbraw/zinc/23/64/02/267236402.db2.gz ZLNKICGIEWLOOU-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277791121 267264453 /nfs/dbraw/zinc/26/44/53/267264453.db2.gz ONSHEVQDFPPECL-SMDDNHRTSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000278156544 267355896 /nfs/dbraw/zinc/35/58/96/267355896.db2.gz TWIXMYAVMKTIEP-SMDDNHRTSA-N 1 0 330.344 2.571 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000278161844 267357023 /nfs/dbraw/zinc/35/70/23/267357023.db2.gz DPHVCFLPRHSYOA-UHFFFAOYSA-N 1 0 348.403 2.953 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](CC2CC2)CC1 ZINC000278188920 267364975 /nfs/dbraw/zinc/36/49/75/267364975.db2.gz DKMFEGZVGOMVME-UHFFFAOYSA-N 1 0 330.310 2.541 20 5 EFBDRO Cc1cc(N2CC[S@](=O)C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278255119 267382081 /nfs/dbraw/zinc/38/20/81/267382081.db2.gz VBBMVBZYJIZTAN-RULNZOCKSA-N 1 0 333.413 2.656 20 5 EFBDRO Cc1cc(N2CC[S@](=O)C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278255112 267382455 /nfs/dbraw/zinc/38/24/55/267382455.db2.gz VBBMVBZYJIZTAN-BGJPBQGDSA-N 1 0 333.413 2.656 20 5 EFBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000278809518 267566453 /nfs/dbraw/zinc/56/64/53/267566453.db2.gz ZYYVWLJZFINDRD-WBVHZDCISA-N 1 0 341.411 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c2nonc21 ZINC000265530732 273077513 /nfs/dbraw/zinc/07/75/13/273077513.db2.gz BDFZNHSAJOHJLF-LBPRGKRZSA-N 1 0 331.376 2.586 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000270375707 273093836 /nfs/dbraw/zinc/09/38/36/273093836.db2.gz LKBNKAFNXSJLTC-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(C)=O ZINC000271117645 273099135 /nfs/dbraw/zinc/09/91/35/273099135.db2.gz ITDLLLWEWVEADG-CYBMUJFWSA-N 1 0 325.434 2.581 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOCCOC)cc1[N+](=O)[O-] ZINC000271146089 273101811 /nfs/dbraw/zinc/10/18/11/273101811.db2.gz PMJFXLWMMCGYIN-CYBMUJFWSA-N 1 0 326.393 2.697 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271247670 273103416 /nfs/dbraw/zinc/10/34/16/273103416.db2.gz JVASTQRQGIKSPF-IUODEOHRSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000271746954 273107987 /nfs/dbraw/zinc/10/79/87/273107987.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 1 0 334.464 2.614 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CCOCC3)CC2)cc1 ZINC000274239351 273126616 /nfs/dbraw/zinc/12/66/16/273126616.db2.gz VOMQHUMOCRYMLD-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277151722 273148966 /nfs/dbraw/zinc/14/89/66/273148966.db2.gz KXTACDOGUZLQSH-ZDUSSCGKSA-N 1 0 335.404 2.692 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000277148387 273148455 /nfs/dbraw/zinc/14/84/55/273148455.db2.gz ILDGBFUHZVBQRH-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277151719 273148950 /nfs/dbraw/zinc/14/89/50/273148950.db2.gz KXTACDOGUZLQSH-CYBMUJFWSA-N 1 0 335.404 2.692 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277367418 273152985 /nfs/dbraw/zinc/15/29/85/273152985.db2.gz VHSSLWUPBLEUME-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277369633 273153327 /nfs/dbraw/zinc/15/33/27/273153327.db2.gz BMJBEYUIOHOPLO-ZZXKWVIFSA-N 1 0 339.399 2.657 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278644081 273161916 /nfs/dbraw/zinc/16/19/16/273161916.db2.gz ZIYSHCKOVANRNU-FPYGCLRLSA-N 1 0 329.400 2.599 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279058421 273171629 /nfs/dbraw/zinc/17/16/29/273171629.db2.gz KPLYRTZNXIFBST-BLLLJJGKSA-N 1 0 331.416 2.918 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCO1 ZINC000279062041 273172097 /nfs/dbraw/zinc/17/20/97/273172097.db2.gz LQCCLZNRUIETTB-DOTOQJQBSA-N 1 0 338.404 2.666 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000279083252 273174598 /nfs/dbraw/zinc/17/45/98/273174598.db2.gz MWJQBTIDIATBBO-HOTGVXAUSA-N 1 0 331.416 2.916 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279103749 273177107 /nfs/dbraw/zinc/17/71/07/273177107.db2.gz OOCBDICWGNJWGN-GFCCVEGCSA-N 1 0 345.321 2.585 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279156080 273182897 /nfs/dbraw/zinc/18/28/97/273182897.db2.gz TTYGUQGONQMEJX-GUYCJALGSA-N 1 0 333.432 2.628 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000279271664 273196163 /nfs/dbraw/zinc/19/61/63/273196163.db2.gz JGSDWQCRPGLJDQ-INIZCTEOSA-N 1 0 339.367 2.563 20 5 EFBDRO CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000279357671 273206409 /nfs/dbraw/zinc/20/64/09/273206409.db2.gz UYOQEXWCIOCYBY-CYBMUJFWSA-N 1 0 347.337 2.816 20 5 EFBDRO C[C@H]1CCSCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279380893 273209101 /nfs/dbraw/zinc/20/91/01/273209101.db2.gz XWMQBMSAYKLTRE-NSHDSACASA-N 1 0 334.401 2.972 20 5 EFBDRO CO[C@@]1(C)CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000279458402 273217560 /nfs/dbraw/zinc/21/75/60/273217560.db2.gz ZYVPYHCYFDAOTQ-INIZCTEOSA-N 1 0 332.360 2.646 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000279490085 273220981 /nfs/dbraw/zinc/22/09/81/273220981.db2.gz PFJRECAILSJEIA-UHFFFAOYSA-N 1 0 327.812 2.531 20 5 EFBDRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279580121 273230526 /nfs/dbraw/zinc/23/05/26/273230526.db2.gz UNONDPDWSWPKOT-SECBINFHSA-N 1 0 333.310 2.570 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000279624909 273235402 /nfs/dbraw/zinc/23/54/02/273235402.db2.gz BDJRUALDNMTCKR-HOCLYGCPSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279663442 273239396 /nfs/dbraw/zinc/23/93/96/273239396.db2.gz CVNWUGXEEBGAPP-HUUCEWRRSA-N 1 0 349.431 2.857 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279745586 273248849 /nfs/dbraw/zinc/24/88/49/273248849.db2.gz KXTDXXWWRKIKHT-KBPBESRZSA-N 1 0 338.404 2.608 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000279804496 273255341 /nfs/dbraw/zinc/25/53/41/273255341.db2.gz PKTZUVCRMIPRQZ-DZGCQCFKSA-N 1 0 349.431 2.857 20 5 EFBDRO CC1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000279805739 273255415 /nfs/dbraw/zinc/25/54/15/273255415.db2.gz XDEICJRAVZYONE-CYBMUJFWSA-N 1 0 340.445 2.552 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816861 273256663 /nfs/dbraw/zinc/25/66/63/273256663.db2.gz QHFCOXYRCGWXHD-IUODEOHRSA-N 1 0 336.388 2.587 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000279915387 273268566 /nfs/dbraw/zinc/26/85/66/273268566.db2.gz FDKZXRSKFGDQSZ-KBPBESRZSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978914 273277023 /nfs/dbraw/zinc/27/70/23/273277023.db2.gz ZIYFZLGOSZRVDQ-IUODEOHRSA-N 1 0 346.387 2.770 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199193 273301431 /nfs/dbraw/zinc/30/14/31/273301431.db2.gz IVEMEYCTAUYNMT-ZBFHGGJFSA-N 1 0 349.431 2.683 20 5 EFBDRO CCOc1cc(N2CC[NH+](CCCCOC)CC2)ccc1[N+](=O)[O-] ZINC000280306262 273313768 /nfs/dbraw/zinc/31/37/68/273313768.db2.gz WLGBGJBBOGMGOW-UHFFFAOYSA-N 1 0 337.420 2.542 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340484 273317633 /nfs/dbraw/zinc/31/76/33/273317633.db2.gz IGMMAEULZIJLST-CXAGYDPISA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@H](CO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000280361287 273319816 /nfs/dbraw/zinc/31/98/16/273319816.db2.gz JTGABZFAJMAJLQ-GFCCVEGCSA-N 1 0 346.387 2.628 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000280426722 273326870 /nfs/dbraw/zinc/32/68/70/273326870.db2.gz IQTDRXUISYBYOI-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO Cc1cc(OCC(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280445014 273328734 /nfs/dbraw/zinc/32/87/34/273328734.db2.gz DGWDVFNIJUJTRT-UHFFFAOYSA-N 1 0 349.431 2.661 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000280519974 273336377 /nfs/dbraw/zinc/33/63/77/273336377.db2.gz HPZXLCFBOWAEPG-SFHVURJKSA-N 1 0 344.415 2.996 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000280519060 273336408 /nfs/dbraw/zinc/33/64/08/273336408.db2.gz NZXDFKYMXNKCQW-QGZVFWFLSA-N 1 0 327.384 2.686 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280788024 273366814 /nfs/dbraw/zinc/36/68/14/273366814.db2.gz HIRKBXHRJZGAEA-DKIMLUQUSA-N 1 0 348.443 2.541 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000281079968 273398560 /nfs/dbraw/zinc/39/85/60/273398560.db2.gz UKWAVZPITDFQHX-GOSISDBHSA-N 1 0 327.384 2.823 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000281813259 273471974 /nfs/dbraw/zinc/47/19/74/273471974.db2.gz UZLXVRHAMCDJCH-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282189476 273526619 /nfs/dbraw/zinc/52/66/19/273526619.db2.gz WLOPSBPZYZYPHJ-XJKSGUPXSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282189473 273526709 /nfs/dbraw/zinc/52/67/09/273526709.db2.gz WLOPSBPZYZYPHJ-CZUORRHYSA-N 1 0 347.415 2.861 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CC1 ZINC000282468017 273566959 /nfs/dbraw/zinc/56/69/59/273566959.db2.gz WCXPXELRXGCTBO-AMXDTQDGSA-N 1 0 342.486 2.966 20 5 EFBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000282726891 273607282 /nfs/dbraw/zinc/60/72/82/273607282.db2.gz SGBKVHXWYKZXPI-LLVKDONJSA-N 1 0 340.763 2.605 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000282936429 273641997 /nfs/dbraw/zinc/64/19/97/273641997.db2.gz IJSZIKFHMWMVEF-MRXNPFEDSA-N 1 0 340.383 2.991 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000282995132 273651619 /nfs/dbraw/zinc/65/16/19/273651619.db2.gz NGJMUERIVFLDFV-INIZCTEOSA-N 1 0 340.383 2.991 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000055085196 273744238 /nfs/dbraw/zinc/74/42/38/273744238.db2.gz YWVLUINIKDRQDS-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000283737151 273752778 /nfs/dbraw/zinc/75/27/78/273752778.db2.gz IPRYTHIIPZZRFQ-WDEREUQCSA-N 1 0 331.376 2.528 20 5 EFBDRO Cc1cc(F)c(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000283922376 273775120 /nfs/dbraw/zinc/77/51/20/273775120.db2.gz KFGYCIHNTVVXAE-UHFFFAOYSA-N 1 0 336.367 2.791 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000360880185 273778894 /nfs/dbraw/zinc/77/88/94/273778894.db2.gz ROYMYIZZFFMIKW-UHFFFAOYSA-N 1 0 343.431 2.750 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415432535 273967549 /nfs/dbraw/zinc/96/75/49/273967549.db2.gz FXBHBMSAEUUEQS-SNVBAGLBSA-N 1 0 346.309 2.829 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358836 273985180 /nfs/dbraw/zinc/98/51/80/273985180.db2.gz VONVSMSEMMGKIW-NHYWBVRUSA-N 1 0 333.363 2.570 20 5 EFBDRO CCS(=O)(=O)CCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285459853 274003837 /nfs/dbraw/zinc/00/38/37/274003837.db2.gz ZEXVSVDGKBBYSK-UHFFFAOYSA-N 1 0 342.461 2.674 20 5 EFBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000285496174 274011658 /nfs/dbraw/zinc/01/16/58/274011658.db2.gz JARVLPYIXYYOTF-QGZVFWFLSA-N 1 0 335.404 2.781 20 5 EFBDRO COc1cccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000285567397 274026886 /nfs/dbraw/zinc/02/68/86/274026886.db2.gz JPHDIIZBOYFMTR-QGZVFWFLSA-N 1 0 330.388 2.900 20 5 EFBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285617828 274038758 /nfs/dbraw/zinc/03/87/58/274038758.db2.gz WGUSRGAGMZTARD-QWRGUYRKSA-N 1 0 330.331 2.958 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738249 274045500 /nfs/dbraw/zinc/04/55/00/274045500.db2.gz UTLGUXGWPGYJIS-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO Cc1c(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285848032 274086523 /nfs/dbraw/zinc/08/65/23/274086523.db2.gz PDYDIHLISQDQLG-CZUORRHYSA-N 1 0 331.416 2.531 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411978506 274086641 /nfs/dbraw/zinc/08/66/41/274086641.db2.gz ZCEIWMZVRANCFS-SJKOYZFVSA-N 1 0 335.404 2.635 20 5 EFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@@H+]1CCOC ZINC000286062818 274125806 /nfs/dbraw/zinc/12/58/06/274125806.db2.gz APIBUQKGIJZUJT-INIZCTEOSA-N 1 0 349.431 2.735 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286095267 274132662 /nfs/dbraw/zinc/13/26/62/274132662.db2.gz DYFHEJXVGLHKMY-PBWFPOADSA-N 1 0 347.415 2.691 20 5 EFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286103809 274134266 /nfs/dbraw/zinc/13/42/66/274134266.db2.gz UDBGGDMSZZBYKH-LSDHHAIUSA-N 1 0 349.431 2.939 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000286143605 274141947 /nfs/dbraw/zinc/14/19/47/274141947.db2.gz PONBVMLDDSVNKA-OAHLLOKOSA-N 1 0 334.420 2.517 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000286258635 274163925 /nfs/dbraw/zinc/16/39/25/274163925.db2.gz DHSUNYKZFCTMDI-BZNIZROVSA-N 1 0 325.359 2.789 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126485517 274175614 /nfs/dbraw/zinc/17/56/14/274175614.db2.gz LISQOMJNBYAQND-GFCCVEGCSA-N 1 0 337.445 2.557 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286325207 274178692 /nfs/dbraw/zinc/17/86/92/274178692.db2.gz WTVLBXQKFYYXOL-DVOMOZLQSA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286480232 274210272 /nfs/dbraw/zinc/21/02/72/274210272.db2.gz WOXSOLZKJARQCV-QWRGUYRKSA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000449092921 274231686 /nfs/dbraw/zinc/23/16/86/274231686.db2.gz VWSHPBHIWABAGV-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286671991 274247758 /nfs/dbraw/zinc/24/77/58/274247758.db2.gz PMCUIQXPNBVJLT-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000286702754 274255062 /nfs/dbraw/zinc/25/50/62/274255062.db2.gz AFDPASFULCMMHI-LSDHHAIUSA-N 1 0 331.416 2.909 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740189 274263120 /nfs/dbraw/zinc/26/31/20/274263120.db2.gz YBPKXQGWLGTKIH-OLZOCXBDSA-N 1 0 332.322 2.896 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740200 274263291 /nfs/dbraw/zinc/26/32/91/274263291.db2.gz YBPKXQGWLGTKIH-STQMWFEESA-N 1 0 332.322 2.896 20 5 EFBDRO C[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286752078 274265793 /nfs/dbraw/zinc/26/57/93/274265793.db2.gz OQBYRHVNTOROHZ-INIZCTEOSA-N 1 0 326.400 2.540 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286765838 274269059 /nfs/dbraw/zinc/26/90/59/274269059.db2.gz ZMMKZDGVOFMKQV-TZMCWYRMSA-N 1 0 332.322 2.630 20 5 EFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000286829366 274281695 /nfs/dbraw/zinc/28/16/95/274281695.db2.gz YKBLFJCTAVQARR-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286930957 274303388 /nfs/dbraw/zinc/30/33/88/274303388.db2.gz DSRAWHCILQDWKM-YOEHRIQHSA-N 1 0 331.416 2.531 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286940611 274305809 /nfs/dbraw/zinc/30/58/09/274305809.db2.gz NVIOMUVWEXAZDB-WFASDCNBSA-N 1 0 334.376 2.562 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286988797 274316234 /nfs/dbraw/zinc/31/62/34/274316234.db2.gz QIRJWQXZUGZLKC-BZNIZROVSA-N 1 0 325.359 2.932 20 5 EFBDRO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000286987892 274316252 /nfs/dbraw/zinc/31/62/52/274316252.db2.gz OXMAYTGVKMRMCL-UKRRQHHQSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000287023235 274324292 /nfs/dbraw/zinc/32/42/92/274324292.db2.gz FHFCBYNETTUPOE-NTIGPLPUSA-N 1 0 346.431 2.922 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287047961 274329607 /nfs/dbraw/zinc/32/96/07/274329607.db2.gz SNXZLRPAYORARL-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287261128 274380289 /nfs/dbraw/zinc/38/02/89/274380289.db2.gz HGPJRZUWNAYZGQ-UHFFFAOYSA-N 1 0 331.372 2.517 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287271095 274382207 /nfs/dbraw/zinc/38/22/07/274382207.db2.gz LEXMWEJXONKMGY-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287328815 274395912 /nfs/dbraw/zinc/39/59/12/274395912.db2.gz OOTLQXJMKBZQDW-JJRVBVJISA-N 1 0 346.431 2.924 20 5 EFBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCCO ZINC000287431150 274418867 /nfs/dbraw/zinc/41/88/67/274418867.db2.gz SXLOIGQIBBOFSV-GOEBONIOSA-N 1 0 336.432 2.683 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000287495611 274432551 /nfs/dbraw/zinc/43/25/51/274432551.db2.gz NMVBWAQSXBXQJE-GDBMZVCRSA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000287630137 274460644 /nfs/dbraw/zinc/46/06/44/274460644.db2.gz QEYOINQNNLOMHW-UKRRQHHQSA-N 1 0 332.404 2.994 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000288156715 274537913 /nfs/dbraw/zinc/53/79/13/274537913.db2.gz OWPYSVLYUWUWHG-CYBMUJFWSA-N 1 0 333.392 2.962 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288629241 274632518 /nfs/dbraw/zinc/63/25/18/274632518.db2.gz RLYLWVWFGVLCPA-ZWNOBZJWSA-N 1 0 325.796 2.595 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000182918435 274763568 /nfs/dbraw/zinc/76/35/68/274763568.db2.gz NFXGHMLFRVYVRX-CQSZACIVSA-N 1 0 346.431 2.844 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100704 275029230 /nfs/dbraw/zinc/02/92/30/275029230.db2.gz NMRLAFZKFAWRQE-WMLDXEAASA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360836425 275040137 /nfs/dbraw/zinc/04/01/37/275040137.db2.gz SERCGIJPINLGCU-JQHSSLGASA-N 1 0 348.443 2.683 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000245543066 275040145 /nfs/dbraw/zinc/04/01/45/275040145.db2.gz LPLVARMDEUDBGK-LXZKKBNFSA-N 1 0 336.457 2.764 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227535118 275041892 /nfs/dbraw/zinc/04/18/92/275041892.db2.gz VURFLIZLRCPJED-VHSXEESVSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192043581 275042038 /nfs/dbraw/zinc/04/20/38/275042038.db2.gz OXNJEBQKGQDMGL-CABCVRRESA-N 1 0 336.779 2.565 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000375935465 275535214 /nfs/dbraw/zinc/53/52/14/275535214.db2.gz VVYFUPAWVULBIA-DOMZBBRYSA-N 1 0 331.416 2.716 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000430733517 275815806 /nfs/dbraw/zinc/81/58/06/275815806.db2.gz RSDQLGZQCCHNJA-CQSZACIVSA-N 1 0 337.445 2.581 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000043008728 275890863 /nfs/dbraw/zinc/89/08/63/275890863.db2.gz XJADGTIZLHAZBP-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000341698256 276103409 /nfs/dbraw/zinc/10/34/09/276103409.db2.gz LXSPQLDGXCSAFI-CHWSQXEVSA-N 1 0 339.461 2.922 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000357416347 276251252 /nfs/dbraw/zinc/25/12/52/276251252.db2.gz GZXCAZVBKFVAAD-LLVKDONJSA-N 1 0 326.372 2.976 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000360875869 276327624 /nfs/dbraw/zinc/32/76/24/276327624.db2.gz ZLIRVZXHHXNYQN-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347490179 277040940 /nfs/dbraw/zinc/04/09/40/277040940.db2.gz GXIOEYVDDVMBMS-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545821 277176983 /nfs/dbraw/zinc/17/69/83/277176983.db2.gz YGAUSOJBKJNDQH-STQMWFEESA-N 1 0 338.408 2.596 20 5 EFBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415432901 277279666 /nfs/dbraw/zinc/27/96/66/277279666.db2.gz GJZIXNWCPNESDA-VIFPVBQESA-N 1 0 346.309 2.687 20 5 EFBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897779 277359979 /nfs/dbraw/zinc/35/99/79/277359979.db2.gz DSIIUQMKZAENFD-MAUKXSAKSA-N 1 0 349.431 2.693 20 5 EFBDRO COc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000451610346 277378065 /nfs/dbraw/zinc/37/80/65/277378065.db2.gz KFPVIPBJHLWMMM-CXAGYDPISA-N 1 0 338.379 2.629 20 5 EFBDRO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000344981182 277396673 /nfs/dbraw/zinc/39/66/73/277396673.db2.gz HMMOTPZQXHEYLI-YPMHNXCESA-N 1 0 329.356 2.839 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000411965451 277699171 /nfs/dbraw/zinc/69/91/71/277699171.db2.gz FKCJEIKDEOZQRH-SJCJKPOMSA-N 1 0 335.404 2.635 20 5 EFBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159691884 278019950 /nfs/dbraw/zinc/01/99/50/278019950.db2.gz PTBAJZDGJIBGEM-KRWDZBQOSA-N 1 0 343.383 2.602 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000188486806 278188053 /nfs/dbraw/zinc/18/80/53/278188053.db2.gz FRKKKYIABXSEIP-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341056042 278257173 /nfs/dbraw/zinc/25/71/73/278257173.db2.gz MFWIZNCMWDLYBK-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295674 278257238 /nfs/dbraw/zinc/25/72/38/278257238.db2.gz YSYFCZQBIYQJHE-NEPJUHHUSA-N 1 0 338.383 2.976 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351807 278281341 /nfs/dbraw/zinc/28/13/41/278281341.db2.gz LHTAKXAPKYAPNN-JQWIXIFHSA-N 1 0 345.321 2.799 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000449264296 278298889 /nfs/dbraw/zinc/29/88/89/278298889.db2.gz OJADJNWMUVCJKS-QANKJYHBSA-N 1 0 344.415 2.769 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070543542 278313316 /nfs/dbraw/zinc/31/33/16/278313316.db2.gz NDFDXJVHJMKRDW-NXEZZACHSA-N 1 0 328.210 2.921 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000170923080 278325511 /nfs/dbraw/zinc/32/55/11/278325511.db2.gz VWBMYXZOGQGUCB-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000354083380 278366495 /nfs/dbraw/zinc/36/64/95/278366495.db2.gz BSKDRZAOAPEYJN-JTQLQIEISA-N 1 0 328.210 2.888 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365736737 278369440 /nfs/dbraw/zinc/36/94/40/278369440.db2.gz UPPHLHLHTCAKDV-UKRRQHHQSA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1cc(N2CCCC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097370722 278708583 /nfs/dbraw/zinc/70/85/83/278708583.db2.gz JXVLIYUVQMQTLH-UHFFFAOYSA-N 1 0 329.356 2.795 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414266890 278965140 /nfs/dbraw/zinc/96/51/40/278965140.db2.gz SJGMFMYNGLSEAM-SMKXDYDZSA-N 1 0 344.415 2.821 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000345476359 279188065 /nfs/dbraw/zinc/18/80/65/279188065.db2.gz RRPYMDBHLKAPER-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338766865 279203267 /nfs/dbraw/zinc/20/32/67/279203267.db2.gz AOLIGPLJYFHDGG-CYBMUJFWSA-N 1 0 339.461 2.922 20 5 EFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288793 279270296 /nfs/dbraw/zinc/27/02/96/279270296.db2.gz OCKFVHDCXJYHDX-IAQYHMDHSA-N 1 0 340.445 2.730 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639588 279303879 /nfs/dbraw/zinc/30/38/79/279303879.db2.gz GKGPXUDHXUYYSM-GFCCVEGCSA-N 1 0 332.404 2.766 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133515205 279322460 /nfs/dbraw/zinc/32/24/60/279322460.db2.gz DAJIIBXEGKLXQP-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000356789079 279371301 /nfs/dbraw/zinc/37/13/01/279371301.db2.gz FWXUPTMFQXMDMT-VXGBXAGGSA-N 1 0 325.384 2.682 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000237043100 279497927 /nfs/dbraw/zinc/49/79/27/279497927.db2.gz CAQIPHDFICUFKC-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453440738 280159436 /nfs/dbraw/zinc/15/94/36/280159436.db2.gz WBZWSABQKMPHPY-QIIPPGSGSA-N 1 0 331.416 2.564 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159526086 280181940 /nfs/dbraw/zinc/18/19/40/280181940.db2.gz MGZLOOCROBDQKB-PHIMTYICSA-N 1 0 343.305 2.580 20 5 EFBDRO Cc1cc(NCC2([NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445596046 280299301 /nfs/dbraw/zinc/29/93/01/280299301.db2.gz JDPJHIATEZQISF-UHFFFAOYSA-N 1 0 341.415 2.678 20 5 EFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCCO2 ZINC000181974111 280325962 /nfs/dbraw/zinc/32/59/62/280325962.db2.gz AGVCSMUWPGGOEA-KRWDZBQOSA-N 1 0 346.387 2.549 20 5 EFBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360066030 280626693 /nfs/dbraw/zinc/62/66/93/280626693.db2.gz MSMVDHCEFAAAFW-CYBMUJFWSA-N 1 0 325.384 2.547 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000073052235 280987257 /nfs/dbraw/zinc/98/72/57/280987257.db2.gz PCZFOIKSIFGHJF-KRWDZBQOSA-N 1 0 345.399 2.659 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000058297077 292666927 /nfs/dbraw/zinc/66/69/27/292666927.db2.gz AKRWFZIVYYSEBK-UHFFFAOYSA-N 1 0 331.347 2.942 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376486115 288983695 /nfs/dbraw/zinc/98/36/95/288983695.db2.gz GVEWLDUNSYLIMN-RISCZKNCSA-N 1 0 337.807 2.947 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000076170946 292750447 /nfs/dbraw/zinc/75/04/47/292750447.db2.gz XDNQNALOPBDBNA-LBPRGKRZSA-N 1 0 325.434 2.897 20 5 EFBDRO C[NH+](C)CCN(CCCc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000081018835 292810130 /nfs/dbraw/zinc/81/01/30/292810130.db2.gz WBTBYONSQXTHIM-UHFFFAOYSA-N 1 0 328.416 2.991 20 5 EFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[NH+]1CCCC1 ZINC000089898035 292845114 /nfs/dbraw/zinc/84/51/14/292845114.db2.gz RZAYQJJAKVAKKP-UHFFFAOYSA-N 1 0 344.415 2.820 20 5 EFBDRO CCC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090882112 292857852 /nfs/dbraw/zinc/85/78/52/292857852.db2.gz KFDOMXGDOROAGV-INIZCTEOSA-N 1 0 340.445 2.850 20 5 EFBDRO CC(C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000125760966 293015470 /nfs/dbraw/zinc/01/54/70/293015470.db2.gz KVAFGBLKUGMHOF-UHFFFAOYSA-N 1 0 342.399 2.863 20 5 EFBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCCO1 ZINC000126007193 293024589 /nfs/dbraw/zinc/02/45/89/293024589.db2.gz IPKGYHICJWNARO-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126064731 293026586 /nfs/dbraw/zinc/02/65/86/293026586.db2.gz RKANCISYSBWTMM-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126363534 293036505 /nfs/dbraw/zinc/03/65/05/293036505.db2.gz GKKLMXPORVMFOZ-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCCCCC1 ZINC000129820324 293144456 /nfs/dbraw/zinc/14/44/56/293144456.db2.gz CTVFVJZQGHKBNN-AWEZNQCLSA-N 1 0 349.431 2.987 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000130237205 293158180 /nfs/dbraw/zinc/15/81/80/293158180.db2.gz RSNFOHVYOVLCDA-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C2CC2)cc1 ZINC000130897245 293181421 /nfs/dbraw/zinc/18/14/21/293181421.db2.gz RIABZKMAZVXPAE-QGZVFWFLSA-N 1 0 346.383 2.730 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000131784990 293208195 /nfs/dbraw/zinc/20/81/95/293208195.db2.gz CGAYPCLHKYSDOW-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153488594 293378195 /nfs/dbraw/zinc/37/81/95/293378195.db2.gz AXLHRWPSXMHQOQ-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255831077 293885991 /nfs/dbraw/zinc/88/59/91/293885991.db2.gz MDZNXJFOXBDHRT-KTKRTIGZSA-N 1 0 343.383 2.791 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000289873391 293933532 /nfs/dbraw/zinc/93/35/32/293933532.db2.gz VWCHHHWBNGWGPD-HIFRSBDPSA-N 1 0 349.431 2.671 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)nc2c1 ZINC000289908812 293943962 /nfs/dbraw/zinc/94/39/62/293943962.db2.gz XUUOEEYLUXFZKE-UFBFGSQYSA-N 1 0 344.293 2.671 20 5 EFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000290162930 294015394 /nfs/dbraw/zinc/01/53/94/294015394.db2.gz MBLCGCLHKORTFJ-KRWDZBQOSA-N 1 0 338.404 2.597 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290166778 294016921 /nfs/dbraw/zinc/01/69/21/294016921.db2.gz MIJACIGKAQTQJW-CZUORRHYSA-N 1 0 343.387 2.558 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000290544111 294116215 /nfs/dbraw/zinc/11/62/15/294116215.db2.gz IQTWRLDUQCPWQZ-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000290544115 294116413 /nfs/dbraw/zinc/11/64/13/294116413.db2.gz IQTWRLDUQCPWQZ-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO CCCN(CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290546905 294116918 /nfs/dbraw/zinc/11/69/18/294116918.db2.gz ROAMIBCMDIBYPZ-UHFFFAOYSA-N 1 0 339.436 2.776 20 5 EFBDRO CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290821901 294195214 /nfs/dbraw/zinc/19/52/14/294195214.db2.gz HDYJQGDMAFDKSM-UHFFFAOYSA-N 1 0 334.203 2.906 20 5 EFBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845427 294201284 /nfs/dbraw/zinc/20/12/84/294201284.db2.gz JHCRJDMBLPCJOB-QOLSBQFWSA-N 1 0 325.217 2.758 20 5 EFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@@H+]1C1CC1 ZINC000290871180 294207821 /nfs/dbraw/zinc/20/78/21/294207821.db2.gz ZQTRZHYGDSYEQJ-RYUDHWBXSA-N 1 0 346.387 2.589 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000290869501 294208182 /nfs/dbraw/zinc/20/81/82/294208182.db2.gz IYQUUZNIQPINLL-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290871279 294208356 /nfs/dbraw/zinc/20/83/56/294208356.db2.gz ZSTQVZSJAGDHPD-SMDDNHRTSA-N 1 0 344.415 2.524 20 5 EFBDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290884778 294211784 /nfs/dbraw/zinc/21/17/84/294211784.db2.gz MINRZBSIVDFJKD-GFCCVEGCSA-N 1 0 348.230 2.712 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291036839 294254818 /nfs/dbraw/zinc/25/48/18/294254818.db2.gz HROBNINQTRFGOO-UHFFFAOYSA-N 1 0 341.367 2.648 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291245145 294322721 /nfs/dbraw/zinc/32/27/21/294322721.db2.gz LMANVPPXLREFHO-IBGZPJMESA-N 1 0 342.395 2.739 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291300714 294341092 /nfs/dbraw/zinc/34/10/92/294341092.db2.gz WRNOADXKZGXGDW-LLVKDONJSA-N 1 0 331.372 2.879 20 5 EFBDRO CON(C)C(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000291979769 294541206 /nfs/dbraw/zinc/54/12/06/294541206.db2.gz WFLHMVORMKSMMV-ZDUSSCGKSA-N 1 0 335.404 2.696 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000292633623 294743078 /nfs/dbraw/zinc/74/30/78/294743078.db2.gz JRRIKDMMOLJXFK-ZDUSSCGKSA-N 1 0 337.420 2.636 20 5 EFBDRO CCOc1cc(C[NH+]2CCC3(CC2)OCCCO3)ccc1[N+](=O)[O-] ZINC000292995213 294847259 /nfs/dbraw/zinc/84/72/59/294847259.db2.gz MPJKMJQINBIALJ-UHFFFAOYSA-N 1 0 336.388 2.723 20 5 EFBDRO COc1c(C(=O)N(CC[NH+](C)C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000355983674 294883858 /nfs/dbraw/zinc/88/38/58/294883858.db2.gz HOQYZSAXZNRUJZ-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293654999 295020503 /nfs/dbraw/zinc/02/05/03/295020503.db2.gz IQIAZEPCUQHRLK-LBPRGKRZSA-N 1 0 335.379 2.680 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293819579 295056563 /nfs/dbraw/zinc/05/65/63/295056563.db2.gz ZHOWKWGBHGENED-VSGCLNPGSA-N 1 0 343.427 2.941 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000293819576 295056619 /nfs/dbraw/zinc/05/66/19/295056619.db2.gz ZHOWKWGBHGENED-JOZWUWCOSA-N 1 0 343.427 2.941 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000293900112 295075098 /nfs/dbraw/zinc/07/50/98/295075098.db2.gz HBONWSSJJMXEIC-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000294101605 295111116 /nfs/dbraw/zinc/11/11/16/295111116.db2.gz KSURYMUTSVMDKI-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294380752 295157552 /nfs/dbraw/zinc/15/75/52/295157552.db2.gz ZYUKYMOXKGBIFX-GOSISDBHSA-N 1 0 347.415 2.551 20 5 EFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000294388275 295158489 /nfs/dbraw/zinc/15/84/89/295158489.db2.gz INAINQLPAFGVDH-UHFFFAOYSA-N 1 0 348.447 2.603 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000294513103 295178591 /nfs/dbraw/zinc/17/85/91/295178591.db2.gz HPQJICMCQAGAJB-VIFPVBQESA-N 1 0 345.321 2.826 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348520579 295185703 /nfs/dbraw/zinc/18/57/03/295185703.db2.gz KRGXKWKDGYBHHQ-WCQYABFASA-N 1 0 346.330 2.732 20 5 EFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594352 295191415 /nfs/dbraw/zinc/19/14/15/295191415.db2.gz CZUDLASTRRNPBD-LLVKDONJSA-N 1 0 331.420 2.886 20 5 EFBDRO CC(C)(CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000294636527 295198225 /nfs/dbraw/zinc/19/82/25/295198225.db2.gz URUULJLPQWOVPO-UHFFFAOYSA-N 1 0 347.459 2.850 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1O ZINC000294759470 295222161 /nfs/dbraw/zinc/22/21/61/295222161.db2.gz IZAZUTMQCXHDQG-OAHLLOKOSA-N 1 0 346.383 2.656 20 5 EFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000294764277 295223111 /nfs/dbraw/zinc/22/31/11/295223111.db2.gz JJFPQOALHFPEPB-BDJLRTHQSA-N 1 0 326.393 2.763 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294799958 295229668 /nfs/dbraw/zinc/22/96/68/295229668.db2.gz BSBNZWNPAHWEIP-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294827439 295233400 /nfs/dbraw/zinc/23/34/00/295233400.db2.gz LBBVCBMHPFYBOA-OLZOCXBDSA-N 1 0 337.445 2.724 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294870456 295239177 /nfs/dbraw/zinc/23/91/77/295239177.db2.gz GVZDDEUKYWUSOM-CABCVRRESA-N 1 0 347.415 2.547 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)cc1[N+](=O)[O-] ZINC000294889552 295241783 /nfs/dbraw/zinc/24/17/83/295241783.db2.gz WHUZATGVSGTUEC-MRXNPFEDSA-N 1 0 330.384 2.951 20 5 EFBDRO CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898958 295242750 /nfs/dbraw/zinc/24/27/50/295242750.db2.gz XBVRKOQIUQEKPV-GFCCVEGCSA-N 1 0 341.795 2.911 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000294951762 295249942 /nfs/dbraw/zinc/24/99/42/295249942.db2.gz MOVBALMDAKXBOO-TZMCWYRMSA-N 1 0 337.807 2.805 20 5 EFBDRO CS[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295018126 295258180 /nfs/dbraw/zinc/25/81/80/295258180.db2.gz KFYFYXOMZMUJEH-HNNXBMFYSA-N 1 0 332.429 2.933 20 5 EFBDRO C[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295260041 295289177 /nfs/dbraw/zinc/28/91/77/295289177.db2.gz KUMFQODXFULJKV-INIZCTEOSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](C2CC2)C1 ZINC000295330129 295301730 /nfs/dbraw/zinc/30/17/30/295301730.db2.gz LUAQBLSGVSDGQO-GFCCVEGCSA-N 1 0 342.399 2.632 20 5 EFBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000295481479 295327846 /nfs/dbraw/zinc/32/78/46/295327846.db2.gz ZTZPQWXFPRDERS-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295513448 295333701 /nfs/dbraw/zinc/33/37/01/295333701.db2.gz HTLGTTVXBMJUSD-MRZGDXHCSA-N 1 0 329.400 2.551 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000295635030 295352736 /nfs/dbraw/zinc/35/27/36/295352736.db2.gz XUBZWADXLUTPSS-OAHLLOKOSA-N 1 0 349.431 2.843 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000295821601 295381182 /nfs/dbraw/zinc/38/11/82/295381182.db2.gz BXMCCRJYDLXSQC-PBHICJAKSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844432 295384882 /nfs/dbraw/zinc/38/48/82/295384882.db2.gz DGQBOBMRIBMYKQ-VCTAVGKDSA-N 1 0 346.387 2.794 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912715 295395773 /nfs/dbraw/zinc/39/57/73/295395773.db2.gz DVOFKJULHFFQNH-ZIAGYGMSSA-N 1 0 349.431 2.713 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295925908 295397919 /nfs/dbraw/zinc/39/79/19/295397919.db2.gz SBINEJXZCRBFST-JTQLQIEISA-N 1 0 345.321 2.637 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000296133875 295429575 /nfs/dbraw/zinc/42/95/75/295429575.db2.gz WUMSFCXZZQLIKF-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000296133870 295429626 /nfs/dbraw/zinc/42/96/26/295429626.db2.gz WUMSFCXZZQLIKF-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296163987 295434456 /nfs/dbraw/zinc/43/44/56/295434456.db2.gz SXGZWHJKKIEXNX-HIFRSBDPSA-N 1 0 348.447 2.646 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229071 295444755 /nfs/dbraw/zinc/44/47/55/295444755.db2.gz WMEGOXOYPHAHOS-STQMWFEESA-N 1 0 345.403 2.797 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296354943 295462978 /nfs/dbraw/zinc/46/29/78/295462978.db2.gz RWXBOLYBYVOUKR-IAOVAPTHSA-N 1 0 348.399 2.529 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296354956 295462997 /nfs/dbraw/zinc/46/29/97/295462997.db2.gz RWXBOLYBYVOUKR-XYPHTWIQSA-N 1 0 348.399 2.529 20 5 EFBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000348014221 298149437 /nfs/dbraw/zinc/14/94/37/298149437.db2.gz MDMQHINJUBWIFV-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]2CCCCN12 ZINC000374503526 304649010 /nfs/dbraw/zinc/64/90/10/304649010.db2.gz JFBRVVUUWURIOC-RYRKJORJSA-N 1 0 343.427 2.659 20 5 EFBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159769522 302036415 /nfs/dbraw/zinc/03/64/15/302036415.db2.gz LCSILJADMRUBAX-QGZVFWFLSA-N 1 0 327.384 2.902 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000357386972 303376640 /nfs/dbraw/zinc/37/66/40/303376640.db2.gz ZHGSLARESTXYRJ-UHFFFAOYSA-N 1 0 348.447 2.764 20 5 EFBDRO CCC(CC)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793408 310791502 /nfs/dbraw/zinc/79/15/02/310791502.db2.gz JOVUCLYWZPOKAX-ROUUACIJSA-N 1 0 346.431 2.919 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180401608 310798960 /nfs/dbraw/zinc/79/89/60/310798960.db2.gz SKBPEQYXEHCQRR-LBPRGKRZSA-N 1 0 331.347 2.701 20 5 EFBDRO Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296600057 310828709 /nfs/dbraw/zinc/82/87/09/310828709.db2.gz SRUXYBMHNBIVCT-CQSZACIVSA-N 1 0 331.376 2.925 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000296620533 310831214 /nfs/dbraw/zinc/83/12/14/310831214.db2.gz BMXCKDDGWSMALS-GFCCVEGCSA-N 1 0 334.351 2.520 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296651460 310834296 /nfs/dbraw/zinc/83/42/96/310834296.db2.gz DGFJMYZRGUCKPU-DOTOQJQBSA-N 1 0 333.432 2.941 20 5 EFBDRO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000297010017 310841544 /nfs/dbraw/zinc/84/15/44/310841544.db2.gz GKOVKPOKAXBFJO-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297094339 310851605 /nfs/dbraw/zinc/85/16/05/310851605.db2.gz KTLLRYXNVZEWAY-CYBMUJFWSA-N 1 0 340.383 2.602 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303974 310878515 /nfs/dbraw/zinc/87/85/15/310878515.db2.gz HYCFSXQXKUKOAX-KGLIPLIRSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000297346988 310884172 /nfs/dbraw/zinc/88/41/72/310884172.db2.gz IVPILAZIZBFWFM-ZWNOBZJWSA-N 1 0 346.412 2.670 20 5 EFBDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297718372 310924142 /nfs/dbraw/zinc/92/41/42/310924142.db2.gz SHWGCEGLERDZCC-ZDUSSCGKSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297802407 310931233 /nfs/dbraw/zinc/93/12/33/310931233.db2.gz YEQBKQUQXDCCKT-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000297839921 310934214 /nfs/dbraw/zinc/93/42/14/310934214.db2.gz WLZGTKHMPHUMKI-CQSZACIVSA-N 1 0 342.399 2.677 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298708707 311016611 /nfs/dbraw/zinc/01/66/11/311016611.db2.gz FVSCFPNARAQMTE-STQMWFEESA-N 1 0 338.795 2.997 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298760611 311021028 /nfs/dbraw/zinc/02/10/28/311021028.db2.gz RCPNIXQZFQAFOQ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000299039517 311044223 /nfs/dbraw/zinc/04/42/23/311044223.db2.gz ZRULNTTVYNKDQL-RCBQFDQVSA-N 1 0 332.404 2.582 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299078659 311048720 /nfs/dbraw/zinc/04/87/20/311048720.db2.gz RZVITSDPJVJGPZ-SJORKVTESA-N 1 0 346.431 2.530 20 5 EFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCCCC[NH+]1CCCC1 ZINC000299193288 311060772 /nfs/dbraw/zinc/06/07/72/311060772.db2.gz JXTPHEBLAHCLCQ-UHFFFAOYSA-N 1 0 349.435 2.547 20 5 EFBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231063 311063671 /nfs/dbraw/zinc/06/36/71/311063671.db2.gz PWFVHFPWHBDXQO-KGLIPLIRSA-N 1 0 335.404 2.731 20 5 EFBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000299254972 311065769 /nfs/dbraw/zinc/06/57/69/311065769.db2.gz DMYUSVQRDOSXRI-SNVBAGLBSA-N 1 0 329.784 2.544 20 5 EFBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000299261209 311066768 /nfs/dbraw/zinc/06/67/68/311066768.db2.gz TXSZTUDTIOYPDM-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299375121 311078277 /nfs/dbraw/zinc/07/82/77/311078277.db2.gz LUPPOMAZIJOVRV-HNNXBMFYSA-N 1 0 334.372 2.838 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299424527 311083298 /nfs/dbraw/zinc/08/32/98/311083298.db2.gz JLNPYVGRHLVAHB-UHFFFAOYSA-N 1 0 348.428 2.626 20 5 EFBDRO CN(c1ccc([N+](=O)[O-])cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299481993 311089415 /nfs/dbraw/zinc/08/94/15/311089415.db2.gz AHMLWGDUIUICQF-UHFFFAOYSA-N 1 0 341.415 2.528 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299528818 311093826 /nfs/dbraw/zinc/09/38/26/311093826.db2.gz MRLCZQBSIZPERN-ZNFPLGDCSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299716571 311113715 /nfs/dbraw/zinc/11/37/15/311113715.db2.gz XJQUYKNXNHJZSC-HZPDHXFCSA-N 1 0 332.448 2.590 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000301107994 311119179 /nfs/dbraw/zinc/11/91/79/311119179.db2.gz NDUDSGZGKYOVHB-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301113217 311119665 /nfs/dbraw/zinc/11/96/65/311119665.db2.gz PRSVJJAJDJLOQG-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO Nc1nc(NCC2([NH+]3CCCCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301158963 311121788 /nfs/dbraw/zinc/12/17/88/311121788.db2.gz OIMMOJMUMYGDAC-UHFFFAOYSA-N 1 0 334.424 2.568 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000301189605 311123489 /nfs/dbraw/zinc/12/34/89/311123489.db2.gz LAYAGKIDZHCDIE-UHFFFAOYSA-N 1 0 348.790 2.978 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000301274060 311128487 /nfs/dbraw/zinc/12/84/87/311128487.db2.gz KLGDVQDLFVEBDG-ZFWWWQNUSA-N 1 0 335.452 2.728 20 5 EFBDRO COC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301404612 311135654 /nfs/dbraw/zinc/13/56/54/311135654.db2.gz KYVQHZLWYFUKFI-LLVKDONJSA-N 1 0 347.337 2.771 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000301416477 311136403 /nfs/dbraw/zinc/13/64/03/311136403.db2.gz QWNQMHPCMWUYNP-GFCCVEGCSA-N 1 0 327.331 2.871 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301534530 311143124 /nfs/dbraw/zinc/14/31/24/311143124.db2.gz LJNSHQZLWWYYEK-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301573906 311145373 /nfs/dbraw/zinc/14/53/73/311145373.db2.gz ZCJMTBVKACRBQT-ZDUSSCGKSA-N 1 0 327.812 2.753 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301573837 311145382 /nfs/dbraw/zinc/14/53/82/311145382.db2.gz ZBNYJXNDQVFQAY-HNNXBMFYSA-N 1 0 346.431 2.773 20 5 EFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000301574582 311145422 /nfs/dbraw/zinc/14/54/22/311145422.db2.gz ZGGHWCBRXUPTGR-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000301575013 311145599 /nfs/dbraw/zinc/14/55/99/311145599.db2.gz QCQINDIWTYPHGK-QGZVFWFLSA-N 1 0 341.411 2.734 20 5 EFBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301574553 311145655 /nfs/dbraw/zinc/14/56/55/311145655.db2.gz YHLBCXOZDKXUHE-UHFFFAOYSA-N 1 0 343.225 2.673 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301583825 311145885 /nfs/dbraw/zinc/14/58/85/311145885.db2.gz OHZDLNSMJFNFAC-QWRGUYRKSA-N 1 0 331.376 2.528 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000301742464 311155946 /nfs/dbraw/zinc/15/59/46/311155946.db2.gz YSMVNUFAEQSZSD-SJLPKXTDSA-N 1 0 341.411 2.890 20 5 EFBDRO Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984738 311170340 /nfs/dbraw/zinc/17/03/40/311170340.db2.gz CDTCOHQGSNSHPV-ZDUSSCGKSA-N 1 0 344.415 2.832 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000302055247 311175117 /nfs/dbraw/zinc/17/51/17/311175117.db2.gz PXVZJRGFLZXTDH-GJZGRUSLSA-N 1 0 349.479 2.982 20 5 EFBDRO Cc1cc(NCC2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302093430 311177456 /nfs/dbraw/zinc/17/74/56/311177456.db2.gz QVRLXMTVWAOVQU-UHFFFAOYSA-N 1 0 349.412 2.688 20 5 EFBDRO Cc1cc(N(C)CCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302132831 311179554 /nfs/dbraw/zinc/17/95/54/311179554.db2.gz CIZHKVYPFLKDRC-UHFFFAOYSA-N 1 0 328.372 2.510 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000302146656 311180421 /nfs/dbraw/zinc/18/04/21/311180421.db2.gz KWRKOAXNOLLJLU-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302161934 311181631 /nfs/dbraw/zinc/18/16/31/311181631.db2.gz HSQUUDFRFCWXJI-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO Cc1cc(N2CCC(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167833 311182001 /nfs/dbraw/zinc/18/20/01/311182001.db2.gz LKCDQIBHDNZWBY-UHFFFAOYSA-N 1 0 328.372 2.543 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302434743 311190118 /nfs/dbraw/zinc/19/01/18/311190118.db2.gz LYYDDLZOLCUSGQ-MNOVXSKESA-N 1 0 347.337 2.505 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000302545097 311192765 /nfs/dbraw/zinc/19/27/65/311192765.db2.gz UPAODMUCJGBFBS-HRCADAONSA-N 1 0 333.432 2.981 20 5 EFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000302568654 311193558 /nfs/dbraw/zinc/19/35/58/311193558.db2.gz XYGUTDWBQIIDQE-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304358612 311212141 /nfs/dbraw/zinc/21/21/41/311212141.db2.gz SVPSJYGSDGEEKR-SWLSCSKDSA-N 1 0 344.371 2.591 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313369057 311232420 /nfs/dbraw/zinc/23/24/20/311232420.db2.gz RFKNZDNJQIWTKW-KRWDZBQOSA-N 1 0 327.384 2.750 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000325005261 311242552 /nfs/dbraw/zinc/24/25/52/311242552.db2.gz CYWFSXMYISOMJR-CTEOGUNLSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000326493122 311244250 /nfs/dbraw/zinc/24/42/50/311244250.db2.gz YGXVWQVQEJPQOE-INIZCTEOSA-N 1 0 330.384 2.741 20 5 EFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326676605 311244335 /nfs/dbraw/zinc/24/43/35/311244335.db2.gz MLDKJZSHOUQQMS-SFHVURJKSA-N 1 0 344.411 2.729 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000330397653 311316709 /nfs/dbraw/zinc/31/67/09/311316709.db2.gz BWRRSDWVBNGXEJ-UHFFFAOYSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000330546072 311321275 /nfs/dbraw/zinc/32/12/75/311321275.db2.gz CCQCWKFZTFRWJO-CHWSQXEVSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000330573778 311322522 /nfs/dbraw/zinc/32/25/22/311322522.db2.gz NOFJQHDMXFCJRT-STQMWFEESA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330578818 311322911 /nfs/dbraw/zinc/32/29/11/311322911.db2.gz PIRULCIGHMDPFV-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000330649022 311327066 /nfs/dbraw/zinc/32/70/66/311327066.db2.gz OCGUGKOZBULEFP-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCNc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000330820158 311336763 /nfs/dbraw/zinc/33/67/63/311336763.db2.gz DGYDFEHJZGCVIH-CYBMUJFWSA-N 1 0 348.447 2.829 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000331002077 311348120 /nfs/dbraw/zinc/34/81/20/311348120.db2.gz QVOWLZUMQUQXIG-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000331236913 311362521 /nfs/dbraw/zinc/36/25/21/311362521.db2.gz HCULWEUDIGKOTE-OAHLLOKOSA-N 1 0 325.384 2.515 20 5 EFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299642 311365870 /nfs/dbraw/zinc/36/58/70/311365870.db2.gz VPLMWSGKFDJERT-JMSVASOKSA-N 1 0 346.387 2.626 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309593 311366777 /nfs/dbraw/zinc/36/67/77/311366777.db2.gz YITIGGPNXMHCKM-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331497070 311382907 /nfs/dbraw/zinc/38/29/07/311382907.db2.gz LFLBXRMXYPKGGN-LLVKDONJSA-N 1 0 343.305 2.580 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331590399 311394269 /nfs/dbraw/zinc/39/42/69/311394269.db2.gz YEQLNRJTKIUYIR-WBVHZDCISA-N 1 0 347.463 2.739 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331991449 311442231 /nfs/dbraw/zinc/44/22/31/311442231.db2.gz XZANBAPXPPGXFL-AHIWAGSCSA-N 1 0 349.406 2.923 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332070173 311450562 /nfs/dbraw/zinc/45/05/62/311450562.db2.gz BMMODXNMCKQEDI-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332388302 311497618 /nfs/dbraw/zinc/49/76/18/311497618.db2.gz CHFYQECYEHQJQS-HIFRSBDPSA-N 1 0 349.406 2.924 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332388305 311497722 /nfs/dbraw/zinc/49/77/22/311497722.db2.gz CHFYQECYEHQJQS-ZFWWWQNUSA-N 1 0 349.406 2.924 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413146223 312046315 /nfs/dbraw/zinc/04/63/15/312046315.db2.gz WRCGUTJOBXRNMV-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CCCCC1 ZINC000414832933 312055794 /nfs/dbraw/zinc/05/57/94/312055794.db2.gz FHCJIPBYEHZSKD-GUYCJALGSA-N 1 0 348.447 2.809 20 5 EFBDRO [NH3+]CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000415052114 312084277 /nfs/dbraw/zinc/08/42/77/312084277.db2.gz HPXXYEVPPQHKQO-JTQLQIEISA-N 1 0 343.252 2.566 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415443068 312139789 /nfs/dbraw/zinc/13/97/89/312139789.db2.gz QNIQPDGMAUMAHL-BDAKNGLRSA-N 1 0 346.309 2.815 20 5 EFBDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415447838 312140494 /nfs/dbraw/zinc/14/04/94/312140494.db2.gz UPANQTBDZWDVCW-ZDUSSCGKSA-N 1 0 346.309 2.863 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415451025 312140848 /nfs/dbraw/zinc/14/08/48/312140848.db2.gz XCDYEOOWYPYRCL-WCBMZHEXSA-N 1 0 346.309 2.876 20 5 EFBDRO COc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000415450975 312140852 /nfs/dbraw/zinc/14/08/52/312140852.db2.gz WZRZQZBSQWFPSA-CYBMUJFWSA-N 1 0 336.392 2.633 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415628946 312158488 /nfs/dbraw/zinc/15/84/88/312158488.db2.gz HDLIHJSCCJFPGP-RYUDHWBXSA-N 1 0 336.367 2.587 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415770834 312170726 /nfs/dbraw/zinc/17/07/26/312170726.db2.gz ZBQFCIWTEXJILH-MGPQQGTHSA-N 1 0 332.404 2.667 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308222 312207082 /nfs/dbraw/zinc/20/70/82/312207082.db2.gz HQRHPKASBJVJDE-WMLDXEAASA-N 1 0 331.416 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCOCC1)CCCC2 ZINC000417312563 312207380 /nfs/dbraw/zinc/20/73/80/312207380.db2.gz SNLRVENZFBDDRX-QGZVFWFLSA-N 1 0 334.416 2.741 20 5 EFBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417312000 312207436 /nfs/dbraw/zinc/20/74/36/312207436.db2.gz MYJNQDFTEREIOJ-YOEHRIQHSA-N 1 0 341.415 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)CCCC2 ZINC000417334270 312210525 /nfs/dbraw/zinc/21/05/25/312210525.db2.gz RFAHBWMGSFRJIC-IIDMSEBBSA-N 1 0 334.416 2.597 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)CCC2 ZINC000417394624 312217753 /nfs/dbraw/zinc/21/77/53/312217753.db2.gz VNYWWLKTYLQYJD-SWLSCSKDSA-N 1 0 325.359 2.901 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417712861 312259970 /nfs/dbraw/zinc/25/99/70/312259970.db2.gz FYGIATVHHACXOC-CVEARBPZSA-N 1 0 348.447 2.734 20 5 EFBDRO C[C@]1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417711009 312260116 /nfs/dbraw/zinc/26/01/16/312260116.db2.gz CRVJNJROEJZIFV-SFHVURJKSA-N 1 0 348.447 2.606 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000417713598 312260349 /nfs/dbraw/zinc/26/03/49/312260349.db2.gz GMULBNXXLLYYTH-MRXNPFEDSA-N 1 0 348.447 2.606 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417821654 312275728 /nfs/dbraw/zinc/27/57/28/312275728.db2.gz DPSSEJJUVRMWRM-HIFRSBDPSA-N 1 0 336.436 2.979 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417842049 312279632 /nfs/dbraw/zinc/27/96/32/312279632.db2.gz GLPZTKVNCNDIIA-GUTXKFCHSA-N 1 0 334.420 2.652 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417843951 312279917 /nfs/dbraw/zinc/27/99/17/312279917.db2.gz HDZRLJLWPMLGJY-UONOGXRCSA-N 1 0 334.420 2.605 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417843947 312280003 /nfs/dbraw/zinc/28/00/03/312280003.db2.gz HDZRLJLWPMLGJY-KBPBESRZSA-N 1 0 334.420 2.605 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000417845077 312280242 /nfs/dbraw/zinc/28/02/42/312280242.db2.gz IIQONZQDITXCFC-IUODEOHRSA-N 1 0 334.420 2.781 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848306 312281019 /nfs/dbraw/zinc/28/10/19/312281019.db2.gz KMUQBOSWZNKRCH-HIFRSBDPSA-N 1 0 334.420 2.748 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848307 312281080 /nfs/dbraw/zinc/28/10/80/312281080.db2.gz KMUQBOSWZNKRCH-UKRRQHHQSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417851201 312281605 /nfs/dbraw/zinc/28/16/05/312281605.db2.gz NEJRBFLMGOGJLV-HIFRSBDPSA-N 1 0 334.420 2.796 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417851172 312281741 /nfs/dbraw/zinc/28/17/41/312281741.db2.gz NBHAWHMIYBCYIY-LCGIIJARSA-N 1 0 346.431 2.652 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC(C[NH2+]C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417853737 312282304 /nfs/dbraw/zinc/28/23/04/312282304.db2.gz PCZLXWKPLVXOKN-MRXNPFEDSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417853294 312282382 /nfs/dbraw/zinc/28/23/82/312282382.db2.gz OROKZGMFJULRAK-CHWSQXEVSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417854853 312282663 /nfs/dbraw/zinc/28/26/63/312282663.db2.gz QIAXRKKOCKXGBW-UONOGXRCSA-N 1 0 334.420 2.735 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417856524 312283071 /nfs/dbraw/zinc/28/30/71/312283071.db2.gz SKDFMJHJFJTORP-CORIIIEPSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860494 312284279 /nfs/dbraw/zinc/28/42/79/312284279.db2.gz YGYDYKAQQLGGCX-ZLDLUXBVSA-N 1 0 334.420 2.591 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000417971235 312302868 /nfs/dbraw/zinc/30/28/68/312302868.db2.gz AMDSPICRAFMBOZ-SWLSCSKDSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000417977143 312303879 /nfs/dbraw/zinc/30/38/79/312303879.db2.gz GVCVUYICESPYRN-LBPRGKRZSA-N 1 0 340.383 2.758 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccccc2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000418039199 312314538 /nfs/dbraw/zinc/31/45/38/312314538.db2.gz SREYXTGUXBJFIY-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CN(C)C(=O)c1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000418052806 312317144 /nfs/dbraw/zinc/31/71/44/312317144.db2.gz XQUOHUOEUCEJFY-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418092192 312324140 /nfs/dbraw/zinc/32/41/40/312324140.db2.gz QXUOTRMJNVASBK-VIFPVBQESA-N 1 0 348.325 2.540 20 5 EFBDRO C[C@H](NC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418227235 312350406 /nfs/dbraw/zinc/35/04/06/312350406.db2.gz CBLBNNRGTAIENK-ZDUSSCGKSA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000418227471 312350575 /nfs/dbraw/zinc/35/05/75/312350575.db2.gz CJQFUPKGMFVPSC-WFASDCNBSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418238129 312352234 /nfs/dbraw/zinc/35/22/34/312352234.db2.gz WWSBUSIGVVBRCQ-IHRRRGAJSA-N 1 0 334.420 2.720 20 5 EFBDRO C[C@@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[NH2+]C1 ZINC000418512183 312360609 /nfs/dbraw/zinc/36/06/09/312360609.db2.gz DUXFOCOZTQYOSM-GOSISDBHSA-N 1 0 346.431 2.659 20 5 EFBDRO C[N@H+](CCCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000420587565 312373930 /nfs/dbraw/zinc/37/39/30/312373930.db2.gz PTQCCTMADBIVFO-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420589119 312374019 /nfs/dbraw/zinc/37/40/19/312374019.db2.gz STNREFSHFUPPEG-KBPBESRZSA-N 1 0 348.447 2.864 20 5 EFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420640159 312377656 /nfs/dbraw/zinc/37/76/56/312377656.db2.gz SJNUAIMULDLJSI-INIZCTEOSA-N 1 0 341.415 2.891 20 5 EFBDRO Cc1c(Br)c(N(C)C[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420641063 312377664 /nfs/dbraw/zinc/37/76/64/312377664.db2.gz UHPSAGBIUSPMKO-SNVBAGLBSA-N 1 0 343.225 2.591 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424010286 312495469 /nfs/dbraw/zinc/49/54/69/312495469.db2.gz IIMSYNJYWBXUNF-FRRDWIJNSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424052252 312504040 /nfs/dbraw/zinc/50/40/40/312504040.db2.gz MBKHDYDTUGZTSV-OUAUKWLOSA-N 1 0 325.796 2.694 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432310537 312555298 /nfs/dbraw/zinc/55/52/98/312555298.db2.gz BVEDRKSLLBNQNI-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000432315507 312555556 /nfs/dbraw/zinc/55/55/56/312555556.db2.gz ZQLMYENSZYRBCA-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3CC(O)C3)cs2)c1 ZINC000432351902 312559188 /nfs/dbraw/zinc/55/91/88/312559188.db2.gz SFWBREHWWMKRKK-UHFFFAOYSA-N 1 0 333.413 2.969 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000432721977 312579090 /nfs/dbraw/zinc/57/90/90/312579090.db2.gz HGMRIWKZXBJAPD-UHFFFAOYSA-N 1 0 336.367 2.872 20 5 EFBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000439104956 312633723 /nfs/dbraw/zinc/63/37/23/312633723.db2.gz GMPCPACPAHUJJK-OAHLLOKOSA-N 1 0 346.362 2.548 20 5 EFBDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447510602 312678253 /nfs/dbraw/zinc/67/82/53/312678253.db2.gz IWVGWLINBXISKI-HZPDHXFCSA-N 1 0 346.435 2.768 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000449334883 312684280 /nfs/dbraw/zinc/68/42/80/312684280.db2.gz KAOMMWPOCWIFLR-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000449334884 312684535 /nfs/dbraw/zinc/68/45/35/312684535.db2.gz KAOMMWPOCWIFLR-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO CS[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450409084 312692690 /nfs/dbraw/zinc/69/26/90/312692690.db2.gz XANVNZWDGGKEEO-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450872386 312763314 /nfs/dbraw/zinc/76/33/14/312763314.db2.gz BVACUFZXSWMRMQ-PBHICJAKSA-N 1 0 344.415 2.593 20 5 EFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000453194620 312878318 /nfs/dbraw/zinc/87/83/18/312878318.db2.gz OEKPIHJRZBKEQC-INIZCTEOSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453415940 312900807 /nfs/dbraw/zinc/90/08/07/312900807.db2.gz BMTNUZUVTBUOCP-YPMHNXCESA-N 1 0 328.372 2.976 20 5 EFBDRO CNc1nc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000456003766 313009363 /nfs/dbraw/zinc/00/93/63/313009363.db2.gz PAQRPVMCBCMYRZ-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EFBDRO CNc1nc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458259508 313096788 /nfs/dbraw/zinc/09/67/88/313096788.db2.gz GKPMAXIUKQGMOG-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459464596 313108581 /nfs/dbraw/zinc/10/85/81/313108581.db2.gz NQJULGQBUOCCLY-UHFFFAOYSA-N 1 0 328.372 2.642 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000470169857 313129119 /nfs/dbraw/zinc/12/91/19/313129119.db2.gz LAMXVWRFJAZKDO-QIPHDZALSA-N 1 0 345.443 2.652 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000470211302 313130571 /nfs/dbraw/zinc/13/05/71/313130571.db2.gz HJEPYSBFBLLSOU-DDITZMBXSA-N 1 0 347.459 2.775 20 5 EFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000476201508 313229825 /nfs/dbraw/zinc/22/98/25/313229825.db2.gz VRERUKATTJEMIV-AWEZNQCLSA-N 1 0 347.415 2.598 20 5 EFBDRO Cc1c(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000480055436 313278565 /nfs/dbraw/zinc/27/85/65/313278565.db2.gz CJGJPLQJFNFYSC-UHFFFAOYSA-N 1 0 348.447 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000486966760 313353031 /nfs/dbraw/zinc/35/30/31/313353031.db2.gz KKYGDLXGAWDOQC-HNNXBMFYSA-N 1 0 343.387 2.709 20 5 EFBDRO CCOc1cc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000486976946 313354438 /nfs/dbraw/zinc/35/44/38/313354438.db2.gz ZUMDFYCVNNRCKW-OAHLLOKOSA-N 1 0 325.434 2.843 20 5 EFBDRO CC(C)[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487094973 313365664 /nfs/dbraw/zinc/36/56/64/313365664.db2.gz CCWDURQFVJLKPJ-GFCCVEGCSA-N 1 0 343.225 2.529 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000487190902 313374587 /nfs/dbraw/zinc/37/45/87/313374587.db2.gz RLQZKOLGLGLVSV-MRXNPFEDSA-N 1 0 335.448 2.919 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C[NH+](C)C ZINC000489012380 313535328 /nfs/dbraw/zinc/53/53/28/313535328.db2.gz MTFDWEWWMFDOBP-LBPRGKRZSA-N 1 0 332.379 2.827 20 5 EFBDRO C[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000492486422 314008510 /nfs/dbraw/zinc/00/85/10/314008510.db2.gz GDFXSUKFEFAIKD-FVOPLDGLSA-N 1 0 333.363 2.514 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492511589 314019524 /nfs/dbraw/zinc/01/95/24/314019524.db2.gz QQGZVUBKOOXHFI-BMQCOBNYSA-N 1 0 333.388 2.819 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000492841182 314147825 /nfs/dbraw/zinc/14/78/25/314147825.db2.gz QJWJDPQCIYRHRD-CDNLZTBQSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000492852750 314151289 /nfs/dbraw/zinc/15/12/89/314151289.db2.gz MGWGJEUTBFTUFX-FPLPWBNLSA-N 1 0 345.424 2.966 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492854960 314152445 /nfs/dbraw/zinc/15/24/45/314152445.db2.gz RXZHOINKRIYKOW-NTMALXAHSA-N 1 0 337.395 2.985 20 5 EFBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000492894314 314167531 /nfs/dbraw/zinc/16/75/31/314167531.db2.gz NJEMBOQWLJYZTQ-UIQWCUJWSA-N 1 0 347.390 2.831 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492933789 314183386 /nfs/dbraw/zinc/18/33/86/314183386.db2.gz UVPZLJMMQJBPKY-JCVMBZQJSA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000492964005 314193514 /nfs/dbraw/zinc/19/35/14/314193514.db2.gz UZYVKOLVECRHQU-UONOGXRCSA-N 1 0 334.420 2.700 20 5 EFBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000492985830 314201594 /nfs/dbraw/zinc/20/15/94/314201594.db2.gz BLYILSSKHMVTEQ-KHPPLWFESA-N 1 0 331.416 2.941 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493083182 314234492 /nfs/dbraw/zinc/23/44/92/314234492.db2.gz MBMGSDAPIFSNFJ-UZYOAWRESA-N 1 0 329.400 2.599 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493101543 314241877 /nfs/dbraw/zinc/24/18/77/314241877.db2.gz YXBNBDVYZYUTKF-JKHMERDDSA-N 1 0 329.400 2.630 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000493122658 314248977 /nfs/dbraw/zinc/24/89/77/314248977.db2.gz UABNLMZQZHNEAR-GXMNPTEKSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000493125839 314250225 /nfs/dbraw/zinc/25/02/25/314250225.db2.gz GYYGFHLVIDJNCA-HJWRWDBZSA-N 1 0 343.427 2.942 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493140919 314255510 /nfs/dbraw/zinc/25/55/10/314255510.db2.gz NYRZPOLQAZCQGG-MTIYJEKLSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000493173017 314266207 /nfs/dbraw/zinc/26/62/07/314266207.db2.gz SULXIIALQIIQPC-MQDFFIGUSA-N 1 0 347.390 2.738 20 5 EFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493494809 314377797 /nfs/dbraw/zinc/37/77/97/314377797.db2.gz AMELSZZUVBANTH-FUHWJXTLSA-N 1 0 345.399 2.933 20 5 EFBDRO C[N@H+](CCCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493550251 314397150 /nfs/dbraw/zinc/39/71/50/314397150.db2.gz HQNDBCHJPLGLCR-WEVVVXLNSA-N 1 0 335.379 2.738 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493683468 314444097 /nfs/dbraw/zinc/44/40/97/314444097.db2.gz CELRCFFEMUMCSU-MASHWEEQSA-N 1 0 347.390 2.738 20 5 EFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250569 314565123 /nfs/dbraw/zinc/56/51/23/314565123.db2.gz JQUJOEWATWXGBU-BJOHPYRUSA-N 1 0 346.330 2.862 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000494673299 314622235 /nfs/dbraw/zinc/62/22/35/314622235.db2.gz KTSXPDIWQHZDAX-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000495545037 314751487 /nfs/dbraw/zinc/75/14/87/314751487.db2.gz XMUDEXLTTBHNGK-HIFRSBDPSA-N 1 0 335.404 2.594 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000495553358 314753870 /nfs/dbraw/zinc/75/38/70/314753870.db2.gz AHPJXMMDWJODHQ-DZGCQCFKSA-N 1 0 335.404 2.860 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000495669009 314790327 /nfs/dbraw/zinc/79/03/27/314790327.db2.gz KFEULRPBRNQIBF-LBPRGKRZSA-N 1 0 335.404 2.940 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495866059 314857178 /nfs/dbraw/zinc/85/71/78/314857178.db2.gz MPVLYRXPTOXOGV-RDTXWAMCSA-N 1 0 347.415 2.941 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000495986922 314903777 /nfs/dbraw/zinc/90/37/77/314903777.db2.gz HISVQTYDFQPQMT-GQCTYLIASA-N 1 0 333.388 2.676 20 5 EFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000496970953 315262053 /nfs/dbraw/zinc/26/20/53/315262053.db2.gz ZEWHEDMSUMWJRT-UHFFFAOYSA-N 1 0 348.403 2.836 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000500229147 315418121 /nfs/dbraw/zinc/41/81/21/315418121.db2.gz NFEDVRRTHNVOGB-IVZVJUQRSA-N 1 0 330.359 2.940 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507438361 315485109 /nfs/dbraw/zinc/48/51/09/315485109.db2.gz CXIBVXIAVVQCBG-HZSPNIEDSA-N 1 0 335.404 2.717 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000514602341 315543910 /nfs/dbraw/zinc/54/39/10/315543910.db2.gz LCSGEFNACYUERF-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000514789096 315562969 /nfs/dbraw/zinc/56/29/69/315562969.db2.gz VQKIGDCIBAUZCM-MGPQQGTHSA-N 1 0 340.445 2.598 20 5 EFBDRO Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000515383599 315614261 /nfs/dbraw/zinc/61/42/61/315614261.db2.gz ODKDGHKMJUKZPN-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000515637599 315631249 /nfs/dbraw/zinc/63/12/49/315631249.db2.gz ATZKJENGDABMEG-KLHDSHLOSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000515639270 315631480 /nfs/dbraw/zinc/63/14/80/315631480.db2.gz CDQOVXZBHXLQQI-MSOLQXFVSA-N 1 0 347.415 2.718 20 5 EFBDRO CC(C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000520270486 315943727 /nfs/dbraw/zinc/94/37/27/315943727.db2.gz QMENYLIXEJMDJH-QGZVFWFLSA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cn3ccsc3n2)n1 ZINC000520720195 315974752 /nfs/dbraw/zinc/97/47/52/315974752.db2.gz YJQYGJXPMZSZPL-CHWSQXEVSA-N 1 0 346.416 2.774 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cn3ccsc3n2)n1 ZINC000520720198 315974867 /nfs/dbraw/zinc/97/48/67/315974867.db2.gz YJQYGJXPMZSZPL-STQMWFEESA-N 1 0 346.416 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3C[NH+]3CCCC3)nc2c1 ZINC000520957128 315989460 /nfs/dbraw/zinc/98/94/60/315989460.db2.gz QUAQEWZFDGIWAV-AWEZNQCLSA-N 1 0 329.404 2.531 20 5 EFBDRO CCc1cccc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000521426950 316022217 /nfs/dbraw/zinc/02/22/17/316022217.db2.gz VQPRTZOZLKCPFX-GOSISDBHSA-N 1 0 344.411 2.729 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525292099 316206643 /nfs/dbraw/zinc/20/66/43/316206643.db2.gz IBEGCEQFURBUAM-QWHCGFSZSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000525748453 316232660 /nfs/dbraw/zinc/23/26/60/316232660.db2.gz BBHHFRIYTWTHED-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000525959165 316263983 /nfs/dbraw/zinc/26/39/83/316263983.db2.gz SRQIPLZVXBMYJW-GUYCJALGSA-N 1 0 344.415 2.663 20 5 EFBDRO C[N@H+](CCC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000526934926 316307099 /nfs/dbraw/zinc/30/70/99/316307099.db2.gz VAWLLHNCULVPMA-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000530625893 317157039 /nfs/dbraw/zinc/15/70/39/317157039.db2.gz NNTFJAMQFCTMRO-UHFFFAOYSA-N 1 0 344.415 2.842 20 5 EFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531729070 317305062 /nfs/dbraw/zinc/30/50/62/317305062.db2.gz SIEIGRSMAUMYOV-MELADBBJSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000531736848 317306493 /nfs/dbraw/zinc/30/64/93/317306493.db2.gz GAMSORNTOKBGJL-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000531994184 317340267 /nfs/dbraw/zinc/34/02/67/317340267.db2.gz XGBOJPIVNHSQSA-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO CC(C)OC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533017298 317463591 /nfs/dbraw/zinc/46/35/91/317463591.db2.gz SNUHHJCHIRHGSZ-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000537291350 317666656 /nfs/dbraw/zinc/66/66/56/317666656.db2.gz OIEGPOOYFQTVPP-AWEZNQCLSA-N 1 0 337.376 2.676 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000540577919 317747109 /nfs/dbraw/zinc/74/71/09/317747109.db2.gz WNFXLISCTOBIMB-RHSMWYFYSA-N 1 0 336.388 2.815 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000540607180 317748139 /nfs/dbraw/zinc/74/81/39/317748139.db2.gz BMCRYXTUGBLDEO-HJSHSUPBSA-N 1 0 349.431 2.961 20 5 EFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000543708512 317859629 /nfs/dbraw/zinc/85/96/29/317859629.db2.gz XJBDMSVFEABTPA-OAHLLOKOSA-N 1 0 336.388 2.685 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000549552627 318176946 /nfs/dbraw/zinc/17/69/46/318176946.db2.gz HLUNGUYEBRWSQM-MRXNPFEDSA-N 1 0 341.411 2.967 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000554390245 318310797 /nfs/dbraw/zinc/31/07/97/318310797.db2.gz ZUCSMDPJIJDTEE-QLFBSQMISA-N 1 0 349.431 2.700 20 5 EFBDRO COc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000554527522 318320933 /nfs/dbraw/zinc/32/09/33/318320933.db2.gz AWSBOYSNJKXLPF-UHFFFAOYSA-N 1 0 343.383 2.764 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000555321483 318353096 /nfs/dbraw/zinc/35/30/96/318353096.db2.gz CAAMDXMQTPBQFE-DYVFJYSZSA-N 1 0 331.416 2.831 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000555321485 318353178 /nfs/dbraw/zinc/35/31/78/318353178.db2.gz CAAMDXMQTPBQFE-SUMWQHHRSA-N 1 0 331.416 2.831 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000555516076 318358992 /nfs/dbraw/zinc/35/89/92/318358992.db2.gz NBCIYMVASVUTNN-CQSZACIVSA-N 1 0 336.775 2.778 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000556176923 318381827 /nfs/dbraw/zinc/38/18/27/318381827.db2.gz LTWZYWAZVTTYIH-LBPRGKRZSA-N 1 0 345.321 2.732 20 5 EFBDRO CC(C)(C)c1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000556595512 318394437 /nfs/dbraw/zinc/39/44/37/318394437.db2.gz VUVDVPAUOBUPCT-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560392885 318546297 /nfs/dbraw/zinc/54/62/97/318546297.db2.gz CKYDJRRXHNIMPJ-CRAIPNDOSA-N 1 0 344.411 2.945 20 5 EFBDRO CCc1nncn1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000562413090 318645498 /nfs/dbraw/zinc/64/54/98/318645498.db2.gz XGNKNUDOSIMSIA-OAHLLOKOSA-N 1 0 329.404 2.761 20 5 EFBDRO C=Cc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563012466 318727829 /nfs/dbraw/zinc/72/78/29/318727829.db2.gz UHKHJPKPTJOBTR-GOSISDBHSA-N 1 0 342.395 2.810 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000563618650 318804130 /nfs/dbraw/zinc/80/41/30/318804130.db2.gz ZNWSMCRQDYHGLL-NSHDSACASA-N 1 0 327.331 2.948 20 5 EFBDRO C[NH2+]CCSCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000564208424 318847928 /nfs/dbraw/zinc/84/79/28/318847928.db2.gz GWKGNFQFNJVJDD-UHFFFAOYSA-N 1 0 336.360 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000564558100 318869839 /nfs/dbraw/zinc/86/98/39/318869839.db2.gz ZTZXOZXBTVQGHD-HNNXBMFYSA-N 1 0 327.384 2.906 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000565313026 318958031 /nfs/dbraw/zinc/95/80/31/318958031.db2.gz NQJUKFIDNJQKCT-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO CC[C@@H](C)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565593774 318985492 /nfs/dbraw/zinc/98/54/92/318985492.db2.gz DOUMOHHLUCDTNJ-OLZOCXBDSA-N 1 0 328.434 2.783 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000565790733 319003325 /nfs/dbraw/zinc/00/33/25/319003325.db2.gz OITWDAUNMYOVPI-UHFFFAOYSA-N 1 0 348.428 2.645 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cnnc1C1CC1)CCC2 ZINC000565885651 319011426 /nfs/dbraw/zinc/01/14/26/319011426.db2.gz IYDLVNRWOYDAHQ-MRXNPFEDSA-N 1 0 327.388 2.731 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566007122 319022947 /nfs/dbraw/zinc/02/29/47/319022947.db2.gz GQKGFKIIXMTVPW-HUUCEWRRSA-N 1 0 347.415 2.733 20 5 EFBDRO CCOC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000566851470 319116374 /nfs/dbraw/zinc/11/63/74/319116374.db2.gz XRJSMQVWLLZOBK-UHFFFAOYSA-N 1 0 335.404 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(CSCC3CC[NH2+]CC3)n2)cc1 ZINC000567164471 319144202 /nfs/dbraw/zinc/14/42/02/319144202.db2.gz IUOSAXNANDQWSU-UHFFFAOYSA-N 1 0 334.401 2.878 20 5 EFBDRO CNc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000567375553 319165586 /nfs/dbraw/zinc/16/55/86/319165586.db2.gz PRURJXYKLLNVAL-HNNXBMFYSA-N 1 0 342.399 2.847 20 5 EFBDRO Cc1c(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000567376222 319166010 /nfs/dbraw/zinc/16/60/10/319166010.db2.gz HYQQXAYBXNWHGV-SFHVURJKSA-N 1 0 325.368 2.773 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000567464493 319174077 /nfs/dbraw/zinc/17/40/77/319174077.db2.gz VRIJEAXNUJEHMH-CZUORRHYSA-N 1 0 332.356 2.595 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000567965319 319231122 /nfs/dbraw/zinc/23/11/22/319231122.db2.gz BCYUBPCPPMRTJG-UHFFFAOYSA-N 1 0 332.404 2.840 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000568632854 319303364 /nfs/dbraw/zinc/30/33/64/319303364.db2.gz KHGJMTPSFJHRSJ-AWEZNQCLSA-N 1 0 343.383 2.997 20 5 EFBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662582 319306904 /nfs/dbraw/zinc/30/69/04/319306904.db2.gz DGHFCSLJURFVMT-JKIFEVAISA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000569555799 319391262 /nfs/dbraw/zinc/39/12/62/319391262.db2.gz PFVGSWORGNZOLX-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000570618226 319494645 /nfs/dbraw/zinc/49/46/45/319494645.db2.gz KWPXPMARXLVCEF-MRXNPFEDSA-N 1 0 346.431 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000571198266 319550774 /nfs/dbraw/zinc/55/07/74/319550774.db2.gz IKGHZPSUAFJHPF-WCQYABFASA-N 1 0 330.331 2.502 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000572047438 319631742 /nfs/dbraw/zinc/63/17/42/319631742.db2.gz HFCUHSPADPLKOU-MRXNPFEDSA-N 1 0 334.416 2.991 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000572104011 319637051 /nfs/dbraw/zinc/63/70/51/319637051.db2.gz JXYXOWDFAUOCLF-IKGGRYGDSA-N 1 0 349.479 2.985 20 5 EFBDRO Cc1cc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000572953612 319719852 /nfs/dbraw/zinc/71/98/52/319719852.db2.gz MXJGFPVNVZEUDH-UHFFFAOYSA-N 1 0 328.372 2.725 20 5 EFBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573040295 319727634 /nfs/dbraw/zinc/72/76/34/319727634.db2.gz ZKAOCJQYZXSSOX-HIFRSBDPSA-N 1 0 348.374 2.694 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574426692 319861900 /nfs/dbraw/zinc/86/19/00/319861900.db2.gz HXNRZEDASFEZQM-INIZCTEOSA-N 1 0 348.447 2.872 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574951118 319910303 /nfs/dbraw/zinc/91/03/03/319910303.db2.gz YVXCVSZNKMJVRA-HUUCEWRRSA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000575450159 319945892 /nfs/dbraw/zinc/94/58/92/319945892.db2.gz STTRBHDZDZATLN-CXAGYDPISA-N 1 0 348.374 2.867 20 5 EFBDRO CC(C)Oc1nc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000576597593 320031527 /nfs/dbraw/zinc/03/15/27/320031527.db2.gz WVOKAPXMRKHOOW-CYBMUJFWSA-N 1 0 334.376 2.507 20 5 EFBDRO CN1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000577188277 320086286 /nfs/dbraw/zinc/08/62/86/320086286.db2.gz BYPVRALGPAAKFC-LBPRGKRZSA-N 1 0 345.321 2.666 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000577373310 320104578 /nfs/dbraw/zinc/10/45/78/320104578.db2.gz PNFRHOMEUDPJAI-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000577387824 320106490 /nfs/dbraw/zinc/10/64/90/320106490.db2.gz SYCZIECJFQWCCS-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000577485274 320115183 /nfs/dbraw/zinc/11/51/83/320115183.db2.gz QROGACXBHRFEHH-QGZVFWFLSA-N 1 0 330.384 2.557 20 5 EFBDRO C[C@@H](CCc1cccn1C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577860169 320152071 /nfs/dbraw/zinc/15/20/71/320152071.db2.gz RBFMGUGKJZTIAK-AWEZNQCLSA-N 1 0 344.415 2.873 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(CO)c2)n1 ZINC000577969809 320161025 /nfs/dbraw/zinc/16/10/25/320161025.db2.gz KAIOSKLUJBZUBA-HOTGVXAUSA-N 1 0 330.388 2.557 20 5 EFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000578036731 320167466 /nfs/dbraw/zinc/16/74/66/320167466.db2.gz CNOOKNTVQHSMFI-LLVKDONJSA-N 1 0 347.346 2.880 20 5 EFBDRO Cc1c(C[NH2+]Cc2cnc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000578107819 320172766 /nfs/dbraw/zinc/17/27/66/320172766.db2.gz QYYZJHLPSGZYPC-UHFFFAOYSA-N 1 0 327.388 2.583 20 5 EFBDRO CS[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000578187661 320181518 /nfs/dbraw/zinc/18/15/18/320181518.db2.gz OTZFOEUPAXVGPY-IUODEOHRSA-N 1 0 342.461 2.702 20 5 EFBDRO CS[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000578187662 320181646 /nfs/dbraw/zinc/18/16/46/320181646.db2.gz OTZFOEUPAXVGPY-SWLSCSKDSA-N 1 0 342.461 2.702 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578234609 320187559 /nfs/dbraw/zinc/18/75/59/320187559.db2.gz IKANPUJNWKTGPL-YOEHRIQHSA-N 1 0 347.415 2.814 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000578241928 320188466 /nfs/dbraw/zinc/18/84/66/320188466.db2.gz AQQSIFKOWGCETP-STQMWFEESA-N 1 0 347.415 2.655 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578247255 320188782 /nfs/dbraw/zinc/18/87/82/320188782.db2.gz PNAPVVIIEQSYJA-CJNGLKHVSA-N 1 0 341.415 2.574 20 5 EFBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578277247 320190485 /nfs/dbraw/zinc/19/04/85/320190485.db2.gz UZXJADDTSLBIRK-DOTOQJQBSA-N 1 0 344.411 2.864 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000578549687 320216929 /nfs/dbraw/zinc/21/69/29/320216929.db2.gz WXPNDWWCQIEYQI-AWEZNQCLSA-N 1 0 334.420 2.842 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578623296 320223422 /nfs/dbraw/zinc/22/34/22/320223422.db2.gz WHRYYVIKGIBMHD-OAHLLOKOSA-N 1 0 340.383 2.808 20 5 EFBDRO CC[NH+](CC)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181674930 323244969 /nfs/dbraw/zinc/24/49/69/323244969.db2.gz SNVOVEJZHSFYKR-UHFFFAOYSA-N 1 0 345.852 2.798 20 5 EFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000181974034 323257630 /nfs/dbraw/zinc/25/76/30/323257630.db2.gz DARFOOVXTSCBGT-QGZVFWFLSA-N 1 0 346.387 2.549 20 5 EFBDRO CCC[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181997880 323258668 /nfs/dbraw/zinc/25/86/68/323258668.db2.gz RFKBWZVMIXYQQB-AWEZNQCLSA-N 1 0 340.445 2.881 20 5 EFBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182326212 323277094 /nfs/dbraw/zinc/27/70/94/323277094.db2.gz JAWUZHSHERDTBI-UONOGXRCSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1 ZINC000182370173 323279504 /nfs/dbraw/zinc/27/95/04/323279504.db2.gz XJSDYTTYJANNSN-ZIAGYGMSSA-N 1 0 332.360 2.692 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182378649 323280127 /nfs/dbraw/zinc/28/01/27/323280127.db2.gz QMRIUELFKQXLEJ-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182388983 323280254 /nfs/dbraw/zinc/28/02/54/323280254.db2.gz XFZBJPNIIGWTDD-GOEBONIOSA-N 1 0 349.387 2.680 20 5 EFBDRO C[S@](=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183069209 323314644 /nfs/dbraw/zinc/31/46/44/323314644.db2.gz MQPSDGHIDVHZCQ-OSPHWJPCSA-N 1 0 348.424 2.683 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183713213 323346356 /nfs/dbraw/zinc/34/63/56/323346356.db2.gz GMOKKTXWZUZTGM-INIZCTEOSA-N 1 0 349.431 2.763 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000184926358 323378257 /nfs/dbraw/zinc/37/82/57/323378257.db2.gz AUUKQKIJDCEYJX-OCCSQVGLSA-N 1 0 339.411 2.930 20 5 EFBDRO CC(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192628419 323478548 /nfs/dbraw/zinc/47/85/48/323478548.db2.gz SMDBEZZXUYXNSN-RBUKOAKNSA-N 1 0 347.459 2.919 20 5 EFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296804399 323629793 /nfs/dbraw/zinc/62/97/93/323629793.db2.gz RBRORXWDBXFODK-LLVKDONJSA-N 1 0 326.372 2.894 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296803928 323630209 /nfs/dbraw/zinc/63/02/09/323630209.db2.gz QXYPWOQEPGCTCM-UHFFFAOYSA-N 1 0 326.372 2.848 20 5 EFBDRO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296877099 323662970 /nfs/dbraw/zinc/66/29/70/323662970.db2.gz QDFDKYHPRDYENZ-ZDUSSCGKSA-N 1 0 334.420 2.639 20 5 EFBDRO COc1ccc(OCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578972485 323851973 /nfs/dbraw/zinc/85/19/73/323851973.db2.gz WDSJXIGSKDHKFX-HOTGVXAUSA-N 1 0 349.431 2.589 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000580222078 324123675 /nfs/dbraw/zinc/12/36/75/324123675.db2.gz BEZDPXZRPKHFPT-RRFJBIMHSA-N 1 0 334.416 2.845 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000580511547 324174836 /nfs/dbraw/zinc/17/48/36/324174836.db2.gz GJAAKTLOTCIQDX-OAHLLOKOSA-N 1 0 340.383 2.808 20 5 EFBDRO CC(C)Oc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000580582868 324193668 /nfs/dbraw/zinc/19/36/68/324193668.db2.gz WDXYWZICJQLJRD-CQSZACIVSA-N 1 0 336.436 2.731 20 5 EFBDRO CC(C)Oc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000580582854 324193962 /nfs/dbraw/zinc/19/39/62/324193962.db2.gz WDXYWZICJQLJRD-AWEZNQCLSA-N 1 0 336.436 2.731 20 5 EFBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000581380048 324365429 /nfs/dbraw/zinc/36/54/29/324365429.db2.gz GFPHXMZCRBCZKE-WVRJYTFGSA-N 1 0 343.427 2.845 20 5 EFBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000581380046 324365873 /nfs/dbraw/zinc/36/58/73/324365873.db2.gz GFPHXMZCRBCZKE-QQOXCAACSA-N 1 0 343.427 2.845 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000581947863 324487001 /nfs/dbraw/zinc/48/70/01/324487001.db2.gz OYWNYMHZLYQTAL-LBPRGKRZSA-N 1 0 337.811 2.739 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC000583866285 324886415 /nfs/dbraw/zinc/88/64/15/324886415.db2.gz OVXARTKETWGXIE-LBPRGKRZSA-N 1 0 343.383 2.945 20 5 EFBDRO Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000531304943 448059482 /nfs/dbraw/zinc/05/94/82/448059482.db2.gz WWQMOUJNCOUKGS-UHFFFAOYSA-N 1 0 341.415 2.532 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000491868914 468365750 /nfs/dbraw/zinc/36/57/50/468365750.db2.gz MDXSNIFNTDSZTQ-WAYWQWQTSA-N 1 0 335.323 2.827 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000128903314 472509921 /nfs/dbraw/zinc/50/99/21/472509921.db2.gz ULHQPZJGZCFMRN-QGZVFWFLSA-N 1 0 343.383 2.700 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095407765 473199233 /nfs/dbraw/zinc/19/92/33/473199233.db2.gz STSBHYDPFIGNBK-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124093606 473211452 /nfs/dbraw/zinc/21/14/52/473211452.db2.gz DSULFNRDMXAXAY-QGZVFWFLSA-N 1 0 333.432 2.908 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081523682 473214587 /nfs/dbraw/zinc/21/45/87/473214587.db2.gz HOGDMHUEIBOUOD-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081571316 473224133 /nfs/dbraw/zinc/22/41/33/473224133.db2.gz BOOBVJCQCORZQI-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000124263252 473224466 /nfs/dbraw/zinc/22/44/66/473224466.db2.gz VDTZTLVXQBYMCT-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161408582 473233932 /nfs/dbraw/zinc/23/39/32/473233932.db2.gz XQFBOLWJEGEZGB-CQSZACIVSA-N 1 0 327.388 2.512 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000124330257 473234105 /nfs/dbraw/zinc/23/41/05/473234105.db2.gz AMYXVFAAWRQXCE-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000139384783 473231409 /nfs/dbraw/zinc/23/14/09/473231409.db2.gz CGXGMGYCWDOAKR-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000095966488 473232372 /nfs/dbraw/zinc/23/23/72/473232372.db2.gz RZSBKEHKBPFTEY-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000124323316 473232712 /nfs/dbraw/zinc/23/27/12/473232712.db2.gz TVKBHSQIBYIYLX-HNNXBMFYSA-N 1 0 348.447 2.762 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081632091 473235983 /nfs/dbraw/zinc/23/59/83/473235983.db2.gz IDDXKIXTWBLEKR-MRXNPFEDSA-N 1 0 333.432 2.637 20 5 EFBDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000095972794 473236026 /nfs/dbraw/zinc/23/60/26/473236026.db2.gz PQNGQYNHTVNWTK-GOSISDBHSA-N 1 0 328.368 2.695 20 5 EFBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000161486001 473239294 /nfs/dbraw/zinc/23/92/94/473239294.db2.gz ATPTULLOCWXXTP-UHFFFAOYSA-N 1 0 335.404 2.961 20 5 EFBDRO CCOC(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC000124482030 473251315 /nfs/dbraw/zinc/25/13/15/473251315.db2.gz QRBIPXVHIIJBQF-UHFFFAOYSA-N 1 0 338.404 2.837 20 5 EFBDRO Cc1cc(NC[C@@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008522 473254178 /nfs/dbraw/zinc/25/41/78/473254178.db2.gz LFDDWKCVMDRFGM-QGZVFWFLSA-N 1 0 331.372 2.652 20 5 EFBDRO CCCC[N@H+](C)CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000112333612 473256202 /nfs/dbraw/zinc/25/62/02/473256202.db2.gz SVURCYCYRBYIOU-UHFFFAOYSA-N 1 0 336.436 2.877 20 5 EFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000124660375 473282737 /nfs/dbraw/zinc/28/27/37/473282737.db2.gz INZWMVVJPZVCIG-UHFFFAOYSA-N 1 0 333.392 2.518 20 5 EFBDRO CSc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000162043986 473298153 /nfs/dbraw/zinc/29/81/53/473298153.db2.gz MILMDNSZLFXSCE-GFCCVEGCSA-N 1 0 325.434 2.762 20 5 EFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C1 ZINC000162138110 473307594 /nfs/dbraw/zinc/30/75/94/473307594.db2.gz FXFHBSANOHNHGF-UHFFFAOYSA-N 1 0 329.360 2.542 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167790 473308127 /nfs/dbraw/zinc/30/81/27/473308127.db2.gz KCMDUTJXTQGNBZ-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083025977 473311271 /nfs/dbraw/zinc/31/12/71/473311271.db2.gz WMJZGIHLCWJKBY-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000083025982 473311422 /nfs/dbraw/zinc/31/14/22/473311422.db2.gz WMJZGIHLCWJKBY-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177157906 473319602 /nfs/dbraw/zinc/31/96/02/473319602.db2.gz LKVKSELOUUDFHN-JHJVBQTASA-N 1 0 349.456 2.817 20 5 EFBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000083040700 473316881 /nfs/dbraw/zinc/31/68/81/473316881.db2.gz UNYJSLXWKHKROB-ZIAGYGMSSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000148403797 473317557 /nfs/dbraw/zinc/31/75/57/473317557.db2.gz MCXJMPQONAQNKZ-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177159266 473319166 /nfs/dbraw/zinc/31/91/66/473319166.db2.gz AYZYIXVBBIJQOT-WDEREUQCSA-N 1 0 335.429 2.672 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177206263 473332198 /nfs/dbraw/zinc/33/21/98/473332198.db2.gz QQBPUMHFFXVEBA-DZGCQCFKSA-N 1 0 346.431 2.528 20 5 EFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112987623 473340612 /nfs/dbraw/zinc/34/06/12/473340612.db2.gz PIXLSEHSWDQNSK-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000125031896 473344732 /nfs/dbraw/zinc/34/47/32/473344732.db2.gz DIGHBXPMTHQKGR-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000190648337 473345230 /nfs/dbraw/zinc/34/52/30/473345230.db2.gz PRTCEZPXXNNRAT-AWEZNQCLSA-N 1 0 349.431 2.762 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150743801 473345534 /nfs/dbraw/zinc/34/55/34/473345534.db2.gz NISREIZZUFZDBI-INIZCTEOSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000150747132 473345951 /nfs/dbraw/zinc/34/59/51/473345951.db2.gz FYXVKSREXKKNEP-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+]1CCCN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616057138 469359258 /nfs/dbraw/zinc/35/92/58/469359258.db2.gz QAEIFQSVJVMBGB-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO COc1cc(C[N@@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000190690423 473362721 /nfs/dbraw/zinc/36/27/21/473362721.db2.gz XBQWQNGGHVHVHG-LLVKDONJSA-N 1 0 326.418 2.939 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150808751 473358606 /nfs/dbraw/zinc/35/86/06/473358606.db2.gz QABRPCQQIPPGOC-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000113198146 473364542 /nfs/dbraw/zinc/36/45/42/473364542.db2.gz AABVJWJSPDMIPF-CQSZACIVSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000177365725 473364571 /nfs/dbraw/zinc/36/45/71/473364571.db2.gz ADXOVWKOCHKGSB-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000113196211 473364942 /nfs/dbraw/zinc/36/49/42/473364942.db2.gz FVXAKUSMLUIFPO-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177405635 473371490 /nfs/dbraw/zinc/37/14/90/473371490.db2.gz QWAASSXRGITNJY-UHFFFAOYSA-N 1 0 331.416 2.661 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000609849388 469966138 /nfs/dbraw/zinc/96/61/38/469966138.db2.gz PPTRUAQWOZJJJD-AWEZNQCLSA-N 1 0 327.344 2.846 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC34CCOCC4)nc2c1 ZINC000619723142 479866544 /nfs/dbraw/zinc/86/65/44/479866544.db2.gz IHRCZJVDFLGQRK-OAHLLOKOSA-N 1 0 330.388 2.910 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000162840860 473389171 /nfs/dbraw/zinc/38/91/71/473389171.db2.gz ZRPOEEXDLVMZLB-ACJLOTCBSA-N 1 0 339.395 2.967 20 5 EFBDRO Cc1c(CC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162846231 473390013 /nfs/dbraw/zinc/39/00/13/473390013.db2.gz BTQKMWNYYXCEKA-ZNMIVQPWSA-N 1 0 347.459 2.928 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccsc1 ZINC000619783829 479883927 /nfs/dbraw/zinc/88/39/27/479883927.db2.gz ZVUTXBVUMBJXIO-JTQLQIEISA-N 1 0 335.385 2.954 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000346954009 475986294 /nfs/dbraw/zinc/98/62/94/475986294.db2.gz MZERYEFBMOZZKK-UMVBOHGHSA-N 1 0 333.432 2.999 20 5 EFBDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421383346 478065684 /nfs/dbraw/zinc/06/56/84/478065684.db2.gz CWPZJSZNCQBROJ-AWEZNQCLSA-N 1 0 329.356 2.565 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495119266 478124860 /nfs/dbraw/zinc/12/48/60/478124860.db2.gz PAJSULMOOIFSBH-QWRGUYRKSA-N 1 0 343.811 2.649 20 5 EFBDRO Cc1ccccc1C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000592138538 478791957 /nfs/dbraw/zinc/79/19/57/478791957.db2.gz ZITGVUQWJPYVIH-MRXNPFEDSA-N 1 0 342.395 2.922 20 5 EFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000592154819 478801084 /nfs/dbraw/zinc/80/10/84/478801084.db2.gz XXYNTDTYGPKTTI-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602577955 479407238 /nfs/dbraw/zinc/40/72/38/479407238.db2.gz RQIZRLVHZIRAJL-UHFFFAOYSA-N 1 0 347.337 2.866 20 5 EFBDRO C[NH+](C)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602630565 479436959 /nfs/dbraw/zinc/43/69/59/479436959.db2.gz WCYDJNRQSPJXNU-UHFFFAOYSA-N 1 0 348.266 2.993 20 5 EFBDRO CSC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602638361 479440688 /nfs/dbraw/zinc/44/06/88/479440688.db2.gz ADXKHHKCVITFBJ-UHFFFAOYSA-N 1 0 336.461 2.834 20 5 EFBDRO CC1(C)CCC[N@H+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602639088 479441621 /nfs/dbraw/zinc/44/16/21/479441621.db2.gz ZSXJTRJTKHVGCU-UHFFFAOYSA-N 1 0 332.404 2.948 20 5 EFBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000602637992 479441768 /nfs/dbraw/zinc/44/17/68/479441768.db2.gz ASNZUZCOLVJYOU-TXEJJXNPSA-N 1 0 329.322 2.607 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593882415 479495245 /nfs/dbraw/zinc/49/52/45/479495245.db2.gz GJSZJRGCWYXRAU-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC[NH+](C)C ZINC000613234271 479931342 /nfs/dbraw/zinc/93/13/42/479931342.db2.gz XFUDRRNTECANAR-MRXNPFEDSA-N 1 0 335.448 2.964 20 5 EFBDRO Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000008430866 471687921 /nfs/dbraw/zinc/68/79/21/471687921.db2.gz PUHOGHGQQMQQML-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000008430904 471688377 /nfs/dbraw/zinc/68/83/77/471688377.db2.gz ULARHIXOIMMFCR-VAWYXSNFSA-N 1 0 339.395 2.986 20 5 EFBDRO COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010018062 471726523 /nfs/dbraw/zinc/72/65/23/471726523.db2.gz MTBJLADUAPCGKR-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000010490625 471736869 /nfs/dbraw/zinc/73/68/69/471736869.db2.gz JODQPWXJERLYAK-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015140267 471891136 /nfs/dbraw/zinc/89/11/36/471891136.db2.gz UKAPREZXURQLFX-FMIVXFBMSA-N 1 0 339.395 2.986 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015140358 471891280 /nfs/dbraw/zinc/89/12/80/471891280.db2.gz WBRRVZQGQJMJSQ-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000018180505 471971648 /nfs/dbraw/zinc/97/16/48/471971648.db2.gz YEAINNJVKJQAAP-MRXNPFEDSA-N 1 0 340.383 2.991 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000067004259 471981188 /nfs/dbraw/zinc/98/11/88/471981188.db2.gz DLFWTWCOCZPXFJ-AWEZNQCLSA-N 1 0 348.428 2.758 20 5 EFBDRO CC(C)CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000053231526 471985395 /nfs/dbraw/zinc/98/53/95/471985395.db2.gz GINNQAQQVYUCBP-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000053232783 471985865 /nfs/dbraw/zinc/98/58/65/471985865.db2.gz JTJQLSQOXLWZPB-UHFFFAOYSA-N 1 0 325.434 2.849 20 5 EFBDRO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000053349560 471997476 /nfs/dbraw/zinc/99/74/76/471997476.db2.gz FTYLLKFPHPNJGZ-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000067206783 472005189 /nfs/dbraw/zinc/00/51/89/472005189.db2.gz SEVFBMOXWUMSJB-MRXNPFEDSA-N 1 0 325.368 2.728 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067265456 472011702 /nfs/dbraw/zinc/01/17/02/472011702.db2.gz IJJMDSNKVNVANY-VMPITWQZSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCC(C)CC1 ZINC000067269785 472012840 /nfs/dbraw/zinc/01/28/40/472012840.db2.gz YQJHAYKKFMDKDV-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276606 472014054 /nfs/dbraw/zinc/01/40/54/472014054.db2.gz GURBHMPYNTXUFX-MRXNPFEDSA-N 1 0 345.399 2.930 20 5 EFBDRO CNC(=O)c1ccc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000053555890 472019698 /nfs/dbraw/zinc/01/96/98/472019698.db2.gz SOAUOZHDJRTBNM-UHFFFAOYSA-N 1 0 334.420 2.676 20 5 EFBDRO CNC(=O)c1ccc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053577095 472021055 /nfs/dbraw/zinc/02/10/55/472021055.db2.gz ICJNFNXKLKLFBZ-UGSOOPFHSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000039196329 472022959 /nfs/dbraw/zinc/02/29/59/472022959.db2.gz GQESGRZTTNSMCH-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000039563731 472025625 /nfs/dbraw/zinc/02/56/25/472025625.db2.gz LBTBJPCZXGCMJX-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374435 472025965 /nfs/dbraw/zinc/02/59/65/472025965.db2.gz ZYBWQJPRFLQQDG-QGZVFWFLSA-N 1 0 325.368 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000023899326 472040369 /nfs/dbraw/zinc/04/03/69/472040369.db2.gz LTOJENZRQXCWAQ-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000041401760 472061324 /nfs/dbraw/zinc/06/13/24/472061324.db2.gz AGUOYXMCQWZGGI-KRWDZBQOSA-N 1 0 348.447 2.785 20 5 EFBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054181112 472065605 /nfs/dbraw/zinc/06/56/05/472065605.db2.gz FSOIBUQNYRRSSH-HNNXBMFYSA-N 1 0 340.383 2.841 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000067679465 472069897 /nfs/dbraw/zinc/06/98/97/472069897.db2.gz JLGRHUWJYVTJOW-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067724672 472079810 /nfs/dbraw/zinc/07/98/10/472079810.db2.gz UXTRHTXYHAOYHP-GJZGRUSLSA-N 1 0 348.447 2.762 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)NCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000067722805 472079890 /nfs/dbraw/zinc/07/98/90/472079890.db2.gz QHANNEZAFABFQX-KDOFPFPSSA-N 1 0 348.447 2.905 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC000054373835 472082528 /nfs/dbraw/zinc/08/25/28/472082528.db2.gz QGNUCHRJFWOUPE-MRXNPFEDSA-N 1 0 330.388 2.518 20 5 EFBDRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054395354 472086029 /nfs/dbraw/zinc/08/60/29/472086029.db2.gz KPGQIKKPBOPCBD-QGZVFWFLSA-N 1 0 325.368 2.658 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000054461171 472089965 /nfs/dbraw/zinc/08/99/65/472089965.db2.gz RQQTVEANFNZWGU-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025329450 472090684 /nfs/dbraw/zinc/09/06/84/472090684.db2.gz DKLFBBPSZYGXSS-HNNXBMFYSA-N 1 0 348.428 2.731 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000067839527 472096292 /nfs/dbraw/zinc/09/62/92/472096292.db2.gz BJGNLZNPRYEZNS-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025638526 472106051 /nfs/dbraw/zinc/10/60/51/472106051.db2.gz KWXHOFNQORECTQ-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000042123585 472116544 /nfs/dbraw/zinc/11/65/44/472116544.db2.gz DQYDBPBKIXMRJF-LBPRGKRZSA-N 1 0 329.400 2.747 20 5 EFBDRO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000026449898 472137101 /nfs/dbraw/zinc/13/71/01/472137101.db2.gz ZSNJIEKPFDMBTI-UHFFFAOYSA-N 1 0 343.811 2.791 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000042495229 472140389 /nfs/dbraw/zinc/14/03/89/472140389.db2.gz LFRBPSPSTSJBIP-HNNXBMFYSA-N 1 0 345.399 2.871 20 5 EFBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCc2ccccc2C1 ZINC000026727835 472146043 /nfs/dbraw/zinc/14/60/43/472146043.db2.gz KLEYBEJRESQDQM-INIZCTEOSA-N 1 0 343.431 2.823 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC000075675729 472180221 /nfs/dbraw/zinc/18/02/21/472180221.db2.gz CFRAKUIMXBYDOV-NVXWUHKLSA-N 1 0 336.436 2.587 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027580622 472184744 /nfs/dbraw/zinc/18/47/44/472184744.db2.gz QAORTKNIFGVBHM-KRWDZBQOSA-N 1 0 341.411 2.806 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000068414866 472185444 /nfs/dbraw/zinc/18/54/44/472185444.db2.gz DETRSYDMIPORBN-CQSZACIVSA-N 1 0 348.428 2.731 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055446294 472186521 /nfs/dbraw/zinc/18/65/21/472186521.db2.gz RFVHPXOCXKAAMH-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043008651 472190581 /nfs/dbraw/zinc/19/05/81/472190581.db2.gz DVCDSEOYGSSADQ-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000068449744 472194203 /nfs/dbraw/zinc/19/42/03/472194203.db2.gz NWFWTRMUZRRSFK-BQYQJAHWSA-N 1 0 331.416 2.989 20 5 EFBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075767213 472194752 /nfs/dbraw/zinc/19/47/52/472194752.db2.gz YILLCPAKJSJRLD-ROUUACIJSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000075772808 472197029 /nfs/dbraw/zinc/19/70/29/472197029.db2.gz ROVQBXDUMIUXNR-UHFFFAOYSA-N 1 0 337.383 2.833 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000043085573 472197500 /nfs/dbraw/zinc/19/75/00/472197500.db2.gz TZAGZYWOFDKVFN-CABCVRRESA-N 1 0 348.447 2.776 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836287 472204387 /nfs/dbraw/zinc/20/43/87/472204387.db2.gz QZRJNLFKPSJFDX-MRXNPFEDSA-N 1 0 333.432 2.781 20 5 EFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341763 472224571 /nfs/dbraw/zinc/22/45/71/472224571.db2.gz IWNFIPZKDPTPPS-JTQLQIEISA-N 1 0 338.795 2.854 20 5 EFBDRO Cc1c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055748360 472232547 /nfs/dbraw/zinc/23/25/47/472232547.db2.gz HGDNXQRYDKJWKL-HZSPNIEDSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085289352 472236772 /nfs/dbraw/zinc/23/67/72/472236772.db2.gz AQLCWURXHZMQLQ-CYBMUJFWSA-N 1 0 335.448 2.965 20 5 EFBDRO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085366262 472240428 /nfs/dbraw/zinc/24/04/28/472240428.db2.gz MGZHPZVNFNPGSH-CYBMUJFWSA-N 1 0 336.436 2.713 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000085545128 472255457 /nfs/dbraw/zinc/25/54/57/472255457.db2.gz POAICEAHRCUXJS-UHFFFAOYSA-N 1 0 338.408 2.655 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085634036 472261384 /nfs/dbraw/zinc/26/13/84/472261384.db2.gz PAAFBGUZZWSKPP-UHFFFAOYSA-N 1 0 332.404 2.960 20 5 EFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000029725398 472291941 /nfs/dbraw/zinc/29/19/41/472291941.db2.gz JWVLTLGBJJTWIW-JTQLQIEISA-N 1 0 347.371 2.525 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000086987114 472295585 /nfs/dbraw/zinc/29/55/85/472295585.db2.gz XIXAPVCRRMLQNI-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000086993544 472295656 /nfs/dbraw/zinc/29/56/56/472295656.db2.gz LETQEOMRWVCNNI-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087004511 472296981 /nfs/dbraw/zinc/29/69/81/472296981.db2.gz FQGOZBHOGVOMNT-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO C[N@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000087087796 472304043 /nfs/dbraw/zinc/30/40/43/472304043.db2.gz KJRFUJGGHSEQTH-UHFFFAOYSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087172397 472312813 /nfs/dbraw/zinc/31/28/13/472312813.db2.gz SSMLXPKFFPMTHR-HUUCEWRRSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044582401 472318656 /nfs/dbraw/zinc/31/86/56/472318656.db2.gz XIRADMYKPCPBCT-HUUCEWRRSA-N 1 0 333.432 2.622 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044582642 472320444 /nfs/dbraw/zinc/32/04/44/472320444.db2.gz MJRWYKYJDQTEHC-RYUDHWBXSA-N 1 0 325.434 2.754 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000087338686 472326810 /nfs/dbraw/zinc/32/68/10/472326810.db2.gz UFXXHJZFCOQFGF-QGZVFWFLSA-N 1 0 345.443 2.908 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069422340 472341384 /nfs/dbraw/zinc/34/13/84/472341384.db2.gz OKKHUJFAULWERR-UHFFFAOYSA-N 1 0 349.431 2.527 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000044868980 472345891 /nfs/dbraw/zinc/34/58/91/472345891.db2.gz COYJMMYGUIZTSC-AWEZNQCLSA-N 1 0 333.413 2.559 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056788694 472351963 /nfs/dbraw/zinc/35/19/63/472351963.db2.gz FTIKXTKHZQZMRQ-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO COc1cc(CN2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000613381679 479982470 /nfs/dbraw/zinc/98/24/70/479982470.db2.gz QJDVGERGESZTSS-CYBMUJFWSA-N 1 0 325.384 2.705 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088349633 472357897 /nfs/dbraw/zinc/35/78/97/472357897.db2.gz PRQCWCJHYFUOBB-UHFFFAOYSA-N 1 0 339.395 2.855 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031229905 472368695 /nfs/dbraw/zinc/36/86/95/472368695.db2.gz JIFFBMRCNMBEJR-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000057004604 472372622 /nfs/dbraw/zinc/37/26/22/472372622.db2.gz BIVJDWJYBWSKHX-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607763 472378294 /nfs/dbraw/zinc/37/82/94/472378294.db2.gz GBUUJYQSXWZUIH-HZPDHXFCSA-N 1 0 346.431 2.535 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389612 479984238 /nfs/dbraw/zinc/98/42/38/479984238.db2.gz OXGRVPHSWPWODO-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccsc1 ZINC000076715794 472389704 /nfs/dbraw/zinc/38/97/04/472389704.db2.gz NHZHXZRIFQEPTK-NSHDSACASA-N 1 0 336.421 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389613 479984562 /nfs/dbraw/zinc/98/45/62/479984562.db2.gz OXGRVPHSWPWODO-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154173540 472397412 /nfs/dbraw/zinc/39/74/12/472397412.db2.gz YSELPDHJIIQGCK-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076799108 472404839 /nfs/dbraw/zinc/40/48/39/472404839.db2.gz HFABRMZPYCBQAS-OKILXGFUSA-N 1 0 348.447 2.864 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045462549 472411315 /nfs/dbraw/zinc/41/13/15/472411315.db2.gz HUQXETVCRVNVOA-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089312490 472411496 /nfs/dbraw/zinc/41/14/96/472411496.db2.gz PAIIHWVLQJMBLP-INIZCTEOSA-N 1 0 345.443 2.908 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000128213232 472420025 /nfs/dbraw/zinc/42/00/25/472420025.db2.gz IRJRLBZOIGWGLL-VXGBXAGGSA-N 1 0 329.194 2.606 20 5 EFBDRO COC(=O)c1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000076912128 472422789 /nfs/dbraw/zinc/42/27/89/472422789.db2.gz VYIFUQDKNQVYJS-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000057544156 472449305 /nfs/dbraw/zinc/44/93/05/472449305.db2.gz APSGSFFRZYGLDZ-TXEJJXNPSA-N 1 0 325.434 2.754 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000089545600 472458196 /nfs/dbraw/zinc/45/81/96/472458196.db2.gz QBASIZIQMKZGCO-ZDUSSCGKSA-N 1 0 327.384 2.895 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045775087 472461597 /nfs/dbraw/zinc/46/15/97/472461597.db2.gz MMZBBGINZVSMGD-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000045775232 472462155 /nfs/dbraw/zinc/46/21/55/472462155.db2.gz FJZDANKKXTZNIF-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000032763409 472464803 /nfs/dbraw/zinc/46/48/03/472464803.db2.gz PMQAFBZUBHPPCF-LLVKDONJSA-N 1 0 335.385 2.816 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045799861 472465335 /nfs/dbraw/zinc/46/53/35/472465335.db2.gz CCDJSYYGVDILLD-UHFFFAOYSA-N 1 0 339.395 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000089602992 472467618 /nfs/dbraw/zinc/46/76/18/472467618.db2.gz KAXHFUIRJLBOGL-MRXNPFEDSA-N 1 0 342.399 2.808 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033093095 472495200 /nfs/dbraw/zinc/49/52/00/472495200.db2.gz LLYLOJBBZFIRAC-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155160419 472515143 /nfs/dbraw/zinc/51/51/43/472515143.db2.gz ZDCBOLPCVFKYKE-HZPDHXFCSA-N 1 0 331.416 2.714 20 5 EFBDRO CN(C(=O)C[NH2+]C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077377855 472516034 /nfs/dbraw/zinc/51/60/34/472516034.db2.gz VPVBWBGAJGLTOB-UHFFFAOYSA-N 1 0 325.368 2.837 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119129092 472528918 /nfs/dbraw/zinc/52/89/18/472528918.db2.gz RGFYMKNMLPBFQI-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038337 472536149 /nfs/dbraw/zinc/53/61/49/472536149.db2.gz MDXSNIFNTDSZTQ-AATRIKPKSA-N 1 0 335.323 2.827 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccnc1 ZINC000129409456 472541390 /nfs/dbraw/zinc/54/13/90/472541390.db2.gz HPKKBVFWTVOSOP-UHFFFAOYSA-N 1 0 332.335 2.590 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000046338424 472544086 /nfs/dbraw/zinc/54/40/86/472544086.db2.gz LXHUOMQVEMSJDS-GJZGRUSLSA-N 1 0 348.447 2.999 20 5 EFBDRO CC1CC[NH+](CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000129506802 472547917 /nfs/dbraw/zinc/54/79/17/472547917.db2.gz PACXCVOAYGXZMF-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000077542693 472551390 /nfs/dbraw/zinc/55/13/90/472551390.db2.gz IFLYVWLTFHYZQN-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1Cc2ccccc2C1 ZINC000155487749 472556655 /nfs/dbraw/zinc/55/66/55/472556655.db2.gz HQWMWAYYTWMSEV-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000101993607 472561154 /nfs/dbraw/zinc/56/11/54/472561154.db2.gz VIKHARKQUPZNOM-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000101993612 472561283 /nfs/dbraw/zinc/56/12/83/472561283.db2.gz VIKHARKQUPZNOM-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000119510971 472561240 /nfs/dbraw/zinc/56/12/40/472561240.db2.gz BFXAIHAKLBCPAY-FYCOFBDGSA-N 1 0 331.416 2.702 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)cc1 ZINC000155588713 472574771 /nfs/dbraw/zinc/57/47/71/472574771.db2.gz USMBOVIGROFNBD-UKRRQHHQSA-N 1 0 344.371 2.646 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C(C)(C)O1 ZINC000119720289 472577355 /nfs/dbraw/zinc/57/73/55/472577355.db2.gz WKDFMEQZANSQDJ-GJZGRUSLSA-N 1 0 347.415 2.636 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000077667398 472580130 /nfs/dbraw/zinc/58/01/30/472580130.db2.gz KICSXKISAIKOBJ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000090032734 472583420 /nfs/dbraw/zinc/58/34/20/472583420.db2.gz PIIKVGRCDKFFPD-LBPRGKRZSA-N 1 0 345.403 2.813 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCN1CCOCC1 ZINC000090046751 472586071 /nfs/dbraw/zinc/58/60/71/472586071.db2.gz IVLRQAOJSRLHKZ-HZPDHXFCSA-N 1 0 335.448 2.616 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668833 472591686 /nfs/dbraw/zinc/59/16/86/472591686.db2.gz VIKFPIXMPRQGOI-YJBOKZPZSA-N 1 0 334.464 2.662 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000130303606 472596332 /nfs/dbraw/zinc/59/63/32/472596332.db2.gz SKLGQCYUCYMVAL-GFCCVEGCSA-N 1 0 349.387 2.773 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886440 472600387 /nfs/dbraw/zinc/60/03/87/472600387.db2.gz KGPTUEWUDFXLPT-PYUISTEWSA-N 1 0 329.400 2.695 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119923499 472603039 /nfs/dbraw/zinc/60/30/39/472603039.db2.gz NFBRHLMWVVFWGN-UHFFFAOYSA-N 1 0 330.388 2.605 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000155741060 472606641 /nfs/dbraw/zinc/60/66/41/472606641.db2.gz MXHHNQBQCBIDAY-FZMZJTMJSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1F ZINC000046835966 472608121 /nfs/dbraw/zinc/60/81/21/472608121.db2.gz RAHMGYGGOKXNSK-INIZCTEOSA-N 1 0 348.374 2.743 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000058917925 472612915 /nfs/dbraw/zinc/61/29/15/472612915.db2.gz WBJHMJLPGCXVPY-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046935582 472624573 /nfs/dbraw/zinc/62/45/73/472624573.db2.gz DJIKQDURKRTGEH-UHFFFAOYSA-N 1 0 331.372 2.958 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000071954167 472625408 /nfs/dbraw/zinc/62/54/08/472625408.db2.gz UPWNDURBLCIWDP-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059389292 472625556 /nfs/dbraw/zinc/62/55/56/472625556.db2.gz YQBGKNDZKCSRPI-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000120090492 472629397 /nfs/dbraw/zinc/62/93/97/472629397.db2.gz QTYZCPXGMFTFMQ-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090529821 472630307 /nfs/dbraw/zinc/63/03/07/472630307.db2.gz FOPBYYCXQWUQRB-LLVKDONJSA-N 1 0 336.417 2.523 20 5 EFBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000060015788 472633217 /nfs/dbraw/zinc/63/32/17/472633217.db2.gz UZCXJKGHUJTBSY-KCQAQPDRSA-N 1 0 333.432 2.999 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000060064568 472634905 /nfs/dbraw/zinc/63/49/05/472634905.db2.gz IZVIWZUGBLUFIH-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000090551970 472635238 /nfs/dbraw/zinc/63/52/38/472635238.db2.gz VPXRPKLXZFNYLO-UHFFFAOYSA-N 1 0 337.445 2.508 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000090554084 472635452 /nfs/dbraw/zinc/63/54/52/472635452.db2.gz DIJFXYLVEUVEEG-GOSISDBHSA-N 1 0 327.384 2.888 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000046997102 472639637 /nfs/dbraw/zinc/63/96/37/472639637.db2.gz TZUAGHICDIOWRM-UKRRQHHQSA-N 1 0 335.429 2.673 20 5 EFBDRO CC[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090610779 472642010 /nfs/dbraw/zinc/64/20/10/472642010.db2.gz KPGWMQQSOZCRFE-IFIJOSMWSA-N 1 0 346.431 2.970 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965164 472645159 /nfs/dbraw/zinc/64/51/59/472645159.db2.gz PGOGUFOQEKZOCD-GFCCVEGCSA-N 1 0 348.403 2.595 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000090689080 472652119 /nfs/dbraw/zinc/65/21/19/472652119.db2.gz XWMKBMUGILLMED-PVAVHDDUSA-N 1 0 346.431 2.924 20 5 EFBDRO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090686642 472652403 /nfs/dbraw/zinc/65/24/03/472652403.db2.gz PDQLDXNBJRYMJQ-JQFCIGGWSA-N 1 0 346.431 2.924 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000060407263 472653105 /nfs/dbraw/zinc/65/31/05/472653105.db2.gz SDXWNMKCOZWQSO-UHFFFAOYSA-N 1 0 337.401 2.762 20 5 EFBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156024526 472655951 /nfs/dbraw/zinc/65/59/51/472655951.db2.gz BYRQEGVNRRFNNX-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047105596 472656442 /nfs/dbraw/zinc/65/64/42/472656442.db2.gz DIGTXZLXWXTYTA-ZIAGYGMSSA-N 1 0 338.795 2.997 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000047120025 472657005 /nfs/dbraw/zinc/65/70/05/472657005.db2.gz INLKALBVUGWKJU-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000156036969 472658081 /nfs/dbraw/zinc/65/80/81/472658081.db2.gz SBIOYGJSWGXHGL-STQMWFEESA-N 1 0 342.399 2.698 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000090880934 472661361 /nfs/dbraw/zinc/66/13/61/472661361.db2.gz RVQLEAMCAPDOKO-CYBMUJFWSA-N 1 0 337.420 2.806 20 5 EFBDRO COc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000047198879 472668700 /nfs/dbraw/zinc/66/87/00/472668700.db2.gz ODGWZVAKEPKUSZ-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CNc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000047198980 472668889 /nfs/dbraw/zinc/66/88/89/472668889.db2.gz UHEFZHBOIHNVNR-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131668923 472684450 /nfs/dbraw/zinc/68/44/50/472684450.db2.gz RSHYONORTJPMNI-HNNXBMFYSA-N 1 0 347.415 2.627 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000078292764 472688755 /nfs/dbraw/zinc/68/87/55/472688755.db2.gz VSADQBLNNIASSL-CYBMUJFWSA-N 1 0 335.404 2.516 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000156319722 472691182 /nfs/dbraw/zinc/69/11/82/472691182.db2.gz CNISTYWUOIAMQR-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000131772767 472691962 /nfs/dbraw/zinc/69/19/62/472691962.db2.gz YTBRPHXTLPDTJQ-OAHLLOKOSA-N 1 0 334.416 2.921 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078307391 472693312 /nfs/dbraw/zinc/69/33/12/472693312.db2.gz YLTQNBJEFJYLIH-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104859130 472700179 /nfs/dbraw/zinc/70/01/79/472700179.db2.gz ZSUDFYSSJLZXOV-ZDUSSCGKSA-N 1 0 336.436 2.726 20 5 EFBDRO CC1(C)CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120518608 472703217 /nfs/dbraw/zinc/70/32/17/472703217.db2.gz DNRPOXVQHIXCKK-OAHLLOKOSA-N 1 0 340.445 2.927 20 5 EFBDRO CCC[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000078360988 472703531 /nfs/dbraw/zinc/70/35/31/472703531.db2.gz KHJYOFMTAUGMHQ-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000091099190 472704210 /nfs/dbraw/zinc/70/42/10/472704210.db2.gz WZYDVDXIPGJDME-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CC[C@@]1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865555 480004931 /nfs/dbraw/zinc/00/49/31/480004931.db2.gz VJGKLBPTRNSZAM-OAHLLOKOSA-N 1 0 346.330 2.864 20 5 EFBDRO CNc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047416191 472707239 /nfs/dbraw/zinc/70/72/39/472707239.db2.gz IYJFKMNVCORBTJ-KBPBESRZSA-N 1 0 348.447 2.734 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725243 472708391 /nfs/dbraw/zinc/70/83/91/472708391.db2.gz FQFOLTSYNILHOE-HOCLYGCPSA-N 1 0 348.447 2.728 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000120660148 472726703 /nfs/dbraw/zinc/72/67/03/472726703.db2.gz XHNFGXWGDXDDJF-VQOXYXNASA-N 1 0 335.379 2.546 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000072898667 472737928 /nfs/dbraw/zinc/73/79/28/472737928.db2.gz MQKJNGLXTFJCON-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000072898602 472738157 /nfs/dbraw/zinc/73/81/57/472738157.db2.gz NNAAXRIJGKBFIM-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000072926539 472741324 /nfs/dbraw/zinc/74/13/24/472741324.db2.gz PPNIIEZAFCCXQP-DOTOQJQBSA-N 1 0 336.388 2.659 20 5 EFBDRO Cc1cnc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078658009 472748143 /nfs/dbraw/zinc/74/81/43/472748143.db2.gz ASTXYODSGSQLQF-HUUCEWRRSA-N 1 0 348.447 2.624 20 5 EFBDRO Cc1cnc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000078665333 472751278 /nfs/dbraw/zinc/75/12/78/472751278.db2.gz KBUOIILPXPUXMI-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO CNc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000047675687 472754922 /nfs/dbraw/zinc/75/49/22/472754922.db2.gz FBZGOIQTHUDCOM-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091457379 472768138 /nfs/dbraw/zinc/76/81/38/472768138.db2.gz MBRPPFKOLSQIAZ-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000120930546 472769333 /nfs/dbraw/zinc/76/93/33/472769333.db2.gz YMQKKFWGOIIYIO-UHFFFAOYSA-N 1 0 337.420 2.708 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1cccc(OC)c1 ZINC000073109526 472773495 /nfs/dbraw/zinc/77/34/95/472773495.db2.gz BRRVJCDWFBYJLF-HNNXBMFYSA-N 1 0 347.419 2.832 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000063490204 472781380 /nfs/dbraw/zinc/78/13/80/472781380.db2.gz GDQAAFIHGAZWJI-NSHDSACASA-N 1 0 325.796 2.708 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000063490269 472781668 /nfs/dbraw/zinc/78/16/68/472781668.db2.gz ZPRZKJRGNMBQNE-ZDUSSCGKSA-N 1 0 337.445 2.533 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000063497855 472782852 /nfs/dbraw/zinc/78/28/52/472782852.db2.gz NBWVPQUPHBQFOH-UHFFFAOYSA-N 1 0 345.399 2.629 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000063530306 472787409 /nfs/dbraw/zinc/78/74/09/472787409.db2.gz PNKLHJGZRVFIEK-ZDUSSCGKSA-N 1 0 346.431 2.629 20 5 EFBDRO Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1[N+](=O)[O-] ZINC000157279273 472803112 /nfs/dbraw/zinc/80/31/12/472803112.db2.gz SWOXMEUZQBGDMI-UHFFFAOYSA-N 1 0 330.388 2.771 20 5 EFBDRO Cn1cnnc1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091794864 472809416 /nfs/dbraw/zinc/80/94/16/472809416.db2.gz KUCYKZBQZZPNEW-GQCTYLIASA-N 1 0 327.388 2.616 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000133520621 472813119 /nfs/dbraw/zinc/81/31/19/472813119.db2.gz FMYFHCFLFHOEIJ-ZYHUDNBSSA-N 1 0 330.388 2.517 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000063836561 472818664 /nfs/dbraw/zinc/81/86/64/472818664.db2.gz NRJHLILPMDEGOV-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157444936 472821611 /nfs/dbraw/zinc/82/16/11/472821611.db2.gz YZAGBVPZJXPBSS-MRXNPFEDSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000157445486 472822002 /nfs/dbraw/zinc/82/20/02/472822002.db2.gz NYCJPICZCGYLIO-CQSZACIVSA-N 1 0 336.417 2.534 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000079292644 472843884 /nfs/dbraw/zinc/84/38/84/472843884.db2.gz UEPCJKGVDYZSTO-AWEZNQCLSA-N 1 0 334.420 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000064401581 472850922 /nfs/dbraw/zinc/85/09/22/472850922.db2.gz WXJQGKCCFUEAKH-UHFFFAOYSA-N 1 0 348.428 2.642 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000106467022 472855382 /nfs/dbraw/zinc/85/53/82/472855382.db2.gz WRFXXROFBXMQAS-UHFFFAOYSA-N 1 0 329.356 2.852 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2N1 ZINC000106473357 472855780 /nfs/dbraw/zinc/85/57/80/472855780.db2.gz CLUDRZNXJWDHNT-CYBMUJFWSA-N 1 0 344.415 2.908 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])o1 ZINC000064522147 472860849 /nfs/dbraw/zinc/86/08/49/472860849.db2.gz CWVUAHWAPRHZNV-GFCCVEGCSA-N 1 0 349.412 2.891 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000134033046 472866875 /nfs/dbraw/zinc/86/68/75/472866875.db2.gz YEKUNBIVAOBUCY-MRXNPFEDSA-N 1 0 347.459 2.930 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000073758322 472870293 /nfs/dbraw/zinc/87/02/93/472870293.db2.gz GLXDBRKXCITMAT-XPKDYRNWSA-N 1 0 332.404 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572740 472873501 /nfs/dbraw/zinc/87/35/01/472873501.db2.gz GNRIRQNRPPFFPV-HOTGVXAUSA-N 1 0 348.424 2.981 20 5 EFBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000106657726 472877850 /nfs/dbraw/zinc/87/78/50/472877850.db2.gz DELLLBGXXAMHPB-QWHCGFSZSA-N 1 0 331.372 2.902 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818193 472882476 /nfs/dbraw/zinc/88/24/76/472882476.db2.gz YNSYKQSIHTZBRP-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO COC(=O)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000134201095 472883966 /nfs/dbraw/zinc/88/39/66/472883966.db2.gz IDYMAQKQQYOXFO-UHFFFAOYSA-N 1 0 333.344 2.654 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121635375 472884309 /nfs/dbraw/zinc/88/43/09/472884309.db2.gz UPAQMKGQMBZUOQ-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO C[NH2+]CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000121663362 472887803 /nfs/dbraw/zinc/88/78/03/472887803.db2.gz WRMLOQDRSVQOQR-UHFFFAOYSA-N 1 0 342.399 2.546 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000106788027 472891106 /nfs/dbraw/zinc/89/11/06/472891106.db2.gz YRZZNWHGFBOHBE-GFCCVEGCSA-N 1 0 342.399 2.823 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134403101 472904001 /nfs/dbraw/zinc/90/40/01/472904001.db2.gz SWSQVQMTPYWLBL-OAHLLOKOSA-N 1 0 337.420 2.571 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000134416191 472905653 /nfs/dbraw/zinc/90/56/53/472905653.db2.gz PWILRSPPPVJVNV-CYBMUJFWSA-N 1 0 335.379 2.682 20 5 EFBDRO CS[C@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000134573731 472931099 /nfs/dbraw/zinc/93/10/99/472931099.db2.gz TYUOUSMRMNRIPT-HNNXBMFYSA-N 1 0 337.445 2.775 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000079914667 472940676 /nfs/dbraw/zinc/94/06/76/472940676.db2.gz QSHNAURRUMBGRI-AWEZNQCLSA-N 1 0 348.447 2.877 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074103522 472943154 /nfs/dbraw/zinc/94/31/54/472943154.db2.gz MNKUGBPLPHUQSS-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074103524 472943774 /nfs/dbraw/zinc/94/37/74/472943774.db2.gz MNKUGBPLPHUQSS-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092607668 472944958 /nfs/dbraw/zinc/94/49/58/472944958.db2.gz XKNZKZXIYWPGFS-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000065487212 472952909 /nfs/dbraw/zinc/95/29/09/472952909.db2.gz ZGBMYLFOJRIMQO-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092668137 472959504 /nfs/dbraw/zinc/95/95/04/472959504.db2.gz HHJDWUJCXFIJON-PWSUYJOCSA-N 1 0 329.347 2.973 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000080083411 472972345 /nfs/dbraw/zinc/97/23/45/472972345.db2.gz SLZQWNIPWDTGQZ-HZPDHXFCSA-N 1 0 346.431 2.756 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000080083415 472972432 /nfs/dbraw/zinc/97/24/32/472972432.db2.gz SLZQWNIPWDTGQZ-JKSUJKDBSA-N 1 0 346.431 2.756 20 5 EFBDRO CNc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050009193 472974326 /nfs/dbraw/zinc/97/43/26/472974326.db2.gz MRKACWXENONDLJ-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1Cc1ccccc1 ZINC000134864375 472977322 /nfs/dbraw/zinc/97/73/22/472977322.db2.gz ACALHTFHQDEVBL-JSGCOSHPSA-N 1 0 329.356 2.581 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000134875292 472979854 /nfs/dbraw/zinc/97/98/54/472979854.db2.gz GZBRWXXIEXDXJN-AWEZNQCLSA-N 1 0 337.807 2.949 20 5 EFBDRO C[NH+](C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080161894 472988170 /nfs/dbraw/zinc/98/81/70/472988170.db2.gz RKOIHWHEZDBGNM-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000074322086 472988225 /nfs/dbraw/zinc/98/82/25/472988225.db2.gz LOTGWLPWVLDURQ-ROJDOSBLSA-N 1 0 343.427 2.798 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000074326668 472990176 /nfs/dbraw/zinc/99/01/76/472990176.db2.gz FNDQPXLPBTVXQR-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO CCCc1n[nH]c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000074334604 472991642 /nfs/dbraw/zinc/99/16/42/472991642.db2.gz HQVYUYCGHNCOFP-UHFFFAOYSA-N 1 0 339.440 2.509 20 5 EFBDRO CNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000074371689 472997258 /nfs/dbraw/zinc/99/72/58/472997258.db2.gz HHLBQGJGHADIPU-UHFFFAOYSA-N 1 0 337.763 2.734 20 5 EFBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080230973 472998301 /nfs/dbraw/zinc/99/83/01/472998301.db2.gz BYTALFDAEMGYCB-DZGCQCFKSA-N 1 0 329.404 2.793 20 5 EFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000080248133 473002843 /nfs/dbraw/zinc/00/28/43/473002843.db2.gz TWZZLYBUFOTDJI-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000122424619 473012617 /nfs/dbraw/zinc/01/26/17/473012617.db2.gz NJGCQIQUXUBZEI-MRXNPFEDSA-N 1 0 330.384 2.951 20 5 EFBDRO CN1CCC([NH+]2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000050954561 473015173 /nfs/dbraw/zinc/01/51/73/473015173.db2.gz ZTUYRAHRGFXBBK-UHFFFAOYSA-N 1 0 336.411 2.704 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051057582 473020954 /nfs/dbraw/zinc/02/09/54/473020954.db2.gz CTXZBQZQPOBEJD-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058438 473021748 /nfs/dbraw/zinc/02/17/48/473021748.db2.gz KRQBENMOTFFGNY-INIZCTEOSA-N 1 0 333.432 2.766 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051058457 473022343 /nfs/dbraw/zinc/02/23/43/473022343.db2.gz XAKPOKYIYQQCGS-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000080406678 473025896 /nfs/dbraw/zinc/02/58/96/473025896.db2.gz VIIJHKSYJXJDEX-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065940260 473029679 /nfs/dbraw/zinc/02/96/79/473029679.db2.gz OBIMLNSIZYKRRI-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000135221831 473038419 /nfs/dbraw/zinc/03/84/19/473038419.db2.gz WGFSIAPTOKXTNU-UHFFFAOYSA-N 1 0 344.371 2.884 20 5 EFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000080482542 473038522 /nfs/dbraw/zinc/03/85/22/473038522.db2.gz IBNCQLKCQZYKOH-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000066138071 473047599 /nfs/dbraw/zinc/04/75/99/473047599.db2.gz NKRLPCPNBAGTIT-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000066137613 473047706 /nfs/dbraw/zinc/04/77/06/473047706.db2.gz PCOWFGKAPUDUOT-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCSC1 ZINC000159741253 473056550 /nfs/dbraw/zinc/05/65/50/473056550.db2.gz FUSGBDHHCBAJFM-INIZCTEOSA-N 1 0 349.456 2.523 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000159790792 473062426 /nfs/dbraw/zinc/06/24/26/473062426.db2.gz GRZBODOVELQGCG-GQCTYLIASA-N 1 0 347.390 2.738 20 5 EFBDRO Cc1nn(C)c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074775149 473062374 /nfs/dbraw/zinc/06/23/74/473062374.db2.gz OAOUJRUCJBMPHN-MRXNPFEDSA-N 1 0 343.431 2.738 20 5 EFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080650603 473063510 /nfs/dbraw/zinc/06/35/10/473063510.db2.gz UOPWFWWGSOMAEQ-ZDUSSCGKSA-N 1 0 339.823 2.715 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000080680945 473068450 /nfs/dbraw/zinc/06/84/50/473068450.db2.gz FRWJHNIIRKKKBO-OAHLLOKOSA-N 1 0 337.420 2.541 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC1CC[NH+](CCO)CC1 ZINC000108947155 473069547 /nfs/dbraw/zinc/06/95/47/473069547.db2.gz DVGHBSXPHIYTNL-UHFFFAOYSA-N 1 0 347.337 2.730 20 5 EFBDRO CC[C@]1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000135698178 473106490 /nfs/dbraw/zinc/10/64/90/473106490.db2.gz URWRYHBSPINLBJ-MRXNPFEDSA-N 1 0 332.360 2.646 20 5 EFBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000093433829 473107759 /nfs/dbraw/zinc/10/77/59/473107759.db2.gz CAENWDVREHSKOF-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961630 473114212 /nfs/dbraw/zinc/11/42/12/473114212.db2.gz YZKRVBPTMXEGNJ-ZDUSSCGKSA-N 1 0 343.387 2.526 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)NCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000052522300 473118042 /nfs/dbraw/zinc/11/80/42/473118042.db2.gz CLDJVWWQLJEHJT-KDOFPFPSSA-N 1 0 348.447 2.905 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000052556252 473123834 /nfs/dbraw/zinc/12/38/34/473123834.db2.gz CVUFTLZFWXWWNT-KDOFPFPSSA-N 1 0 348.447 2.905 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000093613327 473126338 /nfs/dbraw/zinc/12/63/38/473126338.db2.gz OMUHAOHWQGJOSU-JORFTBQQSA-N 1 0 346.427 2.860 20 5 EFBDRO CCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160453623 473127069 /nfs/dbraw/zinc/12/70/69/473127069.db2.gz JUVAEAVXMQDAMZ-GOEBONIOSA-N 1 0 329.404 2.941 20 5 EFBDRO Cc1c(CC(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000160540542 473139302 /nfs/dbraw/zinc/13/93/02/473139302.db2.gz NZZBLPZFUYDUAS-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000052722495 473142056 /nfs/dbraw/zinc/14/20/56/473142056.db2.gz GQKNQSJWTLOTGH-CQSZACIVSA-N 1 0 345.403 2.586 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000160554435 473142481 /nfs/dbraw/zinc/14/24/81/473142481.db2.gz WESQENOCYOZOGX-SNVBAGLBSA-N 1 0 343.811 2.649 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093819956 473150380 /nfs/dbraw/zinc/15/03/80/473150380.db2.gz ATQLDTIOSMGHRX-SFHVURJKSA-N 1 0 342.399 2.608 20 5 EFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110350848 473152393 /nfs/dbraw/zinc/15/23/93/473152393.db2.gz SPZSTFQFCZIZHH-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110349778 473152830 /nfs/dbraw/zinc/15/28/30/473152830.db2.gz GDFBJHOQXVHNRN-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO Cc1noc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052863679 473157454 /nfs/dbraw/zinc/15/74/54/473157454.db2.gz RVFPSKFKQCGUNL-CQSZACIVSA-N 1 0 346.387 2.935 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCC1 ZINC000052936705 473165803 /nfs/dbraw/zinc/16/58/03/473165803.db2.gz IVFYTULBJBXAKN-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160747861 473171204 /nfs/dbraw/zinc/17/12/04/473171204.db2.gz USUROBIPKQYWEG-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000136695730 473172557 /nfs/dbraw/zinc/17/25/57/473172557.db2.gz QBVSOBDMCFZGOQ-UHFFFAOYSA-N 1 0 330.388 2.771 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1O ZINC000136702461 473172987 /nfs/dbraw/zinc/17/29/87/473172987.db2.gz LEBHJNRPDBQWCB-CYBMUJFWSA-N 1 0 336.388 2.890 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066945423 473181091 /nfs/dbraw/zinc/18/10/91/473181091.db2.gz DJVWKSLJRRMIPZ-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066946216 473181810 /nfs/dbraw/zinc/18/18/10/473181810.db2.gz QJIFZFBURBPJKP-UHFFFAOYSA-N 1 0 345.399 2.824 20 5 EFBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000094159529 473183486 /nfs/dbraw/zinc/18/34/86/473183486.db2.gz PARVFEZDVXRREE-HNNXBMFYSA-N 1 0 343.431 2.967 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136984594 473189321 /nfs/dbraw/zinc/18/93/21/473189321.db2.gz WJHUNVKFMWJYQI-KRWDZBQOSA-N 1 0 335.448 2.682 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000081363427 473190606 /nfs/dbraw/zinc/19/06/06/473190606.db2.gz ONRIFKOOUDPEHZ-WAVCKPEOSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000081364147 473191468 /nfs/dbraw/zinc/19/14/68/473191468.db2.gz NCZAJLDYXSTIRV-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000161033914 473200547 /nfs/dbraw/zinc/20/05/47/473200547.db2.gz RANKKWUKNYEZPL-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124009211 473204440 /nfs/dbraw/zinc/20/44/40/473204440.db2.gz ZALSXPIYZMSKGS-UHFFFAOYSA-N 1 0 347.337 2.931 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000177571423 473400358 /nfs/dbraw/zinc/40/03/58/473400358.db2.gz SZFACJNAAYNSOZ-JSGCOSHPSA-N 1 0 337.445 2.676 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177596521 473403883 /nfs/dbraw/zinc/40/38/83/473403883.db2.gz KGYVBRHHCOGDDY-STQMWFEESA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000151075949 473405313 /nfs/dbraw/zinc/40/53/13/473405313.db2.gz CHQLAANVNKHKEN-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000125402416 473405756 /nfs/dbraw/zinc/40/57/56/473405756.db2.gz UHLBQCZZQSEUHA-RHSMWYFYSA-N 1 0 329.400 2.570 20 5 EFBDRO COc1cc(C[N@@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190843902 473408130 /nfs/dbraw/zinc/40/81/30/473408130.db2.gz DGMZXRUHONHRJL-LLVKDONJSA-N 1 0 326.418 2.797 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177652885 473412193 /nfs/dbraw/zinc/41/21/93/473412193.db2.gz FPFASFLYNIVEFM-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185436716 473426692 /nfs/dbraw/zinc/42/66/92/473426692.db2.gz MQEIPUZFHJCJLJ-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185447276 473429725 /nfs/dbraw/zinc/42/97/25/473429725.db2.gz AXBFGEVFGRNOBD-ZDUSSCGKSA-N 1 0 335.404 2.516 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185473541 473436326 /nfs/dbraw/zinc/43/63/26/473436326.db2.gz OYXYFAKKOBOZSP-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000114204419 473446502 /nfs/dbraw/zinc/44/65/02/473446502.db2.gz BZHOPASPWRCHMK-UHFFFAOYSA-N 1 0 348.346 2.798 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185515890 473447846 /nfs/dbraw/zinc/44/78/46/473447846.db2.gz FNIWYSGVRXZIEW-UHFFFAOYSA-N 1 0 342.395 2.957 20 5 EFBDRO CC(C)CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000114383743 473459489 /nfs/dbraw/zinc/45/94/89/473459489.db2.gz VJQRTQBAWBTHHZ-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171838246 473467298 /nfs/dbraw/zinc/46/72/98/473467298.db2.gz KXEQWXUAMMLVAM-XJKSGUPXSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000151526169 473469209 /nfs/dbraw/zinc/46/92/09/473469209.db2.gz IRADRSDWIGGLPA-CJNGLKHVSA-N 1 0 332.404 2.851 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000114460299 473469546 /nfs/dbraw/zinc/46/95/46/473469546.db2.gz VVSWTBNBKWWOAN-CVEARBPZSA-N 1 0 336.388 2.587 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000151526329 473469578 /nfs/dbraw/zinc/46/95/78/473469578.db2.gz IRADRSDWIGGLPA-BBRMVZONSA-N 1 0 332.404 2.851 20 5 EFBDRO Cc1[nH+]ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1Cl ZINC000616955348 480040757 /nfs/dbraw/zinc/04/07/57/480040757.db2.gz GZJVCGAJDMBLTE-UHFFFAOYSA-N 1 0 335.747 2.757 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000114489985 473476315 /nfs/dbraw/zinc/47/63/15/473476315.db2.gz FZTCTWXEFJAXGV-QGZVFWFLSA-N 1 0 339.395 2.683 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000126051712 473483399 /nfs/dbraw/zinc/48/33/99/473483399.db2.gz MWBSTSRMSHHPNF-UHFFFAOYSA-N 1 0 349.362 2.839 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000114643337 473488963 /nfs/dbraw/zinc/48/89/63/473488963.db2.gz MMERMKXFTKIEGN-INIZCTEOSA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329826 473492650 /nfs/dbraw/zinc/49/26/50/473492650.db2.gz LRDXTICJSQMVLE-RDJZCZTQSA-N 1 0 335.448 2.911 20 5 EFBDRO Cn1cc([C@H]2CSCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191198342 473505271 /nfs/dbraw/zinc/50/52/71/473505271.db2.gz KNQFXRAEORONIN-MRXNPFEDSA-N 1 0 332.429 2.661 20 5 EFBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165709676 473514115 /nfs/dbraw/zinc/51/41/15/473514115.db2.gz AYASIRKTNSEYQJ-UHFFFAOYSA-N 1 0 331.214 2.814 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000165794982 473516489 /nfs/dbraw/zinc/51/64/89/473516489.db2.gz UVBDHYDYMXNADP-SCZZXKLOSA-N 1 0 343.225 2.955 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165979506 473519363 /nfs/dbraw/zinc/51/93/63/473519363.db2.gz YTMQNJHEUUNDTR-LLVKDONJSA-N 1 0 344.209 2.605 20 5 EFBDRO COCC1=CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185837628 473527821 /nfs/dbraw/zinc/52/78/21/473527821.db2.gz DZGSAEKDZRRNDS-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000191329146 473528824 /nfs/dbraw/zinc/52/88/24/473528824.db2.gz VWVHHWKARADYLJ-UHFFFAOYSA-N 1 0 332.404 2.960 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185845494 473528914 /nfs/dbraw/zinc/52/89/14/473528914.db2.gz SJMFVMIWZYNXQY-UHFFFAOYSA-N 1 0 341.411 2.902 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000191395224 473534311 /nfs/dbraw/zinc/53/43/11/473534311.db2.gz RXQLDXFTSITLAM-LYRGGWFBSA-N 1 0 349.431 2.623 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126687028 473537126 /nfs/dbraw/zinc/53/71/26/473537126.db2.gz XNKVMUKFADLWRX-WBMJQRKESA-N 1 0 347.390 2.823 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000115255240 473548100 /nfs/dbraw/zinc/54/81/00/473548100.db2.gz CGODMFBPEOEORO-UHFFFAOYSA-N 1 0 345.443 2.860 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000115255210 473548827 /nfs/dbraw/zinc/54/88/27/473548827.db2.gz KXIJCQQXBZGMPX-UHFFFAOYSA-N 1 0 331.416 2.931 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000178733704 473549987 /nfs/dbraw/zinc/54/99/87/473549987.db2.gz BBJIHAUHDCGMKN-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO CCC[NH+]1CCC(N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170640111 473570749 /nfs/dbraw/zinc/57/07/49/473570749.db2.gz OVICCMOBPWGRJP-UHFFFAOYSA-N 1 0 346.431 2.790 20 5 EFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccco1 ZINC000170639251 473571296 /nfs/dbraw/zinc/57/12/96/473571296.db2.gz RDNJNFWLOVUZCW-OAHLLOKOSA-N 1 0 344.371 2.787 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000115562656 473581942 /nfs/dbraw/zinc/58/19/42/473581942.db2.gz AAISKFWVYXVOJF-UHFFFAOYSA-N 1 0 333.388 2.664 20 5 EFBDRO CC(C)c1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000191894372 473587625 /nfs/dbraw/zinc/58/76/25/473587625.db2.gz IJPOTQCVJQEPGR-UHFFFAOYSA-N 1 0 341.411 2.938 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170719373 473595419 /nfs/dbraw/zinc/59/54/19/473595419.db2.gz WQSXTCMBIBCMJU-GFCCVEGCSA-N 1 0 338.795 2.950 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127307368 473598370 /nfs/dbraw/zinc/59/83/70/473598370.db2.gz MRRMGXQUKBYFCS-SWLSCSKDSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000186180566 473609192 /nfs/dbraw/zinc/60/91/92/473609192.db2.gz DGWFLWTWCUIAGC-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170719 473611800 /nfs/dbraw/zinc/61/18/00/473611800.db2.gz VTMOUJQOCLXOLX-RWMBFGLXSA-N 1 0 333.388 2.662 20 5 EFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000192036924 473613317 /nfs/dbraw/zinc/61/33/17/473613317.db2.gz HRANCYUNYOHTFL-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000172496914 473624908 /nfs/dbraw/zinc/62/49/08/473624908.db2.gz HJAXWKGZMRIPSH-QGZVFWFLSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116127654 473629121 /nfs/dbraw/zinc/62/91/21/473629121.db2.gz RCNMDOYNIPUGQX-OAHLLOKOSA-N 1 0 337.420 2.700 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC000116127789 473629314 /nfs/dbraw/zinc/62/93/14/473629314.db2.gz HWDIIFOJEDSBSS-AWEZNQCLSA-N 1 0 325.384 2.830 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000116232007 473640496 /nfs/dbraw/zinc/64/04/96/473640496.db2.gz YMJIHGKDXYSUOR-CQSZACIVSA-N 1 0 347.419 2.567 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186298971 473642323 /nfs/dbraw/zinc/64/23/23/473642323.db2.gz AEKUSDYZEFKNTK-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000153798270 473643186 /nfs/dbraw/zinc/64/31/86/473643186.db2.gz YDYWKCRPPQRIBU-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000192194132 473646094 /nfs/dbraw/zinc/64/60/94/473646094.db2.gz WBWFYOXFQYITQO-SWLSCSKDSA-N 1 0 335.429 2.528 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186322196 473649155 /nfs/dbraw/zinc/64/91/55/473649155.db2.gz KUQVHYDTKYKQKT-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192351079 473672885 /nfs/dbraw/zinc/67/28/85/473672885.db2.gz UFEARVMMNZMQSU-AWEZNQCLSA-N 1 0 341.367 2.906 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172698344 473673577 /nfs/dbraw/zinc/67/35/77/473673577.db2.gz OHOFSRJBEZBIJE-UHFFFAOYSA-N 1 0 341.411 2.728 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000186481801 473680317 /nfs/dbraw/zinc/68/03/17/473680317.db2.gz LPDRVFVCANJBLH-YVEFUNNKSA-N 1 0 342.399 2.598 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000192510518 473686918 /nfs/dbraw/zinc/68/69/18/473686918.db2.gz ROBNXRRRAHTPJV-UHFFFAOYSA-N 1 0 344.419 2.591 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000172832017 473690111 /nfs/dbraw/zinc/69/01/11/473690111.db2.gz NHGIKJSVBBTANN-OAHLLOKOSA-N 1 0 348.447 2.730 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000172835625 473690730 /nfs/dbraw/zinc/69/07/30/473690730.db2.gz HLCJNXKBIBYPPP-OFAQMXQXSA-N 1 0 331.416 2.941 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576874 473692730 /nfs/dbraw/zinc/69/27/30/473692730.db2.gz SRENLHHKDNCXPC-GDBMZVCRSA-N 1 0 342.823 2.904 20 5 EFBDRO NC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179580079 473696528 /nfs/dbraw/zinc/69/65/28/473696528.db2.gz XYPQBLUZSPZSMW-AWEZNQCLSA-N 1 0 331.397 2.773 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000172895203 473698785 /nfs/dbraw/zinc/69/87/85/473698785.db2.gz HQJBXCFIUAWRQD-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269120880 473699502 /nfs/dbraw/zinc/69/95/02/473699502.db2.gz SROKVPIQTJFCMU-SWLSCSKDSA-N 1 0 343.383 2.897 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172907894 473701879 /nfs/dbraw/zinc/70/18/79/473701879.db2.gz QHJAXIHFBDQADC-UHFFFAOYSA-N 1 0 327.384 2.732 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000192683386 473704396 /nfs/dbraw/zinc/70/43/96/473704396.db2.gz ZKLPDDAQCISLTM-UHFFFAOYSA-N 1 0 331.376 2.503 20 5 EFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020484 473706760 /nfs/dbraw/zinc/70/67/60/473706760.db2.gz MUGUAZSZBXJQTD-VXGBXAGGSA-N 1 0 347.371 2.927 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000274052611 473719108 /nfs/dbraw/zinc/71/91/08/473719108.db2.gz NMNAUMIQQNJTPY-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000269181447 473721484 /nfs/dbraw/zinc/72/14/84/473721484.db2.gz IDRNTZIZKFHSGG-GHMZBOCLSA-N 1 0 333.413 2.927 20 5 EFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269185350 473723457 /nfs/dbraw/zinc/72/34/57/473723457.db2.gz FREOEZYNQHVYJD-UHFFFAOYSA-N 1 0 341.367 2.648 20 5 EFBDRO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173049715 473734200 /nfs/dbraw/zinc/73/42/00/473734200.db2.gz YUGDXGHGDSGYAT-LBPRGKRZSA-N 1 0 339.461 2.779 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000269235813 473743426 /nfs/dbraw/zinc/74/34/26/473743426.db2.gz WTRIGFSTAKNRGG-CQSZACIVSA-N 1 0 331.372 2.978 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245873415 473753811 /nfs/dbraw/zinc/75/38/11/473753811.db2.gz HJTHQMNDJRBMPO-UNEWFSDZSA-N 1 0 346.431 2.924 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1(C)C ZINC000281540971 473757104 /nfs/dbraw/zinc/75/71/04/473757104.db2.gz BCSHDQCAHSOHBT-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000245899191 473759339 /nfs/dbraw/zinc/75/93/39/473759339.db2.gz RURJHTQSFLLRPA-PBKGOJFUSA-N 1 0 335.404 2.956 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274225123 473766493 /nfs/dbraw/zinc/76/64/93/473766493.db2.gz OPXSXOPLOIBASZ-GXTWGEPZSA-N 1 0 332.404 2.500 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000281568269 473767899 /nfs/dbraw/zinc/76/78/99/473767899.db2.gz MBCBCBWCJWNKLV-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000186865414 473771476 /nfs/dbraw/zinc/77/14/76/473771476.db2.gz LTJCLVVHMIKODL-OCCSQVGLSA-N 1 0 349.456 2.873 20 5 EFBDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179998485 473773703 /nfs/dbraw/zinc/77/37/03/473773703.db2.gz HLCZKWNSORJGJI-HOTGVXAUSA-N 1 0 336.388 2.558 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246041495 473773734 /nfs/dbraw/zinc/77/37/34/473773734.db2.gz NYIHFTOFASGZJN-ULQDDVLXSA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000173229565 473774643 /nfs/dbraw/zinc/77/46/43/473774643.db2.gz INDFQVPJDAXFED-QLFBSQMISA-N 1 0 333.432 2.999 20 5 EFBDRO COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274299730 473777100 /nfs/dbraw/zinc/77/71/00/473777100.db2.gz JGPYNNCYWJXVPL-LLVKDONJSA-N 1 0 334.351 2.845 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000193385154 473785107 /nfs/dbraw/zinc/78/51/07/473785107.db2.gz DGEFAYWGBOGZMM-UHFFFAOYSA-N 1 0 336.461 2.951 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000269368468 473788572 /nfs/dbraw/zinc/78/85/72/473788572.db2.gz LLGLWLZYKNWQSR-UHFFFAOYSA-N 1 0 340.811 2.700 20 5 EFBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000173268663 473788716 /nfs/dbraw/zinc/78/87/16/473788716.db2.gz KVALABRECBWVDY-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180065043 473789342 /nfs/dbraw/zinc/78/93/42/473789342.db2.gz QOYOCSUOMGHWSS-CYBMUJFWSA-N 1 0 343.383 2.942 20 5 EFBDRO Cc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193471884 473789673 /nfs/dbraw/zinc/78/96/73/473789673.db2.gz UCLORXRUHSQCJN-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173342524 473809907 /nfs/dbraw/zinc/80/99/07/473809907.db2.gz DBWHOKIRZRLXTE-GFCCVEGCSA-N 1 0 331.347 2.815 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000274408761 473811913 /nfs/dbraw/zinc/81/19/13/473811913.db2.gz BRMLGBJYQCADHA-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287977128 473813501 /nfs/dbraw/zinc/81/35/01/473813501.db2.gz UQPQATJVSRBFCS-MNOVXSKESA-N 1 0 333.417 2.663 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263712086 473815779 /nfs/dbraw/zinc/81/57/79/473815779.db2.gz KJCGGWXKHGARRS-MRXNPFEDSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000274433204 473821413 /nfs/dbraw/zinc/82/14/13/473821413.db2.gz FHHQPYIJTXEERM-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392527 473824442 /nfs/dbraw/zinc/82/44/42/473824442.db2.gz RQVMIZFZCPBTID-CQSZACIVSA-N 1 0 339.395 2.830 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194021878 473828650 /nfs/dbraw/zinc/82/86/50/473828650.db2.gz KAOXJGFXCTURIS-CYBMUJFWSA-N 1 0 336.392 2.667 20 5 EFBDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173418398 473832340 /nfs/dbraw/zinc/83/23/40/473832340.db2.gz IGGYAIZAZCVINL-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173432612 473836360 /nfs/dbraw/zinc/83/63/60/473836360.db2.gz BSCKLSVNVLIMAJ-ZDUSSCGKSA-N 1 0 331.372 2.967 20 5 EFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000194066391 473837233 /nfs/dbraw/zinc/83/72/33/473837233.db2.gz YLBYNYSZTYMVPE-LRDDRELGSA-N 1 0 345.359 2.783 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000288085852 473843402 /nfs/dbraw/zinc/84/34/02/473843402.db2.gz GDNKUONBNQERMQ-TZMCWYRMSA-N 1 0 329.356 2.581 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269630571 473848543 /nfs/dbraw/zinc/84/85/43/473848543.db2.gz FKHJILDTPJVJMD-QGZVFWFLSA-N 1 0 331.416 2.960 20 5 EFBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263789226 473850377 /nfs/dbraw/zinc/85/03/77/473850377.db2.gz HIAWYNYATYYURB-LLVKDONJSA-N 1 0 333.413 2.938 20 5 EFBDRO CN(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000246399889 473850558 /nfs/dbraw/zinc/85/05/58/473850558.db2.gz TZCFZXKFZZFFSE-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO CC(C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000269653046 473853662 /nfs/dbraw/zinc/85/36/62/473853662.db2.gz QYPRVXNAPCXYEA-HNNXBMFYSA-N 1 0 342.390 2.557 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000269677251 473857041 /nfs/dbraw/zinc/85/70/41/473857041.db2.gz QAUGLJLXUSPVFL-LJQANCHMSA-N 1 0 347.459 2.826 20 5 EFBDRO CN(C(=O)C[N@H+](C)CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000187343505 473860023 /nfs/dbraw/zinc/86/00/23/473860023.db2.gz JLQPPVOYDRLXTN-UHFFFAOYSA-N 1 0 349.431 2.575 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000274532555 473864257 /nfs/dbraw/zinc/86/42/57/473864257.db2.gz UPGINMCMERVTPE-CYBMUJFWSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000173528117 473867048 /nfs/dbraw/zinc/86/70/48/473867048.db2.gz DEUJGDFKLZXELR-SWLSCSKDSA-N 1 0 345.403 2.559 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@@H]1c1ccccc1 ZINC000288182774 473868784 /nfs/dbraw/zinc/86/87/84/473868784.db2.gz REEANHXAYPYCEL-OAHLLOKOSA-N 1 0 329.404 2.613 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000269704757 473869773 /nfs/dbraw/zinc/86/97/73/473869773.db2.gz ZGLQEJNRDHJYRI-RDJZCZTQSA-N 1 0 348.378 2.519 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000274546457 473870368 /nfs/dbraw/zinc/87/03/68/473870368.db2.gz VWMXBTQGQFLDSU-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269722163 473871105 /nfs/dbraw/zinc/87/11/05/473871105.db2.gz SWWXYZQAQOHJRK-MRXNPFEDSA-N 1 0 347.415 2.627 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413790 473873087 /nfs/dbraw/zinc/87/30/87/473873087.db2.gz DOKXDFLCLHNTBS-NVXWUHKLSA-N 1 0 335.448 2.821 20 5 EFBDRO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443286 473879892 /nfs/dbraw/zinc/87/98/92/473879892.db2.gz SPWIZTPQRBSNLX-OAHLLOKOSA-N 1 0 341.411 2.913 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263870364 473884284 /nfs/dbraw/zinc/88/42/84/473884284.db2.gz FGODLIPDDMZGRV-STQMWFEESA-N 1 0 339.461 2.922 20 5 EFBDRO Cc1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000269918047 473916555 /nfs/dbraw/zinc/91/65/55/473916555.db2.gz JXAQPXXVVQVOAY-LLVKDONJSA-N 1 0 333.417 2.650 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246736678 473946213 /nfs/dbraw/zinc/94/62/13/473946213.db2.gz PCOSQFACMHWONQ-ZOWXZIJZSA-N 1 0 346.387 2.941 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000180709794 473947922 /nfs/dbraw/zinc/94/79/22/473947922.db2.gz SANPNXAELLSLPV-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000288462657 473948747 /nfs/dbraw/zinc/94/87/47/473948747.db2.gz QBLFDIUCUUYEIF-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccco1 ZINC000180714896 473948884 /nfs/dbraw/zinc/94/88/84/473948884.db2.gz NNXHJQOGNINSOB-CQSZACIVSA-N 1 0 346.387 2.583 20 5 EFBDRO CSc1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188016689 473955913 /nfs/dbraw/zinc/95/59/13/473955913.db2.gz YBANYVHRHUBNQT-UHFFFAOYSA-N 1 0 325.434 2.634 20 5 EFBDRO Cc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000264241941 473956673 /nfs/dbraw/zinc/95/66/73/473956673.db2.gz JQJOARUCZFENLV-UHFFFAOYSA-N 1 0 343.431 2.738 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288489756 473956743 /nfs/dbraw/zinc/95/67/43/473956743.db2.gz RLWVWKWAXUDZGZ-KBPBESRZSA-N 1 0 347.415 2.692 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180770123 473960200 /nfs/dbraw/zinc/96/02/00/473960200.db2.gz RNIHXZKWUKDICS-ZDUSSCGKSA-N 1 0 348.447 2.807 20 5 EFBDRO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000188049079 473963084 /nfs/dbraw/zinc/96/30/84/473963084.db2.gz SJTZPIXUSNDFHJ-LLVKDONJSA-N 1 0 335.429 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4CCC4)CC3)nc2c1 ZINC000274796668 473963079 /nfs/dbraw/zinc/96/30/79/473963079.db2.gz DFAGFOJYLYYMPR-UHFFFAOYSA-N 1 0 329.404 2.783 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000173960662 473965915 /nfs/dbraw/zinc/96/59/15/473965915.db2.gz QFMIJRHPTJQSGM-INIZCTEOSA-N 1 0 349.431 2.768 20 5 EFBDRO CSc1cccc(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000188057151 473966165 /nfs/dbraw/zinc/96/61/65/473966165.db2.gz GBKXAXRZTFRHLR-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180809184 473970235 /nfs/dbraw/zinc/97/02/35/473970235.db2.gz CQFBUJGEYPKGAM-CQSZACIVSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270067739 473976963 /nfs/dbraw/zinc/97/69/63/473976963.db2.gz GLCWFOOBWQDLSY-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@@H]1O ZINC000270073734 473979663 /nfs/dbraw/zinc/97/96/63/473979663.db2.gz IKWLQHCXFSHPIW-ZBFHGGJFSA-N 1 0 345.399 2.885 20 5 EFBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194941736 473981016 /nfs/dbraw/zinc/98/10/16/473981016.db2.gz AKSXOLQMXVMVNW-QGZVFWFLSA-N 1 0 335.404 2.814 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270083925 473982952 /nfs/dbraw/zinc/98/29/52/473982952.db2.gz NJRPERSOBSDEOP-CQSZACIVSA-N 1 0 332.404 2.790 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174101793 473986000 /nfs/dbraw/zinc/98/60/00/473986000.db2.gz OPXBGOOXJQNFNW-GFCCVEGCSA-N 1 0 328.796 2.733 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270096628 473988154 /nfs/dbraw/zinc/98/81/54/473988154.db2.gz KTCQGHDBHCQFFZ-INIZCTEOSA-N 1 0 331.416 2.707 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174180800 474002781 /nfs/dbraw/zinc/00/27/81/474002781.db2.gz YGFYLVUJFRDHAR-HNNXBMFYSA-N 1 0 332.404 2.981 20 5 EFBDRO Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000288630455 474005192 /nfs/dbraw/zinc/00/51/92/474005192.db2.gz WNABQMXDVJACCS-GFCCVEGCSA-N 1 0 343.387 2.654 20 5 EFBDRO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244047 474011566 /nfs/dbraw/zinc/01/15/66/474011566.db2.gz WPWRTECEMNOMKC-ZDUSSCGKSA-N 1 0 349.431 2.741 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCc2occc2C1 ZINC000288721267 474031228 /nfs/dbraw/zinc/03/12/28/474031228.db2.gz FWDBPIFDIDFIFC-GFCCVEGCSA-N 1 0 329.356 2.963 20 5 EFBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2cccc([N+](=O)[O-])c2C)O1 ZINC000282359169 474035670 /nfs/dbraw/zinc/03/56/70/474035670.db2.gz DDVHOGGFEKEWJV-AHBIMHKDSA-N 1 0 348.399 2.587 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000247038213 474045671 /nfs/dbraw/zinc/04/56/71/474045671.db2.gz ULZUEVFEXWPSMS-VNHYZAJKSA-N 1 0 346.431 2.889 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559618 474048254 /nfs/dbraw/zinc/04/82/54/474048254.db2.gz WSXRQLPIPHFBNS-SJCJKPOMSA-N 1 0 341.367 2.757 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC(c3nnc4n3CCCC4)CC2)cs1 ZINC000275047669 474053023 /nfs/dbraw/zinc/05/30/23/474053023.db2.gz ZJPZKHGUKGBZRJ-UHFFFAOYSA-N 1 0 347.444 2.964 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275055054 474056176 /nfs/dbraw/zinc/05/61/76/474056176.db2.gz IWWMLFOTLUMNAT-CVEARBPZSA-N 1 0 339.436 2.746 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2occc2C1 ZINC000288808686 474058172 /nfs/dbraw/zinc/05/81/72/474058172.db2.gz MHMPRLDKPBFOCF-UHFFFAOYSA-N 1 0 329.356 2.883 20 5 EFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000270295523 474061846 /nfs/dbraw/zinc/06/18/46/474061846.db2.gz PZOXBDMWHIXKRA-KRWDZBQOSA-N 1 0 334.347 2.740 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270300168 474062891 /nfs/dbraw/zinc/06/28/91/474062891.db2.gz YGQIIHQLPWAUSC-BBOMDTFKSA-N 1 0 343.427 2.798 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(F)cc1 ZINC000282445915 474068626 /nfs/dbraw/zinc/06/86/26/474068626.db2.gz LLCNEUKAUDJPCD-QGZVFWFLSA-N 1 0 348.374 2.648 20 5 EFBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000264640668 474070629 /nfs/dbraw/zinc/07/06/29/474070629.db2.gz VNYYMLROJMBZGL-CQSZACIVSA-N 1 0 345.399 2.665 20 5 EFBDRO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195448497 474076591 /nfs/dbraw/zinc/07/65/91/474076591.db2.gz LZRGBYWTJWBVDN-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195445150 474077473 /nfs/dbraw/zinc/07/74/73/474077473.db2.gz YUOIIJNAVIYWEG-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282470744 474077544 /nfs/dbraw/zinc/07/75/44/474077544.db2.gz NSTXDTVWGYFEBD-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000181997089 474077685 /nfs/dbraw/zinc/07/76/85/474077685.db2.gz KDTZELKLEUEYFQ-HNNXBMFYSA-N 1 0 335.404 2.517 20 5 EFBDRO CC1CC[NH+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282486119 474084276 /nfs/dbraw/zinc/08/42/76/474084276.db2.gz QNBGPXVNBLSZLG-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1)C1CC1 ZINC000182060347 474091175 /nfs/dbraw/zinc/09/11/75/474091175.db2.gz JRLLAIKGDQVDNN-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275164903 474091483 /nfs/dbraw/zinc/09/14/83/474091483.db2.gz VKRHCKJJMKJKEF-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000174802084 474099271 /nfs/dbraw/zinc/09/92/71/474099271.db2.gz FWSUPWHOZHTWIT-INIZCTEOSA-N 1 0 336.436 2.589 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247251509 474099739 /nfs/dbraw/zinc/09/97/39/474099739.db2.gz AKSOBCQEWNQOTP-CJNGLKHVSA-N 1 0 334.420 2.637 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275206591 474103252 /nfs/dbraw/zinc/10/32/52/474103252.db2.gz IXKIOBHPVBUSPP-HOCLYGCPSA-N 1 0 335.404 2.779 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000198152810 474104901 /nfs/dbraw/zinc/10/49/01/474104901.db2.gz AUQUJOFKIAIORX-QGZVFWFLSA-N 1 0 339.395 2.528 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000182137130 474106473 /nfs/dbraw/zinc/10/64/73/474106473.db2.gz NUXNLHOSOXBIDF-TZMCWYRMSA-N 1 0 341.839 2.525 20 5 EFBDRO CCCC[N@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000182141387 474107825 /nfs/dbraw/zinc/10/78/25/474107825.db2.gz UDYNUPKQAOCAEB-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000175004615 474130278 /nfs/dbraw/zinc/13/02/78/474130278.db2.gz LEMLGTMEMBIFQU-UKRRQHHQSA-N 1 0 349.456 2.772 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000214393705 474137055 /nfs/dbraw/zinc/13/70/55/474137055.db2.gz XHRQRCWIZYXBOQ-KHPPLWFESA-N 1 0 339.395 2.986 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000270502833 474145388 /nfs/dbraw/zinc/14/53/88/474145388.db2.gz IEIKWWLIXHEAMM-CXAGYDPISA-N 1 0 344.415 2.835 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000247450295 474148463 /nfs/dbraw/zinc/14/84/63/474148463.db2.gz ZDGCKCQXVKGUNZ-PQMVAPIISA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282675119 474151821 /nfs/dbraw/zinc/15/18/21/474151821.db2.gz HIFLIEBNIOQQDL-OAHLLOKOSA-N 1 0 348.447 2.653 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264868620 474155355 /nfs/dbraw/zinc/15/53/55/474155355.db2.gz AFEDJMDWKWNKDM-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCC2)ccc1Br ZINC000221609341 474162263 /nfs/dbraw/zinc/16/22/63/474162263.db2.gz CXWHEPWQDRQTSM-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000182406064 474168910 /nfs/dbraw/zinc/16/89/10/474168910.db2.gz NYALQTLXRURIMD-UNEWFSDZSA-N 1 0 346.431 2.782 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000275399547 474171894 /nfs/dbraw/zinc/17/18/94/474171894.db2.gz CINUSHHWLJSNIV-DOTOQJQBSA-N 1 0 330.388 2.647 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175261041 474174716 /nfs/dbraw/zinc/17/47/16/474174716.db2.gz NCZZLSKGLKSUGJ-INIZCTEOSA-N 1 0 346.431 2.659 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000275433361 474182919 /nfs/dbraw/zinc/18/29/19/474182919.db2.gz FPNRMDFGSWZJQT-UHFFFAOYSA-N 1 0 343.225 2.673 20 5 EFBDRO CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275431891 474183960 /nfs/dbraw/zinc/18/39/60/474183960.db2.gz ISGFOKDNZFAGPA-KGLIPLIRSA-N 1 0 325.409 2.750 20 5 EFBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])o3)C1)CCCC2 ZINC000275448843 474189996 /nfs/dbraw/zinc/18/99/96/474189996.db2.gz WAEVJSZMVHBAQE-LBPRGKRZSA-N 1 0 344.371 2.659 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000247672104 474197454 /nfs/dbraw/zinc/19/74/54/474197454.db2.gz QAVBLSXZJNEGCZ-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275480935 474201788 /nfs/dbraw/zinc/20/17/88/474201788.db2.gz DXDYOZILBAQXCY-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247731640 474204753 /nfs/dbraw/zinc/20/47/53/474204753.db2.gz VFXVHHKCGPYSEX-GDBMZVCRSA-N 1 0 330.388 2.753 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000282829275 474208399 /nfs/dbraw/zinc/20/83/99/474208399.db2.gz LHQNINFIVSZYLE-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCF ZINC000282842236 474215460 /nfs/dbraw/zinc/21/54/60/474215460.db2.gz SUFLKTFUKSQZLN-NEPJUHHUSA-N 1 0 343.424 2.529 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247891872 474222753 /nfs/dbraw/zinc/22/27/53/474222753.db2.gz FMJKHARDVZVGRO-SMDDNHRTSA-N 1 0 337.807 2.805 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000275535225 474226681 /nfs/dbraw/zinc/22/66/81/474226681.db2.gz YYIUYTXMSFEKEO-UHFFFAOYSA-N 1 0 343.225 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000182657160 474227218 /nfs/dbraw/zinc/22/72/18/474227218.db2.gz ORROXHCHHBEIMY-ZDUSSCGKSA-N 1 0 331.416 2.955 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247946619 474228959 /nfs/dbraw/zinc/22/89/59/474228959.db2.gz DOKIBMCYMYMEMP-CZUORRHYSA-N 1 0 349.456 2.630 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175524377 474241423 /nfs/dbraw/zinc/24/14/23/474241423.db2.gz KWMZXNSNZSQXGE-CQSZACIVSA-N 1 0 336.436 2.995 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000282925513 474243777 /nfs/dbraw/zinc/24/37/77/474243777.db2.gz WUENZQIBYPHQLY-UONOGXRCSA-N 1 0 347.415 2.692 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000282925511 474243915 /nfs/dbraw/zinc/24/39/15/474243915.db2.gz WUENZQIBYPHQLY-KGLIPLIRSA-N 1 0 347.415 2.692 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000282927214 474244107 /nfs/dbraw/zinc/24/41/07/474244107.db2.gz WYLSIRGVPRYTFC-XJKSGUPXSA-N 1 0 349.431 2.796 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228017292 474248121 /nfs/dbraw/zinc/24/81/21/474248121.db2.gz JDPPLOMQCIQSNR-UWVGGRQHSA-N 1 0 343.225 2.624 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCCO)Cc1ccccn1 ZINC000289388382 474250357 /nfs/dbraw/zinc/25/03/57/474250357.db2.gz DMVRTQQEKNDFLG-VMPITWQZSA-N 1 0 327.384 2.888 20 5 EFBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000265548794 474250971 /nfs/dbraw/zinc/25/09/71/474250971.db2.gz YFFDLXYQGNLDHS-UHFFFAOYSA-N 1 0 334.401 2.905 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182829725 474267127 /nfs/dbraw/zinc/26/71/27/474267127.db2.gz TZDOOWGPGFXGSR-HOTGVXAUSA-N 1 0 333.432 2.618 20 5 EFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182848340 474269325 /nfs/dbraw/zinc/26/93/25/474269325.db2.gz BDXDSHBWZHMFOP-OLZOCXBDSA-N 1 0 346.431 2.560 20 5 EFBDRO COCCc1noc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000182845053 474269508 /nfs/dbraw/zinc/26/95/08/474269508.db2.gz ZRWDGJWNIMBXII-LBPRGKRZSA-N 1 0 334.376 2.668 20 5 EFBDRO C[C@@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000265624412 474271832 /nfs/dbraw/zinc/27/18/32/474271832.db2.gz YMESTFKSJKOAKB-GDBMZVCRSA-N 1 0 343.431 2.818 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000275676615 474276669 /nfs/dbraw/zinc/27/66/69/474276669.db2.gz ZMSWGIPZIMXLCO-UHFFFAOYSA-N 1 0 335.407 2.918 20 5 EFBDRO CC[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175677672 474281641 /nfs/dbraw/zinc/28/16/41/474281641.db2.gz CFHSOYZYRKLXBZ-QGZVFWFLSA-N 1 0 346.431 2.972 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCCOCC2)o1 ZINC000289477351 474288765 /nfs/dbraw/zinc/28/87/65/474288765.db2.gz QBRXNBREGLCVKW-UHFFFAOYSA-N 1 0 345.399 2.667 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955587 474296222 /nfs/dbraw/zinc/29/62/22/474296222.db2.gz ZVWYPLCPUPYBCK-MRXNPFEDSA-N 1 0 334.464 2.534 20 5 EFBDRO COC(=O)[C@@H](Cc1ccc(F)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000275744810 474302305 /nfs/dbraw/zinc/30/23/05/474302305.db2.gz RNWIMYWQRWLPNB-QGZVFWFLSA-N 1 0 346.358 2.650 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC000248437619 474323173 /nfs/dbraw/zinc/32/31/73/474323173.db2.gz SOVYYXCVYHLGIG-SKDZVZGDSA-N 1 0 343.427 2.994 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265753906 474323644 /nfs/dbraw/zinc/32/36/44/474323644.db2.gz DDKOIYGHFDWNQO-IAGOWNOFSA-N 1 0 341.411 2.890 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000270933416 474327707 /nfs/dbraw/zinc/32/77/07/474327707.db2.gz IGKZOJIKWATPMT-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457612 474329821 /nfs/dbraw/zinc/32/98/21/474329821.db2.gz MMJBCWIEZYNKSP-ZBFHGGJFSA-N 1 0 345.399 2.510 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000289583051 474333930 /nfs/dbraw/zinc/33/39/30/474333930.db2.gz MNEHTZUTTWTPQJ-GFCCVEGCSA-N 1 0 325.409 2.519 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237122798 474343217 /nfs/dbraw/zinc/34/32/17/474343217.db2.gz FPPIVZKJWIZJOH-UHFFFAOYSA-N 1 0 331.416 2.761 20 5 EFBDRO COc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000237132980 474343498 /nfs/dbraw/zinc/34/34/98/474343498.db2.gz JELCZDGMVWEDLI-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189272692 474345010 /nfs/dbraw/zinc/34/50/10/474345010.db2.gz ZQKQDUUBVMPZSC-UHFFFAOYSA-N 1 0 346.431 2.809 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265820519 474348949 /nfs/dbraw/zinc/34/89/49/474348949.db2.gz RDSJIYXCQJGSPR-UHFFFAOYSA-N 1 0 333.432 2.861 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000248542882 474351762 /nfs/dbraw/zinc/35/17/62/474351762.db2.gz CRINQIJMLDYKLH-WWGRRREGSA-N 1 0 331.416 2.898 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000275898850 474354989 /nfs/dbraw/zinc/35/49/89/474354989.db2.gz TVPKCWYVCZYBRG-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265834617 474355446 /nfs/dbraw/zinc/35/54/46/474355446.db2.gz UCDNTJJQVMKQHX-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248558609 474356810 /nfs/dbraw/zinc/35/68/10/474356810.db2.gz IXIKCZNFXUWHKW-NWDGAFQWSA-N 1 0 325.384 2.684 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000283274794 474356911 /nfs/dbraw/zinc/35/69/11/474356911.db2.gz VWARUHXGQDVHGG-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248558611 474356950 /nfs/dbraw/zinc/35/69/50/474356950.db2.gz IXIKCZNFXUWHKW-VXGBXAGGSA-N 1 0 325.384 2.684 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000275906932 474357151 /nfs/dbraw/zinc/35/71/51/474357151.db2.gz UXZYULMNLGIKEE-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183254384 474359456 /nfs/dbraw/zinc/35/94/56/474359456.db2.gz PIQLIXDFCUJLQH-WMZOPIPTSA-N 1 0 346.431 2.838 20 5 EFBDRO C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1 ZINC000270998778 474360489 /nfs/dbraw/zinc/36/04/89/474360489.db2.gz FUEOYBWQMXLDEW-UHFFFAOYSA-N 1 0 344.415 2.818 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176004305 474362031 /nfs/dbraw/zinc/36/20/31/474362031.db2.gz BJJYZABGINYJLB-ZIAGYGMSSA-N 1 0 348.447 2.665 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCSC1 ZINC000271025717 474373925 /nfs/dbraw/zinc/37/39/25/474373925.db2.gz BATRNUCFMMOSCJ-DOMZBBRYSA-N 1 0 342.486 2.923 20 5 EFBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271025861 474374009 /nfs/dbraw/zinc/37/40/09/474374009.db2.gz BDWHRVVFYUEJTQ-NEPJUHHUSA-N 1 0 325.434 2.580 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000189398396 474384942 /nfs/dbraw/zinc/38/49/42/474384942.db2.gz IBFVSQWIPFBUMB-FMKPAKJESA-N 1 0 333.432 2.762 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000283390091 474389503 /nfs/dbraw/zinc/38/95/03/474389503.db2.gz GJOMEPXRLVZORZ-KBPBESRZSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000283390095 474389601 /nfs/dbraw/zinc/38/96/01/474389601.db2.gz GJOMEPXRLVZORZ-KGLIPLIRSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000265929346 474389505 /nfs/dbraw/zinc/38/95/05/474389505.db2.gz DDNWRHOCNQCBCR-GFCCVEGCSA-N 1 0 342.298 2.921 20 5 EFBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183536330 474389737 /nfs/dbraw/zinc/38/97/37/474389737.db2.gz YHBJYQHLBNTRNR-OCCSQVGLSA-N 1 0 344.371 2.558 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283393443 474390399 /nfs/dbraw/zinc/39/03/99/474390399.db2.gz USFCKJQOPNVSGL-HZPDHXFCSA-N 1 0 335.404 2.549 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000283392225 474391373 /nfs/dbraw/zinc/39/13/73/474391373.db2.gz GNOPCEGXWZHDDG-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237381685 474392751 /nfs/dbraw/zinc/39/27/51/474392751.db2.gz WEMVJBIVKGCXJL-ABAIWWIYSA-N 1 0 332.404 2.511 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000237412567 474398577 /nfs/dbraw/zinc/39/85/77/474398577.db2.gz RONSAWACUXLRDT-CZUORRHYSA-N 1 0 327.384 2.823 20 5 EFBDRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000289734947 474401892 /nfs/dbraw/zinc/40/18/92/474401892.db2.gz PXPFTKMMPKTJPB-YIONKMFJSA-N 1 0 349.431 2.669 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000276064913 474405446 /nfs/dbraw/zinc/40/54/46/474405446.db2.gz DOOVVGAILOTHMG-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000248694759 474405734 /nfs/dbraw/zinc/40/57/34/474405734.db2.gz JJJIGLZSMVOOQR-MOPGFXCFSA-N 1 0 340.379 2.760 20 5 EFBDRO COC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000276066882 474406280 /nfs/dbraw/zinc/40/62/80/474406280.db2.gz RZGHYHQPCLXVCT-JSGCOSHPSA-N 1 0 331.372 2.692 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000176197043 474406725 /nfs/dbraw/zinc/40/67/25/474406725.db2.gz BACGPOKQYWSNME-ZDUSSCGKSA-N 1 0 336.417 2.534 20 5 EFBDRO O=C(CC[N@H+](Cc1ccccn1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283454505 474408126 /nfs/dbraw/zinc/40/81/26/474408126.db2.gz IOWHVVQKVGIRSB-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237468860 474410594 /nfs/dbraw/zinc/41/05/94/474410594.db2.gz WYGMUOUHINNRRP-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000271161266 474411074 /nfs/dbraw/zinc/41/10/74/474411074.db2.gz QINQIERKMKAXRT-HNNXBMFYSA-N 1 0 347.419 2.614 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1csc(Br)c1 ZINC000176217422 474412384 /nfs/dbraw/zinc/41/23/84/474412384.db2.gz VJTWCOIIAGMKPI-UHFFFAOYSA-N 1 0 345.222 2.747 20 5 EFBDRO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1SC ZINC000176220774 474414395 /nfs/dbraw/zinc/41/43/95/474414395.db2.gz UARZQALKSYAVCI-UHFFFAOYSA-N 1 0 336.417 2.654 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)F ZINC000271173818 474420173 /nfs/dbraw/zinc/42/01/73/474420173.db2.gz UTQHFZUKEADJRC-BXKDBHETSA-N 1 0 338.351 2.978 20 5 EFBDRO Cc1cccc(NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176261695 474423565 /nfs/dbraw/zinc/42/35/65/474423565.db2.gz MTGHAFQAXWRDHE-UHFFFAOYSA-N 1 0 329.404 2.676 20 5 EFBDRO COC[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000289780429 474423740 /nfs/dbraw/zinc/42/37/40/474423740.db2.gz JNHTUPMFSPIHQY-LJQANCHMSA-N 1 0 342.395 2.799 20 5 EFBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248773401 474432417 /nfs/dbraw/zinc/43/24/17/474432417.db2.gz RHPLXJPDWTWNOQ-ZNMIVQPWSA-N 1 0 333.432 2.920 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000276166800 474437955 /nfs/dbraw/zinc/43/79/55/474437955.db2.gz RNPZPQKPPVXHOT-CXAGYDPISA-N 1 0 331.416 2.884 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176316756 474438318 /nfs/dbraw/zinc/43/83/18/474438318.db2.gz JMDAEEVBHMSQBN-DZGCQCFKSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271225029 474450979 /nfs/dbraw/zinc/45/09/79/474450979.db2.gz HBVLAEKLTKOPLF-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO COCOc1ccc(OC)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271227375 474451889 /nfs/dbraw/zinc/45/18/89/474451889.db2.gz PIQQTSNYNKIWNQ-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271233860 474454697 /nfs/dbraw/zinc/45/46/97/474454697.db2.gz CTWKFLUGALDYDI-WMLDXEAASA-N 1 0 344.415 2.588 20 5 EFBDRO COC[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000289862510 474460408 /nfs/dbraw/zinc/46/04/08/474460408.db2.gz ONPWFVMHCHWIQR-IBGZPJMESA-N 1 0 342.395 2.799 20 5 EFBDRO CC[C@]1(C)CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000248863942 474462229 /nfs/dbraw/zinc/46/22/29/474462229.db2.gz AMONAIBEXMFIOF-CXAGYDPISA-N 1 0 335.404 2.731 20 5 EFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000283707636 474475786 /nfs/dbraw/zinc/47/57/86/474475786.db2.gz DIIYONZMTPHCFG-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO C[C@H]1C[NH+](CC2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000283738235 474483230 /nfs/dbraw/zinc/48/32/30/474483230.db2.gz ITBZGCJDUCWARJ-KBPBESRZSA-N 1 0 348.447 2.503 20 5 EFBDRO COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC000184248523 474491349 /nfs/dbraw/zinc/49/13/49/474491349.db2.gz KXVYDGKXZYCKBK-LLVKDONJSA-N 1 0 334.351 2.845 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000276341917 474501917 /nfs/dbraw/zinc/50/19/17/474501917.db2.gz GGTOWACCGJQPPP-UHFFFAOYSA-N 1 0 333.413 2.690 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000266871555 474511156 /nfs/dbraw/zinc/51/11/56/474511156.db2.gz QDOJFSFJKMUSPW-GOSISDBHSA-N 1 0 349.431 2.763 20 5 EFBDRO Cc1cccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000176694199 474517907 /nfs/dbraw/zinc/51/79/07/474517907.db2.gz ISDHOFIFGRCUQO-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000176720388 474519965 /nfs/dbraw/zinc/51/99/65/474519965.db2.gz YTAUULFGDGJPEX-HUUCEWRRSA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176734576 474523015 /nfs/dbraw/zinc/52/30/15/474523015.db2.gz HSTDAPHOCRJPMS-AWEZNQCLSA-N 1 0 346.431 2.701 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000290005475 474523042 /nfs/dbraw/zinc/52/30/42/474523042.db2.gz DLBILJHXMBNONH-CYBMUJFWSA-N 1 0 349.456 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189974681 474523842 /nfs/dbraw/zinc/52/38/42/474523842.db2.gz WXWIJBOYIFERQB-ZWNOBZJWSA-N 1 0 330.331 2.837 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189974718 474524243 /nfs/dbraw/zinc/52/42/43/474524243.db2.gz WXWIJBOYIFERQB-GXFFZTMASA-N 1 0 330.331 2.837 20 5 EFBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000249096326 474525010 /nfs/dbraw/zinc/52/50/10/474525010.db2.gz YAASYDUJKLRPMA-DWQUBVKVSA-N 1 0 349.431 2.613 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000189984104 474527070 /nfs/dbraw/zinc/52/70/70/474527070.db2.gz HZBPJAKISAPLBD-UHFFFAOYSA-N 1 0 348.428 2.620 20 5 EFBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609018206 480110267 /nfs/dbraw/zinc/11/02/67/480110267.db2.gz SDBYVAOIZTYGGM-INIZCTEOSA-N 1 0 342.399 2.880 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238066875 474529468 /nfs/dbraw/zinc/52/94/68/474529468.db2.gz ZKLHSXZFIBHZCE-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266926875 474533045 /nfs/dbraw/zinc/53/30/45/474533045.db2.gz ZOSKAMRKHLYAHK-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000238106205 474535363 /nfs/dbraw/zinc/53/53/63/474535363.db2.gz YPBJXBTYTCZFJC-UHFFFAOYSA-N 1 0 341.367 2.869 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000184531836 474538109 /nfs/dbraw/zinc/53/81/09/474538109.db2.gz HFFWRFMNVYDCBE-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290081479 474551183 /nfs/dbraw/zinc/55/11/83/474551183.db2.gz IWDBRNGQHUHVRX-CQSZACIVSA-N 1 0 349.456 2.535 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])C1 ZINC000284032463 474554934 /nfs/dbraw/zinc/55/49/34/474554934.db2.gz PIPIZPIVOBXGSD-AWEZNQCLSA-N 1 0 349.431 2.797 20 5 EFBDRO Cc1ccc(NC2CC[NH+](C3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000266979674 474555286 /nfs/dbraw/zinc/55/52/86/474555286.db2.gz PLPYEMWONNKYJN-UHFFFAOYSA-N 1 0 332.448 2.874 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000276478038 474557900 /nfs/dbraw/zinc/55/79/00/474557900.db2.gz ZLVUONSRLIQZDN-UHFFFAOYSA-N 1 0 341.839 2.981 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276478694 474558976 /nfs/dbraw/zinc/55/89/76/474558976.db2.gz NUZSPRAFCJQSEI-CYBMUJFWSA-N 1 0 339.823 2.715 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000184653964 474575882 /nfs/dbraw/zinc/57/58/82/474575882.db2.gz SLBGTQHAOHJDMF-NVXWUHKLSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184660343 474576777 /nfs/dbraw/zinc/57/67/77/474576777.db2.gz LLHJAUFGDAECER-OAHLLOKOSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000245393129 474577603 /nfs/dbraw/zinc/57/76/03/474577603.db2.gz VIKHARKQUPZNOM-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC000190321762 474578781 /nfs/dbraw/zinc/57/87/81/474578781.db2.gz LWHKSZWNONDCBF-INIZCTEOSA-N 1 0 336.436 2.589 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F ZINC000271794918 474592288 /nfs/dbraw/zinc/59/22/88/474592288.db2.gz RDVPLMABKCQDEX-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184726498 474595655 /nfs/dbraw/zinc/59/56/55/474595655.db2.gz UHBXOIULYFNWKZ-NSHDSACASA-N 1 0 342.827 2.778 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000184727898 474596218 /nfs/dbraw/zinc/59/62/18/474596218.db2.gz AHJAFGKIJNFOAH-NVXWUHKLSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000184790792 474608463 /nfs/dbraw/zinc/60/84/63/474608463.db2.gz GINUAWJMIKHTPQ-JKSUJKDBSA-N 1 0 333.432 2.574 20 5 EFBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609018211 480110342 /nfs/dbraw/zinc/11/03/42/480110342.db2.gz SDBYVAOIZTYGGM-MRXNPFEDSA-N 1 0 342.399 2.880 20 5 EFBDRO C[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184798072 474610269 /nfs/dbraw/zinc/61/02/69/474610269.db2.gz FYRZRZMPMRKHLW-ZDUSSCGKSA-N 1 0 349.406 2.924 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000249758888 474612204 /nfs/dbraw/zinc/61/22/04/474612204.db2.gz FTIKXTKHZQZMRQ-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000267189698 474612743 /nfs/dbraw/zinc/61/27/43/474612743.db2.gz HCFGOLOOOUCEKC-DZGCQCFKSA-N 1 0 329.404 2.651 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000249800924 474616814 /nfs/dbraw/zinc/61/68/14/474616814.db2.gz YTLXWRKEWCMIQA-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO CS[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1[NH+]1CCCC1 ZINC000278348547 474617280 /nfs/dbraw/zinc/61/72/80/474617280.db2.gz JKYVTZDWPZBIJC-CVEARBPZSA-N 1 0 348.472 2.579 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000267247380 474627866 /nfs/dbraw/zinc/62/78/66/474627866.db2.gz TVFCJABUPCPKRP-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1F ZINC000284365364 474627905 /nfs/dbraw/zinc/62/79/05/474627905.db2.gz ZMAVYCBHSGJRSE-DOMZBBRYSA-N 1 0 335.379 2.599 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272858360 474627888 /nfs/dbraw/zinc/62/78/88/474627888.db2.gz HYYDPKDKBHIRLP-GFCCVEGCSA-N 1 0 344.415 2.549 20 5 EFBDRO CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000250372990 474632159 /nfs/dbraw/zinc/63/21/59/474632159.db2.gz VYAYOUQTKIPRKZ-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000267279436 474635541 /nfs/dbraw/zinc/63/55/41/474635541.db2.gz VQTVNMKLARUOTO-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000609135878 480116967 /nfs/dbraw/zinc/11/69/67/480116967.db2.gz YMIRFGDMSZYCPB-ZDUSSCGKSA-N 1 0 330.388 2.679 20 5 EFBDRO CCCCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272911472 474639929 /nfs/dbraw/zinc/63/99/29/474639929.db2.gz GQQACBZEYVIFOB-CYBMUJFWSA-N 1 0 328.434 2.927 20 5 EFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000291666408 474645226 /nfs/dbraw/zinc/64/52/26/474645226.db2.gz LHUBZFOXBPYJPB-PXAZEXFGSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000291666411 474645501 /nfs/dbraw/zinc/64/55/01/474645501.db2.gz LHUBZFOXBPYJPB-YVEFUNNKSA-N 1 0 342.399 2.598 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000278443574 474645994 /nfs/dbraw/zinc/64/59/94/474645994.db2.gz QYGVDTLMCMXHGP-NSHDSACASA-N 1 0 344.337 2.931 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000267322493 474647567 /nfs/dbraw/zinc/64/75/67/474647567.db2.gz WFCKOFYTAWIEBZ-NWDGAFQWSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272957006 474650795 /nfs/dbraw/zinc/65/07/95/474650795.db2.gz NDGXUKOWYGBOPG-CHWSQXEVSA-N 1 0 349.456 2.842 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000291696785 474651652 /nfs/dbraw/zinc/65/16/52/474651652.db2.gz JRRKTSPSVICTLG-UHFFFAOYSA-N 1 0 326.393 2.907 20 5 EFBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702592 474653536 /nfs/dbraw/zinc/65/35/36/474653536.db2.gz ZDSHABRSZYKDAY-OQPBUACISA-N 1 0 335.187 2.531 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000278481174 474656251 /nfs/dbraw/zinc/65/62/51/474656251.db2.gz FKJWGDOMSNBWIM-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000272978662 474657550 /nfs/dbraw/zinc/65/75/50/474657550.db2.gz LNHOGPZBRMHGCA-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000272996954 474663373 /nfs/dbraw/zinc/66/33/73/474663373.db2.gz NWAWTLSAMFYSBQ-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000337051893 474664468 /nfs/dbraw/zinc/66/44/68/474664468.db2.gz RVZJVXFSOQUUBP-UHFFFAOYSA-N 1 0 339.355 2.936 20 5 EFBDRO Cc1nccnc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000292871968 474687899 /nfs/dbraw/zinc/68/78/99/474687899.db2.gz BMHZOUWSAYOFBC-UHFFFAOYSA-N 1 0 338.314 2.627 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305115039 474694793 /nfs/dbraw/zinc/69/47/93/474694793.db2.gz HOIMEOAHAOFTAR-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278549512 474695272 /nfs/dbraw/zinc/69/52/72/474695272.db2.gz VSIKJNSYIPTZLN-GDBMZVCRSA-N 1 0 343.431 2.956 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000340830554 474697675 /nfs/dbraw/zinc/69/76/75/474697675.db2.gz ZKSNUBGOHUIWSK-HYSWKAIVSA-N 1 0 335.404 2.715 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000344379475 474703268 /nfs/dbraw/zinc/70/32/68/474703268.db2.gz UMJGCLJJAZLJSH-LBPRGKRZSA-N 1 0 339.823 2.639 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273076510 474704571 /nfs/dbraw/zinc/70/45/71/474704571.db2.gz PQQDEEGWQBKNTM-ROUUACIJSA-N 1 0 347.415 2.779 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292905765 474707654 /nfs/dbraw/zinc/70/76/54/474707654.db2.gz XVZIXSIDKASLOQ-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292907008 474709516 /nfs/dbraw/zinc/70/95/16/474709516.db2.gz FDYAQXNYUHXCNT-FZKQIMNGSA-N 1 0 344.415 2.636 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CCC[NH+](C)C ZINC000338895282 474711164 /nfs/dbraw/zinc/71/11/64/474711164.db2.gz OPBNQVKMBNBNLD-MRXNPFEDSA-N 1 0 335.448 2.964 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000344392528 474715388 /nfs/dbraw/zinc/71/53/88/474715388.db2.gz RMKCHKOSZRFPHK-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000267945145 474718884 /nfs/dbraw/zinc/71/88/84/474718884.db2.gz DLMZHZDXYXFBFZ-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000253356246 474723749 /nfs/dbraw/zinc/72/37/49/474723749.db2.gz OLHPIDOPVXIWAX-GJZGRUSLSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000267976845 474733190 /nfs/dbraw/zinc/73/31/90/474733190.db2.gz NRXQGBHDXNABHZ-TZMCWYRMSA-N 1 0 331.416 2.614 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421108 474740901 /nfs/dbraw/zinc/74/09/01/474740901.db2.gz GXXKOVPFRYGCNC-AVGNSLFASA-N 1 0 337.395 2.779 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000305728682 474757483 /nfs/dbraw/zinc/75/74/83/474757483.db2.gz MNWYNNKTKIFCCL-CZUORRHYSA-N 1 0 345.399 2.885 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CO ZINC000305742902 474764296 /nfs/dbraw/zinc/76/42/96/474764296.db2.gz SUWGTAXRWOJKJU-LRDDRELGSA-N 1 0 331.372 2.843 20 5 EFBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340905541 474765709 /nfs/dbraw/zinc/76/57/09/474765709.db2.gz NXWHDKAZRZJCAR-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293029568 474774394 /nfs/dbraw/zinc/77/43/94/474774394.db2.gz RLVVSGJGXIUHGL-GOSISDBHSA-N 1 0 333.432 2.911 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000291969976 474779256 /nfs/dbraw/zinc/77/92/56/474779256.db2.gz XONJJUKCRWHVJI-ZDUSSCGKSA-N 1 0 332.404 2.933 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000284837185 474793591 /nfs/dbraw/zinc/79/35/91/474793591.db2.gz QSQOUJIFSOHLGU-HZPDHXFCSA-N 1 0 334.372 2.605 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291996712 474793695 /nfs/dbraw/zinc/79/36/95/474793695.db2.gz XCQGVRYAIDESFD-IBGZPJMESA-N 1 0 342.395 2.610 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268129935 474814272 /nfs/dbraw/zinc/81/42/72/474814272.db2.gz PGIAYDKXCLOTKJ-OTYXRUKQSA-N 1 0 338.795 2.852 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCCCO ZINC000278758562 474817181 /nfs/dbraw/zinc/81/71/81/474817181.db2.gz BJCGOXOTYHORHQ-LLVKDONJSA-N 1 0 343.811 2.670 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255226227 474822133 /nfs/dbraw/zinc/82/21/33/474822133.db2.gz VCWICIADENYOSC-YDZSZYSISA-N 1 0 331.416 2.941 20 5 EFBDRO Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000310230436 474825865 /nfs/dbraw/zinc/82/58/65/474825865.db2.gz JIJUVYMCJBXGDT-AWEZNQCLSA-N 1 0 327.388 2.649 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255318247 474833612 /nfs/dbraw/zinc/83/36/12/474833612.db2.gz MSQCVSNMKSLRIV-IBCRXROYSA-N 1 0 329.400 2.551 20 5 EFBDRO CCOc1cc(CN2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000617210296 480128852 /nfs/dbraw/zinc/12/88/52/480128852.db2.gz ULSRZOICNRLEMM-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293144463 474837353 /nfs/dbraw/zinc/83/73/53/474837353.db2.gz NRLJIHLWTXCPPY-XJKSGUPXSA-N 1 0 335.404 2.669 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284956746 474842155 /nfs/dbraw/zinc/84/21/55/474842155.db2.gz XCMLLFVKGWYEBM-DLBZAZTESA-N 1 0 347.415 2.875 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000337267913 474843039 /nfs/dbraw/zinc/84/30/39/474843039.db2.gz WYBKLDXAIDRCEV-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293163851 474846962 /nfs/dbraw/zinc/84/69/62/474846962.db2.gz COKBSBROJVBACR-UONOGXRCSA-N 1 0 340.445 2.721 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992701 474855358 /nfs/dbraw/zinc/85/53/58/474855358.db2.gz JBBNVMNTJZCUIS-HIFRSBDPSA-N 1 0 336.388 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000313369782 474855702 /nfs/dbraw/zinc/85/57/02/474855702.db2.gz GMFIEWQSNAYMBL-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273370195 474863108 /nfs/dbraw/zinc/86/31/08/474863108.db2.gz BTENCJBXKFOXLQ-CVEARBPZSA-N 1 0 348.378 2.783 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293207073 474868759 /nfs/dbraw/zinc/86/87/59/474868759.db2.gz RBYCAWRUTIAYOO-SMDDNHRTSA-N 1 0 332.360 2.553 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292146367 474872460 /nfs/dbraw/zinc/87/24/60/474872460.db2.gz JRJNCJFZWKHJCV-SUMWQHHRSA-N 1 0 349.456 2.630 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054156 474876949 /nfs/dbraw/zinc/87/69/49/474876949.db2.gz IOICPUPBQJLQJC-OCCSQVGLSA-N 1 0 335.404 2.903 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255592183 474878881 /nfs/dbraw/zinc/87/88/81/474878881.db2.gz DKKXHPMITKMRNI-KQQSKNTNSA-N 1 0 331.416 2.702 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268241756 474883011 /nfs/dbraw/zinc/88/30/11/474883011.db2.gz VELVVWIBTZHOCX-MKBNYLNASA-N 1 0 349.456 2.674 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000278867939 474883363 /nfs/dbraw/zinc/88/33/63/474883363.db2.gz MUSVCZXHROPDCE-OLZOCXBDSA-N 1 0 335.379 2.741 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255625795 474884263 /nfs/dbraw/zinc/88/42/63/474884263.db2.gz RROREMJECCFTGA-CLOOOTJHSA-N 1 0 331.416 2.941 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422141 474889595 /nfs/dbraw/zinc/88/95/95/474889595.db2.gz JWJMSZHAFVXUQY-NVXWUHKLSA-N 1 0 348.378 2.783 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000318448313 474890747 /nfs/dbraw/zinc/89/07/47/474890747.db2.gz AKDMAEJJRYMEJT-AOOOYVTPSA-N 1 0 331.214 2.532 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339059667 474891098 /nfs/dbraw/zinc/89/10/98/474891098.db2.gz HKUTXLBMIVSNHV-UHFFFAOYSA-N 1 0 331.372 2.947 20 5 EFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337329558 474903161 /nfs/dbraw/zinc/90/31/61/474903161.db2.gz ZTIGKMUGEVGYHQ-UHFFFAOYSA-N 1 0 341.367 2.687 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448330 474903945 /nfs/dbraw/zinc/90/39/45/474903945.db2.gz XOFCCVYVLHTWDP-BBRMVZONSA-N 1 0 327.384 2.650 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292212194 474906448 /nfs/dbraw/zinc/90/64/48/474906448.db2.gz UDZVVZYIZOCOQS-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000268285176 474906435 /nfs/dbraw/zinc/90/64/35/474906435.db2.gz XYAIOKZBTPYHTO-YGRLFVJLSA-N 1 0 335.429 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000339083738 474912366 /nfs/dbraw/zinc/91/23/66/474912366.db2.gz LCCVCOXIKMQVBP-DUFXMDAXSA-N 1 0 330.306 2.816 20 5 EFBDRO CC1(C)CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273471179 474916035 /nfs/dbraw/zinc/91/60/35/474916035.db2.gz RYQWEYZAOHHJOY-LBPRGKRZSA-N 1 0 326.418 2.537 20 5 EFBDRO O=C(CC[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292239872 474919828 /nfs/dbraw/zinc/91/98/28/474919828.db2.gz WOLWWMXPWRNDFD-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO O=C(CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292239867 474920457 /nfs/dbraw/zinc/92/04/57/474920457.db2.gz WOLWWMXPWRNDFD-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000285195338 474924388 /nfs/dbraw/zinc/92/43/88/474924388.db2.gz NXMBNCOPDINVQY-NSHDSACASA-N 1 0 330.344 2.979 20 5 EFBDRO CC[C@@H]1CCCCN1C(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285213812 474931661 /nfs/dbraw/zinc/93/16/61/474931661.db2.gz DWZWADAJJSHDGP-MRXNPFEDSA-N 1 0 333.432 2.860 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000268365383 474942381 /nfs/dbraw/zinc/94/23/81/474942381.db2.gz LASSZIPNEBVBCX-BZNIZROVSA-N 1 0 330.388 2.535 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285250030 474944868 /nfs/dbraw/zinc/94/48/68/474944868.db2.gz HDHUIDQDBZSAON-HNNXBMFYSA-N 1 0 344.367 2.717 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341076166 474947216 /nfs/dbraw/zinc/94/72/16/474947216.db2.gz WPIWEYIRBWXKGG-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[N@H+](C)C1 ZINC000293371285 474949987 /nfs/dbraw/zinc/94/99/87/474949987.db2.gz PCNKOVBPRTTZBH-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000273549663 474958580 /nfs/dbraw/zinc/95/85/80/474958580.db2.gz VFVDPABRXALRPE-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000323978859 474958966 /nfs/dbraw/zinc/95/89/66/474958966.db2.gz DKCBBUOPGLZSJF-CQSZACIVSA-N 1 0 341.415 2.530 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345173297 474960816 /nfs/dbraw/zinc/96/08/16/474960816.db2.gz MQBBVPQYZUWNIL-UONOGXRCSA-N 1 0 348.447 2.652 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268427246 474972573 /nfs/dbraw/zinc/97/25/73/474972573.db2.gz XQFHZJHIFYPSSY-OAHLLOKOSA-N 1 0 347.459 2.967 20 5 EFBDRO Cc1c(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345805 474974232 /nfs/dbraw/zinc/97/42/32/474974232.db2.gz XETOKZJSHLQQNM-DYVFJYSZSA-N 1 0 327.384 2.650 20 5 EFBDRO Cc1c(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345809 474974777 /nfs/dbraw/zinc/97/47/77/474974777.db2.gz XETOKZJSHLQQNM-GUYCJALGSA-N 1 0 327.384 2.650 20 5 EFBDRO COc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000261548753 474982938 /nfs/dbraw/zinc/98/29/38/474982938.db2.gz DAQOWSOMLJPDDK-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc1 ZINC000273611795 474989883 /nfs/dbraw/zinc/98/98/83/474989883.db2.gz MEVPBNFINURJKB-UHFFFAOYSA-N 1 0 345.428 2.720 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261606691 474992579 /nfs/dbraw/zinc/99/25/79/474992579.db2.gz ACCGYUKEHGCUGQ-WDEREUQCSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292380781 474993875 /nfs/dbraw/zinc/99/38/75/474993875.db2.gz JRSDIJQUJBGNQG-UXEPBGEESA-N 1 0 348.424 2.982 20 5 EFBDRO COc1ccc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285375068 474994558 /nfs/dbraw/zinc/99/45/58/474994558.db2.gz RFLSQAMUGGPPFE-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO COc1ccc(NC(=O)C[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000292380590 474994795 /nfs/dbraw/zinc/99/47/95/474994795.db2.gz JOWNIZOFJPFEPI-UHFFFAOYSA-N 1 0 333.388 2.949 20 5 EFBDRO CCOC1CC2(C1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000285387355 475000135 /nfs/dbraw/zinc/00/01/35/475000135.db2.gz DBEKELKYIWKUEP-IMUUDWKMSA-N 1 0 347.415 2.813 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609310237 480142241 /nfs/dbraw/zinc/14/22/41/480142241.db2.gz YADWCLRRKQDCKM-GFCCVEGCSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000326376724 475003448 /nfs/dbraw/zinc/00/34/48/475003448.db2.gz KYHAKBHJBUHLIH-LLVKDONJSA-N 1 0 327.340 2.777 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268480690 475005020 /nfs/dbraw/zinc/00/50/20/475005020.db2.gz KTPFAKVCVKUHEX-UHFFFAOYSA-N 1 0 343.225 2.719 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000273676619 475008045 /nfs/dbraw/zinc/00/80/45/475008045.db2.gz YMIMJKRCIXWYLZ-UHFFFAOYSA-N 1 0 327.388 2.504 20 5 EFBDRO CNc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000326966123 475013662 /nfs/dbraw/zinc/01/36/62/475013662.db2.gz KHFMRDCNTKEZTR-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268498354 475015021 /nfs/dbraw/zinc/01/50/21/475015021.db2.gz RGZVWLFDKAHJFN-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273716072 475023429 /nfs/dbraw/zinc/02/34/29/475023429.db2.gz FYHPVPIARIFFFZ-MRXNPFEDSA-N 1 0 343.387 2.642 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337450235 475029939 /nfs/dbraw/zinc/02/99/39/475029939.db2.gz FFEKOGZITUAZNP-KGLIPLIRSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337450726 475031654 /nfs/dbraw/zinc/03/16/54/475031654.db2.gz FFEKOGZITUAZNP-ZIAGYGMSSA-N 1 0 335.404 2.549 20 5 EFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261711290 475034941 /nfs/dbraw/zinc/03/49/41/475034941.db2.gz KMLBNEOPYCJLIE-GOSISDBHSA-N 1 0 339.395 2.944 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000261728828 475042039 /nfs/dbraw/zinc/04/20/39/475042039.db2.gz RLJYGTVBRFUCOM-CYBMUJFWSA-N 1 0 341.396 2.898 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268838395 475046723 /nfs/dbraw/zinc/04/67/23/475046723.db2.gz NYTOZTZFVKSQOL-XJKSGUPXSA-N 1 0 347.415 2.692 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000261766402 475055652 /nfs/dbraw/zinc/05/56/52/475055652.db2.gz OMWSBXSSLKOSHL-LSDHHAIUSA-N 1 0 338.367 2.663 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261793499 475065084 /nfs/dbraw/zinc/06/50/84/475065084.db2.gz MDFHJJYXXSRNAZ-BZPMIXESSA-N 1 0 337.445 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281108718 475074246 /nfs/dbraw/zinc/07/42/46/475074246.db2.gz WPRRTVBCIWLQQW-GOSISDBHSA-N 1 0 343.383 2.660 20 5 EFBDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292555435 475086641 /nfs/dbraw/zinc/08/66/41/475086641.db2.gz JFEYSPWHSCIOFT-UHFFFAOYSA-N 1 0 339.411 2.979 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273886004 475101315 /nfs/dbraw/zinc/10/13/15/475101315.db2.gz UHWBXPLRBOIFFN-BZNIZROVSA-N 1 0 349.406 2.610 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997010 475119441 /nfs/dbraw/zinc/11/94/41/475119441.db2.gz IECIESUDJFTJQL-BVGQSLNGSA-N 1 0 329.444 2.988 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341533382 475119997 /nfs/dbraw/zinc/11/99/97/475119997.db2.gz PEJSMEDEYOSYEE-CYBMUJFWSA-N 1 0 334.420 2.760 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000609331103 480147346 /nfs/dbraw/zinc/14/73/46/480147346.db2.gz ALJOIQQWSKVSIT-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000261950867 475123862 /nfs/dbraw/zinc/12/38/62/475123862.db2.gz FXYSCUZGGREIHA-RYUDHWBXSA-N 1 0 332.429 2.901 20 5 EFBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1)C1CC1 ZINC000341537953 475124870 /nfs/dbraw/zinc/12/48/70/475124870.db2.gz WFSXHMAHMDXCIG-UHFFFAOYSA-N 1 0 328.372 2.812 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000269012503 475126848 /nfs/dbraw/zinc/12/68/48/475126848.db2.gz NGZYJWOVIQKIHN-DOMZBBRYSA-N 1 0 343.383 2.897 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN(CCCO)Cc1ccccc1 ZINC000269009977 475126889 /nfs/dbraw/zinc/12/68/89/475126889.db2.gz USDWKQAKGSAWAE-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO CSCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281243214 475133598 /nfs/dbraw/zinc/13/35/98/475133598.db2.gz DBGDNIQJNABGLZ-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000341549536 475134649 /nfs/dbraw/zinc/13/46/49/475134649.db2.gz POMXHKDZFYESSN-OAHLLOKOSA-N 1 0 334.420 2.616 20 5 EFBDRO CCNC(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000339321171 475137898 /nfs/dbraw/zinc/13/78/98/475137898.db2.gz ODUYOAKWWGOHPV-CYBMUJFWSA-N 1 0 347.337 2.864 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013508 475144863 /nfs/dbraw/zinc/14/48/63/475144863.db2.gz MMBAYLMIXNPGBR-KRWDZBQOSA-N 1 0 344.440 2.904 20 5 EFBDRO O=C(CC[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962365 475145426 /nfs/dbraw/zinc/14/54/26/475145426.db2.gz JFXUKZRTGMUIKH-MSOLQXFVSA-N 1 0 345.399 2.567 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)C23CCCC3)cccc1[N+](=O)[O-] ZINC000292680370 475147367 /nfs/dbraw/zinc/14/73/67/475147367.db2.gz JPLLSCWZYCYCNB-MRXNPFEDSA-N 1 0 347.415 2.611 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000273983286 475147804 /nfs/dbraw/zinc/14/78/04/475147804.db2.gz VIRFOGSPVWOPDE-GFCCVEGCSA-N 1 0 348.378 2.661 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[C@@H]21 ZINC000269056391 475152098 /nfs/dbraw/zinc/15/20/98/475152098.db2.gz SHURTDVXAPTXGO-SJCJKPOMSA-N 1 0 342.399 2.632 20 5 EFBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000287460766 475158851 /nfs/dbraw/zinc/15/88/51/475158851.db2.gz RGHPOZWUKQLLNS-SNVBAGLBSA-N 1 0 348.346 2.798 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287462365 475159199 /nfs/dbraw/zinc/15/91/99/475159199.db2.gz HBUJKTUNNJBDAE-IUODEOHRSA-N 1 0 348.403 2.694 20 5 EFBDRO COC1CC[NH+](C2(CNc3cccnc3[N+](=O)[O-])CCCC2)CC1 ZINC000609350863 480151034 /nfs/dbraw/zinc/15/10/34/480151034.db2.gz WWUFTZRZWMBTKF-UHFFFAOYSA-N 1 0 334.420 2.825 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)C1 ZINC000292749489 475181804 /nfs/dbraw/zinc/18/18/04/475181804.db2.gz JMHYEJIJRBZTQK-HNNXBMFYSA-N 1 0 333.417 2.522 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292761588 475187156 /nfs/dbraw/zinc/18/71/56/475187156.db2.gz RNDDNMFYUDWFOU-AWEZNQCLSA-N 1 0 337.420 2.600 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000339394994 475191977 /nfs/dbraw/zinc/19/19/77/475191977.db2.gz RVEBWHCBFSJZMC-AWEZNQCLSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000339396440 475194092 /nfs/dbraw/zinc/19/40/92/475194092.db2.gz UHNYHIUIDOOUGQ-ZDUSSCGKSA-N 1 0 342.359 2.876 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292785282 475195577 /nfs/dbraw/zinc/19/55/77/475195577.db2.gz HETIWOCYIOBBJG-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CC(C)C ZINC000345466994 475206485 /nfs/dbraw/zinc/20/64/85/475206485.db2.gz RBWQQBSHDLLKRH-ZDUSSCGKSA-N 1 0 336.436 2.663 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000296137946 475206917 /nfs/dbraw/zinc/20/69/17/475206917.db2.gz XALFEPDWEJFAAX-GOOCMWNKSA-N 1 0 346.431 2.770 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000296173784 475215539 /nfs/dbraw/zinc/21/55/39/475215539.db2.gz GBVZJTXFAVVQQG-NSHDSACASA-N 1 0 336.367 2.682 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCO[C@H]21 ZINC000296187935 475218766 /nfs/dbraw/zinc/21/87/66/475218766.db2.gz LOPSEVAFXCEBCT-NWANDNLSSA-N 1 0 344.371 2.548 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609382862 480154607 /nfs/dbraw/zinc/15/46/07/480154607.db2.gz FWSHGWDSMMFPCH-ZDUSSCGKSA-N 1 0 329.356 2.555 20 5 EFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354538655 475231844 /nfs/dbraw/zinc/23/18/44/475231844.db2.gz FMSDRHCTUITREH-HNNXBMFYSA-N 1 0 342.399 2.660 20 5 EFBDRO CNc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361161163 475233449 /nfs/dbraw/zinc/23/34/49/475233449.db2.gz GOVNMNXQYHVIPU-UGSOOPFHSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328748 475235825 /nfs/dbraw/zinc/23/58/25/475235825.db2.gz CEAZXIMBHLQMQR-CJNGLKHVSA-N 1 0 330.344 2.571 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000341707411 475239263 /nfs/dbraw/zinc/23/92/63/475239263.db2.gz VUYOTNXMCIFZGK-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO CC(=O)NC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347337145 475242756 /nfs/dbraw/zinc/24/27/56/475242756.db2.gz MCIIRPDZLGTNOS-ZGUWOUCSSA-N 1 0 331.416 2.846 20 5 EFBDRO CO[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000296268384 475246309 /nfs/dbraw/zinc/24/63/09/475246309.db2.gz YOWFPJWWUBQCPI-CQSZACIVSA-N 1 0 346.387 2.892 20 5 EFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000357904915 475249495 /nfs/dbraw/zinc/24/94/95/475249495.db2.gz BNQVIFRCBQOIQY-CABCVRRESA-N 1 0 336.436 2.851 20 5 EFBDRO CNc1c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361180710 475250005 /nfs/dbraw/zinc/25/00/05/475250005.db2.gz UETWBTDCTSYILC-HZSPNIEDSA-N 1 0 348.447 2.733 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262490817 475251556 /nfs/dbraw/zinc/25/15/56/475251556.db2.gz KZQZLVVELGIEGJ-CYBMUJFWSA-N 1 0 325.796 2.756 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000609386352 480155979 /nfs/dbraw/zinc/15/59/79/480155979.db2.gz QQEKOEFFWBMAII-CQSZACIVSA-N 1 0 345.403 2.607 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@H](C)F)CC2)ccc1[N+](=O)[O-] ZINC000352404649 475261938 /nfs/dbraw/zinc/26/19/38/475261938.db2.gz CWOPSHKILNLKOP-ZDUSSCGKSA-N 1 0 325.384 2.864 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000361197756 475262678 /nfs/dbraw/zinc/26/26/78/475262678.db2.gz AHRLJDBZJRTNTA-ZBFHGGJFSA-N 1 0 333.432 2.716 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000347360067 475264981 /nfs/dbraw/zinc/26/49/81/475264981.db2.gz NVBZVTHNOMILEK-KAMYIIQDSA-N 1 0 331.416 2.976 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000361202554 475266188 /nfs/dbraw/zinc/26/61/88/475266188.db2.gz QKDVYFVQTZPUCC-IAGOWNOFSA-N 1 0 347.459 2.964 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296326588 475269224 /nfs/dbraw/zinc/26/92/24/475269224.db2.gz QMDWWZYJYKRZRF-WMLDXEAASA-N 1 0 335.404 2.717 20 5 EFBDRO CNc1c(C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000361212307 475273803 /nfs/dbraw/zinc/27/38/03/475273803.db2.gz MQZCQIJUTDCGPW-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+](C)CCCO)CC1 ZINC000347373176 475274819 /nfs/dbraw/zinc/27/48/19/475274819.db2.gz WRUYAQFWAQFPDK-DTQAZKPQSA-N 1 0 347.459 2.777 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000347373910 475277513 /nfs/dbraw/zinc/27/75/13/475277513.db2.gz MOTIXMUZXLFLTK-WQMJKPAKSA-N 1 0 344.415 2.534 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296354952 475279715 /nfs/dbraw/zinc/27/97/15/475279715.db2.gz RWXBOLYBYVOUKR-XKQJLSEDSA-N 1 0 348.399 2.529 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000347378760 475280521 /nfs/dbraw/zinc/28/05/21/475280521.db2.gz FTJLIZYOQFCSDT-UHFFFAOYSA-N 1 0 325.384 2.973 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1nnc2n1CCC2 ZINC000347382368 475283297 /nfs/dbraw/zinc/28/32/97/475283297.db2.gz VFDKKSQGTJAYFF-SUIFULHWSA-N 1 0 327.388 2.887 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347383534 475284863 /nfs/dbraw/zinc/28/48/63/475284863.db2.gz OEPNZUGMPYVOPO-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347399958 475297049 /nfs/dbraw/zinc/29/70/49/475297049.db2.gz MSZMKBGMUFPJPC-CQSZACIVSA-N 1 0 343.431 2.884 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000347400755 475298036 /nfs/dbraw/zinc/29/80/36/475298036.db2.gz BCICBYCVJKTZQV-SNVBAGLBSA-N 1 0 343.225 2.591 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCO[C@@H]21 ZINC000296407651 475301651 /nfs/dbraw/zinc/30/16/51/475301651.db2.gz VBCNGFZUICSOFA-YUELXQCFSA-N 1 0 344.371 2.548 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC([NH+]4CCCC4)CC3)nc2c1 ZINC000361265075 475313253 /nfs/dbraw/zinc/31/32/53/475313253.db2.gz HOWMWLISMYRJRX-UHFFFAOYSA-N 1 0 329.404 2.531 20 5 EFBDRO CC1CC[NH+](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345658270 475343594 /nfs/dbraw/zinc/34/35/94/475343594.db2.gz OBCOHXUMMYJWBQ-KRWDZBQOSA-N 1 0 349.456 2.901 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296504703 475345955 /nfs/dbraw/zinc/34/59/55/475345955.db2.gz ZIEOBKUZROULPS-UHOFOFEASA-N 1 0 347.415 2.859 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339618720 475351612 /nfs/dbraw/zinc/35/16/12/475351612.db2.gz JAEQZAWFMISBKH-RWMBFGLXSA-N 1 0 345.403 2.730 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000358040658 475357967 /nfs/dbraw/zinc/35/79/67/475357967.db2.gz ZYAWJSZJWZMAGY-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO C[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)N1C ZINC000339625055 475359071 /nfs/dbraw/zinc/35/90/71/475359071.db2.gz WRMGIMZFBGPJLB-ZIAGYGMSSA-N 1 0 344.415 2.817 20 5 EFBDRO COC(=O)Cc1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000296559345 475370613 /nfs/dbraw/zinc/37/06/13/475370613.db2.gz PKFWAAZRRWLASW-UHFFFAOYSA-N 1 0 335.404 2.595 20 5 EFBDRO C[NH+]1CCC(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345693899 475371437 /nfs/dbraw/zinc/37/14/37/475371437.db2.gz YJPJMJUKQYZHSD-INIZCTEOSA-N 1 0 335.429 2.511 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352526216 475381539 /nfs/dbraw/zinc/38/15/39/475381539.db2.gz LNWUVKAGBOJLEN-INIZCTEOSA-N 1 0 341.358 2.772 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000296610432 475394156 /nfs/dbraw/zinc/39/41/56/475394156.db2.gz KAUBZFQQUXARTP-QWHCGFSZSA-N 1 0 332.404 2.605 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331732656 475397120 /nfs/dbraw/zinc/39/71/20/475397120.db2.gz QTSYPTGBFPJYQV-HOCLYGCPSA-N 1 0 331.416 2.990 20 5 EFBDRO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543420 475397499 /nfs/dbraw/zinc/39/74/99/475397499.db2.gz FEUJEFCCLSDXQR-SFHVURJKSA-N 1 0 341.411 2.899 20 5 EFBDRO COC(=O)c1oc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000352543507 475397781 /nfs/dbraw/zinc/39/77/81/475397781.db2.gz FZGGXHBKXBPKQC-UHFFFAOYSA-N 1 0 332.356 2.957 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000348123734 475408119 /nfs/dbraw/zinc/40/81/19/475408119.db2.gz KKUBUTHUAGLXJL-UHFFFAOYSA-N 1 0 328.372 2.841 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358109821 475408778 /nfs/dbraw/zinc/40/87/78/475408778.db2.gz QUQPNEIIKFASDN-CYBMUJFWSA-N 1 0 336.436 2.823 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)[N@H+]1C ZINC000296648286 475410243 /nfs/dbraw/zinc/41/02/43/475410243.db2.gz FBXGLVHABFQXFN-AOOOYVTPSA-N 1 0 326.784 2.805 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000348140343 475420881 /nfs/dbraw/zinc/42/08/81/475420881.db2.gz BBHVWTOZGYHIIU-MNOVXSKESA-N 1 0 341.795 2.591 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000296667429 475421235 /nfs/dbraw/zinc/42/12/35/475421235.db2.gz HCNAMLQSXKRIPJ-MRXNPFEDSA-N 1 0 336.367 2.602 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000348139154 475421416 /nfs/dbraw/zinc/42/14/16/475421416.db2.gz HOZCULHHCWKADO-KGLIPLIRSA-N 1 0 335.404 2.637 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000348141796 475422872 /nfs/dbraw/zinc/42/28/72/475422872.db2.gz MGTZIZLSXYBZKI-KBPBESRZSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC000348145954 475425936 /nfs/dbraw/zinc/42/59/36/475425936.db2.gz MKSWCRNCZZCGAH-DGCLKSJQSA-N 1 0 332.360 2.550 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000358132766 475427436 /nfs/dbraw/zinc/42/74/36/475427436.db2.gz OKPZLMQSXWENNU-LBPRGKRZSA-N 1 0 337.420 2.949 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000296685696 475429851 /nfs/dbraw/zinc/42/98/51/475429851.db2.gz JACPPDDIISDMGW-IAQYHMDHSA-N 1 0 336.367 2.600 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000296685702 475429969 /nfs/dbraw/zinc/42/99/69/475429969.db2.gz JACPPDDIISDMGW-XHDPSFHLSA-N 1 0 336.367 2.600 20 5 EFBDRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341942636 475435496 /nfs/dbraw/zinc/43/54/96/475435496.db2.gz ZZWKBELNGVWMAB-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000331871476 475440713 /nfs/dbraw/zinc/44/07/13/475440713.db2.gz OQYTXABQVVSSIV-KBMXLJTQSA-N 1 0 346.431 2.624 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331874261 475442122 /nfs/dbraw/zinc/44/21/22/475442122.db2.gz BWPFCIYXUMUBHR-KCQAQPDRSA-N 1 0 349.406 2.923 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331874264 475442713 /nfs/dbraw/zinc/44/27/13/475442713.db2.gz BWPFCIYXUMUBHR-VNHYZAJKSA-N 1 0 349.406 2.923 20 5 EFBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCC1 ZINC000339727822 475446444 /nfs/dbraw/zinc/44/64/44/475446444.db2.gz NYJGSKGFOOIUOH-MRXNPFEDSA-N 1 0 332.404 2.748 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC(C)(C)C1 ZINC000361468131 475472544 /nfs/dbraw/zinc/47/25/44/475472544.db2.gz FSKVGUFVSQVHHR-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000341980573 475472918 /nfs/dbraw/zinc/47/29/18/475472918.db2.gz AJJWGIWJNSXPRS-LJQANCHMSA-N 1 0 325.412 2.954 20 5 EFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296806024 475485369 /nfs/dbraw/zinc/48/53/69/475485369.db2.gz RBRORXWDBXFODK-NSHDSACASA-N 1 0 326.372 2.894 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352656510 475499065 /nfs/dbraw/zinc/49/90/65/475499065.db2.gz AXGLSRZATHUKFY-DDTOSNHZSA-N 1 0 332.360 2.551 20 5 EFBDRO Cc1c(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000358226183 475507463 /nfs/dbraw/zinc/50/74/63/475507463.db2.gz RMCKMXTVWYMUOK-UHFFFAOYSA-N 1 0 348.447 2.823 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352665538 475508365 /nfs/dbraw/zinc/50/83/65/475508365.db2.gz FKASFXZMRSCORJ-CMPLNLGQSA-N 1 0 346.330 2.550 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000296865095 475512479 /nfs/dbraw/zinc/51/24/79/475512479.db2.gz IJWRQEPGBGQVAA-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000338026628 475518783 /nfs/dbraw/zinc/51/87/83/475518783.db2.gz DUSLEUPRGORTOD-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000339838449 475546617 /nfs/dbraw/zinc/54/66/17/475546617.db2.gz GPZAXJJQIQBKEN-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332188240 475550850 /nfs/dbraw/zinc/55/08/50/475550850.db2.gz GAAPLYQHBJKZCT-UHFFFAOYSA-N 1 0 331.420 2.776 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000342127494 475561546 /nfs/dbraw/zinc/56/15/46/475561546.db2.gz KTRQIWCHEBYCCU-KBPBESRZSA-N 1 0 333.432 2.861 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000358305479 475576540 /nfs/dbraw/zinc/57/65/40/475576540.db2.gz MHZVXFFUOSRGKU-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000358327288 475593896 /nfs/dbraw/zinc/59/38/96/475593896.db2.gz FYGDVLFBXQWHMT-STQMWFEESA-N 1 0 337.395 2.656 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306596 475595904 /nfs/dbraw/zinc/59/59/04/475595904.db2.gz GWJPHCDGNOYKKM-CJNGLKHVSA-N 1 0 349.431 2.766 20 5 EFBDRO CC(C)c1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332320514 475600624 /nfs/dbraw/zinc/60/06/24/475600624.db2.gz RFLFLQZZCZOJGR-ZWKOTPCHSA-N 1 0 333.432 2.623 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000339903428 475603074 /nfs/dbraw/zinc/60/30/74/475603074.db2.gz SKZQONCCNNKBLQ-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000332366598 475614843 /nfs/dbraw/zinc/61/48/43/475614843.db2.gz XPVQHMDBUAMVME-UHFFFAOYSA-N 1 0 334.420 2.529 20 5 EFBDRO Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297125808 475622714 /nfs/dbraw/zinc/62/27/14/475622714.db2.gz MRVJLUAYLHHFSD-CQSZACIVSA-N 1 0 341.415 2.794 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000332391567 475623563 /nfs/dbraw/zinc/62/35/63/475623563.db2.gz VSBNDZUGFBDNGA-YOEHRIQHSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332394237 475624241 /nfs/dbraw/zinc/62/42/41/475624241.db2.gz NWMSVDZROBHDJZ-GJYPPUQNSA-N 1 0 346.475 2.614 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000361643903 475625558 /nfs/dbraw/zinc/62/55/58/475625558.db2.gz JIQTZVWTRRBRBI-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376052 475629901 /nfs/dbraw/zinc/62/99/01/475629901.db2.gz RKWORHSHJZGLHG-GXSJLCMTSA-N 1 0 336.310 2.957 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436324 475637899 /nfs/dbraw/zinc/63/78/99/475637899.db2.gz GVZNNYGFXJNPLU-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436326 475638187 /nfs/dbraw/zinc/63/81/87/475638187.db2.gz GVZNNYGFXJNPLU-JKIFEVAISA-N 1 0 346.431 2.924 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000352809093 475643603 /nfs/dbraw/zinc/64/36/03/475643603.db2.gz FKOBEIDRCGIOMH-UHFFFAOYSA-N 1 0 348.346 2.762 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358391752 475643728 /nfs/dbraw/zinc/64/37/28/475643728.db2.gz FOEIZXBQAQFSLP-CHWSQXEVSA-N 1 0 349.456 2.818 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332489679 475649481 /nfs/dbraw/zinc/64/94/81/475649481.db2.gz ACLHBTXOJCVKOZ-QZTJIDSGSA-N 1 0 333.432 2.623 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490487 475651461 /nfs/dbraw/zinc/65/14/61/475651461.db2.gz ONZGLPCBJWADQC-ZFWWWQNUSA-N 1 0 349.456 2.772 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[C@@H]21 ZINC000342895445 475653198 /nfs/dbraw/zinc/65/31/98/475653198.db2.gz CPBMPBGWFWMXRH-DOMZBBRYSA-N 1 0 342.399 2.632 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000297202008 475655443 /nfs/dbraw/zinc/65/54/43/475655443.db2.gz PLJXTZFQNYRNCG-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCC[C@H](C)C1 ZINC000342923724 475656042 /nfs/dbraw/zinc/65/60/42/475656042.db2.gz FYWRPMAKWNTMGR-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522385 475658074 /nfs/dbraw/zinc/65/80/74/475658074.db2.gz ZSWTUPUGADYXRC-JKIFEVAISA-N 1 0 346.431 2.924 20 5 EFBDRO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000332524402 475659236 /nfs/dbraw/zinc/65/92/36/475659236.db2.gz RBMSBONXKLFTSK-TZMCWYRMSA-N 1 0 337.395 2.801 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000332535435 475661712 /nfs/dbraw/zinc/66/17/12/475661712.db2.gz UYCJBRWZSSFSKG-UHFFFAOYSA-N 1 0 345.443 2.992 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332538229 475662325 /nfs/dbraw/zinc/66/23/25/475662325.db2.gz ZIBUQOODPBUEFX-HOCLYGCPSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332538230 475662466 /nfs/dbraw/zinc/66/24/66/475662466.db2.gz ZIBUQOODPBUEFX-ZBFHGGJFSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297259694 475680263 /nfs/dbraw/zinc/68/02/63/475680263.db2.gz VZMVNPYPQYRVLE-INIZCTEOSA-N 1 0 341.415 2.670 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596736 475680516 /nfs/dbraw/zinc/68/05/16/475680516.db2.gz MCABOYQHCNQTKP-YOEHRIQHSA-N 1 0 345.443 2.958 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338216063 475682351 /nfs/dbraw/zinc/68/23/51/475682351.db2.gz WZSUTKHIWZUQEZ-MAUKXSAKSA-N 1 0 345.443 2.907 20 5 EFBDRO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000338226388 475690237 /nfs/dbraw/zinc/69/02/37/475690237.db2.gz UXIOBGCKAIHFHH-IMJJTQAJSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccco1 ZINC000346610417 475698211 /nfs/dbraw/zinc/69/82/11/475698211.db2.gz YCJQHBHRYNLYPS-WFASDCNBSA-N 1 0 347.371 2.618 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000332655469 475704383 /nfs/dbraw/zinc/70/43/83/475704383.db2.gz VKLSFEZZDSUGEK-GJZGRUSLSA-N 1 0 346.431 2.725 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c1 ZINC000348519394 475720157 /nfs/dbraw/zinc/72/01/57/475720157.db2.gz CJTSKZGOZJPCQE-IAGOWNOFSA-N 1 0 330.388 2.519 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000348519395 475720426 /nfs/dbraw/zinc/72/04/26/475720426.db2.gz CJTSKZGOZJPCQE-IRXDYDNUSA-N 1 0 330.388 2.519 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522151 475721065 /nfs/dbraw/zinc/72/10/65/475721065.db2.gz VSSLIXVUNIYFQT-CMPLNLGQSA-N 1 0 334.294 2.992 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348521501 475721151 /nfs/dbraw/zinc/72/11/51/475721151.db2.gz QIIXKFLQXCINPG-XHVZSJERSA-N 1 0 343.330 2.672 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000343057427 475728797 /nfs/dbraw/zinc/72/87/97/475728797.db2.gz CQUCHHDWLOISDU-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000343061624 475732714 /nfs/dbraw/zinc/73/27/14/475732714.db2.gz HCZDVDLRMBHYMG-ZDUSSCGKSA-N 1 0 339.461 2.876 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348535223 475735112 /nfs/dbraw/zinc/73/51/12/475735112.db2.gz QMBIAGUGJAMPAR-DGCLKSJQSA-N 1 0 343.330 2.592 20 5 EFBDRO NC(=O)c1cccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000343068121 475737798 /nfs/dbraw/zinc/73/77/98/475737798.db2.gz OHULVKDMHGEBGZ-AWEZNQCLSA-N 1 0 346.431 2.903 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3OC(F)F)nc2c1 ZINC000348540236 475740109 /nfs/dbraw/zinc/74/01/09/475740109.db2.gz UYPDZYIIVKNBCV-JQWIXIFHSA-N 1 0 326.303 2.721 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000346661248 475741873 /nfs/dbraw/zinc/74/18/73/475741873.db2.gz UELULTCKUFIYKT-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000353172441 475742536 /nfs/dbraw/zinc/74/25/36/475742536.db2.gz LJERLYYGQRJMSA-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355210205 475747903 /nfs/dbraw/zinc/74/79/03/475747903.db2.gz ARDBJXYUKXVPGC-UHFFFAOYSA-N 1 0 348.399 2.913 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000353190914 475757113 /nfs/dbraw/zinc/75/71/13/475757113.db2.gz ITOPBXBNAUEKRH-ZDUSSCGKSA-N 1 0 336.388 2.815 20 5 EFBDRO CC(C)N1CC[NH+](C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000361798229 475763159 /nfs/dbraw/zinc/76/31/59/475763159.db2.gz MJEPQVQCEOZLPS-UHFFFAOYSA-N 1 0 332.448 2.590 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472578 475771474 /nfs/dbraw/zinc/77/14/74/475771474.db2.gz UVXKMGNOFIOTAK-KGLIPLIRSA-N 1 0 346.431 2.782 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358586865 475790393 /nfs/dbraw/zinc/79/03/93/475790393.db2.gz HJNKSJAYHYVOTC-CQSZACIVSA-N 1 0 348.447 2.823 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(N)c2ccccc2n1 ZINC000338345653 475809701 /nfs/dbraw/zinc/80/97/01/475809701.db2.gz FZWLIWJCJANTRJ-UHFFFAOYSA-N 1 0 337.383 2.625 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000338349140 475813625 /nfs/dbraw/zinc/81/36/25/475813625.db2.gz YPAZMVOCRMLISP-LLVKDONJSA-N 1 0 335.335 2.867 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340167355 475817981 /nfs/dbraw/zinc/81/79/81/475817981.db2.gz WSVSTBWCBNPGCT-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO COCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338362865 475828045 /nfs/dbraw/zinc/82/80/45/475828045.db2.gz PUSDFYBACXJXOP-MRXNPFEDSA-N 1 0 349.431 2.525 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000340177613 475828168 /nfs/dbraw/zinc/82/81/68/475828168.db2.gz AJPKJXGKBOEIDF-UHFFFAOYSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667677 475849750 /nfs/dbraw/zinc/84/97/50/475849750.db2.gz ZQIHCOJZHOACJH-IUODEOHRSA-N 1 0 327.388 2.768 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340210991 475861406 /nfs/dbraw/zinc/86/14/06/475861406.db2.gz OQDWHGBNAMAJCJ-UONOGXRCSA-N 1 0 348.321 2.751 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340211450 475861853 /nfs/dbraw/zinc/86/18/53/475861853.db2.gz XFHZZVLPUAKYDM-ZIAGYGMSSA-N 1 0 348.321 2.751 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805340 475874148 /nfs/dbraw/zinc/87/41/48/475874148.db2.gz IFTVPKSWGSCFBA-STQMWFEESA-N 1 0 326.418 2.521 20 5 EFBDRO [NH3+]CCN(Cc1cn2cc(Cl)ccc2n1)c1ccccc1[N+](=O)[O-] ZINC000348921834 475883411 /nfs/dbraw/zinc/88/34/11/475883411.db2.gz OWVBKEGDRDTACE-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000338418721 475886209 /nfs/dbraw/zinc/88/62/09/475886209.db2.gz GRGKCBSBSHXOOS-MRXNPFEDSA-N 1 0 349.431 2.744 20 5 EFBDRO C[NH+](C)CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000358731254 475889220 /nfs/dbraw/zinc/88/92/20/475889220.db2.gz GMIBMDJRESWTMB-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840690 475903244 /nfs/dbraw/zinc/90/32/44/475903244.db2.gz UXQMXWVLYYHUNU-HZPDHXFCSA-N 1 0 340.445 2.993 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855778 475915504 /nfs/dbraw/zinc/91/55/04/475915504.db2.gz VRTDCCONMPVWDE-CVEARBPZSA-N 1 0 345.399 2.793 20 5 EFBDRO CC(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000358765366 475918002 /nfs/dbraw/zinc/91/80/02/475918002.db2.gz XXOUAJCOMUWVJK-QGZVFWFLSA-N 1 0 348.447 2.862 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000355417577 475918787 /nfs/dbraw/zinc/91/87/87/475918787.db2.gz BXPSGKYNXOHSCD-ZGUWOUCSSA-N 1 0 331.416 2.846 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396499 475935798 /nfs/dbraw/zinc/93/57/98/475935798.db2.gz UBLAHAKZXZUDPS-CKEIUWERSA-N 1 0 344.415 2.822 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353397852 475936847 /nfs/dbraw/zinc/93/68/47/475936847.db2.gz YCVDQCDFHANCJD-LLVKDONJSA-N 1 0 327.340 2.777 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340316926 475939938 /nfs/dbraw/zinc/93/99/38/475939938.db2.gz OTXQLAVYTQHSCS-SNVBAGLBSA-N 1 0 345.321 2.780 20 5 EFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020426 475941943 /nfs/dbraw/zinc/94/19/43/475941943.db2.gz XKEDOZVSYHTZFR-HZPDHXFCSA-N 1 0 347.371 2.533 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(F)F)C(C)C ZINC000298019266 475955243 /nfs/dbraw/zinc/95/52/43/475955243.db2.gz ALVIXWXMKPNFCK-UHFFFAOYSA-N 1 0 345.346 2.908 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000358813941 475960982 /nfs/dbraw/zinc/96/09/82/475960982.db2.gz OFLCNRTYNVPQMA-MLGOLLRUSA-N 1 0 345.374 2.962 20 5 EFBDRO CC(C)[N@H+](C)CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443944 475972864 /nfs/dbraw/zinc/97/28/64/475972864.db2.gz FBOMHTNKTOLNNL-QGZVFWFLSA-N 1 0 345.447 2.738 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCC3CCOCC3)C2)nc1 ZINC000346941279 475977221 /nfs/dbraw/zinc/97/72/21/475977221.db2.gz RMKZJOYXLDSSED-OAHLLOKOSA-N 1 0 334.420 2.683 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000358881198 476009027 /nfs/dbraw/zinc/00/90/27/476009027.db2.gz NJCQUGLZUCGIAV-ZFWWWQNUSA-N 1 0 329.404 2.884 20 5 EFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343385983 476008984 /nfs/dbraw/zinc/00/89/84/476008984.db2.gz MBXDKJQLIMUKPK-TZMCWYRMSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000355531788 476010902 /nfs/dbraw/zinc/01/09/02/476010902.db2.gz KWVWGDQZIJTZOP-CYBMUJFWSA-N 1 0 325.368 2.615 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000338574759 476020494 /nfs/dbraw/zinc/02/04/94/476020494.db2.gz ZGBCRDHKOQSKJM-LBPRGKRZSA-N 1 0 337.420 2.700 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)c2ccccc2)c1 ZINC000340414644 476020726 /nfs/dbraw/zinc/02/07/26/476020726.db2.gz ILUFYGZCVTXFPG-IPMKNSEASA-N 1 0 342.395 2.814 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343399378 476025974 /nfs/dbraw/zinc/02/59/74/476025974.db2.gz VELRRAVSHXZSTF-PBHICJAKSA-N 1 0 329.356 2.618 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000358907909 476030327 /nfs/dbraw/zinc/03/03/27/476030327.db2.gz RXXFETMWNWUBLR-OAHLLOKOSA-N 1 0 346.431 2.719 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@@H](C)C1 ZINC000362152628 476034787 /nfs/dbraw/zinc/03/47/87/476034787.db2.gz WEQKHGLUJULTSO-HIFRSBDPSA-N 1 0 349.431 2.979 20 5 EFBDRO CCCC[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518599 476041189 /nfs/dbraw/zinc/04/11/89/476041189.db2.gz LTRHOJUPUUUGNC-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340450582 476041430 /nfs/dbraw/zinc/04/14/30/476041430.db2.gz UVLUYYMBLQCHJD-NEPJUHHUSA-N 1 0 344.371 2.763 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340448309 476041701 /nfs/dbraw/zinc/04/17/01/476041701.db2.gz KSHMFCQYSJNGPV-NEPJUHHUSA-N 1 0 344.371 2.763 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000347051235 476063679 /nfs/dbraw/zinc/06/36/79/476063679.db2.gz IQRKQKBUFDTASQ-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000343437764 476065981 /nfs/dbraw/zinc/06/59/81/476065981.db2.gz DKOJTZVVTXVKRC-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000353565297 476084152 /nfs/dbraw/zinc/08/41/52/476084152.db2.gz BDOIFPOERRQHGQ-HNNXBMFYSA-N 1 0 345.399 2.563 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000353565298 476084265 /nfs/dbraw/zinc/08/42/65/476084265.db2.gz BDOIFPOERRQHGQ-OAHLLOKOSA-N 1 0 345.399 2.563 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343640421 476095115 /nfs/dbraw/zinc/09/51/15/476095115.db2.gz MUUKXEJBWDNIPD-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000334043568 476097091 /nfs/dbraw/zinc/09/70/91/476097091.db2.gz JNLJIXJZEIRUTC-NWDGAFQWSA-N 1 0 338.383 2.976 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)CNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000340549681 476100896 /nfs/dbraw/zinc/10/08/96/476100896.db2.gz BFDBSHHPMGFRQQ-KSSFIOAISA-N 1 0 348.447 2.633 20 5 EFBDRO COc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334065087 476103211 /nfs/dbraw/zinc/10/32/11/476103211.db2.gz SOCVJWNJVULUGZ-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000298486866 476110809 /nfs/dbraw/zinc/11/08/09/476110809.db2.gz BHXBJNIAHWNXJM-UHFFFAOYSA-N 1 0 349.431 2.707 20 5 EFBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000350262100 476113193 /nfs/dbraw/zinc/11/31/93/476113193.db2.gz HHOIRBHTVIDIBO-KRWDZBQOSA-N 1 0 338.404 2.776 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298513756 476122591 /nfs/dbraw/zinc/12/25/91/476122591.db2.gz TZUAGHICDIOWRM-HIFRSBDPSA-N 1 0 335.429 2.673 20 5 EFBDRO CCc1nn(C)c(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000336695546 476125357 /nfs/dbraw/zinc/12/53/57/476125357.db2.gz IJBFLVFNLIUQHP-ZDUSSCGKSA-N 1 0 331.420 2.823 20 5 EFBDRO CN(C)c1cccnc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353633053 476140646 /nfs/dbraw/zinc/14/06/46/476140646.db2.gz VRXOPMJQQRLXPI-XJKSGUPXSA-N 1 0 344.419 2.526 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000343969946 476141562 /nfs/dbraw/zinc/14/15/62/476141562.db2.gz CVROEGGURLEHKE-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000343974252 476142777 /nfs/dbraw/zinc/14/27/77/476142777.db2.gz FUNOYRKSIQFONM-CSFVBSKPSA-N 1 0 331.416 2.892 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347182131 476153769 /nfs/dbraw/zinc/15/37/69/476153769.db2.gz WEKWMSQCGGEREI-NSHDSACASA-N 1 0 329.347 2.628 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051321 476189093 /nfs/dbraw/zinc/18/90/93/476189093.db2.gz MZLUGOBTLIHPSF-KBPBESRZSA-N 1 0 344.440 2.760 20 5 EFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000302531382 476196417 /nfs/dbraw/zinc/19/64/17/476196417.db2.gz LHTKOBPLXSEFHT-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000344261521 476196910 /nfs/dbraw/zinc/19/69/10/476196910.db2.gz MZTBUUSJTQNYON-UHFFFAOYSA-N 1 0 349.362 2.839 20 5 EFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000362365985 476198177 /nfs/dbraw/zinc/19/81/77/476198177.db2.gz REANJDQZDRHSSP-UHFFFAOYSA-N 1 0 342.374 2.892 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273673 476206657 /nfs/dbraw/zinc/20/66/57/476206657.db2.gz LUDVYGAIKJRKQS-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000340697211 476213551 /nfs/dbraw/zinc/21/35/51/476213551.db2.gz QBWREZPIOLSPDC-ZJUUUORDSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000362391960 476217725 /nfs/dbraw/zinc/21/77/25/476217725.db2.gz WOHMJCFEZUHQBS-SFHVURJKSA-N 1 0 331.416 2.996 20 5 EFBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000340730279 476236213 /nfs/dbraw/zinc/23/62/13/476236213.db2.gz BMIBOTKWVHKQIY-UHFFFAOYSA-N 1 0 348.322 2.681 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000359482135 476239151 /nfs/dbraw/zinc/23/91/51/476239151.db2.gz OYSFZPPCGOLJAN-SFHVURJKSA-N 1 0 327.384 2.644 20 5 EFBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000347297916 476240566 /nfs/dbraw/zinc/24/05/66/476240566.db2.gz IDJCJRIANXJUGB-NWDGAFQWSA-N 1 0 338.383 2.976 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000344316956 476245653 /nfs/dbraw/zinc/24/56/53/476245653.db2.gz KQKBRVMIGVVVEY-HZPDHXFCSA-N 1 0 336.338 2.922 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000353770051 476260282 /nfs/dbraw/zinc/26/02/82/476260282.db2.gz QYVKSVMYEMZUHY-UHFFFAOYSA-N 1 0 344.367 2.745 20 5 EFBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353773898 476264438 /nfs/dbraw/zinc/26/44/38/476264438.db2.gz GGIVYEBFNYWADR-KBPBESRZSA-N 1 0 336.388 2.815 20 5 EFBDRO Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340778534 476266773 /nfs/dbraw/zinc/26/67/73/476266773.db2.gz NSOBLNBYSHKPRT-SFHVURJKSA-N 1 0 340.383 2.558 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000357197276 476286049 /nfs/dbraw/zinc/28/60/49/476286049.db2.gz HXKUKJNDRRRRRM-AWEZNQCLSA-N 1 0 335.452 2.809 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000360077183 476290465 /nfs/dbraw/zinc/29/04/65/476290465.db2.gz BJDVSCXZZNALNW-GOEBONIOSA-N 1 0 343.431 2.518 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000357262629 476308115 /nfs/dbraw/zinc/30/81/15/476308115.db2.gz MJLQLYYJAVHABH-ZDUSSCGKSA-N 1 0 336.436 2.875 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000357342775 476339134 /nfs/dbraw/zinc/33/91/34/476339134.db2.gz NCIXAJRZPFBZHD-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO Cn1cc(C[NH2+]CC(C)(C)CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357348134 476340987 /nfs/dbraw/zinc/34/09/87/476340987.db2.gz WLAFYEOUECLTRL-UHFFFAOYSA-N 1 0 346.431 2.884 20 5 EFBDRO CCCN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976484 476344074 /nfs/dbraw/zinc/34/40/74/476344074.db2.gz XSVTXKYUSRHKFV-PMPSAXMXSA-N 1 0 335.452 2.739 20 5 EFBDRO COc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000357370297 476348000 /nfs/dbraw/zinc/34/80/00/476348000.db2.gz YHCHWBBUPHRYSN-UHFFFAOYSA-N 1 0 335.404 2.585 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354005846 476356538 /nfs/dbraw/zinc/35/65/38/476356538.db2.gz IQGJCRDPKWQOBR-STQMWFEESA-N 1 0 337.445 2.628 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357425419 476376209 /nfs/dbraw/zinc/37/62/09/476376209.db2.gz KUTOFNSDQPBYSV-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(O)C3)o2)c([N+](=O)[O-])c1 ZINC000354045077 476388550 /nfs/dbraw/zinc/38/85/50/476388550.db2.gz PMXNQAGQDFBSQB-KRWDZBQOSA-N 1 0 332.356 2.820 20 5 EFBDRO Cc1c(Cc2noc([C@@H]3CN(C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286871 476396951 /nfs/dbraw/zinc/39/69/51/476396951.db2.gz PGRAWTJOBRTSAE-HNNXBMFYSA-N 1 0 346.387 2.659 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377482499 476412418 /nfs/dbraw/zinc/41/24/18/476412418.db2.gz XKAKYICAZZDVPW-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO CSc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000360833413 476416494 /nfs/dbraw/zinc/41/64/94/476416494.db2.gz XZTAQBRWCNCENG-UHFFFAOYSA-N 1 0 344.396 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360836427 476416766 /nfs/dbraw/zinc/41/67/66/476416766.db2.gz SERCGIJPINLGCU-RYQLBKOJSA-N 1 0 348.443 2.683 20 5 EFBDRO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178301 476482975 /nfs/dbraw/zinc/48/29/75/476482975.db2.gz VMZRMJBKCIAGQE-SFHVURJKSA-N 1 0 349.431 2.530 20 5 EFBDRO Cc1cc(NCc2ncccc2N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357606907 476485990 /nfs/dbraw/zinc/48/59/90/476485990.db2.gz IBLKUPCXXMEUGE-UHFFFAOYSA-N 1 0 337.383 2.946 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000360944813 476492655 /nfs/dbraw/zinc/49/26/55/476492655.db2.gz PCMNZAKZDNOYCW-JOQOYGCGSA-N 1 0 345.443 2.762 20 5 EFBDRO O=C1O[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CC2 ZINC000369736086 476500191 /nfs/dbraw/zinc/50/01/91/476500191.db2.gz MHQJOCIKKQRFQI-MRXNPFEDSA-N 1 0 346.383 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000362957343 476502544 /nfs/dbraw/zinc/50/25/44/476502544.db2.gz HWESAXRABOGJDB-UHFFFAOYSA-N 1 0 330.384 2.858 20 5 EFBDRO Cc1noc(C2(C)CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000374755823 476516471 /nfs/dbraw/zinc/51/64/71/476516471.db2.gz UKOQNTMCPPCYDF-UHFFFAOYSA-N 1 0 346.387 2.719 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000360983812 476524354 /nfs/dbraw/zinc/52/43/54/476524354.db2.gz HIFUBXDOJNFEKI-UHFFFAOYSA-N 1 0 343.431 2.631 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354288001 476562339 /nfs/dbraw/zinc/56/23/39/476562339.db2.gz ASUJCSHGUDHYNU-LSDHHAIUSA-N 1 0 345.443 2.958 20 5 EFBDRO O=[N+]([O-])c1ccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000361053936 476569547 /nfs/dbraw/zinc/56/95/47/476569547.db2.gz SIMYOAZZWXIWKH-SFHVURJKSA-N 1 0 327.384 2.774 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374908528 476586107 /nfs/dbraw/zinc/58/61/07/476586107.db2.gz FGZUJEBNRHNQRY-SFHVURJKSA-N 1 0 346.358 2.706 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077871 476586331 /nfs/dbraw/zinc/58/63/31/476586331.db2.gz DFFLSKWATNQDNK-UVBJJODRSA-N 1 0 349.456 2.580 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077869 476586358 /nfs/dbraw/zinc/58/63/58/476586358.db2.gz DFFLSKWATNQDNK-IUIKQTSFSA-N 1 0 349.456 2.580 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374908526 476586393 /nfs/dbraw/zinc/58/63/93/476586393.db2.gz FGZUJEBNRHNQRY-GOSISDBHSA-N 1 0 346.358 2.706 20 5 EFBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1cccnc1 ZINC000361089937 476594298 /nfs/dbraw/zinc/59/42/98/476594298.db2.gz ZBMQEHPYHNQYEJ-GFCCVEGCSA-N 1 0 342.355 2.639 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000357777022 476595872 /nfs/dbraw/zinc/59/58/72/476595872.db2.gz XVNZZOMCNGMQCZ-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO C[N@@H+]1CCCC12CCN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000374990177 476624969 /nfs/dbraw/zinc/62/49/69/476624969.db2.gz RZSXHNXBHDEYBJ-UHFFFAOYSA-N 1 0 347.415 2.522 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361136584 476627757 /nfs/dbraw/zinc/62/77/57/476627757.db2.gz QXKGSBAPNBYMDO-CYBMUJFWSA-N 1 0 342.399 2.866 20 5 EFBDRO CNc1c(C(=O)NCCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000361140771 476631932 /nfs/dbraw/zinc/63/19/32/476631932.db2.gz HRBIMINAMIASCS-UHFFFAOYSA-N 1 0 334.420 2.632 20 5 EFBDRO CNc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361144940 476633816 /nfs/dbraw/zinc/63/38/16/476633816.db2.gz MJLBFHSCHVJBPX-STQMWFEESA-N 1 0 334.420 2.629 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010966 476634763 /nfs/dbraw/zinc/63/47/63/476634763.db2.gz DDMPQMMGRIHSJY-RLFYNMQTSA-N 1 0 334.416 2.767 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000357835760 476638911 /nfs/dbraw/zinc/63/89/11/476638911.db2.gz UJJIJPAOCGNCDS-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365618274 476648888 /nfs/dbraw/zinc/64/88/88/476648888.db2.gz ABKGLHXELMOCQP-CYBMUJFWSA-N 1 0 330.388 2.717 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622366 476651682 /nfs/dbraw/zinc/65/16/82/476651682.db2.gz FKGKTHVSOJBASP-OAHLLOKOSA-N 1 0 344.415 2.977 20 5 EFBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363328353 476653755 /nfs/dbraw/zinc/65/37/55/476653755.db2.gz HOTVJHJLBKRZSQ-AWEZNQCLSA-N 1 0 329.356 2.582 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363328245 476654040 /nfs/dbraw/zinc/65/40/40/476654040.db2.gz DXXFSGHFUMXUFM-NEPJUHHUSA-N 1 0 338.795 2.997 20 5 EFBDRO C[NH+](C)[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccco1 ZINC000352351130 476655470 /nfs/dbraw/zinc/65/54/70/476655470.db2.gz SZSAKIYXYXQOTN-OAHLLOKOSA-N 1 0 326.356 2.873 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000354437630 476662126 /nfs/dbraw/zinc/66/21/26/476662126.db2.gz FTHXNGKTDDITOC-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000354440551 476663220 /nfs/dbraw/zinc/66/32/20/476663220.db2.gz RUWXCDPOWPZGOT-OAHLLOKOSA-N 1 0 333.432 2.982 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000375105711 476677637 /nfs/dbraw/zinc/67/76/37/476677637.db2.gz OVRCWJYCXRUUOE-AWEZNQCLSA-N 1 0 335.404 2.672 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370161602 476681548 /nfs/dbraw/zinc/68/15/48/476681548.db2.gz LAXAEGXLWSFGHY-GFCCVEGCSA-N 1 0 345.424 2.892 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365736738 476683079 /nfs/dbraw/zinc/68/30/79/476683079.db2.gz UPPHLHLHTCAKDV-ZFWWWQNUSA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC23CC[NH+](C)CC3)c1F ZINC000375154749 476691527 /nfs/dbraw/zinc/69/15/27/476691527.db2.gz XNZXNIMCINCCTN-UHFFFAOYSA-N 1 0 335.379 2.743 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370201892 476695156 /nfs/dbraw/zinc/69/51/56/476695156.db2.gz PWDDCKDKSRWLEZ-HNNXBMFYSA-N 1 0 333.432 2.911 20 5 EFBDRO CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429830125 476698997 /nfs/dbraw/zinc/69/89/97/476698997.db2.gz WLXJPROFJWXCPV-UHFFFAOYSA-N 1 0 331.416 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000365798488 476705633 /nfs/dbraw/zinc/70/56/33/476705633.db2.gz VIHRZKBSAIUYNH-CYBMUJFWSA-N 1 0 335.360 2.752 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365830410 476720909 /nfs/dbraw/zinc/72/09/09/476720909.db2.gz GLMOMKOWEAFPLP-IBGZPJMESA-N 1 0 342.395 2.739 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365830411 476721783 /nfs/dbraw/zinc/72/17/83/476721783.db2.gz GLMOMKOWEAFPLP-LJQANCHMSA-N 1 0 342.395 2.739 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429946701 476722049 /nfs/dbraw/zinc/72/20/49/476722049.db2.gz RDVBETSTGWHOLX-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO C[C@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242494 476733364 /nfs/dbraw/zinc/73/33/64/476733364.db2.gz ONNZAEVWIMIYMO-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@H]1[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375243108 476735385 /nfs/dbraw/zinc/73/53/85/476735385.db2.gz ULORRTDZBKZCOE-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452012313 476775043 /nfs/dbraw/zinc/77/50/43/476775043.db2.gz LWDIMFAKZVCAFU-KBPBESRZSA-N 1 0 334.420 2.700 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452023499 476779411 /nfs/dbraw/zinc/77/94/11/476779411.db2.gz XXLOBBCCKKWYDW-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000422807775 476786627 /nfs/dbraw/zinc/78/66/27/476786627.db2.gz PMVYLRJZIKEUCZ-HNNXBMFYSA-N 1 0 327.384 2.950 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000452038806 476787907 /nfs/dbraw/zinc/78/79/07/476787907.db2.gz YLMFXBWKDGKXCI-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO C[NH2+]C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422828169 476796702 /nfs/dbraw/zinc/79/67/02/476796702.db2.gz TWDXXMMEZIYMOM-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000422844939 476805870 /nfs/dbraw/zinc/80/58/70/476805870.db2.gz NFKLRYFMWCRIBK-NEPJUHHUSA-N 1 0 337.445 2.906 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375387586 476809429 /nfs/dbraw/zinc/80/94/29/476809429.db2.gz OHAVOGZZYCNAGB-QGZVFWFLSA-N 1 0 330.388 2.539 20 5 EFBDRO CC1(C)CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000446071111 476820339 /nfs/dbraw/zinc/82/03/39/476820339.db2.gz ONLPESMNBCESMR-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000392540877 476825437 /nfs/dbraw/zinc/82/54/37/476825437.db2.gz TZHXCNKLIPVROD-INIZCTEOSA-N 1 0 330.384 2.741 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457038749 476841837 /nfs/dbraw/zinc/84/18/37/476841837.db2.gz DASKIOGYMGNYPS-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457048855 476845916 /nfs/dbraw/zinc/84/59/16/476845916.db2.gz DSJJMFFOLIRJHJ-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541202 476849936 /nfs/dbraw/zinc/84/99/36/476849936.db2.gz AYFJMAARHZBFSH-CZUORRHYSA-N 1 0 344.415 2.852 20 5 EFBDRO C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541196 476851031 /nfs/dbraw/zinc/85/10/31/476851031.db2.gz AYFJMAARHZBFSH-BBRMVZONSA-N 1 0 344.415 2.852 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000414063196 476859485 /nfs/dbraw/zinc/85/94/85/476859485.db2.gz CNBSYONCNVPYOM-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000457074034 476860649 /nfs/dbraw/zinc/86/06/49/476860649.db2.gz KRYRRRXUUXAMER-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000457080900 476863469 /nfs/dbraw/zinc/86/34/69/476863469.db2.gz CPWVNQOJUHNGKJ-NSHDSACASA-N 1 0 325.796 2.803 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000414079610 476868262 /nfs/dbraw/zinc/86/82/62/476868262.db2.gz SCSVLKVYJXPIJR-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000457089287 476869348 /nfs/dbraw/zinc/86/93/48/476869348.db2.gz SYHJFAHHJRGNNH-OAHLLOKOSA-N 1 0 346.431 2.724 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000457091507 476869716 /nfs/dbraw/zinc/86/97/16/476869716.db2.gz WEWHOPCMDBETLU-ZDUSSCGKSA-N 1 0 337.445 2.628 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000457091505 476869876 /nfs/dbraw/zinc/86/98/76/476869876.db2.gz WEWHOPCMDBETLU-CYBMUJFWSA-N 1 0 337.445 2.628 20 5 EFBDRO CSc1cccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000452177184 476870359 /nfs/dbraw/zinc/87/03/59/476870359.db2.gz WVGIIKATFVYXBB-GFCCVEGCSA-N 1 0 349.456 2.873 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000457125266 476889057 /nfs/dbraw/zinc/88/90/57/476889057.db2.gz QJVFFEDHZRHXDJ-ZDUSSCGKSA-N 1 0 330.388 2.631 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000370623191 476900759 /nfs/dbraw/zinc/90/07/59/476900759.db2.gz WFBFMCPEDRLBPP-OAHLLOKOSA-N 1 0 344.415 2.792 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414961376 476903507 /nfs/dbraw/zinc/90/35/07/476903507.db2.gz ZAILFKWJMDUMHP-NSHDSACASA-N 1 0 346.334 2.691 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414960619 476903585 /nfs/dbraw/zinc/90/35/85/476903585.db2.gz UEPCGHXIDUICNE-SFHVURJKSA-N 1 0 341.411 2.970 20 5 EFBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414962220 476904367 /nfs/dbraw/zinc/90/43/67/476904367.db2.gz SISQMEMYLIMJAW-GFCCVEGCSA-N 1 0 333.388 2.951 20 5 EFBDRO CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423059740 476909385 /nfs/dbraw/zinc/90/93/85/476909385.db2.gz MWYIHSZIYMFGEW-KRWDZBQOSA-N 1 0 341.411 2.980 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404347086 476915307 /nfs/dbraw/zinc/91/53/07/476915307.db2.gz HJJQYXOVOBREDZ-HZMBPMFUSA-N 1 0 325.796 2.838 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000430813488 476920810 /nfs/dbraw/zinc/92/08/10/476920810.db2.gz FAFIMXGJLADPMB-YOEHRIQHSA-N 1 0 348.447 2.929 20 5 EFBDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000415422526 476923487 /nfs/dbraw/zinc/92/34/87/476923487.db2.gz WUAYQAYGHLEUEF-JKSUJKDBSA-N 1 0 340.383 2.780 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415429082 476925236 /nfs/dbraw/zinc/92/52/36/476925236.db2.gz ATEXJCALOSPEMP-IUCAKERBSA-N 1 0 346.309 2.863 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-n4ccnc4)cc3)nc2c1 ZINC000446850224 476927312 /nfs/dbraw/zinc/92/73/12/476927312.db2.gz WZTXUJHKRQCGGL-UHFFFAOYSA-N 1 0 348.366 2.947 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000415508731 476933517 /nfs/dbraw/zinc/93/35/17/476933517.db2.gz VOISKZBRHLYUOQ-QGZVFWFLSA-N 1 0 340.383 2.912 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446914664 476934543 /nfs/dbraw/zinc/93/45/43/476934543.db2.gz OVJLVZPMTPLWTP-UHFFFAOYSA-N 1 0 345.424 2.916 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415662297 476949866 /nfs/dbraw/zinc/94/98/66/476949866.db2.gz RHFIQSMRHXGJLO-YPMHNXCESA-N 1 0 336.392 2.585 20 5 EFBDRO CCC([NH3+])(CC)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423293991 476984948 /nfs/dbraw/zinc/98/49/48/476984948.db2.gz SULLRNMGAQYZNO-HNNXBMFYSA-N 1 0 331.420 2.525 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000457368467 476991659 /nfs/dbraw/zinc/99/16/59/476991659.db2.gz ZFODQYZXUTUIHN-GFCCVEGCSA-N 1 0 337.445 2.906 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457370215 476992526 /nfs/dbraw/zinc/99/25/26/476992526.db2.gz IFWMTEBFUAQZPR-CHWSQXEVSA-N 1 0 349.456 2.777 20 5 EFBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447510409 477000121 /nfs/dbraw/zinc/00/01/21/477000121.db2.gz YUDMMSHHXMHZKJ-CABCVRRESA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1cc(C)n(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447510600 477000499 /nfs/dbraw/zinc/00/04/99/477000499.db2.gz IWVGWLINBXISKI-HOTGVXAUSA-N 1 0 346.435 2.768 20 5 EFBDRO Cc1cnccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583791 477017767 /nfs/dbraw/zinc/01/77/67/477017767.db2.gz CILHLBNYWJKZGX-JKSUJKDBSA-N 1 0 329.404 2.811 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423400849 477019705 /nfs/dbraw/zinc/01/97/05/477019705.db2.gz XHUZZAVPASUGTQ-CJNGLKHVSA-N 1 0 348.447 2.680 20 5 EFBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416104921 477021989 /nfs/dbraw/zinc/02/19/89/477021989.db2.gz KCWGGMGMMRCNPN-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO COC[C@]1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411868 477024397 /nfs/dbraw/zinc/02/43/97/477024397.db2.gz GMMLXVPEJDFSMF-SJLPKXTDSA-N 1 0 333.432 2.675 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423439867 477033003 /nfs/dbraw/zinc/03/30/03/477033003.db2.gz IHSVCLQDFNLBOA-CQSZACIVSA-N 1 0 347.415 2.598 20 5 EFBDRO CCC[NH2+]CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423461267 477038178 /nfs/dbraw/zinc/03/81/78/477038178.db2.gz NUGQMJWXPYENJW-UHFFFAOYSA-N 1 0 341.386 2.550 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C1CC1)[NH+](C)C ZINC000447815567 477064856 /nfs/dbraw/zinc/06/48/56/477064856.db2.gz GKELLAFLXSLFSM-CYBMUJFWSA-N 1 0 341.795 2.787 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C1CC1)[NH+](C)C ZINC000447815568 477065115 /nfs/dbraw/zinc/06/51/15/477065115.db2.gz GKELLAFLXSLFSM-ZDUSSCGKSA-N 1 0 341.795 2.787 20 5 EFBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000375892895 477066202 /nfs/dbraw/zinc/06/62/02/477066202.db2.gz RFSDCXNIFFJLGP-RDJZCZTQSA-N 1 0 343.358 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000370990409 477071021 /nfs/dbraw/zinc/07/10/21/477071021.db2.gz DAQJYZYGXQGUGS-ZIAGYGMSSA-N 1 0 344.371 2.503 20 5 EFBDRO C[C@@H]1[NH2+]CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000423614955 477087108 /nfs/dbraw/zinc/08/71/08/477087108.db2.gz QRJBSRXIOBWRAZ-UWVGGRQHSA-N 1 0 343.836 2.549 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1O ZINC000447902087 477087349 /nfs/dbraw/zinc/08/73/49/477087349.db2.gz JANZMKWJVDPYGQ-INIZCTEOSA-N 1 0 337.420 2.519 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423619898 477089696 /nfs/dbraw/zinc/08/96/96/477089696.db2.gz WDBQUMMDIOUZAO-OAHLLOKOSA-N 1 0 342.399 2.651 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000431783395 477095330 /nfs/dbraw/zinc/09/53/30/477095330.db2.gz SLZQWNIPWDTGQZ-CVEARBPZSA-N 1 0 346.431 2.756 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000411043709 477096589 /nfs/dbraw/zinc/09/65/89/477096589.db2.gz HLCXPHASYIJXJY-UHFFFAOYSA-N 1 0 337.420 2.844 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000366612334 477097003 /nfs/dbraw/zinc/09/70/03/477097003.db2.gz YTTAPDACHSYYFP-BBRMVZONSA-N 1 0 330.388 2.883 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423650040 477099597 /nfs/dbraw/zinc/09/95/97/477099597.db2.gz JNYVWBQPIJWUPG-JKSUJKDBSA-N 1 0 331.416 2.836 20 5 EFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000457596920 477101938 /nfs/dbraw/zinc/10/19/38/477101938.db2.gz QXYSCPFDBZRSRD-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000423670521 477105072 /nfs/dbraw/zinc/10/50/72/477105072.db2.gz ZRWRDBTUVHGNMH-JOCQHMNTSA-N 1 0 342.399 2.638 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423676316 477106193 /nfs/dbraw/zinc/10/61/93/477106193.db2.gz FYHHITYTPTZUKZ-VIFPVBQESA-N 1 0 331.825 2.584 20 5 EFBDRO O=C(N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C12CCC[NH+]1CCC2 ZINC000452855766 477109408 /nfs/dbraw/zinc/10/94/08/477109408.db2.gz PPOKXJUOVKWUAI-INIZCTEOSA-N 1 0 343.427 2.929 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000423700128 477114962 /nfs/dbraw/zinc/11/49/62/477114962.db2.gz SSOOLSLQYQSBPX-LLVKDONJSA-N 1 0 325.434 2.954 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416308878 477118809 /nfs/dbraw/zinc/11/88/09/477118809.db2.gz SEQODFWNIIVDRG-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO CN1Cc2ccccc2[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000371090241 477119238 /nfs/dbraw/zinc/11/92/38/477119238.db2.gz UMHYSPYWOSBHMU-SXSDINLZSA-N 1 0 337.379 2.911 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717703 477121510 /nfs/dbraw/zinc/12/15/10/477121510.db2.gz AYULPWXYINLUOA-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000432146505 477167819 /nfs/dbraw/zinc/16/78/19/477167819.db2.gz BWNFDBJEYHQULT-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833292 477173838 /nfs/dbraw/zinc/17/38/38/477173838.db2.gz BHACXJZVFZKPRD-IUODEOHRSA-N 1 0 325.796 2.772 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411290565 477184074 /nfs/dbraw/zinc/18/40/74/477184074.db2.gz JADOPBLZKSZSDT-CVEARBPZSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453238099 477195845 /nfs/dbraw/zinc/19/58/45/477195845.db2.gz NJXPZYXOWCELFH-GXFFZTMASA-N 1 0 343.387 2.668 20 5 EFBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453238100 477196393 /nfs/dbraw/zinc/19/63/93/477196393.db2.gz NJXPZYXOWCELFH-MFKMUULPSA-N 1 0 343.387 2.668 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCN2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266283 477204114 /nfs/dbraw/zinc/20/41/14/477204114.db2.gz OGDBEPMJYIWNLF-YJBOKZPZSA-N 1 0 347.459 2.754 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCN2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266281 477204663 /nfs/dbraw/zinc/20/46/63/477204663.db2.gz OGDBEPMJYIWNLF-MAUKXSAKSA-N 1 0 347.459 2.754 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411387976 477214047 /nfs/dbraw/zinc/21/40/47/477214047.db2.gz SNMSYPMVZZHOCQ-ZDUSSCGKSA-N 1 0 347.415 2.596 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453360411 477214666 /nfs/dbraw/zinc/21/46/66/477214666.db2.gz KLLIETGFVAVZTL-RDTXWAMCSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453384088 477219428 /nfs/dbraw/zinc/21/94/28/477219428.db2.gz CLAQHJGMEKRJJC-JGGQBBKZSA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453384024 477219957 /nfs/dbraw/zinc/21/99/57/477219957.db2.gz TUAOSJGWACWYNS-KBXCAEBGSA-N 1 0 347.415 2.814 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000457843628 477227246 /nfs/dbraw/zinc/22/72/46/477227246.db2.gz BKJRACINQLKBJE-CJNGLKHVSA-N 1 0 334.420 2.780 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423947717 477229304 /nfs/dbraw/zinc/22/93/04/477229304.db2.gz DYCCVXITFJWMAF-ZDUSSCGKSA-N 1 0 348.428 2.822 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453435941 477232257 /nfs/dbraw/zinc/23/22/57/477232257.db2.gz ULXIRNZFEXMXMI-LRDDRELGSA-N 1 0 337.445 2.724 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000423986082 477247177 /nfs/dbraw/zinc/24/71/77/477247177.db2.gz VOXXCRNLDNXDGU-MRXNPFEDSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453608745 477249811 /nfs/dbraw/zinc/24/98/11/477249811.db2.gz AZMFUSIDIWMRHA-ZBFHGGJFSA-N 1 0 331.416 2.961 20 5 EFBDRO CCC(C)(C)OCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000453607859 477250363 /nfs/dbraw/zinc/25/03/63/477250363.db2.gz BUSJACBFKGNVJS-UHFFFAOYSA-N 1 0 326.393 2.907 20 5 EFBDRO CON1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000453612314 477251561 /nfs/dbraw/zinc/25/15/61/477251561.db2.gz AWZWAYLQDXZQPO-UHFFFAOYSA-N 1 0 345.346 2.654 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424005700 477256688 /nfs/dbraw/zinc/25/66/88/477256688.db2.gz SXUSJXYSCDOASL-NWDGAFQWSA-N 1 0 337.445 2.764 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C[NH3+] ZINC000424010816 477259512 /nfs/dbraw/zinc/25/95/12/477259512.db2.gz ISIWKWPLBDXWPI-PWSUYJOCSA-N 1 0 333.413 2.866 20 5 EFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCCO1 ZINC000424029986 477265173 /nfs/dbraw/zinc/26/51/73/477265173.db2.gz YKLVYKBGEHSTBZ-HNNXBMFYSA-N 1 0 335.407 2.578 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000424038128 477269261 /nfs/dbraw/zinc/26/92/61/477269261.db2.gz HXUAVLPSMPLRDL-OAHLLOKOSA-N 1 0 335.379 2.584 20 5 EFBDRO Cc1c(CC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000424047141 477273644 /nfs/dbraw/zinc/27/36/44/477273644.db2.gz WOKHJEFUOYGXDN-SFHVURJKSA-N 1 0 345.443 2.682 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424052253 477274749 /nfs/dbraw/zinc/27/47/49/477274749.db2.gz MBKHDYDTUGZTSV-VWYCJHECSA-N 1 0 325.796 2.694 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424050364 477274946 /nfs/dbraw/zinc/27/49/46/477274946.db2.gz CQENNHMNEKTNSP-UPJWGTAASA-N 1 0 337.445 2.519 20 5 EFBDRO CCn1cccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1=O ZINC000432847569 477277478 /nfs/dbraw/zinc/27/74/78/477277478.db2.gz OZVQQLGKONTVQW-UHFFFAOYSA-N 1 0 338.367 2.667 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000411576359 477281496 /nfs/dbraw/zinc/28/14/96/477281496.db2.gz YTJKSBZZQVSWPX-SWLSCSKDSA-N 1 0 333.388 2.806 20 5 EFBDRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000432925336 477285431 /nfs/dbraw/zinc/28/54/31/477285431.db2.gz BZWKTLMHEWIONI-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411604457 477290728 /nfs/dbraw/zinc/29/07/28/477290728.db2.gz NWEDQAKBLCGCNU-IDCJVQTKSA-N 1 0 345.443 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)C34CCCC4)n2)cc1 ZINC000433015559 477298406 /nfs/dbraw/zinc/29/84/06/477298406.db2.gz XSUFOBKDDDOIMK-AWEZNQCLSA-N 1 0 344.371 2.524 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458167276 477298601 /nfs/dbraw/zinc/29/86/01/477298601.db2.gz MLESRHAYWHZHNB-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000367032465 477307466 /nfs/dbraw/zinc/30/74/66/477307466.db2.gz ZGVKTGPHAHRWEQ-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO C[N@H+](CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454644149 477308588 /nfs/dbraw/zinc/30/85/88/477308588.db2.gz OBTULCWJHPCKGL-HNNXBMFYSA-N 1 0 346.431 2.578 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433228539 477318654 /nfs/dbraw/zinc/31/86/54/477318654.db2.gz BBIIYXMHAZECQQ-CRAIPNDOSA-N 1 0 345.443 2.770 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376409741 477321859 /nfs/dbraw/zinc/32/18/59/477321859.db2.gz UDJWJXCPOSUUJU-UKRRQHHQSA-N 1 0 347.415 2.610 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000376446138 477338705 /nfs/dbraw/zinc/33/87/05/477338705.db2.gz FJBUQZRCDIVYKY-NHYWBVRUSA-N 1 0 337.807 2.947 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000367128321 477355710 /nfs/dbraw/zinc/35/57/10/477355710.db2.gz ZJFMJMDYTAKVDK-CJNGLKHVSA-N 1 0 347.415 2.550 20 5 EFBDRO COc1nc(C)cc(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376506177 477370062 /nfs/dbraw/zinc/37/00/62/477370062.db2.gz JZJYTCBGFIEHBP-UHFFFAOYSA-N 1 0 345.403 2.649 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367174363 477376815 /nfs/dbraw/zinc/37/68/15/477376815.db2.gz UWPOQBREKBHULE-INIZCTEOSA-N 1 0 326.400 2.888 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376520585 477379602 /nfs/dbraw/zinc/37/96/02/477379602.db2.gz OKBATUMKNCYBMV-BLLLJJGKSA-N 1 0 330.388 2.512 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376565469 477406470 /nfs/dbraw/zinc/40/64/70/477406470.db2.gz IJZMDQJTXRYDLX-RMKNXTFCSA-N 1 0 329.400 2.741 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412342913 477417230 /nfs/dbraw/zinc/41/72/30/477417230.db2.gz HLURNBLRDAARTB-YESZJQIVSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[NH+](C)C ZINC000436107345 477422148 /nfs/dbraw/zinc/42/21/48/477422148.db2.gz HLPHVQJSCRNJSU-LLVKDONJSA-N 1 0 341.386 2.500 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1F ZINC000449086102 477430598 /nfs/dbraw/zinc/43/05/98/477430598.db2.gz QNLSCSFFJFRXBL-CYBMUJFWSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1 ZINC000449097712 477438433 /nfs/dbraw/zinc/43/84/33/477438433.db2.gz FVDQFGMPLVBHLZ-AWEZNQCLSA-N 1 0 327.384 2.545 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000449100413 477439629 /nfs/dbraw/zinc/43/96/29/477439629.db2.gz WWKRZLOUURZCSO-XJKSGUPXSA-N 1 0 348.374 2.694 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458509315 477457901 /nfs/dbraw/zinc/45/79/01/477457901.db2.gz PDPTXTCSSZOVIR-HUUCEWRRSA-N 1 0 348.447 2.995 20 5 EFBDRO O=c1c([N+](=O)[O-])cccn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412999015 477466973 /nfs/dbraw/zinc/46/69/73/477466973.db2.gz ZYSQCTXKUSCZDM-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000449177424 477471535 /nfs/dbraw/zinc/47/15/35/477471535.db2.gz VKSYRQKXJPAKRD-HOCLYGCPSA-N 1 0 343.431 2.518 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449181981 477473148 /nfs/dbraw/zinc/47/31/48/477473148.db2.gz AIFBGEUNRZJNLZ-KBPBESRZSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000449208852 477486634 /nfs/dbraw/zinc/48/66/34/477486634.db2.gz PSMMSDOSAOHESA-LIRRHRJNSA-N 1 0 339.395 2.703 20 5 EFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449218345 477493117 /nfs/dbraw/zinc/49/31/17/477493117.db2.gz HNBOWIPXSQIDHR-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455091561 477494903 /nfs/dbraw/zinc/49/49/03/477494903.db2.gz INJSSILDHQZREU-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000449236821 477500058 /nfs/dbraw/zinc/50/00/58/477500058.db2.gz LWXJAJLNRIXYQE-OAHLLOKOSA-N 1 0 338.429 2.681 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000367465936 477527202 /nfs/dbraw/zinc/52/72/02/477527202.db2.gz PNEDZYGLOYJXNN-MRXNPFEDSA-N 1 0 326.400 2.888 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413132618 477536847 /nfs/dbraw/zinc/53/68/47/477536847.db2.gz BVQPSRKMHZGOAC-SNVBAGLBSA-N 1 0 332.326 2.787 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000449309715 477537638 /nfs/dbraw/zinc/53/76/38/477537638.db2.gz FEUUQFVJPRVPPF-HFTRVMKXSA-N 1 0 348.443 2.683 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413136985 477539424 /nfs/dbraw/zinc/53/94/24/477539424.db2.gz HSZRXWRFAOEMSL-WFASDCNBSA-N 1 0 340.399 2.678 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413154073 477543876 /nfs/dbraw/zinc/54/38/76/477543876.db2.gz MSTSCIBYSAZBIO-NSHDSACASA-N 1 0 344.337 2.931 20 5 EFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367501988 477547077 /nfs/dbraw/zinc/54/70/77/477547077.db2.gz DJDXFLXDDCIZQB-QGZVFWFLSA-N 1 0 332.448 2.508 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000413166673 477549491 /nfs/dbraw/zinc/54/94/91/477549491.db2.gz KKGHGENPYQNBDG-LSDHHAIUSA-N 1 0 347.415 2.739 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413170156 477553091 /nfs/dbraw/zinc/55/30/91/477553091.db2.gz NIEAYONIDNHLCA-JTQLQIEISA-N 1 0 332.326 2.787 20 5 EFBDRO CS[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000413204816 477568532 /nfs/dbraw/zinc/56/85/32/477568532.db2.gz JMSWARIGVRQNKP-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449785108 477573757 /nfs/dbraw/zinc/57/37/57/477573757.db2.gz DHERHECLFFPKCS-AWEZNQCLSA-N 1 0 337.420 2.527 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458764784 477582266 /nfs/dbraw/zinc/58/22/66/477582266.db2.gz HEKNMOMGWGJBPD-BBRMVZONSA-N 1 0 334.420 2.829 20 5 EFBDRO CNc1c(C(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000419915435 477587622 /nfs/dbraw/zinc/58/76/22/477587622.db2.gz CNCQXXPCXUHKIJ-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO Cc1cc(NCCCN2CC[NH2+]CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420122397 477626164 /nfs/dbraw/zinc/62/61/64/477626164.db2.gz MRVVNJGXTZFPHL-UHFFFAOYSA-N 1 0 346.353 2.629 20 5 EFBDRO Cc1ccc(NC(=O)c2ccc(N[C@H]3CC[NH2+]C3)c([N+](=O)[O-])c2)cc1 ZINC000420140827 477627273 /nfs/dbraw/zinc/62/72/73/477627273.db2.gz QHYDTGLCZNHFNZ-HNNXBMFYSA-N 1 0 340.383 2.929 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000450549841 477628832 /nfs/dbraw/zinc/62/88/32/477628832.db2.gz WHHJQCUTMVKLGR-GFCCVEGCSA-N 1 0 347.415 2.610 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCC[N@H+](C)C1CC1 ZINC000413350844 477641999 /nfs/dbraw/zinc/64/19/99/477641999.db2.gz YFCJEVBHZFBKFI-UHFFFAOYSA-N 1 0 344.415 2.860 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458893652 477644834 /nfs/dbraw/zinc/64/48/34/477644834.db2.gz WRIMQEHROHLZRJ-BBRMVZONSA-N 1 0 334.420 2.780 20 5 EFBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000367711087 477650690 /nfs/dbraw/zinc/65/06/90/477650690.db2.gz XNTRYTPNZKHBQN-GFCCVEGCSA-N 1 0 329.356 2.552 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000420272600 477656533 /nfs/dbraw/zinc/65/65/33/477656533.db2.gz IFARZUWTWLDSBU-LBPRGKRZSA-N 1 0 331.401 2.978 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000420293020 477667535 /nfs/dbraw/zinc/66/75/35/477667535.db2.gz XGXZCDXLUQGJFW-KBPBESRZSA-N 1 0 346.431 2.760 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](Cc2nccn2C)C1 ZINC000377176083 477677964 /nfs/dbraw/zinc/67/79/64/477677964.db2.gz PVXZDPBORKCWNI-AWEZNQCLSA-N 1 0 342.399 2.990 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000413437669 477679920 /nfs/dbraw/zinc/67/99/20/477679920.db2.gz KLZBUFTVYZQCQZ-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413458044 477687135 /nfs/dbraw/zinc/68/71/35/477687135.db2.gz QICHMRVQEJJPTQ-ZWKOTPCHSA-N 1 0 345.443 2.889 20 5 EFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420327008 477697053 /nfs/dbraw/zinc/69/70/53/477697053.db2.gz GCZNMIYYUIZKGX-ZBFHGGJFSA-N 1 0 339.823 2.576 20 5 EFBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367836109 477711999 /nfs/dbraw/zinc/71/19/99/477711999.db2.gz MPSIFNADCHRONR-IUGNXXBASA-N 1 0 329.400 2.692 20 5 EFBDRO [NH3+]C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000420357873 477719584 /nfs/dbraw/zinc/71/95/84/477719584.db2.gz DVIQWCBBHVPYRZ-HNNXBMFYSA-N 1 0 345.403 2.642 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000367857361 477723664 /nfs/dbraw/zinc/72/36/64/477723664.db2.gz VWCFZFBFXWWLED-IAGOWNOFSA-N 1 0 343.358 2.609 20 5 EFBDRO COc1cc(CN[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420366471 477724061 /nfs/dbraw/zinc/72/40/61/477724061.db2.gz RDMZJRTVZWTCML-ZDUSSCGKSA-N 1 0 347.362 2.668 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000372293454 477740812 /nfs/dbraw/zinc/74/08/12/477740812.db2.gz DTYIYKNEIQUBMJ-UKRRQHHQSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1c(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000420390430 477742117 /nfs/dbraw/zinc/74/21/17/477742117.db2.gz NIDVSLGANUTZRK-DLBZAZTESA-N 1 0 329.375 2.969 20 5 EFBDRO CC[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000420409302 477754251 /nfs/dbraw/zinc/75/42/51/477754251.db2.gz QLCMXPXETABURK-OTWHNJEPSA-N 1 0 343.427 2.566 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413621533 477754563 /nfs/dbraw/zinc/75/45/63/477754563.db2.gz CNQWRHZPJLWQAG-OWLYRPNTSA-N 1 0 343.427 2.641 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420422346 477756829 /nfs/dbraw/zinc/75/68/29/477756829.db2.gz ZHGYAJYMPMNWFD-QGZVFWFLSA-N 1 0 327.384 2.620 20 5 EFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437833674 477761739 /nfs/dbraw/zinc/76/17/39/477761739.db2.gz LUSZYBRFBGSYPI-AWEZNQCLSA-N 1 0 346.431 2.704 20 5 EFBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372348793 477766226 /nfs/dbraw/zinc/76/62/26/477766226.db2.gz YCWYQPPYSINFMY-NVXWUHKLSA-N 1 0 341.411 2.710 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cccc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427256666 477771249 /nfs/dbraw/zinc/77/12/49/477771249.db2.gz MQDFZNYJMHMLDI-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010771 477786232 /nfs/dbraw/zinc/78/62/32/477786232.db2.gz LYPRWOMICFVDSZ-CYBMUJFWSA-N 1 0 334.420 2.609 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000493799622 477830782 /nfs/dbraw/zinc/83/07/82/477830782.db2.gz YOYKROUHOVCZHU-DEPRWMIWSA-N 1 0 335.379 2.579 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000428177774 477833953 /nfs/dbraw/zinc/83/39/53/477833953.db2.gz RJMIOQYFTHAKNK-DZGCQCFKSA-N 1 0 343.387 2.565 20 5 EFBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954940 477852058 /nfs/dbraw/zinc/85/20/58/477852058.db2.gz ZXOVRBUOJICXNG-QWHCGFSZSA-N 1 0 331.372 2.700 20 5 EFBDRO CCC1(CC)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000438501964 477852948 /nfs/dbraw/zinc/85/29/48/477852948.db2.gz VCCDARNYSMKUEP-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000420959721 477858655 /nfs/dbraw/zinc/85/86/55/477858655.db2.gz QSFYNQLBLQZYEK-HZPDHXFCSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456335481 477867268 /nfs/dbraw/zinc/86/72/68/477867268.db2.gz WWOYUKKMAVIZJJ-GOOCMWNKSA-N 1 0 331.416 2.875 20 5 EFBDRO CCOCC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493877178 477869364 /nfs/dbraw/zinc/86/93/64/477869364.db2.gz YXSKTTZGYUUZHE-CYBMUJFWSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000456341370 477873068 /nfs/dbraw/zinc/87/30/68/477873068.db2.gz FAHXQAZXDOACCM-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000456362451 477886537 /nfs/dbraw/zinc/88/65/37/477886537.db2.gz WMZPXYODPPERCB-MRXNPFEDSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456362485 477886938 /nfs/dbraw/zinc/88/69/38/477886938.db2.gz WONYJXVQEQSMNS-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421001727 477891213 /nfs/dbraw/zinc/89/12/13/477891213.db2.gz LTMJRXZUTSGXLM-WFASDCNBSA-N 1 0 345.403 2.732 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000438846626 477892654 /nfs/dbraw/zinc/89/26/54/477892654.db2.gz BXYQFNZBTNASSQ-KRWDZBQOSA-N 1 0 348.447 2.905 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421024939 477915744 /nfs/dbraw/zinc/91/57/44/477915744.db2.gz XQCGOLBBJPCKKU-HNNXBMFYSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@H](O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439004568 477916817 /nfs/dbraw/zinc/91/68/17/477916817.db2.gz OSDFZUFEYXIXCA-NSHDSACASA-N 1 0 347.337 2.507 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000462746600 477918231 /nfs/dbraw/zinc/91/82/31/477918231.db2.gz RDKHROQRCHXVOZ-KRWDZBQOSA-N 1 0 345.443 2.932 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000516277391 477918430 /nfs/dbraw/zinc/91/84/30/477918430.db2.gz DBEROTRIDJUEBV-NSHDSACASA-N 1 0 334.401 2.773 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000459511461 477945982 /nfs/dbraw/zinc/94/59/82/477945982.db2.gz PIPAUQBMDFRHDX-ZDUSSCGKSA-N 1 0 340.374 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494262119 477955477 /nfs/dbraw/zinc/95/54/77/477955477.db2.gz LOWRYHNHIWCTOB-UHFFFAOYSA-N 1 0 334.347 2.607 20 5 EFBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000494291472 477961800 /nfs/dbraw/zinc/96/18/00/477961800.db2.gz WTZPEGFWXONHDV-QINSGFPZSA-N 1 0 327.384 2.792 20 5 EFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464809747 477962822 /nfs/dbraw/zinc/96/28/22/477962822.db2.gz CFYPQWJLERLJTD-CRAIPNDOSA-N 1 0 349.431 2.977 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428730927 477970447 /nfs/dbraw/zinc/97/04/47/477970447.db2.gz QILQJYHIJLGMMH-OKILXGFUSA-N 1 0 331.416 2.959 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000439510608 477994405 /nfs/dbraw/zinc/99/44/05/477994405.db2.gz GZKIURKRTJNTKG-KCPJHIHWSA-N 1 0 335.404 2.633 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000494480148 477995193 /nfs/dbraw/zinc/99/51/93/477995193.db2.gz YIRXCNPTRGVQPL-ZWKOTPCHSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451409223 477997193 /nfs/dbraw/zinc/99/71/93/477997193.db2.gz AAWPRDRNTRJGHV-GKLJAUDBSA-N 1 0 347.415 2.547 20 5 EFBDRO Cc1cc(F)ccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516862092 477997433 /nfs/dbraw/zinc/99/74/33/477997433.db2.gz IAAXXUDMJOLFBC-INIZCTEOSA-N 1 0 348.374 2.614 20 5 EFBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459609221 478009352 /nfs/dbraw/zinc/00/93/52/478009352.db2.gz JBUUNJJCJYIPKK-APPDUMDISA-N 1 0 349.387 2.820 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439617448 478009286 /nfs/dbraw/zinc/00/92/86/478009286.db2.gz YORLJMPAICDLOE-YXAMBPQSSA-N 1 0 347.415 2.715 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000516921935 478012664 /nfs/dbraw/zinc/01/26/64/478012664.db2.gz XTTWTWPLTGORTC-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO NC(=O)CC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000459619632 478013943 /nfs/dbraw/zinc/01/39/43/478013943.db2.gz GDBCCUFYVXANMM-UHFFFAOYSA-N 1 0 331.397 2.631 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000516950072 478018689 /nfs/dbraw/zinc/01/86/89/478018689.db2.gz YSNMUCKZHREQJV-CAOSSQGBSA-N 1 0 334.420 2.822 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000560097537 478018975 /nfs/dbraw/zinc/01/89/75/478018975.db2.gz WCGVJNXFNDAEII-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000439698547 478019597 /nfs/dbraw/zinc/01/95/97/478019597.db2.gz SHNCKOIWPGBNBG-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)OC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533017146 478023758 /nfs/dbraw/zinc/02/37/58/478023758.db2.gz GVXINOHJOQQTRS-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451457836 478027723 /nfs/dbraw/zinc/02/77/23/478027723.db2.gz NTOXNBCYALUGEQ-INIZCTEOSA-N 1 0 329.400 2.796 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000487517537 478040931 /nfs/dbraw/zinc/04/09/31/478040931.db2.gz OOEHUBYMGFLYJZ-CZUORRHYSA-N 1 0 342.399 2.563 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451480794 478041534 /nfs/dbraw/zinc/04/15/34/478041534.db2.gz QBXGOWBIEZCPHQ-DAXOMENPSA-N 1 0 347.415 2.859 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481151 478041754 /nfs/dbraw/zinc/04/17/54/478041754.db2.gz AHHVCBSLRFEIPG-GUYCJALGSA-N 1 0 346.387 2.938 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451480795 478041950 /nfs/dbraw/zinc/04/19/50/478041950.db2.gz QBXGOWBIEZCPHQ-UHOFOFEASA-N 1 0 347.415 2.859 20 5 EFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439897632 478045260 /nfs/dbraw/zinc/04/52/60/478045260.db2.gz HYKMMYPOHQUHDO-KRWDZBQOSA-N 1 0 346.431 2.530 20 5 EFBDRO COC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000459699042 478045509 /nfs/dbraw/zinc/04/55/09/478045509.db2.gz ZWRXMQGMBXRFHA-FUJMWEONSA-N 1 0 335.404 2.859 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCSCC1 ZINC000459700790 478045933 /nfs/dbraw/zinc/04/59/33/478045933.db2.gz BHKSMGIOASYECN-UHFFFAOYSA-N 1 0 340.445 2.730 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451491823 478048575 /nfs/dbraw/zinc/04/85/75/478048575.db2.gz CIEFOKRIYGYVKG-JCURWCKSSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499874 478054331 /nfs/dbraw/zinc/05/43/31/478054331.db2.gz XPGBQGVKGKPOGM-DYVFJYSZSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504091 478056110 /nfs/dbraw/zinc/05/61/10/478056110.db2.gz JLAKDYTWOMFCLK-NZVBXONLSA-N 1 0 346.387 2.794 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000459749336 478072501 /nfs/dbraw/zinc/07/25/01/478072501.db2.gz MGTUSUGHBFJYIR-INIZCTEOSA-N 1 0 330.384 2.778 20 5 EFBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000459756204 478075338 /nfs/dbraw/zinc/07/53/38/478075338.db2.gz NHQVCHQEXMVGQP-LSDHHAIUSA-N 1 0 334.397 2.827 20 5 EFBDRO CC1CC[NH+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000487831760 478077047 /nfs/dbraw/zinc/07/70/47/478077047.db2.gz GZJRXHDMXMPUOS-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000459758555 478077544 /nfs/dbraw/zinc/07/75/44/478077544.db2.gz SIKQVBXYGBSOSP-UKINESCASA-N 1 0 342.395 2.982 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459762734 478079016 /nfs/dbraw/zinc/07/90/16/478079016.db2.gz NNNPQQZUXJRXEN-HZPDHXFCSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459762732 478079036 /nfs/dbraw/zinc/07/90/36/478079036.db2.gz NNNPQQZUXJRXEN-HOTGVXAUSA-N 1 0 347.415 2.779 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761473 478079870 /nfs/dbraw/zinc/07/98/70/478079870.db2.gz AXQDVNIKKCKPNT-KWCYVHTRSA-N 1 0 333.388 2.710 20 5 EFBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C2CC3CC(C2)CC1C3 ZINC000459766519 478080409 /nfs/dbraw/zinc/08/04/09/478080409.db2.gz DTOMUCDYEGICGM-UHFFFAOYSA-N 1 0 347.390 2.504 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547441 478082783 /nfs/dbraw/zinc/08/27/83/478082783.db2.gz TYVIWKOXTNXYBI-BBRMVZONSA-N 1 0 335.404 2.670 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[C@@H]1C ZINC000487959922 478090756 /nfs/dbraw/zinc/09/07/56/478090756.db2.gz SKKAUVDBHZLVDC-WMLDXEAASA-N 1 0 349.431 2.979 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000533506525 478090808 /nfs/dbraw/zinc/09/08/08/478090808.db2.gz OYVIKKFEELCJLS-HNNXBMFYSA-N 1 0 348.447 2.877 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[C@H]1C ZINC000487959920 478092056 /nfs/dbraw/zinc/09/20/56/478092056.db2.gz SKKAUVDBHZLVDC-PBHICJAKSA-N 1 0 349.431 2.979 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487963673 478094632 /nfs/dbraw/zinc/09/46/32/478094632.db2.gz RNLXWGAWIQUKAT-ZFWWWQNUSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451568683 478098831 /nfs/dbraw/zinc/09/88/31/478098831.db2.gz NYEGDEQOFPHBHH-XJKSGUPXSA-N 1 0 335.404 2.589 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000451569071 478099391 /nfs/dbraw/zinc/09/93/91/478099391.db2.gz SLTLDLCFCVKGAS-HNNXBMFYSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451573502 478103637 /nfs/dbraw/zinc/10/36/37/478103637.db2.gz REKMKNFHWYRJBX-CZUORRHYSA-N 1 0 335.404 2.589 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C ZINC000488001429 478104295 /nfs/dbraw/zinc/10/42/95/478104295.db2.gz JRNMJACNHQHPHS-WMLDXEAASA-N 1 0 349.431 2.695 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[C@@H]1C ZINC000488039854 478110313 /nfs/dbraw/zinc/11/03/13/478110313.db2.gz CZSKESKSKIFBCU-GUYCJALGSA-N 1 0 349.431 2.979 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C(C)C ZINC000429384509 478125501 /nfs/dbraw/zinc/12/55/01/478125501.db2.gz WDRURYIFLZFTHC-HOCLYGCPSA-N 1 0 336.388 2.623 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000495135174 478127736 /nfs/dbraw/zinc/12/77/36/478127736.db2.gz FJCFZRGYJPMGEV-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)Oc1nc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000517962094 478136260 /nfs/dbraw/zinc/13/62/60/478136260.db2.gz QZUWAGLOISMIOG-UHFFFAOYSA-N 1 0 334.420 2.842 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000488515361 478157378 /nfs/dbraw/zinc/15/73/78/478157378.db2.gz KRLFQYGHWJBUBX-CALCHBBNSA-N 1 0 332.356 2.700 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000518363003 478162352 /nfs/dbraw/zinc/16/23/52/478162352.db2.gz YEHRIYFULQNIOD-NEPJUHHUSA-N 1 0 330.331 2.502 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)nc2c1 ZINC000451699062 478165091 /nfs/dbraw/zinc/16/50/91/478165091.db2.gz TZZKMTRYUYPATC-BZPMIXESSA-N 1 0 331.372 2.719 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488722698 478175326 /nfs/dbraw/zinc/17/53/26/478175326.db2.gz VOWFNEJGBVSKMJ-GDZNZVCISA-N 1 0 331.416 2.964 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000429701806 478175456 /nfs/dbraw/zinc/17/54/56/478175456.db2.gz MJEVPSOSYIXKFT-BRWVUGGUSA-N 1 0 332.400 2.911 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000488743370 478177566 /nfs/dbraw/zinc/17/75/66/478177566.db2.gz HUHQMEQVRZVODN-SGMGOOAPSA-N 1 0 337.395 2.909 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451733541 478182974 /nfs/dbraw/zinc/18/29/74/478182974.db2.gz VIGBOMIXBGOEBA-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451787969 478203439 /nfs/dbraw/zinc/20/34/39/478203439.db2.gz YOYXNPJXQKEZIK-CQSZACIVSA-N 1 0 337.420 2.571 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495507894 478212047 /nfs/dbraw/zinc/21/20/47/478212047.db2.gz GUPGUOYMVWKSRR-HIFRSBDPSA-N 1 0 335.404 2.860 20 5 EFBDRO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519518083 478228051 /nfs/dbraw/zinc/22/80/51/478228051.db2.gz LXUHLYQKDLCKCG-CQSZACIVSA-N 1 0 331.416 2.785 20 5 EFBDRO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519518074 478228108 /nfs/dbraw/zinc/22/81/08/478228108.db2.gz LXUHLYQKDLCKCG-AWEZNQCLSA-N 1 0 331.416 2.785 20 5 EFBDRO CC[NH+](CC)CCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489325413 478234534 /nfs/dbraw/zinc/23/45/34/478234534.db2.gz CBIZRAHTWBHZIG-UHFFFAOYSA-N 1 0 343.431 2.926 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489401654 478241115 /nfs/dbraw/zinc/24/11/15/478241115.db2.gz LKMPWSBHVQFQPV-QWHCGFSZSA-N 1 0 334.420 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000519636342 478244241 /nfs/dbraw/zinc/24/42/41/478244241.db2.gz DJOQGQCGZSOLQI-KLZNWCGWSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519790206 478260478 /nfs/dbraw/zinc/26/04/78/478260478.db2.gz VRCSTBUGZZSQMH-DOTOQJQBSA-N 1 0 344.411 2.945 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489624033 478261919 /nfs/dbraw/zinc/26/19/19/478261919.db2.gz HXILKZPLAINFTN-IPYPFGDCSA-N 1 0 334.420 2.746 20 5 EFBDRO COC(=O)c1coc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562601365 478277458 /nfs/dbraw/zinc/27/74/58/478277458.db2.gz IVNXUMHYEXTCPP-LLVKDONJSA-N 1 0 334.328 2.704 20 5 EFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590661467 478279178 /nfs/dbraw/zinc/27/91/78/478279178.db2.gz SZMPLJHFZWTFPN-SJORKVTESA-N 1 0 348.399 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCn3ccnc3C2)nc1-c1ccccc1 ZINC000489891723 478283830 /nfs/dbraw/zinc/28/38/30/478283830.db2.gz GRKSQAOHJWJFDV-CQSZACIVSA-N 1 0 335.367 2.702 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600214154 478290057 /nfs/dbraw/zinc/29/00/57/478290057.db2.gz LOFYPXMYEXOVCA-XYPYZODXSA-N 1 0 346.330 2.514 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590689611 478292024 /nfs/dbraw/zinc/29/20/24/478292024.db2.gz AAIAWJZQNGEXPN-CYBMUJFWSA-N 1 0 330.388 2.666 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000537422692 478301811 /nfs/dbraw/zinc/30/18/11/478301811.db2.gz JYVCWEYZNTUPAE-HNNXBMFYSA-N 1 0 341.411 2.913 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000579463539 478303510 /nfs/dbraw/zinc/30/35/10/478303510.db2.gz YJJWFGPVQYDYIN-GJZGRUSLSA-N 1 0 348.447 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000590755431 478322736 /nfs/dbraw/zinc/32/27/36/478322736.db2.gz SXZWUSYDRZDLHE-KSZLIROESA-N 1 0 334.416 2.989 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000590755434 478322921 /nfs/dbraw/zinc/32/29/21/478322921.db2.gz SXZWUSYDRZDLHE-RCCFBDPRSA-N 1 0 334.416 2.989 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000490290492 478326697 /nfs/dbraw/zinc/32/66/97/478326697.db2.gz RMHOQKRIIBYGSL-HNNXBMFYSA-N 1 0 333.432 2.932 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490302039 478328164 /nfs/dbraw/zinc/32/81/64/478328164.db2.gz SUEFYDMZEPOGCL-CYBMUJFWSA-N 1 0 325.796 2.660 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310568 478332869 /nfs/dbraw/zinc/33/28/69/478332869.db2.gz KERDHDFPJIVUND-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310324 478333157 /nfs/dbraw/zinc/33/31/57/478333157.db2.gz IEKCHALATBXECY-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000520659001 478333312 /nfs/dbraw/zinc/33/33/12/478333312.db2.gz NZASDMRNZPOGKC-UHFFFAOYSA-N 1 0 340.427 2.853 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000590779382 478334139 /nfs/dbraw/zinc/33/41/39/478334139.db2.gz IPFOKAXUHPYMCE-GFCCVEGCSA-N 1 0 334.397 2.849 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600314213 478336926 /nfs/dbraw/zinc/33/69/26/478336926.db2.gz NRRRRYPLPXVJCQ-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000579614247 478343426 /nfs/dbraw/zinc/34/34/26/478343426.db2.gz WSBPZVHOOJARLJ-QGZVFWFLSA-N 1 0 334.420 2.699 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000594375430 478350043 /nfs/dbraw/zinc/35/00/43/478350043.db2.gz OGMNUIOVRULPNJ-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000594389481 478356728 /nfs/dbraw/zinc/35/67/28/478356728.db2.gz JNSJKFVRFVDAMU-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000594389153 478357204 /nfs/dbraw/zinc/35/72/04/478357204.db2.gz FXEADXCIYAFETK-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538408376 478359371 /nfs/dbraw/zinc/35/93/71/478359371.db2.gz YZHRHXVTDRSPIG-GUYCJALGSA-N 1 0 349.431 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000570445037 478360416 /nfs/dbraw/zinc/36/04/16/478360416.db2.gz UNASDASYVMAJDV-OAGGEKHMSA-N 1 0 334.416 2.750 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594418186 478373911 /nfs/dbraw/zinc/37/39/11/478373911.db2.gz GYTGNPZFPRRPMX-ZIAGYGMSSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594418877 478375419 /nfs/dbraw/zinc/37/54/19/478375419.db2.gz NOIQGYXGYBBVQX-DZGCQCFKSA-N 1 0 342.399 2.823 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597532323 478398495 /nfs/dbraw/zinc/39/84/95/478398495.db2.gz INFNYJWUURFTQO-CHWSQXEVSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000562990305 478405700 /nfs/dbraw/zinc/40/57/00/478405700.db2.gz BOJTZLICXJPUCE-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000539225408 478406858 /nfs/dbraw/zinc/40/68/58/478406858.db2.gz LWYARDKZQQIDAZ-AWEZNQCLSA-N 1 0 345.399 2.895 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496604 478412125 /nfs/dbraw/zinc/41/21/25/478412125.db2.gz PNHGJTWDJWGQSA-QZTJIDSGSA-N 1 0 333.432 2.889 20 5 EFBDRO CCCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000581662497 478413031 /nfs/dbraw/zinc/41/30/31/478413031.db2.gz LTGHIRUCTWQHLA-UHFFFAOYSA-N 1 0 326.418 2.538 20 5 EFBDRO Cc1c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000594501330 478414443 /nfs/dbraw/zinc/41/44/43/478414443.db2.gz UGVJHTZQSFCEGI-KRWDZBQOSA-N 1 0 333.432 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000539508443 478419305 /nfs/dbraw/zinc/41/93/05/478419305.db2.gz MRCGFZFNGDALID-BRWVUGGUSA-N 1 0 332.400 2.911 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000594516484 478423006 /nfs/dbraw/zinc/42/30/06/478423006.db2.gz WLNIXOIEMCZTNG-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594521683 478424705 /nfs/dbraw/zinc/42/47/05/478424705.db2.gz NSAGKJZHGBFGJZ-XJKSGUPXSA-N 1 0 341.415 2.638 20 5 EFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594521679 478424950 /nfs/dbraw/zinc/42/49/50/478424950.db2.gz NSAGKJZHGBFGJZ-BBRMVZONSA-N 1 0 341.415 2.638 20 5 EFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000594520574 478425204 /nfs/dbraw/zinc/42/52/04/478425204.db2.gz JLZKKBUPSCTIJV-BZNIZROVSA-N 1 0 341.415 2.593 20 5 EFBDRO CCC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594523207 478425209 /nfs/dbraw/zinc/42/52/09/478425209.db2.gz XEXFTIDERJJJGQ-DZGCQCFKSA-N 1 0 329.404 2.712 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594524856 478426259 /nfs/dbraw/zinc/42/62/59/478426259.db2.gz MCWHJAIWOFKHIK-HUUCEWRRSA-N 1 0 336.367 2.872 20 5 EFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000600591887 478431042 /nfs/dbraw/zinc/43/10/42/478431042.db2.gz PPZUEQJBCIOVDR-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000570738387 478434812 /nfs/dbraw/zinc/43/48/12/478434812.db2.gz CYFDUHGRWYZWNN-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)SCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000563081439 478443810 /nfs/dbraw/zinc/44/38/10/478443810.db2.gz OUZLOEFGZPNSLF-GFCCVEGCSA-N 1 0 337.445 2.963 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000594603323 478461977 /nfs/dbraw/zinc/46/19/77/478461977.db2.gz UCORFUDUILPVLA-TZMCWYRMSA-N 1 0 327.388 2.967 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597700609 478470656 /nfs/dbraw/zinc/47/06/56/478470656.db2.gz OOHSQBOUGVGHHG-RNCFNFMXSA-N 1 0 345.321 2.778 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628778 478473426 /nfs/dbraw/zinc/47/34/26/478473426.db2.gz KDWCGRARLAEPOX-UHFFFAOYSA-N 1 0 337.807 2.997 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597707325 478473548 /nfs/dbraw/zinc/47/35/48/478473548.db2.gz DJQIDWZOMKKLCP-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000591143026 478473721 /nfs/dbraw/zinc/47/37/21/478473721.db2.gz GRCBBXFHUMCFSC-UHFFFAOYSA-N 1 0 344.297 2.510 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629026 478473964 /nfs/dbraw/zinc/47/39/64/478473964.db2.gz WUMDDQYHOHKNMS-UHFFFAOYSA-N 1 0 331.416 2.960 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628767 478474189 /nfs/dbraw/zinc/47/41/89/478474189.db2.gz JAWSJVKINIVUFA-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597711590 478474572 /nfs/dbraw/zinc/47/45/72/478474572.db2.gz VNUIWFBCMWTANU-KBXCAEBGSA-N 1 0 331.416 2.643 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591146710 478474793 /nfs/dbraw/zinc/47/47/93/478474793.db2.gz RDWGDASTCMUIGM-JTQLQIEISA-N 1 0 348.325 2.531 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148851 478475833 /nfs/dbraw/zinc/47/58/33/478475833.db2.gz FLWNRSIAPLIQJU-CQSZACIVSA-N 1 0 330.363 2.840 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000591182644 478484960 /nfs/dbraw/zinc/48/49/60/478484960.db2.gz GGUOUSDHVQYOOJ-ZDUSSCGKSA-N 1 0 349.431 2.842 20 5 EFBDRO Cc1c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723825 478486943 /nfs/dbraw/zinc/48/69/43/478486943.db2.gz FMCKKTMGOMIXNN-OLZOCXBDSA-N 1 0 331.338 2.862 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600723693 478487229 /nfs/dbraw/zinc/48/72/29/478487229.db2.gz DKXLLJKWAZWVOG-KOLCDFICSA-N 1 0 335.301 2.693 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491280531 478497653 /nfs/dbraw/zinc/49/76/53/478497653.db2.gz VYUPDDGJQTVHSB-GQCTYLIASA-N 1 0 335.379 2.736 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591270360 478504004 /nfs/dbraw/zinc/50/40/04/478504004.db2.gz ZZZLUALWJGOFCG-ZIAGYGMSSA-N 1 0 332.404 2.838 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591270359 478504073 /nfs/dbraw/zinc/50/40/73/478504073.db2.gz ZZZLUALWJGOFCG-UONOGXRCSA-N 1 0 332.404 2.838 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000594716002 478508672 /nfs/dbraw/zinc/50/86/72/478508672.db2.gz GATNEXPUSXERAZ-MRXNPFEDSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776242 478514674 /nfs/dbraw/zinc/51/46/74/478514674.db2.gz QGYHRHMHZKDBMP-CHWSQXEVSA-N 1 0 331.338 2.862 20 5 EFBDRO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000600784505 478519657 /nfs/dbraw/zinc/51/96/57/478519657.db2.gz LEIHFXSGHYHCFF-QGZVFWFLSA-N 1 0 330.388 2.568 20 5 EFBDRO O=C(Nc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000600788163 478520277 /nfs/dbraw/zinc/52/02/77/478520277.db2.gz CPWUTUOIWDZDNZ-GFCCVEGCSA-N 1 0 344.346 2.734 20 5 EFBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000591315387 478520354 /nfs/dbraw/zinc/52/03/54/478520354.db2.gz DMMIUKGOFJFZRP-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591344225 478530327 /nfs/dbraw/zinc/53/03/27/478530327.db2.gz YWCPAEMBYFEGBQ-AWEZNQCLSA-N 1 0 346.431 2.831 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)C3CCCCC3)n2)cc1 ZINC000541052086 478532578 /nfs/dbraw/zinc/53/25/78/478532578.db2.gz XWGRQYPMYDXFQG-HNNXBMFYSA-N 1 0 346.387 2.676 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491402099 478536359 /nfs/dbraw/zinc/53/63/59/478536359.db2.gz RJWKGNSVENXVLT-AGLBCWCQSA-N 1 0 335.379 2.594 20 5 EFBDRO C[N@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000600827095 478536491 /nfs/dbraw/zinc/53/64/91/478536491.db2.gz SBMLZHUKECEDQN-HNNXBMFYSA-N 1 0 331.416 2.785 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000571174067 478536590 /nfs/dbraw/zinc/53/65/90/478536590.db2.gz ORDMJXMUCOKPJM-CQSZACIVSA-N 1 0 344.337 2.931 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000571174811 478537667 /nfs/dbraw/zinc/53/76/67/478537667.db2.gz YYQSMKXZQCKVJP-UHFFFAOYSA-N 1 0 345.321 2.815 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000597856523 478542372 /nfs/dbraw/zinc/54/23/72/478542372.db2.gz YYDQFZWLXGTNGV-CQSZACIVSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268574 478545101 /nfs/dbraw/zinc/54/51/01/478545101.db2.gz NUQXQXOBQJYWFU-WFASDCNBSA-N 1 0 345.399 2.595 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000597859487 478546929 /nfs/dbraw/zinc/54/69/29/478546929.db2.gz DUQZRCNUFWWDRX-LBPRGKRZSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597859674 478547114 /nfs/dbraw/zinc/54/71/14/478547114.db2.gz FMLCJRJFFUFIPL-KGLIPLIRSA-N 1 0 333.432 2.935 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861284 478547540 /nfs/dbraw/zinc/54/75/40/478547540.db2.gz SFTMHPAHDWIYCI-GFCCVEGCSA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1-c1ccc(F)cc1 ZINC000591438608 478552537 /nfs/dbraw/zinc/55/25/37/478552537.db2.gz NUUMQOKONNRRDK-WFASDCNBSA-N 1 0 342.374 2.984 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000591442968 478554282 /nfs/dbraw/zinc/55/42/82/478554282.db2.gz VQTQFHZVWXOXLO-NWDGAFQWSA-N 1 0 347.444 2.816 20 5 EFBDRO O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446988 478555971 /nfs/dbraw/zinc/55/59/71/478555971.db2.gz HOCJXJNWBPQWHU-SJORKVTESA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597920375 478574430 /nfs/dbraw/zinc/57/44/30/478574430.db2.gz ASNIATBAQPTNDI-NEPJUHHUSA-N 1 0 337.395 2.826 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597920376 478574482 /nfs/dbraw/zinc/57/44/82/478574482.db2.gz ASNIATBAQPTNDI-NWDGAFQWSA-N 1 0 337.395 2.826 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597920864 478575616 /nfs/dbraw/zinc/57/56/16/478575616.db2.gz BXOFDSROKZFMAS-AWEZNQCLSA-N 1 0 344.415 2.539 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920872 478575678 /nfs/dbraw/zinc/57/56/78/478575678.db2.gz CAPVJDFFAVZBKY-AWEZNQCLSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597920874 478576473 /nfs/dbraw/zinc/57/64/73/478576473.db2.gz CAPVJDFFAVZBKY-CQSZACIVSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925905 478578882 /nfs/dbraw/zinc/57/88/82/478578882.db2.gz XZVLXXFYRKWYCO-ZDUSSCGKSA-N 1 0 344.415 2.608 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000597925079 478579672 /nfs/dbraw/zinc/57/96/72/478579672.db2.gz NNWJKBTYVKLBME-AWEZNQCLSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000600942583 478579744 /nfs/dbraw/zinc/57/97/44/478579744.db2.gz FOWTVTNYPBUMDI-LBPRGKRZSA-N 1 0 337.376 2.828 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582370435 478583106 /nfs/dbraw/zinc/58/31/06/478583106.db2.gz PTICUFBMMRJHMA-KSSFIOAISA-N 1 0 342.395 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000600974215 478591536 /nfs/dbraw/zinc/59/15/36/478591536.db2.gz WYRKKLBUDANYGI-UHFFFAOYSA-N 1 0 345.403 2.666 20 5 EFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594937643 478595591 /nfs/dbraw/zinc/59/55/91/478595591.db2.gz PCJHVDIUGPIITP-UHFFFAOYSA-N 1 0 328.294 2.679 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680753 478605466 /nfs/dbraw/zinc/60/54/66/478605466.db2.gz DTYIKKXMGRJQBK-UHFFFAOYSA-N 1 0 329.356 2.698 20 5 EFBDRO CCc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2OC)cc1[N+](=O)[O-] ZINC000591681202 478605518 /nfs/dbraw/zinc/60/55/18/478605518.db2.gz XPBZLCAWGSTYCP-HNNXBMFYSA-N 1 0 343.383 2.596 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591681499 478605916 /nfs/dbraw/zinc/60/59/16/478605916.db2.gz STPAIJVDGZDGDJ-NSHDSACASA-N 1 0 335.429 2.721 20 5 EFBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890332 478609096 /nfs/dbraw/zinc/60/90/96/478609096.db2.gz RCZZXPIKCKCHRN-DZGCQCFKSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000594969491 478611105 /nfs/dbraw/zinc/61/11/05/478611105.db2.gz PXFANBQVJQHBLN-NSHDSACASA-N 1 0 333.413 2.969 20 5 EFBDRO Cc1csc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000591724743 478614346 /nfs/dbraw/zinc/61/43/46/478614346.db2.gz AHXZAMAAYYBVKQ-UHFFFAOYSA-N 1 0 334.401 2.521 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000571516011 478614807 /nfs/dbraw/zinc/61/48/07/478614807.db2.gz GVHUGURDMKAXIP-GDBMZVCRSA-N 1 0 346.358 2.751 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000601015127 478615010 /nfs/dbraw/zinc/61/50/10/478615010.db2.gz DTLIYQDXNRNYTP-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591744332 478618579 /nfs/dbraw/zinc/61/85/79/478618579.db2.gz UFMLVEMMLUQWQF-BHIYHBOVSA-N 1 0 342.395 2.654 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000594993002 478621282 /nfs/dbraw/zinc/62/12/82/478621282.db2.gz AXZXKBOOXBNPPB-KRWDZBQOSA-N 1 0 336.388 2.661 20 5 EFBDRO C[C@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759110 478621430 /nfs/dbraw/zinc/62/14/30/478621430.db2.gz GKQNQOTXMYVHRA-KBPBESRZSA-N 1 0 335.404 2.718 20 5 EFBDRO O=C(CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1 ZINC000591758805 478621742 /nfs/dbraw/zinc/62/17/42/478621742.db2.gz MPGDMVVSFWYEAC-UHFFFAOYSA-N 1 0 348.790 2.804 20 5 EFBDRO C[C@@H]1C[C@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759118 478621845 /nfs/dbraw/zinc/62/18/45/478621845.db2.gz GKQNQOTXMYVHRA-ZIAGYGMSSA-N 1 0 335.404 2.718 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCCOC1 ZINC000594997500 478623555 /nfs/dbraw/zinc/62/35/55/478623555.db2.gz XMXYUUCJDMGGLI-MRXNPFEDSA-N 1 0 342.823 2.906 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000595003151 478625872 /nfs/dbraw/zinc/62/58/72/478625872.db2.gz FHEUHIIZXPMQOM-HIFRSBDPSA-N 1 0 338.404 2.840 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000591771023 478626352 /nfs/dbraw/zinc/62/63/52/478626352.db2.gz KSRAJFSVGQOSLZ-ZYHUDNBSSA-N 1 0 336.310 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000595007343 478626895 /nfs/dbraw/zinc/62/68/95/478626895.db2.gz HJVOKZCCQRWFON-IHRRRGAJSA-N 1 0 349.431 2.901 20 5 EFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595017382 478629953 /nfs/dbraw/zinc/62/99/53/478629953.db2.gz UOLBHDMXUQPJGT-PNESKVBLSA-N 1 0 335.404 2.559 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000595014272 478629973 /nfs/dbraw/zinc/62/99/73/478629973.db2.gz WAOHSQUNAOXOMQ-MLGOLLRUSA-N 1 0 339.461 2.691 20 5 EFBDRO CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491684099 478631567 /nfs/dbraw/zinc/63/15/67/478631567.db2.gz CQXAVMNBQWMIPC-UFZAZABTSA-N 1 0 349.818 2.957 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000595034414 478636473 /nfs/dbraw/zinc/63/64/73/478636473.db2.gz XVMDSRDINHPBOS-LLVKDONJSA-N 1 0 348.428 2.799 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039595 478637505 /nfs/dbraw/zinc/63/75/05/478637505.db2.gz TZDRUVWXRFTMHH-OLZOCXBDSA-N 1 0 337.420 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000595044146 478639205 /nfs/dbraw/zinc/63/92/05/478639205.db2.gz IXWGBIUHSPKMNQ-MNOVXSKESA-N 1 0 329.347 2.593 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044437 478640542 /nfs/dbraw/zinc/64/05/42/478640542.db2.gz MSMUGMPMAHQNMO-STQMWFEESA-N 1 0 335.404 2.513 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056859 478643698 /nfs/dbraw/zinc/64/36/98/478643698.db2.gz RTOFWJFIYGILJJ-ZFWWWQNUSA-N 1 0 348.447 2.774 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595098585 478659015 /nfs/dbraw/zinc/65/90/15/478659015.db2.gz BZCBWMCCEMFRHZ-OLZOCXBDSA-N 1 0 349.431 2.901 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CCC2 ZINC000595098569 478659790 /nfs/dbraw/zinc/65/97/90/478659790.db2.gz BQTXXXNSECLVNC-IEBWSBKVSA-N 1 0 345.443 2.815 20 5 EFBDRO CS[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601134401 478678891 /nfs/dbraw/zinc/67/88/91/478678891.db2.gz BPAULNPHAVVQLV-CVEARBPZSA-N 1 0 332.429 2.625 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591899040 478684655 /nfs/dbraw/zinc/68/46/55/478684655.db2.gz IRTYMVWMNDKFLF-HUUCEWRRSA-N 1 0 347.415 2.739 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1ccnc1 ZINC000571848204 478688486 /nfs/dbraw/zinc/68/84/86/478688486.db2.gz QQHAJYVPVRTWCE-UHFFFAOYSA-N 1 0 337.339 2.747 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)s2)cc1 ZINC000601159938 478698384 /nfs/dbraw/zinc/69/83/84/478698384.db2.gz QPUBNEOIHIGCSG-HUUCEWRRSA-N 1 0 334.397 2.563 20 5 EFBDRO COc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[N+](=O)[O-] ZINC000595258160 478704146 /nfs/dbraw/zinc/70/41/46/478704146.db2.gz MCLUUOYSQZQYHC-TZMCWYRMSA-N 1 0 335.404 2.583 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000595267577 478707348 /nfs/dbraw/zinc/70/73/48/478707348.db2.gz FOEIYGMVLUGTTB-IAGOWNOFSA-N 1 0 339.395 2.779 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571926536 478709392 /nfs/dbraw/zinc/70/93/92/478709392.db2.gz UUGBFDDEGZXYLR-WMLDXEAASA-N 1 0 331.416 2.993 20 5 EFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598218887 478709604 /nfs/dbraw/zinc/70/96/04/478709604.db2.gz ITAVBPUCIZYKJM-CQSZACIVSA-N 1 0 347.415 2.740 20 5 EFBDRO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598218886 478710300 /nfs/dbraw/zinc/71/03/00/478710300.db2.gz ITAVBPUCIZYKJM-AWEZNQCLSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220949 478711254 /nfs/dbraw/zinc/71/12/54/478711254.db2.gz SAYZLHGRVUPOSM-LBPRGKRZSA-N 1 0 349.435 2.578 20 5 EFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220027 478711933 /nfs/dbraw/zinc/71/19/33/478711933.db2.gz NRISIBNIVIWCEY-AWEZNQCLSA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598220569 478712148 /nfs/dbraw/zinc/71/21/48/478712148.db2.gz QSBXWQLKDYXYJZ-INIZCTEOSA-N 1 0 345.443 2.969 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000601188660 478713431 /nfs/dbraw/zinc/71/34/31/478713431.db2.gz LQAYGJWKYOJYRH-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO Cc1cccc(NCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000571969128 478714673 /nfs/dbraw/zinc/71/46/73/478714673.db2.gz NWIGZAIGVPGKKB-LSDHHAIUSA-N 1 0 344.419 2.680 20 5 EFBDRO CC(C)[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595294975 478720136 /nfs/dbraw/zinc/72/01/36/478720136.db2.gz DRGZVRFFXXXUBK-IYBDPMFKSA-N 1 0 335.448 2.914 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000601251018 478746626 /nfs/dbraw/zinc/74/66/26/478746626.db2.gz TWGDVCDGDCSRSR-CQSZACIVSA-N 1 0 328.372 2.690 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000543502339 478749592 /nfs/dbraw/zinc/74/95/92/478749592.db2.gz SXRKHGMUFJBFMR-ZDUSSCGKSA-N 1 0 345.403 2.970 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601268616 478755512 /nfs/dbraw/zinc/75/55/12/478755512.db2.gz SASVHPDQGPQZRD-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000543618665 478761156 /nfs/dbraw/zinc/76/11/56/478761156.db2.gz IRYPDOLLOJGRMZ-STQMWFEESA-N 1 0 337.395 2.684 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601293650 478768693 /nfs/dbraw/zinc/76/86/93/478768693.db2.gz IJIPSGQQZKSICY-DGCLKSJQSA-N 1 0 341.293 2.567 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295391 478769909 /nfs/dbraw/zinc/76/99/09/478769909.db2.gz VONWULQERXSZER-GXFFZTMASA-N 1 0 343.309 2.949 20 5 EFBDRO Cc1noc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595441074 478784600 /nfs/dbraw/zinc/78/46/00/478784600.db2.gz ULRWTBXJNYRQDS-CZUORRHYSA-N 1 0 344.415 2.891 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595450654 478792318 /nfs/dbraw/zinc/79/23/18/478792318.db2.gz VGTXMGBNMPIKPV-GOSISDBHSA-N 1 0 341.342 2.830 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000564754398 478803931 /nfs/dbraw/zinc/80/39/31/478803931.db2.gz RWKJRALWPZHPON-CQSZACIVSA-N 1 0 342.351 2.871 20 5 EFBDRO CC(=O)c1nc(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000595473998 478805472 /nfs/dbraw/zinc/80/54/72/478805472.db2.gz CBHNQJMCZHDPCR-UHFFFAOYSA-N 1 0 330.388 2.546 20 5 EFBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544071648 478807592 /nfs/dbraw/zinc/80/75/92/478807592.db2.gz JWVFBJBDCRTRBP-MRXNPFEDSA-N 1 0 345.399 2.640 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595478200 478808843 /nfs/dbraw/zinc/80/88/43/478808843.db2.gz ZBACUFSDBUXKPH-USXIJHARSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572354139 478813861 /nfs/dbraw/zinc/81/38/61/478813861.db2.gz KEDVJDZIJGKDDR-ZIAGYGMSSA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595484599 478814418 /nfs/dbraw/zinc/81/44/18/478814418.db2.gz MJLBLRISGISUOF-YQQAZPJKSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181486 478814762 /nfs/dbraw/zinc/81/47/62/478814762.db2.gz FNHPTRKTFSSLPR-KBPBESRZSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCOCC2 ZINC000592181812 478815160 /nfs/dbraw/zinc/81/51/60/478815160.db2.gz IAOZACBHENSACZ-CYBMUJFWSA-N 1 0 348.399 2.852 20 5 EFBDRO C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592185095 478817631 /nfs/dbraw/zinc/81/76/31/478817631.db2.gz VNILYGZWPUTUOU-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1noc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595498462 478820401 /nfs/dbraw/zinc/82/04/01/478820401.db2.gz TWUAERRMRAXSOB-OLZOCXBDSA-N 1 0 333.388 2.878 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000595498603 478820925 /nfs/dbraw/zinc/82/09/25/478820925.db2.gz GIJVXNWWSBUSQG-KRWDZBQOSA-N 1 0 345.399 2.718 20 5 EFBDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826511 478822675 /nfs/dbraw/zinc/82/26/75/478822675.db2.gz QQBXNIYQCJBKKY-KSSFIOAISA-N 1 0 329.400 2.522 20 5 EFBDRO COc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000595505639 478825403 /nfs/dbraw/zinc/82/54/03/478825403.db2.gz WUGPKCZEYDRFDM-KRWDZBQOSA-N 1 0 337.395 2.660 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592214314 478828638 /nfs/dbraw/zinc/82/86/38/478828638.db2.gz IQJLDUZACVHAOA-RKDXNWHRSA-N 1 0 348.325 2.539 20 5 EFBDRO O=C(CC[NH2+]CC1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000564854371 478833599 /nfs/dbraw/zinc/83/35/99/478833599.db2.gz LGRNGXSEYVQQFA-UHFFFAOYSA-N 1 0 339.395 2.928 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000595535943 478839505 /nfs/dbraw/zinc/83/95/05/478839505.db2.gz KEKSLDAHOMCING-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000583391874 478840880 /nfs/dbraw/zinc/84/08/80/478840880.db2.gz KPHPCRSOTRXHAF-AWEZNQCLSA-N 1 0 337.395 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255484 478842411 /nfs/dbraw/zinc/84/24/11/478842411.db2.gz QDZRAKJLLMMHSW-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255210 478842474 /nfs/dbraw/zinc/84/24/74/478842474.db2.gz OSHVCQOQPDZIDN-OLZOCXBDSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592255828 478843647 /nfs/dbraw/zinc/84/36/47/478843647.db2.gz UDRJEIYNYRIGFZ-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592331768 478860978 /nfs/dbraw/zinc/86/09/78/478860978.db2.gz PIXBBPUXDVUQJV-BXUZGUMPSA-N 1 0 337.445 2.906 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566962 478861402 /nfs/dbraw/zinc/86/14/02/478861402.db2.gz PRHHIFXGXGHUMO-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)cc1SC ZINC000592356932 478867649 /nfs/dbraw/zinc/86/76/49/478867649.db2.gz LYRURLLHTOKGDR-SECBINFHSA-N 1 0 336.373 2.800 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000592372206 478869814 /nfs/dbraw/zinc/86/98/14/478869814.db2.gz PCGACMJTEPOZGA-UHFFFAOYSA-N 1 0 338.310 2.978 20 5 EFBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592380613 478875545 /nfs/dbraw/zinc/87/55/45/478875545.db2.gz OFDSPIUAEYYIGU-ABAIWWIYSA-N 1 0 332.429 2.979 20 5 EFBDRO COc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)cc1[N+](=O)[O-] ZINC000592380194 478876016 /nfs/dbraw/zinc/87/60/16/478876016.db2.gz UXUJKVXIPZRINR-UHFFFAOYSA-N 1 0 340.383 2.892 20 5 EFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592396055 478883473 /nfs/dbraw/zinc/88/34/73/478883473.db2.gz FZKIJRUNOLFYRM-YDHLFZDLSA-N 1 0 337.420 2.699 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598539368 478885626 /nfs/dbraw/zinc/88/56/26/478885626.db2.gz CXMMLUCLHMVLOS-UHFFFAOYSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598557934 478893348 /nfs/dbraw/zinc/89/33/48/478893348.db2.gz AERTXXYWMYAWFS-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558818 478893420 /nfs/dbraw/zinc/89/34/20/478893420.db2.gz UARSTYULPJIWGG-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558816 478893909 /nfs/dbraw/zinc/89/39/09/478893909.db2.gz UARSTYULPJIWGG-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598561320 478895297 /nfs/dbraw/zinc/89/52/97/478895297.db2.gz PSKKCTJEINILFB-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598559864 478895424 /nfs/dbraw/zinc/89/54/24/478895424.db2.gz IYFKMEBPCHEZQQ-MRXNPFEDSA-N 1 0 345.443 2.684 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000598562581 478896262 /nfs/dbraw/zinc/89/62/62/478896262.db2.gz XARINIFPRIBVJN-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1ccc(C[NH2+]CCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000492272145 478902980 /nfs/dbraw/zinc/90/29/80/478902980.db2.gz IFHHBNIECWZQIQ-UHFFFAOYSA-N 1 0 336.417 2.911 20 5 EFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000507212910 478909380 /nfs/dbraw/zinc/90/93/80/478909380.db2.gz NXUSBMJDTFKBEM-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000492294612 478916103 /nfs/dbraw/zinc/91/61/03/478916103.db2.gz NYQTUWYEBSPGAY-SMDDNHRTSA-N 1 0 337.807 2.739 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000492302929 478919693 /nfs/dbraw/zinc/91/96/93/478919693.db2.gz YGQIIHQLPWAUSC-IMXKFXGHSA-N 1 0 343.427 2.798 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000592514517 478924752 /nfs/dbraw/zinc/92/47/52/478924752.db2.gz QYZAKDXJRIHHKW-GDBMZVCRSA-N 1 0 341.415 2.713 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678692 478932456 /nfs/dbraw/zinc/93/24/56/478932456.db2.gz SXJYNAXHYJXTHA-CJNGLKHVSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527537 478933744 /nfs/dbraw/zinc/93/37/44/478933744.db2.gz BQTJVRWNYOASNS-LBPRGKRZSA-N 1 0 334.372 2.509 20 5 EFBDRO C[NH2+]C1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CCC1 ZINC000598634194 478936410 /nfs/dbraw/zinc/93/64/10/478936410.db2.gz SMFBAJVINSHGPT-UHFFFAOYSA-N 1 0 327.768 2.589 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCO ZINC000595695897 478940040 /nfs/dbraw/zinc/94/00/40/478940040.db2.gz IYKGEYXYXBUJNW-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1CO ZINC000598647054 478941915 /nfs/dbraw/zinc/94/19/15/478941915.db2.gz MXNXRVKKYCKYHA-TZMCWYRMSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568648 478944067 /nfs/dbraw/zinc/94/40/67/478944067.db2.gz NHDQOFLVAHSAMR-CHWSQXEVSA-N 1 0 349.456 2.866 20 5 EFBDRO COc1ccc(F)c(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000598647521 478944667 /nfs/dbraw/zinc/94/46/67/478944667.db2.gz NGHJXCOVBYBSLO-UHFFFAOYSA-N 1 0 336.319 2.747 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595702034 478946473 /nfs/dbraw/zinc/94/64/73/478946473.db2.gz JEXAYTZPAUESQV-CQSZACIVSA-N 1 0 334.420 2.609 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702197 478946589 /nfs/dbraw/zinc/94/65/89/478946589.db2.gz SWBOUURCNRYSKA-BXUZGUMPSA-N 1 0 326.368 2.725 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598666893 478954223 /nfs/dbraw/zinc/95/42/23/478954223.db2.gz BAINFSHZEVDEQX-BZNIZROVSA-N 1 0 331.397 2.763 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217514 478954382 /nfs/dbraw/zinc/95/43/82/478954382.db2.gz LZWOEVSQWVCESN-DYVFJYSZSA-N 1 0 339.395 2.877 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670619 478956024 /nfs/dbraw/zinc/95/60/24/478956024.db2.gz VKSQXJNTAVOKCZ-FZKQIMNGSA-N 1 0 331.416 2.846 20 5 EFBDRO Cc1cccc(C(=O)NCC2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000583922947 478972060 /nfs/dbraw/zinc/97/20/60/478972060.db2.gz LSGALGVHCMKFBE-UHFFFAOYSA-N 1 0 341.358 2.610 20 5 EFBDRO Cc1noc(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595750057 478974856 /nfs/dbraw/zinc/97/48/56/478974856.db2.gz RFLIDZXFCYXQJC-MRXNPFEDSA-N 1 0 344.415 2.640 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598706718 478982884 /nfs/dbraw/zinc/98/28/84/478982884.db2.gz ULUQMSGIYNNEAE-MRXNPFEDSA-N 1 0 348.424 2.571 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000583979101 478983831 /nfs/dbraw/zinc/98/38/31/478983831.db2.gz MFYZDHYWZMKKMR-KSSFIOAISA-N 1 0 346.431 2.783 20 5 EFBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000492444701 478992445 /nfs/dbraw/zinc/99/24/45/478992445.db2.gz SVJDDCOLMZHTMY-NSHDSACASA-N 1 0 347.346 2.750 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828125 479021270 /nfs/dbraw/zinc/02/12/70/479021270.db2.gz HZUQBVWUQHXEGJ-HUUCEWRRSA-N 1 0 331.416 2.909 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828112 479021407 /nfs/dbraw/zinc/02/14/07/479021407.db2.gz HZUQBVWUQHXEGJ-CABCVRRESA-N 1 0 331.416 2.909 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000601849878 479040040 /nfs/dbraw/zinc/04/00/40/479040040.db2.gz LDXYXHOKUNMNSF-OAHLLOKOSA-N 1 0 345.424 2.969 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000601852150 479041293 /nfs/dbraw/zinc/04/12/93/479041293.db2.gz XHMJWNXBNYAXQB-CQSZACIVSA-N 1 0 329.356 2.501 20 5 EFBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)CO ZINC000595875110 479044498 /nfs/dbraw/zinc/04/44/98/479044498.db2.gz PLZXCXRRFUIHFI-SJCJKPOMSA-N 1 0 331.372 2.700 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1=CCSC1 ZINC000595890156 479054664 /nfs/dbraw/zinc/05/46/64/479054664.db2.gz YSPBZSLPPNNRQQ-UHFFFAOYSA-N 1 0 335.429 2.837 20 5 EFBDRO CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828326 479062312 /nfs/dbraw/zinc/06/23/12/479062312.db2.gz GPNQHNWUCQXAJK-CYBMUJFWSA-N 1 0 325.796 2.805 20 5 EFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000592828751 479063140 /nfs/dbraw/zinc/06/31/40/479063140.db2.gz JAABYUDLYUTFQX-AWEZNQCLSA-N 1 0 339.823 2.733 20 5 EFBDRO CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828134 479063348 /nfs/dbraw/zinc/06/33/48/479063348.db2.gz CWPIJPXQARFJPZ-MRXNPFEDSA-N 1 0 347.415 2.500 20 5 EFBDRO CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@H+](C)C1 ZINC000592829260 479063518 /nfs/dbraw/zinc/06/35/18/479063518.db2.gz MGCAZIDDVXRTDZ-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832190 479063912 /nfs/dbraw/zinc/06/39/12/479063912.db2.gz STERVWYWZOZVQH-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000592832159 479064152 /nfs/dbraw/zinc/06/41/52/479064152.db2.gz RWTFOKLTJAPZEE-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@H+](C)C1 ZINC000592832709 479064250 /nfs/dbraw/zinc/06/42/50/479064250.db2.gz VLBVEZSVMLGFNW-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO CC1(C)C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000595909425 479064744 /nfs/dbraw/zinc/06/47/44/479064744.db2.gz NINQILOAWZNHPK-GOSISDBHSA-N 1 0 327.384 2.672 20 5 EFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CC1(C)C ZINC000595909447 479064873 /nfs/dbraw/zinc/06/48/73/479064873.db2.gz NZVAROSOYVWRBL-LBPRGKRZSA-N 1 0 333.388 2.871 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493613167 479081620 /nfs/dbraw/zinc/08/16/20/479081620.db2.gz KJYDVZBQTHEQQP-MBPXDVQNSA-N 1 0 329.400 2.693 20 5 EFBDRO CC(C)(NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000595958111 479082388 /nfs/dbraw/zinc/08/23/88/479082388.db2.gz JCESOKWPKBHPRM-UHFFFAOYSA-N 1 0 339.395 2.906 20 5 EFBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000598914459 479083085 /nfs/dbraw/zinc/08/30/85/479083085.db2.gz FHWDTBYOKDAWKZ-ZDUSSCGKSA-N 1 0 326.784 2.887 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000598914123 479083316 /nfs/dbraw/zinc/08/33/16/479083316.db2.gz ZDZVXXCRXJXXPH-ZJUUUORDSA-N 1 0 326.784 2.697 20 5 EFBDRO CN(CC(C)(C)[NH3+])C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595962379 479083503 /nfs/dbraw/zinc/08/35/03/479083503.db2.gz QKFZRCGCTFQAHW-UHFFFAOYSA-N 1 0 331.825 2.536 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598913999 479083487 /nfs/dbraw/zinc/08/34/87/479083487.db2.gz URXDFMAIYORVHW-NEPJUHHUSA-N 1 0 336.367 2.587 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000598915373 479084418 /nfs/dbraw/zinc/08/44/18/479084418.db2.gz KRILTPOUCGFMFC-UHFFFAOYSA-N 1 0 338.795 2.856 20 5 EFBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000598916251 479084534 /nfs/dbraw/zinc/08/45/34/479084534.db2.gz UUNPHPIDAXMZDD-CABZTGNLSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000598916001 479084689 /nfs/dbraw/zinc/08/46/89/479084689.db2.gz SMIPJKQDFBRZEM-VHSXEESVSA-N 1 0 326.784 2.758 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914534 479084780 /nfs/dbraw/zinc/08/47/80/479084780.db2.gz GZAXFWDFGRPRQD-NXEZZACHSA-N 1 0 326.784 2.839 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000598916981 479084789 /nfs/dbraw/zinc/08/47/89/479084789.db2.gz LAXFPGIZLOMAJM-CQSZACIVSA-N 1 0 336.367 2.730 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914529 479085109 /nfs/dbraw/zinc/08/51/09/479085109.db2.gz GYMUWZDSHCLRNF-CABZTGNLSA-N 1 0 326.784 2.887 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595974369 479086643 /nfs/dbraw/zinc/08/66/43/479086643.db2.gz VCNSRESONDPBSR-IUODEOHRSA-N 1 0 334.420 2.616 20 5 EFBDRO CCc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596054192 479110227 /nfs/dbraw/zinc/11/02/27/479110227.db2.gz KRPUTGHOFBZLIF-HNNXBMFYSA-N 1 0 330.388 2.973 20 5 EFBDRO COc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058080 479112595 /nfs/dbraw/zinc/11/25/95/479112595.db2.gz CDRLODVMFNUQIA-CQSZACIVSA-N 1 0 349.431 2.521 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOCCF)cs2)c1 ZINC000596057428 479112800 /nfs/dbraw/zinc/11/28/00/479112800.db2.gz QIDOALKMGQMNLL-UHFFFAOYSA-N 1 0 325.365 2.794 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598988314 479116030 /nfs/dbraw/zinc/11/60/30/479116030.db2.gz OFHXEEJCJFFBIN-AWEZNQCLSA-N 1 0 343.374 2.813 20 5 EFBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065592 479117259 /nfs/dbraw/zinc/11/72/59/479117259.db2.gz TVCQMKPZYVNYPI-MRXNPFEDSA-N 1 0 335.404 2.718 20 5 EFBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])s1 ZINC000596070682 479120821 /nfs/dbraw/zinc/12/08/21/479120821.db2.gz RMDKXCCYFAAQTL-UHFFFAOYSA-N 1 0 347.444 2.724 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000596072822 479121417 /nfs/dbraw/zinc/12/14/17/479121417.db2.gz AAKILDAMTYSCRJ-ZDUSSCGKSA-N 1 0 335.433 2.550 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000599006019 479122782 /nfs/dbraw/zinc/12/27/82/479122782.db2.gz BBJVMSZKSHWRTF-TXEJJXNPSA-N 1 0 332.356 2.724 20 5 EFBDRO Cc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000596075335 479123434 /nfs/dbraw/zinc/12/34/34/479123434.db2.gz MIYLGKIJKNSOBW-ZDUSSCGKSA-N 1 0 325.434 2.656 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548039800 479123530 /nfs/dbraw/zinc/12/35/30/479123530.db2.gz CWMLTKYDYNCQJQ-AWEZNQCLSA-N 1 0 349.434 2.753 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076906 479125249 /nfs/dbraw/zinc/12/52/49/479125249.db2.gz RXHLDMWAFQYKPA-ZDUSSCGKSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596081080 479126231 /nfs/dbraw/zinc/12/62/31/479126231.db2.gz CWIYSCLDSVZEJU-GUTXKFCHSA-N 1 0 346.431 2.535 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596085947 479129080 /nfs/dbraw/zinc/12/90/80/479129080.db2.gz QDLLRVJTISGNEO-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000573717766 479129474 /nfs/dbraw/zinc/12/94/74/479129474.db2.gz BKVFBHLVWSVJRB-OAHLLOKOSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000584428335 479131884 /nfs/dbraw/zinc/13/18/84/479131884.db2.gz RCACJXKGNIWARX-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596092018 479133488 /nfs/dbraw/zinc/13/34/88/479133488.db2.gz HOUIEMVZANOHLI-UHFFFAOYSA-N 1 0 347.444 2.724 20 5 EFBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+](C)C)cc1 ZINC000596093566 479135552 /nfs/dbraw/zinc/13/55/52/479135552.db2.gz VYRARXPEHRYFSU-KRWDZBQOSA-N 1 0 342.399 2.717 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000599043819 479136414 /nfs/dbraw/zinc/13/64/14/479136414.db2.gz MKLNOVHUCULDKD-ZDUSSCGKSA-N 1 0 348.447 2.875 20 5 EFBDRO Cc1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000602016519 479138151 /nfs/dbraw/zinc/13/81/51/479138151.db2.gz FGRUQOMVUBAFMG-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596099607 479138521 /nfs/dbraw/zinc/13/85/21/479138521.db2.gz UEDUVFPQMLRHHQ-CQSZACIVSA-N 1 0 334.420 2.760 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596103954 479140583 /nfs/dbraw/zinc/14/05/83/479140583.db2.gz IEXUJFWCJRRGGN-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO CCn1nncc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599061209 479144622 /nfs/dbraw/zinc/14/46/22/479144622.db2.gz LLLZXTOVQHEYHG-CJNGLKHVSA-N 1 0 329.404 2.707 20 5 EFBDRO O=c1[nH]ccc(Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000596111934 479144778 /nfs/dbraw/zinc/14/47/78/479144778.db2.gz DTVIVCVNIABHBF-UHFFFAOYSA-N 1 0 346.412 2.988 20 5 EFBDRO CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599061212 479144835 /nfs/dbraw/zinc/14/48/35/479144835.db2.gz LLLZXTOVQHEYHG-CZUORRHYSA-N 1 0 329.404 2.707 20 5 EFBDRO Nc1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1[N+](=O)[O-] ZINC000596112703 479144921 /nfs/dbraw/zinc/14/49/21/479144921.db2.gz SIVWFFZMBPVYJS-AWEZNQCLSA-N 1 0 333.436 2.664 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599067240 479145927 /nfs/dbraw/zinc/14/59/27/479145927.db2.gz ZFKJNRAXTVLRFU-SMDDNHRTSA-N 1 0 325.359 2.901 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599067238 479146199 /nfs/dbraw/zinc/14/61/99/479146199.db2.gz ZFKJNRAXTVLRFU-FZMZJTMJSA-N 1 0 325.359 2.901 20 5 EFBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068715 479147020 /nfs/dbraw/zinc/14/70/20/479147020.db2.gz ONWVBFILEPZBFV-ZFWWWQNUSA-N 1 0 337.420 2.699 20 5 EFBDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000593054882 479147722 /nfs/dbraw/zinc/14/77/22/479147722.db2.gz HLGDEVDWWIVQBS-INIZCTEOSA-N 1 0 335.404 2.813 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593056064 479149309 /nfs/dbraw/zinc/14/93/09/479149309.db2.gz XDEBNGVNGCPZTM-HNNXBMFYSA-N 1 0 338.404 2.872 20 5 EFBDRO NC(=O)c1cc(NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596120708 479149400 /nfs/dbraw/zinc/14/94/00/479149400.db2.gz SEGZIKJBGVXZPT-UHFFFAOYSA-N 1 0 334.420 2.762 20 5 EFBDRO Cc1ncccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599073205 479149977 /nfs/dbraw/zinc/14/99/77/479149977.db2.gz MQSUKPRGCPSQPW-LBPRGKRZSA-N 1 0 328.372 2.805 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000599075019 479152110 /nfs/dbraw/zinc/15/21/10/479152110.db2.gz ZWMZDIIHUZNNFK-JGFGOQIWSA-N 1 0 329.356 2.876 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596127287 479153571 /nfs/dbraw/zinc/15/35/71/479153571.db2.gz WKVKLVPWQGQYRU-ZIAGYGMSSA-N 1 0 334.420 2.786 20 5 EFBDRO O=c1[nH]ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596130127 479155375 /nfs/dbraw/zinc/15/53/75/479155375.db2.gz VIQXHGVHMITTBL-AWEZNQCLSA-N 1 0 328.372 2.772 20 5 EFBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])s1 ZINC000596130763 479156020 /nfs/dbraw/zinc/15/60/20/479156020.db2.gz FWPFJSGKDGSSFX-SECBINFHSA-N 1 0 339.446 2.711 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000593070789 479156150 /nfs/dbraw/zinc/15/61/50/479156150.db2.gz QHKUNJRBCMAAQE-INIZCTEOSA-N 1 0 349.406 2.753 20 5 EFBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596130643 479156418 /nfs/dbraw/zinc/15/64/18/479156418.db2.gz VILWKZBZTFCJDO-LBPRGKRZSA-N 1 0 325.434 2.878 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144024 479161238 /nfs/dbraw/zinc/16/12/38/479161238.db2.gz ACNLSSSAJWGXIK-HNNXBMFYSA-N 1 0 342.399 2.654 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599101780 479161818 /nfs/dbraw/zinc/16/18/18/479161818.db2.gz BMYAEFWUQIZJGY-UHFFFAOYSA-N 1 0 325.796 2.549 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593079997 479161919 /nfs/dbraw/zinc/16/19/19/479161919.db2.gz KAVKYISGVBAMHJ-LLVKDONJSA-N 1 0 333.388 2.853 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000593081875 479163350 /nfs/dbraw/zinc/16/33/50/479163350.db2.gz SOANRWUNINFWFQ-UHFFFAOYSA-N 1 0 333.388 2.854 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H](C)CO)CC1 ZINC000593085721 479164017 /nfs/dbraw/zinc/16/40/17/479164017.db2.gz VYGBMHWUTBEJTG-CQSZACIVSA-N 1 0 349.431 2.572 20 5 EFBDRO CN(c1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000596148160 479164339 /nfs/dbraw/zinc/16/43/39/479164339.db2.gz YUDIVKYDVQMJHP-OAHLLOKOSA-N 1 0 342.399 2.796 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000593094609 479171023 /nfs/dbraw/zinc/17/10/23/479171023.db2.gz KREZYYZNMPYJPV-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593111591 479180617 /nfs/dbraw/zinc/18/06/17/479180617.db2.gz GXKWQHVCPJVGDV-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CN(CC[NH+]1CCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593113751 479182081 /nfs/dbraw/zinc/18/20/81/479182081.db2.gz UWFZLOCNOPTWEJ-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000602997020 479185926 /nfs/dbraw/zinc/18/59/26/479185926.db2.gz AWBSXKISGUDKJE-LXZKKBNFSA-N 1 0 347.415 2.549 20 5 EFBDRO CC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596191724 479189974 /nfs/dbraw/zinc/18/99/74/479189974.db2.gz CWVUUIRORCBDMB-OAHLLOKOSA-N 1 0 342.399 2.796 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000556750340 479195130 /nfs/dbraw/zinc/19/51/30/479195130.db2.gz IHPPOMIIMIIKPO-OAHLLOKOSA-N 1 0 348.424 2.716 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217297 479205087 /nfs/dbraw/zinc/20/50/87/479205087.db2.gz BWHDDYYDBGLTOV-WFASDCNBSA-N 1 0 328.372 2.628 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCC3)C1)OCCO2 ZINC000610860092 479212584 /nfs/dbraw/zinc/21/25/84/479212584.db2.gz KDTZUSMHIPZILI-CYBMUJFWSA-N 1 0 334.372 2.557 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000610860076 479212911 /nfs/dbraw/zinc/21/29/11/479212911.db2.gz DHAMSNSLHSDHLQ-CQSZACIVSA-N 1 0 348.399 2.947 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000584730368 479222442 /nfs/dbraw/zinc/22/24/42/479222442.db2.gz QNSULSQFXHWDHG-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257480 479226798 /nfs/dbraw/zinc/22/67/98/479226798.db2.gz KZUOLKNHEBDRGC-AWEZNQCLSA-N 1 0 334.420 2.616 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1C(F)(F)F ZINC000596259747 479228342 /nfs/dbraw/zinc/22/83/42/479228342.db2.gz VZWFLXUGEQHPHG-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189618 479229860 /nfs/dbraw/zinc/22/98/60/479229860.db2.gz VUBUMGYUUGUTEC-VOAKCMCISA-N 1 0 337.395 2.777 20 5 EFBDRO CSc1cccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189292 479229967 /nfs/dbraw/zinc/22/99/67/479229967.db2.gz KKEPZFLNYYVFLK-GRYCIOLGSA-N 1 0 337.445 2.870 20 5 EFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000596270320 479232412 /nfs/dbraw/zinc/23/24/12/479232412.db2.gz ZWJMSNIKZSMFEA-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574397581 479279851 /nfs/dbraw/zinc/27/98/51/479279851.db2.gz VISSPDDMSGHNFF-RHSMWYFYSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596427152 479291491 /nfs/dbraw/zinc/29/14/91/479291491.db2.gz AEDRMUOFIHQGAK-ZDUSSCGKSA-N 1 0 329.404 2.534 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611151264 479295821 /nfs/dbraw/zinc/29/58/21/479295821.db2.gz WLJJALLJCNYZGP-AWEZNQCLSA-N 1 0 344.415 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(CCn2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000603194638 479298278 /nfs/dbraw/zinc/29/82/78/479298278.db2.gz HHZFSJXCHLJAAX-UHFFFAOYSA-N 1 0 329.404 2.851 20 5 EFBDRO CC(C)[NH+]1CCN(C2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000611166132 479299949 /nfs/dbraw/zinc/29/99/49/479299949.db2.gz LHBXGJYVJOLCJF-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000596461229 479304845 /nfs/dbraw/zinc/30/48/45/479304845.db2.gz DUWUIIHQOWWLQZ-MRXNPFEDSA-N 1 0 326.400 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)c(Cl)c1 ZINC000603214533 479306938 /nfs/dbraw/zinc/30/69/38/479306938.db2.gz FEIBTYUQWWFETK-UHFFFAOYSA-N 1 0 349.822 2.916 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000611195909 479307935 /nfs/dbraw/zinc/30/79/35/479307935.db2.gz MSFRMSIAUKNNNU-CYBMUJFWSA-N 1 0 342.399 2.777 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478440 479311851 /nfs/dbraw/zinc/31/18/51/479311851.db2.gz MQUZUAMPKGEYOD-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611224810 479315551 /nfs/dbraw/zinc/31/55/51/479315551.db2.gz XHUKLXOHJUAOGM-ZDUSSCGKSA-N 1 0 342.399 2.746 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611223449 479315781 /nfs/dbraw/zinc/31/57/81/479315781.db2.gz RXWSVXJXLLCPME-UHFFFAOYSA-N 1 0 330.388 2.557 20 5 EFBDRO COCCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599507571 479316700 /nfs/dbraw/zinc/31/67/00/479316700.db2.gz ZFQULDKFPCCZPN-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000596514670 479324112 /nfs/dbraw/zinc/32/41/12/479324112.db2.gz XTZATFXFVOWLGE-QGZVFWFLSA-N 1 0 340.383 2.991 20 5 EFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1Cc2ccccc2C1 ZINC000611264802 479328227 /nfs/dbraw/zinc/32/82/27/479328227.db2.gz KAWPSWDUKGRAFS-UHFFFAOYSA-N 1 0 340.379 2.965 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000593408528 479328832 /nfs/dbraw/zinc/32/88/32/479328832.db2.gz PFDIIZXSFRFTJC-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602433536 479329996 /nfs/dbraw/zinc/32/99/96/479329996.db2.gz MMECTUUUWKOPCU-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN(Cc1cc2c(cn1)OCCO2)C1CC1 ZINC000602439237 479332950 /nfs/dbraw/zinc/33/29/50/479332950.db2.gz JPAVDURADGPUIQ-UHFFFAOYSA-N 1 0 341.367 2.926 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000574729518 479337687 /nfs/dbraw/zinc/33/76/87/479337687.db2.gz RNIXLFCOVPRREV-YOEHRIQHSA-N 1 0 347.415 2.731 20 5 EFBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450672 479339177 /nfs/dbraw/zinc/33/91/77/479339177.db2.gz SIPDKMSYVQHTQX-UHFFFAOYSA-N 1 0 334.294 2.999 20 5 EFBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559583 479339306 /nfs/dbraw/zinc/33/93/06/479339306.db2.gz ZMTHWTRYGHMPBN-AWEZNQCLSA-N 1 0 329.404 2.577 20 5 EFBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCC1 ZINC000611335724 479350294 /nfs/dbraw/zinc/35/02/94/479350294.db2.gz PCSSAHZIPQSOPD-INIZCTEOSA-N 1 0 331.416 2.564 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593464023 479352043 /nfs/dbraw/zinc/35/20/43/479352043.db2.gz HQSHFXIKKKCSHM-UHFFFAOYSA-N 1 0 325.384 2.515 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCc2nc(C3CC3)ncc2C1 ZINC000599617185 479354712 /nfs/dbraw/zinc/35/47/12/479354712.db2.gz GDKWQJIJMVVMFK-UHFFFAOYSA-N 1 0 340.383 2.699 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000586790673 479355376 /nfs/dbraw/zinc/35/53/76/479355376.db2.gz NCFBJXPRRBYQJJ-LXZKKBNFSA-N 1 0 344.415 2.558 20 5 EFBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000593483850 479361690 /nfs/dbraw/zinc/36/16/90/479361690.db2.gz JVDGSEMIMIMNQD-RBSFLKMASA-N 1 0 343.431 2.816 20 5 EFBDRO CC[N@H+](CCCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000593489398 479364225 /nfs/dbraw/zinc/36/42/25/479364225.db2.gz SXAZINLTXDNFBF-UHFFFAOYSA-N 1 0 346.435 2.516 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c(O)cccc2C1 ZINC000599644920 479366130 /nfs/dbraw/zinc/36/61/30/479366130.db2.gz AZXCDVGJBCJFBO-GFCCVEGCSA-N 1 0 341.367 2.686 20 5 EFBDRO COc1cccc2c1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000599645523 479366240 /nfs/dbraw/zinc/36/62/40/479366240.db2.gz PDZYKTOGAIBCBZ-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO COC(=O)c1cc(-c2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000596635104 479366422 /nfs/dbraw/zinc/36/64/22/479366422.db2.gz DYCWCWMWSMZLGA-UHFFFAOYSA-N 1 0 344.367 2.989 20 5 EFBDRO Cc1ncc(-c2ccccc2CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000596639156 479367544 /nfs/dbraw/zinc/36/75/44/479367544.db2.gz JIVGRXAWNCNFAW-UHFFFAOYSA-N 1 0 326.400 2.713 20 5 EFBDRO C[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574891901 479367661 /nfs/dbraw/zinc/36/76/61/479367661.db2.gz WLNHRIFCSNQDTJ-CQSZACIVSA-N 1 0 333.432 2.937 20 5 EFBDRO O=C(CC[N@H+]1CCc2c(O)cccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000599649066 479367903 /nfs/dbraw/zinc/36/79/03/479367903.db2.gz XNLJCLGKCQAHND-UHFFFAOYSA-N 1 0 341.367 2.687 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000602494667 479368841 /nfs/dbraw/zinc/36/88/41/479368841.db2.gz HFFRCDSHSLJANT-QWHCGFSZSA-N 1 0 335.379 2.586 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000587313246 479370329 /nfs/dbraw/zinc/37/03/29/479370329.db2.gz DHBVLKRMKHTSBX-CQSZACIVSA-N 1 0 347.415 2.754 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccnc1 ZINC000602502057 479370476 /nfs/dbraw/zinc/37/04/76/479370476.db2.gz KMZZAWTZKLNCJC-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO O=[N+]([O-])c1ccsc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000611412181 479371700 /nfs/dbraw/zinc/37/17/00/479371700.db2.gz BBVZWQBYJJXYMU-UHFFFAOYSA-N 1 0 347.444 2.676 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000611413837 479372068 /nfs/dbraw/zinc/37/20/68/479372068.db2.gz ZKPKAQBIWPOCJG-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602505528 479372202 /nfs/dbraw/zinc/37/22/02/479372202.db2.gz LWDOBVHTSBBLJL-UHFFFAOYSA-N 1 0 334.294 2.902 20 5 EFBDRO CN(C)C(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602508450 479373475 /nfs/dbraw/zinc/37/34/75/479373475.db2.gz CFZXVMZQRDQRSW-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO Cc1cnc(N(C)CCC[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC000603404342 479373980 /nfs/dbraw/zinc/37/39/80/479373980.db2.gz ZGVZLURMWIFQAU-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000603404439 479374137 /nfs/dbraw/zinc/37/41/37/479374137.db2.gz ZGSGJLSGPOSXJN-NSHDSACASA-N 1 0 325.434 2.654 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000593516105 479374519 /nfs/dbraw/zinc/37/45/19/479374519.db2.gz LZZMKCZKHOUQIG-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO COc1c(C(=O)N(C)CCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000603406103 479374833 /nfs/dbraw/zinc/37/48/33/479374833.db2.gz GFRSOLDJQBJPES-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC(C)C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000602511223 479374792 /nfs/dbraw/zinc/37/47/92/479374792.db2.gz NMRJDGXKFZUIJV-KRWDZBQOSA-N 1 0 349.479 2.525 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000603406165 479374926 /nfs/dbraw/zinc/37/49/26/479374926.db2.gz HRPHJFFFFHMJJO-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO COc1cc(C(=O)N(C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000603407445 479375025 /nfs/dbraw/zinc/37/50/25/479375025.db2.gz SVGSCALQOYYZHP-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602513178 479375881 /nfs/dbraw/zinc/37/58/81/479375881.db2.gz AGSBLIIREBCEIC-CHWSQXEVSA-N 1 0 332.404 2.946 20 5 EFBDRO Cc1csc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602512313 479376280 /nfs/dbraw/zinc/37/62/80/479376280.db2.gz XMFPWPFSHKKXPT-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000587973641 479378276 /nfs/dbraw/zinc/37/82/76/479378276.db2.gz BGZGHUNZGDJWSR-ZDUSSCGKSA-N 1 0 333.388 2.586 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000587991830 479380075 /nfs/dbraw/zinc/38/00/75/479380075.db2.gz BUGMYYSYXARAOY-UHFFFAOYSA-N 1 0 348.403 2.595 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000599668537 479381361 /nfs/dbraw/zinc/38/13/61/479381361.db2.gz LBOSAHPZTQSSCS-GOSISDBHSA-N 1 0 340.379 2.910 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC3CCCC3)CC2)cn1 ZINC000602525744 479381802 /nfs/dbraw/zinc/38/18/02/479381802.db2.gz ANILAGUJLJRIPG-UHFFFAOYSA-N 1 0 334.420 2.507 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599673615 479383834 /nfs/dbraw/zinc/38/38/34/479383834.db2.gz RRBODXODOAORTA-ZDUSSCGKSA-N 1 0 337.420 2.713 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(CC(F)F)CC3)nc2c1 ZINC000602531464 479384415 /nfs/dbraw/zinc/38/44/15/479384415.db2.gz ISMQLBHWGOIWRJ-UHFFFAOYSA-N 1 0 340.330 2.555 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599673661 479384321 /nfs/dbraw/zinc/38/43/21/479384321.db2.gz SXRHSVAHTKZYBS-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603431885 479385148 /nfs/dbraw/zinc/38/51/48/479385148.db2.gz HXVPNKRTXHXXAD-CYBMUJFWSA-N 1 0 334.420 2.700 20 5 EFBDRO [NH3+]Cc1cccc2c1N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000602538927 479388000 /nfs/dbraw/zinc/38/80/00/479388000.db2.gz FJDMGANJWDZTHV-UHFFFAOYSA-N 1 0 325.368 2.575 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602541266 479388608 /nfs/dbraw/zinc/38/86/08/479388608.db2.gz PJEMRULYCKDARX-CMPLNLGQSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCSCCCO ZINC000602540174 479388911 /nfs/dbraw/zinc/38/89/11/479388911.db2.gz WUTWUGBNLZIXEJ-UHFFFAOYSA-N 1 0 338.351 2.819 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541215 479388921 /nfs/dbraw/zinc/38/89/21/479388921.db2.gz OGNGYNNAKWAOSF-WDEREUQCSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541494 479389159 /nfs/dbraw/zinc/38/91/59/479389159.db2.gz PNGOVZMWKHCKNA-GXFFZTMASA-N 1 0 345.321 2.503 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545189 479391207 /nfs/dbraw/zinc/39/12/07/479391207.db2.gz NSWQEHQGNIIDTL-ZDUSSCGKSA-N 1 0 332.404 2.946 20 5 EFBDRO O=C(NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000602552053 479393632 /nfs/dbraw/zinc/39/36/32/479393632.db2.gz QUCJLFVYBHCBKT-UHFFFAOYSA-N 1 0 345.374 2.686 20 5 EFBDRO COc1cc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)ccn1 ZINC000602554896 479393691 /nfs/dbraw/zinc/39/36/91/479393691.db2.gz ZUGIMTGGXCYXET-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000593599978 479398964 /nfs/dbraw/zinc/39/89/64/479398964.db2.gz FCRMKFZQNWKWBY-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000602566496 479400693 /nfs/dbraw/zinc/40/06/93/479400693.db2.gz DOQOVDPNSFOQRI-LBPRGKRZSA-N 1 0 340.305 2.984 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000602568362 479401046 /nfs/dbraw/zinc/40/10/46/479401046.db2.gz LZRAUSPPJYODPB-ZDUSSCGKSA-N 1 0 348.321 2.899 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000602573559 479403123 /nfs/dbraw/zinc/40/31/23/479403123.db2.gz RYDNERRHKPBPNO-GFCCVEGCSA-N 1 0 336.335 2.571 20 5 EFBDRO C[C@H](CO)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576379 479405752 /nfs/dbraw/zinc/40/57/52/479405752.db2.gz BLOZACBBDPCVCK-QMMMGPOBSA-N 1 0 337.239 2.917 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCCO1 ZINC000602587087 479412719 /nfs/dbraw/zinc/41/27/19/479412719.db2.gz ONYCBELBWIMROY-CZUORRHYSA-N 1 0 334.420 2.506 20 5 EFBDRO Cc1cccc(C)c1NC(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602594086 479414968 /nfs/dbraw/zinc/41/49/68/479414968.db2.gz RGEUZXBRKQEVFK-UHFFFAOYSA-N 1 0 327.384 2.982 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602600356 479418565 /nfs/dbraw/zinc/41/85/65/479418565.db2.gz IKKWSZSTIKXCQX-JSGCOSHPSA-N 1 0 339.351 2.573 20 5 EFBDRO CC(C)OCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602601333 479419320 /nfs/dbraw/zinc/41/93/20/479419320.db2.gz JWCJGIHWNONKGV-UHFFFAOYSA-N 1 0 336.436 2.753 20 5 EFBDRO CO[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000602605458 479419811 /nfs/dbraw/zinc/41/98/11/479419811.db2.gz REWXUQHSGRMGRI-INIZCTEOSA-N 1 0 342.823 2.822 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588623157 479422695 /nfs/dbraw/zinc/42/26/95/479422695.db2.gz NAZZELYXOBSRNW-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593688404 479424195 /nfs/dbraw/zinc/42/41/95/479424195.db2.gz HVLOSLWDJFIQQH-YQQAZPJKSA-N 1 0 345.443 2.764 20 5 EFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1nccs1 ZINC000602613823 479424396 /nfs/dbraw/zinc/42/43/96/479424396.db2.gz QKWAOUWASZDDME-LBPRGKRZSA-N 1 0 347.444 2.808 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593688402 479424554 /nfs/dbraw/zinc/42/45/54/479424554.db2.gz HVLOSLWDJFIQQH-UXLLHSPISA-N 1 0 345.443 2.764 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593698187 479428051 /nfs/dbraw/zinc/42/80/51/479428051.db2.gz ZJIVIEBVLHVKTP-INCBCAAFSA-N 1 0 330.384 2.739 20 5 EFBDRO COC(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602621892 479429138 /nfs/dbraw/zinc/42/91/38/479429138.db2.gz FSYYENJRKJMUAU-UHFFFAOYSA-N 1 0 332.278 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000611617999 479430737 /nfs/dbraw/zinc/43/07/37/479430737.db2.gz XHDUKOFLMSOPSJ-AWEZNQCLSA-N 1 0 333.413 2.835 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-] ZINC000593723417 479435005 /nfs/dbraw/zinc/43/50/05/479435005.db2.gz NCYRVGVYMDBJLJ-CHWSQXEVSA-N 1 0 335.404 2.513 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-] ZINC000593723420 479435171 /nfs/dbraw/zinc/43/51/71/479435171.db2.gz NCYRVGVYMDBJLJ-STQMWFEESA-N 1 0 335.404 2.513 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575355874 479435541 /nfs/dbraw/zinc/43/55/41/479435541.db2.gz MVPFONJSZXZXSA-JSGCOSHPSA-N 1 0 336.413 2.617 20 5 EFBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000603845102 479436123 /nfs/dbraw/zinc/43/61/23/479436123.db2.gz OVQFNSCQRJIJJA-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733939 479437609 /nfs/dbraw/zinc/43/76/09/479437609.db2.gz OOXVVXVBAYXOSJ-SWLSCSKDSA-N 1 0 345.403 2.594 20 5 EFBDRO C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CC[NH3+] ZINC000593733938 479437948 /nfs/dbraw/zinc/43/79/48/479437948.db2.gz OOXVVXVBAYXOSJ-IUODEOHRSA-N 1 0 345.403 2.594 20 5 EFBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCOC1 ZINC000603854724 479438623 /nfs/dbraw/zinc/43/86/23/479438623.db2.gz MWLBZWXYUFLPGI-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCOC1 ZINC000603854725 479439159 /nfs/dbraw/zinc/43/91/59/479439159.db2.gz MWLBZWXYUFLPGI-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CCOC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602642179 479442593 /nfs/dbraw/zinc/44/25/93/479442593.db2.gz IJDVLUUWZRRHJH-MRXNPFEDSA-N 1 0 336.436 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)cn1 ZINC000602642371 479442995 /nfs/dbraw/zinc/44/29/95/479442995.db2.gz KQMCCUYCYIBTEF-LBPRGKRZSA-N 1 0 340.374 2.984 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000602641478 479443240 /nfs/dbraw/zinc/44/32/40/479443240.db2.gz SCFBGFRBQQLJGK-FZMZJTMJSA-N 1 0 348.321 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000611700136 479449152 /nfs/dbraw/zinc/44/91/52/479449152.db2.gz DPAFNCGVRMGFMW-UHFFFAOYSA-N 1 0 327.388 2.824 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704971 479449597 /nfs/dbraw/zinc/44/95/97/479449597.db2.gz DXHFEGOEFHWWST-ZDUSSCGKSA-N 1 0 329.404 2.706 20 5 EFBDRO CC1CC[NH+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611701964 479449842 /nfs/dbraw/zinc/44/98/42/479449842.db2.gz SVWVOAZCFNGFPN-UHFFFAOYSA-N 1 0 343.431 2.884 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709381 479452704 /nfs/dbraw/zinc/45/27/04/479452704.db2.gz TZPKJRXJLMTWOT-ZDUSSCGKSA-N 1 0 329.404 2.636 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708526 479453101 /nfs/dbraw/zinc/45/31/01/479453101.db2.gz DTBVWGCRMVLCMM-ZDUSSCGKSA-N 1 0 343.431 2.882 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611712036 479454322 /nfs/dbraw/zinc/45/43/22/479454322.db2.gz UFWSTNKWFLDZMW-UHFFFAOYSA-N 1 0 341.371 2.699 20 5 EFBDRO O=[N+]([O-])c1ncccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000603942719 479454638 /nfs/dbraw/zinc/45/46/38/479454638.db2.gz MYJRZQROHGPOFH-UHFFFAOYSA-N 1 0 328.372 2.608 20 5 EFBDRO CCCC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604012223 479462192 /nfs/dbraw/zinc/46/21/92/479462192.db2.gz OLNVQSVGXLDLPH-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC(F)(F)C3)CC2)cn1 ZINC000602674358 479466601 /nfs/dbraw/zinc/46/66/01/479466601.db2.gz WNOBDAFJVCOSLC-UHFFFAOYSA-N 1 0 326.347 2.594 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599915990 479469499 /nfs/dbraw/zinc/46/94/99/479469499.db2.gz AWJRGQZXQLFCAL-KRWDZBQOSA-N 1 0 348.447 2.557 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596881133 479470391 /nfs/dbraw/zinc/47/03/91/479470391.db2.gz ILCMUYZJGGWWCN-ZDUSSCGKSA-N 1 0 334.420 2.613 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](O)C2CCC2)cc1Br ZINC000602680575 479472282 /nfs/dbraw/zinc/47/22/82/479472282.db2.gz DUXNAQZXWHUNAN-SNVBAGLBSA-N 1 0 335.223 2.669 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCC3(F)F)CC2)cn1 ZINC000602684866 479475142 /nfs/dbraw/zinc/47/51/42/479475142.db2.gz KCVRAQZJWRMAHQ-LBPRGKRZSA-N 1 0 340.374 2.984 20 5 EFBDRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000602686525 479475856 /nfs/dbraw/zinc/47/58/56/479475856.db2.gz WSFJJXHYECYAIX-ZDUSSCGKSA-N 1 0 345.355 2.749 20 5 EFBDRO CC1(C)C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602689080 479476173 /nfs/dbraw/zinc/47/61/73/479476173.db2.gz VVMMDAJXSFWREY-CQSZACIVSA-N 1 0 348.447 2.753 20 5 EFBDRO COCC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602690849 479478482 /nfs/dbraw/zinc/47/84/82/479478482.db2.gz QBPKMDPSLXSHGI-UHFFFAOYSA-N 1 0 348.447 2.753 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000575816208 479480197 /nfs/dbraw/zinc/48/01/97/479480197.db2.gz LRRNAJHIXLESCS-CQSZACIVSA-N 1 0 332.331 2.836 20 5 EFBDRO CNc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604193490 479483593 /nfs/dbraw/zinc/48/35/93/479483593.db2.gz NCKJIDPPWWRGNK-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000589162095 479487068 /nfs/dbraw/zinc/48/70/68/479487068.db2.gz HAOHHDYADBLJOI-STQMWFEESA-N 1 0 336.310 2.511 20 5 EFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000599985796 479488348 /nfs/dbraw/zinc/48/83/48/479488348.db2.gz ITTUVGXEWFOPBI-UHFFFAOYSA-N 1 0 339.823 2.733 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604267007 479493665 /nfs/dbraw/zinc/49/36/65/479493665.db2.gz LQHGUYIXKIEUPI-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618562571 479494617 /nfs/dbraw/zinc/49/46/17/479494617.db2.gz KWURJSYNOLFRAU-GOSISDBHSA-N 1 0 343.427 2.963 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CO)CCCCC2)n1 ZINC000618571876 479496574 /nfs/dbraw/zinc/49/65/74/479496574.db2.gz JGVTWUFNJQZBJI-GJZGRUSLSA-N 1 0 336.436 2.807 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593884120 479496533 /nfs/dbraw/zinc/49/65/33/479496533.db2.gz RDNSRUBXUFILPZ-UHFFFAOYSA-N 1 0 333.432 2.817 20 5 EFBDRO CC(C)(C)OCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602712432 479496630 /nfs/dbraw/zinc/49/66/30/479496630.db2.gz WGNRRCLAXOUSLC-UHFFFAOYSA-N 1 0 336.436 2.753 20 5 EFBDRO COC1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571529 479497068 /nfs/dbraw/zinc/49/70/68/479497068.db2.gz BPZQGHUFAYKAIZ-SFHVURJKSA-N 1 0 333.432 2.673 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593911978 479506043 /nfs/dbraw/zinc/50/60/43/479506043.db2.gz LBDANZQXKRDALX-KSSFIOAISA-N 1 0 331.416 2.721 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593915302 479507096 /nfs/dbraw/zinc/50/70/96/479507096.db2.gz IJKXJFTVLXHPHE-IAQYHMDHSA-N 1 0 339.823 2.767 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])c1C ZINC000593914253 479507733 /nfs/dbraw/zinc/50/77/33/479507733.db2.gz BXNHNHOGKDKHML-BXUZGUMPSA-N 1 0 335.404 2.501 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000604467067 479521135 /nfs/dbraw/zinc/52/11/35/479521135.db2.gz VPQNELZEAKLEOA-IIDMSEBBSA-N 1 0 347.459 2.977 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000604467068 479521203 /nfs/dbraw/zinc/52/12/03/479521203.db2.gz VPQNELZEAKLEOA-RLFYNMQTSA-N 1 0 347.459 2.977 20 5 EFBDRO CC[C@@]1(O)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000602740956 479521497 /nfs/dbraw/zinc/52/14/97/479521497.db2.gz SILUWPPRNBYYSS-GOSISDBHSA-N 1 0 344.415 2.732 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602743675 479524796 /nfs/dbraw/zinc/52/47/96/479524796.db2.gz WFCRCIVQDMNEGU-IBGZPJMESA-N 1 0 344.411 2.729 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940371 479528952 /nfs/dbraw/zinc/52/89/52/479528952.db2.gz ZFCGDJJTAIHFFF-STQMWFEESA-N 1 0 328.372 2.976 20 5 EFBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000602752738 479531164 /nfs/dbraw/zinc/53/11/64/479531164.db2.gz RSIXMLPDSARSQP-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000604524835 479534361 /nfs/dbraw/zinc/53/43/61/479534361.db2.gz RZSFICIAUPHWJK-UHFFFAOYSA-N 1 0 347.444 2.676 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000602761908 479534536 /nfs/dbraw/zinc/53/45/36/479534536.db2.gz BTJBHTZQVCTQSM-QGZVFWFLSA-N 1 0 344.415 2.781 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCn1cncn1 ZINC000600133531 479535623 /nfs/dbraw/zinc/53/56/23/479535623.db2.gz URYMXBDSVZPFGC-GDBMZVCRSA-N 1 0 329.404 2.577 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000604533322 479535655 /nfs/dbraw/zinc/53/56/55/479535655.db2.gz XIFKYHNNQWHFML-GFCCVEGCSA-N 1 0 331.372 2.801 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000576100928 479539914 /nfs/dbraw/zinc/53/99/14/479539914.db2.gz IXYDSMGTKOODGA-ZDUSSCGKSA-N 1 0 330.331 2.502 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000576116755 479544451 /nfs/dbraw/zinc/54/44/51/479544451.db2.gz MELFKVPHHRHPTB-KRWDZBQOSA-N 1 0 346.431 2.581 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594020666 479552911 /nfs/dbraw/zinc/55/29/11/479552911.db2.gz KRZMDRPBTMWQKQ-AWEZNQCLSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602789354 479553915 /nfs/dbraw/zinc/55/39/15/479553915.db2.gz ZMDJRUOONUCENK-DOTOQJQBSA-N 1 0 349.479 2.686 20 5 EFBDRO CN1C[C@@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000600179242 479565995 /nfs/dbraw/zinc/56/59/95/479565995.db2.gz WWDHRCKGRGEELR-HNNXBMFYSA-N 1 0 343.383 2.907 20 5 EFBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181489 479567427 /nfs/dbraw/zinc/56/74/27/479567427.db2.gz QPLKPBNRBVXLEV-SOFGYWHQSA-N 1 0 328.372 2.937 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594056126 479570891 /nfs/dbraw/zinc/57/08/91/479570891.db2.gz RCBQSDSWSGSVFF-DZGCQCFKSA-N 1 0 348.403 2.742 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCc2sccc2C1 ZINC000612074498 479572236 /nfs/dbraw/zinc/57/22/36/479572236.db2.gz ZZLMHJSGQSEPFE-AWEZNQCLSA-N 1 0 348.424 2.844 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000602826987 479578538 /nfs/dbraw/zinc/57/85/38/479578538.db2.gz PAKMIDMVHJKNGH-VKJFTORMSA-N 1 0 348.447 2.769 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCCn2c(cc3ccccc32)C1 ZINC000602827175 479578670 /nfs/dbraw/zinc/57/86/70/479578670.db2.gz AZIHMKVQPYXEDS-UHFFFAOYSA-N 1 0 339.399 2.960 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938053 479584021 /nfs/dbraw/zinc/58/40/21/479584021.db2.gz BLWVIPYSCVQWDY-SMDDNHRTSA-N 1 0 348.321 2.929 20 5 EFBDRO C[C@@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000612114171 479587902 /nfs/dbraw/zinc/58/79/02/479587902.db2.gz OTDLVUARJSQKQA-ZDUSSCGKSA-N 1 0 329.404 2.636 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)n1 ZINC000618821798 479606367 /nfs/dbraw/zinc/60/63/67/479606367.db2.gz GKTSMMKFDFDLPX-UHFFFAOYSA-N 1 0 326.360 2.505 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000618826824 479607120 /nfs/dbraw/zinc/60/71/20/479607120.db2.gz CJCSELGIFHVJIX-LEXSJLIMSA-N 1 0 345.443 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NCCCCC[NH+]3CCCC3)c2c1 ZINC000590143592 479609758 /nfs/dbraw/zinc/60/97/58/479609758.db2.gz TTZPWJWGRVYATG-UHFFFAOYSA-N 1 0 329.404 2.638 20 5 EFBDRO Cn1cc(C[N@H+](C)CC2=CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597206379 479619568 /nfs/dbraw/zinc/61/95/68/479619568.db2.gz PGLARVONEUCZKM-UHFFFAOYSA-N 1 0 342.399 2.774 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594195692 479626881 /nfs/dbraw/zinc/62/68/81/479626881.db2.gz HIDXNBQNMIITGJ-CABCVRRESA-N 1 0 337.807 2.995 20 5 EFBDRO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197844 479628057 /nfs/dbraw/zinc/62/80/57/479628057.db2.gz QPTWHWJLZMPWJC-HZPDHXFCSA-N 1 0 331.416 2.904 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594198980 479628889 /nfs/dbraw/zinc/62/88/89/479628889.db2.gz WZMCEDVWSDVWQJ-CHWSQXEVSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198707 479629254 /nfs/dbraw/zinc/62/92/54/479629254.db2.gz VEJGFQKJQNUVCV-DLBZAZTESA-N 1 0 331.416 2.661 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615239435 479635596 /nfs/dbraw/zinc/63/55/96/479635596.db2.gz UKVSQJIXYYMUPA-HNNXBMFYSA-N 1 0 349.431 2.559 20 5 EFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597240069 479638905 /nfs/dbraw/zinc/63/89/05/479638905.db2.gz NRBZUOLZBZGXJO-DOTOQJQBSA-N 1 0 336.388 2.815 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000602953728 479649182 /nfs/dbraw/zinc/64/91/82/479649182.db2.gz BWUCQSZPWPKRJD-SNVBAGLBSA-N 1 0 334.401 2.673 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000602956202 479649923 /nfs/dbraw/zinc/64/99/23/479649923.db2.gz MIIMUAXDLWEGJB-JTQLQIEISA-N 1 0 346.412 2.600 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590505888 479654884 /nfs/dbraw/zinc/65/48/84/479654884.db2.gz CNRBVUUZJKCQEV-SFHVURJKSA-N 1 0 343.383 2.899 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984303 479659386 /nfs/dbraw/zinc/65/93/86/479659386.db2.gz ZSXUGZNJZQGOHQ-DYVFJYSZSA-N 1 0 334.416 2.960 20 5 EFBDRO COCCC[NH+]1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590575155 479662146 /nfs/dbraw/zinc/66/21/46/479662146.db2.gz DYQPTCPFOUGHPQ-UHFFFAOYSA-N 1 0 337.420 2.825 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000590599691 479666402 /nfs/dbraw/zinc/66/64/02/479666402.db2.gz FVJBQUODSZTQFJ-QGZVFWFLSA-N 1 0 345.399 2.718 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000590601349 479666605 /nfs/dbraw/zinc/66/66/05/479666605.db2.gz SHXYIUNUGXFIBI-INIZCTEOSA-N 1 0 331.416 2.640 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000590599688 479666800 /nfs/dbraw/zinc/66/68/00/479666800.db2.gz FVJBQUODSZTQFJ-KRWDZBQOSA-N 1 0 345.399 2.718 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000590601427 479667509 /nfs/dbraw/zinc/66/75/09/479667509.db2.gz WJHSMIZCXOXGLU-JKSUJKDBSA-N 1 0 333.432 2.843 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000590601448 479667806 /nfs/dbraw/zinc/66/78/06/479667806.db2.gz AMRXPKBTTUUPRP-MRXNPFEDSA-N 1 0 344.415 2.963 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619198268 479714708 /nfs/dbraw/zinc/71/47/08/479714708.db2.gz QGHFBHSHMZMXOP-KRWDZBQOSA-N 1 0 349.431 2.576 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619433481 479788355 /nfs/dbraw/zinc/78/83/55/479788355.db2.gz MGXVPQSBPUVXTA-KRWDZBQOSA-N 1 0 336.388 2.757 20 5 EFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000619565826 479830145 /nfs/dbraw/zinc/83/01/45/479830145.db2.gz DTWIOJUSTCGNRE-UHFFFAOYSA-N 1 0 331.397 2.587 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019653 479841755 /nfs/dbraw/zinc/84/17/55/479841755.db2.gz BEAWHRCBWGFTFJ-CYBMUJFWSA-N 1 0 349.406 2.612 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019655 479841782 /nfs/dbraw/zinc/84/17/82/479841782.db2.gz BEAWHRCBWGFTFJ-ZDUSSCGKSA-N 1 0 349.406 2.612 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000609495638 480167478 /nfs/dbraw/zinc/16/74/78/480167478.db2.gz GSPDOCVPTLWHAB-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609557041 480175943 /nfs/dbraw/zinc/17/59/43/480175943.db2.gz MTXOYWIYYFPWTC-UKRRQHHQSA-N 1 0 334.420 2.828 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCOC1 ZINC000609631660 480191535 /nfs/dbraw/zinc/19/15/35/480191535.db2.gz KRACAPMDEJHUGV-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609833867 480210737 /nfs/dbraw/zinc/21/07/37/480210737.db2.gz ZCLTWKWEQOWJEM-ZDUSSCGKSA-N 1 0 330.388 2.680 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000609849296 480213603 /nfs/dbraw/zinc/21/36/03/480213603.db2.gz ILPTXMVWXHDVKI-CQSZACIVSA-N 1 0 343.412 2.736 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874672 480215613 /nfs/dbraw/zinc/21/56/13/480215613.db2.gz HBPGNAHKKXTNFQ-LLVKDONJSA-N 1 0 325.796 2.708 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610023878 480230907 /nfs/dbraw/zinc/23/09/07/480230907.db2.gz OZFHVENGLKTCON-CHWSQXEVSA-N 1 0 334.420 2.685 20 5 EFBDRO Cn1cc(CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000610371185 480293339 /nfs/dbraw/zinc/29/33/39/480293339.db2.gz MPGYVPVWTYYVBG-UHFFFAOYSA-N 1 0 344.415 2.804 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610456150 480310955 /nfs/dbraw/zinc/31/09/55/480310955.db2.gz YSKURNMLYCQGTE-INIZCTEOSA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000610577565 480340827 /nfs/dbraw/zinc/34/08/27/480340827.db2.gz NWJWLDDQNBMRAZ-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1cc(C)c(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000610664936 480359339 /nfs/dbraw/zinc/35/93/39/480359339.db2.gz QWRRJKHTGUESMS-UHFFFAOYSA-N 1 0 348.403 2.557 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197857 480565020 /nfs/dbraw/zinc/56/50/20/480565020.db2.gz KOWLKGQBMVXUAG-HNNXBMFYSA-N 1 0 328.368 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C4CCOCC4)C3)nc2c1 ZINC000618288447 480608954 /nfs/dbraw/zinc/60/89/54/480608954.db2.gz RTUPOTDOZVHWIZ-ZDUSSCGKSA-N 1 0 330.388 2.720 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000618396274 480657437 /nfs/dbraw/zinc/65/74/37/480657437.db2.gz DMNXCMLIWVIZQQ-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181916866 533757914 /nfs/dbraw/zinc/75/79/14/533757914.db2.gz YEJNDFXOKILDQZ-UGUYLWEFSA-N 1 0 334.416 2.988 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000184329490 533783840 /nfs/dbraw/zinc/78/38/40/533783840.db2.gz WLHPJGWYTOQSNK-NHYWBVRUSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(CN2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184250576 533800594 /nfs/dbraw/zinc/80/05/94/533800594.db2.gz PSWCPXVXESKSTQ-UHFFFAOYSA-N 1 0 339.411 2.906 20 5 EFBDRO Cc1c(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161777838 533831335 /nfs/dbraw/zinc/83/13/35/533831335.db2.gz IAYFJWAJNDTFMS-HUUCEWRRSA-N 1 0 347.459 2.930 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1O ZINC000190297492 533878200 /nfs/dbraw/zinc/87/82/00/533878200.db2.gz TXIUDXHHUYBZNW-UHFFFAOYSA-N 1 0 338.310 2.920 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000186929673 533899897 /nfs/dbraw/zinc/89/98/97/533899897.db2.gz BDWAVLKMDRESOW-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186966588 534067545 /nfs/dbraw/zinc/06/75/45/534067545.db2.gz QLECBLHLVJHTOD-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000174868246 534220972 /nfs/dbraw/zinc/22/09/72/534220972.db2.gz VRGZIQKZCXORFZ-XJKSGUPXSA-N 1 0 332.429 2.970 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000159762289 534320094 /nfs/dbraw/zinc/32/00/94/534320094.db2.gz QHVYMMZALSGWDR-UHFFFAOYSA-N 1 0 331.347 2.560 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000159829486 534321400 /nfs/dbraw/zinc/32/14/00/534321400.db2.gz HNVDVARVUQXNTD-INIZCTEOSA-N 1 0 345.424 2.547 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191362107 534321570 /nfs/dbraw/zinc/32/15/70/534321570.db2.gz SYNGVECGHLHCDR-FUHWJXTLSA-N 1 0 341.411 2.758 20 5 EFBDRO CC(C)(C(=O)NCC1CCC(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000343587772 534326350 /nfs/dbraw/zinc/32/63/50/534326350.db2.gz DZEMKYOEVSLHLL-UHFFFAOYSA-N 1 0 333.432 2.754 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153495810 534334317 /nfs/dbraw/zinc/33/43/17/534334317.db2.gz XRUCDESPVLITIV-KBXCAEBGSA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000178488471 534355909 /nfs/dbraw/zinc/35/59/09/534355909.db2.gz OIEYAWIRAZMCKW-HNNXBMFYSA-N 1 0 343.383 2.529 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000352067168 534372488 /nfs/dbraw/zinc/37/24/88/534372488.db2.gz GYJYMNVBCWLKCO-GOEBONIOSA-N 1 0 331.416 2.615 20 5 EFBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072977233 520115599 /nfs/dbraw/zinc/11/55/99/520115599.db2.gz JKLAJVNXAUOPTM-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO CCOC(=O)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000120045127 520613308 /nfs/dbraw/zinc/61/33/08/520613308.db2.gz FASFEVHTZUGKPN-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065867948 520999875 /nfs/dbraw/zinc/99/98/75/520999875.db2.gz YGBBNKOJHKTLSL-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240820 521161602 /nfs/dbraw/zinc/16/16/02/521161602.db2.gz AYCSUHCETAJMIQ-YJBOKZPZSA-N 1 0 335.448 2.994 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154508800 521428228 /nfs/dbraw/zinc/42/82/28/521428228.db2.gz IVXUDANTKZHYSE-JTQLQIEISA-N 1 0 343.811 2.649 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245413515 521492229 /nfs/dbraw/zinc/49/22/29/521492229.db2.gz BOOBVJCQCORZQI-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000157039999 521546286 /nfs/dbraw/zinc/54/62/86/521546286.db2.gz VVUIAPVJMMBQKY-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077377704 521557986 /nfs/dbraw/zinc/55/79/86/521557986.db2.gz GTJZVWKDCKNXQY-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000076225152 521646876 /nfs/dbraw/zinc/64/68/76/521646876.db2.gz RUMDZBZNAKSGHQ-UHFFFAOYSA-N 1 0 325.384 2.976 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000155173594 521811389 /nfs/dbraw/zinc/81/13/89/521811389.db2.gz KJKZWWAUBPJGOE-HNNXBMFYSA-N 1 0 339.411 2.759 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000088280286 521903789 /nfs/dbraw/zinc/90/37/89/521903789.db2.gz NUUNBKJGPWZGJD-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112379557 521905519 /nfs/dbraw/zinc/90/55/19/521905519.db2.gz RNSFVFKKHHOPGL-UGSOOPFHSA-N 1 0 346.431 2.882 20 5 EFBDRO Cc1cccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000176675372 534600576 /nfs/dbraw/zinc/60/05/76/534600576.db2.gz ZHWDCZYYUHERNO-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000261620563 522020247 /nfs/dbraw/zinc/02/02/47/522020247.db2.gz FZZUNMDPEIPIPS-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000120218663 522645862 /nfs/dbraw/zinc/64/58/62/522645862.db2.gz XPVQGYWCRMNICM-INIZCTEOSA-N 1 0 343.383 2.943 20 5 EFBDRO CCc1nn(C)c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192957980 522670875 /nfs/dbraw/zinc/67/08/75/522670875.db2.gz XAXKMGCZFJORQD-HNNXBMFYSA-N 1 0 343.431 2.825 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000159750654 534659751 /nfs/dbraw/zinc/65/97/51/534659751.db2.gz GGXXKETUEDSKOG-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000135645095 522911726 /nfs/dbraw/zinc/91/17/26/522911726.db2.gz MQDFAHVGRKCTCS-MRXNPFEDSA-N 1 0 330.388 2.717 20 5 EFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081290672 523738597 /nfs/dbraw/zinc/73/85/97/523738597.db2.gz DHVURDHFMPQALU-HNNXBMFYSA-N 1 0 347.415 2.598 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073573899 523768523 /nfs/dbraw/zinc/76/85/23/523768523.db2.gz YZQCLTOCIIRMRP-UHFFFAOYSA-N 1 0 349.412 2.986 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000157156977 523992976 /nfs/dbraw/zinc/99/29/76/523992976.db2.gz VFVCTYQZYAQAFK-KGLIPLIRSA-N 1 0 349.456 2.630 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072714045 524071952 /nfs/dbraw/zinc/07/19/52/524071952.db2.gz RLQIIODIVBLAJA-ZDUSSCGKSA-N 1 0 346.383 2.653 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000081289681 524130911 /nfs/dbraw/zinc/13/09/11/524130911.db2.gz BETAVNRLOYXMEK-MRXNPFEDSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694657 524142165 /nfs/dbraw/zinc/14/21/65/524142165.db2.gz JHBFITYYKBRIAO-RBSFLKMASA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694655 524142215 /nfs/dbraw/zinc/14/22/15/524142215.db2.gz JHBFITYYKBRIAO-QLFBSQMISA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000119838390 524338004 /nfs/dbraw/zinc/33/80/04/524338004.db2.gz KBWZXXXPBZMRMC-CQSZACIVSA-N 1 0 332.404 2.914 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245541996 524359501 /nfs/dbraw/zinc/35/95/01/524359501.db2.gz LBUBWODDLPVKDR-RYRKJORJSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000120675223 524413799 /nfs/dbraw/zinc/41/37/99/524413799.db2.gz ZSNPHYUOCPHKTB-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119384268 524500030 /nfs/dbraw/zinc/50/00/30/524500030.db2.gz NUVMKBMJTXMUBM-YRGRVCCFSA-N 1 0 335.404 2.956 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000120675089 524679535 /nfs/dbraw/zinc/67/95/35/524679535.db2.gz ZSNPHYUOCPHKTB-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893547 524844541 /nfs/dbraw/zinc/84/45/41/524844541.db2.gz UXTIKDYLEBQCBV-CMPLNLGQSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120916486 524892761 /nfs/dbraw/zinc/89/27/61/524892761.db2.gz UZQMPAZZJYTFGO-YGRLFVJLSA-N 1 0 325.796 2.660 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000177510616 524956578 /nfs/dbraw/zinc/95/65/78/524956578.db2.gz ANALXJMPAMOBKP-UHFFFAOYSA-N 1 0 326.418 2.810 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000262763006 525011604 /nfs/dbraw/zinc/01/16/04/525011604.db2.gz ISLKRYJPNJJHGG-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO Cc1cc(NC[C@H](O)COCC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181456760 525274522 /nfs/dbraw/zinc/27/45/22/525274522.db2.gz MKDBTIMBYBNVOC-AWEZNQCLSA-N 1 0 333.388 2.897 20 5 EFBDRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178655912 525354495 /nfs/dbraw/zinc/35/44/95/525354495.db2.gz FNUUIYUXRAWMHQ-NSHDSACASA-N 1 0 349.337 2.954 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090004128 525457927 /nfs/dbraw/zinc/45/79/27/525457927.db2.gz PMKXEGROHPGJCC-AWEZNQCLSA-N 1 0 344.415 2.792 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000194719688 525468018 /nfs/dbraw/zinc/46/80/18/525468018.db2.gz FJBDAEGMMDQYMN-NEPJUHHUSA-N 1 0 344.371 2.676 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)CCCC2 ZINC000181924625 525470761 /nfs/dbraw/zinc/47/07/61/525470761.db2.gz DOQDQRLDGQEFDF-CQSZACIVSA-N 1 0 341.411 2.986 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176722258 525701164 /nfs/dbraw/zinc/70/11/64/525701164.db2.gz SBTOTQUMNXVFSM-OAHLLOKOSA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176746812 525702992 /nfs/dbraw/zinc/70/29/92/525702992.db2.gz XUGKALQVFKTYCR-GDBMZVCRSA-N 1 0 346.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](OCCO)C3)o2)cc1 ZINC000179573280 534881132 /nfs/dbraw/zinc/88/11/32/534881132.db2.gz CLFSJRWXJIZAHZ-INIZCTEOSA-N 1 0 346.383 2.828 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608781 525851314 /nfs/dbraw/zinc/85/13/14/525851314.db2.gz OIELXAWLXOISLZ-CHWSQXEVSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176746790 525897267 /nfs/dbraw/zinc/89/72/67/525897267.db2.gz XUGKALQVFKTYCR-HOCLYGCPSA-N 1 0 346.431 2.844 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120078069 525925840 /nfs/dbraw/zinc/92/58/40/525925840.db2.gz LNGGTLOGANQLHV-MAUKXSAKSA-N 1 0 335.448 2.911 20 5 EFBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425534029 534901168 /nfs/dbraw/zinc/90/11/68/534901168.db2.gz ATMPBTOFKXNHJR-DLBZAZTESA-N 1 0 344.415 2.625 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155370463 526079533 /nfs/dbraw/zinc/07/95/33/526079533.db2.gz WFGVPKBPYYQADZ-PBHICJAKSA-N 1 0 347.415 2.733 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000236602106 534909536 /nfs/dbraw/zinc/90/95/36/534909536.db2.gz UAQZMQUYFLWGMX-ZDUSSCGKSA-N 1 0 337.445 2.906 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343641150 534910270 /nfs/dbraw/zinc/91/02/70/534910270.db2.gz NYRLFXIZYPFBDX-ZDUSSCGKSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246179479 526186346 /nfs/dbraw/zinc/18/63/46/526186346.db2.gz DAQDRXDCTOWBAR-UXIGCNINSA-N 1 0 346.387 2.799 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246179471 526187757 /nfs/dbraw/zinc/18/77/57/526187757.db2.gz DAQDRXDCTOWBAR-OSAQELSMSA-N 1 0 346.387 2.799 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153597720 526259206 /nfs/dbraw/zinc/25/92/06/526259206.db2.gz KVLAWUHDLSQTNQ-MAUKXSAKSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000081995581 526264420 /nfs/dbraw/zinc/26/44/20/526264420.db2.gz OBIXKMXJSLXPHK-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174236053 526330991 /nfs/dbraw/zinc/33/09/91/526330991.db2.gz PPNBOUDKOCPFSH-UHFFFAOYSA-N 1 0 348.428 2.836 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181473785 526694341 /nfs/dbraw/zinc/69/43/41/526694341.db2.gz NRVLNTNQUSEGHV-ZDUSSCGKSA-N 1 0 334.376 2.532 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174173 526759655 /nfs/dbraw/zinc/75/96/55/526759655.db2.gz ZSEXYNPQOUQVHG-GOSISDBHSA-N 1 0 339.395 2.876 20 5 EFBDRO O=C1NCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245517543 527061458 /nfs/dbraw/zinc/06/14/58/527061458.db2.gz AFMPDOXRPCBIIA-BPUTZDHNSA-N 1 0 331.416 2.564 20 5 EFBDRO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000155298181 527178049 /nfs/dbraw/zinc/17/80/49/527178049.db2.gz NKMWXQFNQAJQQH-QGZVFWFLSA-N 1 0 347.459 2.616 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158066850 527237362 /nfs/dbraw/zinc/23/73/62/527237362.db2.gz YLLILKCJCOYUPZ-DGCLKSJQSA-N 1 0 346.412 2.576 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000157239099 527246377 /nfs/dbraw/zinc/24/63/77/527246377.db2.gz NJSPPKQZAXFBCO-AWEZNQCLSA-N 1 0 349.406 2.611 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000119396093 527246672 /nfs/dbraw/zinc/24/66/72/527246672.db2.gz NBDWODMQLFBBDI-UHFFFAOYSA-N 1 0 349.406 2.800 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000195521098 527347321 /nfs/dbraw/zinc/34/73/21/527347321.db2.gz VCGXHRRIEIGDIY-OAHLLOKOSA-N 1 0 341.415 2.555 20 5 EFBDRO [NH3+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000178117369 527380711 /nfs/dbraw/zinc/38/07/11/527380711.db2.gz BXYIZXVILYQNSU-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120160634 527413630 /nfs/dbraw/zinc/41/36/30/527413630.db2.gz AVHCGXRZWFDJKV-HNNXBMFYSA-N 1 0 336.779 2.598 20 5 EFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066388400 527487475 /nfs/dbraw/zinc/48/74/75/527487475.db2.gz OHWQRUIQMNYMPG-SFHVURJKSA-N 1 0 339.395 2.747 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181152306 527520695 /nfs/dbraw/zinc/52/06/95/527520695.db2.gz NEIZNIHOMIRSJU-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000174487559 527814496 /nfs/dbraw/zinc/81/44/96/527814496.db2.gz YHIATNZUOSCKTA-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178549611 527973698 /nfs/dbraw/zinc/97/36/98/527973698.db2.gz IHYJXDFQJKZKJE-LBPRGKRZSA-N 1 0 325.434 2.754 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000163673697 527985681 /nfs/dbraw/zinc/98/56/81/527985681.db2.gz VOTUXBQWBPJNJX-CYBMUJFWSA-N 1 0 337.395 2.832 20 5 EFBDRO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245378 528047990 /nfs/dbraw/zinc/04/79/90/528047990.db2.gz DLQLHHCFANCELE-CQSZACIVSA-N 1 0 349.431 2.695 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CC(C)C ZINC000181076961 528244754 /nfs/dbraw/zinc/24/47/54/528244754.db2.gz VDIPTVBFCMTJCM-CYBMUJFWSA-N 1 0 336.436 2.663 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000154118773 528594783 /nfs/dbraw/zinc/59/47/83/528594783.db2.gz GMMVRNHUJXHEHW-ABAIWWIYSA-N 1 0 326.418 2.512 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413139 528595785 /nfs/dbraw/zinc/59/57/85/528595785.db2.gz MUEXEDRNIWUBNH-VXGBXAGGSA-N 1 0 337.420 2.947 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000152716528 528596359 /nfs/dbraw/zinc/59/63/59/528596359.db2.gz VKZCNZJUYSVZJL-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000175169134 528612601 /nfs/dbraw/zinc/61/26/01/528612601.db2.gz IWCZTLTWIAVBBE-ZDUSSCGKSA-N 1 0 336.388 2.578 20 5 EFBDRO CCC(CC)(C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161243531 528648844 /nfs/dbraw/zinc/64/88/44/528648844.db2.gz QLWDTBFLBCWMFN-UHFFFAOYSA-N 1 0 349.431 2.730 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171853260 528996912 /nfs/dbraw/zinc/99/69/12/528996912.db2.gz LEIIVPFBIMYVTD-OAHLLOKOSA-N 1 0 334.420 2.611 20 5 EFBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174030156 529184352 /nfs/dbraw/zinc/18/43/52/529184352.db2.gz PRCNZRRSRMFSRE-LLVKDONJSA-N 1 0 325.434 2.657 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412182379 534951312 /nfs/dbraw/zinc/95/13/12/534951312.db2.gz JTRSIHYJORCMFI-WFASDCNBSA-N 1 0 347.415 2.595 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352041907 535019051 /nfs/dbraw/zinc/01/90/51/535019051.db2.gz FRGHPVXZAXSGLL-KRWDZBQOSA-N 1 0 345.443 2.959 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342089596 535021055 /nfs/dbraw/zinc/02/10/55/535021055.db2.gz RYEKRBCRAWYMAN-JQFCIGGWSA-N 1 0 333.432 2.941 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412184237 535138289 /nfs/dbraw/zinc/13/82/89/535138289.db2.gz NRJJDJBSUDJPDH-FHLIZLRMSA-N 1 0 345.443 2.792 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1(O)CCOCC1 ZINC000418122365 535147904 /nfs/dbraw/zinc/14/79/04/535147904.db2.gz FLCSVNLKQYIZCL-UHFFFAOYSA-N 1 0 342.823 2.906 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418427628 535185013 /nfs/dbraw/zinc/18/50/13/535185013.db2.gz ONQQBXIRLFTXAW-UHFFFAOYSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)(NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418350054 535225048 /nfs/dbraw/zinc/22/50/48/535225048.db2.gz QOWAIYXICMXONB-CYBMUJFWSA-N 1 0 334.420 2.519 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418796875 535226676 /nfs/dbraw/zinc/22/66/76/535226676.db2.gz RPCHTDPHVNCMGL-UMVBOHGHSA-N 1 0 346.431 2.517 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000357881192 535241888 /nfs/dbraw/zinc/24/18/88/535241888.db2.gz GRCVAFXHUOEZGM-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCC1 ZINC000352883293 535314183 /nfs/dbraw/zinc/31/41/83/535314183.db2.gz JIEBSGOQGSVWDP-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341366484 535362178 /nfs/dbraw/zinc/36/21/78/535362178.db2.gz HPDDGYKMNPOLKH-CQSZACIVSA-N 1 0 325.796 2.739 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000343491694 535413537 /nfs/dbraw/zinc/41/35/37/535413537.db2.gz BCLDKGSXHXWSKT-CHWSQXEVSA-N 1 0 335.404 2.655 20 5 EFBDRO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000341341221 535419414 /nfs/dbraw/zinc/41/94/14/535419414.db2.gz FZHCCAMCVDGSDG-AWEZNQCLSA-N 1 0 327.812 2.985 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000266121938 535506890 /nfs/dbraw/zinc/50/68/90/535506890.db2.gz AFXOHIBYAPQZJR-JKSUJKDBSA-N 1 0 348.399 2.899 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344189403 535519761 /nfs/dbraw/zinc/51/97/61/535519761.db2.gz NAMHREDVAHFQRK-GFCCVEGCSA-N 1 0 325.384 2.974 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342667496 535588362 /nfs/dbraw/zinc/58/83/62/535588362.db2.gz NIMKUEQFFHSQSF-NSHDSACASA-N 1 0 342.827 2.778 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411649523 535589486 /nfs/dbraw/zinc/58/94/86/535589486.db2.gz RKXGQCAJEMZVFX-ZDUSSCGKSA-N 1 0 337.420 2.842 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000350736954 535589999 /nfs/dbraw/zinc/58/99/99/535589999.db2.gz MUIPQUABJKVCOI-ZDUSSCGKSA-N 1 0 336.436 2.875 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000266313532 535662727 /nfs/dbraw/zinc/66/27/27/535662727.db2.gz NYALHGILCFROFG-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000357104747 535715895 /nfs/dbraw/zinc/71/58/95/535715895.db2.gz XEKMIAFQUUIUJC-UHFFFAOYSA-N 1 0 349.431 2.616 20 5 EFBDRO CC[C@@H](O)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344475523 535811048 /nfs/dbraw/zinc/81/10/48/535811048.db2.gz DFOHOQVQEDQCMM-MRXNPFEDSA-N 1 0 332.404 2.636 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246859038 535861429 /nfs/dbraw/zinc/86/14/29/535861429.db2.gz DXBOELMNBGLTHY-SWLSCSKDSA-N 1 0 341.839 2.525 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000358373956 535910768 /nfs/dbraw/zinc/91/07/68/535910768.db2.gz FRQWUEUAWPNCJB-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[NH+](C)CCOc1cnccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000341022138 535920737 /nfs/dbraw/zinc/92/07/37/535920737.db2.gz AGADAORIVGKKFK-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000359794901 535952823 /nfs/dbraw/zinc/95/28/23/535952823.db2.gz OZPHWNHQPPDLTI-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000359806355 535953185 /nfs/dbraw/zinc/95/31/85/535953185.db2.gz OOCMBJJAJQUIFA-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266279776 535964052 /nfs/dbraw/zinc/96/40/52/535964052.db2.gz DUZXFZMVKZCZJX-SNVBAGLBSA-N 1 0 345.321 2.637 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425407315 535965655 /nfs/dbraw/zinc/96/56/55/535965655.db2.gz QXZTWLPSYZCALF-LLVKDONJSA-N 1 0 342.237 2.741 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343748548 536095759 /nfs/dbraw/zinc/09/57/59/536095759.db2.gz IAWHJKBHZBKLBJ-HIFRSBDPSA-N 1 0 345.399 2.643 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343748550 536096770 /nfs/dbraw/zinc/09/67/70/536096770.db2.gz IAWHJKBHZBKLBJ-UKRRQHHQSA-N 1 0 345.399 2.643 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344661874 536109900 /nfs/dbraw/zinc/10/99/00/536109900.db2.gz LTZWSXOWOILUOK-UHFFFAOYSA-N 1 0 345.852 2.797 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000351968529 536115753 /nfs/dbraw/zinc/11/57/53/536115753.db2.gz QYIKFOCKGAAMMA-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246859053 536154892 /nfs/dbraw/zinc/15/48/92/536154892.db2.gz DXBOELMNBGLTHY-WFASDCNBSA-N 1 0 341.839 2.525 20 5 EFBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000419380616 536306972 /nfs/dbraw/zinc/30/69/72/536306972.db2.gz VGFMNMUBGKCDQD-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1O ZINC000344160677 536307204 /nfs/dbraw/zinc/30/72/04/536307204.db2.gz FSZKGXUYTKXKGT-UHFFFAOYSA-N 1 0 343.383 2.804 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000414639480 536345776 /nfs/dbraw/zinc/34/57/76/536345776.db2.gz FKEFVXCFKSBUNT-ZETCQYMHSA-N 1 0 330.266 2.814 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000349077817 536371660 /nfs/dbraw/zinc/37/16/60/536371660.db2.gz QGHMKAWPGFXSMZ-UHFFFAOYSA-N 1 0 343.431 2.523 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000261965555 536446103 /nfs/dbraw/zinc/44/61/03/536446103.db2.gz ATCWMJMDPCFOJY-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353758770 536476511 /nfs/dbraw/zinc/47/65/11/536476511.db2.gz NEMLCLRYFUMEGT-GXTWGEPZSA-N 1 0 336.388 2.815 20 5 EFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[C@H]1O ZINC000245850669 536485669 /nfs/dbraw/zinc/48/56/69/536485669.db2.gz JFSNJRFXLGMCCI-CZUORRHYSA-N 1 0 331.372 2.843 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000351150675 536564998 /nfs/dbraw/zinc/56/49/98/536564998.db2.gz WLZMQRYCJDXCDR-XHDPSFHLSA-N 1 0 338.795 2.811 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000351144412 536565314 /nfs/dbraw/zinc/56/53/14/536565314.db2.gz MJBSDHAGZFYCRS-IINYFYTJSA-N 1 0 338.795 2.848 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342136699 536586643 /nfs/dbraw/zinc/58/66/43/536586643.db2.gz RFUIILDXEBCTJU-SJCJKPOMSA-N 1 0 336.363 2.899 20 5 EFBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000412025255 536706885 /nfs/dbraw/zinc/70/68/85/536706885.db2.gz PPNWLPOECHPJHO-CYBMUJFWSA-N 1 0 335.404 2.779 20 5 EFBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000412021687 536707583 /nfs/dbraw/zinc/70/75/83/536707583.db2.gz NERMJMXKSSOWSL-CYBMUJFWSA-N 1 0 335.404 2.779 20 5 EFBDRO COC1CCC([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000360328492 536731901 /nfs/dbraw/zinc/73/19/01/536731901.db2.gz ZKAYGJUMEZTETP-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000360392113 536787348 /nfs/dbraw/zinc/78/73/48/536787348.db2.gz WWMIKXJJLLMPPF-UHFFFAOYSA-N 1 0 338.408 2.655 20 5 EFBDRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000193113184 536812035 /nfs/dbraw/zinc/81/20/35/536812035.db2.gz SQDRZIKUWGNECZ-CYBMUJFWSA-N 1 0 348.346 2.701 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000344485850 536816052 /nfs/dbraw/zinc/81/60/52/536816052.db2.gz YEZJINXIYMJGRP-GUYJKWIASA-N 1 0 349.431 2.879 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874021 536943287 /nfs/dbraw/zinc/94/32/87/536943287.db2.gz AMFWNBHLNNSGHE-MOPGFXCFSA-N 1 0 341.411 2.839 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344725635 536951319 /nfs/dbraw/zinc/95/13/19/536951319.db2.gz GZDKYXVQCUSABT-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO CC[N@@H+]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079373 575386628 /nfs/dbraw/zinc/38/66/28/575386628.db2.gz GTVNCALETNZWGX-JTQLQIEISA-N 1 0 341.795 2.565 20 5 EFBDRO CC[NH+](CC)CCOCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000754083978 575387280 /nfs/dbraw/zinc/38/72/80/575387280.db2.gz YXMUBUVATZYPTB-UHFFFAOYSA-N 1 0 338.433 2.975 20 5 EFBDRO CCNC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000754155466 575398833 /nfs/dbraw/zinc/39/88/33/575398833.db2.gz XCAQOPIZWJWCSR-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000754250518 575410743 /nfs/dbraw/zinc/41/07/43/575410743.db2.gz JBXPGHSXVIPXKU-MEDUHNTESA-N 1 0 331.328 2.887 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250164 575410755 /nfs/dbraw/zinc/41/07/55/575410755.db2.gz CXAILZNDTCUMGC-BZNIZROVSA-N 1 0 326.356 2.855 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754361535 575424963 /nfs/dbraw/zinc/42/49/63/575424963.db2.gz IIARBAJHFDRCQG-IAQYHMDHSA-N 1 0 325.384 2.540 20 5 EFBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381196 575427690 /nfs/dbraw/zinc/42/76/90/575427690.db2.gz BKPGLNFDPIQWSC-YPMHNXCESA-N 1 0 349.412 2.697 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000754385055 575428842 /nfs/dbraw/zinc/42/88/42/575428842.db2.gz HVFZOSOAGGFBOJ-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000754520690 575446527 /nfs/dbraw/zinc/44/65/27/575446527.db2.gz WDUUZBFQQGTLCG-BXUZGUMPSA-N 1 0 341.795 2.734 20 5 EFBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984140 575666399 /nfs/dbraw/zinc/66/63/99/575666399.db2.gz JRQADQNCVRYPCV-OAHLLOKOSA-N 1 0 347.321 2.768 20 5 EFBDRO CCCCCC[N@H+](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000759789494 575934926 /nfs/dbraw/zinc/93/49/26/575934926.db2.gz XTIJAWOTPSIXRR-UHFFFAOYSA-N 1 0 333.392 2.922 20 5 EFBDRO CC(C)OCC(=[NH2+])NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760351691 576010037 /nfs/dbraw/zinc/01/00/37/576010037.db2.gz RZUGWOLCRJNTJI-UHFFFAOYSA-N 1 0 334.332 2.673 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000762720860 576327453 /nfs/dbraw/zinc/32/74/53/576327453.db2.gz DLXCVQXKLLXYSG-LBPRGKRZSA-N 1 0 337.395 2.612 20 5 EFBDRO O=C1N(C[N@@H+]2CC[C@@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000763333329 576373104 /nfs/dbraw/zinc/37/31/04/576373104.db2.gz RWFQTODIIMCRES-CQSZACIVSA-N 1 0 330.388 2.526 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000763492640 576379208 /nfs/dbraw/zinc/37/92/08/576379208.db2.gz OKYXSWDNNPQAPN-DLBZAZTESA-N 1 0 333.432 2.636 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000764316277 576447900 /nfs/dbraw/zinc/44/79/00/576447900.db2.gz WHSCHGXZTYUSSY-UHFFFAOYSA-N 1 0 342.399 2.883 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000764489069 576464655 /nfs/dbraw/zinc/46/46/55/576464655.db2.gz HYYJNFMAEJODAM-WFASDCNBSA-N 1 0 334.445 2.708 20 5 EFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764929794 576525079 /nfs/dbraw/zinc/52/50/79/576525079.db2.gz ZADOFDVVHNJSLM-CYBMUJFWSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765289192 577027711 /nfs/dbraw/zinc/02/77/11/577027711.db2.gz MVKIVDOEWIVNJT-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000765517234 577049938 /nfs/dbraw/zinc/04/99/38/577049938.db2.gz WBWXFHDDIGJNHT-WBVHZDCISA-N 1 0 335.448 2.866 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000765517228 577050088 /nfs/dbraw/zinc/05/00/88/577050088.db2.gz WBWXFHDDIGJNHT-NVXWUHKLSA-N 1 0 335.448 2.866 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765630951 577061139 /nfs/dbraw/zinc/06/11/39/577061139.db2.gz PGSLRUCXXPRAIB-CVEARBPZSA-N 1 0 347.415 2.736 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(CO)c3)CC2)cc1 ZINC000765802491 577078586 /nfs/dbraw/zinc/07/85/86/577078586.db2.gz VTXJETNELHBBJX-UHFFFAOYSA-N 1 0 341.411 2.846 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765971505 577094073 /nfs/dbraw/zinc/09/40/73/577094073.db2.gz KNLLJHFUXNESDZ-MRXNPFEDSA-N 1 0 344.367 2.938 20 5 EFBDRO C[C@H]1CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267090 577129219 /nfs/dbraw/zinc/12/92/19/577129219.db2.gz DVKXLANKRXDFGX-HNNXBMFYSA-N 1 0 332.448 2.638 20 5 EFBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000766444456 577151194 /nfs/dbraw/zinc/15/11/94/577151194.db2.gz ZQFNPFSSVQBWME-UHFFFAOYSA-N 1 0 333.392 2.689 20 5 EFBDRO CS[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1[NH+](C)C ZINC000767292985 577202961 /nfs/dbraw/zinc/20/29/61/577202961.db2.gz WHTJVWREZAJDTO-DGCLKSJQSA-N 1 0 338.458 2.686 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000768230792 577261917 /nfs/dbraw/zinc/26/19/17/577261917.db2.gz URSXLKHWBAZYFT-UHFFFAOYSA-N 1 0 333.432 2.887 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000768287564 577264459 /nfs/dbraw/zinc/26/44/59/577264459.db2.gz RVGJNZTZFSXYGS-UHFFFAOYSA-N 1 0 334.445 2.852 20 5 EFBDRO C[N@H+](CCOC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccc(F)cc1 ZINC000769032626 577325845 /nfs/dbraw/zinc/32/58/45/577325845.db2.gz AUVAWPIRVYMMCF-UHFFFAOYSA-N 1 0 347.346 2.605 20 5 EFBDRO C[N@H+](CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769050924 577328218 /nfs/dbraw/zinc/32/82/18/577328218.db2.gz VZGFGKQWXOPAAM-UHFFFAOYSA-N 1 0 347.346 2.605 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000726607606 577375443 /nfs/dbraw/zinc/37/54/43/577375443.db2.gz UXDAYABDROZCNO-CQSZACIVSA-N 1 0 345.399 2.665 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000769708288 577379886 /nfs/dbraw/zinc/37/98/86/577379886.db2.gz RYQMCNCECBAHJR-RMKNXTFCSA-N 1 0 331.416 2.846 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000769706548 577379919 /nfs/dbraw/zinc/37/99/19/577379919.db2.gz XTNKPCKXDACJBB-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000727064057 577432339 /nfs/dbraw/zinc/43/23/39/577432339.db2.gz RRUWZDJMIWAPIA-UHFFFAOYSA-N 1 0 328.413 2.608 20 5 EFBDRO CN(CCc1cnccn1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000770663489 581122780 /nfs/dbraw/zinc/12/27/80/581122780.db2.gz MVRPQNGRNXKKFY-UHFFFAOYSA-N 1 0 345.384 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000770689220 581126141 /nfs/dbraw/zinc/12/61/41/581126141.db2.gz PMVDYDYDYOAZIX-OALUTQOASA-N 1 0 340.379 2.760 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000771387371 581206301 /nfs/dbraw/zinc/20/63/01/581206301.db2.gz JTIKAVWYGPKGGU-HUUCEWRRSA-N 1 0 333.432 2.968 20 5 EFBDRO CCCCCC[N@H+](C)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000771464551 581214589 /nfs/dbraw/zinc/21/45/89/581214589.db2.gz SHSQSTQKJNVDIR-UHFFFAOYSA-N 1 0 336.396 2.699 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000772066192 581277791 /nfs/dbraw/zinc/27/77/91/581277791.db2.gz OPDAUNGOCMEMNG-UHFFFAOYSA-N 1 0 339.348 2.618 20 5 EFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182870 581486648 /nfs/dbraw/zinc/48/66/48/581486648.db2.gz KBZQSOPIMQLOIT-BRWVUGGUSA-N 1 0 344.415 2.907 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000774224027 581487521 /nfs/dbraw/zinc/48/75/21/581487521.db2.gz GRRLFHZLBKYXAR-DZGCQCFKSA-N 1 0 345.359 2.973 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000774232464 581487740 /nfs/dbraw/zinc/48/77/40/581487740.db2.gz YTKXSFHCKHWKLA-HUUCEWRRSA-N 1 0 345.359 2.973 20 5 EFBDRO CCOC(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000774375638 581490390 /nfs/dbraw/zinc/49/03/90/581490390.db2.gz DFFQYDPFZGNEFF-KBPBESRZSA-N 1 0 340.424 2.654 20 5 EFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCSC1 ZINC000774640881 581496110 /nfs/dbraw/zinc/49/61/10/581496110.db2.gz WHLVIKWAOBPJBN-SNVBAGLBSA-N 1 0 326.809 2.993 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000774902561 581503605 /nfs/dbraw/zinc/50/36/05/581503605.db2.gz IGHRTEYFIKBMOW-GXTWGEPZSA-N 1 0 336.392 2.808 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1[N+](=O)[O-] ZINC000822229220 606485238 /nfs/dbraw/zinc/48/52/38/606485238.db2.gz PCVSNWOHFIUNMQ-SNVBAGLBSA-N 1 0 344.400 2.996 20 5 EFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824606212 607983294 /nfs/dbraw/zinc/98/32/94/607983294.db2.gz OTOMYVCFWMTJFA-GFCCVEGCSA-N 1 0 338.371 2.668 20 5 EFBDRO COc1cc(C[NH2+]CC2SCCS2)c([N+](=O)[O-])cc1OC ZINC000850401517 1250466867 /nfs/dbraw/zinc/46/68/67/1250466867.db2.gz HKKJOCODCLCLTI-UHFFFAOYSA-N 1 0 330.431 2.508 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000850422269 1250477863 /nfs/dbraw/zinc/47/78/63/1250477863.db2.gz KTYCATCBJUHHND-LBPRGKRZSA-N 1 0 341.371 2.539 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNc1ncccn1 ZINC000850439547 1250485641 /nfs/dbraw/zinc/48/56/41/1250485641.db2.gz LRUBTYYAHFINAE-LBPRGKRZSA-N 1 0 331.376 2.546 20 5 EFBDRO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850538365 1250528132 /nfs/dbraw/zinc/52/81/32/1250528132.db2.gz ZOGJWBAXOPVDQJ-HZMBPMFUSA-N 1 0 331.347 2.970 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000850549837 1250531049 /nfs/dbraw/zinc/53/10/49/1250531049.db2.gz IJPGLCPHUVEGKS-ZFWWWQNUSA-N 1 0 335.404 2.594 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107274689 1255516010 /nfs/dbraw/zinc/51/60/10/1255516010.db2.gz HDUZOXDUDYUDBI-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO C[N@H+](CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001107513698 1256021310 /nfs/dbraw/zinc/02/13/10/1256021310.db2.gz JTRZCCBVDJDURD-AATRIKPKSA-N 1 0 348.447 2.657 20 5 EFBDRO CC1(CC(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000996812983 1256130330 /nfs/dbraw/zinc/13/03/30/1256130330.db2.gz ZCWJZDSAQIVLQC-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC1(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000996883006 1256328772 /nfs/dbraw/zinc/32/87/72/1256328772.db2.gz IGDMAWSSDWFUOG-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1cocc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996889543 1256357831 /nfs/dbraw/zinc/35/78/31/1256357831.db2.gz NIVPMLTXPUZQOF-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO Cc1c(F)cccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127823309 1256404272 /nfs/dbraw/zinc/40/42/72/1256404272.db2.gz XGNFLMKVBPAYJC-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996899841 1256409242 /nfs/dbraw/zinc/40/92/42/1256409242.db2.gz LJQGZMXWKSUZDY-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO O=C(C1CC2(CC2)C1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996988800 1256620508 /nfs/dbraw/zinc/62/05/08/1256620508.db2.gz LSNINPVFPAGOTM-UHFFFAOYSA-N 1 0 349.456 2.927 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001127865732 1256802093 /nfs/dbraw/zinc/80/20/93/1256802093.db2.gz NGQXDIDWZZHTAC-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO CCCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997473022 1257702890 /nfs/dbraw/zinc/70/28/90/1257702890.db2.gz QLNVJZIWTXMZJX-UHFFFAOYSA-N 1 0 325.434 2.785 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843057505 1258394509 /nfs/dbraw/zinc/39/45/09/1258394509.db2.gz IWASMQLFGYEHGU-ZJUUUORDSA-N 1 0 328.210 2.526 20 5 EFBDRO CC1(C(=O)N2CCC(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000997800748 1258431949 /nfs/dbraw/zinc/43/19/49/1258431949.db2.gz CPCIGMNQASHLAZ-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000843822387 1260550905 /nfs/dbraw/zinc/55/09/05/1260550905.db2.gz ROVFVBXVZBMGSU-ZDUSSCGKSA-N 1 0 337.395 2.750 20 5 EFBDRO Cc1scc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001128118570 1261266215 /nfs/dbraw/zinc/26/62/15/1261266215.db2.gz WYTLHVQHJUZICT-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903780102 1261330443 /nfs/dbraw/zinc/33/04/43/1261330443.db2.gz DEFOMOYPNKPHHM-OCCSQVGLSA-N 1 0 340.221 2.684 20 5 EFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000890082078 1261463938 /nfs/dbraw/zinc/46/39/38/1261463938.db2.gz QINKOTMNKYMRJF-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC1([NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923343908 1261525497 /nfs/dbraw/zinc/52/54/97/1261525497.db2.gz CJIWXKCFSLHJSD-UHFFFAOYSA-N 1 0 328.210 2.671 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000923346406 1261533779 /nfs/dbraw/zinc/53/37/79/1261533779.db2.gz XLZXYGNJVKIPGW-IINYFYTJSA-N 1 0 342.237 2.917 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000923346410 1261533876 /nfs/dbraw/zinc/53/38/76/1261533876.db2.gz XLZXYGNJVKIPGW-YGRLFVJLSA-N 1 0 342.237 2.917 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H](C[NH3+])C1CC1 ZINC000923357010 1261554870 /nfs/dbraw/zinc/55/48/70/1261554870.db2.gz LSTKWDOPRZYYSI-CYBMUJFWSA-N 1 0 328.210 2.526 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923369703 1261564754 /nfs/dbraw/zinc/56/47/54/1261564754.db2.gz LQCZSHAKUFEKKX-ZDUSSCGKSA-N 1 0 342.237 2.835 20 5 EFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[NH2+]C1 ZINC000923427066 1261634349 /nfs/dbraw/zinc/63/43/49/1261634349.db2.gz XUHUCBYEGDWXGW-LBPRGKRZSA-N 1 0 328.210 2.541 20 5 EFBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000843151680 1262927850 /nfs/dbraw/zinc/92/78/50/1262927850.db2.gz AUNGQJLPQZFIPS-ZDUSSCGKSA-N 1 0 329.316 2.554 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000730107132 1264187023 /nfs/dbraw/zinc/18/70/23/1264187023.db2.gz XWLCWBKHPJEQSL-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO NC(Cc1cccs1)=NOCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000731028932 1264511514 /nfs/dbraw/zinc/51/15/14/1264511514.db2.gz KGWJRBARPLXQPS-UHFFFAOYSA-N 1 0 349.368 2.764 20 5 EFBDRO CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040559156 1264544890 /nfs/dbraw/zinc/54/48/90/1264544890.db2.gz KMNCBMNDTIIFTG-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040559160 1264546091 /nfs/dbraw/zinc/54/60/91/1264546091.db2.gz KTIWZBNFIBIAQN-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO Cc1cccc(C)c1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128395460 1264583912 /nfs/dbraw/zinc/58/39/12/1264583912.db2.gz KWPCZNLYZHGPLI-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001230688039 1264756904 /nfs/dbraw/zinc/75/69/04/1264756904.db2.gz JHTCHBBXRMOENC-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001003475290 1264798497 /nfs/dbraw/zinc/79/84/97/1264798497.db2.gz OVRMZOPTBSIXMN-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC2(CC2)C1 ZINC001003600114 1264946806 /nfs/dbraw/zinc/94/68/06/1264946806.db2.gz VKYZGMMVXPTXLL-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000733271978 1265139144 /nfs/dbraw/zinc/13/91/44/1265139144.db2.gz BKEYZWKCKTYPLB-KXKDPZRNSA-N 1 0 331.416 2.989 20 5 EFBDRO COC(=O)c1cc(NC(=O)CCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000736194353 1267533125 /nfs/dbraw/zinc/53/31/25/1267533125.db2.gz AMAVNAUBJRFPTE-UHFFFAOYSA-N 1 0 349.387 2.586 20 5 EFBDRO C[NH+](C)CCCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000791795510 1278353535 /nfs/dbraw/zinc/35/35/35/1278353535.db2.gz RRECUHSEZIAJPC-UHFFFAOYSA-N 1 0 335.385 2.827 20 5 EFBDRO CN(C(=O)C(C)(C)F)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005029972 1268428832 /nfs/dbraw/zinc/42/88/32/1268428832.db2.gz BFTGAKYHZUYGGI-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO CCc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000738431430 1268462264 /nfs/dbraw/zinc/46/22/64/1268462264.db2.gz RBWUSDRVAUOATD-UHFFFAOYSA-N 1 0 340.387 2.571 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000791894003 1278415305 /nfs/dbraw/zinc/41/53/05/1278415305.db2.gz LHRZXRSOVKRBMZ-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003095 1268788035 /nfs/dbraw/zinc/78/80/35/1268788035.db2.gz UUGPEBLMBCNJII-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO CN(C(=O)c1ccc[nH]1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005106907 1268861169 /nfs/dbraw/zinc/86/11/69/1268861169.db2.gz NICZNYMKDHRANN-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000740708927 1269001222 /nfs/dbraw/zinc/00/12/22/1269001222.db2.gz MDRFLCAWSNDUSQ-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000741014761 1269231578 /nfs/dbraw/zinc/23/15/78/1269231578.db2.gz YLWDGISPHBOHMR-INIZCTEOSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1ccc(COC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000741019157 1269251518 /nfs/dbraw/zinc/25/15/18/1269251518.db2.gz TYNNLPDWVJEORZ-AVGNSLFASA-N 1 0 336.388 2.908 20 5 EFBDRO COc1ccc(COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000741019158 1269251928 /nfs/dbraw/zinc/25/19/28/1269251928.db2.gz TYNNLPDWVJEORZ-FRRDWIJNSA-N 1 0 336.388 2.908 20 5 EFBDRO C[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000741028222 1269261990 /nfs/dbraw/zinc/26/19/90/1269261990.db2.gz FBXJAQPCTQEUOS-CQSZACIVSA-N 1 0 336.388 2.781 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115762 1269277691 /nfs/dbraw/zinc/27/76/91/1269277691.db2.gz UMQNNVJHNGZOGS-LLVKDONJSA-N 1 0 338.170 2.585 20 5 EFBDRO CN(C(=O)C1CC=CC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005199759 1269427034 /nfs/dbraw/zinc/42/70/34/1269427034.db2.gz WLAAGIKNRSTRGA-UHFFFAOYSA-N 1 0 343.427 2.984 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086024730 1269565351 /nfs/dbraw/zinc/56/53/51/1269565351.db2.gz HIDIJXUZGQPXGG-OTVXOJSOSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=CCCC1 ZINC001086059501 1269728805 /nfs/dbraw/zinc/72/88/05/1269728805.db2.gz HVQOPJRJQGZJDJ-FZNQNYSPSA-N 1 0 329.400 2.690 20 5 EFBDRO C[C@@H]1CCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000742386564 1270017202 /nfs/dbraw/zinc/01/72/02/1270017202.db2.gz HOGUIYDBJLZPGR-CQSZACIVSA-N 1 0 343.431 2.569 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001086191602 1270419505 /nfs/dbraw/zinc/41/95/05/1270419505.db2.gz ABLNSUQTDYWNHH-VDISTLRHSA-N 1 0 349.456 2.831 20 5 EFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncnc(Cl)c3[N+](=O)[O-])c2C1 ZINC001171091327 1278567956 /nfs/dbraw/zinc/56/79/56/1278567956.db2.gz QDJJBXVFWRMSAK-SECBINFHSA-N 1 0 343.774 2.798 20 5 EFBDRO COc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cnc1[N+](=O)[O-] ZINC001171092581 1278594255 /nfs/dbraw/zinc/59/42/55/1278594255.db2.gz AQXVLXSFXPIXST-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441433 1271049980 /nfs/dbraw/zinc/04/99/80/1271049980.db2.gz PKRALQSNDXBTPS-DZGCQCFKSA-N 1 0 344.415 2.934 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843862670 1278617102 /nfs/dbraw/zinc/61/71/02/1278617102.db2.gz GMHXUWCDDYOUHF-UHFFFAOYSA-N 1 0 325.384 2.846 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000843838901 1278623232 /nfs/dbraw/zinc/62/32/32/1278623232.db2.gz GXSMQQXHZPRJQZ-CQSZACIVSA-N 1 0 349.406 2.846 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000843876489 1278629929 /nfs/dbraw/zinc/62/99/29/1278629929.db2.gz OCVQPHNKYIRXGO-UHFFFAOYSA-N 1 0 349.406 2.990 20 5 EFBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000792196437 1278636112 /nfs/dbraw/zinc/63/61/12/1278636112.db2.gz JWYXYKCZBUSACR-UHFFFAOYSA-N 1 0 336.388 2.817 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086454322 1271562259 /nfs/dbraw/zinc/56/22/59/1271562259.db2.gz DGVDEOCFDFQLEV-OABLHMDDSA-N 1 0 349.456 2.687 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086454592 1271562305 /nfs/dbraw/zinc/56/23/05/1271562305.db2.gz WGVWXGWKZWJLEI-FKJNJTITSA-N 1 0 343.427 2.625 20 5 EFBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000745983609 1271709141 /nfs/dbraw/zinc/70/91/41/1271709141.db2.gz YTBYOWYHADNNDM-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000746396410 1272162803 /nfs/dbraw/zinc/16/28/03/1272162803.db2.gz QINQTJGYHXRNPG-CQSZACIVSA-N 1 0 348.472 2.955 20 5 EFBDRO Cc1ncn(-c2ccc3ncccc3c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790634 1272281216 /nfs/dbraw/zinc/28/12/16/1272281216.db2.gz QBZQMWCIDXJQQR-UHFFFAOYSA-N 1 0 343.412 2.829 20 5 EFBDRO [NH3+]Cc1ccc(Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001160401754 1278698257 /nfs/dbraw/zinc/69/82/57/1278698257.db2.gz ABPGEAGXUSCEIR-UHFFFAOYSA-N 1 0 348.672 2.654 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])nc3)n2)cc1 ZINC001212581291 1272434726 /nfs/dbraw/zinc/43/47/26/1272434726.db2.gz AHYOOLMXXPGQGP-UHFFFAOYSA-N 1 0 325.328 2.768 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c1 ZINC001034651454 1272440398 /nfs/dbraw/zinc/44/03/98/1272440398.db2.gz NMRVTJBLBQVLTO-WKILWMFISA-N 1 0 342.399 2.754 20 5 EFBDRO CCOC(=O)c1cc(-n2cnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001168845815 1272457465 /nfs/dbraw/zinc/45/74/65/1272457465.db2.gz GFJGQEHIAKZIAL-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978919 1272549024 /nfs/dbraw/zinc/54/90/24/1272549024.db2.gz VJFRAKRTDQZWBZ-TUVASFSCSA-N 1 0 341.452 2.857 20 5 EFBDRO C[C@@H]1[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168956953 1272554890 /nfs/dbraw/zinc/55/48/90/1272554890.db2.gz CYWJTJIKVFWSQN-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961279 1272556228 /nfs/dbraw/zinc/55/62/28/1272556228.db2.gz INFJKDWVTPPEBH-TUVASFSCSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961283 1272556532 /nfs/dbraw/zinc/55/65/32/1272556532.db2.gz INFJKDWVTPPEBH-YJNKXOJESA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168963666 1272557971 /nfs/dbraw/zinc/55/79/71/1272557971.db2.gz PLZVRSYEJIJPFV-ILXRZTDVSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964701 1272558107 /nfs/dbraw/zinc/55/81/07/1272558107.db2.gz VJFRAKRTDQZWBZ-BARDWOONSA-N 1 0 341.452 2.857 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970409 1272561550 /nfs/dbraw/zinc/56/15/50/1272561550.db2.gz HBZNIBIDYTVDGG-BARDWOONSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168974037 1272565815 /nfs/dbraw/zinc/56/58/15/1272565815.db2.gz PZEDZNPURWZZPF-JJRVBVJISA-N 1 0 341.452 2.669 20 5 EFBDRO CN(CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168973966 1272565835 /nfs/dbraw/zinc/56/58/35/1272565835.db2.gz PRSPKRYIOCSKQQ-KBPBESRZSA-N 1 0 329.441 2.669 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001168992028 1272569404 /nfs/dbraw/zinc/56/94/04/1272569404.db2.gz JARSAEHTJYYMKA-UAGQMJEPSA-N 1 0 337.851 2.949 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccc(F)cc2)C1 ZINC001168993350 1272570496 /nfs/dbraw/zinc/57/04/96/1272570496.db2.gz MVEIMMVDLHSJJN-HOCLYGCPSA-N 1 0 332.379 2.606 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc(F)cc1 ZINC001168995168 1272572227 /nfs/dbraw/zinc/57/22/27/1272572227.db2.gz RWDJEGCKSFQTDG-WQVCFCJDSA-N 1 0 337.395 2.824 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)C1 ZINC001168997145 1272573152 /nfs/dbraw/zinc/57/31/52/1272573152.db2.gz XXQLGAWREVOOLM-BPUTZDHNSA-N 1 0 337.851 2.949 20 5 EFBDRO COc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168997182 1272573603 /nfs/dbraw/zinc/57/36/03/1272573603.db2.gz YCRRMFWQIJPGAT-HOCLYGCPSA-N 1 0 334.416 2.736 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)C1 ZINC001168997450 1272573944 /nfs/dbraw/zinc/57/39/44/1272573944.db2.gz ZLKVFSURDGYUKI-PVAVHDDUSA-N 1 0 337.851 2.949 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3F)cn2)C1 ZINC001168997958 1272574435 /nfs/dbraw/zinc/57/44/35/1272574435.db2.gz GVPOSESVCJSWMD-ZFWWWQNUSA-N 1 0 332.379 2.606 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCCC1 ZINC001168998394 1272574540 /nfs/dbraw/zinc/57/45/40/1272574540.db2.gz MHEOTWMAMJBZGL-QSPRXWTASA-N 1 0 337.464 2.639 20 5 EFBDRO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997981 1272574804 /nfs/dbraw/zinc/57/48/04/1272574804.db2.gz GXLKMUSNKZCFQU-VGWMRTNUSA-N 1 0 339.480 2.885 20 5 EFBDRO COc1ccc(CC2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998548 1272574859 /nfs/dbraw/zinc/57/48/59/1272574859.db2.gz OLWOUTFIJNCHBT-IAGOWNOFSA-N 1 0 348.443 2.822 20 5 EFBDRO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997980 1272574952 /nfs/dbraw/zinc/57/49/52/1272574952.db2.gz GXLKMUSNKZCFQU-KLHDSHLOSA-N 1 0 339.480 2.885 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3cccc(F)c3)cn2)C1 ZINC001168998411 1272575518 /nfs/dbraw/zinc/57/55/18/1272575518.db2.gz MQWXEYFDHKNANP-GDBMZVCRSA-N 1 0 332.379 2.606 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168998435 1272575665 /nfs/dbraw/zinc/57/56/65/1272575665.db2.gz NAGNCQGAVWEATM-DDBAPUKQSA-N 1 0 345.443 2.763 20 5 EFBDRO CCN(CC)C(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169005429 1272579198 /nfs/dbraw/zinc/57/91/98/1272579198.db2.gz UHRVAMATMIZVIC-SJLPKXTDSA-N 1 0 347.459 2.746 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC001169007428 1272580308 /nfs/dbraw/zinc/58/03/08/1272580308.db2.gz NQPWCQVTRIREFS-STQMWFEESA-N 1 0 325.359 2.532 20 5 EFBDRO CC[C@]1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001169005882 1272580427 /nfs/dbraw/zinc/58/04/27/1272580427.db2.gz VMZPWZAAVLHWNI-KEYYUXOJSA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001169005879 1272581169 /nfs/dbraw/zinc/58/11/69/1272581169.db2.gz VIMRZVUCMDYJJS-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC[C@]1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001169005884 1272581692 /nfs/dbraw/zinc/58/16/92/1272581692.db2.gz VMZPWZAAVLHWNI-ZQIUZPCESA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001169009339 1272583001 /nfs/dbraw/zinc/58/30/01/1272583001.db2.gz VTNXXTQXYUIQEC-BBDZXRDTSA-N 1 0 329.444 2.763 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013399 1272585371 /nfs/dbraw/zinc/58/53/71/1272585371.db2.gz UUQXQNFANYIHBR-RRFJBIMHSA-N 1 0 341.452 2.621 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC001168988161 1272588495 /nfs/dbraw/zinc/58/84/95/1272588495.db2.gz OOYFHHOMIOIYAG-ONGXEEELSA-N 1 0 329.194 2.690 20 5 EFBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988300 1272588579 /nfs/dbraw/zinc/58/85/79/1272588579.db2.gz QNPMODFAWSAQSM-XQLPTFJDSA-N 1 0 341.452 2.667 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1Br ZINC001168986766 1272588613 /nfs/dbraw/zinc/58/86/13/1272588613.db2.gz ZBGHMRXIIIHRQY-NEPJUHHUSA-N 1 0 343.221 2.993 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168988070 1272588733 /nfs/dbraw/zinc/58/87/33/1272588733.db2.gz NHICZNQOZQLZBO-IHRRRGAJSA-N 1 0 343.468 2.961 20 5 EFBDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987866 1272589053 /nfs/dbraw/zinc/58/90/53/1272589053.db2.gz KZRGSBPYENKKDL-APIJFGDWSA-N 1 0 341.452 2.809 20 5 EFBDRO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)co2)cc1 ZINC001168987924 1272589254 /nfs/dbraw/zinc/58/92/54/1272589254.db2.gz LIMATWMPWIQEMS-OCCSQVGLSA-N 1 0 331.372 2.885 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169028415 1272591844 /nfs/dbraw/zinc/59/18/44/1272591844.db2.gz RYEJZPHRRUPMCI-GDBMZVCRSA-N 1 0 337.851 2.903 20 5 EFBDRO Cc1cnc(C[NH3+])n1-c1cc(C)c(Br)cc1[N+](=O)[O-] ZINC001169030774 1272595269 /nfs/dbraw/zinc/59/52/69/1272595269.db2.gz LSJGKJZIOMXFLH-UHFFFAOYSA-N 1 0 325.166 2.619 20 5 EFBDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034913 1272598037 /nfs/dbraw/zinc/59/80/37/1272598037.db2.gz INOXOSDLIIHNRK-APIJFGDWSA-N 1 0 341.452 2.809 20 5 EFBDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034915 1272598094 /nfs/dbraw/zinc/59/80/94/1272598094.db2.gz INOXOSDLIIHNRK-KBXIAJHMSA-N 1 0 341.452 2.809 20 5 EFBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001169035524 1272599388 /nfs/dbraw/zinc/59/93/88/1272599388.db2.gz BTOMFVQLYUQWJX-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3nn(-c4ccccc4)cc3C2)C1 ZINC001169036720 1272601075 /nfs/dbraw/zinc/60/10/75/1272601075.db2.gz HFXXTGYBQDCIIX-RHSMWYFYSA-N 1 0 326.400 2.676 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169036452 1272601673 /nfs/dbraw/zinc/60/16/73/1272601673.db2.gz OLWSKCASRLIRTP-KGLIPLIRSA-N 1 0 339.436 2.517 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3nn(-c4ccccc4)cc3C2)C1 ZINC001169036724 1272602173 /nfs/dbraw/zinc/60/21/73/1272602173.db2.gz HFXXTGYBQDCIIX-WMLDXEAASA-N 1 0 326.400 2.676 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169037559 1272604267 /nfs/dbraw/zinc/60/42/67/1272604267.db2.gz SMIBNSRVQDYCMB-WBVHZDCISA-N 1 0 337.851 2.903 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3nccc4ccccc43)CC2)C1 ZINC001169038001 1272606517 /nfs/dbraw/zinc/60/65/17/1272606517.db2.gz UZQNFJNFJIMXPR-NVXWUHKLSA-N 1 0 340.427 2.802 20 5 EFBDRO COc1ccccc1OC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039732 1272607559 /nfs/dbraw/zinc/60/75/59/1272607559.db2.gz SQMCSJXXNRVOOV-GJZGRUSLSA-N 1 0 334.416 2.984 20 5 EFBDRO COc1ccccc1OC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039734 1272608988 /nfs/dbraw/zinc/60/89/88/1272608988.db2.gz SQMCSJXXNRVOOV-LSDHHAIUSA-N 1 0 334.416 2.984 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)C1 ZINC001169040196 1272609645 /nfs/dbraw/zinc/60/96/45/1272609645.db2.gz YPNHLKUTBNONDZ-BYNSBNAKSA-N 1 0 338.411 2.962 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC001169040013 1272610368 /nfs/dbraw/zinc/61/03/68/1272610368.db2.gz WXWHXFIPWLOFJV-WBVHZDCISA-N 1 0 340.427 2.802 20 5 EFBDRO O=C1c2ccccc2CN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169041653 1272612733 /nfs/dbraw/zinc/61/27/33/1272612733.db2.gz BTUVIZGPEYRVLN-YOEHRIQHSA-N 1 0 343.427 2.552 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041599 1272612964 /nfs/dbraw/zinc/61/29/64/1272612964.db2.gz BLEHFJISZGPSGN-AJNGGQMLSA-N 1 0 339.436 2.516 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041591 1272612979 /nfs/dbraw/zinc/61/29/79/1272612979.db2.gz BIYUTRMXKOETHT-LXTVHRRPSA-N 1 0 341.452 2.809 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041605 1272613127 /nfs/dbraw/zinc/61/31/27/1272613127.db2.gz BLEHFJISZGPSGN-XGUBFFRZSA-N 1 0 339.436 2.516 20 5 EFBDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043598 1272615237 /nfs/dbraw/zinc/61/52/37/1272615237.db2.gz HEPGLBSBBRQVEQ-KBPBESRZSA-N 1 0 329.441 2.621 20 5 EFBDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1c1ccccc1 ZINC001169018853 1272618986 /nfs/dbraw/zinc/61/89/86/1272618986.db2.gz CROANHVQZGXBOB-DZJNRPSUSA-N 1 0 343.427 2.702 20 5 EFBDRO O=C(C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCCCC1 ZINC001169023839 1272620171 /nfs/dbraw/zinc/62/01/71/1272620171.db2.gz FPWWQAHGTADNHT-RDJZCZTQSA-N 1 0 337.464 2.546 20 5 EFBDRO C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169045513 1272622189 /nfs/dbraw/zinc/62/21/89/1272622189.db2.gz JKEQMSVTGUNESU-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001169026753 1272623848 /nfs/dbraw/zinc/62/38/48/1272623848.db2.gz NTMMYOJGUSZYQP-QAPCUYQASA-N 1 0 326.400 2.924 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169047450 1272624761 /nfs/dbraw/zinc/62/47/61/1272624761.db2.gz RALIELAQTUMDBP-CABCVRRESA-N 1 0 341.452 2.765 20 5 EFBDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047050 1272625140 /nfs/dbraw/zinc/62/51/40/1272625140.db2.gz QLVPLZOLOVPTMY-UAGQMJEPSA-N 1 0 334.416 2.886 20 5 EFBDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047049 1272625446 /nfs/dbraw/zinc/62/54/46/1272625446.db2.gz QLVPLZOLOVPTMY-BHYGNILZSA-N 1 0 334.416 2.886 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169048312 1272626757 /nfs/dbraw/zinc/62/67/57/1272626757.db2.gz UPAAHNQMLVWDOZ-WMLDXEAASA-N 1 0 328.416 2.669 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169050432 1272629305 /nfs/dbraw/zinc/62/93/05/1272629305.db2.gz ZPGBDCKNJUMEMF-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169054248 1272630599 /nfs/dbraw/zinc/63/05/99/1272630599.db2.gz LHZMCKLXJMWOJA-IWCQGFGOSA-N 1 0 332.400 2.668 20 5 EFBDRO CN(C(=O)c1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169053218 1272630927 /nfs/dbraw/zinc/63/09/27/1272630927.db2.gz IJROAISQFBIYMQ-CRAIPNDOSA-N 1 0 345.443 2.668 20 5 EFBDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055348 1272632292 /nfs/dbraw/zinc/63/22/92/1272632292.db2.gz PTWCYBJSIIKBJN-USXIJHARSA-N 1 0 343.427 2.552 20 5 EFBDRO CC1(C)C[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169139141 1272697726 /nfs/dbraw/zinc/69/77/26/1272697726.db2.gz YTRZEYQDVKNVBO-BONVTDFDSA-N 1 0 342.827 2.837 20 5 EFBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C[C@](C)(C[NH3+])C1 ZINC001169147715 1272709909 /nfs/dbraw/zinc/70/99/09/1272709909.db2.gz SSGBUBRREOTMIT-VOJFVSQTSA-N 1 0 346.431 2.794 20 5 EFBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C[C@@](C)(C[NH3+])C1 ZINC001169147708 1272710730 /nfs/dbraw/zinc/71/07/30/1272710730.db2.gz SSGBUBRREOTMIT-ADLMAVQZSA-N 1 0 346.431 2.794 20 5 EFBDRO COc1cccnc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169210779 1272742377 /nfs/dbraw/zinc/74/23/77/1272742377.db2.gz IYRSUVIQAAEJFI-UHFFFAOYSA-N 1 0 346.387 2.551 20 5 EFBDRO C[C@H]([NH3+])c1ccn(-c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001169234267 1272748303 /nfs/dbraw/zinc/74/83/03/1272748303.db2.gz WMUOVVXLBVIDSX-JTQLQIEISA-N 1 0 332.360 2.756 20 5 EFBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001156313754 1272940707 /nfs/dbraw/zinc/94/07/07/1272940707.db2.gz VRXYEHSKRLQPEI-UHFFFAOYSA-N 1 0 331.372 2.714 20 5 EFBDRO CCOC(=O)C1(Nc2c(C)cc(C)c([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC001169491655 1272982256 /nfs/dbraw/zinc/98/22/56/1272982256.db2.gz LWVZMHFZZATFHC-UHFFFAOYSA-N 1 0 349.431 2.959 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1C1CC1 ZINC001169694349 1273095340 /nfs/dbraw/zinc/09/53/40/1273095340.db2.gz XFJZDOYJPACBTP-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000704536297 1273444546 /nfs/dbraw/zinc/44/45/46/1273444546.db2.gz MOFOZEJUYLMOJN-AWEZNQCLSA-N 1 0 342.237 2.787 20 5 EFBDRO Cc1ccc(NCCCN(C)C(=O)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001109472659 1274324155 /nfs/dbraw/zinc/32/41/55/1274324155.db2.gz YKIZEYVHPSEJGI-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001109605250 1274472529 /nfs/dbraw/zinc/47/25/29/1274472529.db2.gz UCPFHEGZHMOLGE-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001109623496 1274481209 /nfs/dbraw/zinc/48/12/09/1274481209.db2.gz ZIHKSOPBAZMJNS-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO Clc1nc2ccc3ccccc3c2nc1NC[C@H]1COCC[NH2+]1 ZINC001170041346 1275032836 /nfs/dbraw/zinc/03/28/36/1275032836.db2.gz HIEYPZIFPDQXRO-LBPRGKRZSA-N 1 0 328.803 2.837 20 5 EFBDRO O=C(CC1(C(F)(F)F)CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129231437 1275196626 /nfs/dbraw/zinc/19/66/26/1275196626.db2.gz VQDKIOZDGXNPSI-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786833569 1275537808 /nfs/dbraw/zinc/53/78/08/1275537808.db2.gz LIPHOJISLWGUNR-ZDUSSCGKSA-N 1 0 340.383 2.975 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000786820351 1275553194 /nfs/dbraw/zinc/55/31/94/1275553194.db2.gz HLQIXZGANZNFTM-RKCSUWQLSA-N 1 0 348.399 2.510 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786859508 1275558081 /nfs/dbraw/zinc/55/80/81/1275558081.db2.gz SYEPMNYOLUGQSH-CQSZACIVSA-N 1 0 334.420 2.561 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086552640 1275743459 /nfs/dbraw/zinc/74/34/59/1275743459.db2.gz WQJHVHOHEMFRFX-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787315254 1275754808 /nfs/dbraw/zinc/75/48/08/1275754808.db2.gz PTMNBDHRPJGFIG-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294546 1278978404 /nfs/dbraw/zinc/97/84/04/1278978404.db2.gz AVEJFWWFQMELBZ-PXAZEXFGSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170296609 1278980856 /nfs/dbraw/zinc/98/08/56/1278980856.db2.gz GLJIYQINVOXZJA-CYBMUJFWSA-N 1 0 349.431 2.573 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCn2nc(C)cc2C)c([N+](=O)[O-])c1 ZINC001170298324 1278981177 /nfs/dbraw/zinc/98/11/77/1278981177.db2.gz IWHFXJDFYYNUEQ-LBPRGKRZSA-N 1 0 332.404 2.638 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170306414 1278982358 /nfs/dbraw/zinc/98/23/58/1278982358.db2.gz UUFXUUBYSZEQQW-KPZWWZAWSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC001170298628 1278983841 /nfs/dbraw/zinc/98/38/41/1278983841.db2.gz NCEZRHQHOIEPBR-NSHDSACASA-N 1 0 332.404 2.675 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001170299751 1278983861 /nfs/dbraw/zinc/98/38/61/1278983861.db2.gz WCHIXYVZZHVCSK-BBRMVZONSA-N 1 0 341.411 2.924 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000787750301 1275880167 /nfs/dbraw/zinc/88/01/67/1275880167.db2.gz OTLBPJDRVQUBFB-UHFFFAOYSA-N 1 0 343.374 2.877 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000787764132 1275883802 /nfs/dbraw/zinc/88/38/02/1275883802.db2.gz RHRIQSSJUWCBJB-UHFFFAOYSA-N 1 0 325.384 2.846 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000787767576 1275902043 /nfs/dbraw/zinc/90/20/43/1275902043.db2.gz RIRIAMXFWPENHY-MAVJXHJTSA-N 1 0 342.399 2.777 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2CO)c([N+](=O)[O-])c1 ZINC001170304913 1278990340 /nfs/dbraw/zinc/99/03/40/1278990340.db2.gz HWFTVGUHYIWSGU-ZDUSSCGKSA-N 1 0 330.384 2.817 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccccn2)c([N+](=O)[O-])c1 ZINC001170306447 1278991817 /nfs/dbraw/zinc/99/18/17/1278991817.db2.gz VHGRUIMVFWRXHB-ZDUSSCGKSA-N 1 0 331.372 2.598 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170305430 1278991897 /nfs/dbraw/zinc/99/18/97/1278991897.db2.gz KNRSVAAMKHYUEI-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000787978531 1276004549 /nfs/dbraw/zinc/00/45/49/1276004549.db2.gz MXYXZUKZFIMIPS-UHFFFAOYSA-N 1 0 347.415 2.838 20 5 EFBDRO CCOC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170314431 1279010750 /nfs/dbraw/zinc/01/07/50/1279010750.db2.gz VIXNOSZXRPCTCJ-LBPRGKRZSA-N 1 0 338.404 2.713 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503764 1276203009 /nfs/dbraw/zinc/20/30/09/1276203009.db2.gz NVHKNYYAHPXFLM-NSHDSACASA-N 1 0 329.356 2.799 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncn3ccccc23)c([N+](=O)[O-])c1 ZINC001170325443 1279015972 /nfs/dbraw/zinc/01/59/72/1279015972.db2.gz VJSRLHWCGRRLBV-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170317349 1279012236 /nfs/dbraw/zinc/01/22/36/1279012236.db2.gz GOHFITPVXGIUIM-SUMWQHHRSA-N 1 0 338.404 2.667 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170318327 1279012469 /nfs/dbraw/zinc/01/24/69/1279012469.db2.gz PAWFKDXSFNOZPW-ZFWWWQNUSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC001170318311 1279012509 /nfs/dbraw/zinc/01/25/09/1279012509.db2.gz OQLFMYWGVZHTQZ-ZDUSSCGKSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319652 1279013374 /nfs/dbraw/zinc/01/33/74/1279013374.db2.gz XXVBOSLASOVXSB-PBHICJAKSA-N 1 0 347.459 2.998 20 5 EFBDRO COc1ccc(C[C@H](C)n2c(C[NH3+])nc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326110 1279017501 /nfs/dbraw/zinc/01/75/01/1279017501.db2.gz DWJJUYDPWUIXGG-NSHDSACASA-N 1 0 341.371 2.611 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc3ccccn3n2)c([N+](=O)[O-])c1 ZINC001170326811 1279017679 /nfs/dbraw/zinc/01/76/79/1279017679.db2.gz NQWAUOSTOZKGFD-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2COc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326425 1279018620 /nfs/dbraw/zinc/01/86/20/1279018620.db2.gz JMWROIHCPORCKD-JSGCOSHPSA-N 1 0 343.383 2.695 20 5 EFBDRO CC[N@H+](CCCC(=O)OC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170328260 1279019297 /nfs/dbraw/zinc/01/92/97/1279019297.db2.gz IQMOAMVOSKCDMX-ZDUSSCGKSA-N 1 0 338.404 2.810 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccncc2OC)c([N+](=O)[O-])c1 ZINC001170328058 1279019403 /nfs/dbraw/zinc/01/94/03/1279019403.db2.gz UIZDCJACKQZMQD-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccncc2)c([N+](=O)[O-])c1 ZINC001170329251 1279019646 /nfs/dbraw/zinc/01/96/46/1279019646.db2.gz YJEMIZMNQHDQQF-CYBMUJFWSA-N 1 0 331.372 2.598 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CCOC3)o2)cc1 ZINC000922939473 1276365007 /nfs/dbraw/zinc/36/50/07/1276365007.db2.gz PHYYEALNEUQUKT-MRXNPFEDSA-N 1 0 332.356 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@H]3CCOC3)o2)cc1 ZINC000922939472 1276365559 /nfs/dbraw/zinc/36/55/59/1276365559.db2.gz PHYYEALNEUQUKT-INIZCTEOSA-N 1 0 332.356 2.750 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170352871 1279031644 /nfs/dbraw/zinc/03/16/44/1279031644.db2.gz SIRDWDGHRGHJAX-AWEZNQCLSA-N 1 0 333.432 2.705 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000818023251 1276436203 /nfs/dbraw/zinc/43/62/03/1276436203.db2.gz IEJCGFQOEOTRBH-SCVCMEIPSA-N 1 0 325.796 2.694 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170353603 1279034296 /nfs/dbraw/zinc/03/42/96/1279034296.db2.gz ZXGJWTPSMNZZQE-BMFZPTHFSA-N 1 0 333.432 2.703 20 5 EFBDRO CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC001170894125 1276500887 /nfs/dbraw/zinc/50/08/87/1276500887.db2.gz LWUPZVDLBCMPKR-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000818344030 1276511330 /nfs/dbraw/zinc/51/13/30/1276511330.db2.gz HMVGLHZELAJVIR-HNNXBMFYSA-N 1 0 329.404 2.626 20 5 EFBDRO [NH3+]Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000818433523 1276516962 /nfs/dbraw/zinc/51/69/62/1276516962.db2.gz AXYBKUVUEBJYDL-UHFFFAOYSA-N 1 0 327.384 2.806 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522405 1276524792 /nfs/dbraw/zinc/52/47/92/1276524792.db2.gz SRXLRIAKOUPYKP-TVQRCGJNSA-N 1 0 343.786 2.564 20 5 EFBDRO CC(C)(C(=O)NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000818535252 1276527341 /nfs/dbraw/zinc/52/73/41/1276527341.db2.gz FVMVPOJDFUDTET-UHFFFAOYSA-N 1 0 341.411 2.690 20 5 EFBDRO CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000818544998 1276532634 /nfs/dbraw/zinc/53/26/34/1276532634.db2.gz YGINBODDBVWBDI-LLVKDONJSA-N 1 0 343.786 2.530 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2C1 ZINC000818563797 1276535066 /nfs/dbraw/zinc/53/50/66/1276535066.db2.gz RDBWKPCFVIBGLN-NSHDSACASA-N 1 0 346.774 2.712 20 5 EFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818961851 1276550161 /nfs/dbraw/zinc/55/01/61/1276550161.db2.gz VUJYDGRKKHZRAQ-QGZVFWFLSA-N 1 0 330.384 2.914 20 5 EFBDRO O=C(CC[NH2+]CCSC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000818962716 1276550780 /nfs/dbraw/zinc/55/07/80/1276550780.db2.gz WQARYQRGQXBPJE-UHFFFAOYSA-N 1 0 337.323 2.766 20 5 EFBDRO Cc1cccc(OCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818944050 1276555041 /nfs/dbraw/zinc/55/50/41/1276555041.db2.gz DRXXPTQDLJWBAJ-GOSISDBHSA-N 1 0 330.384 2.995 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000818956886 1276558244 /nfs/dbraw/zinc/55/82/44/1276558244.db2.gz ATSPPFNGWPXGRW-ROUUACIJSA-N 1 0 335.448 2.728 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000818957010 1276558859 /nfs/dbraw/zinc/55/88/59/1276558859.db2.gz PSDDFZNKZOGCKP-KDOFPFPSSA-N 1 0 329.400 2.743 20 5 EFBDRO CCCOc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977233 1276559097 /nfs/dbraw/zinc/55/90/97/1276559097.db2.gz UERVNQYWLZAMPB-MRXNPFEDSA-N 1 0 331.372 2.602 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000818958560 1276560736 /nfs/dbraw/zinc/56/07/36/1276560736.db2.gz QUUNJAZSYFYYDP-ROUUACIJSA-N 1 0 335.448 2.728 20 5 EFBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818960835 1276560753 /nfs/dbraw/zinc/56/07/53/1276560753.db2.gz JVKVZDLGYILKBN-MRXNPFEDSA-N 1 0 331.372 2.600 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000818979960 1276560916 /nfs/dbraw/zinc/56/09/16/1276560916.db2.gz FEGZXWNHEBJNGB-IBGZPJMESA-N 1 0 341.411 2.671 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000818979351 1276560982 /nfs/dbraw/zinc/56/09/82/1276560982.db2.gz ZCIBKAZHQPDUQL-QGZVFWFLSA-N 1 0 340.383 2.727 20 5 EFBDRO CCN(CC)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818980426 1276562269 /nfs/dbraw/zinc/56/22/69/1276562269.db2.gz KDJQZVHQVZJFAX-DLBZAZTESA-N 1 0 347.415 2.894 20 5 EFBDRO CCN(CC)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818980907 1276562507 /nfs/dbraw/zinc/56/25/07/1276562507.db2.gz PDHUMLBEIPHAMV-IAGOWNOFSA-N 1 0 347.415 2.894 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000818980361 1276562892 /nfs/dbraw/zinc/56/28/92/1276562892.db2.gz IVFQLDKHUVJEAG-OALUTQOASA-N 1 0 343.427 2.829 20 5 EFBDRO CCCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818990153 1276565003 /nfs/dbraw/zinc/56/50/03/1276565003.db2.gz GGVBLMLBRRBMDD-MSOLQXFVSA-N 1 0 335.448 2.872 20 5 EFBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991185 1276565200 /nfs/dbraw/zinc/56/52/00/1276565200.db2.gz YLOCNZCQTIJDJK-ROUUACIJSA-N 1 0 335.448 2.872 20 5 EFBDRO Cc1ccc(OCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818991997 1276566285 /nfs/dbraw/zinc/56/62/85/1276566285.db2.gz MQGKARKRJYIVLQ-GOSISDBHSA-N 1 0 330.384 2.995 20 5 EFBDRO CN(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000818967746 1276572265 /nfs/dbraw/zinc/57/22/65/1276572265.db2.gz AOFQCWBBUGUIQH-GOSISDBHSA-N 1 0 347.390 2.883 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000819042681 1276578877 /nfs/dbraw/zinc/57/88/77/1276578877.db2.gz RAPUWVNHGLIKTN-PBHICJAKSA-N 1 0 328.368 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000819046817 1276579302 /nfs/dbraw/zinc/57/93/02/1276579302.db2.gz UDRVXJRKMSEQNR-MRXNPFEDSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)cc1 ZINC000819060226 1276586324 /nfs/dbraw/zinc/58/63/24/1276586324.db2.gz MEOZYHCHOBQVKO-MSOLQXFVSA-N 1 0 328.368 2.532 20 5 EFBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819014595 1276589651 /nfs/dbraw/zinc/58/96/51/1276589651.db2.gz QXYSGUMYLQOJIJ-MRXNPFEDSA-N 1 0 334.347 2.608 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000819072570 1276619599 /nfs/dbraw/zinc/61/95/99/1276619599.db2.gz FNXFVOFHSANJEB-APWZRJJASA-N 1 0 341.411 2.887 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000819072573 1276619989 /nfs/dbraw/zinc/61/99/89/1276619989.db2.gz FNXFVOFHSANJEB-VQIMIIECSA-N 1 0 341.411 2.887 20 5 EFBDRO C[C@@H](O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000819132222 1276623185 /nfs/dbraw/zinc/62/31/85/1276623185.db2.gz UASZAPMBCFDCDL-CYBMUJFWSA-N 1 0 343.383 2.767 20 5 EFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819109735 1276635323 /nfs/dbraw/zinc/63/53/23/1276635323.db2.gz ZVPCSOADTDQBRJ-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116482 1276637537 /nfs/dbraw/zinc/63/75/37/1276637537.db2.gz ZEUNLAYKLFPEDC-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116674 1276637694 /nfs/dbraw/zinc/63/76/94/1276637694.db2.gz XEFYJAGRGDVVRC-BBRMVZONSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116675 1276637800 /nfs/dbraw/zinc/63/78/00/1276637800.db2.gz XEFYJAGRGDVVRC-CJNGLKHVSA-N 1 0 346.383 2.694 20 5 EFBDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789331466 1276663179 /nfs/dbraw/zinc/66/31/79/1276663179.db2.gz LVOMEKAXMWGSHQ-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819216509 1276693210 /nfs/dbraw/zinc/69/32/10/1276693210.db2.gz VFYAOOXOQLPXRU-GUYCJALGSA-N 1 0 345.399 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000819222929 1276695198 /nfs/dbraw/zinc/69/51/98/1276695198.db2.gz BFDIMEJRDSYQFP-AWEZNQCLSA-N 1 0 340.301 2.878 20 5 EFBDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000819233900 1276701470 /nfs/dbraw/zinc/70/14/70/1276701470.db2.gz VCBBEFHOZNPKSZ-DLBZAZTESA-N 1 0 344.367 2.750 20 5 EFBDRO CCO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819266020 1276719283 /nfs/dbraw/zinc/71/92/83/1276719283.db2.gz KYOAZMVBOLRICG-QZTJIDSGSA-N 1 0 330.384 2.996 20 5 EFBDRO Cc1cccc2c1OC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819324193 1276726646 /nfs/dbraw/zinc/72/66/46/1276726646.db2.gz VPFBSPOLZOEAOQ-WBVHZDCISA-N 1 0 328.368 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000819342837 1276735334 /nfs/dbraw/zinc/73/53/34/1276735334.db2.gz WWSJGHAIYZVKGU-CYBMUJFWSA-N 1 0 341.289 2.832 20 5 EFBDRO CO[C@@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819345471 1276737578 /nfs/dbraw/zinc/73/75/78/1276737578.db2.gz GUQLRUXXAOFIRM-ROUUACIJSA-N 1 0 330.384 2.780 20 5 EFBDRO CC[C@H](C)N[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000819386744 1276766897 /nfs/dbraw/zinc/76/68/97/1276766897.db2.gz CJIHEPWWZZHQCK-JQFCIGGWSA-N 1 0 347.415 2.940 20 5 EFBDRO CC[C@H](C)N[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000819386561 1276767580 /nfs/dbraw/zinc/76/75/80/1276767580.db2.gz AXEQHCOXNIMTKN-IAOVAPTHSA-N 1 0 347.415 2.940 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000789511686 1276769006 /nfs/dbraw/zinc/76/90/06/1276769006.db2.gz DZXAUOUUWRUYRX-NVXWUHKLSA-N 1 0 330.388 2.854 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923191673 1277207335 /nfs/dbraw/zinc/20/73/35/1277207335.db2.gz ZETVKRYKJSDCKG-TZMCWYRMSA-N 1 0 334.420 2.828 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820609697 1277242457 /nfs/dbraw/zinc/24/24/57/1277242457.db2.gz SCAXUNLUPBVPIE-SCTDSRPQSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746878039 1277242509 /nfs/dbraw/zinc/24/25/09/1277242509.db2.gz QQJZAEVWTSUMJR-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000820633808 1277256820 /nfs/dbraw/zinc/25/68/20/1277256820.db2.gz IYDGXEFCUVZLCW-UHFFFAOYSA-N 1 0 340.221 2.889 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000820670390 1277272215 /nfs/dbraw/zinc/27/22/15/1277272215.db2.gz NRWLWTUIWYXKKU-NSHDSACASA-N 1 0 343.786 2.546 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000821031556 1277405822 /nfs/dbraw/zinc/40/58/22/1277405822.db2.gz UZYIUTBNRMASPZ-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO [NH3+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923277484 1277462256 /nfs/dbraw/zinc/46/22/56/1277462256.db2.gz QIKZLQQJHQMJEL-UHFFFAOYSA-N 1 0 328.210 2.528 20 5 EFBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CC[C@H](C)C1 ZINC000790476361 1277586032 /nfs/dbraw/zinc/58/60/32/1277586032.db2.gz CITWHNJQANCTHB-GXTWGEPZSA-N 1 0 347.419 2.742 20 5 EFBDRO CN(Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1[N+](=O)[O-] ZINC000871796045 1287295358 /nfs/dbraw/zinc/29/53/58/1287295358.db2.gz GDAGZMXUPWLMRO-YHWZYXNKSA-N 1 0 343.387 2.612 20 5 EFBDRO O=C(Cc1ccc(F)cc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175042221 1287303914 /nfs/dbraw/zinc/30/39/14/1287303914.db2.gz PFRDZCOQBPKZQL-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO Cc1cnc(COC(=O)c2ccc3c[nH+]cn3c2)c(C)c1[N+](=O)[O-] ZINC000791000042 1277900296 /nfs/dbraw/zinc/90/02/96/1277900296.db2.gz AEKXOAFSKYMULT-UHFFFAOYSA-N 1 0 326.312 2.611 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1F ZINC000791045365 1277928284 /nfs/dbraw/zinc/92/82/84/1277928284.db2.gz VNCPPRVQOBGJJO-AWEZNQCLSA-N 1 0 337.395 2.893 20 5 EFBDRO O=[N+]([O-])CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000791054467 1277930873 /nfs/dbraw/zinc/93/08/73/1277930873.db2.gz VJTWKPFXBLYNTF-UHFFFAOYSA-N 1 0 325.412 2.670 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000791060772 1277933959 /nfs/dbraw/zinc/93/39/59/1277933959.db2.gz MPGWWVAZMRPRGP-CQSZACIVSA-N 1 0 341.358 2.723 20 5 EFBDRO COC(=O)CCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307213 1279030720 /nfs/dbraw/zinc/03/07/20/1279030720.db2.gz FJVHQRYEMHEDIB-ZDUSSCGKSA-N 1 0 338.404 2.857 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347944 1279054533 /nfs/dbraw/zinc/05/45/33/1279054533.db2.gz TVFNNPWLQNEXBA-HOCLYGCPSA-N 1 0 333.432 2.705 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844640718 1279160649 /nfs/dbraw/zinc/16/06/49/1279160649.db2.gz KHYHVJMELBCJSU-HBNTYKKESA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844642209 1279161900 /nfs/dbraw/zinc/16/19/00/1279161900.db2.gz HYTYJSLTKCXDSS-GMTAPVOTSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844642210 1279161978 /nfs/dbraw/zinc/16/19/78/1279161978.db2.gz HYTYJSLTKCXDSS-HBNTYKKESA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878744 1279233118 /nfs/dbraw/zinc/23/31/18/1279233118.db2.gz ZULMYCPBPHIGDO-BLLLJJGKSA-N 1 0 345.355 2.757 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878746 1279233128 /nfs/dbraw/zinc/23/31/28/1279233128.db2.gz ZULMYCPBPHIGDO-MLGOLLRUSA-N 1 0 345.355 2.757 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792929827 1279282946 /nfs/dbraw/zinc/28/29/46/1279282946.db2.gz ZINLCGATZSJRNG-QGZVFWFLSA-N 1 0 330.388 2.539 20 5 EFBDRO C[NH+](C)C1(CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000845496179 1279681035 /nfs/dbraw/zinc/68/10/35/1279681035.db2.gz QZPDSYIUSJSTFM-UHFFFAOYSA-N 1 0 331.775 2.910 20 5 EFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845663240 1279774784 /nfs/dbraw/zinc/77/47/84/1279774784.db2.gz OXOUJXMMIBXPMA-ZDUSSCGKSA-N 1 0 334.372 2.585 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793794714 1279876233 /nfs/dbraw/zinc/87/62/33/1279876233.db2.gz CJBKOMBZYXRYSN-CYBMUJFWSA-N 1 0 347.444 2.886 20 5 EFBDRO C[C@H](CC(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])n1ccnc1 ZINC000845882332 1279904693 /nfs/dbraw/zinc/90/46/93/1279904693.db2.gz SRRJKLISPKCXFS-HSMVNMDESA-N 1 0 335.335 2.923 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000794219517 1280074592 /nfs/dbraw/zinc/07/45/92/1280074592.db2.gz MAILCSMQQTWWDY-CYBMUJFWSA-N 1 0 336.436 2.511 20 5 EFBDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040964 1287409702 /nfs/dbraw/zinc/40/97/02/1287409702.db2.gz OPXFVAOXUCZWNG-NSHDSACASA-N 1 0 335.433 2.821 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000872048210 1287411982 /nfs/dbraw/zinc/41/19/82/1287411982.db2.gz HLUMMVDBFFEPJB-NEPJUHHUSA-N 1 0 337.445 2.977 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CCOCC1 ZINC000872059862 1287415520 /nfs/dbraw/zinc/41/55/20/1287415520.db2.gz JFBGHJMNKLEXQC-XHDPSFHLSA-N 1 0 340.445 2.755 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001091350288 1280384069 /nfs/dbraw/zinc/38/40/69/1280384069.db2.gz KUYUGOAOFKLGJX-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001175415620 1287420849 /nfs/dbraw/zinc/42/08/49/1287420849.db2.gz NOHSDVPMHXZCPH-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC001130109215 1280471483 /nfs/dbraw/zinc/47/14/83/1280471483.db2.gz DRSMDXVRWVHMSL-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000846907781 1280630545 /nfs/dbraw/zinc/63/05/45/1280630545.db2.gz JGVPRHUSYSLECH-ZDUSSCGKSA-N 1 0 328.328 2.888 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001157941723 1280657740 /nfs/dbraw/zinc/65/77/40/1280657740.db2.gz BGNJAJVBIARBKJ-UHFFFAOYSA-N 1 0 336.770 2.870 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)(F)F)CCC1 ZINC001130316078 1280700846 /nfs/dbraw/zinc/70/08/46/1280700846.db2.gz XYWAYZKHGGZECZ-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001091458971 1280736859 /nfs/dbraw/zinc/73/68/59/1280736859.db2.gz KUYUGOAOFKLGJX-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001091462304 1280742919 /nfs/dbraw/zinc/74/29/19/1280742919.db2.gz LEKKCSQOADJGSF-SHTZXODSSA-N 1 0 348.447 2.550 20 5 EFBDRO Cc1cc(N[C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001091462317 1280743265 /nfs/dbraw/zinc/74/32/65/1280743265.db2.gz LSBNFDMOLIDBQD-KOMQPUFPSA-N 1 0 348.447 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171286563 1281046297 /nfs/dbraw/zinc/04/62/97/1281046297.db2.gz WWQCQJGINRDHCN-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147106510 1281107270 /nfs/dbraw/zinc/10/72/70/1281107270.db2.gz RKUACBCGHFYUFT-PJQLUOCWSA-N 1 0 343.427 2.985 20 5 EFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000807681125 1281388453 /nfs/dbraw/zinc/38/84/53/1281388453.db2.gz ZBQGCJMVGSYAMV-FZMZJTMJSA-N 1 0 346.387 2.629 20 5 EFBDRO Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001171328511 1281490688 /nfs/dbraw/zinc/49/06/88/1281490688.db2.gz ADDBANKHMGUWTA-AWEZNQCLSA-N 1 0 327.388 2.914 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000872252634 1287502813 /nfs/dbraw/zinc/50/28/13/1287502813.db2.gz UNPYLVBEWKTWPI-OKZBNKHCSA-N 1 0 330.384 2.730 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000872251572 1287503314 /nfs/dbraw/zinc/50/33/14/1287503314.db2.gz OPUTVYIBFXJYDB-KSZLIROESA-N 1 0 330.384 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc(Oc2ncc(NC[C@H]3CCCC[NH2+]3)cn2)cc1 ZINC001171332967 1281634284 /nfs/dbraw/zinc/63/42/84/1281634284.db2.gz BGBXNGIOVWZBCP-GFCCVEGCSA-N 1 0 329.360 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000809354101 1282171379 /nfs/dbraw/zinc/17/13/79/1282171379.db2.gz CNBDCBCTOODNRF-GFCCVEGCSA-N 1 0 341.358 2.691 20 5 EFBDRO [NH3+]CCN(Cc1c(Cl)nc2ccccn21)c1ccccc1[N+](=O)[O-] ZINC000809728299 1282408930 /nfs/dbraw/zinc/40/89/30/1282408930.db2.gz RSGZWPLPKIGXCJ-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733244 1282412063 /nfs/dbraw/zinc/41/20/63/1282412063.db2.gz SLTKPRQNJMYOTB-SCLBCKFNSA-N 1 0 330.384 2.945 20 5 EFBDRO [NH3+]CCN(CCCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809735234 1282414294 /nfs/dbraw/zinc/41/42/94/1282414294.db2.gz WOCKGKFBJWOQNH-UHFFFAOYSA-N 1 0 341.411 2.928 20 5 EFBDRO Cc1ccc2nc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000809735185 1282414649 /nfs/dbraw/zinc/41/46/49/1282414649.db2.gz UNNPMNPLTUCDIR-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCCC1 ZINC000809772494 1282432420 /nfs/dbraw/zinc/43/24/20/1282432420.db2.gz ZJCLYBUOQRVFDC-CYBMUJFWSA-N 1 0 337.807 2.693 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000809738106 1282437587 /nfs/dbraw/zinc/43/75/87/1282437587.db2.gz SQKUHCGDPALSNG-AWEZNQCLSA-N 1 0 341.839 2.791 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000825602892 1287581987 /nfs/dbraw/zinc/58/19/87/1287581987.db2.gz OLJXWEOJWKDSOZ-AWEZNQCLSA-N 1 0 337.807 2.852 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809991964 1282722197 /nfs/dbraw/zinc/72/21/97/1282722197.db2.gz QBYHOUYVCOKMIM-ZWKOTPCHSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809991962 1282722424 /nfs/dbraw/zinc/72/24/24/1282722424.db2.gz QBYHOUYVCOKMIM-ROUUACIJSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000809992682 1282726128 /nfs/dbraw/zinc/72/61/28/1282726128.db2.gz NYEXKSCQCOKLSE-ROUUACIJSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC001132331030 1283341648 /nfs/dbraw/zinc/34/16/48/1283341648.db2.gz JAOBCLHNLCGALL-UHFFFAOYSA-N 1 0 347.440 2.840 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171400941 1283407043 /nfs/dbraw/zinc/40/70/43/1283407043.db2.gz PYNLZARXLGOYDW-ZDUSSCGKSA-N 1 0 329.356 2.851 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628198 1287645272 /nfs/dbraw/zinc/64/52/72/1287645272.db2.gz UHLRWWRLBKWKAX-LLVKDONJSA-N 1 0 325.372 2.915 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810843796 1283730403 /nfs/dbraw/zinc/73/04/03/1283730403.db2.gz GZPCYAVXQMFCRE-UONOGXRCSA-N 1 0 333.388 2.567 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810843795 1283730861 /nfs/dbraw/zinc/73/08/61/1283730861.db2.gz GZPCYAVXQMFCRE-KGLIPLIRSA-N 1 0 333.388 2.567 20 5 EFBDRO COc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cnc1[N+](=O)[O-] ZINC001170627438 1284104446 /nfs/dbraw/zinc/10/44/46/1284104446.db2.gz QZNBXKJQMNGXGV-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000811477103 1284362743 /nfs/dbraw/zinc/36/27/43/1284362743.db2.gz FRJDMHMXPFVEHS-GFCCVEGCSA-N 1 0 349.214 2.779 20 5 EFBDRO Cc1nn(CN2CC[C@@]3(C2)CCc2ccccc2O3)c(C)c1[N+](=O)[O-] ZINC000811782876 1284599176 /nfs/dbraw/zinc/59/91/76/1284599176.db2.gz LSANTXMOBVHNJB-GOSISDBHSA-N 1 0 342.399 2.835 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811803418 1284632152 /nfs/dbraw/zinc/63/21/52/1284632152.db2.gz LRWMHSGOKXRUET-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CC2([NH+](C)C)CCCC2)c1 ZINC001094006673 1284692524 /nfs/dbraw/zinc/69/25/24/1284692524.db2.gz AUKILHFJQHDUON-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]ccc2c1 ZINC001133136167 1284852656 /nfs/dbraw/zinc/85/26/56/1284852656.db2.gz JQXXKMXUDFLTJR-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)NCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001094568295 1285330279 /nfs/dbraw/zinc/33/02/79/1285330279.db2.gz OXKUDSKLFTVQQX-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO O=C(NCC[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813378968 1285871043 /nfs/dbraw/zinc/87/10/43/1285871043.db2.gz UOEFMLXNZNRZQO-UHFFFAOYSA-N 1 0 332.187 2.727 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001171903064 1285891095 /nfs/dbraw/zinc/89/10/95/1285891095.db2.gz AUIXIMJYZHPHJU-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000813417380 1285895332 /nfs/dbraw/zinc/89/53/32/1285895332.db2.gz HWHMBBFPMDFZKK-LBPRGKRZSA-N 1 0 346.214 2.972 20 5 EFBDRO C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813629787 1286026367 /nfs/dbraw/zinc/02/63/67/1286026367.db2.gz BUZCDFSKIRBKEL-CYBMUJFWSA-N 1 0 329.404 2.553 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000813619308 1286026413 /nfs/dbraw/zinc/02/64/13/1286026413.db2.gz RXWVKBMJJOWABT-OAHLLOKOSA-N 1 0 349.337 2.906 20 5 EFBDRO CCc1oc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001170994603 1289061051 /nfs/dbraw/zinc/06/10/51/1289061051.db2.gz IZGKHXMMRPFSFQ-UHFFFAOYSA-N 1 0 345.399 2.968 20 5 EFBDRO CCOC(=O)CN(CC[NH3+])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001170994868 1289062989 /nfs/dbraw/zinc/06/29/89/1289062989.db2.gz ASMHKJDGXYUFCC-UHFFFAOYSA-N 1 0 343.383 2.590 20 5 EFBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnco1 ZINC001179166010 1289063518 /nfs/dbraw/zinc/06/35/18/1289063518.db2.gz AUOXQQZJTLOTME-UHFFFAOYSA-N 1 0 346.387 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1ccncc1)CC2 ZINC001172902947 1286307551 /nfs/dbraw/zinc/30/75/51/1286307551.db2.gz NJBKVWIXLYDHIZ-SJLPKXTDSA-N 1 0 327.384 2.560 20 5 EFBDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)N(C)C ZINC001172902575 1286307616 /nfs/dbraw/zinc/30/76/16/1286307616.db2.gz FDHZGCIDCPBHNS-XCRHUMRWSA-N 1 0 347.459 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cn(CCF)cn1)CC2 ZINC001172902859 1286308097 /nfs/dbraw/zinc/30/80/97/1286308097.db2.gz COERYXKRSAVRBT-OAHLLOKOSA-N 1 0 332.379 2.798 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904607 1286308570 /nfs/dbraw/zinc/30/85/70/1286308570.db2.gz OOHLCVLKXJRKOE-HNNXBMFYSA-N 1 0 347.415 2.663 20 5 EFBDRO O=C1COC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172904862 1286308935 /nfs/dbraw/zinc/30/89/35/1286308935.db2.gz OUFRMZXBNRZBDQ-MRXNPFEDSA-N 1 0 344.411 2.666 20 5 EFBDRO Cc1noc(C2([NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172905122 1286309039 /nfs/dbraw/zinc/30/90/39/1286309039.db2.gz QNIJGZQIWJFADF-AWEZNQCLSA-N 1 0 328.372 2.813 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccncc1)CC2 ZINC001172905286 1286309259 /nfs/dbraw/zinc/30/92/59/1286309259.db2.gz IAJPRSXIBYLKKF-AEFFLSMTSA-N 1 0 327.384 2.560 20 5 EFBDRO COC(=O)N1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905602 1286309619 /nfs/dbraw/zinc/30/96/19/1286309619.db2.gz SPGLMFPJLBOAIG-MRXNPFEDSA-N 1 0 347.415 2.616 20 5 EFBDRO CCOc1nccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172905518 1286310179 /nfs/dbraw/zinc/31/01/79/1286310179.db2.gz RUGMJBXJPHNQGF-OAHLLOKOSA-N 1 0 342.399 2.821 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccnn1CCF)CC2 ZINC001172905713 1286310260 /nfs/dbraw/zinc/31/02/60/1286310260.db2.gz JVBFCYHHHLSRLD-HNNXBMFYSA-N 1 0 332.379 2.798 20 5 EFBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905879 1286310308 /nfs/dbraw/zinc/31/03/08/1286310308.db2.gz LJOOJCRHFRDZKF-KZNAEPCWSA-N 1 0 345.443 2.879 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908597 1286311239 /nfs/dbraw/zinc/31/12/39/1286311239.db2.gz XLPKNRGYKSQEHJ-OAHLLOKOSA-N 1 0 332.400 2.918 20 5 EFBDRO NC(=O)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172908830 1286311259 /nfs/dbraw/zinc/31/12/59/1286311259.db2.gz ZPIPPRYIFRMTCR-SJLPKXTDSA-N 1 0 339.395 2.658 20 5 EFBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912446 1286322908 /nfs/dbraw/zinc/32/29/08/1286322908.db2.gz ALVAYYMLSYHVRD-HZPDHXFCSA-N 1 0 332.400 2.727 20 5 EFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC12CC2 ZINC001172913719 1286326284 /nfs/dbraw/zinc/32/62/84/1286326284.db2.gz UMCFAWGTSLPMFO-WBVHZDCISA-N 1 0 344.411 2.727 20 5 EFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC12CC2 ZINC001172913717 1286326843 /nfs/dbraw/zinc/32/68/43/1286326843.db2.gz UMCFAWGTSLPMFO-NVXWUHKLSA-N 1 0 344.411 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(n3cnnc3)CC1)CC2 ZINC001172920257 1286328272 /nfs/dbraw/zinc/32/82/72/1286328272.db2.gz JILOYBZGKMZWPJ-MRXNPFEDSA-N 1 0 341.415 2.771 20 5 EFBDRO Cc1nc2c(n1[C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C[NH2+]CC2 ZINC001172921004 1286328897 /nfs/dbraw/zinc/32/88/97/1286328897.db2.gz NTNYUOLRCHPGSY-OAHLLOKOSA-N 1 0 326.400 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)CC2 ZINC001172920522 1286329092 /nfs/dbraw/zinc/32/90/92/1286329092.db2.gz KAROYAREWXAPJE-GYFISPQKSA-N 1 0 328.412 2.951 20 5 EFBDRO Cn1ncc2c1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922525 1286330610 /nfs/dbraw/zinc/33/06/10/1286330610.db2.gz YIANSNYPFKLELN-MRXNPFEDSA-N 1 0 326.400 2.634 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172912745 1286352856 /nfs/dbraw/zinc/35/28/56/1286352856.db2.gz OZAKSJJNMQUYHY-MRXNPFEDSA-N 1 0 325.368 2.710 20 5 EFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912260 1286352956 /nfs/dbraw/zinc/35/29/56/1286352956.db2.gz KFQTWFLOGSNSNT-CRAIPNDOSA-N 1 0 332.400 2.727 20 5 EFBDRO CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912208 1286353026 /nfs/dbraw/zinc/35/30/26/1286353026.db2.gz JSBKDPPAFXYIRP-MJGOQNOKSA-N 1 0 345.443 2.785 20 5 EFBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912808 1286353041 /nfs/dbraw/zinc/35/30/41/1286353041.db2.gz QEPNTCCVVOECCL-OAGGEKHMSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1nc(C3CC3)no1)CC2 ZINC001172912950 1286353495 /nfs/dbraw/zinc/35/34/95/1286353495.db2.gz RZMDNHFDVORYAJ-CQSZACIVSA-N 1 0 328.372 2.892 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCOCC2)c1F ZINC001173174738 1286451204 /nfs/dbraw/zinc/45/12/04/1286451204.db2.gz BAXGBUFDZDITIF-NSHDSACASA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1F ZINC001173175527 1286451350 /nfs/dbraw/zinc/45/13/50/1286451350.db2.gz OXGOKKRGSFOAMQ-MFKMUULPSA-N 1 0 338.335 2.590 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ccn1 ZINC001173177419 1286452492 /nfs/dbraw/zinc/45/24/92/1286452492.db2.gz UPASWNNXYNDLJQ-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1F ZINC001173177452 1286452816 /nfs/dbraw/zinc/45/28/16/1286452816.db2.gz CGFCQVYOXMFEDR-LALPHHSUSA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc(C)c2CC[NH3+])c1F ZINC001173180086 1286454898 /nfs/dbraw/zinc/45/48/98/1286454898.db2.gz TUJIVYYLMOHZMW-JTQLQIEISA-N 1 0 336.367 2.552 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(C)cnc2CC[NH3+])c1F ZINC001173180419 1286454986 /nfs/dbraw/zinc/45/49/86/1286454986.db2.gz WEXFHKNYSKPMML-JTQLQIEISA-N 1 0 336.367 2.552 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)CN2CCCC2)c1F ZINC001173179368 1286455006 /nfs/dbraw/zinc/45/50/06/1286455006.db2.gz PDBFNIUNFMXANU-CHWSQXEVSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CO)CCCC2)c1F ZINC001173179772 1286455392 /nfs/dbraw/zinc/45/53/92/1286455392.db2.gz PPBHODLSQWWKPJ-LLVKDONJSA-N 1 0 326.368 2.568 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CCN(C)CC2)c1F ZINC001173184840 1286456296 /nfs/dbraw/zinc/45/62/96/1286456296.db2.gz PADPZSFYRONYPI-LBPRGKRZSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccnc(F)c2)c1F ZINC001173184553 1286456438 /nfs/dbraw/zinc/45/64/38/1286456438.db2.gz RJFWZZKZRMMPNS-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](OC)C2)c1F ZINC001173184536 1286456959 /nfs/dbraw/zinc/45/69/59/1286456959.db2.gz NTZHATLSVWMIBE-RYUDHWBXSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@]3(CCCO3)C2)c1F ZINC001173183458 1286457065 /nfs/dbraw/zinc/45/70/65/1286457065.db2.gz YIEQFVDEYIPEIV-YVEFUNNKSA-N 1 0 338.379 2.928 20 5 EFBDRO C=Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001134198947 1286457199 /nfs/dbraw/zinc/45/71/99/1286457199.db2.gz LTMCTVDDYPZHSA-UHFFFAOYSA-N 1 0 331.397 2.819 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2(C)COC2)c1F ZINC001173191022 1286457646 /nfs/dbraw/zinc/45/76/46/1286457646.db2.gz ZQMWFWCQNQQQGC-LLVKDONJSA-N 1 0 326.368 2.642 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])nc1 ZINC001173190849 1286457747 /nfs/dbraw/zinc/45/77/47/1286457747.db2.gz HYWWEWWQGGQYEZ-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H]([NH+](C)C)C2)c1F ZINC001173190103 1286458230 /nfs/dbraw/zinc/45/82/30/1286458230.db2.gz QIVHEJNQGXUXGV-CHWSQXEVSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cnc(C)nc2)c1F ZINC001173193140 1286458751 /nfs/dbraw/zinc/45/87/51/1286458751.db2.gz QPXDPKGEBHLHIA-LLVKDONJSA-N 1 0 348.378 2.904 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC001173216611 1286471419 /nfs/dbraw/zinc/47/14/19/1286471419.db2.gz DNQNZSJKFSCRAP-YOEHRIQHSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001173220391 1286473747 /nfs/dbraw/zinc/47/37/47/1286473747.db2.gz ZTNJIAACRDPCAZ-LXIYXOSZSA-N 1 0 330.384 2.943 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1cccc(F)c1 ZINC001173220006 1286474389 /nfs/dbraw/zinc/47/43/89/1286474389.db2.gz RHDYZRGAIUCHLU-DYVFJYSZSA-N 1 0 332.375 2.858 20 5 EFBDRO CC(C)Oc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173225608 1286480687 /nfs/dbraw/zinc/48/06/87/1286480687.db2.gz STMWAFATPVJYNB-CYBMUJFWSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nccs2)CC1 ZINC001173229282 1286482053 /nfs/dbraw/zinc/48/20/53/1286482053.db2.gz SFOVHVGBQKNYEU-ZDUSSCGKSA-N 1 0 332.429 2.805 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001173226932 1286482390 /nfs/dbraw/zinc/48/23/90/1286482390.db2.gz MUHUJEFWBKVROO-KBXCAEBGSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001173232329 1286483123 /nfs/dbraw/zinc/48/31/23/1286483123.db2.gz FEVMPKQFQFXMDJ-DOMZBBRYSA-N 1 0 325.359 2.551 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC001173232618 1286483333 /nfs/dbraw/zinc/48/33/33/1286483333.db2.gz FBZZGJUQHMNKIK-LIRRHRJNSA-N 1 0 342.395 2.786 20 5 EFBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230220 1286483343 /nfs/dbraw/zinc/48/33/43/1286483343.db2.gz CYBGQYVOAQQHOU-KDOFPFPSSA-N 1 0 333.432 2.857 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1cnccn1)C1CC[NH2+]CC1 ZINC001173229926 1286483432 /nfs/dbraw/zinc/48/34/32/1286483432.db2.gz BWDOGGUKVLNADZ-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC001173230110 1286483619 /nfs/dbraw/zinc/48/36/19/1286483619.db2.gz ZCVJLEBHLGFWFQ-DNVCBOLYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1cccnc1 ZINC001173233558 1286483934 /nfs/dbraw/zinc/48/39/34/1286483934.db2.gz XJEBDTYQHTUFCT-KBXCAEBGSA-N 1 0 327.384 2.994 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001173234784 1286483965 /nfs/dbraw/zinc/48/39/65/1286483965.db2.gz QBEQQBBAHHDCCT-CRAIPNDOSA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC001173233675 1286484154 /nfs/dbraw/zinc/48/41/54/1286484154.db2.gz LTVRIZWFRNLWCG-WMLDXEAASA-N 1 0 341.415 2.574 20 5 EFBDRO CCN1CCC2(CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC001173233850 1286484642 /nfs/dbraw/zinc/48/46/42/1286484642.db2.gz ZVELSQAUEQZBGA-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232891 1286484752 /nfs/dbraw/zinc/48/47/52/1286484752.db2.gz JAEVBWVGDNZLOL-FAYQHZLMSA-N 1 0 332.400 2.799 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001173212629 1286486880 /nfs/dbraw/zinc/48/68/80/1286486880.db2.gz BRRAEGBOVWPYNM-XJKSGUPXSA-N 1 0 328.368 2.955 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001173212885 1286487015 /nfs/dbraw/zinc/48/70/15/1286487015.db2.gz CFYONBLVDWCDOT-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001173238320 1286495665 /nfs/dbraw/zinc/49/56/65/1286495665.db2.gz PHWBACCWTURABT-MLGOLLRUSA-N 1 0 346.362 2.608 20 5 EFBDRO Cc1cnc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173238584 1286495716 /nfs/dbraw/zinc/49/57/16/1286495716.db2.gz VVGLUOOQBSEUDY-PBHICJAKSA-N 1 0 342.399 2.778 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC001134334653 1286582580 /nfs/dbraw/zinc/58/25/80/1286582580.db2.gz SEMMJNDZGLNYEY-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095233898 1286722223 /nfs/dbraw/zinc/72/22/23/1286722223.db2.gz YFOGJYULGGXMCS-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095241556 1286732119 /nfs/dbraw/zinc/73/21/19/1286732119.db2.gz KAQCMABOJXXECE-UHFFFAOYSA-N 1 0 348.447 2.728 20 5 EFBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134491563 1286809913 /nfs/dbraw/zinc/80/99/13/1286809913.db2.gz WRGHGRIWHFDDAP-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnn(C)c1 ZINC001174331580 1286979769 /nfs/dbraw/zinc/97/97/69/1286979769.db2.gz LRRILNHKLNVICN-UHFFFAOYSA-N 1 0 333.395 2.978 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cs1 ZINC001134789323 1287190751 /nfs/dbraw/zinc/19/07/51/1287190751.db2.gz YBKXVVHKDZUNRJ-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871675074 1287202294 /nfs/dbraw/zinc/20/22/94/1287202294.db2.gz BQSWCBRHLCMGSA-BBRMVZONSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822861706 1289141409 /nfs/dbraw/zinc/14/14/09/1289141409.db2.gz DUPWZNJZJOGELK-RBSFLKMASA-N 1 0 325.453 2.686 20 5 EFBDRO C[NH+](C)CCOc1cc(NCOc2ccccc2)ccc1[N+](=O)[O-] ZINC001170809003 1287958310 /nfs/dbraw/zinc/95/83/10/1287958310.db2.gz DYMZJHDDIFTUSQ-UHFFFAOYSA-N 1 0 331.372 2.984 20 5 EFBDRO CC(C)c1nc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001135368411 1287977981 /nfs/dbraw/zinc/97/79/81/1287977981.db2.gz BRDCKJQPXATCIW-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001176817367 1288135180 /nfs/dbraw/zinc/13/51/80/1288135180.db2.gz FAUPOGOKXMJTBP-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000816653217 1288229839 /nfs/dbraw/zinc/22/98/39/1288229839.db2.gz KHAHJSIELQBCOX-PHIMTYICSA-N 1 0 342.237 2.882 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000816660720 1288234834 /nfs/dbraw/zinc/23/48/34/1288234834.db2.gz NANKUVJQPQBCSF-LBPRGKRZSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000816667567 1288236292 /nfs/dbraw/zinc/23/62/92/1288236292.db2.gz PXVRRKWSJVOCIU-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817297578 1288526550 /nfs/dbraw/zinc/52/65/50/1288526550.db2.gz WVAXTBUDLKQYRD-NSHDSACASA-N 1 0 326.784 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000817496784 1288636891 /nfs/dbraw/zinc/63/68/91/1288636891.db2.gz VOUILPCTINULMC-NSHDSACASA-N 1 0 325.796 2.723 20 5 EFBDRO O=C(NCCCCCC[NH2+]CCC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458396 1288791805 /nfs/dbraw/zinc/79/18/05/1288791805.db2.gz FLCALLSEYRMEDY-IAGOWNOFSA-N 1 0 339.480 2.888 20 5 EFBDRO O=C(NCCCCCC[NH2+]CCCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458651 1288792139 /nfs/dbraw/zinc/79/21/39/1288792139.db2.gz QBYVZDWYZHFRRD-IAGOWNOFSA-N 1 0 339.480 2.888 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821891721 1288824055 /nfs/dbraw/zinc/82/40/55/1288824055.db2.gz NDVZAVQOLLNANI-ROUUACIJSA-N 1 0 343.427 2.831 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822150809 1288893694 /nfs/dbraw/zinc/89/36/94/1288893694.db2.gz JBKYXONFORJFSC-GVDBMIGSSA-N 1 0 331.416 2.639 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822155701 1288894527 /nfs/dbraw/zinc/89/45/27/1288894527.db2.gz KSCUGJZSPVJQAS-ZDUSSCGKSA-N 1 0 337.395 2.976 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000822161539 1288895492 /nfs/dbraw/zinc/89/54/92/1288895492.db2.gz ZUVPTDBTHLGPJR-ZDUSSCGKSA-N 1 0 337.445 2.871 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000822161538 1288895724 /nfs/dbraw/zinc/89/57/24/1288895724.db2.gz ZUVPTDBTHLGPJR-CYBMUJFWSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000822458205 1288996797 /nfs/dbraw/zinc/99/67/97/1288996797.db2.gz GIWLFQLCHNHIAQ-HNNXBMFYSA-N 1 0 331.416 2.958 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[N+](=O)[O-] ZINC000823218201 1289246698 /nfs/dbraw/zinc/24/66/98/1289246698.db2.gz ZZUDDZSINXHTOV-MRXNPFEDSA-N 1 0 339.480 2.983 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[N+](=O)[O-] ZINC000823218200 1289246968 /nfs/dbraw/zinc/24/69/68/1289246968.db2.gz ZZUDDZSINXHTOV-INIZCTEOSA-N 1 0 339.480 2.983 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000823257955 1289251083 /nfs/dbraw/zinc/25/10/83/1289251083.db2.gz HVOHNEMJDAAYEM-GOSISDBHSA-N 1 0 331.416 2.770 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CC[N@H+](C)C1 ZINC000823499938 1289323279 /nfs/dbraw/zinc/32/32/79/1289323279.db2.gz PZFKBYYFLZNLRA-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823585759 1289366986 /nfs/dbraw/zinc/36/69/86/1289366986.db2.gz QWGDWSJHUWRPSS-SFHVURJKSA-N 1 0 330.384 2.943 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823590236 1289369778 /nfs/dbraw/zinc/36/97/78/1289369778.db2.gz ASMFXPHXJQCNBL-GOSISDBHSA-N 1 0 330.384 2.813 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823605665 1289381133 /nfs/dbraw/zinc/38/11/33/1289381133.db2.gz NDBJVAZALFIGJW-GOSISDBHSA-N 1 0 330.384 2.943 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000823660089 1289403059 /nfs/dbraw/zinc/40/30/59/1289403059.db2.gz DZRQCCTZKPTDMB-ROUUACIJSA-N 1 0 346.427 2.909 20 5 EFBDRO CCc1ccoc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165967304 1312712568 /nfs/dbraw/zinc/71/25/68/1312712568.db2.gz XUTTXRMGKCZTAK-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003356 1289498508 /nfs/dbraw/zinc/49/85/08/1289498508.db2.gz YMBVOLCJKKJALD-UHFFFAOYSA-N 1 0 335.408 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000873016344 1289520615 /nfs/dbraw/zinc/52/06/15/1289520615.db2.gz KMWPRGDHLOBCHA-UHFFFAOYSA-N 1 0 341.411 2.960 20 5 EFBDRO Cc1c(C[NH2+]CCCNC(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873049020 1289539206 /nfs/dbraw/zinc/53/92/06/1289539206.db2.gz VUVDJPYCODHQKH-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000873046801 1289539290 /nfs/dbraw/zinc/53/92/90/1289539290.db2.gz RNRRICUQMJJKOT-UHFFFAOYSA-N 1 0 327.384 2.643 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000873049760 1289540698 /nfs/dbraw/zinc/54/06/98/1289540698.db2.gz LMCWDQULTYSUSY-UHFFFAOYSA-N 1 0 333.432 2.950 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000873049684 1289540805 /nfs/dbraw/zinc/54/08/05/1289540805.db2.gz DOBHMXCPNXINGB-GJZGRUSLSA-N 1 0 333.432 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000873058905 1289543793 /nfs/dbraw/zinc/54/37/93/1289543793.db2.gz LBHRCCDPUIQGQU-ZIAGYGMSSA-N 1 0 340.445 2.657 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873125231 1289581257 /nfs/dbraw/zinc/58/12/57/1289581257.db2.gz LCKJYMWABGASQO-MRXNPFEDSA-N 1 0 346.431 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000873138382 1289592747 /nfs/dbraw/zinc/59/27/47/1289592747.db2.gz GVKRCPLJVXYAOK-INIZCTEOSA-N 1 0 333.432 2.555 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000873138556 1289593561 /nfs/dbraw/zinc/59/35/61/1289593561.db2.gz JCDMTCQXQYPGJO-GOSISDBHSA-N 1 0 336.432 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000873150224 1289602960 /nfs/dbraw/zinc/60/29/60/1289602960.db2.gz IDJZUFSXKTVQNP-CYBMUJFWSA-N 1 0 343.309 2.696 20 5 EFBDRO Cc1c(C[NH2+]CCn2ccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000873157567 1289607216 /nfs/dbraw/zinc/60/72/16/1289607216.db2.gz BUYLWQOSEAAVEM-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO CC[C@H]1COCCN1CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000873189644 1289629397 /nfs/dbraw/zinc/62/93/97/1289629397.db2.gz SKDOQIQGDNANHS-HKBKRHGFSA-N 1 0 333.432 2.699 20 5 EFBDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000873195546 1289633520 /nfs/dbraw/zinc/63/35/20/1289633520.db2.gz NSKYTZOTCUHSCA-KZULUSFZSA-N 1 0 346.383 2.824 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209233946 1289646298 /nfs/dbraw/zinc/64/62/98/1289646298.db2.gz CUZFOAULMKLQTC-YVMONPNESA-N 1 0 331.416 2.846 20 5 EFBDRO Nc1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000873288333 1289703792 /nfs/dbraw/zinc/70/37/92/1289703792.db2.gz BVTNMGJPBIAONV-CABCVRRESA-N 1 0 333.367 2.786 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873296455 1289710468 /nfs/dbraw/zinc/71/04/68/1289710468.db2.gz GBJUWNLYVHFYSF-BLLLJJGKSA-N 1 0 326.400 2.542 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000825693077 1290038886 /nfs/dbraw/zinc/03/88/86/1290038886.db2.gz RVODYMZXDSEIAH-UHFFFAOYSA-N 1 0 349.431 2.667 20 5 EFBDRO O=C(CCCF)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001166631664 1312807844 /nfs/dbraw/zinc/80/78/44/1312807844.db2.gz XAUVRRRFXKGTIA-UHFFFAOYSA-N 1 0 343.424 2.782 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000126098754 1290977133 /nfs/dbraw/zinc/97/71/33/1290977133.db2.gz LVQFSJFNSUBCQU-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876826077 1291036656 /nfs/dbraw/zinc/03/66/56/1291036656.db2.gz FCBJGLPQPFUOMS-UHFFFAOYSA-N 1 0 325.368 2.745 20 5 EFBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877087783 1291131470 /nfs/dbraw/zinc/13/14/70/1291131470.db2.gz RRAVJUKTSLBHMN-CMPLNLGQSA-N 1 0 325.796 2.785 20 5 EFBDRO CN(CCCCCC[NH3+])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000877441885 1291235107 /nfs/dbraw/zinc/23/51/07/1291235107.db2.gz QTRFAXAEPWMLPF-UHFFFAOYSA-N 1 0 348.447 2.786 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000877500843 1291251461 /nfs/dbraw/zinc/25/14/61/1291251461.db2.gz DWIDKEOTUFGYGS-KRWDZBQOSA-N 1 0 347.459 2.756 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000877517030 1291255939 /nfs/dbraw/zinc/25/59/39/1291255939.db2.gz KVUDAVLBBZRPGB-GDBMZVCRSA-N 1 0 333.432 2.507 20 5 EFBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000877832259 1291400360 /nfs/dbraw/zinc/40/03/60/1291400360.db2.gz IOHOBZFBDIASLF-TWKYDXJASA-N 1 0 344.411 2.771 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)c1 ZINC000795864517 1291549327 /nfs/dbraw/zinc/54/93/27/1291549327.db2.gz FSRWXPXBNDQUMS-LJQANCHMSA-N 1 0 341.411 2.841 20 5 EFBDRO Cn1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc([N+](=O)[O-])c1=O ZINC001166902490 1312863840 /nfs/dbraw/zinc/86/38/40/1312863840.db2.gz YHQKUXGWCZUPIW-KRWDZBQOSA-N 1 0 342.399 2.543 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878239709 1291574377 /nfs/dbraw/zinc/57/43/77/1291574377.db2.gz KIBDDPGXDVFWFQ-CYBMUJFWSA-N 1 0 345.403 2.607 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878400403 1291663338 /nfs/dbraw/zinc/66/33/38/1291663338.db2.gz AWHITHKHNGEYIZ-LBPRGKRZSA-N 1 0 332.360 2.646 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1F ZINC000878870353 1291836237 /nfs/dbraw/zinc/83/62/37/1291836237.db2.gz ZHFAGRILLLOMKS-HOTGVXAUSA-N 1 0 338.379 2.534 20 5 EFBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCN(C(C)=O)CC1 ZINC000957653994 1291975634 /nfs/dbraw/zinc/97/56/34/1291975634.db2.gz FPMIINCPLSLJCS-UHFFFAOYSA-N 1 0 325.434 2.737 20 5 EFBDRO C[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000796114437 1291984612 /nfs/dbraw/zinc/98/46/12/1291984612.db2.gz RSKIYBUZVFCPHO-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO COc1ccc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2)cc1 ZINC000879521484 1292170360 /nfs/dbraw/zinc/17/03/60/1292170360.db2.gz NXBKTHYEDBGAEY-LJQANCHMSA-N 1 0 341.411 2.792 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000775387321 1292176827 /nfs/dbraw/zinc/17/68/27/1292176827.db2.gz XBDOLBYPXHOYJV-KBXIAJHMSA-N 1 0 340.470 2.597 20 5 EFBDRO COCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000879707856 1292237410 /nfs/dbraw/zinc/23/74/10/1292237410.db2.gz HIOFRWCJRIHTFE-UHFFFAOYSA-N 1 0 328.796 2.876 20 5 EFBDRO CC(C)CC(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879759514 1292258128 /nfs/dbraw/zinc/25/81/28/1292258128.db2.gz PKDMJSYPCQCISG-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000880461585 1292506196 /nfs/dbraw/zinc/50/61/96/1292506196.db2.gz JBZTUGDBCNXWIW-MSOLQXFVSA-N 1 0 330.384 2.684 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001233489094 1312941728 /nfs/dbraw/zinc/94/17/28/1312941728.db2.gz HMNKZVHXKRLSPP-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000881810112 1293014210 /nfs/dbraw/zinc/01/42/10/1293014210.db2.gz ABYZHVQFCPXQIV-IRXDYDNUSA-N 1 0 344.415 2.526 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233770020 1312988374 /nfs/dbraw/zinc/98/83/74/1312988374.db2.gz KBLWIOTVGHCEDZ-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726203 1293298245 /nfs/dbraw/zinc/29/82/45/1293298245.db2.gz MWDUNZDPHKJEDM-CQSZACIVSA-N 1 0 339.823 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726202 1293298334 /nfs/dbraw/zinc/29/83/34/1293298334.db2.gz MWDUNZDPHKJEDM-AWEZNQCLSA-N 1 0 339.823 2.986 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000882810391 1293332095 /nfs/dbraw/zinc/33/20/95/1293332095.db2.gz JECWDCUBLJTYAQ-CYBMUJFWSA-N 1 0 328.372 2.579 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000130636723 1293412338 /nfs/dbraw/zinc/41/23/38/1293412338.db2.gz BGGSSKSJMYBLMG-ZWNOBZJWSA-N 1 0 336.344 2.504 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131008984 1293467640 /nfs/dbraw/zinc/46/76/40/1293467640.db2.gz UCDCQFRTUGRRRD-CQSZACIVSA-N 1 0 333.417 2.638 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC001233906364 1313016107 /nfs/dbraw/zinc/01/61/07/1313016107.db2.gz VPPSKVVFORJUDS-SNVBAGLBSA-N 1 0 335.340 2.525 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233947143 1313023598 /nfs/dbraw/zinc/02/35/98/1313023598.db2.gz LDBUUYCJLINDJP-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO O=C(CCOc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCCCC1 ZINC000800134958 1293927906 /nfs/dbraw/zinc/92/79/06/1293927906.db2.gz KFIRWTJEDBXZSR-UHFFFAOYSA-N 1 0 336.388 2.783 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCC[NH+]1CCCCC1 ZINC000800154252 1293933744 /nfs/dbraw/zinc/93/37/44/1293933744.db2.gz NCVNEVJNFUTERE-UHFFFAOYSA-N 1 0 345.399 2.969 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000884061370 1293952147 /nfs/dbraw/zinc/95/21/47/1293952147.db2.gz GEIMRYWNFQSJRP-ZDUSSCGKSA-N 1 0 336.461 2.982 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884537302 1294171813 /nfs/dbraw/zinc/17/18/13/1294171813.db2.gz WQEVZMFGYBPBMK-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196445 1294225600 /nfs/dbraw/zinc/22/56/00/1294225600.db2.gz PSXXJDSGUXAVSI-ONGXEEELSA-N 1 0 328.210 2.526 20 5 EFBDRO CC(C)SCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234146768 1313068380 /nfs/dbraw/zinc/06/83/80/1313068380.db2.gz PJFGFCASJDDGDC-UHFFFAOYSA-N 1 0 339.461 2.675 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000885943203 1294577577 /nfs/dbraw/zinc/57/75/77/1294577577.db2.gz ZISPKHPWPZKNNA-UHFFFAOYSA-N 1 0 326.400 2.698 20 5 EFBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000886234214 1294777358 /nfs/dbraw/zinc/77/73/58/1294777358.db2.gz JFGPKVRMWYJBDG-INIZCTEOSA-N 1 0 340.427 2.944 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234363426 1313114196 /nfs/dbraw/zinc/11/41/96/1313114196.db2.gz IDEXDBWWKZGQIU-MRXNPFEDSA-N 1 0 349.431 2.683 20 5 EFBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000886422555 1294955458 /nfs/dbraw/zinc/95/54/58/1294955458.db2.gz RSNAUPQHNNONRK-KRWDZBQOSA-N 1 0 329.400 2.613 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000886596031 1295042079 /nfs/dbraw/zinc/04/20/79/1295042079.db2.gz VFNVQZRGSQWCQA-ZDUSSCGKSA-N 1 0 344.415 2.878 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000886600091 1295046394 /nfs/dbraw/zinc/04/63/94/1295046394.db2.gz MNYZOJNKGBWNLC-FGTMMUONSA-N 1 0 345.443 2.887 20 5 EFBDRO CCSCCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234441844 1313129133 /nfs/dbraw/zinc/12/91/33/1313129133.db2.gz MBEATRPUERLHRH-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO COc1cc2c(cc1O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000887105001 1295280658 /nfs/dbraw/zinc/28/06/58/1295280658.db2.gz CFVQNZRWCWYRQQ-UHFFFAOYSA-N 1 0 328.368 2.910 20 5 EFBDRO C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252702638 1295311737 /nfs/dbraw/zinc/31/17/37/1295311737.db2.gz IEQXWDYNTMOGRW-YGRLFVJLSA-N 1 0 342.237 2.917 20 5 EFBDRO C/C(=C\C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001234541063 1313151154 /nfs/dbraw/zinc/15/11/54/1313151154.db2.gz WYJLXXNRFZMWAS-WYMLVPIESA-N 1 0 331.416 2.889 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000826585380 1295564190 /nfs/dbraw/zinc/56/41/90/1295564190.db2.gz LYXQEFHDIHVSNN-CQSZACIVSA-N 1 0 341.839 2.894 20 5 EFBDRO CS[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000776001271 1295648128 /nfs/dbraw/zinc/64/81/28/1295648128.db2.gz NZLUFGPOVYEVCX-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903768222 1313180832 /nfs/dbraw/zinc/18/08/32/1313180832.db2.gz MCQFGHQHPYMSLC-VHSXEESVSA-N 1 0 328.210 2.669 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000889621142 1295784428 /nfs/dbraw/zinc/78/44/28/1295784428.db2.gz ACKFASMHSMLTJO-LSDHHAIUSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889832642 1295842971 /nfs/dbraw/zinc/84/29/71/1295842971.db2.gz OJKQEJYXFMWLLB-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890064986 1295890800 /nfs/dbraw/zinc/89/08/00/1295890800.db2.gz VHMYXCXKXHDVED-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903780104 1313200059 /nfs/dbraw/zinc/20/00/59/1313200059.db2.gz DEFOMOYPNKPHHM-TZMCWYRMSA-N 1 0 340.221 2.684 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877270 1313201895 /nfs/dbraw/zinc/20/18/95/1313201895.db2.gz MYPVRAZONXFNID-SECBINFHSA-N 1 0 331.166 2.536 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001234879976 1313202354 /nfs/dbraw/zinc/20/23/54/1313202354.db2.gz UXILONDKYNZCBN-CQSZACIVSA-N 1 0 329.356 2.652 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000925312135 1296828016 /nfs/dbraw/zinc/82/80/16/1296828016.db2.gz XDXWFCZBUFUYHR-UHFFFAOYSA-N 1 0 335.404 2.988 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CCF)CC1 ZINC001201774996 1297070395 /nfs/dbraw/zinc/07/03/95/1297070395.db2.gz HUGLDPGQYNNXBM-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+]C2(CO)CCCC2)c1 ZINC000930045783 1297224841 /nfs/dbraw/zinc/22/48/41/1297224841.db2.gz XJDMVGZRFUKYDX-UHFFFAOYSA-N 1 0 329.194 2.752 20 5 EFBDRO [NH3+][C@H]1COCC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205806784 1313359507 /nfs/dbraw/zinc/35/95/07/1313359507.db2.gz SWFQIEYJNZRXPW-KGLIPLIRSA-N 1 0 347.378 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@H](O)CC2)c1 ZINC000930590936 1297275345 /nfs/dbraw/zinc/27/53/45/1297275345.db2.gz VNNJETNACDFZLX-GFCCVEGCSA-N 1 0 329.194 2.704 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930630722 1297278860 /nfs/dbraw/zinc/27/88/60/1297278860.db2.gz GZRXVAMZSSZZOR-NWDGAFQWSA-N 1 0 329.194 2.606 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776270219 1297324191 /nfs/dbraw/zinc/32/41/91/1297324191.db2.gz AXTVZXMQMAGFGX-QZTJIDSGSA-N 1 0 347.390 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000776271138 1297331291 /nfs/dbraw/zinc/33/12/91/1297331291.db2.gz ICEMZNZNLJQHRA-SJORKVTESA-N 1 0 345.399 2.648 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000776271134 1297331696 /nfs/dbraw/zinc/33/16/96/1297331696.db2.gz ICEMZNZNLJQHRA-IAGOWNOFSA-N 1 0 345.399 2.648 20 5 EFBDRO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776275036 1297336385 /nfs/dbraw/zinc/33/63/85/1297336385.db2.gz IVGSIZMXOFGZFB-IBGZPJMESA-N 1 0 341.411 2.759 20 5 EFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000776279825 1297356840 /nfs/dbraw/zinc/35/68/40/1297356840.db2.gz ZCPZQGZKWHETEO-RTBURBONSA-N 1 0 349.475 2.974 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC001206000603 1313389405 /nfs/dbraw/zinc/38/94/05/1313389405.db2.gz QCBPZQPQJZZNKI-LJQANCHMSA-N 1 0 328.432 2.854 20 5 EFBDRO CC(C)C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000778274204 1297584181 /nfs/dbraw/zinc/58/41/81/1297584181.db2.gz ZPOUOAOOMHJYIV-CQSZACIVSA-N 1 0 343.374 2.779 20 5 EFBDRO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085290184 1298997784 /nfs/dbraw/zinc/99/77/84/1298997784.db2.gz VYTOGYDKMOPOJK-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000851833078 1299423463 /nfs/dbraw/zinc/42/34/63/1299423463.db2.gz FWSKCWRAIJUFCT-PBHICJAKSA-N 1 0 331.372 2.979 20 5 EFBDRO CCOC(=O)c1c(C)n[nH]c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095527 1299545138 /nfs/dbraw/zinc/54/51/38/1299545138.db2.gz AKKSCGGFMWDJDK-JTQLQIEISA-N 1 0 332.360 2.654 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(c2cc(F)ncn2)CC1 ZINC000852132760 1299561967 /nfs/dbraw/zinc/56/19/67/1299561967.db2.gz GMSVHPORJOTAFX-CYBMUJFWSA-N 1 0 345.378 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580334 1299626423 /nfs/dbraw/zinc/62/64/23/1299626423.db2.gz WYKADBPUNPQBIH-MSOLQXFVSA-N 1 0 346.358 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000776585992 1299650695 /nfs/dbraw/zinc/65/06/95/1299650695.db2.gz GMUOICBOLGMQMR-IXDOHACOSA-N 1 0 346.383 2.809 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852359897 1299676185 /nfs/dbraw/zinc/67/61/85/1299676185.db2.gz ZETVKRYKJSDCKG-JSGCOSHPSA-N 1 0 334.420 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000776605814 1299794469 /nfs/dbraw/zinc/79/44/69/1299794469.db2.gz OPIYATLBOOBAAK-QZTJIDSGSA-N 1 0 330.384 2.732 20 5 EFBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1=CCSC1 ZINC000852747661 1299858315 /nfs/dbraw/zinc/85/83/15/1299858315.db2.gz RRXFDUFVQORSCP-UHFFFAOYSA-N 1 0 341.820 2.792 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc3c(s1)CC[NH2+]C3)CC2 ZINC000852889881 1299928282 /nfs/dbraw/zinc/92/82/82/1299928282.db2.gz ULGRPOHZROEGMQ-UHFFFAOYSA-N 1 0 343.408 2.813 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000854303210 1300505812 /nfs/dbraw/zinc/50/58/12/1300505812.db2.gz UGKZJWZSBPZEEM-HNNXBMFYSA-N 1 0 345.374 2.637 20 5 EFBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245545491 1300642141 /nfs/dbraw/zinc/64/21/41/1300642141.db2.gz VNRDFHZVPSPLJU-DNVCBOLYSA-N 1 0 344.411 2.901 20 5 EFBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000245545492 1300642708 /nfs/dbraw/zinc/64/27/08/1300642708.db2.gz VNRDFHZVPSPLJU-HNAYVOBHSA-N 1 0 344.411 2.901 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000854649900 1300651705 /nfs/dbraw/zinc/65/17/05/1300651705.db2.gz IYBRRTMCXOGHPX-GWCFXTLKSA-N 1 0 325.796 2.721 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCC[N@@H+](C)C2CC2)c1F ZINC000854899416 1300728129 /nfs/dbraw/zinc/72/81/29/1300728129.db2.gz FYWZLCWCOAUUOG-UHFFFAOYSA-N 1 0 341.358 2.786 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855289021 1300891319 /nfs/dbraw/zinc/89/13/19/1300891319.db2.gz MSZFGUDTHXPXEL-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(F)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000963479160 1300929105 /nfs/dbraw/zinc/92/91/05/1300929105.db2.gz DDMQIBKOTWGELM-UHFFFAOYSA-N 1 0 349.406 2.860 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000776810942 1300943770 /nfs/dbraw/zinc/94/37/70/1300943770.db2.gz IYXRWDCHHVQBBI-HIFRSBDPSA-N 1 0 335.404 2.941 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[NH+](C)C ZINC000855413536 1300948510 /nfs/dbraw/zinc/94/85/10/1300948510.db2.gz MUYPXQFEBOKLRQ-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855904077 1301166320 /nfs/dbraw/zinc/16/63/20/1301166320.db2.gz XURHIZHULUEABX-GTBONMDNSA-N 1 0 331.416 2.845 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000862794250 1302462263 /nfs/dbraw/zinc/46/22/63/1302462263.db2.gz ZHTSYYQZWVBSPX-LBPRGKRZSA-N 1 0 341.358 2.535 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000862794249 1302462412 /nfs/dbraw/zinc/46/24/12/1302462412.db2.gz ZHTSYYQZWVBSPX-GFCCVEGCSA-N 1 0 341.358 2.535 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000748271400 1313845040 /nfs/dbraw/zinc/84/50/40/1313845040.db2.gz HHRRHOYXHHUOCH-CQSZACIVSA-N 1 0 339.823 2.939 20 5 EFBDRO CC[C@@H]1CC(=O)N(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000119366160 1302573961 /nfs/dbraw/zinc/57/39/61/1302573961.db2.gz ZLEXFCFEPUCPKT-CQSZACIVSA-N 1 0 347.415 2.654 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794606295 1302842788 /nfs/dbraw/zinc/84/27/88/1302842788.db2.gz PVTBYVUOQONGAL-CEXWTWQISA-N 1 0 344.411 2.976 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794606302 1302842831 /nfs/dbraw/zinc/84/28/31/1302842831.db2.gz PVTBYVUOQONGAL-QYZOEREBSA-N 1 0 344.411 2.976 20 5 EFBDRO C[C@@H](CN(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1nccs1 ZINC000794638286 1302881356 /nfs/dbraw/zinc/88/13/56/1302881356.db2.gz CEYZVRIFUZQVAT-JTQLQIEISA-N 1 0 348.384 2.652 20 5 EFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](CC1CC1)CC1CCC1 ZINC000794711131 1303035046 /nfs/dbraw/zinc/03/50/46/1303035046.db2.gz PTJWLPYCSZEEBG-UHFFFAOYSA-N 1 0 331.372 2.972 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000865434007 1303255470 /nfs/dbraw/zinc/25/54/70/1303255470.db2.gz SVAAUICTBPSAFI-UHFFFAOYSA-N 1 0 345.374 2.696 20 5 EFBDRO CCCC[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865447981 1303261761 /nfs/dbraw/zinc/26/17/61/1303261761.db2.gz VRZFWGOFVHZKOM-UHFFFAOYSA-N 1 0 325.384 2.903 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865462666 1303268697 /nfs/dbraw/zinc/26/86/97/1303268697.db2.gz OWWZFCVXOSIUEC-VXGBXAGGSA-N 1 0 325.384 2.759 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865540312 1303303150 /nfs/dbraw/zinc/30/31/50/1303303150.db2.gz KRVXCXYBQSPDMS-UHFFFAOYSA-N 1 0 343.374 2.815 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865794243 1303403490 /nfs/dbraw/zinc/40/34/90/1303403490.db2.gz OTEXMYDBZVCZMK-UHFFFAOYSA-N 1 0 325.384 2.515 20 5 EFBDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000865819947 1303417944 /nfs/dbraw/zinc/41/79/44/1303417944.db2.gz BQLMQFHDUQSCPD-ZDUSSCGKSA-N 1 0 332.331 2.836 20 5 EFBDRO CC(C)[NH+]1CCC(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000866085683 1303519386 /nfs/dbraw/zinc/51/93/86/1303519386.db2.gz BPMQOTJTUOBLQJ-UHFFFAOYSA-N 1 0 332.408 2.560 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000866227862 1303572360 /nfs/dbraw/zinc/57/23/60/1303572360.db2.gz HEYGFWVGZISLEW-LBPRGKRZSA-N 1 0 332.379 2.916 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000866272197 1303587679 /nfs/dbraw/zinc/58/76/79/1303587679.db2.gz KOOXJJUYRFTMCZ-LLVKDONJSA-N 1 0 326.368 2.986 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000866309886 1303598375 /nfs/dbraw/zinc/59/83/75/1303598375.db2.gz CPOVNHZCJBQNBQ-PVUWLOKVSA-N 1 0 338.379 2.593 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866350455 1303614566 /nfs/dbraw/zinc/61/45/66/1303614566.db2.gz BSEHVPSBSZKVDG-JSGCOSHPSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000866397979 1303623265 /nfs/dbraw/zinc/62/32/65/1303623265.db2.gz LDLGURWTHHFTNW-MEDUHNTESA-N 1 0 343.358 2.818 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H](O)C2CCCC2)n1 ZINC000866639115 1303725156 /nfs/dbraw/zinc/72/51/56/1303725156.db2.gz WMENBSNWSOFJMA-ARFHVFGLSA-N 1 0 336.436 2.806 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H](O)C2CCCC2)n1 ZINC000866639117 1303725789 /nfs/dbraw/zinc/72/57/89/1303725789.db2.gz WMENBSNWSOFJMA-OAGGEKHMSA-N 1 0 336.436 2.806 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121229932 1303790431 /nfs/dbraw/zinc/79/04/31/1303790431.db2.gz DLKSPTBXMDIKJO-HNNXBMFYSA-N 1 0 331.420 2.627 20 5 EFBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000867927565 1304023049 /nfs/dbraw/zinc/02/30/49/1304023049.db2.gz JGISXHZLDBRTEW-KPZWWZAWSA-N 1 0 345.374 2.828 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000867942184 1304030307 /nfs/dbraw/zinc/03/03/07/1304030307.db2.gz NNTPJRUJODMHFJ-VLZNNYHMSA-N 1 0 343.427 2.854 20 5 EFBDRO Cc1cccc(C)c1CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943645 1304031057 /nfs/dbraw/zinc/03/10/57/1304031057.db2.gz BKNVCNYRQAMKMV-LJQANCHMSA-N 1 0 341.411 2.744 20 5 EFBDRO Cc1cccc(C)c1CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943644 1304031532 /nfs/dbraw/zinc/03/15/32/1304031532.db2.gz BKNVCNYRQAMKMV-IBGZPJMESA-N 1 0 341.411 2.744 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947039 1304035330 /nfs/dbraw/zinc/03/53/30/1304035330.db2.gz NSXIQCDWYFHIOC-ACJLOTCBSA-N 1 0 327.384 2.955 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948589 1304036283 /nfs/dbraw/zinc/03/62/83/1304036283.db2.gz ZGPZEPSWAMPWLW-BHIYHBOVSA-N 1 0 339.395 2.615 20 5 EFBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948658 1304036302 /nfs/dbraw/zinc/03/63/02/1304036302.db2.gz AUBSYUCRWVRPAV-PXAZEXFGSA-N 1 0 347.440 2.825 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948590 1304037246 /nfs/dbraw/zinc/03/72/46/1304037246.db2.gz ZGPZEPSWAMPWLW-NZSAHSFTSA-N 1 0 339.395 2.615 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952625 1304038861 /nfs/dbraw/zinc/03/88/61/1304038861.db2.gz YPQKGRWAUURBGV-SOLBZPMBSA-N 1 0 343.358 2.580 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951818 1304039422 /nfs/dbraw/zinc/03/94/22/1304039422.db2.gz QXQONRKDQRAUPU-HKUYNNGSSA-N 1 0 339.395 2.881 20 5 EFBDRO C[C@H]1CN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000867957454 1304044268 /nfs/dbraw/zinc/04/42/68/1304044268.db2.gz NBFFBVMDQZRWFN-ORAYPTAESA-N 1 0 339.395 2.915 20 5 EFBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867957311 1304044687 /nfs/dbraw/zinc/04/46/87/1304044687.db2.gz IWWGJMOGIVDVIC-ACJLOTCBSA-N 1 0 327.384 2.689 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000867957455 1304045029 /nfs/dbraw/zinc/04/50/29/1304045029.db2.gz NBFFBVMDQZRWFN-YJYMSZOUSA-N 1 0 339.395 2.915 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867979567 1304056014 /nfs/dbraw/zinc/05/60/14/1304056014.db2.gz HCVZVWHRHKCEHB-JOQOYGCGSA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000867985466 1304059504 /nfs/dbraw/zinc/05/95/04/1304059504.db2.gz DVNYGZKGXZEPHK-NQLFFAADSA-N 1 0 337.395 2.802 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000868018276 1304079687 /nfs/dbraw/zinc/07/96/87/1304079687.db2.gz VXXLSEWRUIKAPJ-UHFFFAOYSA-N 1 0 349.406 2.611 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868276563 1304220069 /nfs/dbraw/zinc/22/00/69/1304220069.db2.gz SBCRAESUBMOEJH-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868423124 1304288024 /nfs/dbraw/zinc/28/80/24/1304288024.db2.gz ZVMNGFMWKLTVAB-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870954400 1305707602 /nfs/dbraw/zinc/70/76/02/1305707602.db2.gz ALKCRPKHDWLBQG-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000870957756 1305710012 /nfs/dbraw/zinc/71/00/12/1305710012.db2.gz VRKRGXNCJFIJDS-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870960345 1305711406 /nfs/dbraw/zinc/71/14/06/1305711406.db2.gz VFJBHSFBTAMCLN-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000870959465 1305711602 /nfs/dbraw/zinc/71/16/02/1305711602.db2.gz IAKUQQJGAHWQLT-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973368 1305719822 /nfs/dbraw/zinc/71/98/22/1305719822.db2.gz UAJWMHPMXBAQHH-CLLJXQQHSA-N 1 0 349.456 2.967 20 5 EFBDRO CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000870974102 1305720529 /nfs/dbraw/zinc/72/05/29/1305720529.db2.gz HKWRVWPDEFUIIV-YOWGUQMCSA-N 1 0 331.416 2.519 20 5 EFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000796530017 1305963858 /nfs/dbraw/zinc/96/38/58/1305963858.db2.gz DUOYWKAEROLAPB-MRXNPFEDSA-N 1 0 331.347 2.782 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000796540846 1306178218 /nfs/dbraw/zinc/17/82/18/1306178218.db2.gz XGWQGJCKPQVKRA-UHFFFAOYSA-N 1 0 327.331 2.963 20 5 EFBDRO CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796555447 1306355965 /nfs/dbraw/zinc/35/59/65/1306355965.db2.gz STHYBRNDUZZFRY-CQSZACIVSA-N 1 0 339.367 2.787 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC001218398105 1315189220 /nfs/dbraw/zinc/18/92/20/1315189220.db2.gz IBJMLVPKTBYTTF-VXNVDRBHSA-N 1 0 330.182 2.580 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001218448670 1315196938 /nfs/dbraw/zinc/19/69/38/1315196938.db2.gz OMYBISMXNHJRMU-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000800312725 1307691006 /nfs/dbraw/zinc/69/10/06/1307691006.db2.gz PDWSFFLCHKYGDK-ZHACJKMWSA-N 1 0 339.395 2.904 20 5 EFBDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000800312724 1307691284 /nfs/dbraw/zinc/69/12/84/1307691284.db2.gz PDWSFFLCHKYGDK-KHPPLWFESA-N 1 0 339.395 2.904 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900186182 1307754282 /nfs/dbraw/zinc/75/42/82/1307754282.db2.gz QXRKXSGZEYFRJF-UHFFFAOYSA-N 1 0 331.775 2.847 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900216231 1307784586 /nfs/dbraw/zinc/78/45/86/1307784586.db2.gz SRAQGACLPLWDIA-RYUDHWBXSA-N 1 0 341.770 2.744 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900522307 1308253933 /nfs/dbraw/zinc/25/39/33/1308253933.db2.gz AZLXSLOMEFIINC-VIFPVBQESA-N 1 0 331.775 2.847 20 5 EFBDRO CC(C)[NH+](Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1)C(C)C ZINC000900526180 1308260216 /nfs/dbraw/zinc/26/02/16/1308260216.db2.gz JKILNOXRTPBNKE-UHFFFAOYSA-N 1 0 335.383 2.993 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900540638 1308282437 /nfs/dbraw/zinc/28/24/37/1308282437.db2.gz QPAMOUYTXIYYLN-UHFFFAOYSA-N 1 0 343.786 2.944 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000900544534 1308287253 /nfs/dbraw/zinc/28/72/53/1308287253.db2.gz TWFBOKZIJCEISI-MRVPVSSYSA-N 1 0 329.759 2.600 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH+](C(C)C)C(C)C)nn1 ZINC000900562684 1308320180 /nfs/dbraw/zinc/32/01/80/1308320180.db2.gz WIPLJPQRWONXJX-UHFFFAOYSA-N 1 0 347.419 2.862 20 5 EFBDRO CC(C)[NH+](Cc1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C(C)C ZINC000900590126 1308366510 /nfs/dbraw/zinc/36/65/10/1308366510.db2.gz YOBDMKARZIUSIT-KRWDZBQOSA-N 1 0 347.419 2.539 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000800858272 1308559681 /nfs/dbraw/zinc/55/96/81/1308559681.db2.gz HHAGJIHVUFIMGU-AWEZNQCLSA-N 1 0 340.387 2.515 20 5 EFBDRO COc1ncc(Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001210137934 1314286752 /nfs/dbraw/zinc/28/67/52/1314286752.db2.gz KDJUWFSMKVOAHW-UHFFFAOYSA-N 1 0 332.360 2.682 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000900998270 1309145272 /nfs/dbraw/zinc/14/52/72/1309145272.db2.gz YKITZAWDPMBBCF-PSASIEDQSA-N 1 0 341.770 2.742 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901026723 1309225486 /nfs/dbraw/zinc/22/54/86/1309225486.db2.gz OULWIOJUCNTWIC-PELKAZGASA-N 1 0 341.770 2.600 20 5 EFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CCOC ZINC000801526478 1310466244 /nfs/dbraw/zinc/46/62/44/1310466244.db2.gz QXOOSUXEMRDHRT-OAHLLOKOSA-N 1 0 339.411 2.667 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000749268527 1311025368 /nfs/dbraw/zinc/02/53/68/1311025368.db2.gz LULLRULTCNLSHQ-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000749687424 1311037575 /nfs/dbraw/zinc/03/75/75/1311037575.db2.gz JQSOTFGHYSYLIY-QAPCUYQASA-N 1 0 342.399 2.606 20 5 EFBDRO CCOc1cc(COC(=O)C2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000801872310 1311039676 /nfs/dbraw/zinc/03/96/76/1311039676.db2.gz OPQXZNJVUAGXJN-UHFFFAOYSA-N 1 0 348.399 2.911 20 5 EFBDRO COCCC[NH+]1CCC(OCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001223107950 1311219646 /nfs/dbraw/zinc/21/96/46/1311219646.db2.gz PRDDHZFJJZCKIE-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001101643434 1311257467 /nfs/dbraw/zinc/25/74/67/1311257467.db2.gz IFHMSIOJXGCCQK-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001223450847 1311262515 /nfs/dbraw/zinc/26/25/15/1311262515.db2.gz SKFAJFXHTDTMGZ-AGGWBTHJSA-N 1 0 334.372 2.523 20 5 EFBDRO COC(=O)[C@@H](O[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223645674 1311285872 /nfs/dbraw/zinc/28/58/72/1311285872.db2.gz CIGBMXJLALISCL-CJNGLKHVSA-N 1 0 336.388 2.698 20 5 EFBDRO COc1cc(COC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC001223910975 1311320098 /nfs/dbraw/zinc/32/00/98/1311320098.db2.gz XLLDRSJDWDUSOL-UHFFFAOYSA-N 1 0 336.388 2.755 20 5 EFBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224104936 1311342323 /nfs/dbraw/zinc/34/23/23/1311342323.db2.gz UWPDQLLHTAEBCL-BXUZGUMPSA-N 1 0 345.257 2.511 20 5 EFBDRO Cc1ccc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001103455405 1311359196 /nfs/dbraw/zinc/35/91/96/1311359196.db2.gz AWNPJZHMYJOXAO-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782518266 1311367592 /nfs/dbraw/zinc/36/75/92/1311367592.db2.gz BRXFEIUGBKIWDI-DYVFJYSZSA-N 1 0 328.368 2.911 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2cccnc12 ZINC001158748805 1311379540 /nfs/dbraw/zinc/37/95/40/1311379540.db2.gz KCSGREOEXRHRAX-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])c3ccccc32)c2cccnc12 ZINC001158748606 1311379763 /nfs/dbraw/zinc/37/97/63/1311379763.db2.gz FUXWGZRDESNFTK-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224618419 1311414087 /nfs/dbraw/zinc/41/40/87/1311414087.db2.gz GRCVCNSLBWUVOW-GJZGRUSLSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCCC[N+](C)(C)C)[C@@H](F)CC1 ZINC001224619786 1311414229 /nfs/dbraw/zinc/41/42/29/1311414229.db2.gz QPJMIUHUMCJVCE-LSDHHAIUSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@@H]2C1 ZINC001224617978 1311414264 /nfs/dbraw/zinc/41/42/64/1311414264.db2.gz ARNOOEHWCIXCLW-MUJYYYPQSA-N 1 0 327.489 2.745 20 5 EFBDRO C[N+](C)(C)CCCOC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001224621588 1311414535 /nfs/dbraw/zinc/41/45/35/1311414535.db2.gz YALWSAVEDUQJAC-UHFFFAOYSA-N 1 0 340.419 2.816 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@H]21 ZINC001224622500 1311414674 /nfs/dbraw/zinc/41/46/74/1311414674.db2.gz GYYMPCOTLSJRHI-OWCLPIDISA-N 1 0 327.489 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621032 1311414730 /nfs/dbraw/zinc/41/47/30/1311414730.db2.gz ITCVIKIYYNZQDD-HNNXBMFYSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](OCCC[N+](C)(C)C)C[C@@H]21 ZINC001224622494 1311414829 /nfs/dbraw/zinc/41/48/29/1311414829.db2.gz GYYMPCOTLSJRHI-OAGGEKHMSA-N 1 0 327.489 2.887 20 5 EFBDRO C[N+](C)(C)CCCOC1CCN(CC(=O)c2cccs2)CC1 ZINC001224623476 1311415370 /nfs/dbraw/zinc/41/53/70/1311415370.db2.gz NRHRMFJJRZIWKT-UHFFFAOYSA-N 1 0 325.498 2.508 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001158927356 1311417913 /nfs/dbraw/zinc/41/79/13/1311417913.db2.gz IPXAGBWTAFDPQP-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224750954 1311431396 /nfs/dbraw/zinc/43/13/96/1311431396.db2.gz UEZBBDPKAVXACG-AWEZNQCLSA-N 1 0 337.395 2.815 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(C[NH2+]C4)CC3)ccc21 ZINC001159043103 1311440337 /nfs/dbraw/zinc/44/03/37/1311440337.db2.gz SPBSIZQDKMRLTG-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO O=[N+]([O-])C[C@@H](OCCC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC001224859799 1311443425 /nfs/dbraw/zinc/44/34/25/1311443425.db2.gz LINRYDZWUCPAAI-QGZVFWFLSA-N 1 0 336.388 2.626 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159346781 1311500051 /nfs/dbraw/zinc/50/00/51/1311500051.db2.gz AMNOPTYUYZKQPY-KUCQQTCKSA-N 1 0 326.356 2.813 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159456267 1311519278 /nfs/dbraw/zinc/51/92/78/1311519278.db2.gz QUQLRSUNAYHPQK-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159456114 1311519372 /nfs/dbraw/zinc/51/93/72/1311519372.db2.gz OPBOKPBSAGOTAG-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1C[NH2+]CCO1 ZINC001159499515 1311528057 /nfs/dbraw/zinc/52/80/57/1311528057.db2.gz ANLMGNIVUKBSFX-XHDPSFHLSA-N 1 0 346.362 2.585 20 5 EFBDRO C[C@@H](Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159503766 1311528297 /nfs/dbraw/zinc/52/82/97/1311528297.db2.gz ZDTWDJNOZGBQNG-YMTOWFKASA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@H](Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159500999 1311528606 /nfs/dbraw/zinc/52/86/06/1311528606.db2.gz UWJFUATWANOLHL-ZANVPECISA-N 1 0 336.779 2.585 20 5 EFBDRO COc1cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001159545270 1311538220 /nfs/dbraw/zinc/53/82/20/1311538220.db2.gz HPHUPYMQNBQESY-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO [NH2+]=C(Cc1ccc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1)NO ZINC001225543231 1311540298 /nfs/dbraw/zinc/54/02/98/1311540298.db2.gz IPDKWVSCHDOPRV-INIZCTEOSA-N 1 0 327.340 2.640 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1[nH]ccc1C1CC1 ZINC001159615008 1311552863 /nfs/dbraw/zinc/55/28/63/1311552863.db2.gz WFOPWPOQXRSKCK-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225631900 1311556490 /nfs/dbraw/zinc/55/64/90/1311556490.db2.gz ILMVMSLGVSETQE-PBHICJAKSA-N 1 0 343.383 2.658 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1 ZINC001225804139 1311577558 /nfs/dbraw/zinc/57/75/58/1311577558.db2.gz NTDYRPCPDMABTN-OAHLLOKOSA-N 1 0 348.399 2.820 20 5 EFBDRO COC(=O)c1ccc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225859372 1311582827 /nfs/dbraw/zinc/58/28/27/1311582827.db2.gz NALYTLKKGUSWOZ-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO C[NH+]1C(C)(C)CC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1(C)C ZINC001226168189 1311623609 /nfs/dbraw/zinc/62/36/09/1311623609.db2.gz PMCWBYAVONDUOA-UHFFFAOYSA-N 1 0 335.404 2.724 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c(C)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001160010740 1311627812 /nfs/dbraw/zinc/62/78/12/1311627812.db2.gz KWDHLCTZBPQXDE-GFCCVEGCSA-N 1 0 340.383 2.679 20 5 EFBDRO Cc1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160011626 1311628444 /nfs/dbraw/zinc/62/84/44/1311628444.db2.gz HURAXENOURQQEU-UHFFFAOYSA-N 1 0 328.372 2.762 20 5 EFBDRO CCOC(=O)c1sc(O[C@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001226202539 1311628661 /nfs/dbraw/zinc/62/86/61/1311628661.db2.gz CNWBZSZMVRVMIV-MRVPVSSYSA-N 1 0 341.375 2.812 20 5 EFBDRO CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097401 1311643524 /nfs/dbraw/zinc/64/35/24/1311643524.db2.gz IDJIVLHFTNQJND-OSNZYPHYSA-N 1 0 335.448 2.536 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC001226295642 1311643748 /nfs/dbraw/zinc/64/37/48/1311643748.db2.gz ZYOBDIVEDJDPTD-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108034 1311645155 /nfs/dbraw/zinc/64/51/55/1311645155.db2.gz DBEQRNIFBWJSKU-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO C[C@H](CN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001226311723 1311646396 /nfs/dbraw/zinc/64/63/96/1311646396.db2.gz UUSPANZFZIMTHL-SNVBAGLBSA-N 1 0 334.294 2.713 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160116681 1311646689 /nfs/dbraw/zinc/64/66/89/1311646689.db2.gz ZHCBIQZFCJCGBV-UHFFFAOYSA-N 1 0 331.351 2.591 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1Br)C2 ZINC001226339737 1311651670 /nfs/dbraw/zinc/65/16/70/1311651670.db2.gz PIJLRKVWOIIQPI-JZYVYDRUSA-N 1 0 342.193 2.756 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)nc2c1 ZINC001160140164 1311653360 /nfs/dbraw/zinc/65/33/60/1311653360.db2.gz IBCQCRKHXADQNP-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO COCCC[NH+]1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226368590 1311656398 /nfs/dbraw/zinc/65/63/98/1311656398.db2.gz YVPGLZFNWBIRCZ-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001160201076 1311663783 /nfs/dbraw/zinc/66/37/83/1311663783.db2.gz UOIOAOILNKAMGH-JTQLQIEISA-N 1 0 334.763 2.809 20 5 EFBDRO COc1ncc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160234312 1311669628 /nfs/dbraw/zinc/66/96/28/1311669628.db2.gz VSSOWGQTJLMTQP-ZDUSSCGKSA-N 1 0 344.371 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(Nc2ccccc2CN2CC[NH2+]CC2)ccc1F ZINC001160296717 1311683524 /nfs/dbraw/zinc/68/35/24/1311683524.db2.gz FTCNRUQXFIIMSY-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO Cc1cc(Cl)nc(-n2nc(-c3ccncc3)cc2C[NH3+])c1[N+](=O)[O-] ZINC001160337587 1311692717 /nfs/dbraw/zinc/69/27/17/1311692717.db2.gz FWWWCWOTYSHWRO-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001160338951 1311693208 /nfs/dbraw/zinc/69/32/08/1311693208.db2.gz PMOXBPNQUITHDZ-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)nc1 ZINC001226733656 1311715129 /nfs/dbraw/zinc/71/51/29/1311715129.db2.gz RKYLOLZFDQHEHK-QLPKVWCKSA-N 1 0 340.383 2.674 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001226733309 1311715389 /nfs/dbraw/zinc/71/53/89/1311715389.db2.gz MGXUBHINRFWZPI-QLPKVWCKSA-N 1 0 340.383 2.959 20 5 EFBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001160469556 1311717309 /nfs/dbraw/zinc/71/73/09/1311717309.db2.gz WOQGCIUPRPPKSM-XYYAHUGASA-N 1 0 327.388 2.965 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226749564 1311717975 /nfs/dbraw/zinc/71/79/75/1311717975.db2.gz UDLHJLXVQTWPCR-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO C[NH+](C)C1CCC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001226803689 1311726107 /nfs/dbraw/zinc/72/61/07/1311726107.db2.gz DXVRCVQBWOWEQD-UHFFFAOYSA-N 1 0 334.351 2.929 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(CCc2ccccc2)c1 ZINC001226930544 1311742685 /nfs/dbraw/zinc/74/26/85/1311742685.db2.gz VFABXORVZZXSBR-LJQANCHMSA-N 1 0 342.459 2.834 20 5 EFBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160660370 1311753070 /nfs/dbraw/zinc/75/30/70/1311753070.db2.gz LEHQJPMINQDSJH-NSHDSACASA-N 1 0 335.795 2.640 20 5 EFBDRO CCOc1nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC001160664629 1311754932 /nfs/dbraw/zinc/75/49/32/1311754932.db2.gz FPUHIQAPLNSAKF-CQSZACIVSA-N 1 0 344.415 2.990 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001160734790 1311771226 /nfs/dbraw/zinc/77/12/26/1311771226.db2.gz KIMRIYAVZNHOTF-ZWKOTPCHSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001160734622 1311771267 /nfs/dbraw/zinc/77/12/67/1311771267.db2.gz DXMZDKDSEAYYSA-CTNGQTDRSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001160734788 1311771278 /nfs/dbraw/zinc/77/12/78/1311771278.db2.gz KIMRIYAVZNHOTF-QZTJIDSGSA-N 1 0 348.446 2.922 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3nc4ccc([N+](=O)[O-])cc4o3)O2)CC1 ZINC001227230635 1311780095 /nfs/dbraw/zinc/78/00/95/1311780095.db2.gz UECATBWNVRIUTQ-ZDUSSCGKSA-N 1 0 347.371 2.758 20 5 EFBDRO O=[N+]([O-])c1cccc2oc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)nc21 ZINC001227236140 1311781088 /nfs/dbraw/zinc/78/10/88/1311781088.db2.gz OWCZXIQWYJJYBM-BETUJISGSA-N 1 0 347.371 2.758 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])n3)n2)cc1 ZINC001213026814 1311787129 /nfs/dbraw/zinc/78/71/29/1311787129.db2.gz URFHYNOVDZJJJY-UHFFFAOYSA-N 1 0 325.328 2.768 20 5 EFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902485036 1311788215 /nfs/dbraw/zinc/78/82/15/1311788215.db2.gz YIBGPWRZQOLCTM-RDJZCZTQSA-N 1 0 343.431 2.540 20 5 EFBDRO O=C(CCCF)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001160896567 1311805043 /nfs/dbraw/zinc/80/50/43/1311805043.db2.gz UKOZCTNLGAANLY-UHFFFAOYSA-N 1 0 349.406 2.983 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001227465530 1311809988 /nfs/dbraw/zinc/80/99/88/1311809988.db2.gz FRWHZYIWNMCWRI-UHFFFAOYSA-N 1 0 344.327 2.946 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)c(F)c1 ZINC001227494725 1311812414 /nfs/dbraw/zinc/81/24/14/1311812414.db2.gz JLENSORBGHTHLM-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2cccnc21 ZINC001227699679 1311841652 /nfs/dbraw/zinc/84/16/52/1311841652.db2.gz YTVQAEJXFABYTD-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO C[NH+](C)CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)c1ccccc1 ZINC001227691146 1311840132 /nfs/dbraw/zinc/84/01/32/1311840132.db2.gz MVNZVHMBMVBZOC-CQSZACIVSA-N 1 0 341.371 2.938 20 5 EFBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001227700497 1311841543 /nfs/dbraw/zinc/84/15/43/1311841543.db2.gz VMQKQXMMLHAOEE-OKILXGFUSA-N 1 0 336.388 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(OC3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC001227747270 1311849932 /nfs/dbraw/zinc/84/99/32/1311849932.db2.gz ZJRQHIZXXVOPSV-UHFFFAOYSA-N 1 0 339.355 2.914 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902541610 1311853537 /nfs/dbraw/zinc/85/35/37/1311853537.db2.gz IGZJDVAHNJNKKB-INIZCTEOSA-N 1 0 331.420 2.564 20 5 EFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000902542582 1311854496 /nfs/dbraw/zinc/85/44/96/1311854496.db2.gz NUCSUOUJOJFSPP-MRXNPFEDSA-N 1 0 345.447 2.873 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902543328 1311855077 /nfs/dbraw/zinc/85/50/77/1311855077.db2.gz QRJNAFUAIRLHSJ-INIZCTEOSA-N 1 0 331.420 2.564 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cc(C(F)(F)F)c1 ZINC001227845298 1311864829 /nfs/dbraw/zinc/86/48/29/1311864829.db2.gz INBVLQIRFQPUFL-LLVKDONJSA-N 1 0 340.749 2.721 20 5 EFBDRO O=[N+]([O-])c1ccnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001161129349 1311865777 /nfs/dbraw/zinc/86/57/77/1311865777.db2.gz FBQJHCAWZJZYLT-UHFFFAOYSA-N 1 0 328.372 2.772 20 5 EFBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001161136660 1311867876 /nfs/dbraw/zinc/86/78/76/1311867876.db2.gz VSSVWFAXMQKVIM-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO N=c1ncc(C[NH3+])cn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001161415724 1311882530 /nfs/dbraw/zinc/88/25/30/1311882530.db2.gz KWHARCJKUCCPEP-UHFFFAOYSA-N 1 0 336.786 2.560 20 5 EFBDRO COCCC1(CNc2ccc3c(cccc3[N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001161503731 1311902026 /nfs/dbraw/zinc/90/20/26/1311902026.db2.gz RWDFEXNJXFOHAS-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO O=C(CCC(F)F)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228308115 1311929452 /nfs/dbraw/zinc/92/94/52/1311929452.db2.gz WNFOMZFFHYTLSU-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001161710417 1311957490 /nfs/dbraw/zinc/95/74/90/1311957490.db2.gz PMGSRXGDNZSVLW-UHFFFAOYSA-N 1 0 328.416 2.797 20 5 EFBDRO CN1CC[NH+](CCCNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])CC1 ZINC001161711219 1311957806 /nfs/dbraw/zinc/95/78/06/1311957806.db2.gz XUWZOEDWSRBTHL-VMPITWQZSA-N 1 0 338.839 2.637 20 5 EFBDRO CN1CC[NH+](CCCNc2cc3ccccc3c([N+](=O)[O-])c2)CC1 ZINC001161712095 1311957930 /nfs/dbraw/zinc/95/79/30/1311957930.db2.gz YTPWFQVULUKKOO-UHFFFAOYSA-N 1 0 328.416 2.797 20 5 EFBDRO Cc1nc(OC2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC001228621773 1311971420 /nfs/dbraw/zinc/97/14/20/1311971420.db2.gz UMNRZRDTKACWDC-UHFFFAOYSA-N 1 0 330.182 2.534 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228655073 1311976285 /nfs/dbraw/zinc/97/62/85/1311976285.db2.gz PGZVDJRBNJQXTP-CJNGLKHVSA-N 1 0 328.372 2.674 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001228655901 1311976452 /nfs/dbraw/zinc/97/64/52/1311976452.db2.gz XJXZZTJWNWRLQY-ZDUSSCGKSA-N 1 0 332.335 2.567 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001228661260 1311977426 /nfs/dbraw/zinc/97/74/26/1311977426.db2.gz WJOGGKMIWBXFLA-YQQAZPJKSA-N 1 0 340.383 2.674 20 5 EFBDRO Nc1cc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161822537 1311982063 /nfs/dbraw/zinc/98/20/63/1311982063.db2.gz USKMAYCETNWLQO-QGZVFWFLSA-N 1 0 345.378 2.864 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc(Br)cc1C[NH3+] ZINC001161853548 1311987561 /nfs/dbraw/zinc/98/75/61/1311987561.db2.gz MTVGWFBMEOKXMT-UHFFFAOYSA-N 1 0 338.165 2.537 20 5 EFBDRO Cc1nc(Cl)nc(N(CC[NH3+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001161877862 1311993282 /nfs/dbraw/zinc/99/32/82/1311993282.db2.gz UVFWRMNSPYYJAX-UHFFFAOYSA-N 1 0 325.731 2.583 20 5 EFBDRO O=C(C1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048641265 1311996109 /nfs/dbraw/zinc/99/61/09/1311996109.db2.gz XMWYEXMUMCMMRK-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803486 1312001980 /nfs/dbraw/zinc/00/19/80/1312001980.db2.gz BQUBLJKKNWBIHF-GFCCVEGCSA-N 1 0 332.356 2.953 20 5 EFBDRO COC(=O)Cc1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001228921325 1312020209 /nfs/dbraw/zinc/02/02/09/1312020209.db2.gz AOGVHWAXFRNOBF-LLVKDONJSA-N 1 0 345.257 2.638 20 5 EFBDRO [NH3+]C1(Cc2ccccc2F)CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001161986748 1312021978 /nfs/dbraw/zinc/02/19/78/1312021978.db2.gz CSKKKNRITXYJAS-UHFFFAOYSA-N 1 0 330.363 2.669 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001161995863 1312025324 /nfs/dbraw/zinc/02/53/24/1312025324.db2.gz VNNRRJHQFCMAHV-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001228967527 1312028436 /nfs/dbraw/zinc/02/84/36/1312028436.db2.gz RPUQJADWPFERPC-NSHDSACASA-N 1 0 342.779 2.896 20 5 EFBDRO COCCC1([NH3+])CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001162041855 1312037436 /nfs/dbraw/zinc/03/74/36/1312037436.db2.gz RATRKANGJZXATF-UHFFFAOYSA-N 1 0 349.218 2.631 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001229116117 1312050417 /nfs/dbraw/zinc/05/04/17/1312050417.db2.gz UAWMMTUYHMZTSM-LRUQOWEJSA-N 1 0 332.400 2.956 20 5 EFBDRO COC(=O)c1c(F)cc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229193927 1312059770 /nfs/dbraw/zinc/05/97/70/1312059770.db2.gz LDTFMHBJPDNISO-VIFPVBQESA-N 1 0 349.220 2.848 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162185873 1312063618 /nfs/dbraw/zinc/06/36/18/1312063618.db2.gz BSZPSXUBLDOWNX-SHTZXODSSA-N 1 0 333.436 2.960 20 5 EFBDRO Nc1cc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162187306 1312064228 /nfs/dbraw/zinc/06/42/28/1312064228.db2.gz LNCAGLAKFUZSCO-HDJSIYSDSA-N 1 0 333.436 2.839 20 5 EFBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc2ccc3cccnc3c2n1 ZINC001162213976 1312068946 /nfs/dbraw/zinc/06/89/46/1312068946.db2.gz ADDHNDSVDNSXEY-UHFFFAOYSA-N 1 0 326.363 2.976 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229359029 1312083643 /nfs/dbraw/zinc/08/36/43/1312083643.db2.gz ZPCSYIUGYSWNTK-UHFFFAOYSA-N 1 0 346.387 2.885 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@]3(CC4CC4)CCC[NH2+]3)cnc2c1 ZINC001162349968 1312092329 /nfs/dbraw/zinc/09/23/29/1312092329.db2.gz NQKFLHVWJZKTQL-QGZVFWFLSA-N 1 0 327.388 2.872 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162405642 1312099464 /nfs/dbraw/zinc/09/94/64/1312099464.db2.gz VVRFOXYHYFSVQY-RKDXNWHRSA-N 1 0 327.768 2.717 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(C)c([N+](=O)[O-])c(C)c3)C[C@H]1[N@@H+]2C ZINC001229469435 1312101627 /nfs/dbraw/zinc/10/16/27/1312101627.db2.gz HLSDTAAMRWCQCF-LLLHUVSDSA-N 1 0 348.399 2.757 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162461972 1312107682 /nfs/dbraw/zinc/10/76/82/1312107682.db2.gz SGCJMBWTHDPXPJ-GHMZBOCLSA-N 1 0 333.367 2.725 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162461979 1312107921 /nfs/dbraw/zinc/10/79/21/1312107921.db2.gz SGCJMBWTHDPXPJ-WDEREUQCSA-N 1 0 333.367 2.725 20 5 EFBDRO Cc1cncc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001162479021 1312111395 /nfs/dbraw/zinc/11/13/95/1312111395.db2.gz JYHXVSKANFAKFI-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO COc1cc2ncnc(Nc3ccc(C[NH3+])c(F)c3)c2cc1[N+](=O)[O-] ZINC001162524528 1312118801 /nfs/dbraw/zinc/11/88/01/1312118801.db2.gz FCRLJRKGDUWOEU-UHFFFAOYSA-N 1 0 343.318 2.888 20 5 EFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncnc2cc3ccccc3cc21 ZINC001162532939 1312119709 /nfs/dbraw/zinc/11/97/09/1312119709.db2.gz JXJIDIJVVCZUFO-UHFFFAOYSA-N 1 0 347.378 2.604 20 5 EFBDRO C[C@@H]1C[C@@H](CNc2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001162556552 1312123621 /nfs/dbraw/zinc/12/36/21/1312123621.db2.gz KDPHNAQNHSDNQX-VXGBXAGGSA-N 1 0 335.404 2.960 20 5 EFBDRO Cc1cc(O)c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001229752530 1312132978 /nfs/dbraw/zinc/13/29/78/1312132978.db2.gz BKUYDRCNGTXCHE-OKILXGFUSA-N 1 0 336.388 2.631 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229804187 1312142777 /nfs/dbraw/zinc/14/27/77/1312142777.db2.gz YCQGJRSUUIZELL-GFCCVEGCSA-N 1 0 341.363 2.830 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229807019 1312143594 /nfs/dbraw/zinc/14/35/94/1312143594.db2.gz YOYNCKPDXDKLFT-LLVKDONJSA-O 1 0 344.387 2.831 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2c1cccc2Cl ZINC001162658449 1312144775 /nfs/dbraw/zinc/14/47/75/1312144775.db2.gz BIKXSBFVFWSVFK-UHFFFAOYSA-N 1 0 331.763 2.671 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1c([N+](=O)[O-])cc(C)c(OC)c1[N+](=O)[O-] ZINC001229871632 1312152338 /nfs/dbraw/zinc/15/23/38/1312152338.db2.gz YPJHWOWDNTWATE-LLVKDONJSA-N 1 0 341.364 2.929 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001229901147 1312157018 /nfs/dbraw/zinc/15/70/18/1312157018.db2.gz XNRSUBKAFORLLL-CYBMUJFWSA-N 1 0 336.388 2.941 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001162729383 1312161855 /nfs/dbraw/zinc/16/18/55/1312161855.db2.gz NBGRXEFZEHPMDF-AWEZNQCLSA-N 1 0 343.811 2.791 20 5 EFBDRO CCOc1cnc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001162759687 1312169397 /nfs/dbraw/zinc/16/93/97/1312169397.db2.gz SRIFNCPFMKNUMW-SNVBAGLBSA-N 1 0 327.344 2.747 20 5 EFBDRO CC(=O)Nc1ccc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162777801 1312174037 /nfs/dbraw/zinc/17/40/37/1312174037.db2.gz VJGCZZFGTGUHDT-JTQLQIEISA-N 1 0 339.355 2.912 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001230035699 1312175427 /nfs/dbraw/zinc/17/54/27/1312175427.db2.gz UGEVGSQEIGPIDB-VIFPVBQESA-N 1 0 330.182 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc1-c1ccc(F)cc1 ZINC001162801197 1312178697 /nfs/dbraw/zinc/17/86/97/1312178697.db2.gz HIFQKXJGBPXCOK-VHDGCEQUSA-N 1 0 340.358 2.982 20 5 EFBDRO Cc1ccc(-c2ccc(NC[C@@H]3CC[NH2+]C[C@@H]3F)nn2)cc1[N+](=O)[O-] ZINC001162805311 1312179439 /nfs/dbraw/zinc/17/94/39/1312179439.db2.gz PMYJIMZAYLRLMF-KBPBESRZSA-N 1 0 345.378 2.720 20 5 EFBDRO COC(=O)c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001162810657 1312181090 /nfs/dbraw/zinc/18/10/90/1312181090.db2.gz VLJPRZLWHUXSSK-UHFFFAOYSA-N 1 0 341.367 2.639 20 5 EFBDRO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001162876135 1312194361 /nfs/dbraw/zinc/19/43/61/1312194361.db2.gz PSIHTVDDYDXAID-CQSZACIVSA-N 1 0 347.419 2.630 20 5 EFBDRO COc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)nc(C)c1[N+](=O)[O-] ZINC001162898296 1312199837 /nfs/dbraw/zinc/19/98/37/1312199837.db2.gz AXGCLKUGWPQVQX-VIFPVBQESA-N 1 0 327.344 2.665 20 5 EFBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c1 ZINC001162898688 1312199855 /nfs/dbraw/zinc/19/98/55/1312199855.db2.gz GGAWGGMIYVJTBH-VIFPVBQESA-N 1 0 332.747 2.845 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965830 1312213749 /nfs/dbraw/zinc/21/37/49/1312213749.db2.gz OUZIWSFVPBXMNI-OAHLLOKOSA-N 1 0 349.431 2.954 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)NC2CC3(C2)CCC[NH2+]C3)cnc1Cl ZINC001162981218 1312218072 /nfs/dbraw/zinc/21/80/72/1312218072.db2.gz UTCGAIDNHPYNPU-UHFFFAOYSA-N 1 0 346.765 2.814 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC2CC3(C2)CCC[NH2+]C3)nn1 ZINC001162987031 1312219627 /nfs/dbraw/zinc/21/96/27/1312219627.db2.gz WQTONTNYRDMNHC-UHFFFAOYSA-N 1 0 339.399 2.996 20 5 EFBDRO Cc1ccc2c(c1)[C@@H](Nc1cnc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163034447 1312230078 /nfs/dbraw/zinc/23/00/78/1312230078.db2.gz RLIYGWOMPUXSOS-HNNXBMFYSA-N 1 0 339.399 2.871 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)cc1 ZINC001163051891 1312232643 /nfs/dbraw/zinc/23/26/43/1312232643.db2.gz AHMUVGTXZNKFEC-AWEZNQCLSA-N 1 0 338.367 2.921 20 5 EFBDRO Cc1cc(Cl)nc(Nc2ccc([C@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163054352 1312232846 /nfs/dbraw/zinc/23/28/46/1312232846.db2.gz YLHOIICIWBYVNZ-LLVKDONJSA-N 1 0 336.779 2.730 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)cc(C(F)(F)F)c1 ZINC001163090624 1312238764 /nfs/dbraw/zinc/23/87/64/1312238764.db2.gz XZRKQZAZPBYMDX-JTQLQIEISA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163089877 1312239026 /nfs/dbraw/zinc/23/90/26/1312239026.db2.gz NNFSAMXVJPBHME-SNVBAGLBSA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163089875 1312239031 /nfs/dbraw/zinc/23/90/31/1312239031.db2.gz NNFSAMXVJPBHME-JTQLQIEISA-N 1 0 345.321 2.794 20 5 EFBDRO COC(=O)c1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1 ZINC001163230296 1312270708 /nfs/dbraw/zinc/27/07/08/1312270708.db2.gz OBSWNZKKQOSVMJ-ZDUSSCGKSA-N 1 0 333.369 2.699 20 5 EFBDRO CN1Cc2cc(N[C@H]3C[NH2+]Cc4ccsc43)cc([N+](=O)[O-])c2N1 ZINC001163239854 1312272478 /nfs/dbraw/zinc/27/24/78/1312272478.db2.gz SLEMQKRAKUWOJJ-LBPRGKRZSA-N 1 0 331.401 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001163268795 1312278414 /nfs/dbraw/zinc/27/84/14/1312278414.db2.gz FTLAOXHBWQJBHW-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC001163280175 1312280960 /nfs/dbraw/zinc/28/09/60/1312280960.db2.gz RCFDLIWLZASHCI-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163279023 1312281043 /nfs/dbraw/zinc/28/10/43/1312281043.db2.gz KLWHXTYZNOYSOP-CXAGYDPISA-N 1 0 335.404 2.564 20 5 EFBDRO CN(C)/C=C/c1cc(N[C@H](C[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001163298177 1312284333 /nfs/dbraw/zinc/28/43/33/1312284333.db2.gz WTUAPIUYFCRHMO-XVJNWHFHSA-N 1 0 327.388 2.634 20 5 EFBDRO Cc1ccc2c(ccnc2N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163309180 1312285834 /nfs/dbraw/zinc/28/58/34/1312285834.db2.gz GVJDCGBWRSPBLK-FZKQIMNGSA-N 1 0 342.399 2.774 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001163309978 1312286694 /nfs/dbraw/zinc/28/66/94/1312286694.db2.gz QXDNFFZDKJAADE-CYBMUJFWSA-N 1 0 327.344 2.592 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163318840 1312288735 /nfs/dbraw/zinc/28/87/35/1312288735.db2.gz APDZHQCRBNLMTC-OAHLLOKOSA-N 1 0 346.431 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163323048 1312289286 /nfs/dbraw/zinc/28/92/86/1312289286.db2.gz MBRFOCDLCXIDBL-RISCZKNCSA-N 1 0 345.321 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163322017 1312289319 /nfs/dbraw/zinc/28/93/19/1312289319.db2.gz FRXCBHJJUYEAKI-QMTHXVAHSA-N 1 0 345.321 2.937 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C2CC2)CCC1 ZINC001163404733 1312305944 /nfs/dbraw/zinc/30/59/44/1312305944.db2.gz NVDVLEOXVFNAKU-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CCC1 ZINC001163405317 1312306195 /nfs/dbraw/zinc/30/61/95/1312306195.db2.gz YPFIZTLGPNZARS-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000903065647 1312320945 /nfs/dbraw/zinc/32/09/45/1312320945.db2.gz RSFUKYVLFMTHKH-ABAIWWIYSA-N 1 0 335.383 2.780 20 5 EFBDRO CCOC(=O)c1cn(-c2ccc3ccc4cccnc4c3n2)nc1C[NH3+] ZINC001163520620 1312330990 /nfs/dbraw/zinc/33/09/90/1312330990.db2.gz NPYCTISETZGWNB-UHFFFAOYSA-N 1 0 347.378 2.604 20 5 EFBDRO O=[N+]([O-])c1c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc2cnccc21 ZINC001163650212 1312354446 /nfs/dbraw/zinc/35/44/46/1312354446.db2.gz MJFVAYSTEGJUMJ-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001163650801 1312354955 /nfs/dbraw/zinc/35/49/55/1312354955.db2.gz TVYUBDFCGIVYRB-LSDHHAIUSA-N 1 0 325.796 2.961 20 5 EFBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])c3nncn3c2)c2ccc(C[NH3+])cc12 ZINC001163762117 1312379611 /nfs/dbraw/zinc/37/96/11/1312379611.db2.gz XZSLPZPFLKLTSU-UHFFFAOYSA-N 1 0 336.355 2.657 20 5 EFBDRO CC[N@@H+]1CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001163771456 1312381425 /nfs/dbraw/zinc/38/14/25/1312381425.db2.gz WWZZQGRUWUENAJ-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001163771139 1312381566 /nfs/dbraw/zinc/38/15/66/1312381566.db2.gz XPVCWAFZBBRIIN-MRVPVSSYSA-N 1 0 333.845 2.902 20 5 EFBDRO COc1csc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001163788957 1312385279 /nfs/dbraw/zinc/38/52/79/1312385279.db2.gz SQAPASQWJYJBHF-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO Cc1cnc(N2CCC(COCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001163879361 1312400661 /nfs/dbraw/zinc/40/06/61/1312400661.db2.gz DXBJGXNGDCRBKN-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO Cc1cnc(NCc2cccnc2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001163911559 1312406499 /nfs/dbraw/zinc/40/64/99/1312406499.db2.gz FZYCUZNACVZAKN-UHFFFAOYSA-N 1 0 327.388 2.772 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001231092055 1312428443 /nfs/dbraw/zinc/42/84/43/1312428443.db2.gz APDNZXJBPUUJLE-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO CC[NH+]1CCC(Oc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC001231096247 1312430852 /nfs/dbraw/zinc/43/08/52/1312430852.db2.gz XVOKMQJFULXRAM-UHFFFAOYSA-N 1 0 344.209 2.924 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2nc(C)c(Br)cc2[N+](=O)[O-])C1 ZINC001231121347 1312436803 /nfs/dbraw/zinc/43/68/03/1312436803.db2.gz KPMNYAPSFPEFGU-SECBINFHSA-N 1 0 330.182 2.534 20 5 EFBDRO CC[NH+]1CCC(Oc2nc(C)c(Br)cc2[N+](=O)[O-])CC1 ZINC001231120978 1312436915 /nfs/dbraw/zinc/43/69/15/1312436915.db2.gz BOXXDRSXMPDPOE-UHFFFAOYSA-N 1 0 344.209 2.924 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164074889 1312442550 /nfs/dbraw/zinc/44/25/50/1312442550.db2.gz APKOJJZPWNUOHS-STQMWFEESA-N 1 0 327.388 2.615 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164074886 1312442586 /nfs/dbraw/zinc/44/25/86/1312442586.db2.gz APKOJJZPWNUOHS-OLZOCXBDSA-N 1 0 327.388 2.615 20 5 EFBDRO CCCCCC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001231257138 1312464874 /nfs/dbraw/zinc/46/48/74/1312464874.db2.gz MAYBTIRKCSQABS-MRXNPFEDSA-N 1 0 336.452 2.812 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C\c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231294808 1312473293 /nfs/dbraw/zinc/47/32/93/1312473293.db2.gz GGGWKISRCPYMCU-KTKRTIGZSA-N 1 0 343.383 2.839 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001164257491 1312479682 /nfs/dbraw/zinc/47/96/82/1312479682.db2.gz BDOFIYDRFYVWNL-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231395591 1312485741 /nfs/dbraw/zinc/48/57/41/1312485741.db2.gz XDIASZOJXOGWOJ-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001231397914 1312487012 /nfs/dbraw/zinc/48/70/12/1312487012.db2.gz NKRUYCMAMSIBBW-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO [NH3+]CCON=c1[nH]cc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001164424666 1312511435 /nfs/dbraw/zinc/51/14/35/1312511435.db2.gz ZQZQQFNJYGOMTM-UHFFFAOYSA-N 1 0 342.277 2.978 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCC[C@H]2O)n1 ZINC000903262446 1312518150 /nfs/dbraw/zinc/51/81/50/1312518150.db2.gz DYSBURLRLKZSJY-KLHDSHLOSA-N 1 0 336.436 2.806 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164474256 1312521231 /nfs/dbraw/zinc/52/12/31/1312521231.db2.gz OIUGNIJXUUUCKH-QWHCGFSZSA-N 1 0 327.388 2.615 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001164492508 1312525087 /nfs/dbraw/zinc/52/50/87/1312525087.db2.gz LZCWPPWLKBHOQJ-ARFHVFGLSA-N 1 0 339.399 2.707 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001164603986 1312547782 /nfs/dbraw/zinc/54/77/82/1312547782.db2.gz XQSDGFGEPSJYIL-CYBMUJFWSA-N 1 0 332.791 2.664 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc1Cl ZINC001164608566 1312549572 /nfs/dbraw/zinc/54/95/72/1312549572.db2.gz UEDWGYOJFPPMHK-CQSZACIVSA-N 1 0 346.818 2.973 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC001164613178 1312551156 /nfs/dbraw/zinc/55/11/56/1312551156.db2.gz UDQJEXWAIARHEM-MRXNPFEDSA-N 1 0 326.400 2.628 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001165078589 1312564115 /nfs/dbraw/zinc/56/41/15/1312564115.db2.gz ZXULTOBAZDNYGQ-HNNXBMFYSA-N 1 0 327.388 2.582 20 5 EFBDRO O=[N+]([O-])c1cc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc2[nH]ccc21 ZINC001165123382 1312572560 /nfs/dbraw/zinc/57/25/60/1312572560.db2.gz VEUYXXVYGZFGRF-UHFFFAOYSA-N 1 0 349.394 2.793 20 5 EFBDRO C[NH+]1C[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@H]2C1 ZINC001165147490 1312577973 /nfs/dbraw/zinc/57/79/73/1312577973.db2.gz FPDPLTBJMCEGQE-GHMZBOCLSA-N 1 0 332.791 2.794 20 5 EFBDRO C[NH+]1C[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165150049 1312578451 /nfs/dbraw/zinc/57/84/51/1312578451.db2.gz QQFLPABDJLIQDU-GHMZBOCLSA-N 1 0 332.791 2.794 20 5 EFBDRO CC1(C)CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344197 1312584487 /nfs/dbraw/zinc/58/44/87/1312584487.db2.gz NANPLOFYXONIOW-HUUCEWRRSA-N 1 0 335.452 2.597 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903343798 1312584541 /nfs/dbraw/zinc/58/45/41/1312584541.db2.gz SGXIPPDVHGNZPJ-QAPCUYQASA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001165244765 1312594287 /nfs/dbraw/zinc/59/42/87/1312594287.db2.gz VEUZBMSQKXTHIC-GOSISDBHSA-N 1 0 339.399 2.632 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC4(CCCC[NH2+]4)CC3)c21 ZINC001165248056 1312595185 /nfs/dbraw/zinc/59/51/85/1312595185.db2.gz BAJXKDLEDOWFPE-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO CN(C)/C=C/c1cc(N2CCC3(CCCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001165248691 1312595339 /nfs/dbraw/zinc/59/53/39/1312595339.db2.gz NUMDYWJIUUXNRE-BJMVGYQFSA-N 1 0 345.447 2.635 20 5 EFBDRO O=[N+]([O-])c1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001165264705 1312597848 /nfs/dbraw/zinc/59/78/48/1312597848.db2.gz HTWKUEZNGVCLKQ-LBPRGKRZSA-N 1 0 330.310 2.501 20 5 EFBDRO Cc1cnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001165264508 1312598246 /nfs/dbraw/zinc/59/82/46/1312598246.db2.gz DWOYXDUEXMRSQK-ZDUSSCGKSA-N 1 0 344.337 2.809 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165265240 1312598412 /nfs/dbraw/zinc/59/84/12/1312598412.db2.gz ODMJRUXUMIGUEO-CYBMUJFWSA-N 1 0 344.337 2.809 20 5 EFBDRO CC(=O)N1CCc2cc(NCC[C@@H]3CCC[N@@H+](C)C3)cc([N+](=O)[O-])c21 ZINC001165289780 1312603145 /nfs/dbraw/zinc/60/31/45/1312603145.db2.gz JIMAPGDQJJPLQY-AWEZNQCLSA-N 1 0 346.431 2.648 20 5 EFBDRO CCOC(=O)c1cc(NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001165300078 1312605342 /nfs/dbraw/zinc/60/53/42/1312605342.db2.gz HBMGQXWMFDBOHL-CYBMUJFWSA-N 1 0 335.404 2.915 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165301391 1312605837 /nfs/dbraw/zinc/60/58/37/1312605837.db2.gz VVMFYWKFCYFGME-LBPRGKRZSA-N 1 0 344.337 2.952 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001165318970 1312607775 /nfs/dbraw/zinc/60/77/75/1312607775.db2.gz FZKUBEAPJGTUES-GFCCVEGCSA-N 1 0 339.827 2.705 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165325415 1312609607 /nfs/dbraw/zinc/60/96/07/1312609607.db2.gz ZLVXPMQVOQGMBP-KRWDZBQOSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001165325360 1312609623 /nfs/dbraw/zinc/60/96/23/1312609623.db2.gz YRQFFFGFPOHAJH-CQSZACIVSA-N 1 0 329.404 2.830 20 5 EFBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001165329335 1312610628 /nfs/dbraw/zinc/61/06/28/1312610628.db2.gz LJPLKWHNPCDLHU-MEDUHNTESA-N 1 0 345.790 2.633 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC001165347373 1312613093 /nfs/dbraw/zinc/61/30/93/1312613093.db2.gz OXPSFFZTYNGJGK-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1 ZINC001165351693 1312614116 /nfs/dbraw/zinc/61/41/16/1312614116.db2.gz KHMAPOLSGYTNKH-FUHWJXTLSA-N 1 0 347.378 2.614 20 5 EFBDRO Cc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001165417607 1312625195 /nfs/dbraw/zinc/62/51/95/1312625195.db2.gz QTHFASKAHSKLLP-APWZRJJASA-N 1 0 338.411 2.882 20 5 EFBDRO Cc1cc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165428482 1312628278 /nfs/dbraw/zinc/62/82/78/1312628278.db2.gz DAIODCZZQBDFHY-SWLSCSKDSA-N 1 0 344.390 2.965 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165433927 1312630198 /nfs/dbraw/zinc/63/01/98/1312630198.db2.gz OZIWZGRAEYIJOL-IUODEOHRSA-N 1 0 330.363 2.656 20 5 EFBDRO COc1ccc([N+](=O)[O-])nc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165442523 1312632008 /nfs/dbraw/zinc/63/20/08/1312632008.db2.gz PKFHQXGEYXMFML-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(CCO)cc1 ZINC000903404244 1312635770 /nfs/dbraw/zinc/63/57/70/1312635770.db2.gz YVNUSMBNYLZZBM-CYBMUJFWSA-N 1 0 332.375 2.990 20 5 EFBDRO C[NH+](C)C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218670 1312651218 /nfs/dbraw/zinc/65/12/18/1312651218.db2.gz JSAGAFBUUDLEMK-SFHVURJKSA-N 1 0 336.439 2.545 20 5 EFBDRO O=C1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]2CCCN12 ZINC001232229019 1312652960 /nfs/dbraw/zinc/65/29/60/1312652960.db2.gz XLDWYNNFBYJUFW-SFHVURJKSA-N 1 0 346.434 2.980 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC001019937662 1314542695 /nfs/dbraw/zinc/54/26/95/1314542695.db2.gz UMFFLWFVFHCADX-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019942842 1314544797 /nfs/dbraw/zinc/54/47/97/1314544797.db2.gz JDGWIFDPEBSGIM-HDJSIYSDSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1F ZINC001019945850 1314546522 /nfs/dbraw/zinc/54/65/22/1314546522.db2.gz YKFOGYLTZZMBLM-HDJSIYSDSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019952293 1314548752 /nfs/dbraw/zinc/54/87/52/1314548752.db2.gz LUZKRWNQYIBIRM-HDJSIYSDSA-N 1 0 337.445 2.973 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsc1 ZINC001019975350 1314553678 /nfs/dbraw/zinc/55/36/78/1314553678.db2.gz ZFBLUBNIYYTMTQ-HDJSIYSDSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)o1 ZINC001019990160 1314559918 /nfs/dbraw/zinc/55/99/18/1314559918.db2.gz BMRBHMBCESRDHV-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@]1(F)CCCCNC1)CC2 ZINC001246116640 1314584885 /nfs/dbraw/zinc/58/48/85/1314584885.db2.gz WIYKFXAZXJSFCT-FUHWJXTLSA-N 1 0 335.423 2.914 20 5 EFBDRO Cc1ccc(Nc2cccnc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001213661768 1314587461 /nfs/dbraw/zinc/58/74/61/1314587461.db2.gz VRCIQVQNSLMUAO-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001020054192 1314589876 /nfs/dbraw/zinc/58/98/76/1314589876.db2.gz HDPRLKXJUCSBJD-JOCQHMNTSA-N 1 0 349.412 2.917 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001020104600 1314611525 /nfs/dbraw/zinc/61/15/25/1314611525.db2.gz YIOPGGGZQGSXRU-SHTZXODSSA-N 1 0 329.356 2.547 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020116826 1314617962 /nfs/dbraw/zinc/61/79/62/1314617962.db2.gz WXNPGKOAXIAOSF-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO NC[C@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584674 1314652647 /nfs/dbraw/zinc/65/26/47/1314652647.db2.gz YIEBAFKDIUDIES-FUHWJXTLSA-N 1 0 335.423 2.995 20 5 EFBDRO [NH3+][C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001246590534 1314653479 /nfs/dbraw/zinc/65/34/79/1314653479.db2.gz USNOJPOWMLHWFE-KGLIPLIRSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246590817 1314653654 /nfs/dbraw/zinc/65/36/54/1314653654.db2.gz IEDZYUPKKZYEDT-KDOFPFPSSA-N 1 0 335.448 2.985 20 5 EFBDRO CC(C)C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC001246818456 1314688949 /nfs/dbraw/zinc/68/89/49/1314688949.db2.gz AEARQSMERFKIQM-INIZCTEOSA-N 1 0 346.475 2.884 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3(C2)CCCC[NH2+]3)c1F ZINC001246835236 1314692643 /nfs/dbraw/zinc/69/26/43/1314692643.db2.gz ZQFVLHUUYJHLOJ-LBPRGKRZSA-N 1 0 337.395 2.501 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1c1cccs1)C2 ZINC001246885937 1314703348 /nfs/dbraw/zinc/70/33/48/1314703348.db2.gz OPMACSVDQXHTDY-CVEARBPZSA-N 1 0 329.425 2.770 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@H]([NH2+]C3CC3)C2)c([N+](=O)[O-])c1 ZINC001246915382 1314707520 /nfs/dbraw/zinc/70/75/20/1314707520.db2.gz FGXNSUQVOZPPIE-BBRMVZONSA-N 1 0 333.432 2.751 20 5 EFBDRO COCCN([C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246926672 1314709548 /nfs/dbraw/zinc/70/95/48/1314709548.db2.gz DMMVLLZLKUIQOI-MJGOQNOKSA-N 1 0 347.459 2.543 20 5 EFBDRO CCCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001246931742 1314710774 /nfs/dbraw/zinc/71/07/74/1314710774.db2.gz YONFXBHSUAFXLI-QWHCGFSZSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc(C[C@@H](C)N(C(C)C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246955825 1314714753 /nfs/dbraw/zinc/71/47/53/1314714753.db2.gz VLYWNJNXYIFQDS-GDBMZVCRSA-N 1 0 335.448 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH2+]C[C@@H]1C(F)(F)F)CC2 ZINC001246985364 1314723676 /nfs/dbraw/zinc/72/36/76/1314723676.db2.gz BLFVNDQWHOTSAD-UKRRQHHQSA-N 1 0 343.349 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH2+]C[C@@H]1C(F)(F)F)CC2 ZINC001246985361 1314724011 /nfs/dbraw/zinc/72/40/11/1314724011.db2.gz BLFVNDQWHOTSAD-DZGCQCFKSA-N 1 0 343.349 2.678 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)cn2)CC1 ZINC001215285668 1314809307 /nfs/dbraw/zinc/80/93/07/1314809307.db2.gz SROPFIKQFCZOMF-UHFFFAOYSA-N 1 0 349.341 2.763 20 5 EFBDRO N[C@@H](CCCC[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247696449 1314822520 /nfs/dbraw/zinc/82/25/20/1314822520.db2.gz ZYUAYGOSRBOYPP-AWEZNQCLSA-N 1 0 348.410 2.962 20 5 EFBDRO N[C@H](CCCC[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247702989 1314825488 /nfs/dbraw/zinc/82/54/88/1314825488.db2.gz ZYUAYGOSRBOYPP-CQSZACIVSA-N 1 0 348.410 2.962 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]CCCO4)n3)nc12 ZINC001247751800 1314833441 /nfs/dbraw/zinc/83/34/41/1314833441.db2.gz JSJOOWJOGCUXAF-HNNXBMFYSA-N 1 0 347.378 2.884 20 5 EFBDRO C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247827869 1314848766 /nfs/dbraw/zinc/84/87/66/1314848766.db2.gz FLICHFKBMMCOIK-LBPRGKRZSA-N 1 0 343.318 2.682 20 5 EFBDRO C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248183872 1314901554 /nfs/dbraw/zinc/90/15/54/1314901554.db2.gz FLICHFKBMMCOIK-GFCCVEGCSA-N 1 0 343.318 2.682 20 5 EFBDRO [NH3+]CC1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCCCC1 ZINC001248299019 1314919139 /nfs/dbraw/zinc/91/91/39/1314919139.db2.gz QYRRRTPEWUFCBH-UHFFFAOYSA-N 1 0 335.339 2.631 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4[C@@H]5C[NH2+]C[C@@H]54)n3)nc12 ZINC001248310834 1314921496 /nfs/dbraw/zinc/92/14/96/1314921496.db2.gz XEPUNIMDWUHMBN-NHAGDIPZSA-N 1 0 329.363 2.766 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2csc3c2CC[NH2+]C3)n1 ZINC001217258666 1315052540 /nfs/dbraw/zinc/05/25/40/1315052540.db2.gz PQQSHZSKIVOSSQ-UHFFFAOYSA-N 1 0 347.331 2.553 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001249545838 1315094277 /nfs/dbraw/zinc/09/42/77/1315094277.db2.gz OELWRFQQBMLLTR-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001249546462 1315094309 /nfs/dbraw/zinc/09/43/09/1315094309.db2.gz YDSMECLBHAVJDC-UHFFFAOYSA-N 1 0 341.415 2.789 20 5 EFBDRO CC1(C)[NH2+][C@@H](CO[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CO1 ZINC001217917368 1315120649 /nfs/dbraw/zinc/12/06/49/1315120649.db2.gz WKPJFUFOJVYMJI-CMPLNLGQSA-N 1 0 334.294 2.939 20 5 EFBDRO CC1(C)[NH2+][C@H](CO[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CO1 ZINC001217917371 1315120694 /nfs/dbraw/zinc/12/06/94/1315120694.db2.gz WKPJFUFOJVYMJI-ZYHUDNBSSA-N 1 0 334.294 2.939 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217948762 1315123601 /nfs/dbraw/zinc/12/36/01/1315123601.db2.gz VHAHLTCNESYDIV-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217948760 1315123606 /nfs/dbraw/zinc/12/36/06/1315123606.db2.gz VHAHLTCNESYDIV-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217959378 1315125253 /nfs/dbraw/zinc/12/52/53/1315125253.db2.gz NFTPBNPJLQTZQB-CABZTGNLSA-N 1 0 333.157 2.745 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001217967533 1315126528 /nfs/dbraw/zinc/12/65/28/1315126528.db2.gz JBJNGJFBCCAXMS-PELKAZGASA-N 1 0 341.205 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217971496 1315127261 /nfs/dbraw/zinc/12/72/61/1315127261.db2.gz ILWNANZUUBMATO-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979310 1315128288 /nfs/dbraw/zinc/12/82/88/1315128288.db2.gz FVYNYXUAYMPLLN-CMPLNLGQSA-N 1 0 346.742 2.504 20 5 EFBDRO C[C@@H]1C[C@@H](Oc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C[NH2+]1 ZINC001218039450 1315137250 /nfs/dbraw/zinc/13/72/50/1315137250.db2.gz MRTPHHLIKOQXTD-PSASIEDQSA-N 1 0 341.205 2.975 20 5 EFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCOC2)c1Cl ZINC001218042503 1315138416 /nfs/dbraw/zinc/13/84/16/1315138416.db2.gz PKBQQMCQXCPMAB-MRVPVSSYSA-N 1 0 335.187 2.831 20 5 EFBDRO C[C@@H]1C[C@H](Oc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C[NH2+]1 ZINC001218047953 1315139548 /nfs/dbraw/zinc/13/95/48/1315139548.db2.gz MRTPHHLIKOQXTD-SCZZXKLOSA-N 1 0 341.205 2.975 20 5 EFBDRO C[NH+](C)CCNC(=S)Nc1cc2cccnc2c2ncccc12 ZINC001249840244 1315145209 /nfs/dbraw/zinc/14/52/09/1315145209.db2.gz FKJMLYNTTQQNJC-UHFFFAOYSA-N 1 0 325.441 2.631 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218091985 1315146845 /nfs/dbraw/zinc/14/68/45/1315146845.db2.gz QHLYGJLICFWIDV-AAEUAGOBSA-N 1 0 331.294 2.920 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218098430 1315147397 /nfs/dbraw/zinc/14/73/97/1315147397.db2.gz XXVIAKWXQQEUIC-RDJZCZTQSA-N 1 0 334.372 2.683 20 5 EFBDRO O=c1cc(OC2CC3(C2)CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218103477 1315149026 /nfs/dbraw/zinc/14/90/26/1315149026.db2.gz PMPVLAPXDJKEIH-UHFFFAOYSA-N 1 0 329.356 2.760 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC23C[NH2+]C3)c1 ZINC001218245307 1315170355 /nfs/dbraw/zinc/17/03/55/1315170355.db2.gz YRNOOILMABKPPO-AWEZNQCLSA-N 1 0 334.372 2.681 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218285976 1315174990 /nfs/dbraw/zinc/17/49/90/1315174990.db2.gz OZBLPOPQOZUZBH-MRVPVSSYSA-N 1 0 335.238 2.653 20 5 EFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1CCC[NH2+]C1 ZINC001218288578 1315175123 /nfs/dbraw/zinc/17/51/23/1315175123.db2.gz ZDFCNADNTYXSCZ-GFCCVEGCSA-N 1 0 349.390 2.578 20 5 EFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001218386470 1315187324 /nfs/dbraw/zinc/18/73/24/1315187324.db2.gz LIGSSVUANDOLLB-JVXZTZIISA-N 1 0 327.262 2.901 20 5 EFBDRO COc1cc(Br)c(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218393160 1315188853 /nfs/dbraw/zinc/18/88/53/1315188853.db2.gz NHNLEIFLKDDXLY-IUCAKERBSA-N 1 0 345.193 2.885 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218398859 1315189789 /nfs/dbraw/zinc/18/97/89/1315189789.db2.gz JGCJSTJUCDVXPT-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218399660 1315189977 /nfs/dbraw/zinc/18/99/77/1315189977.db2.gz BSHGFZOZNYBLDC-WCBMZHEXSA-N 1 0 328.752 2.554 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2ccccc21 ZINC001218445569 1315196348 /nfs/dbraw/zinc/19/63/48/1315196348.db2.gz WDOBKACQDXOBOD-DDHOLCJHSA-N 1 0 329.312 2.785 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1[N+](=O)[O-] ZINC001218444543 1315196476 /nfs/dbraw/zinc/19/64/76/1315196476.db2.gz JXDODVYWTFTULY-ZDSQKVDBSA-N 1 0 327.178 2.795 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218447296 1315197006 /nfs/dbraw/zinc/19/70/06/1315197006.db2.gz JDSAMWJZGFYSLL-LALPHHSUSA-N 1 0 334.372 2.679 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC001218446824 1315197013 /nfs/dbraw/zinc/19/70/13/1315197013.db2.gz DBNOANVCHMILFO-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC001218446919 1315197504 /nfs/dbraw/zinc/19/75/04/1315197504.db2.gz FICMGQNRTOQZQI-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218449276 1315197830 /nfs/dbraw/zinc/19/78/30/1315197830.db2.gz SPRMWDPPYVYKMZ-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC001218458018 1315199559 /nfs/dbraw/zinc/19/95/59/1315199559.db2.gz BYZZYKHLNPRRKC-IYYTYJHQSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC001218461803 1315200330 /nfs/dbraw/zinc/20/03/30/1315200330.db2.gz UGLPKZQNVVSBQI-IYYTYJHQSA-N 1 0 327.178 2.734 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001218463431 1315200375 /nfs/dbraw/zinc/20/03/75/1315200375.db2.gz HPMQYBCSTYODHA-GZBFAFLISA-N 1 0 348.399 2.927 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218486717 1315203549 /nfs/dbraw/zinc/20/35/49/1315203549.db2.gz CUUDTJJGOULIJR-KRWDZBQOSA-N 1 0 342.351 2.995 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218484175 1315204034 /nfs/dbraw/zinc/20/40/34/1315204034.db2.gz JCUDEAYQKAPUOG-INIZCTEOSA-N 1 0 328.324 2.605 20 5 EFBDRO Cc1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c([N+](=O)[O-])cc1Br ZINC001218487957 1315204047 /nfs/dbraw/zinc/20/40/47/1315204047.db2.gz BVCYYVXWUNMWHS-MKPLZMMCSA-N 1 0 327.178 2.795 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001218858016 1315251739 /nfs/dbraw/zinc/25/17/39/1315251739.db2.gz UCTKYYOKTNQWQB-GFCCVEGCSA-N 1 0 335.411 2.693 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001218860516 1315252671 /nfs/dbraw/zinc/25/26/71/1315252671.db2.gz ZBPHHXQEIUUPEZ-XIVNJKIFSA-N 1 0 347.422 2.677 20 5 EFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccccc4[N+](=O)[O-])nc32)CC1 ZINC001250745467 1315257490 /nfs/dbraw/zinc/25/74/90/1315257490.db2.gz PZAKXXLJRWMJIS-UHFFFAOYSA-N 1 0 337.383 2.890 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219254335 1315294534 /nfs/dbraw/zinc/29/45/34/1315294534.db2.gz YCRQMWXPOHRYFY-OCCSQVGLSA-N 1 0 335.407 2.717 20 5 EFBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cc4c(cc3[N+](=O)[O-])OCO4)nc2c1 ZINC001250933145 1315298407 /nfs/dbraw/zinc/29/84/07/1315298407.db2.gz CPBJETBKGKGBIT-UHFFFAOYSA-N 1 0 340.339 2.928 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001318412979 1328579989 /nfs/dbraw/zinc/57/99/89/1328579989.db2.gz JTCGOSVSKQVBNK-UKRRQHHQSA-N 1 0 337.445 2.919 20 5 EFBDRO CCNc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251762143 1315376560 /nfs/dbraw/zinc/37/65/60/1315376560.db2.gz YCVXUONNVJFTQY-HUUCEWRRSA-N 1 0 334.420 2.629 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001251963895 1315396253 /nfs/dbraw/zinc/39/62/53/1315396253.db2.gz QIEMHULTXGTBGW-UONOGXRCSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001318441381 1328592077 /nfs/dbraw/zinc/59/20/77/1328592077.db2.gz ZQWJTRSLIDNINX-VBNZEHGJSA-N 1 0 334.420 2.828 20 5 EFBDRO CC(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465965 1315707041 /nfs/dbraw/zinc/70/70/41/1315707041.db2.gz RPPCKNIRTLUDAJ-MRXNPFEDSA-N 1 0 332.448 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cncc(F)c3)CC2)cc1 ZINC001254465911 1315707066 /nfs/dbraw/zinc/70/70/66/1315707066.db2.gz NYAPRKKZYWRANO-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001254475058 1315707491 /nfs/dbraw/zinc/70/74/91/1315707491.db2.gz ZJRNJNFBQSDNPE-GOSISDBHSA-N 1 0 331.416 2.676 20 5 EFBDRO C[C@H]1CC[C@H](CO)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474110 1315707531 /nfs/dbraw/zinc/70/75/31/1315707531.db2.gz MBEIQUHDJIWITD-GJZGRUSLSA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@]1(O)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254475697 1315707537 /nfs/dbraw/zinc/70/75/37/1315707537.db2.gz HCXSGLDCBPWDGP-SFHVURJKSA-N 1 0 333.432 2.801 20 5 EFBDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474112 1315707613 /nfs/dbraw/zinc/70/76/13/1315707613.db2.gz MBEIQUHDJIWITD-LSDHHAIUSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@]34CCCOC4)CC2)cc1 ZINC001254472599 1315707617 /nfs/dbraw/zinc/70/76/17/1315707617.db2.gz FZNUHEWNVHEBPD-QZTJIDSGSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@]1(C)O ZINC001254473840 1315707619 /nfs/dbraw/zinc/70/76/19/1315707619.db2.gz ILFVRVOZURFGOT-KDOFPFPSSA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1O ZINC001254474717 1315707622 /nfs/dbraw/zinc/70/76/22/1315707622.db2.gz UGGOVIOAYOFHIN-KSSFIOAISA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)N1C ZINC001254479717 1315708086 /nfs/dbraw/zinc/70/80/86/1315708086.db2.gz IXUWJVSLSZKJIR-GASCZTMLSA-N 1 0 332.448 2.588 20 5 EFBDRO Cc1nc2c(n1C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C[NH2+]CC2 ZINC001254481573 1315709024 /nfs/dbraw/zinc/70/90/24/1315709024.db2.gz XJKKYPCOKUMRHY-UHFFFAOYSA-N 1 0 341.415 2.587 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c[nH+]cn2c1C ZINC001254525256 1315717671 /nfs/dbraw/zinc/71/76/71/1315717671.db2.gz XOWQOZFBJKJFDY-UHFFFAOYSA-N 1 0 327.296 2.779 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1c2ccccc2OC[C@H]1C[NH3+] ZINC001254539268 1315721103 /nfs/dbraw/zinc/72/11/03/1315721103.db2.gz CJEBOYZVXVWDHD-DZGCQCFKSA-N 1 0 327.384 2.752 20 5 EFBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254540175 1315721117 /nfs/dbraw/zinc/72/11/17/1315721117.db2.gz PPQPOYHEQHVCKS-WMLDXEAASA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1nnc2ccccc21 ZINC001254539425 1315721154 /nfs/dbraw/zinc/72/11/54/1315721154.db2.gz HMSRMQCTPAAWEK-ZDUSSCGKSA-N 1 0 325.372 2.560 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCc2ccccc21 ZINC001254537296 1315721250 /nfs/dbraw/zinc/72/12/50/1315721250.db2.gz ZFVOUMBMTVPKOI-CQSZACIVSA-N 1 0 339.395 2.705 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ncccn2)CC1 ZINC001254534917 1315721356 /nfs/dbraw/zinc/72/13/56/1315721356.db2.gz DRTGWZJWSRTMNR-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001254537297 1315721474 /nfs/dbraw/zinc/72/14/74/1315721474.db2.gz ZIPQLBULXDLPDG-CRAIPNDOSA-N 1 0 344.411 2.693 20 5 EFBDRO COc1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254538767 1315721492 /nfs/dbraw/zinc/72/14/92/1315721492.db2.gz ATKHUAOZPACYMP-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001254539269 1315721528 /nfs/dbraw/zinc/72/15/28/1315721528.db2.gz CJEBOYZVXVWDHD-HIFRSBDPSA-N 1 0 327.384 2.752 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254542126 1315721770 /nfs/dbraw/zinc/72/17/70/1315721770.db2.gz MEIVERHJVKOANY-ACJLOTCBSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001254544132 1315721802 /nfs/dbraw/zinc/72/18/02/1315721802.db2.gz HPYYMSCOGBDEJD-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2cccnc2)C1 ZINC001254545290 1315722185 /nfs/dbraw/zinc/72/21/85/1315722185.db2.gz CAKVVYCHNQVGMJ-QAPCUYQASA-N 1 0 340.427 2.785 20 5 EFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254548698 1315722262 /nfs/dbraw/zinc/72/22/62/1315722262.db2.gz KREFCQLIXCIIGW-BPUTZDHNSA-N 1 0 333.432 2.953 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001254547489 1315722283 /nfs/dbraw/zinc/72/22/83/1315722283.db2.gz IUOWZNDKLGEDDJ-DZGCQCFKSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C1CCOCC1 ZINC001254549802 1315722771 /nfs/dbraw/zinc/72/27/71/1315722771.db2.gz WORZBBIUHMGGEW-CQSZACIVSA-N 1 0 344.415 2.864 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001254555906 1315722859 /nfs/dbraw/zinc/72/28/59/1315722859.db2.gz JIPANCRFIVJDOI-XVTSOASTSA-N 1 0 343.427 2.613 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001254552979 1315722943 /nfs/dbraw/zinc/72/29/43/1315722943.db2.gz QAENRACGICSUPK-UHTWSYAYSA-N 1 0 332.322 2.628 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1nnc(-c2ccc(C[NH3+])cc2)n1 ZINC001254550444 1315723009 /nfs/dbraw/zinc/72/30/09/1315723009.db2.gz JWIWTINPWIUDBP-GFCCVEGCSA-N 1 0 338.371 2.511 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cnc2ccc(F)cn21 ZINC001254549862 1315723012 /nfs/dbraw/zinc/72/30/12/1315723012.db2.gz XVLRITMQMARKOV-NSHDSACASA-N 1 0 341.346 2.928 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001254558474 1315723351 /nfs/dbraw/zinc/72/33/51/1315723351.db2.gz AZNJBXXDKJWMNE-WBVHZDCISA-N 1 0 345.443 2.860 20 5 EFBDRO CCc1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254557224 1315723632 /nfs/dbraw/zinc/72/36/32/1315723632.db2.gz OSLVBESZAWBDOQ-CQSZACIVSA-N 1 0 340.427 2.979 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001254557838 1315723717 /nfs/dbraw/zinc/72/37/17/1315723717.db2.gz CHNFLUQNUFTFAT-MRXNPFEDSA-N 1 0 347.459 2.713 20 5 EFBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC001254559386 1315723734 /nfs/dbraw/zinc/72/37/34/1315723734.db2.gz XIQMEMFBGVLIEW-HNAYVOBHSA-N 1 0 345.443 2.860 20 5 EFBDRO CCOC(=O)C1(F)CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563136 1315724349 /nfs/dbraw/zinc/72/43/49/1315724349.db2.gz UMXXROBEWHOFBP-ZDUSSCGKSA-N 1 0 338.379 2.893 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254567866 1315724770 /nfs/dbraw/zinc/72/47/70/1315724770.db2.gz QCIZTINIEPCAKA-AEFFLSMTSA-N 1 0 340.379 2.956 20 5 EFBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571292 1315725335 /nfs/dbraw/zinc/72/53/35/1315725335.db2.gz RUGFDMLFAMEMQP-GOEBONIOSA-N 1 0 342.399 2.778 20 5 EFBDRO Cc1ccnc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254571523 1315725554 /nfs/dbraw/zinc/72/55/54/1315725554.db2.gz XCNRQFAYVHOPCB-HOCLYGCPSA-N 1 0 342.399 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OC3COC3)cc1)C2 ZINC001254573823 1315725895 /nfs/dbraw/zinc/72/58/95/1315725895.db2.gz CKIHZDYMXOJXJQ-MRXNPFEDSA-N 1 0 340.379 2.629 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571798 1315725954 /nfs/dbraw/zinc/72/59/54/1315725954.db2.gz BWCCKHMIFOKRQI-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO COC(=O)c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572064 1315726048 /nfs/dbraw/zinc/72/60/48/1315726048.db2.gz HQRLDVADCJLGLP-INIZCTEOSA-N 1 0 326.352 2.638 20 5 EFBDRO COc1cc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC001254572516 1315726206 /nfs/dbraw/zinc/72/62/06/1315726206.db2.gz PKSBWQVYOXJRAX-HNNXBMFYSA-N 1 0 328.368 2.609 20 5 EFBDRO CC(=O)N(C)c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572486 1315726213 /nfs/dbraw/zinc/72/62/13/1315726213.db2.gz OPZQLRQFLQAMIT-KRWDZBQOSA-N 1 0 339.395 2.835 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(F)cc3c1OCOC3)C2 ZINC001254575327 1315726320 /nfs/dbraw/zinc/72/63/20/1315726320.db2.gz PSGVANNZZYAQHR-INIZCTEOSA-N 1 0 344.342 2.857 20 5 EFBDRO CC(C)(C)OC(=O)NCC(C)(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579623 1315726501 /nfs/dbraw/zinc/72/65/01/1315726501.db2.gz UNLHXMRDPUMUBB-AWEZNQCLSA-N 1 0 349.431 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC001254577549 1315726513 /nfs/dbraw/zinc/72/65/13/1315726513.db2.gz FKVBXTLGQWLBGO-SUMWQHHRSA-N 1 0 334.322 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001254577590 1315726566 /nfs/dbraw/zinc/72/65/66/1315726566.db2.gz FPHCPXCPVKEQPV-PBASOCQRSA-N 1 0 349.434 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC001254576877 1315726737 /nfs/dbraw/zinc/72/67/37/1315726737.db2.gz ASNXMAHJALRQSI-INIZCTEOSA-N 1 0 332.400 2.585 20 5 EFBDRO COc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1O ZINC001254581202 1315726860 /nfs/dbraw/zinc/72/68/60/1315726860.db2.gz MGPRRMVVAUAEQQ-AWEZNQCLSA-N 1 0 344.367 2.575 20 5 EFBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254582333 1315727077 /nfs/dbraw/zinc/72/70/77/1315727077.db2.gz SESDGZQJUUNUQW-HUUCEWRRSA-N 1 0 340.379 2.664 20 5 EFBDRO COc1cccc2c1C[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254582335 1315727170 /nfs/dbraw/zinc/72/71/70/1315727170.db2.gz SESDGZQJUUNUQW-LSDHHAIUSA-N 1 0 340.379 2.664 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582749 1315727406 /nfs/dbraw/zinc/72/74/06/1315727406.db2.gz WVSSSDQGLNLZTF-IUODEOHRSA-N 1 0 349.431 2.812 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584548 1315727458 /nfs/dbraw/zinc/72/74/58/1315727458.db2.gz SGLBBEQMLNFOOV-PKOBYXMFSA-N 1 0 325.412 2.955 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584643 1315727521 /nfs/dbraw/zinc/72/75/21/1315727521.db2.gz SSUIXFQOYLAFTB-KKUMJFAQSA-N 1 0 347.415 2.707 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCN(c3ccccn3)C1)C2 ZINC001254584375 1315727526 /nfs/dbraw/zinc/72/75/26/1315727526.db2.gz HLMGOKBDNHFAOP-IRXDYDNUSA-N 1 0 338.411 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccnc3)CC1)C2 ZINC001254582456 1315727576 /nfs/dbraw/zinc/72/75/76/1315727576.db2.gz UVWIYRWXABLCJC-QGZVFWFLSA-N 1 0 338.411 2.716 20 5 EFBDRO COc1cccc(OCC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585833 1315727766 /nfs/dbraw/zinc/72/77/66/1315727766.db2.gz XNSKLRWKJQMVJP-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)c1cc(F)cc(F)c1)C2 ZINC001254588511 1315727796 /nfs/dbraw/zinc/72/77/96/1315727796.db2.gz ZXMWPXFSJPAPPH-RDJZCZTQSA-N 1 0 334.322 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001254585908 1315727976 /nfs/dbraw/zinc/72/79/76/1315727976.db2.gz YOBRWNIRJDWBNT-DLBZAZTESA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC001254589456 1315728253 /nfs/dbraw/zinc/72/82/53/1315728253.db2.gz PANVUXNFHVAANQ-WBVHZDCISA-N 1 0 340.379 2.882 20 5 EFBDRO O=c1[nH]c2cc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2o1 ZINC001254588893 1315728369 /nfs/dbraw/zinc/72/83/69/1315728369.db2.gz JXZPSWFMROGJEZ-CYBMUJFWSA-N 1 0 325.324 2.699 20 5 EFBDRO CC[C@H]1[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2 ZINC001254596163 1315728909 /nfs/dbraw/zinc/72/89/09/1315728909.db2.gz PCIHNURMXSAXLM-LMMKCTJWSA-N 1 0 343.427 2.585 20 5 EFBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254594486 1315729146 /nfs/dbraw/zinc/72/91/46/1315729146.db2.gz RLFYMIWPLWBFFV-SNRMKQJTSA-N 1 0 334.375 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1)C2 ZINC001254596277 1315729264 /nfs/dbraw/zinc/72/92/64/1315729264.db2.gz NJUQAQFSTHQDKZ-HSALFYBXSA-N 1 0 338.407 2.740 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCN(c3ccccn3)CC1)C2 ZINC001254596881 1315729279 /nfs/dbraw/zinc/72/92/79/1315729279.db2.gz GFCSIIMPRGZZQX-SFHVURJKSA-N 1 0 338.411 2.669 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603859 1315729561 /nfs/dbraw/zinc/72/95/61/1315729561.db2.gz RDQDDSGIRWQQTN-SJLPKXTDSA-N 1 0 325.368 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001254601261 1315729658 /nfs/dbraw/zinc/72/96/58/1315729658.db2.gz WZPYNBQFVYLHJX-LJQANCHMSA-N 1 0 329.444 2.870 20 5 EFBDRO CCOC(=O)[C@H]1C[C@H](C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603559 1315729896 /nfs/dbraw/zinc/72/98/96/1315729896.db2.gz OCJNWCUSACIQLL-CSMYWGQOSA-N 1 0 332.400 2.726 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254605483 1315730133 /nfs/dbraw/zinc/73/01/33/1315730133.db2.gz AIAOUZGIKDJZFL-RDJZCZTQSA-N 1 0 326.400 2.974 20 5 EFBDRO Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605298 1315730273 /nfs/dbraw/zinc/73/02/73/1315730273.db2.gz BDEAFWZYXSWOQW-ROUUACIJSA-N 1 0 339.395 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001254607981 1315730357 /nfs/dbraw/zinc/73/03/57/1315730357.db2.gz OAKDVANVMFYJJG-TZIWHRDSSA-N 1 0 349.434 2.977 20 5 EFBDRO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606318 1315730393 /nfs/dbraw/zinc/73/03/93/1315730393.db2.gz GJHMHVARPKWLHX-QZTJIDSGSA-N 1 0 339.395 2.919 20 5 EFBDRO COC(=O)c1cccc(C[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254606394 1315730654 /nfs/dbraw/zinc/73/06/54/1315730654.db2.gz FAHRQGQVRWYJPS-GOSISDBHSA-N 1 0 340.379 2.981 20 5 EFBDRO CCC[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(C)=O)CC1 ZINC001254609828 1315731275 /nfs/dbraw/zinc/73/12/75/1315731275.db2.gz YZBWMJHIMFBCEB-IBGZPJMESA-N 1 0 345.443 2.785 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001255731271 1315862681 /nfs/dbraw/zinc/86/26/81/1315862681.db2.gz CYOIAIPTSNAQQD-UONOGXRCSA-N 1 0 335.404 2.514 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256084753 1315902726 /nfs/dbraw/zinc/90/27/26/1315902726.db2.gz HITDPCWMSNFQLF-CQSZACIVSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+]CCSC)CC2)ccc1[N+](=O)[O-] ZINC001256085090 1315903027 /nfs/dbraw/zinc/90/30/27/1315903027.db2.gz IWODDZFTAHXBQJ-UHFFFAOYSA-N 1 0 325.434 2.525 20 5 EFBDRO COc1cc(N2CCC([NH2+]CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256084317 1315903101 /nfs/dbraw/zinc/90/31/01/1315903101.db2.gz ZGTZUSUMXGMDLT-UHFFFAOYSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089419 1315903654 /nfs/dbraw/zinc/90/36/54/1315903654.db2.gz SYYAFXAOAHRZNI-UKRRQHHQSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256090775 1315903755 /nfs/dbraw/zinc/90/37/55/1315903755.db2.gz YAFQGEMBGWFRLT-XJKSGUPXSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCCC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256096855 1315904075 /nfs/dbraw/zinc/90/40/75/1315904075.db2.gz VYIJMGUQCJIRON-UHFFFAOYSA-N 1 0 347.415 2.627 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@]3(C)CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256094932 1315904206 /nfs/dbraw/zinc/90/42/06/1315904206.db2.gz RCVALEADYHRBEH-GOSISDBHSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)Cc3ccno3)CC2)ccc1[N+](=O)[O-] ZINC001256101229 1315905089 /nfs/dbraw/zinc/90/50/89/1315905089.db2.gz CYLCBAVUHONJJG-UHFFFAOYSA-N 1 0 346.387 2.692 20 5 EFBDRO COc1cc(N2CCC([NH+]3CC4(CSC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101375 1315905177 /nfs/dbraw/zinc/90/51/77/1315905177.db2.gz GWKQPIPZTIZQCL-UHFFFAOYSA-N 1 0 349.456 2.621 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1-c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258020919 1316112914 /nfs/dbraw/zinc/11/29/14/1316112914.db2.gz UXGPDDGDJAHXMB-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC001261156322 1316393949 /nfs/dbraw/zinc/39/39/49/1316393949.db2.gz IZWAGQAPFADQLV-UHFFFAOYSA-N 1 0 347.806 2.723 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001261653353 1316423020 /nfs/dbraw/zinc/42/30/20/1316423020.db2.gz IFNNLZUPTLJODV-YGRLFVJLSA-N 1 0 349.822 2.968 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001262376930 1316464799 /nfs/dbraw/zinc/46/47/99/1316464799.db2.gz HFFMSORZRUSUIZ-ZDUSSCGKSA-N 1 0 334.420 2.613 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001262376929 1316464975 /nfs/dbraw/zinc/46/49/75/1316464975.db2.gz HFFMSORZRUSUIZ-CYBMUJFWSA-N 1 0 334.420 2.613 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001263239172 1316523716 /nfs/dbraw/zinc/52/37/16/1316523716.db2.gz DSAKUONFGFJDEN-NVXWUHKLSA-N 1 0 339.395 2.875 20 5 EFBDRO CC[C@H](CC(F)(F)F)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263273310 1316525309 /nfs/dbraw/zinc/52/53/09/1316525309.db2.gz AARKHQXZSQCWMX-ZWNOBZJWSA-N 1 0 333.310 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001322130560 1329431242 /nfs/dbraw/zinc/43/12/42/1329431242.db2.gz VGAMLDFRGYTANH-CYBMUJFWSA-N 1 0 342.823 2.763 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC001318873979 1328729393 /nfs/dbraw/zinc/72/93/93/1328729393.db2.gz XTHBUSLCAWBXTK-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319099280 1328779177 /nfs/dbraw/zinc/77/91/77/1328779177.db2.gz QCLPZTWMZLRXER-INIZCTEOSA-N 1 0 346.431 2.537 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001319203716 1328806412 /nfs/dbraw/zinc/80/64/12/1328806412.db2.gz NXAMYWYTWHSUHD-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 ZINC001319604906 1328927254 /nfs/dbraw/zinc/92/72/54/1328927254.db2.gz YMYONXBJFDMKPR-CYBMUJFWSA-N 1 0 340.387 2.547 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001320540279 1329156604 /nfs/dbraw/zinc/15/66/04/1329156604.db2.gz HOMCQZPDTIQNQN-TZMCWYRMSA-N 1 0 336.392 2.598 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001320590177 1329172071 /nfs/dbraw/zinc/17/20/71/1329172071.db2.gz UILDITVLRGTEQA-UHFFFAOYSA-N 1 0 326.400 2.797 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001320857458 1329311346 /nfs/dbraw/zinc/31/13/46/1329311346.db2.gz LSVMICIDPZSZHF-OLZOCXBDSA-N 1 0 336.392 2.598 20 5 EFBDRO COc1cc(CN2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001321199296 1329355527 /nfs/dbraw/zinc/35/55/27/1329355527.db2.gz NKPXDWFJZCMRPH-UHFFFAOYSA-N 1 0 325.384 2.659 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321705387 1329404007 /nfs/dbraw/zinc/40/40/07/1329404007.db2.gz ZCMMTPNMFJUVGS-OLZOCXBDSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321705390 1329404054 /nfs/dbraw/zinc/40/40/54/1329404054.db2.gz ZCMMTPNMFJUVGS-QWHCGFSZSA-N 1 0 325.796 2.851 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001318024297 1328477873 /nfs/dbraw/zinc/47/78/73/1328477873.db2.gz MLCGMFXLRMOROC-FZKQIMNGSA-N 1 0 348.447 2.877 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001322152923 1329433221 /nfs/dbraw/zinc/43/32/21/1329433221.db2.gz MOINODGYUGFULF-AWEZNQCLSA-N 1 0 329.356 2.651 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001322405068 1329456280 /nfs/dbraw/zinc/45/62/80/1329456280.db2.gz IUWIBNKLZYYDHS-LBPRGKRZSA-N 1 0 332.429 2.640 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001322535497 1329465816 /nfs/dbraw/zinc/46/58/16/1329465816.db2.gz RWPUAGASXBOVFR-GOEBONIOSA-N 1 0 326.400 2.795 20 5 EFBDRO C[NH+]1CCN(C(C)(C)CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001323064723 1329508991 /nfs/dbraw/zinc/50/89/91/1329508991.db2.gz UXOXFPNBHPBEBV-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC001323107008 1329512555 /nfs/dbraw/zinc/51/25/55/1329512555.db2.gz GWDBZYGHCJNARM-UONOGXRCSA-N 1 0 331.376 2.528 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001324400792 1329624065 /nfs/dbraw/zinc/62/40/65/1329624065.db2.gz VZKBZIRIPQXQCV-JKSUJKDBSA-N 1 0 347.415 2.547 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001324409032 1329624608 /nfs/dbraw/zinc/62/46/08/1329624608.db2.gz IVTGYNSLQIWXIG-FCONWMNKSA-N 1 0 341.415 2.600 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324416073 1329625327 /nfs/dbraw/zinc/62/53/27/1329625327.db2.gz BUFIKISDDJOXAF-ZDUSSCGKSA-N 1 0 342.399 2.826 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001324494457 1329632859 /nfs/dbraw/zinc/63/28/59/1329632859.db2.gz HQUJIMMMBLLYBI-LLVKDONJSA-N 1 0 335.379 2.599 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001324567130 1329640979 /nfs/dbraw/zinc/64/09/79/1329640979.db2.gz UTECKEBNCRNLBU-OCCSQVGLSA-N 1 0 330.388 2.679 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324762389 1329656836 /nfs/dbraw/zinc/65/68/36/1329656836.db2.gz BUOJPCSDTLIRJT-GFCCVEGCSA-N 1 0 338.795 2.950 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001325424334 1329686994 /nfs/dbraw/zinc/68/69/94/1329686994.db2.gz VQPIWZKJVJRCJO-ZBFHGGJFSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001325424329 1329687106 /nfs/dbraw/zinc/68/71/06/1329687106.db2.gz VQPIWZKJVJRCJO-GDBMZVCRSA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001326023865 1329730407 /nfs/dbraw/zinc/73/04/07/1329730407.db2.gz BMTHNFJFTRSLTR-LSDHHAIUSA-N 1 0 349.431 2.985 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC001326030596 1329730781 /nfs/dbraw/zinc/73/07/81/1329730781.db2.gz KLFZVTRMYZZNNJ-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001326131581 1329734040 /nfs/dbraw/zinc/73/40/40/1329734040.db2.gz AYVXPIFHFHVTLN-INIZCTEOSA-N 1 0 332.404 2.528 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327662888 1330505964 /nfs/dbraw/zinc/50/59/64/1330505964.db2.gz RNNZSMGPYIRZMS-NXEZZACHSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327662889 1330506125 /nfs/dbraw/zinc/50/61/25/1330506125.db2.gz RNNZSMGPYIRZMS-UWVGGRQHSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327675040 1330507185 /nfs/dbraw/zinc/50/71/85/1330507185.db2.gz RAPWOAHBMJLWJL-TVQRCGJNSA-N 1 0 335.795 2.720 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328042167 1330545014 /nfs/dbraw/zinc/54/50/14/1330545014.db2.gz TZUBZWMEOLULKV-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328523121 1330599641 /nfs/dbraw/zinc/59/96/41/1330599641.db2.gz SJLKVGBLRPJJSV-UHFFFAOYSA-N 1 0 349.456 2.679 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329521249 1330715291 /nfs/dbraw/zinc/71/52/91/1330715291.db2.gz LHVDVVPCWGNSPA-UHFFFAOYSA-N 1 0 347.415 2.599 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc1 ZINC001330504202 1330763290 /nfs/dbraw/zinc/76/32/90/1330763290.db2.gz IFVPXSLFDBAVOC-UHFFFAOYSA-N 1 0 347.459 2.865 20 5 EFBDRO O=C(OCc1cccnc1[N+](=O)[O-])c1cccc(C[NH+]2CCCC2)c1 ZINC001331159905 1330800343 /nfs/dbraw/zinc/80/03/43/1330800343.db2.gz DGFBHTYDHHMUBA-UHFFFAOYSA-N 1 0 341.367 2.943 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001331274087 1330813562 /nfs/dbraw/zinc/81/35/62/1330813562.db2.gz CXOPBOQVYBRKDX-BXUZGUMPSA-N 1 0 336.367 2.682 20 5 EFBDRO C[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001331551955 1330851833 /nfs/dbraw/zinc/85/18/33/1330851833.db2.gz ZNHJFZTUAXVIJA-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331555598 1330852485 /nfs/dbraw/zinc/85/24/85/1330852485.db2.gz BTGFDYGANLCIBJ-CYBMUJFWSA-N 1 0 330.388 2.666 20 5 EFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC001332095484 1330918674 /nfs/dbraw/zinc/91/86/74/1330918674.db2.gz MPEQDYXNXYLDRI-ZDUSSCGKSA-N 1 0 346.412 2.542 20 5 EFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1[NH+](C)C ZINC001332251676 1330947590 /nfs/dbraw/zinc/94/75/90/1330947590.db2.gz RSSOALFQJJKVQG-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001332313959 1330957002 /nfs/dbraw/zinc/95/70/02/1330957002.db2.gz SSEDKENOLCONTG-CYBMUJFWSA-N 1 0 333.432 2.950 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC001332420895 1330969587 /nfs/dbraw/zinc/96/95/87/1330969587.db2.gz MGAIJBXFHKHQSR-INIZCTEOSA-N 1 0 336.367 2.684 20 5 EFBDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001332747127 1331015547 /nfs/dbraw/zinc/01/55/47/1331015547.db2.gz XMPGQRUCKAUVAI-IAGOWNOFSA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001333655698 1331188129 /nfs/dbraw/zinc/18/81/29/1331188129.db2.gz ZDAPHSWPMRKHPW-UHFFFAOYSA-N 1 0 347.337 2.856 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333858808 1331228356 /nfs/dbraw/zinc/22/83/56/1331228356.db2.gz HFQSTSLDGGHTLX-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC([NH+]2CC=CC2)CC1 ZINC001334076031 1331245787 /nfs/dbraw/zinc/24/57/87/1331245787.db2.gz LDUIMYSZYZBULT-UHFFFAOYSA-N 1 0 334.351 2.602 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001334185228 1331263043 /nfs/dbraw/zinc/26/30/43/1331263043.db2.gz AWMODTRXLLRPIL-CJNGLKHVSA-N 1 0 338.404 2.850 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001335446196 1331348556 /nfs/dbraw/zinc/34/85/56/1331348556.db2.gz YKLQVUBPTCVNBU-QAPCUYQASA-N 1 0 333.432 2.625 20 5 EFBDRO COc1c(O)ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC001335468236 1331353771 /nfs/dbraw/zinc/35/37/71/1331353771.db2.gz RVPMEUGORJARMB-CQSZACIVSA-N 1 0 339.436 2.765 20 5 EFBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001335780564 1331402097 /nfs/dbraw/zinc/40/20/97/1331402097.db2.gz KUBKNKPMEGHEBC-VHSXEESVSA-N 1 0 329.194 2.872 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001335898585 1331414940 /nfs/dbraw/zinc/41/49/40/1331414940.db2.gz SOLJTRNLEAFPBC-JSGCOSHPSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1cccc2nc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)n(C)c21 ZINC001336002209 1331426008 /nfs/dbraw/zinc/42/60/08/1331426008.db2.gz KZCGPEILCBXCGM-MRXNPFEDSA-N 1 0 340.383 2.613 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336460765 1331475765 /nfs/dbraw/zinc/47/57/65/1331475765.db2.gz AYVWPDSGYJPYSR-HOTGVXAUSA-N 1 0 347.415 2.739 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336462055 1331475867 /nfs/dbraw/zinc/47/58/67/1331475867.db2.gz OZYYRRXSYIQFGW-HOTGVXAUSA-N 1 0 346.431 2.772 20 5 EFBDRO Nc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001336502882 1331480068 /nfs/dbraw/zinc/48/00/68/1331480068.db2.gz GKCDMMDEBVCDLQ-OAHLLOKOSA-N 1 0 341.415 2.549 20 5 EFBDRO CC(=O)c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001336713133 1331495234 /nfs/dbraw/zinc/49/52/34/1331495234.db2.gz SRBKDMFRJRAKGV-UHFFFAOYSA-N 1 0 347.415 2.535 20 5 EFBDRO CN(C(=O)CC[NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001336725729 1331496750 /nfs/dbraw/zinc/49/67/50/1331496750.db2.gz BQTDGYXLGSZWSQ-UHFFFAOYSA-N 1 0 342.399 2.649 20 5 EFBDRO O=C(CC[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001336854647 1331508952 /nfs/dbraw/zinc/50/89/52/1331508952.db2.gz OORGBDKDDYAKBX-GDIGMMSISA-N 1 0 337.379 2.851 20 5 EFBDRO Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001336930886 1331518586 /nfs/dbraw/zinc/51/85/86/1331518586.db2.gz NNLZKIVIFAVKLT-AWEZNQCLSA-N 1 0 327.388 2.576 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337034115 1331529890 /nfs/dbraw/zinc/52/98/90/1331529890.db2.gz HFWSJRPSXFOLCQ-KBPBESRZSA-N 1 0 333.436 2.663 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337541472 1331583174 /nfs/dbraw/zinc/58/31/74/1331583174.db2.gz QFBQPUUIMMPKLT-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001337678677 1331591891 /nfs/dbraw/zinc/59/18/91/1331591891.db2.gz LFIIVDBPGXJFHX-CYBMUJFWSA-N 1 0 336.367 2.826 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC001338318538 1331690685 /nfs/dbraw/zinc/69/06/85/1331690685.db2.gz GXJRCKUVXSRFCY-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO CC[C@@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334619 1331694039 /nfs/dbraw/zinc/69/40/39/1331694039.db2.gz GHATVOYPNRWDGV-CYBMUJFWSA-N 1 0 334.420 2.721 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001338689187 1331725941 /nfs/dbraw/zinc/72/59/41/1331725941.db2.gz YZKKTQKUQLMPJJ-VNQPRFMTSA-N 1 0 346.431 2.687 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001338689185 1331726024 /nfs/dbraw/zinc/72/60/24/1331726024.db2.gz YZKKTQKUQLMPJJ-KBMXLJTQSA-N 1 0 346.431 2.687 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001339053451 1331779591 /nfs/dbraw/zinc/77/95/91/1331779591.db2.gz JVBOBBIWJNXGDI-UHFFFAOYSA-N 1 0 343.786 2.849 20 5 EFBDRO CC[C@H](C)[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066048 1331781930 /nfs/dbraw/zinc/78/19/30/1331781930.db2.gz OABPJEYPXODFAW-UONOGXRCSA-N 1 0 348.447 2.967 20 5 EFBDRO C/C=C(\CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065362 1331782078 /nfs/dbraw/zinc/78/20/78/1331782078.db2.gz HXXJFDRQNATFJU-YIXHJXPBSA-N 1 0 332.404 2.641 20 5 EFBDRO CC/C(C)=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065359 1331782088 /nfs/dbraw/zinc/78/20/88/1331782088.db2.gz HXCFJVNSRDDTON-QBFSEMIESA-N 1 0 332.404 2.641 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001339608438 1331911653 /nfs/dbraw/zinc/91/16/53/1331911653.db2.gz BEXKIHNNONVDMX-LRDDRELGSA-N 1 0 346.431 2.628 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001340162272 1332146909 /nfs/dbraw/zinc/14/69/09/1332146909.db2.gz DUVNAEXIHBSUJH-CYBMUJFWSA-N 1 0 349.456 2.778 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340209358 1332154666 /nfs/dbraw/zinc/15/46/66/1332154666.db2.gz KEIDNYIXAFSMDT-DLBZAZTESA-N 1 0 346.431 2.535 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340248491 1332160890 /nfs/dbraw/zinc/16/08/90/1332160890.db2.gz ISRKTTIBAMTZFS-KOSOZBLASA-N 1 0 329.400 2.569 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340349707 1332179005 /nfs/dbraw/zinc/17/90/05/1332179005.db2.gz NUYLGZUEWUQKKY-DJIMGWMZSA-N 1 0 337.379 2.615 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340349709 1332179075 /nfs/dbraw/zinc/17/90/75/1332179075.db2.gz NUYLGZUEWUQKKY-OIISXLGYSA-N 1 0 337.379 2.615 20 5 EFBDRO C[C@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001341110081 1332234824 /nfs/dbraw/zinc/23/48/24/1332234824.db2.gz VVAVQIBDJBRGQN-LIRRHRJNSA-N 1 0 339.395 2.703 20 5 EFBDRO C[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)Cc1ccccc1 ZINC001341140122 1332237306 /nfs/dbraw/zinc/23/73/06/1332237306.db2.gz MKRWEXUZYWLXBY-MRXNPFEDSA-N 1 0 341.411 2.772 20 5 EFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001341469705 1332261776 /nfs/dbraw/zinc/26/17/76/1332261776.db2.gz RIDVDOJUEYUMTN-TUAOUCFPSA-N 1 0 337.807 2.519 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001341646203 1332273371 /nfs/dbraw/zinc/27/33/71/1332273371.db2.gz XXBKJZNMOBTWGR-ZLKJLUDKSA-N 1 0 335.429 2.516 20 5 EFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341658998 1332274256 /nfs/dbraw/zinc/27/42/56/1332274256.db2.gz LLIOKZWCTHUTOG-MSOLQXFVSA-N 1 0 337.379 2.618 20 5 EFBDRO [NH3+]C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC001343189400 1332341386 /nfs/dbraw/zinc/34/13/86/1332341386.db2.gz UMVCLFUSLBUWDW-QGZVFWFLSA-N 1 0 333.432 2.799 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001343676423 1332368791 /nfs/dbraw/zinc/36/87/91/1332368791.db2.gz LWMPTHCOTDLOTL-NSHDSACASA-N 1 0 325.796 2.758 20 5 EFBDRO Cc1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC001343774290 1332378849 /nfs/dbraw/zinc/37/88/49/1332378849.db2.gz CAXGQCBRLBROJY-UHFFFAOYSA-N 1 0 325.368 2.844 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001344074812 1332401064 /nfs/dbraw/zinc/40/10/64/1332401064.db2.gz LHZLGKKZYAGIEL-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001344876316 1332490519 /nfs/dbraw/zinc/49/05/19/1332490519.db2.gz SVKUVKICDPCEDO-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001345606480 1332552410 /nfs/dbraw/zinc/55/24/10/1332552410.db2.gz QZVSJHORNYDZDY-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ccc3c(c2)CCC3)c1 ZINC001345607654 1332552886 /nfs/dbraw/zinc/55/28/86/1332552886.db2.gz ZJPMFENLBWFENF-LJQANCHMSA-N 1 0 342.395 2.786 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC2CC[NH+](CC3CCCC3)CC2)c1 ZINC001346123720 1332602084 /nfs/dbraw/zinc/60/20/84/1332602084.db2.gz VNANEOWQGBOZAD-IBGZPJMESA-N 1 0 347.459 2.872 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001346504927 1332649534 /nfs/dbraw/zinc/64/95/34/1332649534.db2.gz MBZNGDXPBGQEDW-AHKGRUIUSA-N 1 0 329.400 2.743 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001346504931 1332650394 /nfs/dbraw/zinc/65/03/94/1332650394.db2.gz MBZNGDXPBGQEDW-OTIVFRFGSA-N 1 0 329.400 2.743 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001346504934 1332650702 /nfs/dbraw/zinc/65/07/02/1332650702.db2.gz MBZNGDXPBGQEDW-YOCVDRLZSA-N 1 0 329.400 2.743 20 5 EFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346702029 1332674991 /nfs/dbraw/zinc/67/49/91/1332674991.db2.gz UJRYUXDBSBQRAU-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001347182018 1332722855 /nfs/dbraw/zinc/72/28/55/1332722855.db2.gz UHVHHJQMGPNPMX-NSHDSACASA-N 1 0 349.822 2.969 20 5 EFBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCc4c3cccc4[N+](=O)[O-])C[N@@H+]2C1 ZINC001347733845 1332769162 /nfs/dbraw/zinc/76/91/62/1332769162.db2.gz JIIPKBCWPZRWOK-RDBSUJKOSA-N 1 0 329.400 2.604 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C=C3CCCC3)c2)CC1 ZINC001349896089 1333010903 /nfs/dbraw/zinc/01/09/03/1333010903.db2.gz KXAAWRMDXCXAKW-UHFFFAOYSA-N 1 0 344.415 2.786 20 5 EFBDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001350329507 1333065133 /nfs/dbraw/zinc/06/51/33/1333065133.db2.gz IKTJYCBYWGNGNG-QGZVFWFLSA-N 1 0 341.367 2.886 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC001350441852 1333082710 /nfs/dbraw/zinc/08/27/10/1333082710.db2.gz WNDFBKWYMAWLFL-CYBMUJFWSA-N 1 0 348.403 2.695 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001351399317 1333224838 /nfs/dbraw/zinc/22/48/38/1333224838.db2.gz OMRFSHNFBCLZGH-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847253382 1333448274 /nfs/dbraw/zinc/44/82/74/1333448274.db2.gz CUEZUGWZERWJTD-ZJJGVRJWSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC000847253552 1333448359 /nfs/dbraw/zinc/44/83/59/1333448359.db2.gz HJCBEMUXSRDOSH-HUUCEWRRSA-N 1 0 337.807 2.995 20 5 EFBDRO CN(C)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353274485 1334059593 /nfs/dbraw/zinc/05/95/93/1334059593.db2.gz UCHQKZALFUBIOR-ROUUACIJSA-N 1 0 347.390 2.660 20 5 EFBDRO CC(C)(NC(=O)c1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001353405216 1334095118 /nfs/dbraw/zinc/09/51/18/1334095118.db2.gz LXKZPSRBSFCZPU-UHFFFAOYSA-N 1 0 327.384 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c1 ZINC001354266039 1334202734 /nfs/dbraw/zinc/20/27/34/1334202734.db2.gz FDUXBZMCSHULCD-UHFFFAOYSA-N 1 0 335.448 2.822 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001354412066 1334286348 /nfs/dbraw/zinc/28/63/48/1334286348.db2.gz JNYUPOYWBRDYAD-UHFFFAOYSA-N 1 0 330.392 2.596 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001002497952 1334296107 /nfs/dbraw/zinc/29/61/07/1334296107.db2.gz CXBXIKOFPCXJQZ-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002567260 1334409379 /nfs/dbraw/zinc/40/93/79/1334409379.db2.gz FEZMEGUITFVCDG-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO O=C(C=C1CCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002582183 1334433650 /nfs/dbraw/zinc/43/36/50/1334433650.db2.gz STFPZTGTVDEFLK-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO O=C(C=C1CCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002587293 1334442270 /nfs/dbraw/zinc/44/22/70/1334442270.db2.gz FVEKWYBOAJRNBJ-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848478262 1334735776 /nfs/dbraw/zinc/73/57/76/1334735776.db2.gz DZZKJKBONQRXNN-AWEZNQCLSA-N 1 0 330.388 2.774 20 5 EFBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848478264 1334736156 /nfs/dbraw/zinc/73/61/56/1334736156.db2.gz DZZKJKBONQRXNN-CQSZACIVSA-N 1 0 330.388 2.774 20 5 EFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483115 1334739601 /nfs/dbraw/zinc/73/96/01/1334739601.db2.gz YRQCAVSNCZNPSY-UKRRQHHQSA-N 1 0 330.388 2.651 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848520162 1334770849 /nfs/dbraw/zinc/77/08/49/1334770849.db2.gz WQRGIVNMULGJIO-FUHWJXTLSA-N 1 0 328.368 2.914 20 5 EFBDRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848527171 1334775264 /nfs/dbraw/zinc/77/52/64/1334775264.db2.gz UDVXUDSZQBOUCA-INIZCTEOSA-N 1 0 343.358 2.741 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848656301 1334827147 /nfs/dbraw/zinc/82/71/47/1334827147.db2.gz KEBAEUFGDROABO-HUUCEWRRSA-N 1 0 334.445 2.898 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000848761914 1334881881 /nfs/dbraw/zinc/88/18/81/1334881881.db2.gz AWUGQQFYDDARFX-UHFFFAOYSA-N 1 0 346.431 2.790 20 5 EFBDRO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001356510016 1335045867 /nfs/dbraw/zinc/04/58/67/1335045867.db2.gz AHBFRZBUSUDFBG-YGRLFVJLSA-N 1 0 346.353 2.660 20 5 EFBDRO CC(C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849056066 1335061017 /nfs/dbraw/zinc/06/10/17/1335061017.db2.gz SHJIZBTXAIRULH-UHFFFAOYSA-N 1 0 333.314 2.548 20 5 EFBDRO CCN(CC)C(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849056065 1335061225 /nfs/dbraw/zinc/06/12/25/1335061225.db2.gz SHDCWEGBGVIHCQ-UHFFFAOYSA-N 1 0 347.341 2.892 20 5 EFBDRO CC(C)(C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849056114 1335061700 /nfs/dbraw/zinc/06/17/00/1335061700.db2.gz WOCBYIXSCFEHMH-UHFFFAOYSA-N 1 0 347.341 2.938 20 5 EFBDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000849065164 1335067055 /nfs/dbraw/zinc/06/70/55/1335067055.db2.gz AGNBTCLOMVSANR-UHFFFAOYSA-N 1 0 330.344 2.748 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001357644854 1335322341 /nfs/dbraw/zinc/32/23/41/1335322341.db2.gz ZDPAPCWCJUJXLJ-WOPDTQHZSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001358142746 1335363257 /nfs/dbraw/zinc/36/32/57/1335363257.db2.gz NMDDDGVQMJRRET-SJKOYZFVSA-N 1 0 325.368 2.659 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001358393583 1335375669 /nfs/dbraw/zinc/37/56/69/1335375669.db2.gz JZFDYAKLLGDBGR-UHFFFAOYSA-N 1 0 339.395 2.728 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001358394684 1335375972 /nfs/dbraw/zinc/37/59/72/1335375972.db2.gz RHIWSYMXJHYNIY-AHIWAGSCSA-N 1 0 349.456 2.805 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162386364 1418727159 /nfs/dbraw/zinc/72/71/59/1418727159.db2.gz CBXSCVLOJJWMPH-ZJUUUORDSA-N 1 0 328.210 2.526 20 5 EFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1O ZINC000400098746 1424342972 /nfs/dbraw/zinc/34/29/72/1424342972.db2.gz YQNCXZFJBMPCNE-TVQRCGJNSA-N 1 0 329.194 2.560 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000120399318 713101931 /nfs/dbraw/zinc/10/19/31/713101931.db2.gz ULVXDHPUWSNYDQ-ZDUSSCGKSA-N 1 0 325.372 2.839 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000120399135 713102000 /nfs/dbraw/zinc/10/20/00/713102000.db2.gz ULVXDHPUWSNYDQ-CYBMUJFWSA-N 1 0 325.372 2.839 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804778530 713467103 /nfs/dbraw/zinc/46/71/03/713467103.db2.gz VAUNWSKCOSBVAT-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000177315970 713717694 /nfs/dbraw/zinc/71/76/94/713717694.db2.gz WQWFVIOFAPDIID-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000126149728 714451653 /nfs/dbraw/zinc/45/16/53/714451653.db2.gz NWKRBHWCJGIYIL-UHFFFAOYSA-N 1 0 327.812 2.908 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1F ZINC001021787597 714476861 /nfs/dbraw/zinc/47/68/61/714476861.db2.gz YKFOGYLTZZMBLM-OKILXGFUSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccc(F)c1 ZINC001021790889 714479574 /nfs/dbraw/zinc/47/95/74/714479574.db2.gz RMEZXNPHSIUQAQ-IYBDPMFKSA-N 1 0 343.358 2.785 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001021824866 714539998 /nfs/dbraw/zinc/53/99/98/714539998.db2.gz TUONJGKMBSTJGV-BETUJISGSA-N 1 0 349.412 2.917 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(Cl)c[nH]1 ZINC001021832619 714550647 /nfs/dbraw/zinc/55/06/47/714550647.db2.gz ZZZAFUQSTFEGEU-BETUJISGSA-N 1 0 348.790 2.627 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)o1 ZINC001021840911 714553220 /nfs/dbraw/zinc/55/32/20/714553220.db2.gz XUMDXAWBPCOXID-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022028963 714664343 /nfs/dbraw/zinc/66/43/43/714664343.db2.gz MQULSJBLUJAWDV-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933334650 714669555 /nfs/dbraw/zinc/66/95/55/714669555.db2.gz RZTITQGXCCBTAR-CYBMUJFWSA-N 1 0 349.456 2.875 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022037468 714679285 /nfs/dbraw/zinc/67/92/85/714679285.db2.gz NZMJBXMPHHOUCP-BETUJISGSA-N 1 0 349.412 2.917 20 5 EFBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000891475552 714775726 /nfs/dbraw/zinc/77/57/26/714775726.db2.gz HXNNDYBOAMEWKK-HNNXBMFYSA-N 1 0 345.403 2.586 20 5 EFBDRO COc1c(O)ccc(CN2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000891570830 714829701 /nfs/dbraw/zinc/82/97/01/714829701.db2.gz FVUUHSIDYFAWSS-UHFFFAOYSA-N 1 0 349.431 2.759 20 5 EFBDRO COC(=O)COc1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000891621570 714872821 /nfs/dbraw/zinc/87/28/21/714872821.db2.gz RBDBOJKDFUUSQA-UHFFFAOYSA-N 1 0 344.367 2.779 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C12CCC(CC1)C2 ZINC001022288363 714968715 /nfs/dbraw/zinc/96/87/15/714968715.db2.gz CDJVPBPFCIPGBL-DFUFTTGPSA-N 1 0 349.456 2.973 20 5 EFBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891786414 715018151 /nfs/dbraw/zinc/01/81/51/715018151.db2.gz OFNHHMUZOXKXEC-UHFFFAOYSA-N 1 0 331.372 2.769 20 5 EFBDRO CC(C)[N@H+](C)CCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891790245 715020826 /nfs/dbraw/zinc/02/08/26/715020826.db2.gz VNWMMDPQJYBHSV-UHFFFAOYSA-N 1 0 332.404 2.589 20 5 EFBDRO C[C@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235715806 718023135 /nfs/dbraw/zinc/02/31/35/718023135.db2.gz NLTLXGDJHXHMJN-ZDUSSCGKSA-N 1 0 329.194 2.704 20 5 EFBDRO CC[NH+](CC)CCOc1ccc(CNc2c([N+](=O)[O-])cnn2C)cc1 ZINC000891831281 715047769 /nfs/dbraw/zinc/04/77/69/715047769.db2.gz RBHGCOCGKXAUCU-UHFFFAOYSA-N 1 0 347.419 2.661 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933780279 715047930 /nfs/dbraw/zinc/04/79/30/715047930.db2.gz WTSWSFKCCKGSOQ-JCGIZDLHSA-N 1 0 345.443 2.889 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000891897046 715100595 /nfs/dbraw/zinc/10/05/95/715100595.db2.gz ATMUWRWLJWPHBT-MCIONIFRSA-N 1 0 334.420 2.840 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000933927247 715115057 /nfs/dbraw/zinc/11/50/57/715115057.db2.gz MUKPITGWJQUWIV-HNNXBMFYSA-N 1 0 348.378 2.782 20 5 EFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]2CO)cc1OC ZINC000934015893 715178904 /nfs/dbraw/zinc/17/89/04/715178904.db2.gz IWMYNORELPLZIM-GXTWGEPZSA-N 1 0 338.404 2.595 20 5 EFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]2CO)cc1OC ZINC000934015895 715178936 /nfs/dbraw/zinc/17/89/36/715178936.db2.gz IWMYNORELPLZIM-OCCSQVGLSA-N 1 0 338.404 2.595 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022550729 715206520 /nfs/dbraw/zinc/20/65/20/715206520.db2.gz HADAIQSVCBCZOD-TXEJJXNPSA-N 1 0 335.385 2.608 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001022569637 715219610 /nfs/dbraw/zinc/21/96/10/715219610.db2.gz GYACGODJUZAHEZ-TXEJJXNPSA-N 1 0 335.385 2.608 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000892058832 715237450 /nfs/dbraw/zinc/23/74/50/715237450.db2.gz JQXJRVOMBJZIFQ-UHFFFAOYSA-N 1 0 336.388 2.702 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000892110841 715256550 /nfs/dbraw/zinc/25/65/50/715256550.db2.gz HHWUSWRLKZXGPG-CYBMUJFWSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236979 715274163 /nfs/dbraw/zinc/27/41/63/715274163.db2.gz SNSZSZRZMAXTCL-ZDUSSCGKSA-N 1 0 328.372 2.539 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022656713 715277428 /nfs/dbraw/zinc/27/74/28/715277428.db2.gz NKYSVOFYFVDBAD-GASCZTMLSA-N 1 0 343.383 2.801 20 5 EFBDRO C[N@H+](CC1CCOCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000124645204 715448712 /nfs/dbraw/zinc/44/87/12/715448712.db2.gz OZUHCGOLLLKMGA-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH]1 ZINC001022779250 715646149 /nfs/dbraw/zinc/64/61/49/715646149.db2.gz DHOXQFMLCADAFD-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)[nH]1 ZINC001022779373 715646378 /nfs/dbraw/zinc/64/63/78/715646378.db2.gz JIOJVTIXCHRQKA-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO CN(CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000124986631 715757633 /nfs/dbraw/zinc/75/76/33/715757633.db2.gz AUAQZGIZBFVQDV-JTQLQIEISA-N 1 0 330.793 2.591 20 5 EFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000125206766 715992478 /nfs/dbraw/zinc/99/24/78/715992478.db2.gz LTAIRVWYQHRKOW-UHFFFAOYSA-N 1 0 337.420 2.984 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000890516909 716078120 /nfs/dbraw/zinc/07/81/20/716078120.db2.gz QZJBLZPCDQGSFK-DZGCQCFKSA-N 1 0 331.416 2.910 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000176988576 717338228 /nfs/dbraw/zinc/33/82/28/717338228.db2.gz ZXIZIJFDKLKXIX-UHFFFAOYSA-N 1 0 335.452 2.581 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255692774 717418184 /nfs/dbraw/zinc/41/81/84/717418184.db2.gz QYKVRSQTKZJFKG-MEODZPNASA-N 1 0 331.416 2.989 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925244946 724472783 /nfs/dbraw/zinc/47/27/83/724472783.db2.gz WMKRQDDMCDCBOY-HIFRSBDPSA-N 1 0 334.420 2.782 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000228549338 718100682 /nfs/dbraw/zinc/10/06/82/718100682.db2.gz UKMKWGUJMVZTHG-YUSALJHKSA-N 1 0 340.221 2.921 20 5 EFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880692 718148102 /nfs/dbraw/zinc/14/81/02/718148102.db2.gz FDPMWKAEFGRGHO-OAHLLOKOSA-N 1 0 326.418 2.603 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892571007 718297551 /nfs/dbraw/zinc/29/75/51/718297551.db2.gz UGKSZBOCMZPDBN-STQMWFEESA-N 1 0 337.420 2.662 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000892617792 718348365 /nfs/dbraw/zinc/34/83/65/718348365.db2.gz BVGPLAIEGCYYFS-CYBMUJFWSA-N 1 0 334.376 2.958 20 5 EFBDRO COc1c(O)ccc(CN[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892668285 718411918 /nfs/dbraw/zinc/41/19/18/718411918.db2.gz FUFQJDLTLOFOFI-CHWSQXEVSA-N 1 0 337.420 2.519 20 5 EFBDRO CC(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981628578 718902273 /nfs/dbraw/zinc/90/22/73/718902273.db2.gz AVUCZFAAYXLAHI-UHFFFAOYSA-N 1 0 331.416 2.675 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164634161 719177730 /nfs/dbraw/zinc/17/77/30/719177730.db2.gz ILDFHUXHOQHSOH-UWVGGRQHSA-N 1 0 335.795 2.720 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634118 719223166 /nfs/dbraw/zinc/22/31/66/719223166.db2.gz FTSNKOJEEPFOIO-KGLIPLIRSA-N 1 0 341.415 2.889 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CCCCC1 ZINC001025655438 719290025 /nfs/dbraw/zinc/29/00/25/719290025.db2.gz GOMVJDNAPLNLMN-PIIMJCKOSA-N 1 0 343.427 2.722 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CCCCC1 ZINC001025655495 719290081 /nfs/dbraw/zinc/29/00/81/719290081.db2.gz WQRJNXHOHJHINT-PIIMJCKOSA-N 1 0 343.427 2.722 20 5 EFBDRO CC(C(=O)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21)=C1CCC1 ZINC001025773086 719310317 /nfs/dbraw/zinc/31/03/17/719310317.db2.gz IXMOEFWHVGHIAZ-FOLVSLTJSA-N 1 0 347.440 2.703 20 5 EFBDRO CC(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)=C1CCC1 ZINC001025774027 719314772 /nfs/dbraw/zinc/31/47/72/719314772.db2.gz IPZSNXTXFHCDRO-VQFNDLOPSA-N 1 0 341.411 2.642 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H](C)CCc2cccn2C)c1[N+](=O)[O-] ZINC000892954493 719333042 /nfs/dbraw/zinc/33/30/42/719333042.db2.gz ZZVHEKQZZDYTFO-GFCCVEGCSA-N 1 0 333.388 2.758 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000066795663 719419105 /nfs/dbraw/zinc/41/91/05/719419105.db2.gz IZNIUXVNNFFJLY-UHFFFAOYSA-N 1 0 345.447 2.949 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(Cl)c[nH]1 ZINC001019985923 719425524 /nfs/dbraw/zinc/42/55/24/719425524.db2.gz UKJJEQSWEBIFLQ-JOCQHMNTSA-N 1 0 348.790 2.627 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001968 719429047 /nfs/dbraw/zinc/42/90/47/719429047.db2.gz RCDITIHPVCCVSS-CHWSQXEVSA-N 1 0 346.836 2.694 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1Cl ZINC001020105200 719449121 /nfs/dbraw/zinc/44/91/21/719449121.db2.gz QTCMSZQULIWIBB-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO COc1cc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000893026462 719486798 /nfs/dbraw/zinc/48/67/98/719486798.db2.gz NKKAEAKJENUNAG-DZGCQCFKSA-N 1 0 349.431 2.938 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000893037018 719516031 /nfs/dbraw/zinc/51/60/31/719516031.db2.gz HUZSTAQWIOBHNT-GFCCVEGCSA-N 1 0 328.796 2.781 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025961555 719580769 /nfs/dbraw/zinc/58/07/69/719580769.db2.gz PCXIAVYXDJRWOL-NHAGDIPZSA-N 1 0 349.456 2.639 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893092694 719625032 /nfs/dbraw/zinc/62/50/32/719625032.db2.gz MVRJQMHWTIENOH-IUIKQTSFSA-N 1 0 336.388 2.602 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2N2CCCCC2)c1 ZINC000893135206 719719732 /nfs/dbraw/zinc/71/97/32/719719732.db2.gz NJZKWOGHYBMHCR-UHFFFAOYSA-N 1 0 329.404 2.571 20 5 EFBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)COC3)c1[N+](=O)[O-] ZINC000893146646 719731965 /nfs/dbraw/zinc/73/19/65/719731965.db2.gz NEORDPCZWMUZJY-UHFFFAOYSA-N 1 0 330.340 2.629 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000932031334 719824246 /nfs/dbraw/zinc/82/42/46/719824246.db2.gz MAAKJNQBPZFMHN-UHFFFAOYSA-N 1 0 339.461 2.977 20 5 EFBDRO CN(C)c1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000894063314 720258812 /nfs/dbraw/zinc/25/88/12/720258812.db2.gz LPOIBHMOFIRLOZ-AWEZNQCLSA-N 1 0 327.388 2.835 20 5 EFBDRO COCCOC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894082492 720263977 /nfs/dbraw/zinc/26/39/77/720263977.db2.gz ZGAPGTDEFRTWJE-SNVBAGLBSA-N 1 0 336.310 2.755 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841103605 720296203 /nfs/dbraw/zinc/29/62/03/720296203.db2.gz QJUKVQMLYNHKIZ-ZJUUUORDSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841103604 720301315 /nfs/dbraw/zinc/30/13/15/720301315.db2.gz QJUKVQMLYNHKIZ-VHSXEESVSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841104577 720711283 /nfs/dbraw/zinc/71/12/83/720711283.db2.gz ZGSHLZGGCKDYMB-CQSZACIVSA-N 1 0 326.784 2.759 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000126270562 721007365 /nfs/dbraw/zinc/00/73/65/721007365.db2.gz YWNGYPISIAAHCF-CQSZACIVSA-N 1 0 333.432 2.968 20 5 EFBDRO Cn1c2ccccc2c(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000894164508 721011871 /nfs/dbraw/zinc/01/18/71/721011871.db2.gz ALVFFDFIYZLXKU-CYBMUJFWSA-N 1 0 344.415 2.591 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000983035709 721774298 /nfs/dbraw/zinc/77/42/98/721774298.db2.gz DYPYNMCUWFUWQK-CZIWCDLHSA-N 1 0 339.395 2.893 20 5 EFBDRO CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000841369440 724795458 /nfs/dbraw/zinc/79/54/58/724795458.db2.gz DCLIGEKTIBZPOY-UHFFFAOYSA-N 1 0 341.358 2.819 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000894266039 721793335 /nfs/dbraw/zinc/79/33/35/721793335.db2.gz ZBKMQFRNJSJYBL-CQSZACIVSA-N 1 0 344.367 2.792 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001165037095 721899303 /nfs/dbraw/zinc/89/93/03/721899303.db2.gz JTWYHBREFILSKY-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001165041089 721932667 /nfs/dbraw/zinc/93/26/67/721932667.db2.gz GZDPURBPBIMBNF-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001165043094 721938013 /nfs/dbraw/zinc/93/80/13/721938013.db2.gz NSYONHMXSMJULJ-UHFFFAOYSA-N 1 0 341.415 2.830 20 5 EFBDRO C[NH+](C)CC1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001165042786 721944087 /nfs/dbraw/zinc/94/40/87/721944087.db2.gz WTYXOGJLIMFRQH-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048346 721970089 /nfs/dbraw/zinc/97/00/89/721970089.db2.gz OIUNPABJRQAEES-AWEZNQCLSA-N 1 0 349.435 2.547 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165053166 722005462 /nfs/dbraw/zinc/00/54/62/722005462.db2.gz KQOFHRTYDFVNNI-YFHOEESVSA-N 1 0 347.463 2.833 20 5 EFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000126485091 722058007 /nfs/dbraw/zinc/05/80/07/722058007.db2.gz ILXPTKBPNCYKHV-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC=CC1 ZINC000983370199 722083514 /nfs/dbraw/zinc/08/35/14/722083514.db2.gz DVCDCHBTHHUKLF-KOMQPUFPSA-N 1 0 329.400 2.545 20 5 EFBDRO O=C(CC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983396762 722130739 /nfs/dbraw/zinc/13/07/39/722130739.db2.gz FMWXQEDLWUBGPW-MQMHXKEQSA-N 1 0 337.445 2.831 20 5 EFBDRO O=C(CC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983397444 722131935 /nfs/dbraw/zinc/13/19/35/722131935.db2.gz MIDDBMCUVFVZAS-WKILWMFISA-N 1 0 331.416 2.769 20 5 EFBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983580300 722732069 /nfs/dbraw/zinc/73/20/69/722732069.db2.gz XSECVUFKGJFKJP-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO [NH3+]CCN(Cc1cnn(CC2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000894448200 722740000 /nfs/dbraw/zinc/74/00/00/722740000.db2.gz MGKYEXFNUDZPTE-UHFFFAOYSA-N 1 0 329.404 2.557 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108496645 722760660 /nfs/dbraw/zinc/76/06/60/722760660.db2.gz UDNHUKWCMDPTIS-GFCCVEGCSA-N 1 0 338.795 2.854 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1[N+](=O)[O-] ZINC000894677900 722813606 /nfs/dbraw/zinc/81/36/06/722813606.db2.gz XKZAWYSUZUYMBL-HNNXBMFYSA-N 1 0 346.383 2.656 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1[N+](=O)[O-] ZINC000894714246 722824338 /nfs/dbraw/zinc/82/43/38/722824338.db2.gz HQMJZQHDCATMRX-GOSISDBHSA-N 1 0 346.383 2.960 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc4n3CCOC4)C2)cc1 ZINC000894718815 722827522 /nfs/dbraw/zinc/82/75/22/722827522.db2.gz KOWNRNHFSVZIHW-OAHLLOKOSA-N 1 0 342.399 2.701 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000894865816 722916867 /nfs/dbraw/zinc/91/68/67/722916867.db2.gz NKDNVNWWPVZRGP-DZGCQCFKSA-N 1 0 329.404 2.508 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1[N+](=O)[O-] ZINC000894893441 723010733 /nfs/dbraw/zinc/01/07/33/723010733.db2.gz TYAUSUABKAARQY-PBHICJAKSA-N 1 0 344.367 2.711 20 5 EFBDRO C[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC[NH2+]C1 ZINC000841233126 723055778 /nfs/dbraw/zinc/05/57/78/723055778.db2.gz LQWDHAKRBRQUDG-CQSZACIVSA-N 1 0 326.784 2.759 20 5 EFBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000895952598 723069664 /nfs/dbraw/zinc/06/96/64/723069664.db2.gz HLYPNLNATMLHAK-LBPRGKRZSA-N 1 0 325.328 2.880 20 5 EFBDRO O=C(C1CC=CC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001029251473 723178044 /nfs/dbraw/zinc/17/80/44/723178044.db2.gz AULMTBOSPOKUML-HDICACEKSA-N 1 0 341.411 2.736 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917899110 728802911 /nfs/dbraw/zinc/80/29/11/728802911.db2.gz RSGPKDQCLYRILI-CJNGLKHVSA-N 1 0 334.420 2.829 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896378134 723275664 /nfs/dbraw/zinc/27/56/64/723275664.db2.gz OBKRWMPTMJYJFX-NSHDSACASA-N 1 0 346.305 2.808 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000896512337 723323294 /nfs/dbraw/zinc/32/32/94/723323294.db2.gz OABMDCOAGBGTSB-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000918166992 728848839 /nfs/dbraw/zinc/84/88/39/728848839.db2.gz TXSDNJOONSGLRB-UHFFFAOYSA-N 1 0 336.461 2.955 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001029559800 723936306 /nfs/dbraw/zinc/93/63/06/723936306.db2.gz FTKCWEFZIHEZGA-IYBDPMFKSA-N 1 0 331.416 2.816 20 5 EFBDRO C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000895246530 723940936 /nfs/dbraw/zinc/94/09/36/723940936.db2.gz DBYJDGWJPGTRQQ-TVQRCGJNSA-N 1 0 347.246 2.948 20 5 EFBDRO C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000895246528 723940970 /nfs/dbraw/zinc/94/09/70/723940970.db2.gz DBYJDGWJPGTRQQ-RNCFNFMXSA-N 1 0 347.246 2.948 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C2CCC2)CC1 ZINC000985198201 723962488 /nfs/dbraw/zinc/96/24/88/723962488.db2.gz HKGDFDRJDJCAJC-UHFFFAOYSA-N 1 0 337.445 2.879 20 5 EFBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000895276123 723969654 /nfs/dbraw/zinc/96/96/54/723969654.db2.gz RQUMUSYBRUDWKK-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897063600 723976308 /nfs/dbraw/zinc/97/63/08/723976308.db2.gz DPOCWAFLCDHIKS-INIZCTEOSA-N 1 0 331.416 2.959 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)CC2CC2)CC1 ZINC000985207011 723988154 /nfs/dbraw/zinc/98/81/54/723988154.db2.gz QVXCTRVDPMCKRO-UHFFFAOYSA-N 1 0 337.445 2.879 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(O)CCOCC1 ZINC000841890049 724134058 /nfs/dbraw/zinc/13/40/58/724134058.db2.gz KMRFNXZFAFZVDQ-UHFFFAOYSA-N 1 0 342.823 2.906 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000895454556 724145217 /nfs/dbraw/zinc/14/52/17/724145217.db2.gz DZMJSGPLKMOGBV-OAHLLOKOSA-N 1 0 338.404 2.994 20 5 EFBDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707719 724266911 /nfs/dbraw/zinc/26/69/11/724266911.db2.gz MPNYELFYVFEUOG-PSKZRQQASA-N 1 0 348.321 2.836 20 5 EFBDRO COc1ccc(C[NH2+]C[C@]2(O)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000109015965 724273115 /nfs/dbraw/zinc/27/31/15/724273115.db2.gz NADMMYPOGFQPNV-LJQANCHMSA-N 1 0 342.395 2.917 20 5 EFBDRO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029458392 724353567 /nfs/dbraw/zinc/35/35/67/724353567.db2.gz OEKLXDRTUKXLHG-CALCHBBNSA-N 1 0 343.427 2.960 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)CCC1 ZINC000984555792 724356002 /nfs/dbraw/zinc/35/60/02/724356002.db2.gz ZFBIYOOTGKBDIU-AULYBMBSSA-N 1 0 337.445 2.831 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000925240639 725031242 /nfs/dbraw/zinc/03/12/42/725031242.db2.gz RAJOOYWAPCHVPX-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC001059779491 725604412 /nfs/dbraw/zinc/60/44/12/725604412.db2.gz OACMDGYQBHMBOU-OKILXGFUSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000913936294 725957319 /nfs/dbraw/zinc/95/73/19/725957319.db2.gz LRHSZCMQDABRLY-CQSZACIVSA-N 1 0 334.420 2.831 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914076443 726027135 /nfs/dbraw/zinc/02/71/35/726027135.db2.gz YIHBLOLHPDVJIY-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914081325 726029795 /nfs/dbraw/zinc/02/97/95/726029795.db2.gz UJNDMQAKBVIEHO-UONOGXRCSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000914081326 726029894 /nfs/dbraw/zinc/02/98/94/726029894.db2.gz UJNDMQAKBVIEHO-ZIAGYGMSSA-N 1 0 334.420 2.829 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152699335 726220425 /nfs/dbraw/zinc/22/04/25/726220425.db2.gz YCJHDXWBQKYELL-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285740 726227058 /nfs/dbraw/zinc/22/70/58/726227058.db2.gz LJMMVAHAKIHMKW-MJBXVCDLSA-N 1 0 348.447 2.582 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1 ZINC000907606791 726975213 /nfs/dbraw/zinc/97/52/13/726975213.db2.gz MYFJORCWDFITJM-UHFFFAOYSA-N 1 0 329.759 2.601 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907924685 727055189 /nfs/dbraw/zinc/05/51/89/727055189.db2.gz KHDRZCYFPVFPSY-NSHDSACASA-N 1 0 343.786 2.944 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732568461 727158558 /nfs/dbraw/zinc/15/85/58/727158558.db2.gz UUDIRBMXQMXWFU-CYBMUJFWSA-N 1 0 346.431 2.629 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732578126 727163692 /nfs/dbraw/zinc/16/36/92/727163692.db2.gz HHVQKXFUYCUQIU-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908415730 727181957 /nfs/dbraw/zinc/18/19/57/727181957.db2.gz XAIPGORRNBEZMF-LDYMZIIASA-N 1 0 329.759 2.552 20 5 EFBDRO CNc1ccc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000908576348 727220095 /nfs/dbraw/zinc/22/00/95/727220095.db2.gz IOBAKVLVLGAVSJ-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000909261710 727354304 /nfs/dbraw/zinc/35/43/04/727354304.db2.gz LQMILRGRCPGANQ-SNVBAGLBSA-N 1 0 343.786 2.944 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910278964 727426677 /nfs/dbraw/zinc/42/66/77/727426677.db2.gz HSTOGKMVMQKVOZ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910284217 727427252 /nfs/dbraw/zinc/42/72/52/727427252.db2.gz OKPKEXFWTYLJPW-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000910289272 727428107 /nfs/dbraw/zinc/42/81/07/727428107.db2.gz OYSCEHCMTFNWEQ-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000910295128 727431042 /nfs/dbraw/zinc/43/10/42/727431042.db2.gz XKMGPZVSCPJGRO-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO [NH3+][C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000911769700 727596149 /nfs/dbraw/zinc/59/61/49/727596149.db2.gz XXIAAXGAGJFUBB-IXDOHACOSA-N 1 0 325.368 2.515 20 5 EFBDRO [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000911769698 727596153 /nfs/dbraw/zinc/59/61/53/727596153.db2.gz XXIAAXGAGJFUBB-BRWVUGGUSA-N 1 0 325.368 2.515 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911811014 727602764 /nfs/dbraw/zinc/60/27/64/727602764.db2.gz PFCYSBZLNHLANY-MSOLQXFVSA-N 1 0 337.379 2.983 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000916023349 727648834 /nfs/dbraw/zinc/64/88/34/727648834.db2.gz OBKFCHTVLFNGSR-HNNXBMFYSA-N 1 0 334.445 2.852 20 5 EFBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912149985 727664542 /nfs/dbraw/zinc/66/45/42/727664542.db2.gz HMMBTQULXSWQTG-HZMBPMFUSA-N 1 0 327.812 2.970 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000912151615 727664787 /nfs/dbraw/zinc/66/47/87/727664787.db2.gz ZDEVKHMZUNBFNZ-CYBMUJFWSA-N 1 0 327.812 2.970 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929922709 727668227 /nfs/dbraw/zinc/66/82/27/727668227.db2.gz KJGJWYNERGRLRR-KGLIPLIRSA-N 1 0 327.425 2.517 20 5 EFBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000916570750 727697310 /nfs/dbraw/zinc/69/73/10/727697310.db2.gz RSSJLGXZBSJFJS-OAHLLOKOSA-N 1 0 349.774 2.510 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733166043 727709213 /nfs/dbraw/zinc/70/92/13/727709213.db2.gz NYBYDJAUQIXXQZ-LBPRGKRZSA-N 1 0 325.434 2.633 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000733169113 727709845 /nfs/dbraw/zinc/70/98/45/727709845.db2.gz ZSNFOGRUEWHGDB-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000912578220 727726928 /nfs/dbraw/zinc/72/69/28/727726928.db2.gz RFUNRLPKJPSAOZ-UHFFFAOYSA-N 1 0 335.404 2.694 20 5 EFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603416 727729629 /nfs/dbraw/zinc/72/96/29/727729629.db2.gz ZOHCINHQXPRQJH-STQMWFEESA-N 1 0 337.807 2.851 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912813114 727746662 /nfs/dbraw/zinc/74/66/62/727746662.db2.gz FWWSNTJOSABAIC-PBHICJAKSA-N 1 0 349.431 2.552 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000912813613 727748376 /nfs/dbraw/zinc/74/83/76/727748376.db2.gz LWLCXIJNPCXNQE-DGCLKSJQSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000912815389 727748858 /nfs/dbraw/zinc/74/88/58/727748858.db2.gz LARMTLBEDSJANC-PBHICJAKSA-N 1 0 333.432 2.716 20 5 EFBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912815161 727748875 /nfs/dbraw/zinc/74/88/75/727748875.db2.gz IKFIAJRRYOYVIF-CZUORRHYSA-N 1 0 348.447 2.829 20 5 EFBDRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816126 727749006 /nfs/dbraw/zinc/74/90/06/727749006.db2.gz VGIPPWXNIVAXQA-DZGCQCFKSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816127 727749047 /nfs/dbraw/zinc/74/90/47/727749047.db2.gz VGIPPWXNIVAXQA-HIFRSBDPSA-N 1 0 349.431 2.796 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000916966966 727750928 /nfs/dbraw/zinc/75/09/28/727750928.db2.gz IQRLBJMRXPPICU-CVEARBPZSA-N 1 0 336.775 2.605 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917074413 727763419 /nfs/dbraw/zinc/76/34/19/727763419.db2.gz LJRRVTSOULOGOT-RYUDHWBXSA-N 1 0 333.392 2.911 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000055035532 727899383 /nfs/dbraw/zinc/89/93/83/727899383.db2.gz SAEXCPRXWRKCIY-UHFFFAOYSA-N 1 0 345.447 2.956 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164254548 727922869 /nfs/dbraw/zinc/92/28/69/727922869.db2.gz IYGGVTNOJJMNEA-WFASDCNBSA-N 1 0 335.379 2.599 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)co1 ZINC000991679588 728257397 /nfs/dbraw/zinc/25/73/97/728257397.db2.gz NGOHFEKIPRERCV-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158067121 728279787 /nfs/dbraw/zinc/27/97/87/728279787.db2.gz YLLILKCJCOYUPZ-WCQYABFASA-N 1 0 346.412 2.576 20 5 EFBDRO COCC[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061002529 728463046 /nfs/dbraw/zinc/46/30/46/728463046.db2.gz MEXACJAEYMNHSI-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957644 728612052 /nfs/dbraw/zinc/61/20/52/728612052.db2.gz BJUTVMHVSWRQJC-OAHLLOKOSA-N 1 0 343.431 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957650 728612282 /nfs/dbraw/zinc/61/22/82/728612282.db2.gz BJUTVMHVSWRQJC-HNNXBMFYSA-N 1 0 343.431 2.710 20 5 EFBDRO Cc1nn(CN2CC[C@@H](COCc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000172970987 728613249 /nfs/dbraw/zinc/61/32/49/728613249.db2.gz FUHWFOCHOLPDEQ-QGZVFWFLSA-N 1 0 344.415 2.904 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000173458204 728625847 /nfs/dbraw/zinc/62/58/47/728625847.db2.gz WDRXWXCBCBHQFO-LLVKDONJSA-N 1 0 344.327 2.792 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CCN(Cn3cc[nH]c3=S)CC2)cc1 ZINC000173435031 728626499 /nfs/dbraw/zinc/62/64/99/728626499.db2.gz BYFWIQMJHJALQR-UHFFFAOYSA-N 1 0 334.401 2.955 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173450114 728626971 /nfs/dbraw/zinc/62/69/71/728626971.db2.gz GUYKGXUKIRHWHG-CQSZACIVSA-N 1 0 331.420 2.566 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000063535266 728630416 /nfs/dbraw/zinc/63/04/16/728630416.db2.gz AZPRHABPHBKSSZ-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000919221779 728988100 /nfs/dbraw/zinc/98/81/00/728988100.db2.gz VOHUUJFJBATUHT-GFCCVEGCSA-N 1 0 337.332 2.534 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000919965130 729119184 /nfs/dbraw/zinc/11/91/84/729119184.db2.gz PEBOWOKPIJTKDT-UTUOFQBUSA-N 1 0 333.392 2.909 20 5 EFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCC[NH+](C)C ZINC000920817714 729234112 /nfs/dbraw/zinc/23/41/12/729234112.db2.gz UBAMRQDQEKUKTG-JTQLQIEISA-N 1 0 330.768 2.510 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921330258 729289507 /nfs/dbraw/zinc/28/95/07/729289507.db2.gz FXGLPMXIHFADSN-XPKDYRNWSA-N 1 0 334.420 2.828 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000068548490 729718876 /nfs/dbraw/zinc/71/88/76/729718876.db2.gz QPWBVAMLAVOGIB-CQSZACIVSA-N 1 0 348.447 2.870 20 5 EFBDRO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598476636 992088655 /nfs/dbraw/zinc/08/86/55/992088655.db2.gz LBKFIMJAYFRDIT-UHFFFAOYSA-N 1 0 349.431 2.991 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000873191044 1126118565 /nfs/dbraw/zinc/11/85/65/1126118565.db2.gz ONUNMNPQGRSQQS-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931602728 1126136151 /nfs/dbraw/zinc/13/61/51/1126136151.db2.gz HNYGSUBWLRZZGL-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931604231 1126136840 /nfs/dbraw/zinc/13/68/40/1126136840.db2.gz VVAUCJFVPZOUDF-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116329 1088251245 /nfs/dbraw/zinc/25/12/45/1088251245.db2.gz RTZWEZBMSWEBBM-INIZCTEOSA-N 1 0 336.392 2.700 20 5 EFBDRO CC(C)([NH3+])c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001575365956 1088416736 /nfs/dbraw/zinc/41/67/36/1088416736.db2.gz RXFUGRGVPPZDBT-UHFFFAOYSA-N 1 0 329.356 2.806 20 5 EFBDRO CC(C)c1csc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001575868244 1088743568 /nfs/dbraw/zinc/74/35/68/1088743568.db2.gz QUYDUJHZMFVHDZ-INIZCTEOSA-N 1 0 348.428 2.665 20 5 EFBDRO CC(C)c1csc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001575868245 1088745134 /nfs/dbraw/zinc/74/51/34/1088745134.db2.gz QUYDUJHZMFVHDZ-MRXNPFEDSA-N 1 0 348.428 2.665 20 5 EFBDRO C[C@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001576023614 1088860673 /nfs/dbraw/zinc/86/06/73/1088860673.db2.gz QNXSYRDQQDMMSI-KGLIPLIRSA-N 1 0 348.447 2.776 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001576371395 1089155071 /nfs/dbraw/zinc/15/50/71/1089155071.db2.gz KVECSDGDCLBOTR-VNQPRFMTSA-N 1 0 331.416 2.674 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001576388788 1089175271 /nfs/dbraw/zinc/17/52/71/1089175271.db2.gz CGUQYNOZLXOPPN-KMUNFCNLSA-N 1 0 327.388 2.727 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001576469661 1089276259 /nfs/dbraw/zinc/27/62/59/1089276259.db2.gz RPEAYVNVLSLDEY-KRWDZBQOSA-N 1 0 349.406 2.513 20 5 EFBDRO C[C@@]1(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCC[NH2+]C1 ZINC001576526658 1089308909 /nfs/dbraw/zinc/30/89/09/1089308909.db2.gz WGTMIMICDIIQJN-OAHLLOKOSA-N 1 0 335.795 2.993 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001576531565 1089315027 /nfs/dbraw/zinc/31/50/27/1089315027.db2.gz UGPHCWNXUZDDOA-YOEHRIQHSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@]1(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[NH2+]C1 ZINC001576541701 1089319586 /nfs/dbraw/zinc/31/95/86/1089319586.db2.gz MRJVWKXHLYGLLV-LBPRGKRZSA-N 1 0 336.150 2.523 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC001576596570 1089344837 /nfs/dbraw/zinc/34/48/37/1089344837.db2.gz YTWBAIYAVAIFNY-UPJWGTAASA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001576681944 1089392747 /nfs/dbraw/zinc/39/27/47/1089392747.db2.gz QHQCDDIHYZRGJT-GMLZMKKNSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001576910752 1089523538 /nfs/dbraw/zinc/52/35/38/1089523538.db2.gz WACKGEITHBZFDS-CABZTGNLSA-N 1 0 349.412 2.652 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001577096169 1089650165 /nfs/dbraw/zinc/65/01/65/1089650165.db2.gz HHSZFCVRQJSYTI-WBVHZDCISA-N 1 0 345.443 2.954 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001577096166 1089650801 /nfs/dbraw/zinc/65/08/01/1089650801.db2.gz HHSZFCVRQJSYTI-DOTOQJQBSA-N 1 0 345.443 2.954 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001577096494 1089650864 /nfs/dbraw/zinc/65/08/64/1089650864.db2.gz OQKCLFAHIGGNJA-RVKKMQEKSA-N 1 0 331.416 2.503 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001577096599 1089652058 /nfs/dbraw/zinc/65/20/58/1089652058.db2.gz RZBVYFRXSVZACR-OIISXLGYSA-N 1 0 331.416 2.516 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001577096538 1089652107 /nfs/dbraw/zinc/65/21/07/1089652107.db2.gz QAEBMBSXRYCLAI-FVQBIDKESA-N 1 0 333.432 2.525 20 5 EFBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001577124751 1089673370 /nfs/dbraw/zinc/67/33/70/1089673370.db2.gz OULBEUDKFNKNIH-CQSZACIVSA-N 1 0 343.383 2.641 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC001577492336 1090006085 /nfs/dbraw/zinc/00/60/85/1090006085.db2.gz PYDJKMYRAPLSQZ-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001577597369 1090071305 /nfs/dbraw/zinc/07/13/05/1090071305.db2.gz ZMLSYLOFRSEQFW-GFCCVEGCSA-N 1 0 337.445 2.908 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577596996 1090072204 /nfs/dbraw/zinc/07/22/04/1090072204.db2.gz ORZHGKXYLGAAPR-NEPJUHHUSA-N 1 0 337.445 2.967 20 5 EFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH3+])C(C)C ZINC001577745483 1090163570 /nfs/dbraw/zinc/16/35/70/1090163570.db2.gz JXWIOKPSLUOMMQ-ZDUSSCGKSA-N 1 0 346.435 2.683 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC23CC[NH2+]CC3)cc1C ZINC001578056848 1090240604 /nfs/dbraw/zinc/24/06/04/1090240604.db2.gz ZYOXMLSAYDULTK-HNNXBMFYSA-N 1 0 333.388 2.634 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001578171817 1090288515 /nfs/dbraw/zinc/28/85/15/1090288515.db2.gz WPKILYXPUSBMES-KSSFIOAISA-N 1 0 347.415 2.585 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001578224212 1090313227 /nfs/dbraw/zinc/31/32/27/1090313227.db2.gz NUKVKHQAJYEPEF-BZUAXINKSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@@H](NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC001578225522 1090313355 /nfs/dbraw/zinc/31/33/55/1090313355.db2.gz FNAPKVLZIZULEE-INMHGKMJSA-N 1 0 332.404 2.630 20 5 EFBDRO CC[C@@H](NC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578224305 1090313404 /nfs/dbraw/zinc/31/34/04/1090313404.db2.gz RBODPKKAUSTUQU-UNEWFSDZSA-N 1 0 332.404 2.569 20 5 EFBDRO CCc1cc(N[C@H](C[NH3+])CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578248872 1090317571 /nfs/dbraw/zinc/31/75/71/1090317571.db2.gz CCLHRMCINXZHEW-HNNXBMFYSA-N 1 0 343.431 2.821 20 5 EFBDRO CCc1cc(NC[C@@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578249284 1090317950 /nfs/dbraw/zinc/31/79/50/1090317950.db2.gz XTJUXZNUGMHPET-HNNXBMFYSA-N 1 0 341.415 2.590 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001578275759 1090327956 /nfs/dbraw/zinc/32/79/56/1090327956.db2.gz YPMKJYSIXARSCQ-OAHLLOKOSA-N 1 0 345.399 2.661 20 5 EFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC001578389635 1090359372 /nfs/dbraw/zinc/35/93/72/1090359372.db2.gz WQYCUSIKXCHBRA-UHFFFAOYSA-N 1 0 329.759 2.729 20 5 EFBDRO CN(CCC[NH3+])C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001578466782 1090379725 /nfs/dbraw/zinc/37/97/25/1090379725.db2.gz WKIYALNTDUSQPL-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001578738077 1090430401 /nfs/dbraw/zinc/43/04/01/1090430401.db2.gz YIWCEQOMMZBHRJ-GFCCVEGCSA-N 1 0 343.387 2.749 20 5 EFBDRO COC(=O)c1cc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001578860148 1090456123 /nfs/dbraw/zinc/45/61/23/1090456123.db2.gz WSPPJXYCBBFBGH-SNVBAGLBSA-N 1 0 343.339 2.653 20 5 EFBDRO COc1ccc(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001579228519 1090552101 /nfs/dbraw/zinc/55/21/01/1090552101.db2.gz PMYNYGIYFQZNNU-LLVKDONJSA-N 1 0 336.392 2.503 20 5 EFBDRO COc1ccc(NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001579228520 1090552189 /nfs/dbraw/zinc/55/21/89/1090552189.db2.gz PMYNYGIYFQZNNU-NSHDSACASA-N 1 0 336.392 2.503 20 5 EFBDRO COc1ccc(NC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001579229298 1090552278 /nfs/dbraw/zinc/55/22/78/1090552278.db2.gz UJEYBTBESYFRSQ-GFCCVEGCSA-N 1 0 348.403 2.599 20 5 EFBDRO COc1ccc([C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1 ZINC001579240053 1090556469 /nfs/dbraw/zinc/55/64/69/1090556469.db2.gz OBMFOEILSFLTKA-RBUKOAKNSA-N 1 0 341.411 2.573 20 5 EFBDRO CSc1cccc(C(=O)N2C[C@H]3CCCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC001579392905 1090604581 /nfs/dbraw/zinc/60/45/81/1090604581.db2.gz GCURKTXADUBXIO-PXAZEXFGSA-N 1 0 349.456 2.908 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1CCC[NH3+] ZINC001579420787 1090609217 /nfs/dbraw/zinc/60/92/17/1090609217.db2.gz FIYFHSZIKWQKGS-QMTHXVAHSA-N 1 0 341.358 2.853 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001579453477 1090615935 /nfs/dbraw/zinc/61/59/35/1090615935.db2.gz GJNWNHCSVXBPPP-RKDXNWHRSA-N 1 0 346.214 2.877 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001579480108 1090620178 /nfs/dbraw/zinc/62/01/78/1090620178.db2.gz BXBLIFIFEYYUHL-UICACZKSSA-N 1 0 331.416 2.940 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+]C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC001579539715 1090629550 /nfs/dbraw/zinc/62/95/50/1090629550.db2.gz JNPQZWIAXONYCS-UHFFFAOYSA-N 1 0 342.193 2.746 20 5 EFBDRO Cc1cc(C[NH3+])cc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC001579595636 1090639181 /nfs/dbraw/zinc/63/91/81/1090639181.db2.gz HPJHZOADAKJPHK-UHFFFAOYSA-N 1 0 335.385 2.509 20 5 EFBDRO Cc1cc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001579631267 1090646940 /nfs/dbraw/zinc/64/69/40/1090646940.db2.gz LEMTXEZZBKXYBY-QGZVFWFLSA-N 1 0 340.383 2.912 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(CN)CCCC[C@H]1C ZINC001579642338 1090648708 /nfs/dbraw/zinc/64/87/08/1090648708.db2.gz AMJCRKMGVBFIIL-RDTXWAMCSA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1Cl ZINC001579642374 1090648716 /nfs/dbraw/zinc/64/87/16/1090648716.db2.gz CLOPEDQYDCNYND-UHFFFAOYSA-N 1 0 346.774 2.850 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1Cl ZINC001579642344 1090648739 /nfs/dbraw/zinc/64/87/39/1090648739.db2.gz AXBWYLJXJVEIRE-PJCOJXEDSA-N 1 0 325.796 2.673 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1Cl ZINC001579642504 1090649531 /nfs/dbraw/zinc/64/95/31/1090649531.db2.gz IRWOXCHLSCVTGD-GDBMZVCRSA-N 1 0 345.786 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001579733761 1090673697 /nfs/dbraw/zinc/67/36/97/1090673697.db2.gz BLADHYVXTNQWIN-OAHLLOKOSA-N 1 0 338.367 2.893 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001580206038 1090809613 /nfs/dbraw/zinc/80/96/13/1090809613.db2.gz BNCBOPIKOMKPAF-LBPRGKRZSA-N 1 0 331.759 2.778 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580206512 1090810726 /nfs/dbraw/zinc/81/07/26/1090810726.db2.gz HLTIGBYKAMRONC-CYBMUJFWSA-N 1 0 345.786 2.707 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001580206890 1090811001 /nfs/dbraw/zinc/81/10/01/1090811001.db2.gz NJSMNVWBGUAPIL-CYBMUJFWSA-N 1 0 337.335 2.871 20 5 EFBDRO Nc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001580227832 1090819492 /nfs/dbraw/zinc/81/94/92/1090819492.db2.gz BZHNFUJCMCQCAY-HNNXBMFYSA-N 1 0 342.399 2.578 20 5 EFBDRO [NH3+]C[C@@]12CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]1CCCC2 ZINC001580253748 1090834105 /nfs/dbraw/zinc/83/41/05/1090834105.db2.gz RLFMVQNAHFCNGS-ACJLOTCBSA-N 1 0 343.383 2.932 20 5 EFBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001580430677 1090896343 /nfs/dbraw/zinc/89/63/43/1090896343.db2.gz VATLEAQZBKVFCU-HAQNSBGRSA-N 1 0 327.340 2.607 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001580440931 1090900537 /nfs/dbraw/zinc/90/05/37/1090900537.db2.gz AFMVLSKPCLRHCR-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001580522131 1090931607 /nfs/dbraw/zinc/93/16/07/1090931607.db2.gz DJLUSUDWFIYLDL-SECBINFHSA-N 1 0 349.334 2.647 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001580761654 1090999471 /nfs/dbraw/zinc/99/94/71/1090999471.db2.gz VPGRFYDHZKDFGV-QWRGUYRKSA-N 1 0 341.314 2.665 20 5 EFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C12CCC(CC1)[NH2+]2 ZINC001580764034 1090999850 /nfs/dbraw/zinc/99/98/50/1090999850.db2.gz VHMYFNDQSWGAHH-UHFFFAOYSA-N 1 0 340.177 2.580 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001580767225 1091002365 /nfs/dbraw/zinc/00/23/65/1091002365.db2.gz XUVWJLWOASHVTA-UHFFFAOYSA-N 1 0 336.367 2.731 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001580811579 1091016392 /nfs/dbraw/zinc/01/63/92/1091016392.db2.gz QWFMMBWKFQIPHX-OAHLLOKOSA-N 1 0 341.770 2.746 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C1CCC1)C1C[NH2+]C1 ZINC001580816416 1091018293 /nfs/dbraw/zinc/01/82/93/1091018293.db2.gz VSRCGUZSZNSQFH-UHFFFAOYSA-N 1 0 343.305 2.580 20 5 EFBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1C[NH2+]CCC1(F)F ZINC001580875148 1091030748 /nfs/dbraw/zinc/03/07/48/1091030748.db2.gz BAVBQGKCBKGTCU-LBPRGKRZSA-N 1 0 342.733 2.627 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(N2CCOC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001580875041 1091031136 /nfs/dbraw/zinc/03/11/36/1091031136.db2.gz VKDRIUNFLIBPBM-UHFFFAOYSA-N 1 0 346.214 2.860 20 5 EFBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104395967 1092393532 /nfs/dbraw/zinc/39/35/32/1092393532.db2.gz LNCFUQKVUVDQNQ-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO Cc1nc(-n2cccc2C[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001167596194 1092984339 /nfs/dbraw/zinc/98/43/39/1092984339.db2.gz VSDCZMYEDYSOKE-UHFFFAOYSA-N 1 0 325.166 2.619 20 5 EFBDRO CC(C)(C)C1=CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001589097190 1093029258 /nfs/dbraw/zinc/02/92/58/1093029258.db2.gz WPDGSVQJYBSEKQ-UHFFFAOYSA-N 1 0 342.403 2.953 20 5 EFBDRO CC(C)C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589573742 1093110534 /nfs/dbraw/zinc/11/05/34/1093110534.db2.gz ZSSHLUHWMRJCSK-LBPRGKRZSA-N 1 0 330.392 2.643 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC001167620054 1093122253 /nfs/dbraw/zinc/12/22/53/1093122253.db2.gz ONFQAXWFZSZLEG-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CCC1 ZINC001589701726 1093127851 /nfs/dbraw/zinc/12/78/51/1093127851.db2.gz WSHUZFQFXVUIST-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO O=[N+]([O-])c1cccc(CN(CCCO)C2CC2)c1Br ZINC000404245484 1093202701 /nfs/dbraw/zinc/20/27/01/1093202701.db2.gz UKKKOIGRENIXND-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590352614 1093388303 /nfs/dbraw/zinc/38/83/03/1093388303.db2.gz CGTKBQHKYAHABI-IBUXWKBASA-N 1 0 342.403 2.953 20 5 EFBDRO CCC(CC)[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432720 1093419765 /nfs/dbraw/zinc/41/97/65/1093419765.db2.gz LPNYVJQELDUFNE-AWEZNQCLSA-N 1 0 347.423 2.553 20 5 EFBDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590489202 1093450403 /nfs/dbraw/zinc/45/04/03/1093450403.db2.gz BHNUIGNOPGBOGQ-MRXNPFEDSA-N 1 0 330.392 2.787 20 5 EFBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590510188 1093464819 /nfs/dbraw/zinc/46/48/19/1093464819.db2.gz FNNRTRHLHASGDR-SMDDNHRTSA-N 1 0 330.392 2.833 20 5 EFBDRO CCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590572506 1093495227 /nfs/dbraw/zinc/49/52/27/1093495227.db2.gz PQWKYBHOBIGGOX-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591735588 1093849560 /nfs/dbraw/zinc/84/95/60/1093849560.db2.gz XSJPLCMZCOHHQG-VXGBXAGGSA-N 1 0 330.392 2.643 20 5 EFBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC001592243818 1094044233 /nfs/dbraw/zinc/04/42/33/1094044233.db2.gz JPMNCRFESASFEK-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO COC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000782947906 1094542843 /nfs/dbraw/zinc/54/28/43/1094542843.db2.gz OJQXZHYGUHFADT-GFCCVEGCSA-N 1 0 344.371 2.516 20 5 EFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218423652 1094639327 /nfs/dbraw/zinc/63/93/27/1094639327.db2.gz LVXYZENGAVPDQC-GMSGAONNSA-N 1 0 333.157 2.873 20 5 EFBDRO C[N@H+](C[C@H]1CCCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000107670139 1095613429 /nfs/dbraw/zinc/61/34/29/1095613429.db2.gz CXZBZUGCEIXYLP-CQSZACIVSA-N 1 0 330.388 2.774 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000893664737 1095680400 /nfs/dbraw/zinc/68/04/00/1095680400.db2.gz DFUNTCIQQYXPDC-KRWDZBQOSA-N 1 0 329.404 2.652 20 5 EFBDRO C[NH2+]CCNc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001167724483 1095680984 /nfs/dbraw/zinc/68/09/84/1095680984.db2.gz QGHVXFIPUZXFLR-UHFFFAOYSA-N 1 0 341.293 2.702 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310241209 1095785289 /nfs/dbraw/zinc/78/52/89/1095785289.db2.gz BQAFBJDGNXHCMJ-QGZVFWFLSA-N 1 0 329.404 2.652 20 5 EFBDRO [NH3+]Cc1nn(-c2nccc(Br)c2[N+](=O)[O-])c2ccccc12 ZINC001167699807 1096009099 /nfs/dbraw/zinc/00/90/99/1096009099.db2.gz AYECFHYHNNQSSS-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001603728422 1096604757 /nfs/dbraw/zinc/60/47/57/1096604757.db2.gz BUUJBQWCAHWDHQ-GFCCVEGCSA-N 1 0 338.371 2.968 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603936557 1096674027 /nfs/dbraw/zinc/67/40/27/1096674027.db2.gz SSAVQBVEZWHUTJ-NSHDSACASA-N 1 0 330.392 2.643 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+](C)C ZINC001604023465 1096703105 /nfs/dbraw/zinc/70/31/05/1096703105.db2.gz RFRVTCQWNSECKK-OAHLLOKOSA-N 1 0 347.423 2.553 20 5 EFBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1-c1nn[nH]n1 ZINC001605660993 1097181644 /nfs/dbraw/zinc/18/16/44/1097181644.db2.gz KCYSYYDHQLOXNY-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001605828613 1097241412 /nfs/dbraw/zinc/24/14/12/1097241412.db2.gz VLDFQEFTLCHBDC-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH2+]C1(C2CCCCC2)CC1 ZINC001607078702 1097507177 /nfs/dbraw/zinc/50/71/77/1097507177.db2.gz CMERVGSLPZFBHM-UHFFFAOYSA-N 1 0 342.403 2.977 20 5 EFBDRO C[N@@H+]1CCC2(CN(C(=O)c3cccc4nc5ccccc5nc43)C2)C1 ZINC001269505041 1098193353 /nfs/dbraw/zinc/19/33/53/1098193353.db2.gz UUARXBODKPNSHC-UHFFFAOYSA-N 1 0 332.407 2.561 20 5 EFBDRO COc1c(F)cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1[N+](=O)[O-] ZINC001167985930 1099531427 /nfs/dbraw/zinc/53/14/27/1099531427.db2.gz MTKYQRJMIMTRHF-UHFFFAOYSA-N 1 0 345.330 2.893 20 5 EFBDRO C[NH+]1CC2(C1)CCCN(C(=O)c1cc3cccnc3c3ncccc13)C2 ZINC001271061414 1100432922 /nfs/dbraw/zinc/43/29/22/1100432922.db2.gz NORNTEDJULDJAG-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000840254372 1100951263 /nfs/dbraw/zinc/95/12/63/1100951263.db2.gz XAESZONIVHNIHC-JTQLQIEISA-N 1 0 332.326 2.787 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C(=O)OC)C1CCOCC1 ZINC001167395222 1101436123 /nfs/dbraw/zinc/43/61/23/1101436123.db2.gz BKPJCFFYAOQBJA-GOSISDBHSA-N 1 0 335.468 2.663 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c1C ZINC001167098570 1101649765 /nfs/dbraw/zinc/64/97/65/1101649765.db2.gz PTLKJLNLLMNRPV-UHFFFAOYSA-N 1 0 330.175 2.819 20 5 EFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000783595181 1102370434 /nfs/dbraw/zinc/37/04/34/1102370434.db2.gz KBXYSOKFPYJDJM-ZDUSSCGKSA-N 1 0 332.791 2.994 20 5 EFBDRO CCOC(=O)c1cc(-n2ccc3cc(C[NH3+])cnc32)ccc1[N+](=O)[O-] ZINC001167316433 1102550857 /nfs/dbraw/zinc/55/08/57/1102550857.db2.gz VNSDAGPLZUKFKZ-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000840974689 1102639656 /nfs/dbraw/zinc/63/96/56/1102639656.db2.gz FFKHQHURSXBIDA-UHFFFAOYSA-N 1 0 346.836 2.553 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1COc1cccc(N2CC[NH2+]CC2)c1 ZINC000905612769 1103415034 /nfs/dbraw/zinc/41/50/34/1103415034.db2.gz QNHMYAHPYKAXBD-UHFFFAOYSA-N 1 0 331.347 2.723 20 5 EFBDRO O=[N+]([O-])c1ccc(CCOc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000905614480 1103416513 /nfs/dbraw/zinc/41/65/13/1103416513.db2.gz ZFQHTSIJMXYIGH-UHFFFAOYSA-N 1 0 327.384 2.626 20 5 EFBDRO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000905643683 1103461430 /nfs/dbraw/zinc/46/14/30/1103461430.db2.gz ZHUPYNLPWNSFAE-GFCCVEGCSA-N 1 0 338.477 2.708 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOc2cccc(F)c2)cc1 ZINC000905706874 1103517767 /nfs/dbraw/zinc/51/77/67/1103517767.db2.gz WIGAODCYQYTWTD-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000905984382 1103792094 /nfs/dbraw/zinc/79/20/94/1103792094.db2.gz LYAKHNVSEDGPEU-UTUOFQBUSA-N 1 0 337.445 2.870 20 5 EFBDRO COC(=O)c1cc(-c2cncc([C@H]3CCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000906171932 1103977360 /nfs/dbraw/zinc/97/73/60/1103977360.db2.gz LEANSRXSNYJXDI-MRXNPFEDSA-N 1 0 327.340 2.868 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cn(C4CC4)nn3)C2)cc1 ZINC000906306180 1104103406 /nfs/dbraw/zinc/10/34/06/1104103406.db2.gz ZXEQEIKOLUQBJX-CQSZACIVSA-N 1 0 327.388 2.901 20 5 EFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906632543 1104412275 /nfs/dbraw/zinc/41/22/75/1104412275.db2.gz AGDFJQUNRSSUNR-YESZJQIVSA-N 1 0 337.379 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1C ZINC000897866347 1106122937 /nfs/dbraw/zinc/12/29/37/1106122937.db2.gz XBSWCUWVHBDBFL-GFCCVEGCSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000843791888 1106211100 /nfs/dbraw/zinc/21/11/00/1106211100.db2.gz PLOUXYKREXATOW-CYBMUJFWSA-N 1 0 335.379 2.743 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000898256321 1106307566 /nfs/dbraw/zinc/30/75/66/1106307566.db2.gz VUYDFMNASGMFCK-ZDUSSCGKSA-N 1 0 342.399 2.848 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000898321304 1106308625 /nfs/dbraw/zinc/30/86/25/1106308625.db2.gz QDCXWZQWOGSCGF-OAHLLOKOSA-N 1 0 329.356 2.945 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000843797430 1106313014 /nfs/dbraw/zinc/31/30/14/1106313014.db2.gz VDXWVRUNXFXVIX-GFCCVEGCSA-N 1 0 325.384 2.748 20 5 EFBDRO O=C(C1CCCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989849184 1106713429 /nfs/dbraw/zinc/71/34/29/1106713429.db2.gz FJPAPWYJBRTESG-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO COC(=O)c1cc(F)c(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001233731418 1108183204 /nfs/dbraw/zinc/18/32/04/1108183204.db2.gz XUJBPNSMUCYJFU-SECBINFHSA-N 1 0 349.220 2.848 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990611863 1108378459 /nfs/dbraw/zinc/37/84/59/1108378459.db2.gz PTSOWKIPWPRRLT-SREVYHEPSA-N 1 0 329.400 2.642 20 5 EFBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000905204996 1108514786 /nfs/dbraw/zinc/51/47/86/1108514786.db2.gz RLGMJGKJVSHAFH-UHFFFAOYSA-N 1 0 332.231 2.824 20 5 EFBDRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]CC[N+](=O)[O-] ZINC000905218814 1108528271 /nfs/dbraw/zinc/52/82/71/1108528271.db2.gz JGHYCIOROULXAT-AWEZNQCLSA-N 1 0 345.237 2.653 20 5 EFBDRO Cc1sccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126833714 1108700639 /nfs/dbraw/zinc/70/06/39/1108700639.db2.gz BDLXBXCATFDVOK-UHFFFAOYSA-N 1 0 325.415 2.546 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898592897 1109024863 /nfs/dbraw/zinc/02/48/63/1109024863.db2.gz RLWBAYJKZZJEEP-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1C[C@H](C[NH3+])CO ZINC000899324381 1109283611 /nfs/dbraw/zinc/28/36/11/1109283611.db2.gz LPOZRABASRNRMY-CYBMUJFWSA-N 1 0 330.384 2.689 20 5 EFBDRO COC(=O)c1cc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)cc([N+](=O)[O-])c1 ZINC000899320240 1109287872 /nfs/dbraw/zinc/28/78/72/1109287872.db2.gz WHJFXBBLXROVKQ-MRXNPFEDSA-N 1 0 326.352 2.864 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000843806941 1109448492 /nfs/dbraw/zinc/44/84/92/1109448492.db2.gz SEAPINQSBJELEP-AWEZNQCLSA-N 1 0 349.406 2.990 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000843808371 1109449152 /nfs/dbraw/zinc/44/91/52/1109449152.db2.gz POKPSJABJOZCAK-ZDUSSCGKSA-N 1 0 337.395 2.989 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000843808370 1109449246 /nfs/dbraw/zinc/44/92/46/1109449246.db2.gz POKPSJABJOZCAK-CYBMUJFWSA-N 1 0 337.395 2.989 20 5 EFBDRO Cc1c(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000899936310 1109555724 /nfs/dbraw/zinc/55/57/24/1109555724.db2.gz RSIXXELUDANWJQ-UHFFFAOYSA-N 1 0 347.415 2.733 20 5 EFBDRO CC(C)=C(F)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990993186 1110102387 /nfs/dbraw/zinc/10/23/87/1110102387.db2.gz KMSDYAKQLIABME-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N(CC)CCNc1ccccc1[N+](=O)[O-] ZINC001106809369 1111867317 /nfs/dbraw/zinc/86/73/17/1111867317.db2.gz MSGKSHOCISBCJK-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300185730 1111869201 /nfs/dbraw/zinc/86/92/01/1111869201.db2.gz QNCSRJDWYMNZSW-WDEREUQCSA-N 1 0 341.209 2.791 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001106979511 1118976992 /nfs/dbraw/zinc/97/69/92/1118976992.db2.gz RYKJFWFKGXYDNH-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000112311483 1120078015 /nfs/dbraw/zinc/07/80/15/1120078015.db2.gz PXCNGORHFRDWNY-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050164177 214048005 /nfs/dbraw/zinc/04/80/05/214048005.db2.gz ITHLOUZKIIEIGK-RKDXNWHRSA-N 1 0 329.198 2.552 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000174105181 529406001 /nfs/dbraw/zinc/40/60/01/529406001.db2.gz PSLYXEPUIJSWMM-YSVLISHTSA-N 1 0 346.431 2.924 20 5 EFBDRO CCCC[C@H](C[NH3+])N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297785 282954700 /nfs/dbraw/zinc/95/47/00/282954700.db2.gz LWAPLKMILIUPDP-GDBMZVCRSA-N 1 0 331.420 2.525 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174321135 231177061 /nfs/dbraw/zinc/17/70/61/231177061.db2.gz JCTTYAUNFSWPBE-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056947530 214396052 /nfs/dbraw/zinc/39/60/52/214396052.db2.gz FXTDLSFYPWTLQH-RBSFLKMASA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174464080 231214453 /nfs/dbraw/zinc/21/44/53/231214453.db2.gz CBFCGDQXOACDKS-ZDUSSCGKSA-N 1 0 346.431 2.882 20 5 EFBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000174522070 231229800 /nfs/dbraw/zinc/22/98/00/231229800.db2.gz JXQAQDQCSXKLPR-UHFFFAOYSA-N 1 0 341.367 2.500 20 5 EFBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000174545269 231237674 /nfs/dbraw/zinc/23/76/74/231237674.db2.gz XPUKBZQJXRSAFK-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000174868234 231328736 /nfs/dbraw/zinc/32/87/36/231328736.db2.gz VRGZIQKZCXORFZ-CZUORRHYSA-N 1 0 332.429 2.970 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177549766 282190795 /nfs/dbraw/zinc/19/07/95/282190795.db2.gz TWZOIIVIOGHUGU-VXGBXAGGSA-N 1 0 325.796 2.851 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236810117 534939468 /nfs/dbraw/zinc/93/94/68/534939468.db2.gz WMIUUCAVLHPWAI-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187349559 529871834 /nfs/dbraw/zinc/87/18/34/529871834.db2.gz YAXGBYDMTSPFSW-UHFFFAOYSA-N 1 0 349.431 2.941 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000064904529 214813239 /nfs/dbraw/zinc/81/32/39/214813239.db2.gz LYPPTDPFTUEMCX-ZDUSSCGKSA-N 1 0 336.436 2.877 20 5 EFBDRO C[N@H+](CCOCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154442145 529924285 /nfs/dbraw/zinc/92/42/85/529924285.db2.gz PVNYXUJKCUOWLC-GOSISDBHSA-N 1 0 330.384 2.777 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177505146 231912844 /nfs/dbraw/zinc/91/28/44/231912844.db2.gz CGCDZNGSYLHWLS-STQMWFEESA-N 1 0 339.823 2.780 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000174943279 529954980 /nfs/dbraw/zinc/95/49/80/529954980.db2.gz RAPSURVINJLAHG-HNNXBMFYSA-N 1 0 343.383 2.782 20 5 EFBDRO Cn1cc(C[N@H+](C)[C@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130488086 530014400 /nfs/dbraw/zinc/01/44/00/530014400.db2.gz WNSIWBXMILYRNF-HNNXBMFYSA-N 1 0 332.429 2.933 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158621936 530064711 /nfs/dbraw/zinc/06/47/11/530064711.db2.gz WITPPCQKBLWZOF-WFASDCNBSA-N 1 0 330.388 2.652 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000158622078 530058934 /nfs/dbraw/zinc/05/89/34/530058934.db2.gz WITPPCQKBLWZOF-DOMZBBRYSA-N 1 0 330.388 2.652 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000101627505 219147561 /nfs/dbraw/zinc/14/75/61/219147561.db2.gz QVJIWCPCZSNJCO-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178131295 232090268 /nfs/dbraw/zinc/09/02/68/232090268.db2.gz WVHAXOACYGFXJR-HNNXBMFYSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000178180327 232101735 /nfs/dbraw/zinc/10/17/35/232101735.db2.gz ODCKGSADDHECAC-INIZCTEOSA-N 1 0 342.399 2.518 20 5 EFBDRO O=C(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000178198865 232105481 /nfs/dbraw/zinc/10/54/81/232105481.db2.gz YEHBDQARSBUZBR-QGZVFWFLSA-N 1 0 345.443 2.908 20 5 EFBDRO COc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000101653499 219152241 /nfs/dbraw/zinc/15/22/41/219152241.db2.gz HKLGLFHSILZLSM-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178649255 232335511 /nfs/dbraw/zinc/33/55/11/232335511.db2.gz AMEFNJSPPUEZKS-KGLIPLIRSA-N 1 0 327.384 2.950 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681216 232371611 /nfs/dbraw/zinc/37/16/11/232371611.db2.gz BFUATFYLHUJSOH-JQWIXIFHSA-N 1 0 345.321 2.717 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000066067649 215005807 /nfs/dbraw/zinc/00/58/07/215005807.db2.gz JHSNDPAPEAMVKP-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1c(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000178725697 232414000 /nfs/dbraw/zinc/41/40/00/232414000.db2.gz QNVCVANHAXDKOW-UHFFFAOYSA-N 1 0 345.443 2.923 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000102637284 219216649 /nfs/dbraw/zinc/21/66/49/219216649.db2.gz RVESVMFIFDHDSD-GFCCVEGCSA-N 1 0 337.395 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179499205 233106344 /nfs/dbraw/zinc/10/63/44/233106344.db2.gz HXFOMAGBRPPDFU-CQSZACIVSA-N 1 0 327.388 2.970 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179624658 233246677 /nfs/dbraw/zinc/24/66/77/233246677.db2.gz FNVMIOVVFMCTTB-HWKANZROSA-N 1 0 345.443 2.652 20 5 EFBDRO CN(C(=O)C[NH2+]C1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000179694918 233329127 /nfs/dbraw/zinc/32/91/27/233329127.db2.gz PYSXOKJOWNBZPY-UHFFFAOYSA-N 1 0 343.358 2.976 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179743059 233392319 /nfs/dbraw/zinc/39/23/19/233392319.db2.gz YRGIIGBAKRKLAM-QZTJIDSGSA-N 1 0 330.384 2.732 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068509956 215314374 /nfs/dbraw/zinc/31/43/74/215314374.db2.gz WAJAREQMSDLHTN-INIZCTEOSA-N 1 0 342.399 2.518 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068517328 215315175 /nfs/dbraw/zinc/31/51/75/215315175.db2.gz RBHPRLPUKBJIGD-CYBMUJFWSA-N 1 0 348.447 2.727 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000181356037 234161139 /nfs/dbraw/zinc/16/11/39/234161139.db2.gz HZZVCJVEVIAGJX-MSOLQXFVSA-N 1 0 344.415 2.673 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000181355992 234161521 /nfs/dbraw/zinc/16/15/21/234161521.db2.gz HZZVCJVEVIAGJX-ZWKOTPCHSA-N 1 0 344.415 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccn1 ZINC000181790854 234323838 /nfs/dbraw/zinc/32/38/38/234323838.db2.gz SBBWIKZTQUPAAH-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000345566330 535227768 /nfs/dbraw/zinc/22/77/68/535227768.db2.gz MXFBWIZSGMYQEJ-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO Cn1cc(C[NH2+]CCc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069582007 215482977 /nfs/dbraw/zinc/48/29/77/215482977.db2.gz FZVXTHPIIYJDDI-UHFFFAOYSA-N 1 0 337.383 2.723 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000183391215 235044684 /nfs/dbraw/zinc/04/46/84/235044684.db2.gz BJXPFPOILPHMRH-GFCCVEGCSA-N 1 0 345.403 2.625 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418433289 535275169 /nfs/dbraw/zinc/27/51/69/535275169.db2.gz CWWOPIYKRLTVEY-HNNXBMFYSA-N 1 0 336.436 2.888 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183577836 235148054 /nfs/dbraw/zinc/14/80/54/235148054.db2.gz DTXSAPFITMABJW-ZIAGYGMSSA-N 1 0 349.435 2.869 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000410592848 283090601 /nfs/dbraw/zinc/09/06/01/283090601.db2.gz QEPUWUUMYRREPY-GOEBONIOSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184059344 235294973 /nfs/dbraw/zinc/29/49/73/235294973.db2.gz YGAITUBBCZZJFZ-OCCSQVGLSA-N 1 0 345.424 2.907 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185108079 235584707 /nfs/dbraw/zinc/58/47/07/235584707.db2.gz MLYZPGBQOTVART-AWEZNQCLSA-N 1 0 347.371 2.538 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 ZINC000349161114 283270866 /nfs/dbraw/zinc/27/08/66/283270866.db2.gz SJHBAUNSRPMYJB-ZDUSSCGKSA-N 1 0 326.291 2.580 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000186867630 236048226 /nfs/dbraw/zinc/04/82/26/236048226.db2.gz WCJAZZGDGNQYIR-ZDUSSCGKSA-N 1 0 328.434 2.769 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000186988385 236088525 /nfs/dbraw/zinc/08/85/25/236088525.db2.gz DANHIGOYUDJOET-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000070728897 215711544 /nfs/dbraw/zinc/71/15/44/215711544.db2.gz PPROMRFHQZZMQU-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187888680 236326857 /nfs/dbraw/zinc/32/68/57/236326857.db2.gz LHLCRZCKRBIDHO-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000188027270 236390301 /nfs/dbraw/zinc/39/03/01/236390301.db2.gz XJKGCFQVDHLXFX-UHFFFAOYSA-N 1 0 337.445 2.630 20 5 EFBDRO C[NH+](C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000032806316 212846875 /nfs/dbraw/zinc/84/68/75/212846875.db2.gz XKCWJWPQWFMWDZ-HNNXBMFYSA-N 1 0 339.399 2.827 20 5 EFBDRO C[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000072074985 216003267 /nfs/dbraw/zinc/00/32/67/216003267.db2.gz GUDCTMXPRXHHBF-UHFFFAOYSA-N 1 0 326.784 2.712 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 ZINC000238091484 283453405 /nfs/dbraw/zinc/45/34/05/283453405.db2.gz JRUBTKMCXNLLKJ-CYBMUJFWSA-N 1 0 325.796 2.886 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418405853 283465855 /nfs/dbraw/zinc/46/58/55/283465855.db2.gz DUWGKNLXHLIXQO-XJKSGUPXSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189903715 237384026 /nfs/dbraw/zinc/38/40/26/237384026.db2.gz RTXOJGDZWBDCET-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449637961 283570342 /nfs/dbraw/zinc/57/03/42/283570342.db2.gz IRQOEPGDKJJEOK-MWLCHTKSSA-N 1 0 345.321 2.861 20 5 EFBDRO Cc1nccn1CCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130367906 223147561 /nfs/dbraw/zinc/14/75/61/223147561.db2.gz CZMJVMJVGQMDKU-UHFFFAOYSA-N 1 0 332.404 2.891 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000130263682 223137833 /nfs/dbraw/zinc/13/78/33/223137833.db2.gz SQDNTQITYPMPEH-KGLIPLIRSA-N 1 0 334.420 2.557 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000072499833 216264290 /nfs/dbraw/zinc/26/42/90/216264290.db2.gz AYMPBEPZOQIODT-NWDGAFQWSA-N 1 0 338.795 2.949 20 5 EFBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000072579524 216276848 /nfs/dbraw/zinc/27/68/48/216276848.db2.gz MHANBNDGSBNJTJ-HZPDHXFCSA-N 1 0 332.404 2.529 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000131052434 223200526 /nfs/dbraw/zinc/20/05/26/223200526.db2.gz JHANMCDUTMUGIM-JTQLQIEISA-N 1 0 345.321 2.637 20 5 EFBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000072579520 216277498 /nfs/dbraw/zinc/27/74/98/216277498.db2.gz MHANBNDGSBNJTJ-HOTGVXAUSA-N 1 0 332.404 2.529 20 5 EFBDRO [NH3+]Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000131520584 223243158 /nfs/dbraw/zinc/24/31/58/223243158.db2.gz KFZNYDZUHVZNOR-UHFFFAOYSA-N 1 0 340.383 2.906 20 5 EFBDRO COc1cc(C[NH2+]CCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072713137 216296885 /nfs/dbraw/zinc/29/68/85/216296885.db2.gz UJFHOGRPIYMBCF-UHFFFAOYSA-N 1 0 346.383 2.654 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725006 216300662 /nfs/dbraw/zinc/30/06/62/216300662.db2.gz BXBAIVGEEOODNL-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCC1 ZINC000072753543 216302852 /nfs/dbraw/zinc/30/28/52/216302852.db2.gz WSXPTBZPQUXAOG-UHFFFAOYSA-N 1 0 337.445 2.679 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCO)cc1 ZINC000072785917 216304753 /nfs/dbraw/zinc/30/47/53/216304753.db2.gz XYCGIBVVACATDM-UHFFFAOYSA-N 1 0 338.367 2.529 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000072808698 216310073 /nfs/dbraw/zinc/31/00/73/216310073.db2.gz PTCQKBBGYCXLOP-KGLIPLIRSA-N 1 0 335.404 2.914 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803299 216307882 /nfs/dbraw/zinc/30/78/82/216307882.db2.gz IWRXPSRQLAXZBT-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072901602 216326326 /nfs/dbraw/zinc/32/63/26/216326326.db2.gz FMTWPUJDJOCLDV-GFCCVEGCSA-N 1 0 325.434 2.997 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000073052229 216344635 /nfs/dbraw/zinc/34/46/35/216344635.db2.gz MSBOPLRPGFAZEA-KRWDZBQOSA-N 1 0 345.399 2.659 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191362078 239067109 /nfs/dbraw/zinc/06/71/09/239067109.db2.gz SYNGVECGHLHCDR-WMZOPIPTSA-N 1 0 341.411 2.758 20 5 EFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000191545133 239177576 /nfs/dbraw/zinc/17/75/76/239177576.db2.gz OQSNELRDJBPGKD-UHFFFAOYSA-N 1 0 334.420 2.563 20 5 EFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132069723 223296691 /nfs/dbraw/zinc/29/66/91/223296691.db2.gz VVVWNQZUEFBRMX-HOCLYGCPSA-N 1 0 327.384 2.635 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000191664740 239241618 /nfs/dbraw/zinc/24/16/18/239241618.db2.gz SOWBSGVLJRQSAM-GOSISDBHSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(c1ccoc1)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132089554 223298881 /nfs/dbraw/zinc/29/88/81/223298881.db2.gz FMIDJEZQAPKKQO-UHFFFAOYSA-N 1 0 343.383 2.625 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000175959367 239294591 /nfs/dbraw/zinc/29/45/91/239294591.db2.gz TZBZOZVIUOCZSX-QGZVFWFLSA-N 1 0 344.415 2.515 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])s1 ZINC000192488751 239747078 /nfs/dbraw/zinc/74/70/78/239747078.db2.gz SOXGEBLMSXPSGC-UHFFFAOYSA-N 1 0 342.371 2.898 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000132604978 223346715 /nfs/dbraw/zinc/34/67/15/223346715.db2.gz UQLZLBKDZMWKIG-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO COc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000195323942 240218916 /nfs/dbraw/zinc/21/89/16/240218916.db2.gz WTBIWTBKJLEMIW-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000195406370 240222627 /nfs/dbraw/zinc/22/26/27/240222627.db2.gz MCTGEESPBJNGDB-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195428240 240226141 /nfs/dbraw/zinc/22/61/41/240226141.db2.gz VJRWHBLRMZVPOI-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO C[NH+](C)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193789647 240311469 /nfs/dbraw/zinc/31/14/69/240311469.db2.gz TUUOQMHPKBWHPA-UHFFFAOYSA-N 1 0 336.392 2.667 20 5 EFBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000193679797 240262585 /nfs/dbraw/zinc/26/25/85/240262585.db2.gz BMXOWXKZCGHBOI-MEDUHNTESA-N 1 0 345.424 2.938 20 5 EFBDRO COc1cccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000195438732 240959034 /nfs/dbraw/zinc/95/90/34/240959034.db2.gz FSCBMQNGLDCTQJ-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195684830 241031728 /nfs/dbraw/zinc/03/17/28/241031728.db2.gz RHAQWYBGFOSVEO-OKILXGFUSA-N 1 0 348.447 2.734 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195684832 241032218 /nfs/dbraw/zinc/03/22/18/241032218.db2.gz RHAQWYBGFOSVEO-ZIAGYGMSSA-N 1 0 348.447 2.734 20 5 EFBDRO O=C(NCC[NH+]1CCC(O)CC1)c1cc2ccccc2c2cccnc12 ZINC000296983303 241106823 /nfs/dbraw/zinc/10/68/23/241106823.db2.gz PHDMCGZPXSBECO-UHFFFAOYSA-N 1 0 349.434 2.575 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000298774479 241157662 /nfs/dbraw/zinc/15/76/62/241157662.db2.gz BVOFFSNKNINTJQ-AWEZNQCLSA-N 1 0 337.375 2.941 20 5 EFBDRO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000236239315 242288163 /nfs/dbraw/zinc/28/81/63/242288163.db2.gz JBCNWONXWYSDLM-NSHDSACASA-N 1 0 329.198 2.682 20 5 EFBDRO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000230214856 242252472 /nfs/dbraw/zinc/25/24/72/242252472.db2.gz DYBCBGIYMJWPFW-MRVPVSSYSA-N 1 0 329.198 2.647 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236631629 242300130 /nfs/dbraw/zinc/30/01/30/242300130.db2.gz FUCGARNKSLZSGD-OAHLLOKOSA-N 1 0 348.447 2.640 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236688767 242321300 /nfs/dbraw/zinc/32/13/00/242321300.db2.gz AJCSHSOKUNRYAM-LRDDRELGSA-N 1 0 339.461 2.955 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236705486 242326627 /nfs/dbraw/zinc/32/66/27/242326627.db2.gz CCCGKWMWSUTOMU-KRWDZBQOSA-N 1 0 334.420 2.662 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003642 243065564 /nfs/dbraw/zinc/06/55/64/243065564.db2.gz QOMBJCNKBXTPFW-UHFFFAOYSA-N 1 0 346.427 2.880 20 5 EFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000411895019 243019617 /nfs/dbraw/zinc/01/96/17/243019617.db2.gz UKPDEUMVGKDHOZ-MSOLQXFVSA-N 1 0 328.368 2.876 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411901774 243021430 /nfs/dbraw/zinc/02/14/30/243021430.db2.gz FTXRPBJXOOJGPM-CYBMUJFWSA-N 1 0 337.420 2.842 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411919670 243026844 /nfs/dbraw/zinc/02/68/44/243026844.db2.gz BIPLAZXHQOWPJB-NVXWUHKLSA-N 1 0 328.368 2.782 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000411974379 243050453 /nfs/dbraw/zinc/05/04/53/243050453.db2.gz YKJQZLQKTYNZRF-IBGZPJMESA-N 1 0 339.395 2.532 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411972705 243051536 /nfs/dbraw/zinc/05/15/36/243051536.db2.gz NVEOXBANXXOUOP-DLBZAZTESA-N 1 0 331.416 2.641 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412059923 243109982 /nfs/dbraw/zinc/10/99/82/243109982.db2.gz DLTHUGDLRAOVQK-QGZVFWFLSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000245755414 243156087 /nfs/dbraw/zinc/15/60/87/243156087.db2.gz DTMKPJRPNNGIAB-SHFYGJNESA-N 1 0 347.415 2.777 20 5 EFBDRO COc1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000412320289 243267348 /nfs/dbraw/zinc/26/73/48/243267348.db2.gz VPWNANDKEOQFMR-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412290963 243248829 /nfs/dbraw/zinc/24/88/29/243248829.db2.gz JWVJLDPKGIOKBQ-FGTMMUONSA-N 1 0 343.427 2.831 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000246529467 243265638 /nfs/dbraw/zinc/26/56/38/243265638.db2.gz CMPIWPSGOIHYDZ-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1C ZINC000412234812 243219354 /nfs/dbraw/zinc/21/93/54/243219354.db2.gz QJFFWSILOKBMQC-ZIAGYGMSSA-N 1 0 349.431 2.937 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247084417 243370076 /nfs/dbraw/zinc/37/00/76/243370076.db2.gz PKQMGBHCCFGEDU-NWANDNLSSA-N 1 0 334.420 2.828 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413053683 243440063 /nfs/dbraw/zinc/44/00/63/243440063.db2.gz KOSGKRLBGCAKMZ-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000414121489 244012840 /nfs/dbraw/zinc/01/28/40/244012840.db2.gz ZQCOGQGUWVBJGZ-SNVBAGLBSA-N 1 0 335.385 2.731 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000076714439 216809157 /nfs/dbraw/zinc/80/91/57/216809157.db2.gz KCDLGMNIUNGIGS-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000414244100 244058032 /nfs/dbraw/zinc/05/80/32/244058032.db2.gz ALFRMIKCNGRDHV-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414249707 244059757 /nfs/dbraw/zinc/05/97/57/244059757.db2.gz GWPYQQJRHSNGHV-CYBMUJFWSA-N 1 0 342.461 2.719 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414249709 244061122 /nfs/dbraw/zinc/06/11/22/244061122.db2.gz GWPYQQJRHSNGHV-ZDUSSCGKSA-N 1 0 342.461 2.719 20 5 EFBDRO COCC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195818 244041288 /nfs/dbraw/zinc/04/12/88/244041288.db2.gz JKUVCOLTUUWCQA-XJKSGUPXSA-N 1 0 332.404 2.680 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199966 244045423 /nfs/dbraw/zinc/04/54/23/244045423.db2.gz LEURIDJHSNFGDV-XIKOKIGWSA-N 1 0 343.383 2.565 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414288201 244076314 /nfs/dbraw/zinc/07/63/14/244076314.db2.gz UZUIWBKGTZRZTI-RFGFWPKPSA-N 1 0 335.404 2.715 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449661243 284125440 /nfs/dbraw/zinc/12/54/40/284125440.db2.gz ZOXYOUIMQVMGDE-GFCCVEGCSA-N 1 0 341.339 2.537 20 5 EFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414497231 244194910 /nfs/dbraw/zinc/19/49/10/244194910.db2.gz JWVOKOJPLINHHB-AWEZNQCLSA-N 1 0 343.383 2.765 20 5 EFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CS1 ZINC000414500703 244196994 /nfs/dbraw/zinc/19/69/94/244196994.db2.gz MGUOMWJLOGLJKV-SMDDNHRTSA-N 1 0 332.429 2.979 20 5 EFBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000414510612 244202466 /nfs/dbraw/zinc/20/24/66/244202466.db2.gz VQBLUUTUOXISSG-WMLDXEAASA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414520122 244208804 /nfs/dbraw/zinc/20/88/04/244208804.db2.gz UYOWBYJBYDGRQJ-UMVBOHGHSA-N 1 0 344.415 2.898 20 5 EFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000414552052 244229315 /nfs/dbraw/zinc/22/93/15/244229315.db2.gz GMFNFYLPUZGBLD-UHFFFAOYSA-N 1 0 346.836 2.553 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCOC3)o2)cc1 ZINC000414569723 244238891 /nfs/dbraw/zinc/23/88/91/244238891.db2.gz ZSEWNHLCMCTGHN-PBHICJAKSA-N 1 0 346.383 2.732 20 5 EFBDRO Cc1ccc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000414668763 244287167 /nfs/dbraw/zinc/28/71/67/244287167.db2.gz ZHPFLYNRBFKRBO-MRXNPFEDSA-N 1 0 340.383 2.912 20 5 EFBDRO COC[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]1 ZINC000414948058 244399735 /nfs/dbraw/zinc/39/97/35/244399735.db2.gz WPPJPOGJXHAKTE-SFHVURJKSA-N 1 0 345.399 2.713 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417706817 245089139 /nfs/dbraw/zinc/08/91/39/245089139.db2.gz AINOFVSENJQHBC-UHFFFAOYSA-N 1 0 336.436 2.544 20 5 EFBDRO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000262653465 245097741 /nfs/dbraw/zinc/09/77/41/245097741.db2.gz WHXCVYSXLQXWTQ-YVEFUNNKSA-N 1 0 325.368 2.820 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418433291 245157244 /nfs/dbraw/zinc/15/72/44/245157244.db2.gz CWWOPIYKRLTVEY-OAHLLOKOSA-N 1 0 336.436 2.888 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418547376 245189558 /nfs/dbraw/zinc/18/95/58/245189558.db2.gz BCBRIPOAKDRCGV-UHFFFAOYSA-N 1 0 340.383 2.540 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418574869 245199359 /nfs/dbraw/zinc/19/93/59/245199359.db2.gz WCBFNIQXUVGIJC-KBPBESRZSA-N 1 0 332.404 2.539 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418584281 245201057 /nfs/dbraw/zinc/20/10/57/245201057.db2.gz OEVMNWUBPQFMOE-HUUCEWRRSA-N 1 0 334.420 2.785 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418709329 245254568 /nfs/dbraw/zinc/25/45/68/245254568.db2.gz DCFGOIIEDJJUSW-GJZGRUSLSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418709332 245254989 /nfs/dbraw/zinc/25/49/89/245254989.db2.gz DCFGOIIEDJJUSW-LSDHHAIUSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000342880165 296165132 /nfs/dbraw/zinc/16/51/32/296165132.db2.gz HCGZPPJZMRSVST-ZDUSSCGKSA-N 1 0 342.399 2.777 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418718681 245257623 /nfs/dbraw/zinc/25/76/23/245257623.db2.gz DPDBSHXSLXXELT-TZMCWYRMSA-N 1 0 334.420 2.647 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H](CC)OC)CC2)ccc1[N+](=O)[O-] ZINC000419293563 245369950 /nfs/dbraw/zinc/36/99/50/245369950.db2.gz NRQDKQNBGQZLEX-HNNXBMFYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419298446 245371706 /nfs/dbraw/zinc/37/17/06/245371706.db2.gz WDOAMQMKERAZDL-ZDUSSCGKSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000419373411 245394480 /nfs/dbraw/zinc/39/44/80/245394480.db2.gz ODDPDICFLBYHMY-FRRDWIJNSA-N 1 0 333.388 2.869 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000110356900 220032240 /nfs/dbraw/zinc/03/22/40/220032240.db2.gz NZAVYZSFSFVZQJ-GFCCVEGCSA-N 1 0 333.413 2.907 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079325726 217208980 /nfs/dbraw/zinc/20/89/80/217208980.db2.gz HDQINWNPAMZBAL-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000111273929 220131429 /nfs/dbraw/zinc/13/14/29/220131429.db2.gz DDIDHEWNGBSPHF-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000080611193 217318231 /nfs/dbraw/zinc/31/82/31/217318231.db2.gz DLWVRWOVZIIWHL-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000081335236 217385101 /nfs/dbraw/zinc/38/51/01/217385101.db2.gz KZICTIJSCJPDTA-OAHLLOKOSA-N 1 0 348.447 2.587 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704575 246067250 /nfs/dbraw/zinc/06/72/50/246067250.db2.gz PGZCSAPYUNENHU-GXTWGEPZSA-N 1 0 337.445 2.628 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000421684063 246062428 /nfs/dbraw/zinc/06/24/28/246062428.db2.gz HSPCYDYATWXFLE-UHFFFAOYSA-N 1 0 344.415 2.539 20 5 EFBDRO COc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000264109669 246073906 /nfs/dbraw/zinc/07/39/06/246073906.db2.gz BEMVKMBQVTYQNX-KRWDZBQOSA-N 1 0 349.431 2.730 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000421710384 246076501 /nfs/dbraw/zinc/07/65/01/246076501.db2.gz KHWZFJAZJVROMT-ZDUSSCGKSA-N 1 0 337.395 2.564 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000421770485 246109016 /nfs/dbraw/zinc/10/90/16/246109016.db2.gz BPXSLTMSHCRGBM-HNNXBMFYSA-N 1 0 331.416 2.770 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H](C)N1CCOCC1 ZINC000264181747 246148280 /nfs/dbraw/zinc/14/82/80/246148280.db2.gz BDTLZXVPVUIRMN-CHWSQXEVSA-N 1 0 330.388 2.664 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000421863590 246142132 /nfs/dbraw/zinc/14/21/32/246142132.db2.gz WRLOVMDPZUBHJO-LBPRGKRZSA-N 1 0 337.445 2.711 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423629899 246641900 /nfs/dbraw/zinc/64/19/00/246641900.db2.gz XVKOGWJDPSAXGQ-KOLCDFICSA-N 1 0 343.836 2.597 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000264918784 247045746 /nfs/dbraw/zinc/04/57/46/247045746.db2.gz LLPBKLCOQNEPTP-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367107 247059622 /nfs/dbraw/zinc/05/96/22/247059622.db2.gz HCYNCSSINIZSER-OAHLLOKOSA-N 1 0 343.431 2.774 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000425273034 247024716 /nfs/dbraw/zinc/02/47/16/247024716.db2.gz ABGIAYLKYIFDLZ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)CC1CC1 ZINC000425402827 247071906 /nfs/dbraw/zinc/07/19/06/247071906.db2.gz HNVHAXSKWPMYDR-UHFFFAOYSA-N 1 0 329.194 2.562 20 5 EFBDRO C[C@H]1COCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422910 247079413 /nfs/dbraw/zinc/07/94/13/247079413.db2.gz PZOCFVALSNNVLY-SNVBAGLBSA-N 1 0 329.194 2.826 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000425442747 247088316 /nfs/dbraw/zinc/08/83/16/247088316.db2.gz IJVUIVUALLUSHA-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264995356 247119565 /nfs/dbraw/zinc/11/95/65/247119565.db2.gz UMBSUIXNXTUIFM-CQSZACIVSA-N 1 0 334.420 2.631 20 5 EFBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425534037 247124723 /nfs/dbraw/zinc/12/47/23/247124723.db2.gz ATMPBTOFKXNHJR-SJORKVTESA-N 1 0 344.415 2.625 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000265003616 247127460 /nfs/dbraw/zinc/12/74/60/247127460.db2.gz TUGUTYXFHQLXEI-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426475888 247285362 /nfs/dbraw/zinc/28/53/62/247285362.db2.gz ZWYGDGBMAOBGIP-TZMCWYRMSA-N 1 0 331.372 2.767 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000426802628 247300051 /nfs/dbraw/zinc/30/00/51/247300051.db2.gz WZRAGYYBDBWCLN-AWEZNQCLSA-N 1 0 337.420 2.517 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427204576 247329653 /nfs/dbraw/zinc/32/96/53/247329653.db2.gz LMGKUKGOQBMUHK-UHFFFAOYSA-N 1 0 347.337 2.528 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000427751328 247389889 /nfs/dbraw/zinc/38/98/89/247389889.db2.gz CDUZIYPYNOREKL-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000430624188 247815607 /nfs/dbraw/zinc/81/56/07/247815607.db2.gz IOQHZZBDWNUCTL-CQSZACIVSA-N 1 0 337.445 2.825 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000433192715 248025780 /nfs/dbraw/zinc/02/57/80/248025780.db2.gz MMTUPNHNZJIEIL-GQCTYLIASA-N 1 0 326.356 2.751 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN(CCO)[C@@H]2CCCSC2)c(F)c1 ZINC000433193473 248026434 /nfs/dbraw/zinc/02/64/34/248026434.db2.gz QNZNXHWYAKGSQX-SNVBAGLBSA-N 1 0 332.372 2.563 20 5 EFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433201526 248027610 /nfs/dbraw/zinc/02/76/10/248027610.db2.gz WVJRZXUUHBYNEA-AWEZNQCLSA-N 1 0 340.445 2.818 20 5 EFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCSC1 ZINC000433197717 248028014 /nfs/dbraw/zinc/02/80/14/248028014.db2.gz UFWMTXUTIKBIMU-OAHLLOKOSA-N 1 0 340.445 2.947 20 5 EFBDRO CCOc1cc(C[N@H+](CCO)[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433211232 248029334 /nfs/dbraw/zinc/02/93/34/248029334.db2.gz XEUPXBZJQVHJAS-CQSZACIVSA-N 1 0 340.445 2.683 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266013436 248030032 /nfs/dbraw/zinc/03/00/32/248030032.db2.gz PIEWGQQJNYSAJA-CYBMUJFWSA-N 1 0 342.399 2.634 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266104536 248099704 /nfs/dbraw/zinc/09/97/04/248099704.db2.gz SKTLNIUNIDDCSG-GJZGRUSLSA-N 1 0 333.432 2.622 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000266163958 248142835 /nfs/dbraw/zinc/14/28/35/248142835.db2.gz OMRIPOFLRYVZLK-QGZVFWFLSA-N 1 0 334.372 2.811 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434423327 248153004 /nfs/dbraw/zinc/15/30/04/248153004.db2.gz DWKQMTLXDOWADE-HNNXBMFYSA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1ccc(-c2csc(CN3CCC([NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000434658482 248175717 /nfs/dbraw/zinc/17/57/17/248175717.db2.gz DYFIOIBGPPBTKT-UHFFFAOYSA-N 1 0 332.429 2.950 20 5 EFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000266211582 248176137 /nfs/dbraw/zinc/17/61/37/248176137.db2.gz FWDAYFHRLRYTMP-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000266111748 248104680 /nfs/dbraw/zinc/10/46/80/248104680.db2.gz VCHJAULSAPCMAU-SWLSCSKDSA-N 1 0 344.415 2.878 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000266111753 248104711 /nfs/dbraw/zinc/10/47/11/248104711.db2.gz VCHJAULSAPCMAU-WFASDCNBSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266140934 248126292 /nfs/dbraw/zinc/12/62/92/248126292.db2.gz HBNYBSWZSJJIQJ-VIFPVBQESA-N 1 0 339.193 2.942 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000266142376 248127176 /nfs/dbraw/zinc/12/71/76/248127176.db2.gz HQUZRKYLUNWRJE-UHFFFAOYSA-N 1 0 346.387 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)cc1OC(F)F ZINC000266282262 248221561 /nfs/dbraw/zinc/22/15/61/248221561.db2.gz UMFFAMZBZLVOSG-LBPRGKRZSA-N 1 0 325.315 2.647 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000266299893 248233940 /nfs/dbraw/zinc/23/39/40/248233940.db2.gz MEIJUMYVBIZKQH-MDZLAQPJSA-N 1 0 332.360 2.720 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000435541286 248247799 /nfs/dbraw/zinc/24/77/99/248247799.db2.gz HGRHZTIHJBZOBI-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000266334934 248252933 /nfs/dbraw/zinc/25/29/33/248252933.db2.gz HHYRDNNHTPULFG-ZDUSSCGKSA-N 1 0 334.420 2.583 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266335317 248253627 /nfs/dbraw/zinc/25/36/27/248253627.db2.gz WNLKTJORTFVKTI-CQSZACIVSA-N 1 0 337.445 2.630 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000266343396 248256139 /nfs/dbraw/zinc/25/61/39/248256139.db2.gz MVQZNTOCUWSORA-AWEZNQCLSA-N 1 0 342.399 2.660 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266505849 248335441 /nfs/dbraw/zinc/33/54/41/248335441.db2.gz BWSBXMGKQMMSJL-KBRIMQKVSA-N 1 0 334.416 2.908 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCCC1 ZINC000266435741 248299473 /nfs/dbraw/zinc/29/94/73/248299473.db2.gz VAEBMAFRWUJCFT-UHFFFAOYSA-N 1 0 348.403 2.838 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000175359236 296250449 /nfs/dbraw/zinc/25/04/49/296250449.db2.gz MXAPLNZKLGGJLN-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000266541410 248351685 /nfs/dbraw/zinc/35/16/85/248351685.db2.gz QBLORVRHASJIJW-HNNXBMFYSA-N 1 0 333.432 2.700 20 5 EFBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435629154 249389870 /nfs/dbraw/zinc/38/98/70/249389870.db2.gz WTPZSXCDMZTGTH-AWEZNQCLSA-N 1 0 345.403 2.609 20 5 EFBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435624169 249390029 /nfs/dbraw/zinc/39/00/29/249390029.db2.gz DWBOZHCUPXEALP-AWEZNQCLSA-N 1 0 345.403 2.609 20 5 EFBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC[NH+](C)CC1 ZINC000435831570 249426570 /nfs/dbraw/zinc/42/65/70/249426570.db2.gz SEDXROWOLSAFHM-UHFFFAOYSA-N 1 0 349.434 2.848 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520269 284678490 /nfs/dbraw/zinc/67/84/90/284678490.db2.gz NQZIGQPAGQDKPU-PBHICJAKSA-N 1 0 345.447 2.738 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892693 217874413 /nfs/dbraw/zinc/87/44/13/217874413.db2.gz PKYFQISDTAUXOG-INIZCTEOSA-N 1 0 330.388 2.776 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092427326 218140037 /nfs/dbraw/zinc/14/00/37/218140037.db2.gz IWVCEQANUFMKDV-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000092429307 218141459 /nfs/dbraw/zinc/14/14/59/218141459.db2.gz MHQGYWPXCLXAHE-JSGCOSHPSA-N 1 0 331.416 2.875 20 5 EFBDRO CCOCC[N@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092537565 218148639 /nfs/dbraw/zinc/14/86/39/218148639.db2.gz UNNDPSHAXPNBMO-UHFFFAOYSA-N 1 0 332.404 2.854 20 5 EFBDRO COCC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093103443 218193859 /nfs/dbraw/zinc/19/38/59/218193859.db2.gz PAYNVDJEAMQSAK-UHFFFAOYSA-N 1 0 344.415 2.854 20 5 EFBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093433923 218226652 /nfs/dbraw/zinc/22/66/52/218226652.db2.gz LRRJFUZEECMCEM-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093482092 218228651 /nfs/dbraw/zinc/22/86/51/218228651.db2.gz QCVCYSWWUJDLID-GUYCJALGSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093482095 218229136 /nfs/dbraw/zinc/22/91/36/218229136.db2.gz QCVCYSWWUJDLID-CXAGYDPISA-N 1 0 344.415 2.731 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646332 250215169 /nfs/dbraw/zinc/21/51/69/250215169.db2.gz CHKFCCVYGLSEJB-QWHCGFSZSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000443642991 250215232 /nfs/dbraw/zinc/21/52/32/250215232.db2.gz QDGLIIKNVDUWBI-ZIAGYGMSSA-N 1 0 331.416 2.852 20 5 EFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000443515350 250203014 /nfs/dbraw/zinc/20/30/14/250203014.db2.gz BZQXZFGFNDYNER-HNNXBMFYSA-N 1 0 346.456 2.968 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1S(C)(=O)=O ZINC000443992856 250246029 /nfs/dbraw/zinc/24/60/29/250246029.db2.gz HMIVXTLEJGJOTH-UHFFFAOYSA-N 1 0 334.397 2.597 20 5 EFBDRO CC(C)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000444198234 250270248 /nfs/dbraw/zinc/27/02/48/250270248.db2.gz SXPJQUVCSMSUJN-UHFFFAOYSA-N 1 0 331.416 2.852 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000444336198 250289397 /nfs/dbraw/zinc/28/93/97/250289397.db2.gz CHSIJHGCIZWNSX-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444668823 250325555 /nfs/dbraw/zinc/32/55/55/250325555.db2.gz ZREFKJHSYWDKFP-SJKOYZFVSA-N 1 0 346.387 2.683 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC1CC[NH+](C2CC2)CC1 ZINC000444876542 250360990 /nfs/dbraw/zinc/36/09/90/250360990.db2.gz QKICLUIXASNUGL-UHFFFAOYSA-N 1 0 326.400 2.851 20 5 EFBDRO COc1cc(C[NH2+][C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000444703377 250333599 /nfs/dbraw/zinc/33/35/99/250333599.db2.gz SQDRZIKUWGNECZ-ZDUSSCGKSA-N 1 0 348.346 2.701 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267227515 250852184 /nfs/dbraw/zinc/85/21/84/250852184.db2.gz KLRDPIJALGORBA-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1F ZINC000449086104 250909972 /nfs/dbraw/zinc/90/99/72/250909972.db2.gz QNLSCSFFJFRXBL-ZDUSSCGKSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCC1CCOCC1 ZINC000449165528 250938088 /nfs/dbraw/zinc/93/80/88/250938088.db2.gz WSALCSATXPCRQJ-OAHLLOKOSA-N 1 0 336.432 2.949 20 5 EFBDRO CNC(=O)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449303318 250989546 /nfs/dbraw/zinc/98/95/46/250989546.db2.gz XVJXLWJGYUJGMA-PBHICJAKSA-N 1 0 341.411 2.993 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449402066 251014793 /nfs/dbraw/zinc/01/47/93/251014793.db2.gz JMIORBYAABTKHF-ZENOOKHLSA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449405780 251015753 /nfs/dbraw/zinc/01/57/53/251015753.db2.gz ZYBDDOMVYXNXEP-XEZPLFJOSA-N 1 0 337.420 2.963 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449453185 251031205 /nfs/dbraw/zinc/03/12/05/251031205.db2.gz HMIHXJNTLJSUFS-SCLBCKFNSA-N 1 0 346.383 2.996 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449461900 251034155 /nfs/dbraw/zinc/03/41/55/251034155.db2.gz UHHYJOCNWNECIS-KBXCAEBGSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000449485160 251041060 /nfs/dbraw/zinc/04/10/60/251041060.db2.gz PGIYHNSBDJKLSI-GOSISDBHSA-N 1 0 346.383 2.960 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449510832 251047563 /nfs/dbraw/zinc/04/75/63/251047563.db2.gz QQEDSODEQUUZOF-WMZOPIPTSA-N 1 0 334.416 2.880 20 5 EFBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000449517250 251050390 /nfs/dbraw/zinc/05/03/90/251050390.db2.gz JNAHPOCJSWRFAT-GFCCVEGCSA-N 1 0 329.356 2.565 20 5 EFBDRO Cc1ccncc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449526512 251052818 /nfs/dbraw/zinc/05/28/18/251052818.db2.gz WDSYNHDTIAXQLN-CYBMUJFWSA-N 1 0 328.372 2.805 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434014 251054786 /nfs/dbraw/zinc/05/47/86/251054786.db2.gz HNEKAFXALSAFPJ-VXGBXAGGSA-N 1 0 349.412 2.654 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449503768 251045417 /nfs/dbraw/zinc/04/54/17/251045417.db2.gz PWYSGEURZSYZCN-SUMWQHHRSA-N 1 0 344.415 2.852 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449574276 251069076 /nfs/dbraw/zinc/06/90/76/251069076.db2.gz UIJSIHMHOSDARS-JMSVASOKSA-N 1 0 343.387 2.804 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3(CO)CC3)cs2)c1 ZINC000449581051 251072832 /nfs/dbraw/zinc/07/28/32/251072832.db2.gz WQRMSDLJOXVIIT-UHFFFAOYSA-N 1 0 333.413 2.971 20 5 EFBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449605915 251080205 /nfs/dbraw/zinc/08/02/05/251080205.db2.gz XHUYGUMCCPIGKM-LLVKDONJSA-N 1 0 333.413 2.938 20 5 EFBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449605916 251080578 /nfs/dbraw/zinc/08/05/78/251080578.db2.gz XHUYGUMCCPIGKM-NSHDSACASA-N 1 0 333.413 2.938 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267473352 251090141 /nfs/dbraw/zinc/09/01/41/251090141.db2.gz YPTFUYFUQWCUNC-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@@H]1CCOC1 ZINC000449684863 251116043 /nfs/dbraw/zinc/11/60/43/251116043.db2.gz QLCPTERJOZWSPQ-UONOGXRCSA-N 1 0 335.404 2.718 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449714510 251127364 /nfs/dbraw/zinc/12/73/64/251127364.db2.gz GWSLVSVSRYKHBE-NVXWUHKLSA-N 1 0 332.356 2.748 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)C3CCC3)cs2)c1 ZINC000449738316 251135124 /nfs/dbraw/zinc/13/51/24/251135124.db2.gz BACDBLADKLEIBT-OAHLLOKOSA-N 1 0 333.413 2.969 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449707075 251123815 /nfs/dbraw/zinc/12/38/15/251123815.db2.gz PRSGTGWHPCYYPH-NSHDSACASA-N 1 0 344.371 2.967 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449710833 251125686 /nfs/dbraw/zinc/12/56/86/251125686.db2.gz BTBIWHVPOFKIIC-JQWIXIFHSA-N 1 0 346.412 2.576 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000449757314 251142838 /nfs/dbraw/zinc/14/28/38/251142838.db2.gz SDNSXOFQOUDOPV-MSOLQXFVSA-N 1 0 340.379 2.983 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449744798 251137815 /nfs/dbraw/zinc/13/78/15/251137815.db2.gz JUUYYEXCZLHUII-OLZOCXBDSA-N 1 0 329.356 2.598 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000267724376 251287564 /nfs/dbraw/zinc/28/75/64/251287564.db2.gz MDRXCMLQFZJEOM-NUEKZKHPSA-N 1 0 346.431 2.890 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000450253267 251317717 /nfs/dbraw/zinc/31/77/17/251317717.db2.gz NGGSGKDCEWTCQP-OLZOCXBDSA-N 1 0 342.399 2.612 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC[NH+](C(C)C)CC1 ZINC000450223260 251304306 /nfs/dbraw/zinc/30/43/06/251304306.db2.gz KLLLVIWHMVSVDF-UHFFFAOYSA-N 1 0 344.415 2.858 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000450315074 251341353 /nfs/dbraw/zinc/34/13/53/251341353.db2.gz DBIPUEPRKCHSCX-CQSZACIVSA-N 1 0 347.415 2.739 20 5 EFBDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450334023 251348585 /nfs/dbraw/zinc/34/85/85/251348585.db2.gz RHMUKFGHMCGPCC-HIFRSBDPSA-N 1 0 333.436 2.784 20 5 EFBDRO Cc1nc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450419036 251380953 /nfs/dbraw/zinc/38/09/53/251380953.db2.gz NFMREYUDSJGIFY-ZIAGYGMSSA-N 1 0 341.415 2.792 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451485433 251581091 /nfs/dbraw/zinc/58/10/91/251581091.db2.gz CYTWXSRKNBSCQI-CABCVRRESA-N 1 0 335.404 2.635 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451523063 251593234 /nfs/dbraw/zinc/59/32/34/251593234.db2.gz CGRTUDNNMQJLOP-CJNGLKHVSA-N 1 0 335.404 2.670 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000451587331 251612990 /nfs/dbraw/zinc/61/29/90/251612990.db2.gz BVPQGZLIRZXQLD-KGLIPLIRSA-N 1 0 336.388 2.685 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000453328385 252034263 /nfs/dbraw/zinc/03/42/63/252034263.db2.gz SZVVOOARRSWARL-JDFRZJQESA-N 1 0 338.404 2.696 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453330558 252034659 /nfs/dbraw/zinc/03/46/59/252034659.db2.gz DRKMLVPXDUCTIV-JDFRZJQESA-N 1 0 330.388 2.899 20 5 EFBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000268585453 252044931 /nfs/dbraw/zinc/04/49/31/252044931.db2.gz SPOPUBGXHDOAID-FUHWJXTLSA-N 1 0 344.415 2.606 20 5 EFBDRO COc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1[N+](=O)[O-] ZINC000453628058 252055873 /nfs/dbraw/zinc/05/58/73/252055873.db2.gz WFSTXWOCJYECLD-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000453035439 252022469 /nfs/dbraw/zinc/02/24/69/252022469.db2.gz KFMPRWHPNVXDPS-MPGHIAIKSA-N 1 0 336.432 2.947 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000454136396 252151104 /nfs/dbraw/zinc/15/11/04/252151104.db2.gz QPCYAYSIFRRYMW-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000454353119 252230095 /nfs/dbraw/zinc/23/00/95/252230095.db2.gz BUVZBQOSCRFYOH-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000164270167 533008221 /nfs/dbraw/zinc/00/82/21/533008221.db2.gz KNUZYVPYNTZQRQ-DOMZBBRYSA-N 1 0 349.456 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)cc1 ZINC000344349212 285115731 /nfs/dbraw/zinc/11/57/31/285115731.db2.gz VODZLJRQTOOGLG-CVEARBPZSA-N 1 0 336.338 2.922 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000311234513 285133174 /nfs/dbraw/zinc/13/31/74/285133174.db2.gz SLBCGGJUCLRICT-IRXDYDNUSA-N 1 0 338.411 2.948 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187180905 533097032 /nfs/dbraw/zinc/09/70/32/533097032.db2.gz JXBGKTMZCLWULU-AUUYWEPGSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187165289 533096037 /nfs/dbraw/zinc/09/60/37/533096037.db2.gz FZWCPSKPYLOVEG-KUHUBIRLSA-N 1 0 341.411 2.945 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)CCC2 ZINC000373206770 285145280 /nfs/dbraw/zinc/14/52/80/285145280.db2.gz UZXSONWOOLMTAD-OLMNPRSZSA-N 1 0 332.400 2.900 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000153943934 285156989 /nfs/dbraw/zinc/15/69/89/285156989.db2.gz DTLOCHOUSZXWBJ-MSOLQXFVSA-N 1 0 333.432 2.579 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174100980 533113518 /nfs/dbraw/zinc/11/35/18/533113518.db2.gz HZBJAQGIFHMORW-GFCCVEGCSA-N 1 0 328.796 2.733 20 5 EFBDRO COc1ccc([C@@H](CO)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000112995837 220437607 /nfs/dbraw/zinc/43/76/07/220437607.db2.gz YFJHDEPZPRLTMX-QGZVFWFLSA-N 1 0 346.383 2.648 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192029290 285168494 /nfs/dbraw/zinc/16/84/94/285168494.db2.gz RVXYLZGHKQEOHL-HIFRSBDPSA-N 1 0 336.779 2.565 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000181777916 533138125 /nfs/dbraw/zinc/13/81/25/533138125.db2.gz YJWAEGGXEMLSGW-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000113597702 220578891 /nfs/dbraw/zinc/57/88/91/220578891.db2.gz FIILYVCGIYQCQP-DVOMOZLQSA-N 1 0 332.404 2.534 20 5 EFBDRO NC(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000268898447 255490993 /nfs/dbraw/zinc/49/09/93/255490993.db2.gz KVMAANUFGDLSQX-OAHLLOKOSA-N 1 0 331.416 2.551 20 5 EFBDRO COC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000188672807 533216395 /nfs/dbraw/zinc/21/63/95/533216395.db2.gz WRYFDKNRTKAFIR-UKRRQHHQSA-N 1 0 332.400 2.849 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cs1 ZINC000116350669 220955147 /nfs/dbraw/zinc/95/51/47/220955147.db2.gz VBXFONHOCJCJOE-CYBMUJFWSA-N 1 0 331.397 2.831 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000459793197 255934629 /nfs/dbraw/zinc/93/46/29/255934629.db2.gz TUVZOWWLCZFIAF-GJZGRUSLSA-N 1 0 334.372 2.509 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333363 221053858 /nfs/dbraw/zinc/05/38/58/221053858.db2.gz IBGRFAZZBBYQFB-STQMWFEESA-N 1 0 333.388 2.871 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000468746278 256018107 /nfs/dbraw/zinc/01/81/07/256018107.db2.gz FZUTVWHCBRWHQD-ODDCISTRSA-N 1 0 331.416 2.987 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117778186 221088633 /nfs/dbraw/zinc/08/86/33/221088633.db2.gz WXIZVGNMEPRRPH-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117799375 221091009 /nfs/dbraw/zinc/09/10/09/221091009.db2.gz WYZVYRDSLXJUJZ-AWEZNQCLSA-N 1 0 339.823 2.781 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117806922 221091094 /nfs/dbraw/zinc/09/10/94/221091094.db2.gz ZHYARKJXOYYIKR-LBPRGKRZSA-N 1 0 339.823 2.591 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117799374 221091293 /nfs/dbraw/zinc/09/12/93/221091293.db2.gz WYZVYRDSLXJUJZ-CQSZACIVSA-N 1 0 339.823 2.781 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154891265 224322437 /nfs/dbraw/zinc/32/24/37/224322437.db2.gz PLHIBPYAEDCASR-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000119070772 221236869 /nfs/dbraw/zinc/23/68/69/221236869.db2.gz UUIHMMXJIMVJHK-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000119169578 221257926 /nfs/dbraw/zinc/25/79/26/221257926.db2.gz CRINQIJMLDYKLH-IOASZLSFSA-N 1 0 331.416 2.898 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000119277586 221282755 /nfs/dbraw/zinc/28/27/55/221282755.db2.gz YPSNCKTVCOQUQR-YRGRVCCFSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181401912 533225491 /nfs/dbraw/zinc/22/54/91/533225491.db2.gz SSFGQGORFCWVAW-CYBMUJFWSA-N 1 0 348.403 2.553 20 5 EFBDRO CCCC(O)(CCC)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000119706177 221381658 /nfs/dbraw/zinc/38/16/58/221381658.db2.gz UZPNRYATOXGEMB-UHFFFAOYSA-N 1 0 326.393 2.730 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000119790135 221401005 /nfs/dbraw/zinc/40/10/05/221401005.db2.gz FAIJNKIWUQJDEP-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO COc1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000159664532 533534441 /nfs/dbraw/zinc/53/44/41/533534441.db2.gz NAUDTFPAPIFRQN-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132661427 533539177 /nfs/dbraw/zinc/53/91/77/533539177.db2.gz USJKBZWJNDJQDH-RISCZKNCSA-N 1 0 335.404 2.858 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635476 285663376 /nfs/dbraw/zinc/66/33/76/285663376.db2.gz ZPLQQKYSEZVJJY-DJIMGWMZSA-N 1 0 344.415 2.822 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344466741 142022133 /nfs/dbraw/zinc/02/21/33/142022133.db2.gz SNZXZCKVPIOMFB-CHWSQXEVSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344468816 142022968 /nfs/dbraw/zinc/02/29/68/142022968.db2.gz VAHFEFKKDYJXEL-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000344477154 142024551 /nfs/dbraw/zinc/02/45/51/142024551.db2.gz AXGMLYKUQHDWME-CQSZACIVSA-N 1 0 345.443 2.907 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344479040 142024612 /nfs/dbraw/zinc/02/46/12/142024612.db2.gz YXBODNRKNJLFKC-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCOC3)s2)cc1 ZINC000344478609 142024656 /nfs/dbraw/zinc/02/46/56/142024656.db2.gz IWYQUYUAVLGQQI-XJKSGUPXSA-N 1 0 348.424 2.810 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000344480906 142024947 /nfs/dbraw/zinc/02/49/47/142024947.db2.gz ZPBZGFSKTGCOIR-TXEJJXNPSA-N 1 0 337.445 2.871 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)s1 ZINC000344489083 142026670 /nfs/dbraw/zinc/02/66/70/142026670.db2.gz ZCLHGRPCHRDNBS-WBMJQRKESA-N 1 0 348.424 2.810 20 5 EFBDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000344610491 142049045 /nfs/dbraw/zinc/04/90/45/142049045.db2.gz KWVXNNCFJSFLOK-AWEZNQCLSA-N 1 0 329.356 2.565 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1C ZINC000344612919 142049608 /nfs/dbraw/zinc/04/96/08/142049608.db2.gz KELQFEKDFYCTNK-INIZCTEOSA-N 1 0 349.431 2.762 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344678392 142060034 /nfs/dbraw/zinc/06/00/34/142060034.db2.gz XCLGITBXSJQWJR-MRXNPFEDSA-N 1 0 333.432 2.682 20 5 EFBDRO CNc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000344717464 142066455 /nfs/dbraw/zinc/06/64/55/142066455.db2.gz AKLLTYNSDROWNY-CYBMUJFWSA-N 1 0 346.431 2.583 20 5 EFBDRO COc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000344720830 142067437 /nfs/dbraw/zinc/06/74/37/142067437.db2.gz GZSYEJCIKNWAGV-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCS(C)(=O)=O ZINC000344801030 142080543 /nfs/dbraw/zinc/08/05/43/142080543.db2.gz WEQKWKZXYFRLRP-KAMYIIQDSA-N 1 0 340.445 2.803 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCC1=O ZINC000344842359 142086740 /nfs/dbraw/zinc/08/67/40/142086740.db2.gz BBWNSJIBCVVXJM-NTCAYCPXSA-N 1 0 331.416 2.990 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000344871889 142090352 /nfs/dbraw/zinc/09/03/52/142090352.db2.gz ZKIQQFSMMPEMQB-UVTDQMKNSA-N 1 0 339.395 2.929 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000344916295 142096909 /nfs/dbraw/zinc/09/69/09/142096909.db2.gz VPNWLMNMWNRBBC-DDITZMBXSA-N 1 0 333.432 2.556 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000345935214 142120287 /nfs/dbraw/zinc/12/02/87/142120287.db2.gz APRPFZXTTWVNNM-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000345974127 142126702 /nfs/dbraw/zinc/12/67/02/142126702.db2.gz XPXQNQLNHSOQTB-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346136837 142153079 /nfs/dbraw/zinc/15/30/79/142153079.db2.gz LRTYMUBYZNJCBH-IIYDPXPESA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346220455 142170540 /nfs/dbraw/zinc/17/05/40/142170540.db2.gz KUSCXAKPOLMSKR-DMDPSCGWSA-N 1 0 337.445 2.767 20 5 EFBDRO CC(=O)NC1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000346279637 142182469 /nfs/dbraw/zinc/18/24/69/142182469.db2.gz SWNMZBIJUWBQJG-ALCCZGGFSA-N 1 0 331.416 2.987 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346303001 142186648 /nfs/dbraw/zinc/18/66/48/142186648.db2.gz WGWIJAMNLPTRME-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000346307471 142187291 /nfs/dbraw/zinc/18/72/91/142187291.db2.gz YBBUCSOKVOITGD-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000346313397 142188074 /nfs/dbraw/zinc/18/80/74/142188074.db2.gz MFOSKAVNMWEYDP-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346427600 142203381 /nfs/dbraw/zinc/20/33/81/142203381.db2.gz VGVKERQVNGFLRM-TVQRCGJNSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[C@@H]1CN(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000347617592 142245442 /nfs/dbraw/zinc/24/54/42/142245442.db2.gz WACRFGXKGIPADE-OAHLLOKOSA-N 1 0 349.431 2.559 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c2c(c1)COCO2 ZINC000347632175 142248089 /nfs/dbraw/zinc/24/80/89/142248089.db2.gz QTNHZTWJHRBMKC-KRWDZBQOSA-N 1 0 348.399 2.852 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000347906816 142290653 /nfs/dbraw/zinc/29/06/53/142290653.db2.gz CZJNFNXZLDOFSL-UHFFFAOYSA-N 1 0 332.404 2.880 20 5 EFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000347920630 142293361 /nfs/dbraw/zinc/29/33/61/142293361.db2.gz MNBQFYANASXBFD-UHFFFAOYSA-N 1 0 332.360 2.506 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943151 142297439 /nfs/dbraw/zinc/29/74/39/142297439.db2.gz OBLKOQJLBCMAKH-CHWSQXEVSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000347987127 142304544 /nfs/dbraw/zinc/30/45/44/142304544.db2.gz BAHUSWIZYDIZKE-NWDGAFQWSA-N 1 0 335.379 2.604 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCCO)Cc1ccccn1 ZINC000349326350 142321049 /nfs/dbraw/zinc/32/10/49/142321049.db2.gz DMVRTQQEKNDFLG-YVMONPNESA-N 1 0 327.384 2.888 20 5 EFBDRO C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349979953 142385832 /nfs/dbraw/zinc/38/58/32/142385832.db2.gz XYPYKILRRIZQLW-HOCLYGCPSA-N 1 0 348.447 2.929 20 5 EFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000350039516 142393484 /nfs/dbraw/zinc/39/34/84/142393484.db2.gz IDMSNYCSDGSMHP-HZPDHXFCSA-N 1 0 336.436 2.851 20 5 EFBDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000350052554 142394848 /nfs/dbraw/zinc/39/48/48/142394848.db2.gz XNVKDMNGRSEMHB-UHFFFAOYSA-N 1 0 346.387 2.558 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000341194628 145010259 /nfs/dbraw/zinc/01/02/59/145010259.db2.gz HULKDMDYXIXDRB-ZJUUUORDSA-N 1 0 326.784 2.852 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000341238169 145018654 /nfs/dbraw/zinc/01/86/54/145018654.db2.gz UKSYEYDVFXIWGO-UHFFFAOYSA-N 1 0 327.450 2.635 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cnccn3)cs2)c1 ZINC000341326404 145033758 /nfs/dbraw/zinc/03/37/58/145033758.db2.gz WZZYOVYWMZKYOK-UHFFFAOYSA-N 1 0 341.396 2.841 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]1CCCC2 ZINC000342143629 145069980 /nfs/dbraw/zinc/06/99/80/145069980.db2.gz VSHFHPIKRRZWLG-SUMWQHHRSA-N 1 0 336.363 2.899 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@H](C)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000342204281 145079983 /nfs/dbraw/zinc/07/99/83/145079983.db2.gz PAURDXPOSYNBIX-GFCCVEGCSA-N 1 0 333.388 2.903 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000342243286 145086597 /nfs/dbraw/zinc/08/65/97/145086597.db2.gz ITKWAUNCTDJRJS-CHWSQXEVSA-N 1 0 338.404 2.500 20 5 EFBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000342323585 145100719 /nfs/dbraw/zinc/10/07/19/145100719.db2.gz YDRZJXMMUSSDBM-AWEZNQCLSA-N 1 0 339.461 2.676 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000342345374 145105319 /nfs/dbraw/zinc/10/53/19/145105319.db2.gz GQISZGCTELNIGD-GHMZBOCLSA-N 1 0 335.433 2.909 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342350436 145106736 /nfs/dbraw/zinc/10/67/36/145106736.db2.gz YGTAXCXHLQLMBE-ZIAGYGMSSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342361294 145108765 /nfs/dbraw/zinc/10/87/65/145108765.db2.gz SQMICFZXYADXBG-JOYOIKCWSA-N 1 0 326.784 2.852 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000342592929 145155388 /nfs/dbraw/zinc/15/53/88/145155388.db2.gz JMBXWHOKXQPQKH-QWHCGFSZSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000342610262 145158888 /nfs/dbraw/zinc/15/88/88/145158888.db2.gz AIQFVNNBRLEGHY-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000342655658 145167100 /nfs/dbraw/zinc/16/71/00/145167100.db2.gz NCZFBUODTBJLRJ-JQWIXIFHSA-N 1 0 340.811 2.530 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342715980 145178638 /nfs/dbraw/zinc/17/86/38/145178638.db2.gz DCHLLJRWJGHJEB-APYUEPQZSA-N 1 0 349.456 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000342724610 145179913 /nfs/dbraw/zinc/17/99/13/145179913.db2.gz KXZHXJWSWDIVKT-GJZGRUSLSA-N 1 0 345.374 2.781 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000342759726 145186507 /nfs/dbraw/zinc/18/65/07/145186507.db2.gz YOKWDCYINGOGMQ-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000342776045 145189643 /nfs/dbraw/zinc/18/96/43/145189643.db2.gz GLPNAQVVOAKAES-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO C[C@H]1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343614391 145252902 /nfs/dbraw/zinc/25/29/02/145252902.db2.gz YFEDLUSPTMIOFQ-WCBMZHEXSA-N 1 0 329.198 2.647 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343620344 145254006 /nfs/dbraw/zinc/25/40/06/145254006.db2.gz HAQAEOMBZYNISZ-MRXNPFEDSA-N 1 0 344.415 2.540 20 5 EFBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343654617 145263528 /nfs/dbraw/zinc/26/35/28/145263528.db2.gz TYAWUCRGCBHIGH-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccoc1 ZINC000343944314 145329957 /nfs/dbraw/zinc/32/99/57/145329957.db2.gz XNXWMWPWFJMARP-UHFFFAOYSA-N 1 0 331.328 2.618 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954719 145332338 /nfs/dbraw/zinc/33/23/38/145332338.db2.gz MOGNSLYKKBOBSW-AAEUAGOBSA-N 1 0 333.388 2.662 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344056139 145357290 /nfs/dbraw/zinc/35/72/90/145357290.db2.gz ITBLRUUUYVHBGP-CYBMUJFWSA-N 1 0 331.372 2.625 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344072050 145361179 /nfs/dbraw/zinc/36/11/79/145361179.db2.gz SDFQNTZAFMLKBQ-HNNXBMFYSA-N 1 0 329.400 2.606 20 5 EFBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344096977 145367226 /nfs/dbraw/zinc/36/72/26/145367226.db2.gz XMHSVPWMVRFAIT-ZDUSSCGKSA-N 1 0 340.445 2.737 20 5 EFBDRO CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000344095786 145367523 /nfs/dbraw/zinc/36/75/23/145367523.db2.gz ZGIACMGUROXOJL-UHFFFAOYSA-N 1 0 325.328 2.789 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100706 145368038 /nfs/dbraw/zinc/36/80/38/145368038.db2.gz NMRLAFZKFAWRQE-YOEHRIQHSA-N 1 0 329.400 2.822 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)COc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000344143526 145378175 /nfs/dbraw/zinc/37/81/75/145378175.db2.gz QYMNHJBQGWCWHC-KSSFIOAISA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344188935 145388039 /nfs/dbraw/zinc/38/80/39/145388039.db2.gz LWRPTVVPSCJSQA-ZDUSSCGKSA-N 1 0 337.395 2.976 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000344375923 145434278 /nfs/dbraw/zinc/43/42/78/145434278.db2.gz ZCAFQYONTCSDFI-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO Cc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000261541965 545619461 /nfs/dbraw/zinc/61/94/61/545619461.db2.gz NDDOLPPBCBPNCP-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO Cc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000261543808 545619679 /nfs/dbraw/zinc/61/96/79/545619679.db2.gz VCXBGUNJJLGSLA-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NCCC[NH2+]C3CCCCC3)c21 ZINC000347402623 145860431 /nfs/dbraw/zinc/86/04/31/145860431.db2.gz UKMPQMJMZXPRQF-UHFFFAOYSA-N 1 0 329.404 2.684 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348522147 145963569 /nfs/dbraw/zinc/96/35/69/145963569.db2.gz VSQOJXWRRJQKEN-AAEUAGOBSA-N 1 0 343.330 2.673 20 5 EFBDRO [NH3+]CCN(Cc1ccc(-n2cccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000348924881 146024168 /nfs/dbraw/zinc/02/41/68/146024168.db2.gz WIVIEQBYRZUZQQ-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO Cc1cccc2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])n21 ZINC000348920155 146024190 /nfs/dbraw/zinc/02/41/90/146024190.db2.gz IOJWDTDLUMRPRK-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)Cc1ccccc1 ZINC000349055457 146043767 /nfs/dbraw/zinc/04/37/67/146043767.db2.gz SONLDKIHYKVZEI-CQSZACIVSA-N 1 0 344.415 2.574 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000349303898 146077322 /nfs/dbraw/zinc/07/73/22/146077322.db2.gz ZKGGTMHEBZBAGK-UHFFFAOYSA-N 1 0 328.416 2.862 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000350785761 146090914 /nfs/dbraw/zinc/09/09/14/146090914.db2.gz XMOUXXKPAGICSU-MRXNPFEDSA-N 1 0 333.432 2.637 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351093062 146109782 /nfs/dbraw/zinc/10/97/82/146109782.db2.gz ANJCOSHSFOMLKE-INIZCTEOSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000351608909 146158095 /nfs/dbraw/zinc/15/80/95/146158095.db2.gz JDJBZOWDEBCFIY-JTQLQIEISA-N 1 0 326.372 2.832 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744749 146192883 /nfs/dbraw/zinc/19/28/83/146192883.db2.gz XCIHQYYXDXASGC-IAQYHMDHSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000351944906 146243467 /nfs/dbraw/zinc/24/34/67/146243467.db2.gz NOKQTOHTZNTSCZ-KBPBESRZSA-N 1 0 344.415 2.817 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353039794 146382798 /nfs/dbraw/zinc/38/27/98/146382798.db2.gz LTMYRDKCSKGHEH-WMZOPIPTSA-N 1 0 342.395 2.652 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000353226727 146426046 /nfs/dbraw/zinc/42/60/46/146426046.db2.gz RCFVMQIVJUVDCC-UHFFFAOYSA-N 1 0 348.399 2.817 20 5 EFBDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353483144 146491811 /nfs/dbraw/zinc/49/18/11/146491811.db2.gz NPEXBAGMBZRJGD-HRCADAONSA-N 1 0 337.468 2.985 20 5 EFBDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353483145 146492320 /nfs/dbraw/zinc/49/23/20/146492320.db2.gz NPEXBAGMBZRJGD-JYJNAYRXSA-N 1 0 337.468 2.985 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355584866 147004178 /nfs/dbraw/zinc/00/41/78/147004178.db2.gz PUENTVFHZORQPA-CQSZACIVSA-N 1 0 336.388 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000355599739 147008123 /nfs/dbraw/zinc/00/81/23/147008123.db2.gz NZZZSZLBTYDHOM-LSDHHAIUSA-N 1 0 348.399 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355608534 147010594 /nfs/dbraw/zinc/01/05/94/147010594.db2.gz PFVHQMFMAGKYIM-QWHCGFSZSA-N 1 0 336.388 2.672 20 5 EFBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355607204 147011286 /nfs/dbraw/zinc/01/12/86/147011286.db2.gz MRUAJSVLLHYUEI-CYBMUJFWSA-N 1 0 336.388 2.769 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355779260 147060828 /nfs/dbraw/zinc/06/08/28/147060828.db2.gz ZHEQXECWSDHUHY-OLZOCXBDSA-N 1 0 336.388 2.625 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000356289231 147202777 /nfs/dbraw/zinc/20/27/77/147202777.db2.gz VQOXBRPIKWBRSW-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356307815 147206736 /nfs/dbraw/zinc/20/67/36/147206736.db2.gz ZBQHVIYGPAXDEP-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000356348869 147219989 /nfs/dbraw/zinc/21/99/89/147219989.db2.gz UABUBKUVOSHQNP-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000356363748 147224557 /nfs/dbraw/zinc/22/45/57/147224557.db2.gz OXRGLQGBKPHBJO-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1c[nH]c2nccnc12 ZINC000356437552 147244539 /nfs/dbraw/zinc/24/45/39/147244539.db2.gz ZZXOYMDVGUPGRF-UHFFFAOYSA-N 1 0 331.763 2.803 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000356922056 147373988 /nfs/dbraw/zinc/37/39/88/147373988.db2.gz VIEQGCJATPPVAS-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+](C)C ZINC000359269244 148041678 /nfs/dbraw/zinc/04/16/78/148041678.db2.gz CHELXHVNTUOGNX-CYBMUJFWSA-N 1 0 346.431 2.642 20 5 EFBDRO CO[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000359386975 148072995 /nfs/dbraw/zinc/07/29/95/148072995.db2.gz DFCKUJLWTCJDDL-ZVZYQTTQSA-N 1 0 334.416 2.701 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCOCC1 ZINC000359433456 148083902 /nfs/dbraw/zinc/08/39/02/148083902.db2.gz XBDVQMSLFAXNDO-WMLDXEAASA-N 1 0 336.432 2.683 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCOCC1 ZINC000359433457 148084090 /nfs/dbraw/zinc/08/40/90/148084090.db2.gz XBDVQMSLFAXNDO-YOEHRIQHSA-N 1 0 336.432 2.683 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000359663213 148156192 /nfs/dbraw/zinc/15/61/92/148156192.db2.gz KGPMVGXODQCDGE-MRXNPFEDSA-N 1 0 349.412 2.613 20 5 EFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000359681717 148162189 /nfs/dbraw/zinc/16/21/89/148162189.db2.gz USPMSEPQVREFSW-INIZCTEOSA-N 1 0 349.412 2.508 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000359811237 148195462 /nfs/dbraw/zinc/19/54/62/148195462.db2.gz DFMJLGOYGBGGCL-LLVKDONJSA-N 1 0 333.413 2.890 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000360126886 148278117 /nfs/dbraw/zinc/27/81/17/148278117.db2.gz WIQXFJFOLZZPFJ-AWEZNQCLSA-N 1 0 348.447 2.998 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000360391200 148349737 /nfs/dbraw/zinc/34/97/37/148349737.db2.gz CXUXLMXPYIKKOY-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000360392218 148350491 /nfs/dbraw/zinc/35/04/91/148350491.db2.gz FYDVAUVNFFICJI-LLVKDONJSA-N 1 0 338.408 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CCC1CC2 ZINC000362339564 148802931 /nfs/dbraw/zinc/80/29/31/148802931.db2.gz HHKHXPUZBRCGQA-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO CCNC(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000362998467 148918724 /nfs/dbraw/zinc/91/87/24/148918724.db2.gz XANVVDVAIFDNJF-UVTDQMKNSA-N 1 0 331.416 2.894 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000364026453 149050930 /nfs/dbraw/zinc/05/09/30/149050930.db2.gz HAGIYJYZXQSSOQ-CQSZACIVSA-N 1 0 349.406 2.708 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000364064291 149059756 /nfs/dbraw/zinc/05/97/56/149059756.db2.gz QAMJCDCRUPUTRS-CYBMUJFWSA-N 1 0 343.387 2.967 20 5 EFBDRO CCCn1ncnc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364626162 149201349 /nfs/dbraw/zinc/20/13/49/149201349.db2.gz ZZWNCUCZVMXBQX-UHFFFAOYSA-N 1 0 345.403 2.640 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364790090 149243335 /nfs/dbraw/zinc/24/33/35/149243335.db2.gz BSVPSOQSQFCBCG-LBPRGKRZSA-N 1 0 338.795 2.950 20 5 EFBDRO CC(=O)Nc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365118077 149321526 /nfs/dbraw/zinc/32/15/26/149321526.db2.gz SRDLDOMUIAGSPU-UHFFFAOYSA-N 1 0 343.387 2.587 20 5 EFBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C(C)(C)C)n1 ZINC000365118098 149321741 /nfs/dbraw/zinc/32/17/41/149321741.db2.gz SYNRCQUPMNIIKE-UHFFFAOYSA-N 1 0 346.435 2.659 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366475176 149636590 /nfs/dbraw/zinc/63/65/90/149636590.db2.gz MJJBUJOHIURBOZ-QGZVFWFLSA-N 1 0 335.404 2.814 20 5 EFBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000368001816 150006460 /nfs/dbraw/zinc/00/64/60/150006460.db2.gz ZQXGUIHNBYMZMV-ZWKOTPCHSA-N 1 0 343.427 2.722 20 5 EFBDRO C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000368325161 150094982 /nfs/dbraw/zinc/09/49/82/150094982.db2.gz XWFZPYAEYDJMPM-OCCSQVGLSA-N 1 0 335.379 2.534 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000368490391 150131702 /nfs/dbraw/zinc/13/17/02/150131702.db2.gz ALURRKUHVONURR-OAHLLOKOSA-N 1 0 325.368 2.683 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000368510991 150137304 /nfs/dbraw/zinc/13/73/04/150137304.db2.gz ZNWQTIAXHXBZCZ-LXXRFIIISA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564809 150150547 /nfs/dbraw/zinc/15/05/47/150150547.db2.gz WAEMYLHTURYNSR-CZUORRHYSA-N 1 0 344.415 2.820 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000368705876 150186668 /nfs/dbraw/zinc/18/66/68/150186668.db2.gz AGJOIJFRKQNPQG-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO O=C(c1ccco1)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368911898 150235614 /nfs/dbraw/zinc/23/56/14/150235614.db2.gz QPXKCQUOLVFJDD-UHFFFAOYSA-N 1 0 329.356 2.536 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000369223811 150304277 /nfs/dbraw/zinc/30/42/77/150304277.db2.gz HSILIEQBFDKNQX-KMFMINBZSA-N 1 0 331.416 2.659 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)C1CC1 ZINC000370661433 150643713 /nfs/dbraw/zinc/64/37/13/150643713.db2.gz FXYVEGXEXZIOST-JKSUJKDBSA-N 1 0 326.400 2.786 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372729627 151052447 /nfs/dbraw/zinc/05/24/47/151052447.db2.gz VYOVMONDLHDHSQ-IRXDYDNUSA-N 1 0 330.388 2.507 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000372785899 151062340 /nfs/dbraw/zinc/06/23/40/151062340.db2.gz VYAQLYNHSYYISK-HIFRSBDPSA-N 1 0 329.404 2.566 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372965307 151088962 /nfs/dbraw/zinc/08/89/62/151088962.db2.gz LYEVCBCXEGMWTO-GXFFZTMASA-N 1 0 331.397 2.634 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000373930301 151252333 /nfs/dbraw/zinc/25/23/33/151252333.db2.gz XIGBEPGYOMOLQU-GJZGRUSLSA-N 1 0 344.415 2.526 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000374100957 151284205 /nfs/dbraw/zinc/28/42/05/151284205.db2.gz HNUJPRXYAGLXRR-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374161582 151293902 /nfs/dbraw/zinc/29/39/02/151293902.db2.gz OVUCLCJNFZBLQB-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374394994 151338786 /nfs/dbraw/zinc/33/87/86/151338786.db2.gz RNVYIYZTWJLQJZ-UONOGXRCSA-N 1 0 344.371 2.503 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000374508068 151359232 /nfs/dbraw/zinc/35/92/32/151359232.db2.gz QKLXALCBQLCGAK-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000374514825 151360758 /nfs/dbraw/zinc/36/07/58/151360758.db2.gz PYPHPFOGMWOFKY-NWANDNLSSA-N 1 0 347.415 2.798 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000374574557 151373169 /nfs/dbraw/zinc/37/31/69/151373169.db2.gz IIZNSTZCLONDCJ-ZIAGYGMSSA-N 1 0 329.404 2.566 20 5 EFBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703879 151399098 /nfs/dbraw/zinc/39/90/98/151399098.db2.gz WJRGFPQOTSDWLQ-UONOGXRCSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1sc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306535 152052988 /nfs/dbraw/zinc/05/29/88/152052988.db2.gz LEWLQCYBOISFOQ-KGLIPLIRSA-N 1 0 345.424 2.792 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000378509916 152104534 /nfs/dbraw/zinc/10/45/34/152104534.db2.gz BYBPZEMEZFDSCJ-VOTSOKGWSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CN1C ZINC000408070393 152149124 /nfs/dbraw/zinc/14/91/24/152149124.db2.gz NDMAONSCLFCJDZ-QWRGUYRKSA-N 1 0 333.413 2.974 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000408268641 152170084 /nfs/dbraw/zinc/17/00/84/152170084.db2.gz OEJMDFZMWTUBEV-MJBXVCDLSA-N 1 0 346.431 2.654 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411947740 286346346 /nfs/dbraw/zinc/34/63/46/286346346.db2.gz MQPAFPIHPORMPB-SJCJKPOMSA-N 1 0 338.404 2.775 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000176994723 292292589 /nfs/dbraw/zinc/29/25/89/292292589.db2.gz MHMGYNREQOZWJD-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177533928 286729604 /nfs/dbraw/zinc/72/96/04/286729604.db2.gz XFBQOQCRWLLIAU-RYUDHWBXSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000055757876 292427127 /nfs/dbraw/zinc/42/71/27/292427127.db2.gz AZBUBJQNVDVZBR-KCQAQPDRSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@H]([NH2+]CCOCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159089431 225144475 /nfs/dbraw/zinc/14/44/75/225144475.db2.gz ILHWJRLJNDYBKA-LBPRGKRZSA-N 1 0 336.413 2.983 20 5 EFBDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000159792927 225277875 /nfs/dbraw/zinc/27/78/75/225277875.db2.gz PNINNZFHCJXURB-UHFFFAOYSA-N 1 0 343.383 2.942 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159838424 225286926 /nfs/dbraw/zinc/28/69/26/225286926.db2.gz DGUQUJBETSSHAD-HZPDHXFCSA-N 1 0 341.411 2.943 20 5 EFBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159838547 225287054 /nfs/dbraw/zinc/28/70/54/225287054.db2.gz DGUQUJBETSSHAD-CVEARBPZSA-N 1 0 341.411 2.943 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000160181036 225356941 /nfs/dbraw/zinc/35/69/41/225356941.db2.gz MKGZBOVJJCNDQZ-NEPJUHHUSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccccc2Cl)CC1 ZINC000169311002 226240287 /nfs/dbraw/zinc/24/02/87/226240287.db2.gz QFERTPPSKSSGJU-UHFFFAOYSA-N 1 0 349.822 2.575 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120972791 221723859 /nfs/dbraw/zinc/72/38/59/221723859.db2.gz PMTCNLYPJWCFCQ-UHFFFAOYSA-N 1 0 342.399 2.746 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123117003 222218193 /nfs/dbraw/zinc/21/81/93/222218193.db2.gz OXWDHUHZUOLDIS-ZDUSSCGKSA-N 1 0 342.399 2.747 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123735712 222325037 /nfs/dbraw/zinc/32/50/37/222325037.db2.gz VLPZJHAMTXQFEF-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(CCC2)C1 ZINC000123493556 222286856 /nfs/dbraw/zinc/28/68/56/222286856.db2.gz XPMLNXGHNJXREM-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124211690 222392028 /nfs/dbraw/zinc/39/20/28/222392028.db2.gz GRNUSAZYBPXPIQ-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)NCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000052522299 292639511 /nfs/dbraw/zinc/63/95/11/292639511.db2.gz CLDJVWWQLJEHJT-KBXCAEBGSA-N 1 0 348.447 2.905 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027748494 272963359 /nfs/dbraw/zinc/96/33/59/272963359.db2.gz JHIAOFHUKWDOKG-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000039515027 272967264 /nfs/dbraw/zinc/96/72/64/272967264.db2.gz XKXQHAPNEZUAQT-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043143585 272970163 /nfs/dbraw/zinc/97/01/63/272970163.db2.gz UYWVTFJQZLWNML-CQSZACIVSA-N 1 0 348.428 2.758 20 5 EFBDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184738865 265025269 /nfs/dbraw/zinc/02/52/69/265025269.db2.gz VSIVFNUBOCSQTQ-LBPRGKRZSA-N 1 0 340.811 2.532 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000184830811 265028858 /nfs/dbraw/zinc/02/88/58/265028858.db2.gz FKSHXUUARDOGSP-IAGOWNOFSA-N 1 0 347.459 2.964 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000184830792 265029253 /nfs/dbraw/zinc/02/92/53/265029253.db2.gz FKSHXUUARDOGSP-SJORKVTESA-N 1 0 347.459 2.964 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000185406928 265041400 /nfs/dbraw/zinc/04/14/00/265041400.db2.gz VQRHKMFNJYJUNG-YXJHDRRASA-N 1 0 347.459 2.962 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCCCC1 ZINC000187332342 265093983 /nfs/dbraw/zinc/09/39/83/265093983.db2.gz NDLDJHQUZYDLGE-AWEZNQCLSA-N 1 0 349.431 2.939 20 5 EFBDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000188941267 265165646 /nfs/dbraw/zinc/16/56/46/265165646.db2.gz WGORAFJRKSJTQD-INIZCTEOSA-N 1 0 330.384 2.605 20 5 EFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189373617 265185430 /nfs/dbraw/zinc/18/54/30/265185430.db2.gz DKXXRSWNIAFPPB-ZDUSSCGKSA-N 1 0 335.404 2.941 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000189428675 265188670 /nfs/dbraw/zinc/18/86/70/265188670.db2.gz DIYLVGUWYZAHQD-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1F ZINC000192707640 265304983 /nfs/dbraw/zinc/30/49/83/265304983.db2.gz UZPWTHXECQJMJO-AWEZNQCLSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194239155 265367416 /nfs/dbraw/zinc/36/74/16/265367416.db2.gz MLYXKKINOQWLJU-UHFFFAOYSA-N 1 0 349.456 2.678 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270272728 265670190 /nfs/dbraw/zinc/67/01/90/265670190.db2.gz UFRJGBZAPOTCIJ-DKRLNXSXSA-N 1 0 343.427 2.798 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270773008 265802961 /nfs/dbraw/zinc/80/29/61/265802961.db2.gz HKCIHMOWKXQTQG-UHFFFAOYSA-N 1 0 330.388 2.603 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000271620679 266023055 /nfs/dbraw/zinc/02/30/55/266023055.db2.gz CYFPERRGEXNYDW-BBRMVZONSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271723162 266049851 /nfs/dbraw/zinc/04/98/51/266049851.db2.gz XGNRNECDQFHLPA-QGZVFWFLSA-N 1 0 343.383 2.555 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271769292 266057046 /nfs/dbraw/zinc/05/70/46/266057046.db2.gz GATILJJJTOVLCG-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000271993109 266117135 /nfs/dbraw/zinc/11/71/35/266117135.db2.gz GRQBZMGOEPCXNZ-RTBURBONSA-N 1 0 341.411 2.617 20 5 EFBDRO Cc1c(CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000272213957 266190861 /nfs/dbraw/zinc/19/08/61/266190861.db2.gz SCIIWWYCFPTNSJ-CQSZACIVSA-N 1 0 333.432 2.634 20 5 EFBDRO CC(C)(O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272586663 266316447 /nfs/dbraw/zinc/31/64/47/266316447.db2.gz LYGHJGHEAVMMAE-UHFFFAOYSA-N 1 0 333.388 2.931 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272593851 266319552 /nfs/dbraw/zinc/31/95/52/266319552.db2.gz OGFPNEWHDJAZFV-LZWOXQAQSA-N 1 0 346.431 2.782 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272649969 266338967 /nfs/dbraw/zinc/33/89/67/266338967.db2.gz DWQAZMQVZXXUOV-ZDUSSCGKSA-N 1 0 332.404 2.984 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272682466 266349495 /nfs/dbraw/zinc/34/94/95/266349495.db2.gz VRINLMCJMWMVQM-BXUZGUMPSA-N 1 0 341.358 2.722 20 5 EFBDRO Cc1cc(N(C)CCNC(=O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272788316 266382678 /nfs/dbraw/zinc/38/26/78/266382678.db2.gz BRGQRYOGRJAPKJ-UHFFFAOYSA-N 1 0 330.388 2.660 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000272843813 266395633 /nfs/dbraw/zinc/39/56/33/266395633.db2.gz OZNAKQUNBOYECB-ZDUSSCGKSA-N 1 0 348.403 2.553 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272985811 266432940 /nfs/dbraw/zinc/43/29/40/266432940.db2.gz MKKBEAOJJJYIGV-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO COCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273295420 266479007 /nfs/dbraw/zinc/47/90/07/266479007.db2.gz NEHNKMPLGSDIGM-HZPDHXFCSA-N 1 0 334.372 2.897 20 5 EFBDRO CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273523486 266512915 /nfs/dbraw/zinc/51/29/15/266512915.db2.gz SYISXYYXVYUUQI-UHFFFAOYSA-N 1 0 348.424 2.721 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105199324 273003894 /nfs/dbraw/zinc/00/38/94/273003894.db2.gz VYYZFJARZZMTQY-KRWDZBQOSA-N 1 0 346.431 2.755 20 5 EFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273959007 266587010 /nfs/dbraw/zinc/58/70/10/266587010.db2.gz NSSGUWISJHITMS-DZGCQCFKSA-N 1 0 327.388 2.850 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106786067 273006382 /nfs/dbraw/zinc/00/63/82/273006382.db2.gz LQSUISOSWMELIB-VFADXPBXSA-N 1 0 347.390 2.880 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000276296833 266958731 /nfs/dbraw/zinc/95/87/31/266958731.db2.gz XPGBNVLMZZBALC-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276367367 266973851 /nfs/dbraw/zinc/97/38/51/266973851.db2.gz JWSHZUQNQFJNPO-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000276506531 267002190 /nfs/dbraw/zinc/00/21/90/267002190.db2.gz YWFHSNRPHZMHAK-CQSZACIVSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)CC ZINC000276578802 267017262 /nfs/dbraw/zinc/01/72/62/267017262.db2.gz HVRDOHMLBKRGPR-CHWSQXEVSA-N 1 0 339.461 2.922 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276600290 267020576 /nfs/dbraw/zinc/02/05/76/267020576.db2.gz AYYTYEBXKKJVHH-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO CC(C)(CNC(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276650974 267029937 /nfs/dbraw/zinc/02/99/37/267029937.db2.gz OULHONGJMAUHHN-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO CC[NH+]1CCN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276668966 267032022 /nfs/dbraw/zinc/03/20/22/267032022.db2.gz SSXDGZMILQDQBY-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO Cc1c(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000276761356 267044442 /nfs/dbraw/zinc/04/44/42/267044442.db2.gz USBCAFNSZDFDBL-UHFFFAOYSA-N 1 0 325.368 2.844 20 5 EFBDRO CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826526 267056555 /nfs/dbraw/zinc/05/65/55/267056555.db2.gz ALHIECDZXKPITE-JKSUJKDBSA-N 1 0 333.432 2.910 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276866168 267064905 /nfs/dbraw/zinc/06/49/05/267064905.db2.gz HBJSHDPDKIPLHM-HOCLYGCPSA-N 1 0 338.429 2.700 20 5 EFBDRO CCOc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870491 267065219 /nfs/dbraw/zinc/06/52/19/267065219.db2.gz HNJKDRIWFRYMDZ-MRXNPFEDSA-N 1 0 333.432 2.911 20 5 EFBDRO CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276922274 267076966 /nfs/dbraw/zinc/07/69/66/267076966.db2.gz QFURAQFGUXYKGB-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000277043096 267103897 /nfs/dbraw/zinc/10/38/97/267103897.db2.gz HPULNJRWPSQYSF-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CCC1 ZINC000277116257 267117095 /nfs/dbraw/zinc/11/70/95/267117095.db2.gz IJERKXKQODEKMB-CYBMUJFWSA-N 1 0 349.431 2.951 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277132957 267119490 /nfs/dbraw/zinc/11/94/90/267119490.db2.gz JJWZPBCRBDTSKB-HNNXBMFYSA-N 1 0 348.447 2.654 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000277256249 267140382 /nfs/dbraw/zinc/14/03/82/267140382.db2.gz OKCKSRPYWVALIM-MRXNPFEDSA-N 1 0 345.443 2.812 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000277320877 267155139 /nfs/dbraw/zinc/15/51/39/267155139.db2.gz QVGDFDCAWYVIJZ-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000277377558 267167313 /nfs/dbraw/zinc/16/73/13/267167313.db2.gz VZKSNMDTLLBENP-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277381231 267168518 /nfs/dbraw/zinc/16/85/18/267168518.db2.gz ILDGWVNRDFTKPJ-ZDUSSCGKSA-N 1 0 348.403 2.595 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277458348 267183400 /nfs/dbraw/zinc/18/34/00/267183400.db2.gz KISAAYIXGBIWCQ-CQSZACIVSA-N 1 0 337.420 2.654 20 5 EFBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277543188 267193566 /nfs/dbraw/zinc/19/35/66/267193566.db2.gz XIYHSUCUTAZEIU-SWLSCSKDSA-N 1 0 340.445 2.783 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277555259 267196844 /nfs/dbraw/zinc/19/68/44/267196844.db2.gz ORXILRZKDRREGS-LBPRGKRZSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277555254 267196880 /nfs/dbraw/zinc/19/68/80/267196880.db2.gz ORXILRZKDRREGS-GFCCVEGCSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCCC[N@@H+]3C3CC3)cc2N1 ZINC000277567346 267200116 /nfs/dbraw/zinc/20/01/16/267200116.db2.gz ZKPFLBHUXRDNBK-CQSZACIVSA-N 1 0 344.415 2.908 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000277582981 267204233 /nfs/dbraw/zinc/20/42/33/267204233.db2.gz UVGRQHVIJYOCCL-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277632135 267217729 /nfs/dbraw/zinc/21/77/29/267217729.db2.gz XGANYNLFNBHGDP-CEUCYRDJSA-N 1 0 329.400 2.741 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000277645925 267221360 /nfs/dbraw/zinc/22/13/60/267221360.db2.gz UKLKVNGOPYCDFZ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CCCNC(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325992 273016393 /nfs/dbraw/zinc/01/63/93/273016393.db2.gz FVFJWNIMWWKHEP-UHFFFAOYSA-N 1 0 348.428 2.724 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000277687596 267235067 /nfs/dbraw/zinc/23/50/67/267235067.db2.gz ZENBQBBKMZBSLP-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000277691080 267236125 /nfs/dbraw/zinc/23/61/25/267236125.db2.gz GZYVNJXFQGNJHA-KRWDZBQOSA-N 1 0 346.387 2.772 20 5 EFBDRO O=C1CCCCN1CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000118852504 273016812 /nfs/dbraw/zinc/01/68/12/273016812.db2.gz DVEJZYUVBHXRDQ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000277818917 267271381 /nfs/dbraw/zinc/27/13/81/267271381.db2.gz QCIKOBCQPHWBDR-LBPRGKRZSA-N 1 0 326.828 2.604 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277848533 267279970 /nfs/dbraw/zinc/27/99/70/267279970.db2.gz SMEBUTGDRHKQDX-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277856233 267280555 /nfs/dbraw/zinc/28/05/55/267280555.db2.gz TVUSMWFVWVMRDN-GXTWGEPZSA-N 1 0 332.322 2.773 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000277856753 267282368 /nfs/dbraw/zinc/28/23/68/267282368.db2.gz TWCOSGUYUZXOKH-LBPRGKRZSA-N 1 0 326.828 2.604 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000277856749 267282515 /nfs/dbraw/zinc/28/25/15/267282515.db2.gz TWCOSGUYUZXOKH-GFCCVEGCSA-N 1 0 326.828 2.604 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000278240797 267376925 /nfs/dbraw/zinc/37/69/25/267376925.db2.gz NUOWZKQRQGWJAJ-OAHLLOKOSA-N 1 0 334.376 2.563 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278310748 267397861 /nfs/dbraw/zinc/39/78/61/267397861.db2.gz HFXPNRCYCQJUKO-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO COc1cc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1O ZINC000177049275 273035946 /nfs/dbraw/zinc/03/59/46/273035946.db2.gz GCBKPEPVTRSKNK-UHFFFAOYSA-N 1 0 332.356 2.950 20 5 EFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000184608606 273049639 /nfs/dbraw/zinc/04/96/39/273049639.db2.gz HGVVCTRVOUFGDQ-OAHLLOKOSA-N 1 0 347.371 2.802 20 5 EFBDRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000194602972 273070229 /nfs/dbraw/zinc/07/02/29/273070229.db2.gz CWQFUOZQEHQZGN-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000269640124 273086807 /nfs/dbraw/zinc/08/68/07/273086807.db2.gz NTZXREPBZAFQOG-NSHDSACASA-N 1 0 341.358 2.786 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000269641631 273086824 /nfs/dbraw/zinc/08/68/24/273086824.db2.gz JXJIVTNGHJZFBA-OAHLLOKOSA-N 1 0 337.420 2.571 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)NC ZINC000271119845 273099380 /nfs/dbraw/zinc/09/93/80/273099380.db2.gz JGYSXVRCNZXTNH-LBPRGKRZSA-N 1 0 325.434 2.581 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCCOC ZINC000271121955 273099539 /nfs/dbraw/zinc/09/95/39/273099539.db2.gz JRFQUGOSVYQACW-ZDUSSCGKSA-N 1 0 328.434 2.718 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NC(C)C ZINC000271144882 273101654 /nfs/dbraw/zinc/10/16/54/273101654.db2.gz PBPXXXZWUVEGLV-CYBMUJFWSA-N 1 0 339.461 2.970 20 5 EFBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271247672 273103408 /nfs/dbraw/zinc/10/34/08/273103408.db2.gz JVASTQRQGIKSPF-SWLSCSKDSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000271746953 273108029 /nfs/dbraw/zinc/10/80/29/273108029.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 1 0 334.464 2.614 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273807852 273120262 /nfs/dbraw/zinc/12/02/62/273120262.db2.gz ABKUVPVOQRUPOI-ZDUSSCGKSA-N 1 0 337.395 2.564 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000274252673 273127434 /nfs/dbraw/zinc/12/74/34/273127434.db2.gz IKAKSDWDPUTPTH-UHFFFAOYSA-N 1 0 332.404 2.914 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000274304995 273131268 /nfs/dbraw/zinc/13/12/68/273131268.db2.gz OTPKGHPEFNRMKB-MGPQQGTHSA-N 1 0 340.445 2.783 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000275517859 273137297 /nfs/dbraw/zinc/13/72/97/273137297.db2.gz VUIHYPOVNWYZFA-JKSUJKDBSA-N 1 0 337.445 2.619 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277411828 273153579 /nfs/dbraw/zinc/15/35/79/273153579.db2.gz ZJXJSVXDWCJYGY-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000277427196 273154352 /nfs/dbraw/zinc/15/43/52/273154352.db2.gz DJRZUSUZPLKFOW-AWEZNQCLSA-N 1 0 342.399 2.823 20 5 EFBDRO Cc1cc(NCC2(N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277528409 273160200 /nfs/dbraw/zinc/16/02/00/273160200.db2.gz VUGFTTRKLIRGHM-UHFFFAOYSA-N 1 0 342.399 2.728 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279156086 273182809 /nfs/dbraw/zinc/18/28/09/273182809.db2.gz TTYGUQGONQMEJX-SUMWQHHRSA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212915 273189159 /nfs/dbraw/zinc/18/91/59/273189159.db2.gz YJVIOEBPJRVYAJ-IRXDYDNUSA-N 1 0 334.416 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279389436 273210093 /nfs/dbraw/zinc/21/00/93/273210093.db2.gz UDZMUMGBPIDFCJ-DYVFJYSZSA-N 1 0 347.415 2.731 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279745591 273248842 /nfs/dbraw/zinc/24/88/42/273248842.db2.gz KXTDXXWWRKIKHT-ZIAGYGMSSA-N 1 0 338.404 2.608 20 5 EFBDRO CC1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000279805744 273255431 /nfs/dbraw/zinc/25/54/31/273255431.db2.gz XDEICJRAVZYONE-ZDUSSCGKSA-N 1 0 340.445 2.552 20 5 EFBDRO CCC(=O)c1ccc(NC2CC[NH+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000280149320 273296184 /nfs/dbraw/zinc/29/61/84/273296184.db2.gz AYRGQXCINNZHKK-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)o1 ZINC000280150548 273296312 /nfs/dbraw/zinc/29/63/12/273296312.db2.gz AHEQVTRBULHHNX-UONOGXRCSA-N 1 0 346.383 2.589 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280154489 273296799 /nfs/dbraw/zinc/29/67/99/273296799.db2.gz RVIZQHLYTRBVKA-GFCCVEGCSA-N 1 0 332.429 2.838 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280156928 273297133 /nfs/dbraw/zinc/29/71/33/273297133.db2.gz CQJBCFAOEKEWHZ-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000280252753 273307454 /nfs/dbraw/zinc/30/74/54/273307454.db2.gz KTMSNVPUCRPHDR-CHWSQXEVSA-N 1 0 348.403 2.590 20 5 EFBDRO C[C@H](CO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000280260736 273308597 /nfs/dbraw/zinc/30/85/97/273308597.db2.gz CDTFRTHKLOTJPM-GFCCVEGCSA-N 1 0 346.387 2.628 20 5 EFBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280362123 273319900 /nfs/dbraw/zinc/31/99/00/273319900.db2.gz YDOLNTNVVXYGAR-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1 ZINC000280440627 273328234 /nfs/dbraw/zinc/32/82/34/273328234.db2.gz KJQRQXDXLYCYHM-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO Cc1cc(OCC(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000280473517 273331841 /nfs/dbraw/zinc/33/18/41/273331841.db2.gz GSVQEAFDJGMONT-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@@H](CO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000280510837 273335664 /nfs/dbraw/zinc/33/56/64/273335664.db2.gz NNXVMVFWRMZMDG-LBPRGKRZSA-N 1 0 346.387 2.628 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280529582 273337478 /nfs/dbraw/zinc/33/74/78/273337478.db2.gz OVTDLTIAHFEPBX-QGZVFWFLSA-N 1 0 338.404 2.873 20 5 EFBDRO CCC(=O)c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280776777 273365540 /nfs/dbraw/zinc/36/55/40/273365540.db2.gz SKIOBNZAXVIAFW-HOCLYGCPSA-N 1 0 337.445 2.669 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C)=C(C)C1 ZINC000280789005 273366948 /nfs/dbraw/zinc/36/69/48/273366948.db2.gz QVWPHLBEQYKZMQ-UHFFFAOYSA-N 1 0 333.388 2.974 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280796127 273367798 /nfs/dbraw/zinc/36/77/98/273367798.db2.gz VEUHIJVHJGOPET-UHFFFAOYSA-N 1 0 343.431 2.631 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000280797336 273367808 /nfs/dbraw/zinc/36/78/08/273367808.db2.gz YAHKWIKWGFFRHY-AWEZNQCLSA-N 1 0 347.419 2.908 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[N@@H+](C)C(C)C)c1 ZINC000280851381 273373852 /nfs/dbraw/zinc/37/38/52/273373852.db2.gz AJELCJGQXAGNPH-UHFFFAOYSA-N 1 0 337.420 2.519 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280884538 273377559 /nfs/dbraw/zinc/37/75/59/273377559.db2.gz BDHTVOAEHOVVKL-DAOPMYJZSA-N 1 0 340.445 2.945 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])CC1 ZINC000280972587 273387181 /nfs/dbraw/zinc/38/71/81/273387181.db2.gz OLLBMFACYRMOLP-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000281034145 273393837 /nfs/dbraw/zinc/39/38/37/273393837.db2.gz VSUPJAYCAHEHDH-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000281124778 273403036 /nfs/dbraw/zinc/40/30/36/273403036.db2.gz BOEUMOGJKRIXHW-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([NH2+]C(C)C)CC1 ZINC000281187110 273409189 /nfs/dbraw/zinc/40/91/89/273409189.db2.gz NYVGJTOQPFIXOQ-UHFFFAOYSA-N 1 0 335.404 2.657 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CC[NH+](C)C)cc1 ZINC000281445463 273435999 /nfs/dbraw/zinc/43/59/99/273435999.db2.gz KMXALIRYPJZPJG-UHFFFAOYSA-N 1 0 331.420 2.836 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281898641 273484136 /nfs/dbraw/zinc/48/41/36/273484136.db2.gz HYEZBKBIWITIRA-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282146502 273520338 /nfs/dbraw/zinc/52/03/38/273520338.db2.gz SHIKMFFGTSXLSZ-XJKSGUPXSA-N 1 0 347.415 2.861 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282476961 273568387 /nfs/dbraw/zinc/56/83/87/273568387.db2.gz WRKKQIASHXKGPX-SAHAZLINSA-N 1 0 326.418 2.555 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000360882010 273587652 /nfs/dbraw/zinc/58/76/52/273587652.db2.gz BSKFGVAQNCQFQI-SJORKVTESA-N 1 0 334.416 2.694 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000282851083 273629176 /nfs/dbraw/zinc/62/91/76/273629176.db2.gz LOUSEIQWKSXHRK-GFCCVEGCSA-N 1 0 337.763 2.874 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000282885797 273634966 /nfs/dbraw/zinc/63/49/66/273634966.db2.gz RTXRGMNXUXJEIT-UHFFFAOYSA-N 1 0 344.371 2.702 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412154750 273639079 /nfs/dbraw/zinc/63/90/79/273639079.db2.gz NTHAZBBFAHUMBB-FHLIZLRMSA-N 1 0 345.443 2.889 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000283838404 273766137 /nfs/dbraw/zinc/76/61/37/273766137.db2.gz GNPXSNCFDRGBFB-AWEZNQCLSA-N 1 0 349.431 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000283890766 273771721 /nfs/dbraw/zinc/77/17/21/273771721.db2.gz IUKBXYWLQJGLDW-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285115378 273944497 /nfs/dbraw/zinc/94/44/97/273944497.db2.gz KXUGRRZOLCAUEO-NSHDSACASA-N 1 0 337.811 2.796 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285154986 273951261 /nfs/dbraw/zinc/95/12/61/273951261.db2.gz MEDBECGHTITDCQ-UHFFFAOYSA-N 1 0 329.360 2.556 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168128 273954039 /nfs/dbraw/zinc/95/40/39/273954039.db2.gz MTUITLLHJCCWLJ-SJKOYZFVSA-N 1 0 345.399 2.960 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168115 273954046 /nfs/dbraw/zinc/95/40/46/273954046.db2.gz MTUITLLHJCCWLJ-PXAZEXFGSA-N 1 0 345.399 2.960 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000285510227 274014825 /nfs/dbraw/zinc/01/48/25/274014825.db2.gz JSHCKTSNGWXMFW-QGZVFWFLSA-N 1 0 328.368 2.831 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285551427 274023772 /nfs/dbraw/zinc/02/37/72/274023772.db2.gz QTGCOSVWYQCCTO-XYPWUTKMSA-N 1 0 347.415 2.518 20 5 EFBDRO COc1cccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000285567383 274026882 /nfs/dbraw/zinc/02/68/82/274026882.db2.gz JPHDIIZBOYFMTR-KRWDZBQOSA-N 1 0 330.388 2.900 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436402879 274027516 /nfs/dbraw/zinc/02/75/16/274027516.db2.gz CHBKBKUQVNNESD-SNVBAGLBSA-N 1 0 348.325 2.531 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285614534 274038255 /nfs/dbraw/zinc/03/82/55/274038255.db2.gz QFSWKJWHZWAWHC-SWLSCSKDSA-N 1 0 334.376 2.562 20 5 EFBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285619116 274039375 /nfs/dbraw/zinc/03/93/75/274039375.db2.gz QNJAEBYKFHOSIZ-OLMNPRSZSA-N 1 0 344.415 2.625 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179141269 274039613 /nfs/dbraw/zinc/03/96/13/274039613.db2.gz ITQBBZNBRXWVNV-UWWQBHOKSA-N 1 0 336.432 2.683 20 5 EFBDRO COCCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000337554157 274040793 /nfs/dbraw/zinc/04/07/93/274040793.db2.gz QECHSITYHCSMHK-KRWDZBQOSA-N 1 0 344.415 2.950 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000285629639 274041375 /nfs/dbraw/zinc/04/13/75/274041375.db2.gz XCCAGXBZGFGCGY-UKRRQHHQSA-N 1 0 344.415 2.758 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835846 274084335 /nfs/dbraw/zinc/08/43/35/274084335.db2.gz XZZOWGRMTQWEOR-BXUZGUMPSA-N 1 0 347.337 2.509 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647576 274087124 /nfs/dbraw/zinc/08/71/24/274087124.db2.gz MTZJLIPRWMXIQG-SJLPKXTDSA-N 1 0 347.415 2.591 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000285912729 274099105 /nfs/dbraw/zinc/09/91/05/274099105.db2.gz SKJPNFFTJLFTNG-FNHJVCLDSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285985162 274112303 /nfs/dbraw/zinc/11/23/03/274112303.db2.gz XKQAOISHKHXRNW-UKRRQHHQSA-N 1 0 349.456 2.772 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286120658 274137535 /nfs/dbraw/zinc/13/75/35/274137535.db2.gz MGSIUBHXWMPKKA-UHFFFAOYSA-N 1 0 331.376 2.528 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000286206356 274153711 /nfs/dbraw/zinc/15/37/11/274153711.db2.gz SJMJJBNDIIIUFC-OLZOCXBDSA-N 1 0 337.445 2.805 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286246172 274161420 /nfs/dbraw/zinc/16/14/20/274161420.db2.gz UZRPDTUGMZHFNW-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286325210 274178726 /nfs/dbraw/zinc/17/87/26/274178726.db2.gz WTVLBXQKFYYXOL-HEHGZKQESA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]([NH3+])c1ccccc1 ZINC000150845234 274195114 /nfs/dbraw/zinc/19/51/14/274195114.db2.gz DUWHQDSAAKHFDK-SJKOYZFVSA-N 1 0 325.368 2.820 20 5 EFBDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000362595235 274197774 /nfs/dbraw/zinc/19/77/74/274197774.db2.gz AXMHVBFAVZLLIQ-ZDUSSCGKSA-N 1 0 337.420 2.599 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000286431628 274199899 /nfs/dbraw/zinc/19/98/99/274199899.db2.gz BQEKRFDZYZROHX-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CC[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000286480846 274210343 /nfs/dbraw/zinc/21/03/43/274210343.db2.gz LHESUIPTLCQJJH-CQSZACIVSA-N 1 0 344.415 2.818 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](CC3CC3)CC2)s1 ZINC000286488454 274211613 /nfs/dbraw/zinc/21/16/13/274211613.db2.gz VCAMHKRDFBSZMN-UHFFFAOYSA-N 1 0 333.417 2.886 20 5 EFBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccn1 ZINC000361146169 274247169 /nfs/dbraw/zinc/24/71/69/274247169.db2.gz AMOGBJFACZWZFO-GFCCVEGCSA-N 1 0 342.355 2.639 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000286702750 274255128 /nfs/dbraw/zinc/25/51/28/274255128.db2.gz AFDPASFULCMMHI-HUUCEWRRSA-N 1 0 331.416 2.909 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110559606 274270954 /nfs/dbraw/zinc/27/09/54/274270954.db2.gz WRJSQLWOMRMVAH-WDEREUQCSA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000110559603 274271097 /nfs/dbraw/zinc/27/10/97/274271097.db2.gz WRJSQLWOMRMVAH-GHMZBOCLSA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192632099 274287117 /nfs/dbraw/zinc/28/71/17/274287117.db2.gz NFFXHKXVLGHQKD-CJNGLKHVSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000286931215 274303714 /nfs/dbraw/zinc/30/37/14/274303714.db2.gz LFMWDTQBVHOUCB-AWEZNQCLSA-N 1 0 344.358 2.844 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000287019572 274323429 /nfs/dbraw/zinc/32/34/29/274323429.db2.gz IERZLYSKMPBSBO-WBMJQRKESA-N 1 0 343.387 2.803 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287025543 274324750 /nfs/dbraw/zinc/32/47/50/274324750.db2.gz IBCKMRDJIXAGFO-SJCJKPOMSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287025526 274324791 /nfs/dbraw/zinc/32/47/91/274324791.db2.gz IBCKMRDJIXAGFO-PXAZEXFGSA-N 1 0 342.399 2.775 20 5 EFBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000287086734 274338587 /nfs/dbraw/zinc/33/85/87/274338587.db2.gz KSGMKTASSUAAIZ-ZFWWWQNUSA-N 1 0 347.415 2.611 20 5 EFBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000287086729 274338667 /nfs/dbraw/zinc/33/86/67/274338667.db2.gz KSGMKTASSUAAIZ-HIFRSBDPSA-N 1 0 347.415 2.611 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287138917 274351653 /nfs/dbraw/zinc/35/16/53/274351653.db2.gz ZCZKHAUXYPXUMS-DZGCQCFKSA-N 1 0 332.404 2.994 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000287149224 274354364 /nfs/dbraw/zinc/35/43/64/274354364.db2.gz SQXUQCYHTNJIPH-XJKSGUPXSA-N 1 0 340.445 2.850 20 5 EFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000135264946 274361994 /nfs/dbraw/zinc/36/19/94/274361994.db2.gz LJNXBBXOOOEVBP-NXEZZACHSA-N 1 0 328.210 2.886 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000351509283 274362598 /nfs/dbraw/zinc/36/25/98/274362598.db2.gz LDZMHXRQDQGRLI-NXEZZACHSA-N 1 0 328.210 2.886 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287296072 274387854 /nfs/dbraw/zinc/38/78/54/274387854.db2.gz UCJDSGULMVOXIL-IUODEOHRSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287296091 274387891 /nfs/dbraw/zinc/38/78/91/274387891.db2.gz UCJDSGULMVOXIL-WFASDCNBSA-N 1 0 342.399 2.775 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000287413414 274415562 /nfs/dbraw/zinc/41/55/62/274415562.db2.gz PZMVZDFOIMGAIB-UHFFFAOYSA-N 1 0 344.371 2.624 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421526 274417001 /nfs/dbraw/zinc/41/70/01/274417001.db2.gz KBYITMICJMBIEB-FRFSOERESA-N 1 0 344.415 2.680 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287511787 274436193 /nfs/dbraw/zinc/43/61/93/274436193.db2.gz JVRVVNVNBVCDOQ-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266292586 274518393 /nfs/dbraw/zinc/51/83/93/274518393.db2.gz KGTRMOALSJVZIG-GARJFASQSA-N 1 0 341.795 2.590 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000288041800 274519618 /nfs/dbraw/zinc/51/96/18/274519618.db2.gz DMWIEVPWFLOEJG-CQSZACIVSA-N 1 0 335.383 2.974 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000288264375 274559761 /nfs/dbraw/zinc/55/97/61/274559761.db2.gz YTSSTPKQYRQAMD-UHFFFAOYSA-N 1 0 347.419 2.672 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000288451503 274595950 /nfs/dbraw/zinc/59/59/50/274595950.db2.gz MZAGSTZSYJNQNE-UHFFFAOYSA-N 1 0 339.193 2.734 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288485613 274602525 /nfs/dbraw/zinc/60/25/25/274602525.db2.gz REDTUPFEPAEMGV-UHFFFAOYSA-N 1 0 325.384 2.671 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C1 ZINC000288552213 274616582 /nfs/dbraw/zinc/61/65/82/274616582.db2.gz GBKOCXZFRLKTDW-BWNDKRECSA-N 1 0 344.396 2.519 20 5 EFBDRO Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269235 274709096 /nfs/dbraw/zinc/70/90/96/274709096.db2.gz ZVSJNTAREAIBNU-MLGOLLRUSA-N 1 0 341.415 2.924 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289276297 274733738 /nfs/dbraw/zinc/73/37/38/274733738.db2.gz PQNDRZHWEVQARS-SHTZXODSSA-N 1 0 348.447 2.668 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000289290100 274735999 /nfs/dbraw/zinc/73/59/99/274735999.db2.gz HAXQTZQSECBZLH-HOTGVXAUSA-N 1 0 347.415 2.521 20 5 EFBDRO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000360769917 274740954 /nfs/dbraw/zinc/74/09/54/274740954.db2.gz CWLHNYZSXQYGKU-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000289352284 274745760 /nfs/dbraw/zinc/74/57/60/274745760.db2.gz NDFMCODRHCVWTQ-JKSUJKDBSA-N 1 0 349.431 2.767 20 5 EFBDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000289428109 274759008 /nfs/dbraw/zinc/75/90/08/274759008.db2.gz KEHHJHBEBFSPBP-UHFFFAOYSA-N 1 0 333.388 2.760 20 5 EFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000375717202 274893186 /nfs/dbraw/zinc/89/31/86/274893186.db2.gz DEVRJAZTOLMQAR-RDTXWAMCSA-N 1 0 341.415 2.574 20 5 EFBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000361077866 274995590 /nfs/dbraw/zinc/99/55/90/274995590.db2.gz DEVNFJQXRKBFBD-KGLIPLIRSA-N 1 0 345.424 2.927 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000362360464 275035031 /nfs/dbraw/zinc/03/50/31/275035031.db2.gz UKXBQPLONXXCEC-CQSZACIVSA-N 1 0 342.374 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152442047 275036234 /nfs/dbraw/zinc/03/62/34/275036234.db2.gz MCQZLDLIBODKRG-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000364610754 275040699 /nfs/dbraw/zinc/04/06/99/275040699.db2.gz FBAWFYASCMZBTC-JTQLQIEISA-N 1 0 330.310 2.683 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000094006586 275041426 /nfs/dbraw/zinc/04/14/26/275041426.db2.gz URMPQGFYNQNANR-VHSXEESVSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227535116 275041874 /nfs/dbraw/zinc/04/18/74/275041874.db2.gz VURFLIZLRCPJED-NXEZZACHSA-N 1 0 341.209 2.791 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000433769317 275722891 /nfs/dbraw/zinc/72/28/91/275722891.db2.gz SVAJTURNBVGRJU-LLVKDONJSA-N 1 0 339.440 2.538 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000342442903 275776372 /nfs/dbraw/zinc/77/63/72/275776372.db2.gz PNEABLUVBTUABA-AWRCXPFVSA-N 1 0 343.427 2.845 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262558864 275817160 /nfs/dbraw/zinc/81/71/60/275817160.db2.gz UUTIYIRNJIFOBD-ZDUSSCGKSA-N 1 0 325.796 2.756 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449664171 275846700 /nfs/dbraw/zinc/84/67/00/275846700.db2.gz PMIURZUVCORXCC-CYBMUJFWSA-N 1 0 341.358 2.619 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345628823 276104186 /nfs/dbraw/zinc/10/41/86/276104186.db2.gz DOHMWRHGUINPIG-GFCCVEGCSA-N 1 0 330.388 2.603 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000348149626 276122971 /nfs/dbraw/zinc/12/29/71/276122971.db2.gz WURNNJCKWIZWLM-ZDUSSCGKSA-N 1 0 339.461 2.876 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000358300778 276251469 /nfs/dbraw/zinc/25/14/69/276251469.db2.gz IIKZNHXSZCNXAB-AWEZNQCLSA-N 1 0 346.431 2.786 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000262322299 276264226 /nfs/dbraw/zinc/26/42/26/276264226.db2.gz REVKVGIWAANRPL-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[NH2+]CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130018998 276264681 /nfs/dbraw/zinc/26/46/81/276264681.db2.gz JOCXUFAVKBDABS-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000174358426 276329286 /nfs/dbraw/zinc/32/92/86/276329286.db2.gz REFNCHJQZVEXTP-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197950 276694101 /nfs/dbraw/zinc/69/41/01/276694101.db2.gz YULPWUJQUWGESK-OCCSQVGLSA-N 1 0 329.404 2.804 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000360949571 276709347 /nfs/dbraw/zinc/70/93/47/276709347.db2.gz NQYCNEFBEGYRJM-UHFFFAOYSA-N 1 0 349.460 2.546 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000067203574 276847145 /nfs/dbraw/zinc/84/71/45/276847145.db2.gz JVAOHLJNEUXCEC-CQSZACIVSA-N 1 0 325.368 2.728 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413258179 276870963 /nfs/dbraw/zinc/87/09/63/276870963.db2.gz DWAIUNQUPDVUKR-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000237311872 277031723 /nfs/dbraw/zinc/03/17/23/277031723.db2.gz ZMMCXWZXQAUTRX-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO C[N@@H+]1CCCC12CCN(c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000445598138 277042714 /nfs/dbraw/zinc/04/27/14/277042714.db2.gz WUCZGZWEEHUDRV-UHFFFAOYSA-N 1 0 343.387 2.709 20 5 EFBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545819 277177015 /nfs/dbraw/zinc/17/70/15/277177015.db2.gz YGAUSOJBKJNDQH-OLZOCXBDSA-N 1 0 338.408 2.596 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000164127769 277182525 /nfs/dbraw/zinc/18/25/25/277182525.db2.gz BVYPDPJRWMZDRQ-OCCSQVGLSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000237199522 277275416 /nfs/dbraw/zinc/27/54/16/277275416.db2.gz ZMMCXWZXQAUTRX-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000179122054 277329779 /nfs/dbraw/zinc/32/97/79/277329779.db2.gz UUEYAPVMBNCNPP-CQSZACIVSA-N 1 0 336.388 2.910 20 5 EFBDRO COc1cc(CN(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000420330211 277376216 /nfs/dbraw/zinc/37/62/16/277376216.db2.gz PQDPHHJRTGQXDO-UHFFFAOYSA-N 1 0 345.346 2.518 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416104397 277389308 /nfs/dbraw/zinc/38/93/08/277389308.db2.gz JGWBHNMGAFAVBM-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344331876 277546400 /nfs/dbraw/zinc/54/64/00/277546400.db2.gz XRBOYKVMRWWTOD-AWEZNQCLSA-N 1 0 334.372 2.934 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245804736 278036015 /nfs/dbraw/zinc/03/60/15/278036015.db2.gz YIMIELVLGCPNFH-GJZGRUSLSA-N 1 0 335.448 2.605 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000076898004 278037347 /nfs/dbraw/zinc/03/73/47/278037347.db2.gz NSYQSYZEDOTYFD-HNNXBMFYSA-N 1 0 335.448 2.919 20 5 EFBDRO CC(=O)NC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347337126 278122878 /nfs/dbraw/zinc/12/28/78/278122878.db2.gz MCIIRPDZLGTNOS-CRPZLVSXSA-N 1 0 331.416 2.846 20 5 EFBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288795 278235210 /nfs/dbraw/zinc/23/52/10/278235210.db2.gz OCKFVHDCXJYHDX-XHDPSFHLSA-N 1 0 340.445 2.730 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529483 278369022 /nfs/dbraw/zinc/36/90/22/278369022.db2.gz QMZUMDMIPLJPPB-ZWNOBZJWSA-N 1 0 345.321 2.799 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343502852 278380856 /nfs/dbraw/zinc/38/08/56/278380856.db2.gz KVNVLEPSTUSLGH-WBMJQRKESA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183641112 278884196 /nfs/dbraw/zinc/88/41/96/278884196.db2.gz NUZLIQXASCSQGT-CHWSQXEVSA-N 1 0 349.435 2.868 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347285126 279088411 /nfs/dbraw/zinc/08/84/11/279088411.db2.gz GMQWLFWHBZASPG-WBMJQRKESA-N 1 0 329.404 2.530 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000345080177 279115229 /nfs/dbraw/zinc/11/52/29/279115229.db2.gz JXRRZQMEJMMVSW-CQSZACIVSA-N 1 0 336.436 2.509 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345032475 279122541 /nfs/dbraw/zinc/12/25/41/279122541.db2.gz LQTBNPMCQNTSBM-DZGCQCFKSA-N 1 0 348.447 2.807 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408438622 279205329 /nfs/dbraw/zinc/20/53/29/279205329.db2.gz JNQUAFJHYAPHJC-HZSPNIEDSA-N 1 0 331.416 2.741 20 5 EFBDRO C[C@H]([NH3+])C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000104348165 279394117 /nfs/dbraw/zinc/39/41/17/279394117.db2.gz FQLSOAHESWNJIM-VIFPVBQESA-N 1 0 328.210 2.921 20 5 EFBDRO NC(=O)CC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421349045 279559074 /nfs/dbraw/zinc/55/90/74/279559074.db2.gz HJCQVWIFMNBNJR-HIFRSBDPSA-N 1 0 331.416 2.551 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OC)CCOC1 ZINC000359408140 280156521 /nfs/dbraw/zinc/15/65/21/280156521.db2.gz CJELTYQCUJGXTP-BBRMVZONSA-N 1 0 340.445 2.861 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC[C@H]1O ZINC000447589160 280157836 /nfs/dbraw/zinc/15/78/36/280157836.db2.gz XDBLUPDJKXQDIN-JYYAWHABSA-N 1 0 336.436 2.806 20 5 EFBDRO Cc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363664956 280300075 /nfs/dbraw/zinc/30/00/75/280300075.db2.gz LKZVXRWNEPYCLK-FZKQIMNGSA-N 1 0 343.383 2.623 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000130407795 280374861 /nfs/dbraw/zinc/37/48/61/280374861.db2.gz LPLVARMDEUDBGK-FRFSOERESA-N 1 0 336.457 2.764 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423635250 280397526 /nfs/dbraw/zinc/39/75/26/280397526.db2.gz DWRNTRICGHRJSK-GOSISDBHSA-N 1 0 331.416 2.736 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000129984670 280604304 /nfs/dbraw/zinc/60/43/04/280604304.db2.gz WHIYCLQNSLVZKD-UHFFFAOYSA-N 1 0 335.448 2.607 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449094823 280777788 /nfs/dbraw/zinc/77/77/88/280777788.db2.gz ULXNIEYJEIQBSE-OAHLLOKOSA-N 1 0 341.411 2.854 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c([N+](=O)[O-])c1 ZINC000345708132 280916097 /nfs/dbraw/zinc/91/60/97/280916097.db2.gz IPFGWSWCFXZXQH-KBXCAEBGSA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000010017878 280946132 /nfs/dbraw/zinc/94/61/32/280946132.db2.gz DWPPVSHLGOOQHW-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO Cc1cccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352867005 281189368 /nfs/dbraw/zinc/18/93/68/281189368.db2.gz IEUZFDVJQMFFJN-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346257713 281256823 /nfs/dbraw/zinc/25/68/23/281256823.db2.gz HBZMVHMCJIPUJO-XNRPHZJLSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000194864455 281257019 /nfs/dbraw/zinc/25/70/19/281257019.db2.gz NXRYOAZNALSXCL-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000194484736 281257772 /nfs/dbraw/zinc/25/77/72/281257772.db2.gz IJCKOFFLEZHQRO-YDHLFZDLSA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248756254 281258578 /nfs/dbraw/zinc/25/85/78/281258578.db2.gz IJCKOFFLEZHQRO-UMVBOHGHSA-N 1 0 333.432 2.999 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000056465516 292658267 /nfs/dbraw/zinc/65/82/67/292658267.db2.gz OGQOCRXUSHMNJY-AWEZNQCLSA-N 1 0 348.428 2.758 20 5 EFBDRO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000349065146 289133743 /nfs/dbraw/zinc/13/37/43/289133743.db2.gz XVJHGGVMTFNXOE-CTEOGUNLSA-N 1 0 333.432 2.651 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172947730 289278687 /nfs/dbraw/zinc/27/86/87/289278687.db2.gz JYXCZZKTYVSLKJ-AWEZNQCLSA-N 1 0 333.413 2.618 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000074954489 292740831 /nfs/dbraw/zinc/74/08/31/292740831.db2.gz JCSDKXCJGDLYLS-LBPRGKRZSA-N 1 0 349.387 2.584 20 5 EFBDRO Cn1cc(C[NH2+]CCc2cscn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000076331574 292752641 /nfs/dbraw/zinc/75/26/41/292752641.db2.gz MZNIWBROJOZVMA-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO CCCNC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000078655403 292778847 /nfs/dbraw/zinc/77/88/47/292778847.db2.gz WEPJDCJFZRNBRS-UHFFFAOYSA-N 1 0 333.432 2.956 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000079292647 292786415 /nfs/dbraw/zinc/78/64/15/292786415.db2.gz UEPCJKGVDYZSTO-CQSZACIVSA-N 1 0 334.420 2.611 20 5 EFBDRO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000080095262 292798183 /nfs/dbraw/zinc/79/81/83/292798183.db2.gz BSETUHVXFYINKV-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000121012247 292936538 /nfs/dbraw/zinc/93/65/38/292936538.db2.gz PCRJKDLBLVPUHE-IAGOWNOFSA-N 1 0 334.416 2.701 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126597331 293044470 /nfs/dbraw/zinc/04/44/70/293044470.db2.gz LHFZFOMQEFPCNZ-UHFFFAOYSA-N 1 0 328.800 2.958 20 5 EFBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000126834459 293050703 /nfs/dbraw/zinc/05/07/03/293050703.db2.gz TXGSWFZRZYUGOE-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000127014814 293056473 /nfs/dbraw/zinc/05/64/73/293056473.db2.gz XYYYKIGDFOUPMF-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130402829 293164781 /nfs/dbraw/zinc/16/47/81/293164781.db2.gz PFYPPQHPHWISQE-CQSZACIVSA-N 1 0 331.416 2.960 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134381584 293288000 /nfs/dbraw/zinc/28/80/00/293288000.db2.gz NRWJKAARZHIOEG-HNNXBMFYSA-N 1 0 337.420 2.571 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COCc2ccco2)C2CC2)c1 ZINC000153300704 293369888 /nfs/dbraw/zinc/36/98/88/293369888.db2.gz SRLYOWZSUSGFKK-KRWDZBQOSA-N 1 0 346.383 2.730 20 5 EFBDRO CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000153850876 293397301 /nfs/dbraw/zinc/39/73/01/293397301.db2.gz DFYITYBFZZANIC-CQSZACIVSA-N 1 0 325.796 2.660 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255345189 293849432 /nfs/dbraw/zinc/84/94/32/293849432.db2.gz UKAPREZXURQLFX-XFXZXTDPSA-N 1 0 339.395 2.986 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000290060011 293988738 /nfs/dbraw/zinc/98/87/38/293988738.db2.gz YDUXNRMHDQATDT-OCCSQVGLSA-N 1 0 335.379 2.741 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCOCC1 ZINC000290106466 294000813 /nfs/dbraw/zinc/00/08/13/294000813.db2.gz XIBZQDSUYYXUSX-UHFFFAOYSA-N 1 0 335.187 2.533 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290276713 294045084 /nfs/dbraw/zinc/04/50/84/294045084.db2.gz ZAXYIKCYEOWUKB-INIZCTEOSA-N 1 0 331.416 2.619 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290339254 294060912 /nfs/dbraw/zinc/06/09/12/294060912.db2.gz FLAWIWXNFLSUGC-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290352241 294064548 /nfs/dbraw/zinc/06/45/48/294064548.db2.gz GBAKYCYNVIWKGG-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO C[N@H+](C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 ZINC000290742651 294172656 /nfs/dbraw/zinc/17/26/56/294172656.db2.gz HMVSZTTYSZSXMC-NSHDSACASA-N 1 0 339.442 2.752 20 5 EFBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845437 294201410 /nfs/dbraw/zinc/20/14/10/294201410.db2.gz JHCRJDMBLPCJOB-ZDVLTJLQSA-N 1 0 325.217 2.758 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865969 294206920 /nfs/dbraw/zinc/20/69/20/294206920.db2.gz ZDURZDMPSMLDMU-JSGCOSHPSA-N 1 0 346.431 2.770 20 5 EFBDRO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000290920375 294220457 /nfs/dbraw/zinc/22/04/57/294220457.db2.gz IFQKSFFSSLQBDH-SJCJKPOMSA-N 1 0 342.399 2.797 20 5 EFBDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291020130 294249575 /nfs/dbraw/zinc/24/95/75/294249575.db2.gz ASHDCMUUXWGHOL-CQSZACIVSA-N 1 0 349.431 2.663 20 5 EFBDRO COC(=O)C1=C(C)O[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292108400 294581570 /nfs/dbraw/zinc/58/15/70/294581570.db2.gz IRDHUXQWKAJELN-LBPRGKRZSA-N 1 0 334.372 2.655 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000292877901 294813133 /nfs/dbraw/zinc/81/31/33/294813133.db2.gz BUZFWVDBBMHAQX-AWEZNQCLSA-N 1 0 338.404 2.587 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000293008096 294851906 /nfs/dbraw/zinc/85/19/06/294851906.db2.gz IBGJDDPWWWDCKH-SNVBAGLBSA-N 1 0 328.210 2.745 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000293614387 295011798 /nfs/dbraw/zinc/01/17/98/295011798.db2.gz PWZUTEUUKAINDC-QGZVFWFLSA-N 1 0 332.375 2.812 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000293693444 295029116 /nfs/dbraw/zinc/02/91/16/295029116.db2.gz LJMIYVHFWDGCHP-RHSMWYFYSA-N 1 0 343.431 2.657 20 5 EFBDRO NC(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000268898446 295032261 /nfs/dbraw/zinc/03/22/61/295032261.db2.gz KVMAANUFGDLSQX-HNNXBMFYSA-N 1 0 331.416 2.551 20 5 EFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293720013 295035675 /nfs/dbraw/zinc/03/56/75/295035675.db2.gz PKRVEPGSAIDUNC-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733309 295037873 /nfs/dbraw/zinc/03/78/73/295037873.db2.gz MZPRZSPIOITCTG-STQMWFEESA-N 1 0 342.399 2.533 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293913843 295077888 /nfs/dbraw/zinc/07/78/88/295077888.db2.gz WZYSZGBQVDXBNC-HIFRSBDPSA-N 1 0 345.399 2.576 20 5 EFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000293952185 295086132 /nfs/dbraw/zinc/08/61/32/295086132.db2.gz OYYQZJPPCHZCOV-UHFFFAOYSA-N 1 0 349.431 2.908 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000294004127 295096630 /nfs/dbraw/zinc/09/66/30/295096630.db2.gz UIJLFIJPDZZZFM-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016164 295098298 /nfs/dbraw/zinc/09/82/98/295098298.db2.gz DNUIYTRUNQZZPE-IYJAJMOOSA-N 1 0 341.411 2.994 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000294030671 295100819 /nfs/dbraw/zinc/10/08/19/295100819.db2.gz OEVMBBPAEUXSMT-YWPBOTNQSA-N 1 0 346.427 2.765 20 5 EFBDRO Cc1cc(N2CCC[C@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294155863 295120194 /nfs/dbraw/zinc/12/01/94/295120194.db2.gz RFAJXVURDIZSPC-AWEZNQCLSA-N 1 0 342.399 2.959 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294226167 295131288 /nfs/dbraw/zinc/13/12/88/295131288.db2.gz RIJRPLNKFAGXIZ-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000294481620 295174154 /nfs/dbraw/zinc/17/41/54/295174154.db2.gz QHJYHAVSMQPNQL-CQSZACIVSA-N 1 0 348.428 2.678 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294485881 295174502 /nfs/dbraw/zinc/17/45/02/295174502.db2.gz RCMFKFIZDVJSKT-UHFFFAOYSA-N 1 0 347.415 2.547 20 5 EFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294500632 295176755 /nfs/dbraw/zinc/17/67/55/295176755.db2.gz JNXGQRKFGJNMBT-UHFFFAOYSA-N 1 0 348.447 2.967 20 5 EFBDRO CC(C)(CCC(=O)NCc1ccccc1C[NH+]1CCCC1)[N+](=O)[O-] ZINC000294528592 295181219 /nfs/dbraw/zinc/18/12/19/295181219.db2.gz UGGHRZMSCFKDCM-UHFFFAOYSA-N 1 0 333.432 2.734 20 5 EFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294544675 295183841 /nfs/dbraw/zinc/18/38/41/295183841.db2.gz JQLGIGXUCBSQAR-UHFFFAOYSA-N 1 0 335.448 2.721 20 5 EFBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294563296 295186396 /nfs/dbraw/zinc/18/63/96/295186396.db2.gz LQOSBMHRKWGICR-WCQYABFASA-N 1 0 345.321 2.747 20 5 EFBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294563292 295186591 /nfs/dbraw/zinc/18/65/91/295186591.db2.gz LQOSBMHRKWGICR-AAEUAGOBSA-N 1 0 345.321 2.747 20 5 EFBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294638203 295198580 /nfs/dbraw/zinc/19/85/80/295198580.db2.gz GEUSDRFPHVRNQR-ROENXZJSSA-N 1 0 339.461 2.907 20 5 EFBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294638202 295198688 /nfs/dbraw/zinc/19/86/88/295198688.db2.gz GEUSDRFPHVRNQR-NYSPKHBTSA-N 1 0 339.461 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCO)C2CCOCC2)c1 ZINC000294729615 295216250 /nfs/dbraw/zinc/21/62/50/295216250.db2.gz WEWIYRFKGQXRPG-UHFFFAOYSA-N 1 0 348.321 2.587 20 5 EFBDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757406 295221746 /nfs/dbraw/zinc/22/17/46/295221746.db2.gz MHYSDNHHMAEDCI-SNVBAGLBSA-N 1 0 336.779 2.955 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294799960 295229811 /nfs/dbraw/zinc/22/98/11/295229811.db2.gz BSBNZWNPAHWEIP-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000294827076 295233544 /nfs/dbraw/zinc/23/35/44/295233544.db2.gz AHHYOADWMVNVLC-SJKOYZFVSA-N 1 0 342.399 2.682 20 5 EFBDRO CSC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000294881043 295240505 /nfs/dbraw/zinc/24/05/05/295240505.db2.gz UTXKKGNIDLLJBT-LLVKDONJSA-N 1 0 325.434 2.740 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000294951744 295250073 /nfs/dbraw/zinc/25/00/73/295250073.db2.gz MOVBALMDAKXBOO-GXTWGEPZSA-N 1 0 337.807 2.805 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000294967579 295252245 /nfs/dbraw/zinc/25/22/45/295252245.db2.gz JSFXJDJHMDOFRY-GFCCVEGCSA-N 1 0 330.388 2.985 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294979269 295253611 /nfs/dbraw/zinc/25/36/11/295253611.db2.gz NUBKDIYQMKNGCY-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294979265 295253721 /nfs/dbraw/zinc/25/37/21/295253721.db2.gz NUBKDIYQMKNGCY-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CS[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295018131 295258212 /nfs/dbraw/zinc/25/82/12/295258212.db2.gz KFYFYXOMZMUJEH-OAHLLOKOSA-N 1 0 332.429 2.933 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000295055943 295262686 /nfs/dbraw/zinc/26/26/86/295262686.db2.gz GXEVNNVSRFVAHK-GHMZBOCLSA-N 1 0 337.807 2.912 20 5 EFBDRO CN(C)C(=O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295074418 295264830 /nfs/dbraw/zinc/26/48/30/295264830.db2.gz RGOIITVGXHHLDZ-CSKARUKUSA-N 1 0 331.416 2.989 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC000295083054 295265880 /nfs/dbraw/zinc/26/58/80/295265880.db2.gz FFKFESAQXAOHPH-UHFFFAOYSA-N 1 0 339.367 2.614 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418405849 295266464 /nfs/dbraw/zinc/26/64/64/295266464.db2.gz DUWGKNLXHLIXQO-CJNGLKHVSA-N 1 0 346.431 2.786 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000295105226 295268661 /nfs/dbraw/zinc/26/86/61/295268661.db2.gz GXDSDEQIQMOLBF-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])c(C)n3)c2)CC1 ZINC000295115324 295270050 /nfs/dbraw/zinc/27/00/50/295270050.db2.gz VYTMMRJFAQBMHI-UHFFFAOYSA-N 1 0 342.403 2.579 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000295229718 295285170 /nfs/dbraw/zinc/28/51/70/295285170.db2.gz NSMJDNMWSOUIGE-CYBMUJFWSA-N 1 0 338.404 2.595 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000295257694 295288763 /nfs/dbraw/zinc/28/87/63/295288763.db2.gz NJAQLLXTWGXEET-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN(C3CC3)C3COC3)o2)c1 ZINC000295272565 295291025 /nfs/dbraw/zinc/29/10/25/295291025.db2.gz CKGYIECFWWMXJG-UHFFFAOYSA-N 1 0 329.356 2.656 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295275230 295291600 /nfs/dbraw/zinc/29/16/00/295291600.db2.gz HGFWSNNIXNSMDB-ZDUSSCGKSA-N 1 0 349.456 2.630 20 5 EFBDRO COc1cc(CN(C(C)C)C2COC2)c([N+](=O)[O-])cc1OC(F)F ZINC000295301851 295296520 /nfs/dbraw/zinc/29/65/20/295296520.db2.gz FIPLGCBPAZYAQH-UHFFFAOYSA-N 1 0 346.330 2.814 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C2CC2)c1 ZINC000295315791 295298978 /nfs/dbraw/zinc/29/89/78/295298978.db2.gz GKGMQKKWQAVFJN-CYBMUJFWSA-N 1 0 327.384 2.985 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295386007 295311518 /nfs/dbraw/zinc/31/15/18/295311518.db2.gz PZMVFHMFEBLURK-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000295413105 295316072 /nfs/dbraw/zinc/31/60/72/295316072.db2.gz SMUTUHONEKAIFS-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295484866 295328518 /nfs/dbraw/zinc/32/85/18/295328518.db2.gz ZLDKAIGERYPISP-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000295598932 295347164 /nfs/dbraw/zinc/34/71/64/295347164.db2.gz CQOMYOIUMIBICC-NSHDSACASA-N 1 0 331.372 2.879 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000295693880 295362206 /nfs/dbraw/zinc/36/22/06/295362206.db2.gz DRDRTTPGXPRETC-SFHVURJKSA-N 1 0 325.368 2.813 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295756052 295371457 /nfs/dbraw/zinc/37/14/57/295371457.db2.gz HJGPMKVLDLDGKF-FZMZJTMJSA-N 1 0 339.823 2.969 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(N)=O ZINC000295781775 295375382 /nfs/dbraw/zinc/37/53/82/295375382.db2.gz ZENNLCKUVDMJBJ-ZDUSSCGKSA-N 1 0 337.395 2.848 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295836388 295383513 /nfs/dbraw/zinc/38/35/13/295383513.db2.gz NAXHRGXKMWQUJG-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000296052106 295417592 /nfs/dbraw/zinc/41/75/92/295417592.db2.gz FTSVUXPECKHHED-HZPDHXFCSA-N 1 0 347.415 2.779 20 5 EFBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000296127310 295428522 /nfs/dbraw/zinc/42/85/22/295428522.db2.gz UFHOGLTYWPSWBP-ZDUSSCGKSA-N 1 0 335.404 2.861 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000296146229 295431397 /nfs/dbraw/zinc/43/13/97/295431397.db2.gz XOWHAAAFCQAQQN-BMFZPTHFSA-N 1 0 347.371 2.940 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354287997 297260346 /nfs/dbraw/zinc/26/03/46/297260346.db2.gz ASUJCSHGUDHYNU-HUUCEWRRSA-N 1 0 345.443 2.958 20 5 EFBDRO C[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000457058030 298132018 /nfs/dbraw/zinc/13/20/18/298132018.db2.gz VIDAHIJCLVSPFC-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262511382 300484538 /nfs/dbraw/zinc/48/45/38/300484538.db2.gz NXXWMFYLUSHZTL-STQMWFEESA-N 1 0 348.447 2.544 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000131195631 304807481 /nfs/dbraw/zinc/80/74/81/304807481.db2.gz VXBKKPFFEUHDBM-SFHVURJKSA-N 1 0 341.411 2.758 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCOC3(CCC3)C2)n1 ZINC000447589789 304811678 /nfs/dbraw/zinc/81/16/78/304811678.db2.gz YYRUEIIWKYNSKD-SOUVJXGZSA-N 1 0 334.420 2.966 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000164137360 310729751 /nfs/dbraw/zinc/72/97/51/310729751.db2.gz XEMSCAVWZGXNBB-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO C[C@@H](C[NH+](C)C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000168987086 310734792 /nfs/dbraw/zinc/73/47/92/310734792.db2.gz HSEZXVWONWJPHS-QMMMGPOBSA-N 1 0 349.172 2.561 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000255113440 310807221 /nfs/dbraw/zinc/80/72/21/310807221.db2.gz IYVNWXYDCMPGMB-SREVYHEPSA-N 1 0 329.400 2.599 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CO2 ZINC000297085784 310850694 /nfs/dbraw/zinc/85/06/94/310850694.db2.gz WYMDGIWFRHHSED-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297089443 310851230 /nfs/dbraw/zinc/85/12/30/310851230.db2.gz XJIWRYGUJABHTC-ZDUSSCGKSA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297591698 310911659 /nfs/dbraw/zinc/91/16/59/310911659.db2.gz MUXIWZYHKSOJKB-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO CCOc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1O ZINC000298119401 310959205 /nfs/dbraw/zinc/95/92/05/310959205.db2.gz PDCRJQQBDBPWQQ-UHFFFAOYSA-N 1 0 331.372 2.664 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000298287965 310975324 /nfs/dbraw/zinc/97/53/24/310975324.db2.gz IEMVZZAXOWNJKE-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298711639 311016930 /nfs/dbraw/zinc/01/69/30/311016930.db2.gz GQGYPKAMIJKVAT-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO CCCC[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298762712 311021447 /nfs/dbraw/zinc/02/14/47/311021447.db2.gz QPJWCZUZSXKHAD-UHFFFAOYSA-N 1 0 348.346 2.799 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298782857 311023262 /nfs/dbraw/zinc/02/32/62/311023262.db2.gz GOFLXLIAUMRZFS-UHFFFAOYSA-N 1 0 331.372 2.947 20 5 EFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000298883045 311031355 /nfs/dbraw/zinc/03/13/55/311031355.db2.gz LBUQIMCSIZYOIB-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299076469 311048458 /nfs/dbraw/zinc/04/84/58/311048458.db2.gz PWWXXSYQMYXFSX-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000299107816 311051521 /nfs/dbraw/zinc/05/15/21/311051521.db2.gz YCSZHNYVXFMZMW-KSSFIOAISA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299119139 311052981 /nfs/dbraw/zinc/05/29/81/311052981.db2.gz DZQSNJVMRSCFPE-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO CCCNC(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299198870 311060965 /nfs/dbraw/zinc/06/09/65/311060965.db2.gz FSBZLRMWBBBKLL-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299197110 311060997 /nfs/dbraw/zinc/06/09/97/311060997.db2.gz PLIQNDYPZUMDJZ-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231070 311063805 /nfs/dbraw/zinc/06/38/05/311063805.db2.gz PWFVHFPWHBDXQO-ZIAGYGMSSA-N 1 0 335.404 2.731 20 5 EFBDRO COCCC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000299253681 311065841 /nfs/dbraw/zinc/06/58/41/311065841.db2.gz DDSBTQDTFAEOEJ-UHFFFAOYSA-N 1 0 334.319 2.673 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000299311035 311071617 /nfs/dbraw/zinc/07/16/17/311071617.db2.gz BSPTVBVIKMMGHO-QGZVFWFLSA-N 1 0 342.399 2.518 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000299528575 311093889 /nfs/dbraw/zinc/09/38/89/311093889.db2.gz YQCPGZLJTLMXPE-AWEZNQCLSA-N 1 0 335.404 2.772 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299716572 311113615 /nfs/dbraw/zinc/11/36/15/311113615.db2.gz XJQUYKNXNHJZSC-IYBDPMFKSA-N 1 0 332.448 2.590 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000299725514 311114432 /nfs/dbraw/zinc/11/44/32/311114432.db2.gz UKMDWBWKDIHGIS-GFCCVEGCSA-N 1 0 333.413 2.966 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000301081639 311117958 /nfs/dbraw/zinc/11/79/58/311117958.db2.gz KPACPUMTMMKPGS-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCOCC1 ZINC000301370232 311133916 /nfs/dbraw/zinc/13/39/16/311133916.db2.gz PROQNGCPHWBJMU-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301523741 311142411 /nfs/dbraw/zinc/14/24/11/311142411.db2.gz MJLGKQXPSDUFCP-QGZVFWFLSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000301582417 311145731 /nfs/dbraw/zinc/14/57/31/311145731.db2.gz PWYDNAGGIUJDBD-UHFFFAOYSA-N 1 0 348.447 2.993 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301583823 311145948 /nfs/dbraw/zinc/14/59/48/311145948.db2.gz OHZDLNSMJFNFAC-MNOVXSKESA-N 1 0 331.376 2.528 20 5 EFBDRO Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301597091 311146895 /nfs/dbraw/zinc/14/68/95/311146895.db2.gz ZOZJYKFQGPJSHX-CYBMUJFWSA-N 1 0 339.823 2.715 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000301678406 311151946 /nfs/dbraw/zinc/15/19/46/311151946.db2.gz INPUIGMWKCTRHV-NSHDSACASA-N 1 0 329.198 2.504 20 5 EFBDRO CC[N@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC000301680636 311151998 /nfs/dbraw/zinc/15/19/98/311151998.db2.gz JMUSRIDPZIWVPX-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000301742466 311155918 /nfs/dbraw/zinc/15/59/18/311155918.db2.gz YSMVNUFAEQSZSD-WMZOPIPTSA-N 1 0 341.411 2.890 20 5 EFBDRO Cc1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301887316 311164843 /nfs/dbraw/zinc/16/48/43/311164843.db2.gz QQLWKKPAHZTKHF-DLBZAZTESA-N 1 0 341.411 2.951 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000302055248 311175053 /nfs/dbraw/zinc/17/50/53/311175053.db2.gz PXVZJRGFLZXTDH-HUUCEWRRSA-N 1 0 349.479 2.982 20 5 EFBDRO Cc1cc(NCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302129841 311179074 /nfs/dbraw/zinc/17/90/74/311179074.db2.gz BQZZZQBHUJDQGT-UHFFFAOYSA-N 1 0 328.372 2.876 20 5 EFBDRO C[C@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302135478 311179762 /nfs/dbraw/zinc/17/97/62/311179762.db2.gz HTNIWBSITUFTJU-GFCCVEGCSA-N 1 0 345.403 2.920 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302226362 311186085 /nfs/dbraw/zinc/18/60/85/311186085.db2.gz PMSVFMHABANRAS-AWEZNQCLSA-N 1 0 333.436 2.866 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000302277834 311187759 /nfs/dbraw/zinc/18/77/59/311187759.db2.gz UFOPOZLTALBTDG-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3ncccc3[N+](=O)[O-])c2)CC1 ZINC000302295595 311188251 /nfs/dbraw/zinc/18/82/51/311188251.db2.gz XKLKEFZCDASDCM-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1CC[NH+](CCO)CC1 ZINC000302814377 311202359 /nfs/dbraw/zinc/20/23/59/311202359.db2.gz HZCACJMRFDEFSM-UHFFFAOYSA-N 1 0 327.812 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000305105989 311215707 /nfs/dbraw/zinc/21/57/07/311215707.db2.gz BJYHIWWXQGWSNW-AWEZNQCLSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(CO)CCCC3)o2)c1 ZINC000305251824 311222186 /nfs/dbraw/zinc/22/21/86/311222186.db2.gz VGAKUGFPGSXANQ-UHFFFAOYSA-N 1 0 331.372 2.687 20 5 EFBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312888367 311230912 /nfs/dbraw/zinc/23/09/12/311230912.db2.gz WHHPKXDFGHWJNW-JQWIXIFHSA-N 1 0 340.221 2.854 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167380 311241106 /nfs/dbraw/zinc/24/11/06/311241106.db2.gz FGMWJMYAUVCRBD-BLLLJJGKSA-N 1 0 330.388 2.512 20 5 EFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324626011 311242044 /nfs/dbraw/zinc/24/20/44/311242044.db2.gz RBPOXAFIOPDMBK-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000324756779 311242166 /nfs/dbraw/zinc/24/21/66/311242166.db2.gz RSAGJUYQGIHROK-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000324972552 311242616 /nfs/dbraw/zinc/24/26/16/311242616.db2.gz PYJHRSLDZVTXQZ-UHFFFAOYSA-N 1 0 332.356 2.781 20 5 EFBDRO Cc1c(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000326471126 311244202 /nfs/dbraw/zinc/24/42/02/311244202.db2.gz SUJRUERMHHKOKS-MRXNPFEDSA-N 1 0 327.384 3.000 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000327206449 311244868 /nfs/dbraw/zinc/24/48/68/311244868.db2.gz QCVHOWVBIQEGMK-DZGCQCFKSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330498497 311319779 /nfs/dbraw/zinc/31/97/79/311319779.db2.gz BIUIOLVTZZUVST-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000330562347 311322081 /nfs/dbraw/zinc/32/20/81/311322081.db2.gz JHWLNNPZUPIOBR-OLZOCXBDSA-N 1 0 345.403 2.559 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330802595 311336205 /nfs/dbraw/zinc/33/62/05/311336205.db2.gz HLJXLDGFXCVDRH-AWEZNQCLSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330897762 311342409 /nfs/dbraw/zinc/34/24/09/311342409.db2.gz HVBTUVJEXSYZDS-RWMBFGLXSA-N 1 0 337.445 2.674 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330988224 311347491 /nfs/dbraw/zinc/34/74/91/311347491.db2.gz RBGVBVCOUPRSSB-RYUDHWBXSA-N 1 0 325.384 2.657 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC(C)(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000331066772 311352111 /nfs/dbraw/zinc/35/21/11/311352111.db2.gz YKQIHSABECFZNR-CYBMUJFWSA-N 1 0 335.404 2.731 20 5 EFBDRO CSc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331163824 311358188 /nfs/dbraw/zinc/35/81/88/311358188.db2.gz RTTPAVKHLHWPST-CQSZACIVSA-N 1 0 337.445 2.729 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331295275 311365941 /nfs/dbraw/zinc/36/59/41/311365941.db2.gz SJUQDZUTUQAUTM-RVSPLBMKSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331295272 311366041 /nfs/dbraw/zinc/36/60/41/311366041.db2.gz SJUQDZUTUQAUTM-DXCKQFNASA-N 1 0 349.431 2.713 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000331309589 311366736 /nfs/dbraw/zinc/36/67/36/311366736.db2.gz YITIGGPNXMHCKM-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331312059 311366808 /nfs/dbraw/zinc/36/68/08/311366808.db2.gz CAMLROJUZFWJHN-VXGBXAGGSA-N 1 0 325.384 2.657 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000331449490 311378569 /nfs/dbraw/zinc/37/85/69/311378569.db2.gz YVGYBAFLKIHFBP-CYBMUJFWSA-N 1 0 349.435 2.532 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000331515490 311385336 /nfs/dbraw/zinc/38/53/36/311385336.db2.gz NIHZIYWRWZVQQS-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331621414 311398345 /nfs/dbraw/zinc/39/83/45/311398345.db2.gz UBEHGCTZNDTUCE-QWHCGFSZSA-N 1 0 349.406 2.971 20 5 EFBDRO Cc1c(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331893160 311431741 /nfs/dbraw/zinc/43/17/41/311431741.db2.gz KLLXLEKNYJZGJZ-UHFFFAOYSA-N 1 0 346.431 2.673 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332378784 311496107 /nfs/dbraw/zinc/49/61/07/311496107.db2.gz UJOFICQMQLAZJU-GFCCVEGCSA-N 1 0 344.415 2.878 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342923140 311726514 /nfs/dbraw/zinc/72/65/14/311726514.db2.gz DHCPTTRTJSNBHS-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000411514353 311980836 /nfs/dbraw/zinc/98/08/36/311980836.db2.gz WYDNBVDAFQGEJR-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414849796 312057899 /nfs/dbraw/zinc/05/78/99/312057899.db2.gz YPRIRAGGTKCTFN-GFCCVEGCSA-N 1 0 333.388 2.809 20 5 EFBDRO COc1ccc(CN[C@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414927424 312064417 /nfs/dbraw/zinc/06/44/17/312064417.db2.gz LBVMEYJXIXCTJW-CYBMUJFWSA-N 1 0 345.399 2.619 20 5 EFBDRO [NH3+]CC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)F ZINC000414984274 312071354 /nfs/dbraw/zinc/07/13/54/312071354.db2.gz DPKHXVYRPKIWMU-ZDUSSCGKSA-N 1 0 325.315 2.927 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415066230 312087073 /nfs/dbraw/zinc/08/70/73/312087073.db2.gz OFEDOLVCXRKBJB-INIZCTEOSA-N 1 0 329.400 2.955 20 5 EFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118624 312097514 /nfs/dbraw/zinc/09/75/14/312097514.db2.gz DTLYFLQSGYOIGR-ZYHUDNBSSA-N 1 0 329.347 2.613 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415298624 312126788 /nfs/dbraw/zinc/12/67/88/312126788.db2.gz PGSOZHKKNIRRGX-MGPQQGTHSA-N 1 0 332.404 2.721 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415476993 312143023 /nfs/dbraw/zinc/14/30/23/312143023.db2.gz AFXLTIVGLFERMI-HZSPNIEDSA-N 1 0 332.404 2.721 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415476994 312143420 /nfs/dbraw/zinc/14/34/20/312143420.db2.gz AFXLTIVGLFERMI-MELADBBJSA-N 1 0 332.404 2.721 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415651937 312162620 /nfs/dbraw/zinc/16/26/20/312162620.db2.gz GYXOGWGIPAOZPB-UHFFFAOYSA-N 1 0 336.392 2.505 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415667632 312163063 /nfs/dbraw/zinc/16/30/63/312163063.db2.gz YGZLZYCAJPSRBX-RYUDHWBXSA-N 1 0 336.392 2.633 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415690561 312165180 /nfs/dbraw/zinc/16/51/80/312165180.db2.gz FDDZEGOAPKXLAA-QWHCGFSZSA-N 1 0 346.431 2.966 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415691694 312165722 /nfs/dbraw/zinc/16/57/22/312165722.db2.gz FZUTWTQMAHLHTM-CHWSQXEVSA-N 1 0 346.431 2.966 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304781 312206446 /nfs/dbraw/zinc/20/64/46/312206446.db2.gz FOGGAWCMTZAHIT-QAPCUYQASA-N 1 0 333.432 2.673 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304780 312206556 /nfs/dbraw/zinc/20/65/56/312206556.db2.gz FOGGAWCMTZAHIT-MAUKXSAKSA-N 1 0 333.432 2.673 20 5 EFBDRO NC(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000417308766 312206747 /nfs/dbraw/zinc/20/67/47/312206747.db2.gz IBKABRVZSZUOMA-INIZCTEOSA-N 1 0 331.416 2.998 20 5 EFBDRO NC(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000417308768 312206853 /nfs/dbraw/zinc/20/68/53/312206853.db2.gz IBKABRVZSZUOMA-MRXNPFEDSA-N 1 0 331.416 2.998 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCOCC1)CCCC2 ZINC000417314191 312207747 /nfs/dbraw/zinc/20/77/47/312207747.db2.gz YHVYWWQIPRSNTB-QZTJIDSGSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(O)CCOCC1)CCCC2 ZINC000417337569 312210980 /nfs/dbraw/zinc/21/09/80/312210980.db2.gz XCKRAQCSMFETPT-QGZVFWFLSA-N 1 0 334.416 2.884 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000417854106 312282725 /nfs/dbraw/zinc/28/27/25/312282725.db2.gz PQIZFEHZYNNBFC-CQSZACIVSA-N 1 0 346.431 2.749 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417856528 312282963 /nfs/dbraw/zinc/28/29/63/312282963.db2.gz SKDFMJHJFJTORP-WHOFXGATSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000417971233 312302826 /nfs/dbraw/zinc/30/28/26/312302826.db2.gz AMDSPICRAFMBOZ-IUODEOHRSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000418079897 312322288 /nfs/dbraw/zinc/32/22/88/312322288.db2.gz LLXAGPQOVBWVDG-OAHLLOKOSA-N 1 0 334.420 2.610 20 5 EFBDRO Cc1c(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000418083466 312322592 /nfs/dbraw/zinc/32/25/92/312322592.db2.gz SDLJBDOEDBTSDX-MRXNPFEDSA-N 1 0 346.431 2.577 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418092190 312324005 /nfs/dbraw/zinc/32/40/05/312324005.db2.gz QXUOTRMJNVASBK-SECBINFHSA-N 1 0 348.325 2.540 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](CC(C)C)OC)c([N+](=O)[O-])cc1OC ZINC000418101580 312325843 /nfs/dbraw/zinc/32/58/43/312325843.db2.gz QEFQUCGMMROHPU-CYBMUJFWSA-N 1 0 326.393 2.763 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418233016 312351231 /nfs/dbraw/zinc/35/12/31/312351231.db2.gz NMAYVWFESKFGDD-GUYCJALGSA-N 1 0 346.431 2.829 20 5 EFBDRO CC(C)(NC(=O)NCC1([NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000418299364 312358330 /nfs/dbraw/zinc/35/83/30/312358330.db2.gz SJQYGIXOYHOEGU-UHFFFAOYSA-N 1 0 334.420 2.791 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418474191 312359388 /nfs/dbraw/zinc/35/93/88/312359388.db2.gz UPFHTWKUSMTETK-AWEZNQCLSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420601981 312374929 /nfs/dbraw/zinc/37/49/29/312374929.db2.gz OBPNQRDIRZPWHI-UHFFFAOYSA-N 1 0 348.447 2.864 20 5 EFBDRO C[NH+](C)C1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000420631541 312376494 /nfs/dbraw/zinc/37/64/94/312376494.db2.gz VGLLMUTUIXVUDS-UHFFFAOYSA-N 1 0 332.404 2.764 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420811167 312395341 /nfs/dbraw/zinc/39/53/41/312395341.db2.gz SUUTYXSCZURLRX-HIFRSBDPSA-N 1 0 334.420 2.700 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423592636 312435741 /nfs/dbraw/zinc/43/57/41/312435741.db2.gz FBCNPJMRKCKLNV-GXSJLCMTSA-N 1 0 343.836 2.597 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423592638 312435764 /nfs/dbraw/zinc/43/57/64/312435764.db2.gz FBCNPJMRKCKLNV-MWLCHTKSSA-N 1 0 343.836 2.597 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423685065 312442698 /nfs/dbraw/zinc/44/26/98/312442698.db2.gz IKTWYBYWBPPPJD-FZMZJTMJSA-N 1 0 335.429 2.531 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000423693230 312443957 /nfs/dbraw/zinc/44/39/57/312443957.db2.gz FAASTKVHDLFWKS-RYUDHWBXSA-N 1 0 337.445 2.954 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423848934 312470620 /nfs/dbraw/zinc/47/06/20/312470620.db2.gz PTORWGSENFUOSZ-ZDUSSCGKSA-N 1 0 325.796 2.643 20 5 EFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000423947752 312487325 /nfs/dbraw/zinc/48/73/25/312487325.db2.gz KVQZHYDRNXDKQM-AWEZNQCLSA-N 1 0 346.412 2.528 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000423954612 312488541 /nfs/dbraw/zinc/48/85/41/312488541.db2.gz BVFXQYFGSLIOAG-MRXNPFEDSA-N 1 0 327.384 2.895 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423960714 312489452 /nfs/dbraw/zinc/48/94/52/312489452.db2.gz NMUUEEQUIGRWMN-AWEZNQCLSA-N 1 0 337.445 2.954 20 5 EFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423966684 312490887 /nfs/dbraw/zinc/49/08/87/312490887.db2.gz ZXMJWQZJVGOHIA-NOZJJQNGSA-N 1 0 343.811 2.505 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000423975266 312493053 /nfs/dbraw/zinc/49/30/53/312493053.db2.gz LSGIYUYGNBUELC-KRWDZBQOSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423975525 312493086 /nfs/dbraw/zinc/49/30/86/312493086.db2.gz CYIKJWMWWNZBFD-GFCCVEGCSA-N 1 0 345.852 2.830 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424038756 312501310 /nfs/dbraw/zinc/50/13/10/312501310.db2.gz XTSZRUWYIIIKHL-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000424040816 312501542 /nfs/dbraw/zinc/50/15/42/312501542.db2.gz RYQXSFCOGXLZLP-DOTOQJQBSA-N 1 0 343.358 2.609 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424046633 312503061 /nfs/dbraw/zinc/50/30/61/312503061.db2.gz SIWDLTYBSMTDRE-UHFFFAOYSA-N 1 0 347.390 2.617 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424057733 312504965 /nfs/dbraw/zinc/50/49/65/312504965.db2.gz CPFZDSNANGUCJQ-MDZLAQPJSA-N 1 0 339.823 2.623 20 5 EFBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000432389408 312561425 /nfs/dbraw/zinc/56/14/25/312561425.db2.gz VKJIEHUIACSIOW-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164197 312597006 /nfs/dbraw/zinc/59/70/06/312597006.db2.gz ZOHAVIZUZDTUCT-YOEHRIQHSA-N 1 0 334.416 2.694 20 5 EFBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000439130508 312635361 /nfs/dbraw/zinc/63/53/61/312635361.db2.gz KIESDWYTTLDEQA-OAHLLOKOSA-N 1 0 346.362 2.548 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000449337925 312684684 /nfs/dbraw/zinc/68/46/84/312684684.db2.gz TWTCGTVWXHOWJY-ZDUSSCGKSA-N 1 0 328.416 2.928 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345526 312890618 /nfs/dbraw/zinc/89/06/18/312890618.db2.gz KENLYTREFCUJKI-YIYPIFLZSA-N 1 0 330.392 2.767 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453384087 312896182 /nfs/dbraw/zinc/89/61/82/312896182.db2.gz CLAQHJGMEKRJJC-DUVNUKRYSA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453384090 312896482 /nfs/dbraw/zinc/89/64/82/312896482.db2.gz CLAQHJGMEKRJJC-NOLJZWGESA-N 1 0 330.388 2.899 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000453605574 312916397 /nfs/dbraw/zinc/91/63/97/312916397.db2.gz UJLMABUWNDMLIJ-UHFFFAOYSA-N 1 0 331.372 2.648 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458163430 313081841 /nfs/dbraw/zinc/08/18/41/313081841.db2.gz JFJXZTOSTRAHLH-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CSc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458236536 313091127 /nfs/dbraw/zinc/09/11/27/313091127.db2.gz YKAHHFIMOFBMFV-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459636404 313111339 /nfs/dbraw/zinc/11/13/39/313111339.db2.gz HJSOJBOAQRRURI-CYBMUJFWSA-N 1 0 342.399 2.590 20 5 EFBDRO CNC(=O)CC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470175399 313129226 /nfs/dbraw/zinc/12/92/26/313129226.db2.gz CSKCJQLJWZZAIS-UVTDQMKNSA-N 1 0 331.416 2.846 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000470139195 313129344 /nfs/dbraw/zinc/12/93/44/313129344.db2.gz ZHIQFBUKXNELPJ-GOSISDBHSA-N 1 0 346.358 2.954 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000471229325 313140203 /nfs/dbraw/zinc/14/02/03/313140203.db2.gz WVQUPPFBEDOENS-SFHVURJKSA-N 1 0 349.431 2.763 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000471809594 313162566 /nfs/dbraw/zinc/16/25/66/313162566.db2.gz IOCKMKCPEYJDQB-NWDGAFQWSA-N 1 0 332.356 2.819 20 5 EFBDRO COc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)cccc1[N+](=O)[O-] ZINC000474286479 313207241 /nfs/dbraw/zinc/20/72/41/313207241.db2.gz DIBUDXKJSVYETP-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000475607087 313224680 /nfs/dbraw/zinc/22/46/80/313224680.db2.gz VVIOCVHBKOVSOZ-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO COc1c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000476061125 313228925 /nfs/dbraw/zinc/22/89/25/313228925.db2.gz GFOQTWYQVPKSGZ-CQSZACIVSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000476395999 313232682 /nfs/dbraw/zinc/23/26/82/313232682.db2.gz KBJBCEPFLHZWOT-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1c(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000479489719 313269215 /nfs/dbraw/zinc/26/92/15/313269215.db2.gz NHZSOKDVKDLOLY-HNNXBMFYSA-N 1 0 347.802 2.743 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CC1 ZINC000485398198 313327580 /nfs/dbraw/zinc/32/75/80/313327580.db2.gz HYLFXLWBOHKDCJ-MRXNPFEDSA-N 1 0 344.390 2.970 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487080907 313363845 /nfs/dbraw/zinc/36/38/45/313363845.db2.gz UZGWTGIPPDOTGA-KRWDZBQOSA-N 1 0 348.447 2.509 20 5 EFBDRO CCNC(=O)C1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000487145010 313370517 /nfs/dbraw/zinc/37/05/17/313370517.db2.gz FCMVETAZUOPEKS-UHFFFAOYSA-N 1 0 342.399 2.592 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487160388 313371354 /nfs/dbraw/zinc/37/13/54/313371354.db2.gz XZBCFXOGUIFIMG-XJKSGUPXSA-N 1 0 334.420 2.637 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000487181965 313373352 /nfs/dbraw/zinc/37/33/52/313373352.db2.gz SHXULGZGKDMTND-HAZIXKIPSA-N 1 0 333.432 2.699 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)C[NH+](C)C ZINC000488999561 313534255 /nfs/dbraw/zinc/53/42/55/313534255.db2.gz DAVJTGDPDKLHAY-SECBINFHSA-N 1 0 329.784 2.644 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000491875575 313798636 /nfs/dbraw/zinc/79/86/36/313798636.db2.gz YYKOPVJMMUVBSX-SDQPKGBYSA-N 1 0 347.390 2.691 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491929788 313815381 /nfs/dbraw/zinc/81/53/81/313815381.db2.gz UWCWNRPMXDVKIN-IZPAUZPXSA-N 1 0 349.406 2.937 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491939038 313818147 /nfs/dbraw/zinc/81/81/47/313818147.db2.gz MPYVHWYQNYBESR-FJVVXJACSA-N 1 0 331.416 2.798 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000492023012 313846682 /nfs/dbraw/zinc/84/66/82/313846682.db2.gz XQBODXZXWYXWAX-FNORWQNLSA-N 1 0 347.390 2.880 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492052676 313859926 /nfs/dbraw/zinc/85/99/26/313859926.db2.gz ZQPHQVLAUPTHHK-FLIBITNWSA-N 1 0 331.416 2.942 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000492186489 313905234 /nfs/dbraw/zinc/90/52/34/313905234.db2.gz CBTVTYXTKPORQU-LCYFTJDESA-N 1 0 331.372 2.573 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492528886 314026019 /nfs/dbraw/zinc/02/60/19/314026019.db2.gz GBGCJWYIRJCPFI-GQCTYLIASA-N 1 0 335.379 2.595 20 5 EFBDRO CCOc1cc(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)ccc1[N+](=O)[O-] ZINC000492693959 314088758 /nfs/dbraw/zinc/08/87/58/314088758.db2.gz AUQRBEYJVDCUKI-GFCCVEGCSA-N 1 0 336.388 2.767 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000492841187 314147773 /nfs/dbraw/zinc/14/77/73/314147773.db2.gz QJWJDPQCIYRHRD-WHLNPGIBSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000492849436 314150801 /nfs/dbraw/zinc/15/08/01/314150801.db2.gz CKYDHILRLXVYSA-VAWYXSNFSA-N 1 0 339.395 2.904 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492881982 314163284 /nfs/dbraw/zinc/16/32/84/314163284.db2.gz SKJPNFFTJLFTNG-LRPNZCEASA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000492898934 314169270 /nfs/dbraw/zinc/16/92/70/314169270.db2.gz UXYUWWSOLULGQT-XQJSUTPGSA-N 1 0 343.427 2.797 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000492964006 314193792 /nfs/dbraw/zinc/19/37/92/314193792.db2.gz UZYVKOLVECRHQU-ZIAGYGMSSA-N 1 0 334.420 2.700 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000493000143 314207046 /nfs/dbraw/zinc/20/70/46/314207046.db2.gz WYVQHFMAFALPRL-KTKRTIGZSA-N 1 0 331.416 2.990 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000493046045 314222237 /nfs/dbraw/zinc/22/22/37/314222237.db2.gz DBLVTFSQKHBCFP-CJNGLKHVSA-N 1 0 334.420 2.782 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493141720 314255211 /nfs/dbraw/zinc/25/52/11/314255211.db2.gz SGIWHQBBXCKRGS-HPFMTEOYSA-N 1 0 343.427 2.845 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493140917 314255407 /nfs/dbraw/zinc/25/54/07/314255407.db2.gz NYRZPOLQAZCQGG-KRZKXXONSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000493141114 314255602 /nfs/dbraw/zinc/25/56/02/314255602.db2.gz PAKZGSMZALABHS-TXTHVTMNSA-N 1 0 347.390 2.595 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493171448 314265372 /nfs/dbraw/zinc/26/53/72/314265372.db2.gz MJFSVWOWNBIKFK-PAVWGIHYSA-N 1 0 347.390 2.769 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493213609 314278986 /nfs/dbraw/zinc/27/89/86/314278986.db2.gz DXLVAGUBNHOXFH-SNPDBEFISA-N 1 0 347.390 2.595 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000493248763 314290513 /nfs/dbraw/zinc/29/05/13/314290513.db2.gz ASNDNHBKFYEVQU-AWEZNQCLSA-N 1 0 334.420 2.701 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000493249128 314291683 /nfs/dbraw/zinc/29/16/83/314291683.db2.gz GRZBODOVELQGCG-XQRVVYSFSA-N 1 0 347.390 2.738 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493253246 314292628 /nfs/dbraw/zinc/29/26/28/314292628.db2.gz HPWHTOWYBOYNHO-VURMDHGXSA-N 1 0 335.379 2.738 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493560795 314400479 /nfs/dbraw/zinc/40/04/79/314400479.db2.gz SBDCKIHYEXTLTN-FKDHNMLASA-N 1 0 329.400 2.599 20 5 EFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250570 314564906 /nfs/dbraw/zinc/56/49/06/314564906.db2.gz JQUJOEWATWXGBU-PSLIRLAXSA-N 1 0 346.330 2.862 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494520424 314599491 /nfs/dbraw/zinc/59/94/91/314599491.db2.gz DUIVCIARQYRIBZ-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000496290356 315014228 /nfs/dbraw/zinc/01/42/28/315014228.db2.gz CWRJOWXXGJBIMA-RDTXWAMCSA-N 1 0 347.415 2.941 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496440496 315067438 /nfs/dbraw/zinc/06/74/38/315067438.db2.gz SUTQICJPRWBXLS-LRFDDAOPSA-N 1 0 333.388 2.771 20 5 EFBDRO C[C@@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000503389879 315443414 /nfs/dbraw/zinc/44/34/14/315443414.db2.gz IEEUEIOYNYEFMI-SJKOYZFVSA-N 1 0 347.802 2.935 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000507131380 315475597 /nfs/dbraw/zinc/47/55/97/315475597.db2.gz AFBDOWNAHOCGJW-ALCCZGGFSA-N 1 0 331.416 2.845 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519140906 315846203 /nfs/dbraw/zinc/84/62/03/315846203.db2.gz AJTRDWYIJJHIKZ-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519140905 315846506 /nfs/dbraw/zinc/84/65/06/315846506.db2.gz AJTRDWYIJJHIKZ-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cn3ccsc3n2)n1 ZINC000520720196 315974850 /nfs/dbraw/zinc/97/48/50/315974850.db2.gz YJQYGJXPMZSZPL-OLZOCXBDSA-N 1 0 346.416 2.774 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000522238001 316082333 /nfs/dbraw/zinc/08/23/33/316082333.db2.gz ZOYJFLWPFKSQQZ-ZIAGYGMSSA-N 1 0 334.420 2.657 20 5 EFBDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000524971302 316183185 /nfs/dbraw/zinc/18/31/85/316183185.db2.gz KPXVXIDPXHYNLH-CQSZACIVSA-N 1 0 330.384 2.986 20 5 EFBDRO CN1CC[NH+](CCCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000526073747 316286826 /nfs/dbraw/zinc/28/68/26/316286826.db2.gz TURLCYIHOXHEEE-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000530359321 317114355 /nfs/dbraw/zinc/11/43/55/317114355.db2.gz BMZQMWHUFQZIRR-HOTGVXAUSA-N 1 0 329.404 2.811 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531200681 317234397 /nfs/dbraw/zinc/23/43/97/317234397.db2.gz PCLLKAZTALVOJH-MAUKXSAKSA-N 1 0 343.383 2.567 20 5 EFBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000531342092 317253769 /nfs/dbraw/zinc/25/37/69/317253769.db2.gz CSOOMUVGZBPIFC-OAHLLOKOSA-N 1 0 330.388 2.507 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000531471808 317271593 /nfs/dbraw/zinc/27/15/93/317271593.db2.gz UUTSGOLKVBMNAA-GJZGRUSLSA-N 1 0 348.447 2.994 20 5 EFBDRO CNc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000531721039 317304655 /nfs/dbraw/zinc/30/46/55/317304655.db2.gz RVQLBKPKAIHXDE-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000531931487 317334373 /nfs/dbraw/zinc/33/43/73/317334373.db2.gz OMUAXRBRAYHNPC-DOTOQJQBSA-N 1 0 335.448 2.911 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)C1CC1 ZINC000532024835 317344321 /nfs/dbraw/zinc/34/43/21/317344321.db2.gz DKTMXDVOKDUJAE-KDOFPFPSSA-N 1 0 344.411 2.950 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397963 317395573 /nfs/dbraw/zinc/39/55/73/317395573.db2.gz IWEOHFOZIUQTAC-UKRRQHHQSA-N 1 0 334.420 2.620 20 5 EFBDRO COC(=O)CC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000533527029 317511097 /nfs/dbraw/zinc/51/10/97/317511097.db2.gz LEJJYCBCZAQBDC-UHFFFAOYSA-N 1 0 336.388 2.829 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000534021610 317530109 /nfs/dbraw/zinc/53/01/09/317530109.db2.gz ZZAJAVNSRAIVGY-DOTOQJQBSA-N 1 0 336.388 2.685 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534248283 317536376 /nfs/dbraw/zinc/53/63/76/317536376.db2.gz UDNQKOVTHNNNPO-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000537985028 317687258 /nfs/dbraw/zinc/68/72/58/317687258.db2.gz QBERBCNFOFJBGY-GUTXKFCHSA-N 1 0 340.445 2.910 20 5 EFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538408379 317694352 /nfs/dbraw/zinc/69/43/52/317694352.db2.gz YZHRHXVTDRSPIG-SUMWQHHRSA-N 1 0 349.431 2.699 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CCCO ZINC000540137155 317739958 /nfs/dbraw/zinc/73/99/58/317739958.db2.gz LRSRXRSFPYVTEM-ZDUSSCGKSA-N 1 0 337.420 2.700 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000540609586 317747938 /nfs/dbraw/zinc/74/79/38/317747938.db2.gz STZMVAQUHHQKCW-JQHQGBHXSA-N 1 0 349.431 2.961 20 5 EFBDRO Cc1cc(NC[C@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541174948 317769581 /nfs/dbraw/zinc/76/95/81/317769581.db2.gz WOVKSNPTTFDSFM-CYBMUJFWSA-N 1 0 341.367 2.729 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542131210 317803989 /nfs/dbraw/zinc/80/39/89/317803989.db2.gz SINOFCCRMOGDLG-CYBMUJFWSA-N 1 0 332.429 2.805 20 5 EFBDRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543505369 317851412 /nfs/dbraw/zinc/85/14/12/317851412.db2.gz QJMCEQVRLOSUKG-CYBMUJFWSA-N 1 0 345.403 2.686 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)C3CCCCC3)o2)cc1 ZINC000543838890 317867958 /nfs/dbraw/zinc/86/79/58/317867958.db2.gz IISLKWAADSKAHV-OAHLLOKOSA-N 1 0 346.387 2.676 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000546649716 317970987 /nfs/dbraw/zinc/97/09/87/317970987.db2.gz CALGTBDKVMZHCJ-OCCSQVGLSA-N 1 0 335.404 2.859 20 5 EFBDRO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000547943890 318054591 /nfs/dbraw/zinc/05/45/91/318054591.db2.gz PHUSCFVXFMRTCK-LBPRGKRZSA-N 1 0 337.445 2.777 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000548403923 318104166 /nfs/dbraw/zinc/10/41/66/318104166.db2.gz WVOQZKARFOQJDK-XJKSGUPXSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](n2cncn2)C1 ZINC000551084426 318201126 /nfs/dbraw/zinc/20/11/26/318201126.db2.gz ZVPPPSWEXHPYRX-XOKHGSTOSA-N 1 0 345.403 2.585 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000552112434 318243247 /nfs/dbraw/zinc/24/32/47/318243247.db2.gz AULFVQRVJOMKHA-UHFFFAOYSA-N 1 0 342.399 2.584 20 5 EFBDRO CNc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000553526367 318286284 /nfs/dbraw/zinc/28/62/84/318286284.db2.gz TZHHSQIVKDIXGL-ZDUSSCGKSA-N 1 0 346.431 2.583 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000554720315 318334050 /nfs/dbraw/zinc/33/40/50/318334050.db2.gz MPYFCBLNPZMEOK-INIZCTEOSA-N 1 0 330.384 2.741 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3Cc4ccccc4C3)CC2)n1 ZINC000555104378 318345750 /nfs/dbraw/zinc/34/57/50/318345750.db2.gz JDZDAUHBXPZZRM-UHFFFAOYSA-N 1 0 326.400 2.843 20 5 EFBDRO C[C@@H](C(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555309693 318352733 /nfs/dbraw/zinc/35/27/33/318352733.db2.gz WVBKCYBHRSGKGK-CQSZACIVSA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000555321482 318353308 /nfs/dbraw/zinc/35/33/08/318353308.db2.gz CAAMDXMQTPBQFE-CXAGYDPISA-N 1 0 331.416 2.831 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000555808260 318369739 /nfs/dbraw/zinc/36/97/39/318369739.db2.gz HATBVPUTHDNCMF-UHFFFAOYSA-N 1 0 331.376 2.755 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555878907 318372652 /nfs/dbraw/zinc/37/26/52/318372652.db2.gz QRNRZBBJYKZOMO-HNNXBMFYSA-N 1 0 330.388 2.776 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000555911026 318373866 /nfs/dbraw/zinc/37/38/66/318373866.db2.gz SKSOPTFGTRAABQ-AWEZNQCLSA-N 1 0 348.447 2.995 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000556570273 318393628 /nfs/dbraw/zinc/39/36/28/318393628.db2.gz WMKGBMYZLRIZDR-KBPBESRZSA-N 1 0 334.420 2.685 20 5 EFBDRO O=C1CCCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000559984150 318523328 /nfs/dbraw/zinc/52/33/28/318523328.db2.gz AYVBTTXVEAGXBG-KRWDZBQOSA-N 1 0 331.416 2.964 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000560119864 318528473 /nfs/dbraw/zinc/52/84/73/318528473.db2.gz RECISHZWKQGITO-UHFFFAOYSA-N 1 0 347.371 2.577 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000561466922 318604377 /nfs/dbraw/zinc/60/43/77/318604377.db2.gz ARIBFBNELKLXTK-JCURWCKSSA-N 1 0 349.431 2.963 20 5 EFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562603447 318670054 /nfs/dbraw/zinc/67/00/54/318670054.db2.gz KDPPVDSBHJQPCN-YCPHGPKFSA-N 1 0 338.452 2.908 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000563253910 318759801 /nfs/dbraw/zinc/75/98/01/318759801.db2.gz FYUHVJKJQFEMPG-IXDOHACOSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000563410470 318781841 /nfs/dbraw/zinc/78/18/41/318781841.db2.gz XRKPCDZZJMYQSP-GOEBONIOSA-N 1 0 331.416 2.641 20 5 EFBDRO CCc1nncn1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000563572224 318797793 /nfs/dbraw/zinc/79/77/93/318797793.db2.gz PFBVEEGXEAVDSH-INIZCTEOSA-N 1 0 329.404 2.806 20 5 EFBDRO CCc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000564118225 318843508 /nfs/dbraw/zinc/84/35/08/318843508.db2.gz FVTUCBXMKJFOMW-GFCCVEGCSA-N 1 0 336.413 2.748 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000564754393 318888348 /nfs/dbraw/zinc/88/83/48/318888348.db2.gz RWKJRALWPZHPON-AWEZNQCLSA-N 1 0 342.351 2.871 20 5 EFBDRO [NH3+]CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000564804161 318893244 /nfs/dbraw/zinc/89/32/44/318893244.db2.gz TWZIFKRBBJAXSN-UHFFFAOYSA-N 1 0 329.347 2.757 20 5 EFBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845897 318899202 /nfs/dbraw/zinc/89/92/02/318899202.db2.gz XRQQEXFUAQOCAT-DLBZAZTESA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000565531163 318979719 /nfs/dbraw/zinc/97/97/19/318979719.db2.gz FNZDVBHFASEXGY-SCLBCKFNSA-N 1 0 349.431 2.843 20 5 EFBDRO CC[C@H](C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565593776 318985626 /nfs/dbraw/zinc/98/56/26/318985626.db2.gz DOUMOHHLUCDTNJ-QWHCGFSZSA-N 1 0 328.434 2.783 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000566111467 319034254 /nfs/dbraw/zinc/03/42/54/319034254.db2.gz GXCKSAARPMUJOS-LBPRGKRZSA-N 1 0 330.331 2.502 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000566125073 319036549 /nfs/dbraw/zinc/03/65/49/319036549.db2.gz OQJOHISTKCYNDM-RYQLBKOJSA-N 1 0 346.358 2.619 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000566423773 319073125 /nfs/dbraw/zinc/07/31/25/319073125.db2.gz PXMBTTFQFBGGGA-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000566476046 319081981 /nfs/dbraw/zinc/08/19/81/319081981.db2.gz SGIZUQFWXPONFO-DYVFJYSZSA-N 1 0 346.358 2.751 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000566668369 319100352 /nfs/dbraw/zinc/10/03/52/319100352.db2.gz KPVVMSQOQKITHK-MRXNPFEDSA-N 1 0 346.431 2.570 20 5 EFBDRO COc1ccc(CC(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000567666667 319193795 /nfs/dbraw/zinc/19/37/95/319193795.db2.gz DMQHMQGIGCTWEV-UHFFFAOYSA-N 1 0 349.431 2.575 20 5 EFBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567679443 319195411 /nfs/dbraw/zinc/19/54/11/319195411.db2.gz XNDCIEHYCQFRAM-AEFFLSMTSA-N 1 0 344.411 2.945 20 5 EFBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000567680996 319196078 /nfs/dbraw/zinc/19/60/78/319196078.db2.gz KBGVFHHUHNLFQJ-RHSMWYFYSA-N 1 0 344.415 2.555 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567692418 319198892 /nfs/dbraw/zinc/19/88/92/319198892.db2.gz SXHRTKAJSPLDRB-CQSZACIVSA-N 1 0 343.383 2.981 20 5 EFBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567710594 319201597 /nfs/dbraw/zinc/20/15/97/319201597.db2.gz NOVQZUGVAAYVFF-MNOVXSKESA-N 1 0 336.310 2.655 20 5 EFBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000568662580 319307209 /nfs/dbraw/zinc/30/72/09/319307209.db2.gz DGHFCSLJURFVMT-CKEIUWERSA-N 1 0 333.432 2.671 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000568758643 319316229 /nfs/dbraw/zinc/31/62/29/319316229.db2.gz WSTHXOIKHFGUQF-AWEZNQCLSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1ccc(Cc2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000568974918 319336173 /nfs/dbraw/zinc/33/61/73/319336173.db2.gz BYZIRSRXVQUDPT-UHFFFAOYSA-N 1 0 332.360 2.695 20 5 EFBDRO Cc1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000569214656 319359277 /nfs/dbraw/zinc/35/92/77/319359277.db2.gz XHGHUDNDTRPVNJ-UHFFFAOYSA-N 1 0 340.426 2.528 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000569246537 319362981 /nfs/dbraw/zinc/36/29/81/319362981.db2.gz GFTMCBOPGMTZAU-UONOGXRCSA-N 1 0 348.447 2.687 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000569246538 319363063 /nfs/dbraw/zinc/36/30/63/319363063.db2.gz GFTMCBOPGMTZAU-ZIAGYGMSSA-N 1 0 348.447 2.687 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000569379768 319376136 /nfs/dbraw/zinc/37/61/36/319376136.db2.gz QGHAYUJAGHVADC-OKILXGFUSA-N 1 0 329.400 2.888 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2cccs2)c1 ZINC000570273062 319460554 /nfs/dbraw/zinc/46/05/54/319460554.db2.gz MDWHODRVOLMQRU-CQSZACIVSA-N 1 0 336.413 2.618 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000570322253 319465095 /nfs/dbraw/zinc/46/50/95/319465095.db2.gz FSXMDUCKTVONQG-DOTOQJQBSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000570445035 319477530 /nfs/dbraw/zinc/47/75/30/319477530.db2.gz UNASDASYVMAJDV-ARFHVFGLSA-N 1 0 334.416 2.750 20 5 EFBDRO CC(=O)N1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000570463024 319479516 /nfs/dbraw/zinc/47/95/16/319479516.db2.gz OQHLRWLSOZWQLB-UHFFFAOYSA-N 1 0 331.397 2.644 20 5 EFBDRO CC(C)(C)C1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000570625906 319495461 /nfs/dbraw/zinc/49/54/61/319495461.db2.gz QMTVGQQHWQYMJU-XUJLQICISA-N 1 0 338.452 2.594 20 5 EFBDRO COc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000571059082 319538983 /nfs/dbraw/zinc/53/89/83/319538983.db2.gz JBBPCCCJUFDJCG-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000572619016 319688935 /nfs/dbraw/zinc/68/89/35/319688935.db2.gz VGSXSPOZAMLPNL-UHFFFAOYSA-N 1 0 347.346 2.861 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000572735201 319699858 /nfs/dbraw/zinc/69/98/58/319699858.db2.gz QXPOJUUVXXISGM-WWGRRREGSA-N 1 0 331.416 2.819 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000575060730 319921218 /nfs/dbraw/zinc/92/12/18/319921218.db2.gz LFCITHAQFURVDH-ZJUUUORDSA-N 1 0 334.401 2.574 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000576524425 320024022 /nfs/dbraw/zinc/02/40/22/320024022.db2.gz OZNFQIOCNNIQPJ-GDBMZVCRSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1noc([C@@H]2CC[C@H](C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])O2)n1 ZINC000576530244 320024336 /nfs/dbraw/zinc/02/43/36/320024336.db2.gz VMWVVFNFDRECFG-WPGHFRTFSA-N 1 0 344.371 2.783 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576815657 320051177 /nfs/dbraw/zinc/05/11/77/320051177.db2.gz FVEOGYLTTIOPMG-CABZTGNLSA-N 1 0 345.321 2.956 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000577629945 320130124 /nfs/dbraw/zinc/13/01/24/320130124.db2.gz WVSYGWLNBBKRBI-CYBMUJFWSA-N 1 0 347.415 2.875 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000577848865 320150388 /nfs/dbraw/zinc/15/03/88/320150388.db2.gz KGCFOGDNHDBCGD-HNNXBMFYSA-N 1 0 346.387 2.674 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000578026491 320166797 /nfs/dbraw/zinc/16/67/97/320166797.db2.gz VMPISGAPEWHKEE-HNNXBMFYSA-N 1 0 326.356 2.725 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578234607 320187461 /nfs/dbraw/zinc/18/74/61/320187461.db2.gz IKANPUJNWKTGPL-RHSMWYFYSA-N 1 0 347.415 2.814 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000578241927 320188299 /nfs/dbraw/zinc/18/82/99/320188299.db2.gz AQQSIFKOWGCETP-QWHCGFSZSA-N 1 0 347.415 2.655 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244934 320188562 /nfs/dbraw/zinc/18/85/62/320188562.db2.gz VIBWQTCXDLIHIC-KOLCDFICSA-N 1 0 345.346 2.516 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578725744 320232810 /nfs/dbraw/zinc/23/28/10/320232810.db2.gz VWOLWCVFKMEGQE-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578731536 320233444 /nfs/dbraw/zinc/23/34/44/320233444.db2.gz FCLXOLJLASLHQE-XJKSGUPXSA-N 1 0 339.823 2.971 20 5 EFBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181354785 323232830 /nfs/dbraw/zinc/23/28/30/323232830.db2.gz HXNUDFKVEAPUSL-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000181844272 323252944 /nfs/dbraw/zinc/25/29/44/323252944.db2.gz MRFBITYODCYOJA-CABCVRRESA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@@H]1CCC[C@H](C)CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181909953 323254878 /nfs/dbraw/zinc/25/48/78/323254878.db2.gz LYVBQNICJUTCIA-UONOGXRCSA-N 1 0 340.445 2.879 20 5 EFBDRO COC(=O)c1ccccc1OCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000182016828 323259711 /nfs/dbraw/zinc/25/97/11/323259711.db2.gz GDKPTTDHYIRWGL-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000182287745 323275138 /nfs/dbraw/zinc/27/51/38/323275138.db2.gz QOVKZCGCWHGDHX-KGLIPLIRSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000182336639 323277784 /nfs/dbraw/zinc/27/77/84/323277784.db2.gz KQCHZXKOQSXQQC-XEZPLFJOSA-N 1 0 335.404 2.777 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182968481 323310521 /nfs/dbraw/zinc/31/05/21/323310521.db2.gz JFTGGMHSQMEFMX-UHFFFAOYSA-N 1 0 345.852 2.797 20 5 EFBDRO C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185008240 323380051 /nfs/dbraw/zinc/38/00/51/323380051.db2.gz UKTXTWSGXRQTFB-CYBMUJFWSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185003590 323380151 /nfs/dbraw/zinc/38/01/51/323380151.db2.gz YVIIXTMWADLRPL-OLZOCXBDSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185162223 323385465 /nfs/dbraw/zinc/38/54/65/323385465.db2.gz RUNPBEPFBRYTKC-LBPRGKRZSA-N 1 0 337.395 2.686 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185235858 323388291 /nfs/dbraw/zinc/38/82/91/323388291.db2.gz KWWZNUAORRQJNR-JSGCOSHPSA-N 1 0 337.395 2.828 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185376708 323389869 /nfs/dbraw/zinc/38/98/69/323389869.db2.gz CZPRXXRAJSWTDN-TZMCWYRMSA-N 1 0 337.395 2.780 20 5 EFBDRO COc1ccccc1C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000185873105 323399588 /nfs/dbraw/zinc/39/95/88/323399588.db2.gz MYQLCPFLLWKADM-OAHLLOKOSA-N 1 0 332.404 2.657 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000580628627 324201207 /nfs/dbraw/zinc/20/12/07/324201207.db2.gz MSEMYBHTXYWDQH-GXFFZTMASA-N 1 0 344.337 2.929 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000580737433 324223456 /nfs/dbraw/zinc/22/34/56/324223456.db2.gz UCLZAHINEMEBDG-HOCLYGCPSA-N 1 0 346.358 2.751 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000581188616 324323761 /nfs/dbraw/zinc/32/37/61/324323761.db2.gz DNGZKXDQENDDFA-OAHLLOKOSA-N 1 0 343.383 2.867 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000581954143 324489156 /nfs/dbraw/zinc/48/91/56/324489156.db2.gz LAIGVBFYMVJHRT-NBMRYCAZSA-N 1 0 343.427 2.819 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000583560192 324832647 /nfs/dbraw/zinc/83/26/47/324832647.db2.gz YYVZGOTXKOXDBP-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000584099455 324929025 /nfs/dbraw/zinc/92/90/25/324929025.db2.gz DLRSONRRXBCUPU-HNNXBMFYSA-N 1 0 347.415 2.692 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000984569523 724384575 /nfs/dbraw/zinc/38/45/75/724384575.db2.gz TWFKCYMWYBQZBP-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO CCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155450075 472551253 /nfs/dbraw/zinc/55/12/53/472551253.db2.gz YQAKCZAMLGKMRG-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000093839821 473149348 /nfs/dbraw/zinc/14/93/48/473149348.db2.gz RGWLTHOOTQUYDH-NSHDSACASA-N 1 0 329.194 2.826 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000090184556 472607869 /nfs/dbraw/zinc/60/78/69/472607869.db2.gz KEJWLENLMLKTHP-ZDUSSCGKSA-N 1 0 349.431 2.951 20 5 EFBDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081520798 473213736 /nfs/dbraw/zinc/21/37/36/473213736.db2.gz VFNNZCDCOITMMT-UONOGXRCSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000095967983 473233380 /nfs/dbraw/zinc/23/33/80/473233380.db2.gz MEYQASBIIKIQLO-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000095979399 473240089 /nfs/dbraw/zinc/24/00/89/473240089.db2.gz NIEYZLGOVQGETH-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074317 473241741 /nfs/dbraw/zinc/24/17/41/473241741.db2.gz XFIMBSFFRMABIP-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140516185 473246890 /nfs/dbraw/zinc/24/68/90/473246890.db2.gz KGBRSIDTARCCIP-HBUWYVDXSA-N 1 0 347.415 2.549 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161682233 473252153 /nfs/dbraw/zinc/25/21/53/473252153.db2.gz WGNGESZVXYDEAA-KBPBESRZSA-N 1 0 333.432 2.682 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000112310070 473255226 /nfs/dbraw/zinc/25/52/26/473255226.db2.gz VSAPZZDQQMNHPS-UHFFFAOYSA-N 1 0 325.434 2.535 20 5 EFBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161776134 473261436 /nfs/dbraw/zinc/26/14/36/473261436.db2.gz MDZAHPFPYRGNNJ-AWEZNQCLSA-N 1 0 333.432 2.865 20 5 EFBDRO Cn1cc(C[NH2+]CC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171052164 473263816 /nfs/dbraw/zinc/26/38/16/473263816.db2.gz GPANOTSDBPIZIM-UHFFFAOYSA-N 1 0 330.388 2.512 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000161853504 473271343 /nfs/dbraw/zinc/27/13/43/473271343.db2.gz DYIKYKXRTARMCP-UHFFFAOYSA-N 1 0 343.387 2.567 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000143087446 473272099 /nfs/dbraw/zinc/27/20/99/473272099.db2.gz QQCCBSQHHVXKDZ-KRWDZBQOSA-N 1 0 339.395 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000486967777 468015469 /nfs/dbraw/zinc/01/54/69/468015469.db2.gz NMFBYWDYQHONIG-JSGCOSHPSA-N 1 0 329.360 2.684 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000081940905 473276499 /nfs/dbraw/zinc/27/64/99/473276499.db2.gz TUXYDYZUEKNTCO-UHFFFAOYSA-N 1 0 331.214 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000177001804 473284727 /nfs/dbraw/zinc/28/47/27/473284727.db2.gz LIAGATCSQSMNSV-UHFFFAOYSA-N 1 0 330.388 2.796 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161955718 473286047 /nfs/dbraw/zinc/28/60/47/473286047.db2.gz FEHWRXDAOAXZBB-AWEZNQCLSA-N 1 0 334.420 2.615 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000144439236 473286296 /nfs/dbraw/zinc/28/62/96/473286296.db2.gz BJHQMRGBBKTNIN-CYBMUJFWSA-N 1 0 331.416 2.859 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000162000488 473291929 /nfs/dbraw/zinc/29/19/29/473291929.db2.gz ABYDYDWTUXQRLS-QGZVFWFLSA-N 1 0 333.432 2.908 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000146037883 473296301 /nfs/dbraw/zinc/29/63/01/473296301.db2.gz SDMAOMZCJBCSOJ-UHFFFAOYSA-N 1 0 346.412 2.724 20 5 EFBDRO COc1cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000177055473 473297128 /nfs/dbraw/zinc/29/71/28/473297128.db2.gz XYTKMHSABIUHBI-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000162132985 473306674 /nfs/dbraw/zinc/30/66/74/473306674.db2.gz ICRCIGKKRXXYDJ-NWDGAFQWSA-N 1 0 346.412 2.718 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000124817732 473307818 /nfs/dbraw/zinc/30/78/18/473307818.db2.gz LAPDSMKBJHTLPN-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000162183900 473313947 /nfs/dbraw/zinc/31/39/47/473313947.db2.gz SJFBYDNHUHFQEN-GWCFXTLKSA-N 1 0 343.811 2.572 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000162183755 473314029 /nfs/dbraw/zinc/31/40/29/473314029.db2.gz SJFBYDNHUHFQEN-GXFFZTMASA-N 1 0 343.811 2.572 20 5 EFBDRO C[C@@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000162241324 473319883 /nfs/dbraw/zinc/31/98/83/473319883.db2.gz MJOYICMRDVRZNS-UONOGXRCSA-N 1 0 333.432 2.972 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919197 473332706 /nfs/dbraw/zinc/33/27/06/473332706.db2.gz SNLYMIKKXLXAGX-BQYQJAHWSA-N 1 0 343.427 2.942 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706820 469306753 /nfs/dbraw/zinc/30/67/53/469306753.db2.gz HKNMSMYWWYLUBG-CYBMUJFWSA-N 1 0 329.404 2.928 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000177274306 473346689 /nfs/dbraw/zinc/34/66/89/473346689.db2.gz GYSTVZMJYSNYAN-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000150758010 473348799 /nfs/dbraw/zinc/34/87/99/473348799.db2.gz HATQXCXSZRVGHV-HNNXBMFYSA-N 1 0 342.399 2.603 20 5 EFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125056238 473348200 /nfs/dbraw/zinc/34/82/00/473348200.db2.gz AIHHIKZNEWGSPK-CQSZACIVSA-N 1 0 343.383 2.813 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162497960 473348416 /nfs/dbraw/zinc/34/84/16/473348416.db2.gz BUCXELWZHLEMOY-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000162510105 473349705 /nfs/dbraw/zinc/34/97/05/473349705.db2.gz OOCWLGRMWQMBBT-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000162521301 473351326 /nfs/dbraw/zinc/35/13/26/473351326.db2.gz VRKDDBZLNZRWLM-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125070228 473352295 /nfs/dbraw/zinc/35/22/95/473352295.db2.gz DNJSBOYHFIEARY-MEDUHNTESA-N 1 0 332.360 2.553 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000177315037 473354042 /nfs/dbraw/zinc/35/40/42/473354042.db2.gz YGZAEMNWYGRPGJ-CABCVRRESA-N 1 0 349.431 2.541 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150796552 473356245 /nfs/dbraw/zinc/35/62/45/473356245.db2.gz QDKLHMIYDUMANR-MRXNPFEDSA-N 1 0 331.416 2.614 20 5 EFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000177330875 473356783 /nfs/dbraw/zinc/35/67/83/473356783.db2.gz AAZRRTYDFIFOFQ-WBVHZDCISA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185246569 473375414 /nfs/dbraw/zinc/37/54/14/473375414.db2.gz JWLAIZVJSCUGDX-CHWSQXEVSA-N 1 0 337.395 2.638 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000125220806 473375936 /nfs/dbraw/zinc/37/59/36/473375936.db2.gz ZGPPOCVPGQDHIQ-NWDGAFQWSA-N 1 0 349.387 2.773 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177449105 473378941 /nfs/dbraw/zinc/37/89/41/473378941.db2.gz ZOBNJBRHMPERLC-NEPJUHHUSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000162754627 473379573 /nfs/dbraw/zinc/37/95/73/473379573.db2.gz UYHWTBQCLMDLAC-JSGCOSHPSA-N 1 0 331.372 2.807 20 5 EFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000177454138 473380304 /nfs/dbraw/zinc/38/03/04/473380304.db2.gz IFZFTSLWSRUXDI-UHFFFAOYSA-N 1 0 335.379 2.871 20 5 EFBDRO Cn1c(CC[NH2+]Cc2ccccc2[N+](=O)[O-])nc2c1cccc2F ZINC000113358749 473388004 /nfs/dbraw/zinc/38/80/04/473388004.db2.gz OITYJNOAEYUPMI-UHFFFAOYSA-N 1 0 328.347 2.953 20 5 EFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411625926 477298456 /nfs/dbraw/zinc/29/84/56/477298456.db2.gz XYFBQAIOARMJNJ-SFHVURJKSA-N 1 0 349.431 2.796 20 5 EFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000592154817 478800592 /nfs/dbraw/zinc/80/05/92/478800592.db2.gz XXYNTDTYGPKTTI-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000595481420 478810215 /nfs/dbraw/zinc/81/02/15/478810215.db2.gz GXOCPIREJHRGRM-STQMWFEESA-N 1 0 336.310 2.641 20 5 EFBDRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602579375 479407013 /nfs/dbraw/zinc/40/70/13/479407013.db2.gz ANUCBZUPEHJNRM-DOTOQJQBSA-N 1 0 348.447 2.752 20 5 EFBDRO COC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000602579570 479407226 /nfs/dbraw/zinc/40/72/26/479407226.db2.gz APXWWEODEZGUJW-UHFFFAOYSA-N 1 0 348.321 2.899 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCOC1 ZINC000602638126 479441382 /nfs/dbraw/zinc/44/13/82/479441382.db2.gz CRTDELWBPZLOTP-CYBMUJFWSA-N 1 0 334.294 2.509 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602643878 479444223 /nfs/dbraw/zinc/44/42/23/479444223.db2.gz NUVFXZLXQVPSJV-OAHLLOKOSA-N 1 0 332.404 2.946 20 5 EFBDRO C[C@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000593882654 479495084 /nfs/dbraw/zinc/49/50/84/479495084.db2.gz JJSSQLAZBMUFKI-ZDUSSCGKSA-N 1 0 337.395 2.782 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000593882926 479495157 /nfs/dbraw/zinc/49/51/57/479495157.db2.gz LMQZQPWVTMGKHB-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO Cc1c(CC(=O)N2CCC[N@H+](CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000619868439 479898481 /nfs/dbraw/zinc/89/84/81/479898481.db2.gz UVGSPEKSYREMBY-UHFFFAOYSA-N 1 0 345.443 2.780 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868442 479898692 /nfs/dbraw/zinc/89/86/92/479898692.db2.gz WPDSBCCTFJEPCM-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(-n2cncn2)cn1 ZINC000616487226 479923627 /nfs/dbraw/zinc/92/36/27/479923627.db2.gz DGZUWHIWQKPICH-QPEQYQDCSA-N 1 0 336.355 2.508 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000007783613 471638115 /nfs/dbraw/zinc/63/81/15/471638115.db2.gz DXJQQYYJJCRMQW-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000008337262 471682275 /nfs/dbraw/zinc/68/22/75/471682275.db2.gz NBZHZICMTFIWIG-CYBMUJFWSA-N 1 0 343.412 2.990 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000010017725 471725811 /nfs/dbraw/zinc/72/58/11/471725811.db2.gz AZPYIKMDHISLPJ-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010018692 471726359 /nfs/dbraw/zinc/72/63/59/471726359.db2.gz BQJYSVNCXUBQCU-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO CNc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000010558230 471738969 /nfs/dbraw/zinc/73/89/69/471738969.db2.gz DSHUGDKKTPCCNZ-UHFFFAOYSA-N 1 0 334.420 2.676 20 5 EFBDRO NC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015171873 471891923 /nfs/dbraw/zinc/89/19/23/471891923.db2.gz FWBVWQGAFXZPHM-HNNXBMFYSA-N 1 0 344.371 2.536 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000067022408 471983520 /nfs/dbraw/zinc/98/35/20/471983520.db2.gz MBVPSLSRJADTOV-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000067373350 472024958 /nfs/dbraw/zinc/02/49/58/472024958.db2.gz JNTLIKKVQGKDGL-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000024204669 472049421 /nfs/dbraw/zinc/04/94/21/472049421.db2.gz HWEJJRLHAWMTSF-CQSZACIVSA-N 1 0 336.436 2.862 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000067722800 472079179 /nfs/dbraw/zinc/07/91/79/472079179.db2.gz QHANNEZAFABFQX-RDTXWAMCSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067722372 472079760 /nfs/dbraw/zinc/07/97/60/472079760.db2.gz JRWNENOVBQEJEY-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025441587 472097253 /nfs/dbraw/zinc/09/72/53/472097253.db2.gz MQNVZNMJPNMKPI-QGZVFWFLSA-N 1 0 339.395 2.901 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000042004595 472104540 /nfs/dbraw/zinc/10/45/40/472104540.db2.gz VHJWKUBSPUDECO-UHFFFAOYSA-N 1 0 329.356 2.536 20 5 EFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000025632842 472104980 /nfs/dbraw/zinc/10/49/80/472104980.db2.gz JWDKHUVCCRNEOL-CQSZACIVSA-N 1 0 339.395 2.771 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645784 472104996 /nfs/dbraw/zinc/10/49/96/472104996.db2.gz BWZYVXXSLACKPW-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000054647076 472105086 /nfs/dbraw/zinc/10/50/86/472105086.db2.gz XGGVQKWGJFDJTA-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161320 472125976 /nfs/dbraw/zinc/12/59/76/472125976.db2.gz ADEFJELCWMAATP-BETUJISGSA-N 1 0 335.404 2.910 20 5 EFBDRO C[N@H+](CCOc1ccccc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026222714 472128457 /nfs/dbraw/zinc/12/84/57/472128457.db2.gz JJDZMVGPZMLEQG-UHFFFAOYSA-N 1 0 343.383 2.934 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068085067 472132301 /nfs/dbraw/zinc/13/23/01/472132301.db2.gz KZQAWLIWUHANMM-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068122187 472137634 /nfs/dbraw/zinc/13/76/34/472137634.db2.gz DHYKPIYWDXLZQL-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000042495231 472139943 /nfs/dbraw/zinc/13/99/43/472139943.db2.gz LFRBPSPSTSJBIP-OAHLLOKOSA-N 1 0 345.399 2.871 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000068338389 472170952 /nfs/dbraw/zinc/17/09/52/472170952.db2.gz RFBDWEQIDSOUJY-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000068341924 472172369 /nfs/dbraw/zinc/17/23/69/472172369.db2.gz RQRKAUGGWYPPPG-TZMCWYRMSA-N 1 0 337.445 2.628 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075956263 472227224 /nfs/dbraw/zinc/22/72/24/472227224.db2.gz YYXKYCRBNUVJCN-LLVKDONJSA-N 1 0 326.784 2.806 20 5 EFBDRO Cc1nsc(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000075967452 472229850 /nfs/dbraw/zinc/22/98/50/472229850.db2.gz FEZISGWSUKONBB-UHFFFAOYSA-N 1 0 347.444 2.510 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055748450 472232945 /nfs/dbraw/zinc/23/29/45/472232945.db2.gz SQUYZRPCBULYDW-QLFBSQMISA-N 1 0 333.432 2.620 20 5 EFBDRO Cc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055748359 472232959 /nfs/dbraw/zinc/23/29/59/472232959.db2.gz HGDNXQRYDKJWKL-MJBXVCDLSA-N 1 0 333.432 2.999 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000069044419 472283819 /nfs/dbraw/zinc/28/38/19/472283819.db2.gz KELARQBIZPIPMM-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000069081729 472287811 /nfs/dbraw/zinc/28/78/11/472287811.db2.gz ZNEQHDWFZYCMDV-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029836635 472299363 /nfs/dbraw/zinc/29/93/63/472299363.db2.gz OPQOBUKOJDVFEM-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000029843302 472299860 /nfs/dbraw/zinc/29/98/60/472299860.db2.gz HDZNLPPKIMOJDF-CYBMUJFWSA-N 1 0 343.412 2.797 20 5 EFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1 ZINC000029871629 472301697 /nfs/dbraw/zinc/30/16/97/472301697.db2.gz VEGXYQNKZUXBLW-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1CCCCC1 ZINC000044389424 472303989 /nfs/dbraw/zinc/30/39/89/472303989.db2.gz JJLZYHKZMLJHRX-UHFFFAOYSA-N 1 0 329.198 2.650 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000056327970 472305651 /nfs/dbraw/zinc/30/56/51/472305651.db2.gz VPWZWILCNKULNO-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000087105638 472306252 /nfs/dbraw/zinc/30/62/52/472306252.db2.gz QKDBGOAXSXZJGA-GJZGRUSLSA-N 1 0 333.432 2.907 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000044487044 472310516 /nfs/dbraw/zinc/31/05/16/472310516.db2.gz CDQHITWLXKPTEN-NSHDSACASA-N 1 0 325.415 2.751 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000087323943 472325886 /nfs/dbraw/zinc/32/58/86/472325886.db2.gz PTFPOKDREQRIJF-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000030555696 472339809 /nfs/dbraw/zinc/33/98/09/472339809.db2.gz KNSDXGXWYGDVAP-UHFFFAOYSA-N 1 0 329.356 2.714 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000030771189 472347986 /nfs/dbraw/zinc/34/79/86/472347986.db2.gz CYSIQPZYLKNTRD-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000045122555 472374146 /nfs/dbraw/zinc/37/41/46/472374146.db2.gz CEBGNOKEFSKLCT-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045157006 472378862 /nfs/dbraw/zinc/37/88/62/472378862.db2.gz OGSDVFQTIGWMPK-UHFFFAOYSA-N 1 0 349.456 2.774 20 5 EFBDRO CNC(=O)c1ccc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000057148311 472385421 /nfs/dbraw/zinc/38/54/21/472385421.db2.gz GWWVHXRPIAPGEV-MGPQQGTHSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000613389712 479984321 /nfs/dbraw/zinc/98/43/21/479984321.db2.gz LDBLQVGEIHTQLH-KBXCAEBGSA-N 1 0 330.384 2.728 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000076744487 472396830 /nfs/dbraw/zinc/39/68/30/472396830.db2.gz DNZSMQMEXVMEJM-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO CC1CC[NH+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000076798389 472405290 /nfs/dbraw/zinc/40/52/90/472405290.db2.gz ULPXQMDRHCSZMS-UHFFFAOYSA-N 1 0 334.420 2.618 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154221121 472405263 /nfs/dbraw/zinc/40/52/63/472405263.db2.gz LSHHAGOCOHSIQB-CQSZACIVSA-N 1 0 337.395 2.974 20 5 EFBDRO Cc1c(CC(=O)Nc2cc(C[NH+](C)C)ccn2)cccc1[N+](=O)[O-] ZINC000128144397 472407692 /nfs/dbraw/zinc/40/76/92/472407692.db2.gz ZRUUVXJGSBYTSX-UHFFFAOYSA-N 1 0 328.372 2.541 20 5 EFBDRO Cc1c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000057287905 472410104 /nfs/dbraw/zinc/41/01/04/472410104.db2.gz OVBNXDAKEFAGOR-INIZCTEOSA-N 1 0 341.411 2.806 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000613390747 479985595 /nfs/dbraw/zinc/98/55/95/479985595.db2.gz YQLDCPZOKZNDHW-HOCLYGCPSA-N 1 0 330.384 2.728 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000154290845 472411530 /nfs/dbraw/zinc/41/15/30/472411530.db2.gz VYMIZTPJWNHPDG-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000154290739 472412361 /nfs/dbraw/zinc/41/23/61/472412361.db2.gz VYMIZTPJWNHPDG-MRXNPFEDSA-N 1 0 333.432 2.764 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000154376269 472425619 /nfs/dbraw/zinc/42/56/19/472425619.db2.gz RKEFNUFJYURJIE-QDTKCAEZSA-N 1 0 329.400 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000069797673 472435117 /nfs/dbraw/zinc/43/51/17/472435117.db2.gz WEZFVVROFYTYJE-ZDUSSCGKSA-N 1 0 339.823 2.797 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045625294 472436074 /nfs/dbraw/zinc/43/60/74/472436074.db2.gz VFRPBSZYGXJEJK-HUUCEWRRSA-N 1 0 348.447 2.762 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000045625284 472436204 /nfs/dbraw/zinc/43/62/04/472436204.db2.gz NVAWJOBVALTHEZ-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCc2ccccc2C1 ZINC000032445819 472437545 /nfs/dbraw/zinc/43/75/45/472437545.db2.gz PHMWILQRJIEURE-HNNXBMFYSA-N 1 0 343.383 2.755 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000069816816 472442605 /nfs/dbraw/zinc/44/26/05/472442605.db2.gz ZPYWTMRZRIIGEE-IRXDYDNUSA-N 1 0 349.431 2.857 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000128424053 472448106 /nfs/dbraw/zinc/44/81/06/472448106.db2.gz PDDYOUQRLMHEGU-IAGOWNOFSA-N 1 0 349.434 2.541 20 5 EFBDRO Cc1c(CN2CCN(CC(F)(F)F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128484621 472458031 /nfs/dbraw/zinc/45/80/31/472458031.db2.gz DUGHJKPJOAILMO-LLVKDONJSA-N 1 0 331.338 2.972 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000032735603 472461023 /nfs/dbraw/zinc/46/10/23/472461023.db2.gz VFXZYXOYDUWJML-CQSZACIVSA-N 1 0 331.372 2.783 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762320 472465197 /nfs/dbraw/zinc/46/51/97/472465197.db2.gz LRFZJQWMVSWKOZ-AWEZNQCLSA-N 1 0 348.428 2.562 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000128568179 472469222 /nfs/dbraw/zinc/46/92/22/472469222.db2.gz NGBUSFZIAVEXDH-GFCCVEGCSA-N 1 0 336.779 2.598 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618320 472470496 /nfs/dbraw/zinc/47/04/96/472470496.db2.gz QEFNQVHBVMPPDT-PWSUYJOCSA-N 1 0 345.321 2.717 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045830683 472471037 /nfs/dbraw/zinc/47/10/37/472471037.db2.gz REBZEPNMUKMIMC-MRXNPFEDSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)cc1 ZINC000057829773 472480945 /nfs/dbraw/zinc/48/09/45/472480945.db2.gz PDNCEWDHPMHFNY-HNNXBMFYSA-N 1 0 329.404 2.886 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000057913037 472491544 /nfs/dbraw/zinc/49/15/44/472491544.db2.gz MGIWGMUAAHBMGS-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000058092711 472505222 /nfs/dbraw/zinc/50/52/22/472505222.db2.gz HJPNXWUWIIHUKA-UHFFFAOYSA-N 1 0 346.383 2.953 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263362 472527657 /nfs/dbraw/zinc/52/76/57/472527657.db2.gz RQXKCWWTQQRUPG-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909646 472543999 /nfs/dbraw/zinc/54/39/99/472543999.db2.gz QPHYVAFERSDXTM-QGZVFWFLSA-N 1 0 345.355 2.635 20 5 EFBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927425 472547732 /nfs/dbraw/zinc/54/77/32/472547732.db2.gz ZNUYWMBPFGFGDY-OCCSQVGLSA-N 1 0 331.372 2.843 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000119524096 472562339 /nfs/dbraw/zinc/56/23/39/472562339.db2.gz RXYHSLGOUOZRCY-LBPRGKRZSA-N 1 0 335.795 2.752 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@@H]3C3CC3)o2)c1 ZINC000090007486 472579122 /nfs/dbraw/zinc/57/91/22/472579122.db2.gz SYLRBOUMXFNOFJ-MRXNPFEDSA-N 1 0 343.383 2.903 20 5 EFBDRO C[C@H](CCN1CCOCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000090046750 472586569 /nfs/dbraw/zinc/58/65/69/472586569.db2.gz IVLRQAOJSRLHKZ-JKSUJKDBSA-N 1 0 335.448 2.616 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046723264 472590409 /nfs/dbraw/zinc/59/04/09/472590409.db2.gz UZARFLIBKBDSFC-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000071899588 472606850 /nfs/dbraw/zinc/60/68/50/472606850.db2.gz BRPXMDURBIWUHI-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000071912059 472618259 /nfs/dbraw/zinc/61/82/59/472618259.db2.gz DEJKYRPKPJAARY-ZDUSSCGKSA-N 1 0 343.343 2.584 20 5 EFBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000120044056 472621528 /nfs/dbraw/zinc/62/15/28/472621528.db2.gz VJWCJSMYQKECGF-CQSZACIVSA-N 1 0 348.424 2.855 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000071952822 472625178 /nfs/dbraw/zinc/62/51/78/472625178.db2.gz RXBLOMLMDKERRJ-HNNXBMFYSA-N 1 0 329.404 2.713 20 5 EFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059371264 472625507 /nfs/dbraw/zinc/62/55/07/472625507.db2.gz OVNRAWJXFBBKMH-UHFFFAOYSA-N 1 0 325.412 2.955 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000090522682 472630771 /nfs/dbraw/zinc/63/07/71/472630771.db2.gz OPIYDONIPRGDQT-UHFFFAOYSA-N 1 0 349.431 2.570 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OCC ZINC000090538973 472632434 /nfs/dbraw/zinc/63/24/34/472632434.db2.gz GGUOEXBQUJUFKB-CYBMUJFWSA-N 1 0 348.403 2.940 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000120118696 472633312 /nfs/dbraw/zinc/63/33/12/472633312.db2.gz SIIKFFPCSUNLFL-AWEZNQCLSA-N 1 0 332.404 2.817 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000090549816 472633535 /nfs/dbraw/zinc/63/35/35/472633535.db2.gz DPQWUDSTFHBTTR-INIZCTEOSA-N 1 0 345.424 2.547 20 5 EFBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552050 472634877 /nfs/dbraw/zinc/63/48/77/472634877.db2.gz SSFOZIJYRADJAM-RHSMWYFYSA-N 1 0 327.384 2.635 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000046988375 472635252 /nfs/dbraw/zinc/63/52/52/472635252.db2.gz OXKYBPSBVFBJDZ-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1cccc(O)c1 ZINC000090551806 472635386 /nfs/dbraw/zinc/63/53/86/472635386.db2.gz APNZBVJCDIDXCK-ZDUSSCGKSA-N 1 0 331.372 2.545 20 5 EFBDRO Cc1csc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCC2)n1 ZINC000090559105 472635552 /nfs/dbraw/zinc/63/55/52/472635552.db2.gz QWWXMDAZPYWZJQ-UHFFFAOYSA-N 1 0 348.428 2.581 20 5 EFBDRO CC[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090610777 472642529 /nfs/dbraw/zinc/64/25/29/472642529.db2.gz KPGWMQQSOZCRFE-JDFRZJQESA-N 1 0 346.431 2.970 20 5 EFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000060380207 472650125 /nfs/dbraw/zinc/65/01/25/472650125.db2.gz WQILDAQJUQAHRH-ZDUSSCGKSA-N 1 0 340.855 2.934 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000060407550 472654214 /nfs/dbraw/zinc/65/42/14/472654214.db2.gz XBCPXIGYDTUNQI-UHFFFAOYSA-N 1 0 337.401 2.762 20 5 EFBDRO COc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047188225 472665589 /nfs/dbraw/zinc/66/55/89/472665589.db2.gz IHAJOCQPNZNFMU-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CCCCc1nc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2[nH]1 ZINC000120319485 472667576 /nfs/dbraw/zinc/66/75/76/472667576.db2.gz VRUDHRJKPVAJCE-UHFFFAOYSA-N 1 0 328.332 2.789 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579026 472669904 /nfs/dbraw/zinc/66/99/04/472669904.db2.gz KWBRCSWLHMMAOQ-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226948 472673337 /nfs/dbraw/zinc/67/33/37/472673337.db2.gz IDIYTWBNXFEGTH-VBNZEHGJSA-N 1 0 349.456 2.818 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120381759 472678159 /nfs/dbraw/zinc/67/81/59/472678159.db2.gz SWEYYGDEOQEJQT-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CCCC[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104673757 472681527 /nfs/dbraw/zinc/68/15/27/472681527.db2.gz HJUWYZQVPQVEQT-UHFFFAOYSA-N 1 0 333.388 2.887 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000061013550 472688057 /nfs/dbraw/zinc/68/80/57/472688057.db2.gz OQXXRRKYWQHSMZ-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000120463996 472693875 /nfs/dbraw/zinc/69/38/75/472693875.db2.gz IEXRYULCILJKLZ-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4n[nH]cc4C3)o2)c1 ZINC000091079127 472696373 /nfs/dbraw/zinc/69/63/73/472696373.db2.gz NDDAMHFUJFFSDU-UHFFFAOYSA-N 1 0 339.355 2.574 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061498003 472702624 /nfs/dbraw/zinc/70/26/24/472702624.db2.gz LZBLLWNDYVSOKE-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000091098739 472704943 /nfs/dbraw/zinc/70/49/43/472704943.db2.gz PBGHIBWIJYFQRY-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072731485 472709621 /nfs/dbraw/zinc/70/96/21/472709621.db2.gz TUVUHDJNHQJXFY-CQSZACIVSA-N 1 0 332.404 2.790 20 5 EFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156505725 472716279 /nfs/dbraw/zinc/71/62/79/472716279.db2.gz JXKCBXRQNWFPNN-XJKSGUPXSA-N 1 0 333.432 2.810 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156530204 472719757 /nfs/dbraw/zinc/71/97/57/472719757.db2.gz MNUJDIUFHUCQNK-PBHICJAKSA-N 1 0 330.388 2.753 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120662877 472726748 /nfs/dbraw/zinc/72/67/48/472726748.db2.gz AZWYVQYLGUZBGA-UHFFFAOYSA-N 1 0 338.404 2.731 20 5 EFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526627 472729203 /nfs/dbraw/zinc/72/92/03/472729203.db2.gz IPRWQQUPVKTUAN-HNNXBMFYSA-N 1 0 346.431 2.631 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@]1(CO)CCc2ccccc21 ZINC000132413860 472732754 /nfs/dbraw/zinc/73/27/54/472732754.db2.gz HYXVFVDFCKYREA-GOSISDBHSA-N 1 0 328.368 2.527 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984519 472750987 /nfs/dbraw/zinc/75/09/87/472750987.db2.gz CLOUYOHUXWPLPC-NSHDSACASA-N 1 0 343.225 2.673 20 5 EFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000105481599 472754424 /nfs/dbraw/zinc/75/44/24/472754424.db2.gz OUMVSRQZISRQHD-LLVKDONJSA-N 1 0 331.397 2.692 20 5 EFBDRO Nc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000063273150 472765148 /nfs/dbraw/zinc/76/51/48/472765148.db2.gz GEDAJZDZPQSYGD-UHFFFAOYSA-N 1 0 346.431 2.561 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC ZINC000120897508 472765126 /nfs/dbraw/zinc/76/51/26/472765126.db2.gz HVDMCMCMWPHUBZ-UHFFFAOYSA-N 1 0 335.360 2.805 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000091457378 472767772 /nfs/dbraw/zinc/76/77/72/472767772.db2.gz MBRPPFKOLSQIAZ-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000133039861 472770691 /nfs/dbraw/zinc/77/06/91/472770691.db2.gz DPXNTGRCEUKNPD-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000091478887 472770999 /nfs/dbraw/zinc/77/09/99/472770999.db2.gz VZINTOXJBNXSKZ-GJZGRUSLSA-N 1 0 333.432 2.920 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120998726 472780991 /nfs/dbraw/zinc/78/09/91/472780991.db2.gz CSZIHUSJHDUTTI-OFQRWUPVSA-N 1 0 348.447 2.946 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000063505346 472784413 /nfs/dbraw/zinc/78/44/13/472784413.db2.gz NKUPZQXLTVNQLV-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000073247297 472788389 /nfs/dbraw/zinc/78/83/89/472788389.db2.gz WWKNTEISHKDKLG-UHFFFAOYSA-N 1 0 349.431 2.558 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157203786 472795218 /nfs/dbraw/zinc/79/52/18/472795218.db2.gz PMRUSLNELAIKJD-ZIAGYGMSSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157206696 472796811 /nfs/dbraw/zinc/79/68/11/472796811.db2.gz GLAPRCLMQVJYJA-GUFYHEMZSA-N 1 0 329.400 2.551 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000157226243 472798240 /nfs/dbraw/zinc/79/82/40/472798240.db2.gz SBGFPMMTWSLWIL-UHFFFAOYSA-N 1 0 343.383 2.504 20 5 EFBDRO Cc1cnccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000121111557 472799710 /nfs/dbraw/zinc/79/97/10/472799710.db2.gz NGNLGJYCIZCHHX-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157246078 472799885 /nfs/dbraw/zinc/79/98/85/472799885.db2.gz VBSNZECEUMWDMB-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000063692883 472801124 /nfs/dbraw/zinc/80/11/24/472801124.db2.gz UDEJKWPVVXNZNW-OAHLLOKOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000133435764 472802793 /nfs/dbraw/zinc/80/27/93/472802793.db2.gz QVUXDVRPTSOAEM-SJKOYZFVSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000063706120 472803131 /nfs/dbraw/zinc/80/31/31/472803131.db2.gz PZVZDZKXPAFPHR-LBPRGKRZSA-N 1 0 330.388 2.536 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133451563 472804326 /nfs/dbraw/zinc/80/43/26/472804326.db2.gz NYTOZTZFVKSQOL-CJNGLKHVSA-N 1 0 347.415 2.692 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063725315 472806414 /nfs/dbraw/zinc/80/64/14/472806414.db2.gz UYUPHJQVJRLAJI-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091898705 472824386 /nfs/dbraw/zinc/82/43/86/472824386.db2.gz CTWKFLUGALDYDI-YOEHRIQHSA-N 1 0 344.415 2.588 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000048314550 472854492 /nfs/dbraw/zinc/85/44/92/472854492.db2.gz ZNQPDMKPIYUKPD-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2N1 ZINC000106473360 472855738 /nfs/dbraw/zinc/85/57/38/472855738.db2.gz CLUDRZNXJWDHNT-ZDUSSCGKSA-N 1 0 344.415 2.908 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1ccncc1 ZINC000121477898 472858444 /nfs/dbraw/zinc/85/84/44/472858444.db2.gz PFSOVPFWCGSPCG-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000073772139 472871814 /nfs/dbraw/zinc/87/18/14/472871814.db2.gz YHQWGWLGULDGGJ-UHFFFAOYSA-N 1 0 341.415 2.614 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064738651 472873914 /nfs/dbraw/zinc/87/39/14/472873914.db2.gz OQROFQTUJCBXHP-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253956 472884018 /nfs/dbraw/zinc/88/40/18/472884018.db2.gz BKNTVLLIYKTIKF-GFCCVEGCSA-N 1 0 343.374 2.970 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134196330 472884719 /nfs/dbraw/zinc/88/47/19/472884719.db2.gz DPNJJJFAIIYYMK-OAHLLOKOSA-N 1 0 344.415 2.609 20 5 EFBDRO Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000106876719 472904578 /nfs/dbraw/zinc/90/45/78/472904578.db2.gz QOHHBTRMZQBAHP-JTQLQIEISA-N 1 0 348.428 2.960 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065208846 472907787 /nfs/dbraw/zinc/90/77/87/472907787.db2.gz VEVJXGAGQBUDSG-UHFFFAOYSA-N 1 0 346.383 2.993 20 5 EFBDRO Cn1cc(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000158217436 472908990 /nfs/dbraw/zinc/90/89/90/472908990.db2.gz QCZPJNFEXLYHRO-QGZVFWFLSA-N 1 0 328.416 2.872 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000092470903 472919483 /nfs/dbraw/zinc/91/94/83/472919483.db2.gz PZIKOHPQUNVIQU-GFCCVEGCSA-N 1 0 332.356 2.820 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000134545807 472926480 /nfs/dbraw/zinc/92/64/80/472926480.db2.gz NGSWUKSNDMDADP-OAHLLOKOSA-N 1 0 349.456 2.701 20 5 EFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000107262125 472936831 /nfs/dbraw/zinc/93/68/31/472936831.db2.gz UAHRCPMQNHATOW-UHFFFAOYSA-N 1 0 342.399 2.502 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000079985118 472953274 /nfs/dbraw/zinc/95/32/74/472953274.db2.gz XHPIRSVEHAEHAI-UONOGXRCSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121984707 472959234 /nfs/dbraw/zinc/95/92/34/472959234.db2.gz AVFZOUFLNRGJPT-QMTHXVAHSA-N 1 0 325.796 2.519 20 5 EFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000158709175 472962207 /nfs/dbraw/zinc/96/22/07/472962207.db2.gz RXXPQAOIHZFXNJ-GOEBONIOSA-N 1 0 349.406 2.750 20 5 EFBDRO CC(C)(CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000049786314 472964628 /nfs/dbraw/zinc/96/46/28/472964628.db2.gz GLPYMDXDXRKOJZ-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000107605975 472967039 /nfs/dbraw/zinc/96/70/39/472967039.db2.gz FWFGADXPPWOESG-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCOC1 ZINC000107686868 472973054 /nfs/dbraw/zinc/97/30/54/472973054.db2.gz OQWMRVNDZNXFOX-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134840810 472975042 /nfs/dbraw/zinc/97/50/42/472975042.db2.gz KOMQEDKVESIOBS-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000080097567 472975678 /nfs/dbraw/zinc/97/56/78/472975678.db2.gz JGZRCYIXGRPQAI-CYBMUJFWSA-N 1 0 326.784 2.710 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000122140233 472979373 /nfs/dbraw/zinc/97/93/73/472979373.db2.gz JGYJHRGJRLUMNV-YJBOKZPZSA-N 1 0 335.448 2.992 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287070 472979357 /nfs/dbraw/zinc/97/93/57/472979357.db2.gz YPOQNBQKULTRMQ-GJZGRUSLSA-N 1 0 346.387 2.770 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000074326672 472989733 /nfs/dbraw/zinc/98/97/33/472989733.db2.gz FNDQPXLPBTVXQR-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000065622237 472993584 /nfs/dbraw/zinc/99/35/84/472993584.db2.gz ZQOMXMLDDMOCIK-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134931195 472993830 /nfs/dbraw/zinc/99/38/30/472993830.db2.gz NOTZGVQBOPUDIA-WMLDXEAASA-N 1 0 339.395 2.988 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000080248875 473002904 /nfs/dbraw/zinc/00/29/04/473002904.db2.gz DRPQQDSUWNEQCQ-UHFFFAOYSA-N 1 0 348.447 2.864 20 5 EFBDRO C[N@H+](CCCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000065865544 473020503 /nfs/dbraw/zinc/02/05/03/473020503.db2.gz XMPNNUXNHVDJGV-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO COCCCOC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000122631785 473039706 /nfs/dbraw/zinc/03/97/06/473039706.db2.gz UKTUPWBFLZGWGA-UHFFFAOYSA-N 1 0 326.368 2.751 20 5 EFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000135264909 473046437 /nfs/dbraw/zinc/04/64/37/473046437.db2.gz LJNXBBXOOOEVBP-AOOOYVTPSA-N 1 0 328.210 2.886 20 5 EFBDRO CC[N@H+](CCc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051402781 473047363 /nfs/dbraw/zinc/04/73/63/473047363.db2.gz ADEBKPNICPEZOD-SFHVURJKSA-N 1 0 344.411 2.899 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157942 473050408 /nfs/dbraw/zinc/05/04/08/473050408.db2.gz MYRUETURGDTGIE-GFCCVEGCSA-N 1 0 338.795 2.950 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000159711729 473053762 /nfs/dbraw/zinc/05/37/62/473053762.db2.gz RPBSZYQWBGSABU-UHFFFAOYSA-N 1 0 327.384 2.636 20 5 EFBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000066372745 473083545 /nfs/dbraw/zinc/08/35/45/473083545.db2.gz LCRWLXAJXASACA-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160178694 473093769 /nfs/dbraw/zinc/09/37/69/473093769.db2.gz IVSBYUHRCZFBKY-MRXNPFEDSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000123160444 473103975 /nfs/dbraw/zinc/10/39/75/473103975.db2.gz YPTVPDHREXYZGN-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO CC[C@@]1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000135698212 473107190 /nfs/dbraw/zinc/10/71/90/473107190.db2.gz URWRYHBSPINLBJ-INIZCTEOSA-N 1 0 332.360 2.646 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433930 473107496 /nfs/dbraw/zinc/10/74/96/473107496.db2.gz PIWIOWLUUIEHLK-SNVBAGLBSA-N 1 0 343.225 2.895 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000093433878 473107924 /nfs/dbraw/zinc/10/79/24/473107924.db2.gz TZOSBGHHHYFPLS-VIFPVBQESA-N 1 0 341.209 2.649 20 5 EFBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434026 473108003 /nfs/dbraw/zinc/10/80/03/473108003.db2.gz BAKLSOZQDXOVAB-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+](C)C ZINC000135706327 473108545 /nfs/dbraw/zinc/10/85/45/473108545.db2.gz FAOGCYWLTUFOCW-GFCCVEGCSA-N 1 0 346.431 2.711 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959059 473112577 /nfs/dbraw/zinc/11/25/77/473112577.db2.gz UABKFQRPKJLOCX-ZDUSSCGKSA-N 1 0 343.387 2.526 20 5 EFBDRO CCc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534228 473117148 /nfs/dbraw/zinc/11/71/48/473117148.db2.gz MQHAYDXYQVWEMD-LLVKDONJSA-N 1 0 333.417 2.695 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000075063826 473119681 /nfs/dbraw/zinc/11/96/81/473119681.db2.gz FQAAQJVOZUGNKX-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000052641298 473136555 /nfs/dbraw/zinc/13/65/55/473136555.db2.gz GXQWYJTVVVLVHV-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066865611 473165982 /nfs/dbraw/zinc/16/59/82/473165982.db2.gz XLUKTLSSJNKNGJ-SNVBAGLBSA-N 1 0 329.784 2.544 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000066921112 473176013 /nfs/dbraw/zinc/17/60/13/473176013.db2.gz IWMRPHSKBDCPHX-SFHVURJKSA-N 1 0 339.395 2.876 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066944116 473180538 /nfs/dbraw/zinc/18/05/38/473180538.db2.gz INYUBOPCKJJFHD-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO CCc1nn(C)c(N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000094151126 473181705 /nfs/dbraw/zinc/18/17/05/473181705.db2.gz JHHVQKUVVJIYJC-UHFFFAOYSA-N 1 0 335.452 2.593 20 5 EFBDRO CCOc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000066948233 473183389 /nfs/dbraw/zinc/18/33/89/473183389.db2.gz RRLKEYKMCJQYGY-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136914419 473184966 /nfs/dbraw/zinc/18/49/66/473184966.db2.gz ZPZRIJVNXPCZCW-KPZWWZAWSA-N 1 0 343.383 2.937 20 5 EFBDRO CC(C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+]1CCOCC1 ZINC000075469904 473190006 /nfs/dbraw/zinc/19/00/06/473190006.db2.gz MNULSXIWIRTAOZ-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000137023785 473191532 /nfs/dbraw/zinc/19/15/32/473191532.db2.gz BVRDUPXQXVPPFU-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838021 473192020 /nfs/dbraw/zinc/19/20/20/473192020.db2.gz XQAMOWRTLQBLJS-HNNXBMFYSA-N 1 0 344.415 2.662 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000137076067 473193042 /nfs/dbraw/zinc/19/30/42/473193042.db2.gz AAEXZEJSZXGGKX-GOSISDBHSA-N 1 0 333.432 2.579 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000123897860 473195954 /nfs/dbraw/zinc/19/59/54/473195954.db2.gz YUWVQZOMHYOEBM-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185324959 473394926 /nfs/dbraw/zinc/39/49/26/473394926.db2.gz DYINSFAKQUTZMD-GFCCVEGCSA-N 1 0 349.337 2.524 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000177571406 473400572 /nfs/dbraw/zinc/40/05/72/473400572.db2.gz SZFACJNAAYNSOZ-GXTWGEPZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177679570 473415249 /nfs/dbraw/zinc/41/52/49/473415249.db2.gz NGQRRLWTPDLPLJ-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000171595252 473418414 /nfs/dbraw/zinc/41/84/14/473418414.db2.gz JTEJQGHKZSLHJJ-GOSISDBHSA-N 1 0 342.395 2.783 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000185414629 473420545 /nfs/dbraw/zinc/42/05/45/473420545.db2.gz IIAYRSWYZHIVRN-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000185417743 473421546 /nfs/dbraw/zinc/42/15/46/473421546.db2.gz OTFDYQXFMYZPHS-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177725781 473425268 /nfs/dbraw/zinc/42/52/68/473425268.db2.gz LKLJYYVYGQMDSS-WDEREUQCSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185489515 473439767 /nfs/dbraw/zinc/43/97/67/473439767.db2.gz JSHAQSBINFWIPY-SDDRHHMPSA-N 1 0 335.379 2.579 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185511155 473445779 /nfs/dbraw/zinc/44/57/79/473445779.db2.gz CVSUHUNZGYNKBN-CYBMUJFWSA-N 1 0 334.420 2.700 20 5 EFBDRO COc1cccc(NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000185514609 473445813 /nfs/dbraw/zinc/44/58/13/473445813.db2.gz CUPMJYOHTUCROU-UHFFFAOYSA-N 1 0 337.420 2.905 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171838251 473467444 /nfs/dbraw/zinc/46/74/44/473467444.db2.gz KXEQWXUAMMLVAM-BBRMVZONSA-N 1 0 334.420 2.829 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000151521122 473468169 /nfs/dbraw/zinc/46/81/69/473468169.db2.gz ZNPKAINYAOGMAJ-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000114489987 473476615 /nfs/dbraw/zinc/47/66/15/473476615.db2.gz FZTCTWXEFJAXGV-KRWDZBQOSA-N 1 0 339.395 2.683 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164068635 473476711 /nfs/dbraw/zinc/47/67/11/473476711.db2.gz WQXUAAOYSBKUNX-GOEBONIOSA-N 1 0 346.431 2.583 20 5 EFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000185652522 473478153 /nfs/dbraw/zinc/47/81/53/473478153.db2.gz APQKIYNMTGURCB-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151619374 473479014 /nfs/dbraw/zinc/47/90/14/473479014.db2.gz GLLKTRNENNBPAQ-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000114641849 473488455 /nfs/dbraw/zinc/48/84/55/473488455.db2.gz QUDAITCQLJJSSH-AWEZNQCLSA-N 1 0 329.356 2.582 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000114643909 473488998 /nfs/dbraw/zinc/48/89/98/473488998.db2.gz NJRIBBBHMLKYSQ-SFHVURJKSA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329814 473492467 /nfs/dbraw/zinc/49/24/67/473492467.db2.gz LRDXTICJSQMVLE-WBVHZDCISA-N 1 0 335.448 2.911 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000126218155 473498857 /nfs/dbraw/zinc/49/88/57/473498857.db2.gz VUOKZOPXNAGROQ-HNNXBMFYSA-N 1 0 333.432 2.636 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000126317252 473507181 /nfs/dbraw/zinc/50/71/81/473507181.db2.gz FTYZNBMJDUIUMF-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172071702 473515084 /nfs/dbraw/zinc/51/50/84/473515084.db2.gz NQLSLCXDELCWEH-KRWDZBQOSA-N 1 0 334.372 2.732 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000172070362 473515122 /nfs/dbraw/zinc/51/51/22/473515122.db2.gz CRFGHMPVLIYVIY-QGZVFWFLSA-N 1 0 334.372 2.732 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165824347 473516813 /nfs/dbraw/zinc/51/68/13/473516813.db2.gz ZKSVDIUATKUKKU-SNVBAGLBSA-N 1 0 343.225 2.626 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000165794851 473516871 /nfs/dbraw/zinc/51/68/71/473516871.db2.gz UVBDHYDYMXNADP-PSASIEDQSA-N 1 0 343.225 2.955 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126456785 473518432 /nfs/dbraw/zinc/51/84/32/473518432.db2.gz PFYGWGHQRIWNNX-MAUKXSAKSA-N 1 0 343.427 2.613 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000126504783 473522820 /nfs/dbraw/zinc/52/28/20/473522820.db2.gz ULZUEVFEXWPSMS-YDHLFZDLSA-N 1 0 346.431 2.889 20 5 EFBDRO [NH3+][C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000152144395 473528612 /nfs/dbraw/zinc/52/86/12/473528612.db2.gz KXRDFHWUPNRJNT-KRWDZBQOSA-N 1 0 342.399 2.603 20 5 EFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCO)c([N+](=O)[O-])c1 ZINC000126624531 473531220 /nfs/dbraw/zinc/53/12/20/473531220.db2.gz PJXZTMUMVHGDLE-KRWDZBQOSA-N 1 0 343.383 2.507 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccoc1C ZINC000178724020 473548688 /nfs/dbraw/zinc/54/86/88/473548688.db2.gz QBZMPVPUNVIHSK-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC(C)(C)C1 ZINC000178766302 473557025 /nfs/dbraw/zinc/55/70/25/473557025.db2.gz UWDULKIYSZKYES-HNNXBMFYSA-N 1 0 335.448 2.616 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172252086 473561308 /nfs/dbraw/zinc/56/13/08/473561308.db2.gz QESGHNVXDQFVTK-OAHLLOKOSA-N 1 0 334.420 2.659 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000152433762 473562887 /nfs/dbraw/zinc/56/28/87/473562887.db2.gz MNBKQSMTSAMQOJ-XJKSGUPXSA-N 1 0 332.404 2.851 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185983287 473564975 /nfs/dbraw/zinc/56/49/75/473564975.db2.gz BJULNZVMEALLIK-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H](O)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172269389 473565882 /nfs/dbraw/zinc/56/58/82/473565882.db2.gz KTHVVKNFAFUMQR-INIZCTEOSA-N 1 0 346.431 2.882 20 5 EFBDRO CC(C)c1nccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000127013431 473567875 /nfs/dbraw/zinc/56/78/75/473567875.db2.gz RVWYZKYIDZFPEY-GFCCVEGCSA-N 1 0 328.376 2.594 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115442282 473570390 /nfs/dbraw/zinc/57/03/90/473570390.db2.gz OOUVFDBLCHRDBQ-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178819483 473571155 /nfs/dbraw/zinc/57/11/55/473571155.db2.gz YPJWIQUOLRGUIQ-RYUDHWBXSA-N 1 0 337.445 2.661 20 5 EFBDRO CSc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115442571 473571098 /nfs/dbraw/zinc/57/10/98/473571098.db2.gz LFJZXEZQQFGQFN-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO CN(C)c1noc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898453 473587489 /nfs/dbraw/zinc/58/74/89/473587489.db2.gz MVKZHJUYTGMSGV-GXTWGEPZSA-N 1 0 345.403 2.545 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152668901 473587929 /nfs/dbraw/zinc/58/79/29/473587929.db2.gz YCGKQFQFVOWGFU-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000152853404 473597395 /nfs/dbraw/zinc/59/73/95/473597395.db2.gz ASSSDPDPJLJNDU-UHFFFAOYSA-N 1 0 334.420 2.585 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419888 473606531 /nfs/dbraw/zinc/60/65/31/473606531.db2.gz BLZZDIHEEICIEC-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153222724 473613447 /nfs/dbraw/zinc/61/34/47/473613447.db2.gz VMSSBYCOZAXYMQ-YNEHKIRRSA-N 1 0 333.388 2.662 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153377384 473621850 /nfs/dbraw/zinc/62/18/50/473621850.db2.gz LRLAKMIBDWOWRG-STQMWFEESA-N 1 0 331.372 2.625 20 5 EFBDRO CSCC[C@H](C)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172500424 473625763 /nfs/dbraw/zinc/62/57/63/473625763.db2.gz AQZHUHXFNAJUPF-LBPRGKRZSA-N 1 0 348.428 2.994 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127726540 473644514 /nfs/dbraw/zinc/64/45/14/473644514.db2.gz HPDRYTAWCUEOCF-KRWDZBQOSA-N 1 0 349.431 2.663 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1[N+](=O)[O-] ZINC000153940554 473652515 /nfs/dbraw/zinc/65/25/15/473652515.db2.gz WAWKJYWDRKUKDI-YPMHNXCESA-N 1 0 328.434 2.758 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170977484 473658955 /nfs/dbraw/zinc/65/89/55/473658955.db2.gz GFDHAQGKFRFEGN-LLVKDONJSA-N 1 0 333.413 2.881 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000154023871 473661160 /nfs/dbraw/zinc/66/11/60/473661160.db2.gz SQMIPSUDAKGBAZ-ZDUSSCGKSA-N 1 0 349.456 2.921 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000154102821 473667168 /nfs/dbraw/zinc/66/71/68/473667168.db2.gz IEUYJPZRXQQFSX-GFCCVEGCSA-N 1 0 325.434 2.897 20 5 EFBDRO CN(Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179315218 473673178 /nfs/dbraw/zinc/67/31/78/473673178.db2.gz DOSUUIKYHPCTDZ-UHFFFAOYSA-N 1 0 348.428 2.520 20 5 EFBDRO COC(=O)[C@H](C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000192379614 473675337 /nfs/dbraw/zinc/67/53/37/473675337.db2.gz MIGHWBMDLYBIGV-ZDUSSCGKSA-N 1 0 336.388 2.780 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000186462198 473677396 /nfs/dbraw/zinc/67/73/96/473677396.db2.gz LKNXQGUUKKWKTQ-HOTGVXAUSA-N 1 0 347.415 2.736 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186481768 473680435 /nfs/dbraw/zinc/68/04/35/473680435.db2.gz LPDRVFVCANJBLH-SJCJKPOMSA-N 1 0 342.399 2.598 20 5 EFBDRO COCCC[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000172771430 473682509 /nfs/dbraw/zinc/68/25/09/473682509.db2.gz PVXACYSLHHNAKR-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000192469970 473682936 /nfs/dbraw/zinc/68/29/36/473682936.db2.gz SMFOZWBHZNLBMR-LJQANCHMSA-N 1 0 341.411 2.908 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000179395489 473684539 /nfs/dbraw/zinc/68/45/39/473684539.db2.gz XFSILSXUIFTOBH-GFCCVEGCSA-N 1 0 347.371 2.667 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000179405572 473685056 /nfs/dbraw/zinc/68/50/56/473685056.db2.gz KTWXVBLNKYTNDL-CHWSQXEVSA-N 1 0 335.404 2.655 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000192507616 473686903 /nfs/dbraw/zinc/68/69/03/473686903.db2.gz UOLKUQHTCREYCZ-UGSOOPFHSA-N 1 0 327.384 2.955 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192522312 473688170 /nfs/dbraw/zinc/68/81/70/473688170.db2.gz GMGOIUIRRNUZOR-BETUJISGSA-N 1 0 349.456 2.729 20 5 EFBDRO NC(=O)[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179576688 473696017 /nfs/dbraw/zinc/69/60/17/473696017.db2.gz RWBUBTDOSXJTJY-CQSZACIVSA-N 1 0 349.774 2.958 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274006029 473701366 /nfs/dbraw/zinc/70/13/66/473701366.db2.gz UHAHOUUUOYSJMN-UKRRQHHQSA-N 1 0 327.388 2.707 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245448989 473703246 /nfs/dbraw/zinc/70/32/46/473703246.db2.gz NIRSKPDRYHAAPC-GDBMZVCRSA-N 1 0 348.447 2.728 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262648299 473705677 /nfs/dbraw/zinc/70/56/77/473705677.db2.gz WESKDFGBXAALEO-SLEUVZQESA-N 1 0 337.445 2.709 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287630131 473717009 /nfs/dbraw/zinc/71/70/09/473717009.db2.gz QEYOINQNNLOMHW-DZGCQCFKSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@@H]1[NH2+]CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262745167 473718958 /nfs/dbraw/zinc/71/89/58/473718958.db2.gz FSOYJVUJEVOTDG-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000262763008 473720668 /nfs/dbraw/zinc/72/06/68/473720668.db2.gz ISLKRYJPNJJHGG-MNOVXSKESA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000269186673 473723628 /nfs/dbraw/zinc/72/36/28/473723628.db2.gz GCWKMWFAVQLYQL-GXFFZTMASA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192799225 473727858 /nfs/dbraw/zinc/72/78/58/473727858.db2.gz SWDYRKRKWBGNDM-DGCLKSJQSA-N 1 0 349.387 2.773 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262880744 473733474 /nfs/dbraw/zinc/73/34/74/473733474.db2.gz NJLAKCWMZFIMHI-PWSUYJOCSA-N 1 0 346.412 2.589 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262880742 473733925 /nfs/dbraw/zinc/73/39/25/473733925.db2.gz NJLAKCWMZFIMHI-CMPLNLGQSA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000179834377 473738704 /nfs/dbraw/zinc/73/87/04/473738704.db2.gz HZNSKJXEZJATOO-UHFFFAOYSA-N 1 0 337.420 2.574 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000245718303 473739820 /nfs/dbraw/zinc/73/98/20/473739820.db2.gz QQVGLHMLDOWVIC-AEFFLSMTSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000179870480 473745199 /nfs/dbraw/zinc/74/51/99/473745199.db2.gz KTKZHOPTSICRER-NSHDSACASA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000179865761 473745809 /nfs/dbraw/zinc/74/58/09/473745809.db2.gz MJOAWYBURWBOKJ-NSHDSACASA-N 1 0 332.360 2.550 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509775 473746304 /nfs/dbraw/zinc/74/63/04/473746304.db2.gz YQMCKDSNIYQXJG-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173107543 473746665 /nfs/dbraw/zinc/74/66/65/473746665.db2.gz KKCJKFIICMMASC-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000281511776 473746851 /nfs/dbraw/zinc/74/68/51/473746851.db2.gz ABOQNGMQYSOAGE-HSZRJFAPSA-N 1 0 334.397 2.856 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000274156238 473747064 /nfs/dbraw/zinc/74/70/64/473747064.db2.gz JOHRKDVKRMNEHD-GOSISDBHSA-N 1 0 331.416 2.718 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173156651 473757785 /nfs/dbraw/zinc/75/77/85/473757785.db2.gz MKMUEESWPZAGTB-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315889 473780921 /nfs/dbraw/zinc/78/09/21/473780921.db2.gz FBYFSVCDAVMPLB-OAHLLOKOSA-N 1 0 334.347 2.606 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281668553 473801002 /nfs/dbraw/zinc/80/10/02/473801002.db2.gz JOOJJPGUEZQTIY-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000281669218 473801154 /nfs/dbraw/zinc/80/11/54/473801154.db2.gz LLIXWCRCLGGDDU-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1(C)C ZINC000281686134 473806099 /nfs/dbraw/zinc/80/60/99/473806099.db2.gz RFPLSITYTWMYES-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287950605 473807217 /nfs/dbraw/zinc/80/72/17/473807217.db2.gz YCDXZYDJYMYDSV-GOSISDBHSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173357956 473815166 /nfs/dbraw/zinc/81/51/66/473815166.db2.gz BNNWJPRMKKNZND-GFCCVEGCSA-N 1 0 339.351 2.542 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000274429914 473819741 /nfs/dbraw/zinc/81/97/41/473819741.db2.gz FSTXZLJAZUNVSU-ZDUSSCGKSA-N 1 0 339.823 2.780 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000246299373 473822253 /nfs/dbraw/zinc/82/22/53/473822253.db2.gz PORRKLROZJUCOY-YOEHRIQHSA-N 1 0 329.400 2.570 20 5 EFBDRO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000263754284 473833876 /nfs/dbraw/zinc/83/38/76/473833876.db2.gz PVBFFASXMUIBBC-LBPRGKRZSA-N 1 0 331.397 2.644 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000288089496 473845046 /nfs/dbraw/zinc/84/50/46/473845046.db2.gz ZUPJNTCGRGDIEU-GFCCVEGCSA-N 1 0 345.403 2.633 20 5 EFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH+](C)CC1 ZINC000194118370 473845256 /nfs/dbraw/zinc/84/52/56/473845256.db2.gz OGUMZPVJKRTDBG-UHFFFAOYSA-N 1 0 333.413 2.976 20 5 EFBDRO CNC(=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263782548 473847487 /nfs/dbraw/zinc/84/74/87/473847487.db2.gz GBQXPNCTBYROFA-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000269632496 473849420 /nfs/dbraw/zinc/84/94/20/473849420.db2.gz FZWRZSHXYHIHPN-ROUUACIJSA-N 1 0 330.384 2.684 20 5 EFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000269632493 473850741 /nfs/dbraw/zinc/85/07/41/473850741.db2.gz FZWRZSHXYHIHPN-QZTJIDSGSA-N 1 0 330.384 2.684 20 5 EFBDRO Cc1c(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000269649434 473851510 /nfs/dbraw/zinc/85/15/10/473851510.db2.gz SYDXRBKPAWBLTR-UHFFFAOYSA-N 1 0 333.432 2.777 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000281838268 473853791 /nfs/dbraw/zinc/85/37/91/473853791.db2.gz YFVWYPLPKJGBCP-JSGCOSHPSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000269677433 473857086 /nfs/dbraw/zinc/85/70/86/473857086.db2.gz CWTKPCNIWYYLQM-ZDUSSCGKSA-N 1 0 332.404 2.536 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000274513095 473857406 /nfs/dbraw/zinc/85/74/06/473857406.db2.gz VDAGYYYHKNMPDI-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[NH+]1CCN(C[C@H](C)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269676597 473857831 /nfs/dbraw/zinc/85/78/31/473857831.db2.gz YYSGYHLYUWUXMP-GFCCVEGCSA-N 1 0 342.390 2.559 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000173519308 473864171 /nfs/dbraw/zinc/86/41/71/473864171.db2.gz KFFGHGKWIWTDDW-CQSZACIVSA-N 1 0 343.383 2.924 20 5 EFBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCC1CC1 ZINC000180382573 473865069 /nfs/dbraw/zinc/86/50/69/473865069.db2.gz WBBNYZOONBLZRX-UHFFFAOYSA-N 1 0 345.424 2.939 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000274532557 473865352 /nfs/dbraw/zinc/86/53/52/473865352.db2.gz UPGINMCMERVTPE-ZDUSSCGKSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000269701398 473867547 /nfs/dbraw/zinc/86/75/47/473867547.db2.gz LZOPXBRSVOWSHG-QGZVFWFLSA-N 1 0 344.415 2.582 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000281880950 473869954 /nfs/dbraw/zinc/86/99/54/473869954.db2.gz GFTWLGNJWDVLDS-DOMZBBRYSA-N 1 0 348.403 2.551 20 5 EFBDRO CCOc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000194288955 473874618 /nfs/dbraw/zinc/87/46/18/473874618.db2.gz JHQHHXBKARSDCU-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000288208585 473876115 /nfs/dbraw/zinc/87/61/15/473876115.db2.gz LKLYFIUVSHQXPC-ZFWWWQNUSA-N 1 0 329.404 2.712 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173557678 473876400 /nfs/dbraw/zinc/87/64/00/473876400.db2.gz LIINTOPFQOKGBE-CJNGLKHVSA-N 1 0 329.400 2.748 20 5 EFBDRO COc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281909083 473880613 /nfs/dbraw/zinc/88/06/13/473880613.db2.gz IUOCZICJZKLWOB-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000274583790 473883778 /nfs/dbraw/zinc/88/37/78/473883778.db2.gz OZDOZJAEOQWRJP-UHFFFAOYSA-N 1 0 337.395 2.564 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)o2)cc1 ZINC000246518397 473888608 /nfs/dbraw/zinc/88/86/08/473888608.db2.gz FQLOZEFACZILAK-ZFWWWQNUSA-N 1 0 344.371 2.646 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000246534794 473892580 /nfs/dbraw/zinc/89/25/80/473892580.db2.gz GEUIUSQJXSJESX-XHDPSFHLSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000269850505 473896693 /nfs/dbraw/zinc/89/66/93/473896693.db2.gz XLVSETKQPBSLBD-HNNXBMFYSA-N 1 0 335.448 2.946 20 5 EFBDRO CC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180534851 473899634 /nfs/dbraw/zinc/89/96/34/473899634.db2.gz WFUQSTXFMPNMAD-QGZVFWFLSA-N 1 0 327.384 2.977 20 5 EFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000274681744 473919545 /nfs/dbraw/zinc/91/95/45/473919545.db2.gz OAMKQTYDAAENCB-STQMWFEESA-N 1 0 342.852 2.659 20 5 EFBDRO CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000288365378 473921693 /nfs/dbraw/zinc/92/16/93/473921693.db2.gz JNVZCRVPVKGFBE-LBPRGKRZSA-N 1 0 337.395 2.564 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288369071 473922152 /nfs/dbraw/zinc/92/21/52/473922152.db2.gz LDFVIOJODLOJFQ-NSHDSACASA-N 1 0 335.433 2.768 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c(c1)COCO2 ZINC000269936447 473924977 /nfs/dbraw/zinc/92/49/77/473924977.db2.gz OCVBHCRSKCOFDI-OIISXLGYSA-N 1 0 346.383 2.509 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000269939039 473926615 /nfs/dbraw/zinc/92/66/15/473926615.db2.gz FXKFVVJOSPLUDW-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO CS[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274709098 473928846 /nfs/dbraw/zinc/92/88/46/473928846.db2.gz XDHQVNDKKZIZDN-IAGOWNOFSA-N 1 0 349.456 2.813 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000274713172 473930566 /nfs/dbraw/zinc/93/05/66/473930566.db2.gz YSKNJVXDXUQMTQ-HUUCEWRRSA-N 1 0 325.409 2.750 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288489761 473956802 /nfs/dbraw/zinc/95/68/02/473956802.db2.gz RLWVWKWAXUDZGZ-UONOGXRCSA-N 1 0 347.415 2.692 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194814539 473957530 /nfs/dbraw/zinc/95/75/30/473957530.db2.gz UUYDGJPJLUWPOY-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282146486 473960486 /nfs/dbraw/zinc/96/04/86/473960486.db2.gz SHIKMFFGTSXLSZ-BBRMVZONSA-N 1 0 347.415 2.861 20 5 EFBDRO CSc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000188043656 473961172 /nfs/dbraw/zinc/96/11/72/473961172.db2.gz OJCCEZINIHEZKN-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000274812996 473969285 /nfs/dbraw/zinc/96/92/85/473969285.db2.gz NBHKRQDCHCFAHP-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000288630458 474005298 /nfs/dbraw/zinc/00/52/98/474005298.db2.gz WNABQMXDVJACCS-LBPRGKRZSA-N 1 0 343.387 2.654 20 5 EFBDRO CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000288628920 474005356 /nfs/dbraw/zinc/00/53/56/474005356.db2.gz YJLXZQVACMKJJQ-LLVKDONJSA-N 1 0 333.413 2.976 20 5 EFBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111455 474008372 /nfs/dbraw/zinc/00/83/72/474008372.db2.gz OWIPUYTXHIDTDN-SJKOYZFVSA-N 1 0 325.368 2.659 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264525507 474023816 /nfs/dbraw/zinc/02/38/16/474023816.db2.gz XGEXHYSPWBNZPC-CQSZACIVSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000195186642 474024542 /nfs/dbraw/zinc/02/45/42/474024542.db2.gz IOQQNOXAPNALFI-UHFFFAOYSA-N 1 0 346.431 2.636 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246987558 474026825 /nfs/dbraw/zinc/02/68/25/474026825.db2.gz KAZWSSVPBOYHPZ-ZIAGYGMSSA-N 1 0 336.436 2.994 20 5 EFBDRO CC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270233557 474038137 /nfs/dbraw/zinc/03/81/37/474038137.db2.gz VMQVWSIFJXVSIJ-MRXNPFEDSA-N 1 0 331.416 2.966 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181506009 474042519 /nfs/dbraw/zinc/04/25/19/474042519.db2.gz SSKNVHNTCDGRBZ-NWDGAFQWSA-N 1 0 329.356 2.978 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181519830 474043082 /nfs/dbraw/zinc/04/30/82/474043082.db2.gz WSSKHJZUVXOBOJ-LLVKDONJSA-N 1 0 345.355 2.598 20 5 EFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288764093 474044193 /nfs/dbraw/zinc/04/41/93/474044193.db2.gz HSMTWGIVJCURAK-SFHVURJKSA-N 1 0 329.400 2.826 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1F ZINC000282381678 474045553 /nfs/dbraw/zinc/04/55/53/474045553.db2.gz GALPMIRPPQZCPT-MRXNPFEDSA-N 1 0 348.374 2.648 20 5 EFBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264583322 474048420 /nfs/dbraw/zinc/04/84/20/474048420.db2.gz KAWMFRGEAGXJFK-HNNXBMFYSA-N 1 0 345.399 2.665 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181570139 474048665 /nfs/dbraw/zinc/04/86/65/474048665.db2.gz SYEHBCVRBGKASX-RYUDHWBXSA-N 1 0 329.356 2.978 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000270295524 474061945 /nfs/dbraw/zinc/06/19/45/474061945.db2.gz PZOXBDMWHIXKRA-QGZVFWFLSA-N 1 0 334.347 2.740 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270295111 474062096 /nfs/dbraw/zinc/06/20/96/474062096.db2.gz XMRHMYHFXSMHBD-KRWDZBQOSA-N 1 0 345.443 2.961 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCCC1 ZINC000264635622 474069235 /nfs/dbraw/zinc/06/92/35/474069235.db2.gz CVLXFHLNCKNPLB-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282458253 474073281 /nfs/dbraw/zinc/07/32/81/474073281.db2.gz MLCMHKWHXGPRFW-HNNXBMFYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247148538 474075671 /nfs/dbraw/zinc/07/56/71/474075671.db2.gz ABJRHMVHGSZDGH-QMTHXVAHSA-N 1 0 325.796 2.660 20 5 EFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182043863 474087317 /nfs/dbraw/zinc/08/73/17/474087317.db2.gz MMJBCWIEZYNKSP-HOCLYGCPSA-N 1 0 345.399 2.510 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000282500254 474088653 /nfs/dbraw/zinc/08/86/53/474088653.db2.gz QSHWICVKSPQRIN-UHFFFAOYSA-N 1 0 326.393 2.513 20 5 EFBDRO CN(CCn1cc(Br)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000264698640 474094199 /nfs/dbraw/zinc/09/41/99/474094199.db2.gz JOTQBARWUUGCIA-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000270380836 474096474 /nfs/dbraw/zinc/09/64/74/474096474.db2.gz NLTDMNPWDVQGSZ-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CCC[C@@]1(CO)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288949918 474100494 /nfs/dbraw/zinc/10/04/94/474100494.db2.gz XKYSFXGLWXLXBH-KBXCAEBGSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000198152744 474105390 /nfs/dbraw/zinc/10/53/90/474105390.db2.gz UCQZDCMMGODECQ-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO COc1cc(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000188483078 474107758 /nfs/dbraw/zinc/10/77/58/474107758.db2.gz LHQDTCOHGOSBCG-UHFFFAOYSA-N 1 0 335.404 2.518 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccncc3Cl)C2)nc1 ZINC000174867435 474108096 /nfs/dbraw/zinc/10/80/96/474108096.db2.gz VPZPHRKDXBMPBH-LBPRGKRZSA-N 1 0 333.779 2.725 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000247289474 474110216 /nfs/dbraw/zinc/11/02/16/474110216.db2.gz ALSWWNIENNAWGA-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000247315995 474116537 /nfs/dbraw/zinc/11/65/37/474116537.db2.gz HTAOUVUXKCJMON-YVEFUNNKSA-N 1 0 344.415 2.878 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264762332 474118753 /nfs/dbraw/zinc/11/87/53/474118753.db2.gz UKHALEIBHUSTGP-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264762334 474119329 /nfs/dbraw/zinc/11/93/29/474119329.db2.gz UKHALEIBHUSTGP-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H](O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264766395 474120392 /nfs/dbraw/zinc/12/03/92/474120392.db2.gz ZNBJEPISMUSHLG-ZDUSSCGKSA-N 1 0 345.399 2.885 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000264773386 474122902 /nfs/dbraw/zinc/12/29/02/474122902.db2.gz QLQCTPMLXDUTBQ-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247343872 474125214 /nfs/dbraw/zinc/12/52/14/474125214.db2.gz XRUKFWUCKWIURN-HZPDHXFCSA-N 1 0 338.429 2.570 20 5 EFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCS(=O)(=O)CC1 ZINC000275299711 474135655 /nfs/dbraw/zinc/13/56/55/474135655.db2.gz HSCQINBWJVBARU-JTQLQIEISA-N 1 0 346.836 2.551 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000247416568 474141513 /nfs/dbraw/zinc/14/15/13/474141513.db2.gz DDIDHEWNGBSPHF-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000247416553 474141980 /nfs/dbraw/zinc/14/19/80/474141980.db2.gz DDIDHEWNGBSPHF-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182292083 474143644 /nfs/dbraw/zinc/14/36/44/474143644.db2.gz IOHKXDGPZSCPAL-JKSUJKDBSA-N 1 0 345.399 2.813 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247474369 474156967 /nfs/dbraw/zinc/15/69/67/474156967.db2.gz RZZCWYXMSBROOI-IPYPFGDCSA-N 1 0 349.456 2.771 20 5 EFBDRO COC(=O)[C@H]1CC12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000264982874 474163458 /nfs/dbraw/zinc/16/34/58/474163458.db2.gz AQUPPSHGDHGBPH-MRXNPFEDSA-N 1 0 348.399 2.639 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000182406006 474168815 /nfs/dbraw/zinc/16/88/15/474168815.db2.gz NYALQTLXRURIMD-QRTARXTBSA-N 1 0 346.431 2.782 20 5 EFBDRO C[N@H+](CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289190882 474178182 /nfs/dbraw/zinc/17/81/82/474178182.db2.gz AUCIZLWHLMDAIL-UHFFFAOYSA-N 1 0 337.763 2.815 20 5 EFBDRO C[C@H](NCc1ncc(C2OCCO2)s1)c1cccc([N+](=O)[O-])c1 ZINC000289209806 474185275 /nfs/dbraw/zinc/18/52/75/474185275.db2.gz ILMDIXNLOOQLLH-JTQLQIEISA-N 1 0 335.385 2.948 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC000182501985 474191491 /nfs/dbraw/zinc/19/14/91/474191491.db2.gz SOVYYXCVYHLGIG-QBIMZIAESA-N 1 0 343.427 2.994 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000223863131 474191777 /nfs/dbraw/zinc/19/17/77/474191777.db2.gz GUZWNNRFQLMBRR-NEPJUHHUSA-N 1 0 341.209 2.791 20 5 EFBDRO COc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000275478184 474200929 /nfs/dbraw/zinc/20/09/29/474200929.db2.gz BOOZABSEWHRZEA-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247703274 474202140 /nfs/dbraw/zinc/20/21/40/474202140.db2.gz YILLCPAKJSJRLD-MSOLQXFVSA-N 1 0 344.415 2.688 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270668741 474212870 /nfs/dbraw/zinc/21/28/70/474212870.db2.gz QRUSMSQFUJOMGH-TYNCELHUSA-N 1 0 345.403 2.588 20 5 EFBDRO Cc1cccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000275503875 474213013 /nfs/dbraw/zinc/21/30/13/474213013.db2.gz STSQUIYYVPGVFI-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289308637 474219901 /nfs/dbraw/zinc/21/99/01/474219901.db2.gz AHMMTFICBJJATO-CMPLNLGQSA-N 1 0 338.795 2.997 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000175465277 474226637 /nfs/dbraw/zinc/22/66/37/474226637.db2.gz OIBRRNPWMHDUOS-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188896932 474227989 /nfs/dbraw/zinc/22/79/89/474227989.db2.gz SBHKPFWBYHMYBU-GFCCVEGCSA-N 1 0 331.372 2.811 20 5 EFBDRO CC[N@@H+]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000265502511 474236795 /nfs/dbraw/zinc/23/67/95/474236795.db2.gz PRXZZSARRRVWLW-CYBMUJFWSA-N 1 0 345.403 2.733 20 5 EFBDRO COc1cc(C[NH2+]CCCc2nccs2)c([N+](=O)[O-])cc1OC ZINC000265503575 474237060 /nfs/dbraw/zinc/23/70/60/474237060.db2.gz DOMQNMGNPHVGTI-UHFFFAOYSA-N 1 0 337.401 2.791 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275597504 474246702 /nfs/dbraw/zinc/24/67/02/474246702.db2.gz GMZUXPQEQOTYFK-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000228016415 474248060 /nfs/dbraw/zinc/24/80/60/474248060.db2.gz UVBDHYDYMXNADP-WPRPVWTQSA-N 1 0 343.225 2.955 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000282947029 474250075 /nfs/dbraw/zinc/25/00/75/474250075.db2.gz YWJLHNIZTJAAEL-BBRMVZONSA-N 1 0 347.415 2.550 20 5 EFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000235666492 474270210 /nfs/dbraw/zinc/27/02/10/474270210.db2.gz NAZHWAJCKVQVQG-ONGXEEELSA-N 1 0 328.210 2.839 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000265624418 474271687 /nfs/dbraw/zinc/27/16/87/474271687.db2.gz YMESTFKSJKOAKB-ZBFHGGJFSA-N 1 0 343.431 2.818 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175662040 474276900 /nfs/dbraw/zinc/27/69/00/474276900.db2.gz NBWIDGMURZOELP-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO C[N@H+]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC000289453398 474278633 /nfs/dbraw/zinc/27/86/33/474278633.db2.gz UZUBMWRTRDBJNO-PHIMTYICSA-N 1 0 330.215 2.895 20 5 EFBDRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275684339 474279443 /nfs/dbraw/zinc/27/94/43/474279443.db2.gz ZTFGRIGRTCLZNI-UHFFFAOYSA-N 1 0 343.431 2.569 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265656583 474285032 /nfs/dbraw/zinc/28/50/32/474285032.db2.gz NKYWVDUQVLFDIW-AWEZNQCLSA-N 1 0 335.379 2.824 20 5 EFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000189084897 474286755 /nfs/dbraw/zinc/28/67/55/474286755.db2.gz VNSIRAUINFEKKH-ZDUSSCGKSA-N 1 0 331.416 2.932 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000189093751 474288609 /nfs/dbraw/zinc/28/86/09/474288609.db2.gz YBSPBWXYBNWFOR-UHFFFAOYSA-N 1 0 349.431 2.905 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747772 474304264 /nfs/dbraw/zinc/30/42/64/474304264.db2.gz RJWPCTWPHRVSOO-GZBFAFLISA-N 1 0 329.404 2.785 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]21 ZINC000248437617 474322198 /nfs/dbraw/zinc/32/21/98/474322198.db2.gz SOVYYXCVYHLGIG-MZMPZRCHSA-N 1 0 343.427 2.994 20 5 EFBDRO Cc1nccn1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270936311 474329072 /nfs/dbraw/zinc/32/90/72/474329072.db2.gz XSXZCYKVTFRPPV-UHFFFAOYSA-N 1 0 330.388 2.643 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248456733 474330044 /nfs/dbraw/zinc/33/00/44/474330044.db2.gz LVUHMMMVXKALEJ-FXUDXRNXSA-N 1 0 334.416 2.845 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175902940 474336838 /nfs/dbraw/zinc/33/68/38/474336838.db2.gz PKQMGBHCCFGEDU-CFVMTHIKSA-N 1 0 334.420 2.828 20 5 EFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183208278 474350928 /nfs/dbraw/zinc/35/09/28/474350928.db2.gz PXCFEKHNBQQSSW-OAHLLOKOSA-N 1 0 333.432 2.668 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000175966616 474351416 /nfs/dbraw/zinc/35/14/16/474351416.db2.gz VHFAHEQWJYTILP-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000283256900 474352457 /nfs/dbraw/zinc/35/24/57/474352457.db2.gz VTRITXMIXYPHSH-CYBMUJFWSA-N 1 0 345.378 2.651 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000237185747 474353618 /nfs/dbraw/zinc/35/36/18/474353618.db2.gz TXCLTUIFCJNCGF-CABCVRRESA-N 1 0 349.387 2.618 20 5 EFBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183254371 474359474 /nfs/dbraw/zinc/35/94/74/474359474.db2.gz PIQLIXDFCUJLQH-FUHWJXTLSA-N 1 0 346.431 2.838 20 5 EFBDRO Cc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000275916447 474360808 /nfs/dbraw/zinc/36/08/08/474360808.db2.gz TXAIVAUQPPBOOD-UHFFFAOYSA-N 1 0 342.399 2.842 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248573884 474364162 /nfs/dbraw/zinc/36/41/62/474364162.db2.gz SIDDFCREZAEGKD-DVOMOZLQSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248592257 474369623 /nfs/dbraw/zinc/36/96/23/474369623.db2.gz ROQDUCLXHVPRDK-OLZOCXBDSA-N 1 0 337.395 2.638 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000237270720 474371274 /nfs/dbraw/zinc/37/12/74/474371274.db2.gz GQFQRGMGAAMXJZ-INIZCTEOSA-N 1 0 346.383 2.744 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248598508 474372235 /nfs/dbraw/zinc/37/22/35/474372235.db2.gz UISGQTQOFJJUAA-WBMJQRKESA-N 1 0 337.395 2.636 20 5 EFBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271025873 474373756 /nfs/dbraw/zinc/37/37/56/474373756.db2.gz BDWHRVVFYUEJTQ-RYUDHWBXSA-N 1 0 325.434 2.580 20 5 EFBDRO O=C(CN1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676716 474374326 /nfs/dbraw/zinc/37/43/26/474374326.db2.gz VBMHHFWHMBGCCB-NVXWUHKLSA-N 1 0 345.399 2.567 20 5 EFBDRO O=C(CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676722 474374401 /nfs/dbraw/zinc/37/44/01/474374401.db2.gz VBMHHFWHMBGCCB-RDJZCZTQSA-N 1 0 345.399 2.567 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000271040185 474380769 /nfs/dbraw/zinc/38/07/69/474380769.db2.gz QVVIJZIHGLXJFU-AWEZNQCLSA-N 1 0 348.447 2.586 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289705097 474385146 /nfs/dbraw/zinc/38/51/46/474385146.db2.gz HJTXKGUSDPAPRL-ZBFHGGJFSA-N 1 0 332.404 2.906 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248638854 474388585 /nfs/dbraw/zinc/38/85/85/474388585.db2.gz WLHPJGWYTOQSNK-IAQYHMDHSA-N 1 0 326.368 2.725 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189424589 474391967 /nfs/dbraw/zinc/39/19/67/474391967.db2.gz WIQHBWZATFCPBA-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000283401988 474393762 /nfs/dbraw/zinc/39/37/62/474393762.db2.gz HFVUYVBTFVCHKE-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183575890 474394744 /nfs/dbraw/zinc/39/47/44/474394744.db2.gz YXVKUBPDDSGLAS-AWEZNQCLSA-N 1 0 347.350 2.553 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(F)(F)F)cc1 ZINC000176193370 474404819 /nfs/dbraw/zinc/40/48/19/474404819.db2.gz HJBHTNCMLURKMP-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC(F)F)cc1 ZINC000176192489 474405174 /nfs/dbraw/zinc/40/51/74/474405174.db2.gz ZHDJAIZUCDYULV-UHFFFAOYSA-N 1 0 326.303 2.525 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000248694761 474406377 /nfs/dbraw/zinc/40/63/77/474406377.db2.gz JJJIGLZSMVOOQR-RTBURBONSA-N 1 0 340.379 2.760 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000283452972 474407039 /nfs/dbraw/zinc/40/70/39/474407039.db2.gz LAGYFCOIHODNNH-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000189465537 474407598 /nfs/dbraw/zinc/40/75/98/474407598.db2.gz LXPIEVULNBNQNU-UHFFFAOYSA-N 1 0 331.338 2.959 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000176207206 474408748 /nfs/dbraw/zinc/40/87/48/474408748.db2.gz DLALLZJILXWRIY-CYBMUJFWSA-N 1 0 341.371 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOCC(F)F)CC2)cc1 ZINC000189477044 474411064 /nfs/dbraw/zinc/41/10/64/474411064.db2.gz FEYXBGDUTYXQAO-UHFFFAOYSA-N 1 0 330.331 2.720 20 5 EFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289759867 474412505 /nfs/dbraw/zinc/41/25/05/474412505.db2.gz KOUFFTBOPJRWQX-ZDUSSCGKSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000237499276 474418264 /nfs/dbraw/zinc/41/82/64/474418264.db2.gz RONSAWACUXLRDT-XJKSGUPXSA-N 1 0 327.384 2.823 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)n1 ZINC000176239122 474418730 /nfs/dbraw/zinc/41/87/30/474418730.db2.gz AGXYUKCUXWAJGZ-UHFFFAOYSA-N 1 0 344.415 2.720 20 5 EFBDRO Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000289774554 474420454 /nfs/dbraw/zinc/42/04/54/474420454.db2.gz RJTPLZWDIAEGJU-OLZOCXBDSA-N 1 0 332.322 2.896 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237516166 474420908 /nfs/dbraw/zinc/42/09/08/474420908.db2.gz OKPZSWLXAWGPDF-XUJVJEKNSA-N 1 0 337.445 2.661 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237529814 474423470 /nfs/dbraw/zinc/42/34/70/474423470.db2.gz SULKAQYQVAIJGM-JQWIXIFHSA-N 1 0 346.412 2.670 20 5 EFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000237572893 474431257 /nfs/dbraw/zinc/43/12/57/474431257.db2.gz SBAZXBUPAUTNPC-GUYCJALGSA-N 1 0 327.384 2.590 20 5 EFBDRO C[C@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237589989 474434101 /nfs/dbraw/zinc/43/41/01/474434101.db2.gz JLIGYGDSNLZAAQ-CYBMUJFWSA-N 1 0 333.432 2.972 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000283578856 474441142 /nfs/dbraw/zinc/44/11/42/474441142.db2.gz WHUAWSSTYZMCOG-KBPBESRZSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271211200 474443039 /nfs/dbraw/zinc/44/30/39/474443039.db2.gz YLUVPCUKQVRRNN-GFCCVEGCSA-N 1 0 342.237 2.741 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271211920 474443840 /nfs/dbraw/zinc/44/38/40/474443840.db2.gz VPDAHSWQWNXFOK-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000276193725 474447896 /nfs/dbraw/zinc/44/78/96/474447896.db2.gz JAYAAANIXQXMAO-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237668196 474453584 /nfs/dbraw/zinc/45/35/84/474453584.db2.gz IOHFXCHRMXCKTD-QGZVFWFLSA-N 1 0 342.399 2.521 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271233856 474454747 /nfs/dbraw/zinc/45/47/47/474454747.db2.gz CTWKFLUGALDYDI-RHSMWYFYSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000248851825 474457518 /nfs/dbraw/zinc/45/75/18/474457518.db2.gz OVLHJMLXIFAOOS-SWLSCSKDSA-N 1 0 345.424 2.907 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000248851819 474457758 /nfs/dbraw/zinc/45/77/58/474457758.db2.gz OVLHJMLXIFAOOS-IUODEOHRSA-N 1 0 345.424 2.907 20 5 EFBDRO CC(=O)c1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000283657249 474460092 /nfs/dbraw/zinc/46/00/92/474460092.db2.gz VUIUONHCGAYJMG-CHWSQXEVSA-N 1 0 335.404 2.709 20 5 EFBDRO CCOc1cccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000184041299 474463684 /nfs/dbraw/zinc/46/36/84/474463684.db2.gz OCVYQHVMLXWHEL-AWEZNQCLSA-N 1 0 337.420 2.762 20 5 EFBDRO [NH3+]CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000237793730 474476780 /nfs/dbraw/zinc/47/67/80/474476780.db2.gz QNMIAMAWOOZKTG-UHFFFAOYSA-N 1 0 346.412 2.720 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000289908194 474480302 /nfs/dbraw/zinc/48/03/02/474480302.db2.gz UVYCDVWHQIQWQM-HNNXBMFYSA-N 1 0 330.388 2.635 20 5 EFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276286761 474481912 /nfs/dbraw/zinc/48/19/12/474481912.db2.gz SOKRHXZPHUGCPC-LBPRGKRZSA-N 1 0 345.321 2.857 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000283737144 474482466 /nfs/dbraw/zinc/48/24/66/474482466.db2.gz IPRYTHIIPZZRFQ-MNOVXSKESA-N 1 0 331.376 2.528 20 5 EFBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000283738241 474482894 /nfs/dbraw/zinc/48/28/94/474482894.db2.gz ITBZGCJDUCWARJ-ZIAGYGMSSA-N 1 0 348.447 2.503 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+](C)C ZINC000271308063 474486408 /nfs/dbraw/zinc/48/64/08/474486408.db2.gz IAVFRLBCPZUFOA-WCQYABFASA-N 1 0 347.387 2.678 20 5 EFBDRO [NH3+]C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237854882 474488680 /nfs/dbraw/zinc/48/86/80/474488680.db2.gz LBHIGVLQBHIYRS-KRWDZBQOSA-N 1 0 348.447 2.811 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000276305342 474489040 /nfs/dbraw/zinc/48/90/40/474489040.db2.gz AXDXAVRQEFCJIS-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](CO)O1 ZINC000248954319 474490823 /nfs/dbraw/zinc/49/08/23/474490823.db2.gz FPINQBLZYMXEJL-OLZOCXBDSA-N 1 0 348.424 2.905 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266824385 474493747 /nfs/dbraw/zinc/49/37/47/474493747.db2.gz WNPRSFJAMAMPCD-HNNXBMFYSA-N 1 0 342.399 2.660 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000237905686 474500372 /nfs/dbraw/zinc/50/03/72/474500372.db2.gz YZZASXPUSQHXCN-ZDUSSCGKSA-N 1 0 325.796 2.886 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000608977484 480107855 /nfs/dbraw/zinc/10/78/55/480107855.db2.gz NPADKLMSOZFHTP-UHFFFAOYSA-N 1 0 346.456 2.802 20 5 EFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997798 474502909 /nfs/dbraw/zinc/50/29/09/474502909.db2.gz PKWKVCIVIAJYOG-HKUYNNGSSA-N 1 0 347.459 2.919 20 5 EFBDRO [NH3+][C@@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237921583 474503880 /nfs/dbraw/zinc/50/38/80/474503880.db2.gz XWKZXPNJTGTLFL-INIZCTEOSA-N 1 0 325.368 2.964 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000276352382 474507739 /nfs/dbraw/zinc/50/77/39/474507739.db2.gz HTXXDMZIFWRMCS-UHFFFAOYSA-N 1 0 333.413 2.690 20 5 EFBDRO CCc1nn(C)c(NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276357478 474509037 /nfs/dbraw/zinc/50/90/37/474509037.db2.gz VHDSDTCGXIEFSE-UHFFFAOYSA-N 1 0 331.420 2.607 20 5 EFBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000609011273 480108534 /nfs/dbraw/zinc/10/85/34/480108534.db2.gz MNFTWVLAPPHGFX-ZIAGYGMSSA-N 1 0 349.431 2.525 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCOCC2)s1 ZINC000237954809 474511858 /nfs/dbraw/zinc/51/18/58/474511858.db2.gz GZKWWYNAPJNPAD-UHFFFAOYSA-N 1 0 347.440 2.745 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000266875446 474512339 /nfs/dbraw/zinc/51/23/39/474512339.db2.gz OEFVGHOEROQXEM-ZDUSSCGKSA-N 1 0 346.383 2.825 20 5 EFBDRO Cc1c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000176686216 474516799 /nfs/dbraw/zinc/51/67/99/474516799.db2.gz DCBPVZOPOYJKAW-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO COCCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289992616 474518643 /nfs/dbraw/zinc/51/86/43/474518643.db2.gz CHYGHMZRCHCROX-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176696863 474519592 /nfs/dbraw/zinc/51/95/92/474519592.db2.gz SLCZIBLQGRHNIN-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000276383640 474520579 /nfs/dbraw/zinc/52/05/79/474520579.db2.gz GXJOEEGBJVGYEF-CJNGLKHVSA-N 1 0 332.404 2.770 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000283898121 474522490 /nfs/dbraw/zinc/52/24/90/474522490.db2.gz IYTXSZXQTONHHC-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000176749419 474524432 /nfs/dbraw/zinc/52/44/32/474524432.db2.gz AMUIEFMMCSRLDY-BMFZPTHFSA-N 1 0 346.431 2.842 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@]3(O)CCSC3)o2)c1 ZINC000176752919 474525013 /nfs/dbraw/zinc/52/50/13/474525013.db2.gz CDFCJTXRAXPTDW-MRXNPFEDSA-N 1 0 334.397 2.812 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189978257 474526077 /nfs/dbraw/zinc/52/60/77/474526077.db2.gz VFKKEWJXRNSIBO-SUMWQHHRSA-N 1 0 344.415 2.636 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992814 474530128 /nfs/dbraw/zinc/53/01/28/474530128.db2.gz YCCDWYBBRQHILP-GDBMZVCRSA-N 1 0 342.823 2.904 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000249131772 474534661 /nfs/dbraw/zinc/53/46/61/474534661.db2.gz LTJCLVVHMIKODL-JSGCOSHPSA-N 1 0 349.456 2.873 20 5 EFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000184524573 474537267 /nfs/dbraw/zinc/53/72/67/474537267.db2.gz AIHLOMMHZFRPIU-UHFFFAOYSA-N 1 0 346.431 2.561 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249141068 474537863 /nfs/dbraw/zinc/53/78/63/474537863.db2.gz QJGQQRHXSMKBNW-TZMCWYRMSA-N 1 0 349.456 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCOCC3)s2)cc1 ZINC000238143636 474538867 /nfs/dbraw/zinc/53/88/67/474538867.db2.gz OUFWQCVNXQAHSH-UHFFFAOYSA-N 1 0 348.424 2.954 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[NH2+]CC1 ZINC000238170247 474539296 /nfs/dbraw/zinc/53/92/96/474539296.db2.gz PNRFWILULXGBLF-UHFFFAOYSA-N 1 0 341.367 2.823 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271432788 474544611 /nfs/dbraw/zinc/54/46/11/474544611.db2.gz BHINKUBQSLWRKM-IAQYHMDHSA-N 1 0 343.387 2.702 20 5 EFBDRO C[C@H]1C(=O)N(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190091274 474545628 /nfs/dbraw/zinc/54/56/28/474545628.db2.gz HXLVUSHHAUPWCV-LBPRGKRZSA-N 1 0 329.356 2.517 20 5 EFBDRO C[C@@H]1C(=O)N(C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088875 474545707 /nfs/dbraw/zinc/54/57/07/474545707.db2.gz DJMHIFDEZDYJFM-GFCCVEGCSA-N 1 0 329.356 2.517 20 5 EFBDRO C[C@@H](CO)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000276471412 474555841 /nfs/dbraw/zinc/55/58/41/474555841.db2.gz QLHXEFLCRWSUFC-LBPRGKRZSA-N 1 0 346.387 2.770 20 5 EFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249330239 474558462 /nfs/dbraw/zinc/55/84/62/474558462.db2.gz OTZKATLGKXCUDX-CRAIPNDOSA-N 1 0 345.399 2.510 20 5 EFBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267012586 474565387 /nfs/dbraw/zinc/56/53/87/474565387.db2.gz HCBMBNVEAXLOLD-UHFFFAOYSA-N 1 0 342.827 2.945 20 5 EFBDRO CC[C@@H](C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000249408193 474568400 /nfs/dbraw/zinc/56/84/00/474568400.db2.gz DQHFOQAQVCWNKQ-MAUKXSAKSA-N 1 0 346.431 2.668 20 5 EFBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000271506500 474573934 /nfs/dbraw/zinc/57/39/34/474573934.db2.gz NYOJOLONMJMHMJ-BMFZPTHFSA-N 1 0 340.445 2.991 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245417265 474582215 /nfs/dbraw/zinc/58/22/15/474582215.db2.gz FXAAHAIXQBIVKZ-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249527284 474587636 /nfs/dbraw/zinc/58/76/36/474587636.db2.gz VBRNYCJDXQTIHH-SGMGOOAPSA-N 1 0 335.404 2.956 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000184721706 474594008 /nfs/dbraw/zinc/59/40/08/474594008.db2.gz SKMFJRXPDBHNGO-MRXNPFEDSA-N 1 0 333.432 2.622 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000184726561 474595689 /nfs/dbraw/zinc/59/56/89/474595689.db2.gz YNUFVKBYAWQNNL-SJLPKXTDSA-N 1 0 345.443 2.860 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000284208977 474596109 /nfs/dbraw/zinc/59/61/09/474596109.db2.gz ZDWNOVCETAGCSR-LLVKDONJSA-N 1 0 326.372 2.894 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000267166369 474606818 /nfs/dbraw/zinc/60/68/18/474606818.db2.gz HBGIYZBPPRHXIY-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000609132776 480115354 /nfs/dbraw/zinc/11/53/54/480115354.db2.gz RUBZEOWHMCKUCG-INIZCTEOSA-N 1 0 326.400 2.966 20 5 EFBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000609132779 480115501 /nfs/dbraw/zinc/11/55/01/480115501.db2.gz RUBZEOWHMCKUCG-MRXNPFEDSA-N 1 0 326.400 2.966 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000249756815 474611951 /nfs/dbraw/zinc/61/19/51/474611951.db2.gz DOGNFRHJNUSRNZ-GJZGRUSLSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000249760305 474613298 /nfs/dbraw/zinc/61/32/98/474613298.db2.gz XFZANVFTLJAGIJ-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000291547206 474616141 /nfs/dbraw/zinc/61/61/41/474616141.db2.gz AJVWOKBNRHCUST-ZDUSSCGKSA-N 1 0 346.431 2.613 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000267206805 474618359 /nfs/dbraw/zinc/61/83/59/474618359.db2.gz PSXWISNJSUHWRX-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000291559677 474619073 /nfs/dbraw/zinc/61/90/73/474619073.db2.gz NSZHWUBBJIXMJA-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO C[NH+](C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278367582 474624055 /nfs/dbraw/zinc/62/40/55/474624055.db2.gz DGXLWSDBQYAFLP-UHFFFAOYSA-N 1 0 328.241 2.617 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1F ZINC000284365371 474628434 /nfs/dbraw/zinc/62/84/34/474628434.db2.gz ZMAVYCBHSGJRSE-SWLSCSKDSA-N 1 0 335.379 2.599 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267266676 474632606 /nfs/dbraw/zinc/63/26/06/474632606.db2.gz LMXKZYLSARLPQY-CABCVRRESA-N 1 0 346.431 2.772 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000267279435 474635941 /nfs/dbraw/zinc/63/59/41/474635941.db2.gz UZAZAOVUNJUSTN-UHFFFAOYSA-N 1 0 341.209 2.791 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267286551 474638463 /nfs/dbraw/zinc/63/84/63/474638463.db2.gz UJXVYAALCMVKBF-UHFFFAOYSA-N 1 0 342.399 2.968 20 5 EFBDRO C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272957023 474650305 /nfs/dbraw/zinc/65/03/05/474650305.db2.gz NDGXUKOWYGBOPG-STQMWFEESA-N 1 0 349.456 2.842 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278470396 474653542 /nfs/dbraw/zinc/65/35/42/474653542.db2.gz UKAPKIIIDHSZDW-UHFFFAOYSA-N 1 0 332.326 2.975 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272970935 474653938 /nfs/dbraw/zinc/65/39/38/474653938.db2.gz KVEBPIRXOZTQAL-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000291737019 474661794 /nfs/dbraw/zinc/66/17/94/474661794.db2.gz YJCCPHCPZRFBBS-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278500617 474663061 /nfs/dbraw/zinc/66/30/61/474663061.db2.gz NVACXCAZWVHJAL-ZDUSSCGKSA-N 1 0 349.822 2.740 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000291747352 474666551 /nfs/dbraw/zinc/66/65/51/474666551.db2.gz NOPSUOMKCQDEDH-CQSZACIVSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273005047 474666548 /nfs/dbraw/zinc/66/65/48/474666548.db2.gz ASQMDDIRNTVUTR-MSOLQXFVSA-N 1 0 347.415 2.779 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2cccnc2[N+](=O)[O-])cc1 ZINC000609150078 480119569 /nfs/dbraw/zinc/11/95/69/480119569.db2.gz IVUZICXXCCODQC-UHFFFAOYSA-N 1 0 330.388 2.585 20 5 EFBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000273050459 474690049 /nfs/dbraw/zinc/69/00/49/474690049.db2.gz QUFFNRKOGQWVIR-CYBMUJFWSA-N 1 0 341.367 2.726 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000278542526 474690845 /nfs/dbraw/zinc/69/08/45/474690845.db2.gz XMSMOXDKJCNWRP-IEXSPKMKSA-N 1 0 341.415 2.600 20 5 EFBDRO Cc1c([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114240 474695049 /nfs/dbraw/zinc/69/50/49/474695049.db2.gz HFZVWLOFUNWKGF-CVEARBPZSA-N 1 0 335.448 2.647 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCCCS2)c([N+](=O)[O-])cc1OC ZINC000344370840 474695343 /nfs/dbraw/zinc/69/53/43/474695343.db2.gz YWIOZTKUYHLQBR-GFCCVEGCSA-N 1 0 326.418 2.987 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000340830556 474698249 /nfs/dbraw/zinc/69/82/49/474698249.db2.gz ZKSNUBGOHUIWSK-JDSLSITLSA-N 1 0 335.404 2.715 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc1 ZINC000273070892 474701860 /nfs/dbraw/zinc/70/18/60/474701860.db2.gz FNLIZJKSVZHOSS-KRWDZBQOSA-N 1 0 342.399 2.559 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273076508 474705076 /nfs/dbraw/zinc/70/50/76/474705076.db2.gz PQQDEEGWQBKNTM-MSOLQXFVSA-N 1 0 347.415 2.779 20 5 EFBDRO Cc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152702 474705168 /nfs/dbraw/zinc/70/51/68/474705168.db2.gz UQKBHRYPVNTXMA-RDJZCZTQSA-N 1 0 335.448 2.647 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273084366 474707042 /nfs/dbraw/zinc/70/70/42/474707042.db2.gz RKIPYXLLVNKDEK-ZWKOTPCHSA-N 1 0 347.415 2.779 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273084363 474707863 /nfs/dbraw/zinc/70/78/63/474707863.db2.gz RKIPYXLLVNKDEK-ROUUACIJSA-N 1 0 347.415 2.779 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1c(F)cccc1F ZINC000273087983 474708473 /nfs/dbraw/zinc/70/84/73/474708473.db2.gz IYKAYGKLUGANLZ-CQSZACIVSA-N 1 0 338.310 2.705 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000253282449 474719732 /nfs/dbraw/zinc/71/97/32/474719732.db2.gz ZLCYDHMTHXIKDR-OLZOCXBDSA-N 1 0 349.431 2.762 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000338912897 474724827 /nfs/dbraw/zinc/72/48/27/474724827.db2.gz NYDSYITZBOJKBT-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000305301758 474730060 /nfs/dbraw/zinc/73/00/60/474730060.db2.gz JSFAMNNZLGSZIA-HNNXBMFYSA-N 1 0 334.347 2.606 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000267976839 474733237 /nfs/dbraw/zinc/73/32/37/474733237.db2.gz NRXQGBHDXNABHZ-GXTWGEPZSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000267976843 474733725 /nfs/dbraw/zinc/73/37/25/474733725.db2.gz NRXQGBHDXNABHZ-OCCSQVGLSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284739912 474746705 /nfs/dbraw/zinc/74/67/05/474746705.db2.gz KVUPDLNZUORIBA-IAGOWNOFSA-N 1 0 347.415 2.875 20 5 EFBDRO CCSCC[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273166812 474753843 /nfs/dbraw/zinc/75/38/43/474753843.db2.gz OGZXFUWOIRLGLE-KBPBESRZSA-N 1 0 342.461 2.798 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)cc1C(F)(F)F ZINC000253431873 474756424 /nfs/dbraw/zinc/75/64/24/474756424.db2.gz YASIPMVOASGDCI-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000305753028 474767225 /nfs/dbraw/zinc/76/72/25/474767225.db2.gz UCSVPGBWABWFTQ-HNNXBMFYSA-N 1 0 331.372 2.985 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C12CCC[NH+]1CCC2 ZINC000278679572 474771926 /nfs/dbraw/zinc/77/19/26/474771926.db2.gz QHWSKSYZJDXEBD-UHFFFAOYSA-N 1 0 337.807 2.835 20 5 EFBDRO CCOc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033113 474774813 /nfs/dbraw/zinc/77/48/13/474774813.db2.gz RRBUQCVPZRMTNL-SFHVURJKSA-N 1 0 333.432 2.911 20 5 EFBDRO CC[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000268076042 474785166 /nfs/dbraw/zinc/78/51/66/474785166.db2.gz BSZFLDYULBXCHT-UHFFFAOYSA-N 1 0 340.811 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000273233579 474792394 /nfs/dbraw/zinc/79/23/94/474792394.db2.gz SDTHVFPGXVBFEE-INIZCTEOSA-N 1 0 345.374 2.913 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000284837183 474793642 /nfs/dbraw/zinc/79/36/42/474793642.db2.gz QSQOUJIFSOHLGU-HOTGVXAUSA-N 1 0 334.372 2.605 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255063315 474797048 /nfs/dbraw/zinc/79/70/48/474797048.db2.gz YEMRJOIXMHMQGA-YFHOEESVSA-N 1 0 343.383 2.791 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCCCC1 ZINC000344834965 474798823 /nfs/dbraw/zinc/79/88/23/474798823.db2.gz QLVDIOBHHHMQHN-NTCAYCPXSA-N 1 0 331.416 2.990 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268107542 474802122 /nfs/dbraw/zinc/80/21/22/474802122.db2.gz DGTMKLFQVVQOTA-OAHLLOKOSA-N 1 0 343.358 2.738 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000255128609 474809080 /nfs/dbraw/zinc/80/90/80/474809080.db2.gz UPBAGJSSAUFXJH-SREVYHEPSA-N 1 0 343.427 2.942 20 5 EFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000293098392 474810677 /nfs/dbraw/zinc/81/06/77/474810677.db2.gz QCBSAFOSKPOSOW-KRWDZBQOSA-N 1 0 333.388 2.967 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000268123519 474810796 /nfs/dbraw/zinc/81/07/96/474810796.db2.gz BRIPJWJYVHOXRM-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255165915 474815056 /nfs/dbraw/zinc/81/50/56/474815056.db2.gz UKWWFAPTPQJQGD-FLIBITNWSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000293104781 474815199 /nfs/dbraw/zinc/81/51/99/474815199.db2.gz QMTMEGGIHZTVMR-GOSISDBHSA-N 1 0 349.431 2.654 20 5 EFBDRO COc1ccc(NC(=O)CN(C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292041277 474815970 /nfs/dbraw/zinc/81/59/70/474815970.db2.gz ACUUCSNZDVVFOD-UHFFFAOYSA-N 1 0 333.344 2.575 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255226229 474822352 /nfs/dbraw/zinc/82/23/52/474822352.db2.gz VCWICIADENYOSC-ZBTGYSDGSA-N 1 0 331.416 2.941 20 5 EFBDRO C[C@]1(CNc2ncc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000310330795 474827129 /nfs/dbraw/zinc/82/71/29/474827129.db2.gz ADZJBRQEICAHCA-QGZVFWFLSA-N 1 0 327.388 2.709 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000337251140 474828089 /nfs/dbraw/zinc/82/80/89/474828089.db2.gz KIYGCGIBHWRFDV-XNRPHZJLSA-N 1 0 340.807 2.610 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000337253530 474828671 /nfs/dbraw/zinc/82/86/71/474828671.db2.gz LUCGQWIELMLTNG-UHFFFAOYSA-N 1 0 335.385 2.849 20 5 EFBDRO COCCn1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000337258788 474835038 /nfs/dbraw/zinc/83/50/38/474835038.db2.gz ORQAKDPPILUPBY-RIYZIHGNSA-N 1 0 330.388 2.631 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C1CC1)[NH+]1CCCC1 ZINC000345037188 474836225 /nfs/dbraw/zinc/83/62/25/474836225.db2.gz PSRODTUZPMJLSS-HNNXBMFYSA-N 1 0 337.807 2.739 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293153077 474841996 /nfs/dbraw/zinc/84/19/96/474841996.db2.gz BYKYGPCIKGKSDR-KBXCAEBGSA-N 1 0 346.431 2.701 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000278818233 474851127 /nfs/dbraw/zinc/85/11/27/474851127.db2.gz UKMVFJUOTZLSDQ-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO COC(=O)C1=C(C)O[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292108395 474851642 /nfs/dbraw/zinc/85/16/42/474851642.db2.gz IRDHUXQWKAJELN-GFCCVEGCSA-N 1 0 334.372 2.655 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000339028302 474852337 /nfs/dbraw/zinc/85/23/37/474852337.db2.gz BFKUFHUMJCKGHW-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292109548 474853855 /nfs/dbraw/zinc/85/38/55/474853855.db2.gz GWMQIWMXFTYNCA-OAHLLOKOSA-N 1 0 333.432 2.780 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273351000 474855573 /nfs/dbraw/zinc/85/55/73/474855573.db2.gz CQJAYVNJQNIWLC-UHFFFAOYSA-N 1 0 338.383 2.930 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060528 474857032 /nfs/dbraw/zinc/85/70/32/474857032.db2.gz GWRGQIPFDDWAEG-ROUUACIJSA-N 1 0 339.395 2.731 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000255499544 474861507 /nfs/dbraw/zinc/86/15/07/474861507.db2.gz WOBKQBGBMURKTC-KTKRTIGZSA-N 1 0 339.395 2.986 20 5 EFBDRO CC(C)(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000339035524 474862992 /nfs/dbraw/zinc/86/29/92/474862992.db2.gz XREARGRYFCYRRB-NSHDSACASA-N 1 0 333.310 2.603 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000278843691 474866573 /nfs/dbraw/zinc/86/65/73/474866573.db2.gz WMVORCADVIMQMY-LBPRGKRZSA-N 1 0 339.823 2.938 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293207067 474868316 /nfs/dbraw/zinc/86/83/16/474868316.db2.gz RBYCAWRUTIAYOO-RISCZKNCSA-N 1 0 332.360 2.553 20 5 EFBDRO C[N@@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000345073363 474868850 /nfs/dbraw/zinc/86/88/50/474868850.db2.gz XGPRCOCYTJZTKA-SJORKVTESA-N 1 0 343.358 2.562 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCC1 ZINC000292146138 474873072 /nfs/dbraw/zinc/87/30/72/474873072.db2.gz NAOABZSZKFMUIX-UHFFFAOYSA-N 1 0 331.372 2.639 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000268274746 474901856 /nfs/dbraw/zinc/90/18/56/474901856.db2.gz XDWIRSGKJRUYHH-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000319761200 474903168 /nfs/dbraw/zinc/90/31/68/474903168.db2.gz XSVQADUOAYALOO-UHFFFAOYSA-N 1 0 325.796 2.743 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268285386 474907084 /nfs/dbraw/zinc/90/70/84/474907084.db2.gz XGMBXSMKGPZVHO-AWEZNQCLSA-N 1 0 325.796 2.739 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000337336236 474909742 /nfs/dbraw/zinc/90/97/42/474909742.db2.gz LXHUOMQVEMSJDS-LSDHHAIUSA-N 1 0 348.447 2.999 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293296006 474914248 /nfs/dbraw/zinc/91/42/48/474914248.db2.gz KNEVACYOEDOVLP-INIZCTEOSA-N 1 0 330.384 2.509 20 5 EFBDRO CC1(C)CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273467396 474914283 /nfs/dbraw/zinc/91/42/83/474914283.db2.gz RJPRNGCVAVWATG-ZDUSSCGKSA-N 1 0 340.445 2.927 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+]1CCCC1 ZINC000273475195 474919034 /nfs/dbraw/zinc/91/90/34/474919034.db2.gz HQVXVVMCWWBZGH-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000273477213 474920437 /nfs/dbraw/zinc/92/04/37/474920437.db2.gz PRHKHFAGMCSKQR-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255917995 474920651 /nfs/dbraw/zinc/92/06/51/474920651.db2.gz CFPPKRQEASYLFS-OSSRSAFMSA-N 1 0 329.400 2.693 20 5 EFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293323455 474927590 /nfs/dbraw/zinc/92/75/90/474927590.db2.gz GCGLVRYSZGEHND-UHFFFAOYSA-N 1 0 332.360 2.606 20 5 EFBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000273504249 474934795 /nfs/dbraw/zinc/93/47/95/474934795.db2.gz PRGXNKNMUSPGCD-SFHVURJKSA-N 1 0 341.411 2.604 20 5 EFBDRO CCOc1cc(N2CC[NH+](CCCCF)CC2)ccc1[N+](=O)[O-] ZINC000285238032 474940335 /nfs/dbraw/zinc/94/03/35/474940335.db2.gz HPFVDLXPCINOCU-UHFFFAOYSA-N 1 0 325.384 2.865 20 5 EFBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000292294295 474946612 /nfs/dbraw/zinc/94/66/12/474946612.db2.gz ULQMGJRWLNRFCB-PBHICJAKSA-N 1 0 332.404 2.624 20 5 EFBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000292294299 474947112 /nfs/dbraw/zinc/94/71/12/474947112.db2.gz ULQMGJRWLNRFCB-WMLDXEAASA-N 1 0 332.404 2.624 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000273580324 474974323 /nfs/dbraw/zinc/97/43/23/474974323.db2.gz FQIFFJYWOBPRHV-GFCCVEGCSA-N 1 0 333.417 2.770 20 5 EFBDRO O=C(C[NH+](C1CCC1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292351479 474977121 /nfs/dbraw/zinc/97/71/21/474977121.db2.gz HKJQJAPUJHGBMA-UHFFFAOYSA-N 1 0 329.400 2.891 20 5 EFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000285339889 474978553 /nfs/dbraw/zinc/97/85/53/474978553.db2.gz URQACIXDKGRASJ-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000341111187 474986111 /nfs/dbraw/zinc/98/61/11/474986111.db2.gz DLAXGUSAQYRFOZ-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([NH2+]CC2CC2)CC1 ZINC000261603291 474990162 /nfs/dbraw/zinc/99/01/62/474990162.db2.gz BYRLKSZVWLVEQS-UHFFFAOYSA-N 1 0 344.337 2.977 20 5 EFBDRO Cc1nnc([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459742 474990878 /nfs/dbraw/zinc/99/08/78/474990878.db2.gz KPNHAJKOSJESEB-AWEZNQCLSA-N 1 0 345.403 2.670 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000261617659 474998270 /nfs/dbraw/zinc/99/82/70/474998270.db2.gz AKEHGCILVNCLAZ-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000326376728 475003427 /nfs/dbraw/zinc/00/34/27/475003427.db2.gz KYHAKBHJBUHLIH-NSHDSACASA-N 1 0 327.340 2.777 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292398569 475004944 /nfs/dbraw/zinc/00/49/44/475004944.db2.gz SWSYKAANHNHQIU-SFHVURJKSA-N 1 0 331.416 2.886 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268483043 475006940 /nfs/dbraw/zinc/00/69/40/475006940.db2.gz LRBPNFGVOLHXQT-QGZVFWFLSA-N 1 0 328.368 2.565 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000292415279 475014127 /nfs/dbraw/zinc/01/41/27/475014127.db2.gz MJSGINJVISCVMX-CYBMUJFWSA-N 1 0 349.456 2.559 20 5 EFBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268504129 475019365 /nfs/dbraw/zinc/01/93/65/475019365.db2.gz BBRQYVHEUZEEAR-UHFFFAOYSA-N 1 0 343.811 2.670 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609291213 480139317 /nfs/dbraw/zinc/13/93/17/480139317.db2.gz NPHPMRFOYIMBGY-UKRRQHHQSA-N 1 0 346.431 2.972 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C1CCC1)C1CCC1 ZINC000292439414 475028278 /nfs/dbraw/zinc/02/82/78/475028278.db2.gz OGXGTQXMSUYRLM-UHFFFAOYSA-N 1 0 333.388 2.949 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CCC1 ZINC000261710279 475035798 /nfs/dbraw/zinc/03/57/98/475035798.db2.gz IVRJEDLYHVKHOR-UHFFFAOYSA-N 1 0 339.149 2.745 20 5 EFBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000280779559 475048835 /nfs/dbraw/zinc/04/88/35/475048835.db2.gz PYRGINBEFWYMHV-FQEVSTJZSA-N 1 0 336.391 2.644 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273839843 475076262 /nfs/dbraw/zinc/07/62/62/475076262.db2.gz JFUQJBQYGXRGKP-KRWDZBQOSA-N 1 0 327.384 2.984 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000261842586 475081921 /nfs/dbraw/zinc/08/19/21/475081921.db2.gz SBPNKHFEMICJOG-ZETCQYMHSA-N 1 0 341.165 2.558 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341496244 475091253 /nfs/dbraw/zinc/09/12/53/475091253.db2.gz YYBBATNGNSRIDN-OCCSQVGLSA-N 1 0 336.388 2.672 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000287138136 475094758 /nfs/dbraw/zinc/09/47/58/475094758.db2.gz YALCRDHMGRPILV-MAUKXSAKSA-N 1 0 333.432 2.922 20 5 EFBDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268965110 475099639 /nfs/dbraw/zinc/09/96/39/475099639.db2.gz YOIHUTNWXSIGJV-NEPJUHHUSA-N 1 0 336.413 2.981 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292581610 475099716 /nfs/dbraw/zinc/09/97/16/475099716.db2.gz UOBFWFONWPZBSG-UHFFFAOYSA-N 1 0 327.812 2.531 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997012 475119609 /nfs/dbraw/zinc/11/96/09/475119609.db2.gz IECIESUDJFTJQL-FSPWUOQZSA-N 1 0 329.444 2.988 20 5 EFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000281217787 475120262 /nfs/dbraw/zinc/12/02/62/475120262.db2.gz UTKGZVBYGNVFRN-SFHVURJKSA-N 1 0 343.383 2.813 20 5 EFBDRO CC[C@@H](C)[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287383043 475121717 /nfs/dbraw/zinc/12/17/17/475121717.db2.gz MZZYOYMHOVMUEH-CYBMUJFWSA-N 1 0 333.388 2.885 20 5 EFBDRO COCCn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000337554158 475122696 /nfs/dbraw/zinc/12/26/96/475122696.db2.gz QECHSITYHCSMHK-QGZVFWFLSA-N 1 0 344.415 2.950 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C[NH2+]1 ZINC000261950868 475123172 /nfs/dbraw/zinc/12/31/72/475123172.db2.gz FXYSCUZGGREIHA-VXGBXAGGSA-N 1 0 332.429 2.901 20 5 EFBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000341539947 475127262 /nfs/dbraw/zinc/12/72/62/475127262.db2.gz WZKFOLSFGNIEHW-UHFFFAOYSA-N 1 0 334.397 2.678 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000345364114 475128941 /nfs/dbraw/zinc/12/89/41/475128941.db2.gz YNIIQIXJAABPLG-MRXNPFEDSA-N 1 0 344.415 2.528 20 5 EFBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000261967428 475129353 /nfs/dbraw/zinc/12/93/53/475129353.db2.gz YMNWKYZPGAHZRU-ZDUSSCGKSA-N 1 0 333.310 2.794 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1cn2c(n1)SCC2 ZINC000341553623 475139270 /nfs/dbraw/zinc/13/92/70/475139270.db2.gz NINQTYNNRFBRRS-HYXAFXHYSA-N 1 0 330.413 2.743 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000287440260 475147798 /nfs/dbraw/zinc/14/77/98/475147798.db2.gz KZJAKYSCWGCXNZ-WBVHZDCISA-N 1 0 348.443 2.827 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000287440255 475148735 /nfs/dbraw/zinc/14/87/35/475148735.db2.gz KZJAKYSCWGCXNZ-RDJZCZTQSA-N 1 0 348.443 2.827 20 5 EFBDRO Cc1c(CC(=O)N2CC(C)(C)[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000295986400 475155575 /nfs/dbraw/zinc/15/55/75/475155575.db2.gz UJNITMURHXEIOP-MRXNPFEDSA-N 1 0 342.399 2.789 20 5 EFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000273999558 475158074 /nfs/dbraw/zinc/15/80/74/475158074.db2.gz STZGZWLYZZGWQC-UHFFFAOYSA-N 1 0 342.403 2.523 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296007595 475163788 /nfs/dbraw/zinc/16/37/88/475163788.db2.gz LBSPKKNEIBPBOL-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009099 475165245 /nfs/dbraw/zinc/16/52/45/475165245.db2.gz MLUAKFWHSGLCDC-VCTAVGKDSA-N 1 0 346.387 2.794 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000287495646 475170951 /nfs/dbraw/zinc/17/09/51/475170951.db2.gz NMVBWAQSXBXQJE-ZBFHGGJFSA-N 1 0 346.431 2.926 20 5 EFBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000269109660 475176402 /nfs/dbraw/zinc/17/64/02/475176402.db2.gz DCZROVQVWZLLGB-CYBMUJFWSA-N 1 0 341.367 2.821 20 5 EFBDRO CO[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296043871 475176733 /nfs/dbraw/zinc/17/67/33/475176733.db2.gz OFNSWJLUACBUNJ-DOMZBBRYSA-N 1 0 335.404 2.669 20 5 EFBDRO O=C(NC1CC[NH2+]CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000262127393 475179632 /nfs/dbraw/zinc/17/96/32/475179632.db2.gz HRTDLRQSVOFVIP-UHFFFAOYSA-N 1 0 340.383 2.820 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)C1 ZINC000292749497 475180959 /nfs/dbraw/zinc/18/09/59/475180959.db2.gz JMHYEJIJRBZTQK-OAHLLOKOSA-N 1 0 333.417 2.522 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000296072156 475186228 /nfs/dbraw/zinc/18/62/28/475186228.db2.gz ORECRCZEOYIKKL-NSHDSACASA-N 1 0 341.383 2.593 20 5 EFBDRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000339389447 475186376 /nfs/dbraw/zinc/18/63/76/475186376.db2.gz QTEOIIWGBMKCAO-JTQLQIEISA-N 1 0 336.348 2.708 20 5 EFBDRO Cc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000341623303 475191206 /nfs/dbraw/zinc/19/12/06/475191206.db2.gz SETNBGRZSHNDBA-UHFFFAOYSA-N 1 0 327.384 2.730 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296087678 475191657 /nfs/dbraw/zinc/19/16/57/475191657.db2.gz WJDFTCYIGWLODG-UHFFFAOYSA-N 1 0 347.415 2.500 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262229867 475203650 /nfs/dbraw/zinc/20/36/50/475203650.db2.gz NURROJOAXPPGPT-CJNGLKHVSA-N 1 0 343.358 2.548 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CC(C)C ZINC000345466993 475207065 /nfs/dbraw/zinc/20/70/65/475207065.db2.gz RBWQQBSHDLLKRH-CYBMUJFWSA-N 1 0 336.436 2.663 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262302748 475217003 /nfs/dbraw/zinc/21/70/03/475217003.db2.gz OUROZJLVDAQZKJ-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352371905 475227692 /nfs/dbraw/zinc/22/76/92/475227692.db2.gz WCADKURYJKTTPR-SNVBAGLBSA-N 1 0 345.346 2.656 20 5 EFBDRO CC(=O)N[C@@H](C)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361156515 475229574 /nfs/dbraw/zinc/22/95/74/475229574.db2.gz SHIZSGSFDZUCFD-VSKVDJIOSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(=O)N[C@H](C)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361156506 475230010 /nfs/dbraw/zinc/23/00/10/475230010.db2.gz SHIZSGSFDZUCFD-BRLPQQTGSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000296229207 475230866 /nfs/dbraw/zinc/23/08/66/475230866.db2.gz PFYWBWMUTGZHDM-QGZVFWFLSA-N 1 0 332.404 2.853 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347328432 475235200 /nfs/dbraw/zinc/23/52/00/475235200.db2.gz AHUWBESNACVISU-DOMZBBRYSA-N 1 0 349.406 2.971 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000347331684 475237911 /nfs/dbraw/zinc/23/79/11/475237911.db2.gz FWHOUEHHBJHIIL-OJNOIJSXSA-N 1 0 329.400 2.741 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000341711286 475242023 /nfs/dbraw/zinc/24/20/23/475242023.db2.gz ZAKULCSXNALFPR-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347337212 475243367 /nfs/dbraw/zinc/24/33/67/475243367.db2.gz MDJYUNBTHURPOP-ZGUWOUCSSA-N 1 0 331.416 2.798 20 5 EFBDRO CNc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000361180224 475248889 /nfs/dbraw/zinc/24/88/89/475248889.db2.gz QQKXTNSPDWUVRG-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386362 480155732 /nfs/dbraw/zinc/15/57/32/480155732.db2.gz QSWSORMMAASPRL-LSDHHAIUSA-N 1 0 348.447 2.693 20 5 EFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000357904918 475249831 /nfs/dbraw/zinc/24/98/31/475249831.db2.gz BNQVIFRCBQOIQY-GJZGRUSLSA-N 1 0 336.436 2.851 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000357913865 475256145 /nfs/dbraw/zinc/25/61/45/475256145.db2.gz OJCIRLVOCURXTR-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000361197753 475263294 /nfs/dbraw/zinc/26/32/94/475263294.db2.gz AHRLJDBZJRTNTA-GDBMZVCRSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@H+](C)CC1 ZINC000357922722 475264983 /nfs/dbraw/zinc/26/49/83/475264983.db2.gz TWCUVKCIXUQYPP-GFCCVEGCSA-N 1 0 340.383 2.523 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000347360068 475265066 /nfs/dbraw/zinc/26/50/66/475265066.db2.gz NVBZVTHNOMILEK-SDNWHVSQSA-N 1 0 331.416 2.976 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000296314856 475265332 /nfs/dbraw/zinc/26/53/32/475265332.db2.gz KEZQGCKRDTYKCT-RCBQFDQVSA-N 1 0 332.404 2.582 20 5 EFBDRO CNc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000361206403 475269075 /nfs/dbraw/zinc/26/90/75/475269075.db2.gz YPIBLEDAGOWOBD-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ncc([N+](=O)[O-])cn1 ZINC000354586596 475270943 /nfs/dbraw/zinc/27/09/43/475270943.db2.gz LVTACTLOKZTERJ-UHFFFAOYSA-N 1 0 335.795 2.606 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000345566328 475271095 /nfs/dbraw/zinc/27/10/95/475271095.db2.gz MXFBWIZSGMYQEJ-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296354947 475279704 /nfs/dbraw/zinc/27/97/04/475279704.db2.gz RWXBOLYBYVOUKR-KBRIMQKVSA-N 1 0 348.399 2.529 20 5 EFBDRO COc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354602864 475283228 /nfs/dbraw/zinc/28/32/28/475283228.db2.gz ORFZYIDUKBIKDH-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1F ZINC000361226331 475284210 /nfs/dbraw/zinc/28/42/10/475284210.db2.gz ASOVFRRZCGBBFL-CYBMUJFWSA-N 1 0 329.331 2.629 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000357950266 475286641 /nfs/dbraw/zinc/28/66/41/475286641.db2.gz BNCZWCQUYOSDSX-KBPBESRZSA-N 1 0 336.436 2.992 20 5 EFBDRO Cc1cc(NCCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352431784 475290212 /nfs/dbraw/zinc/29/02/12/475290212.db2.gz OKWVIHSNBLBACK-UHFFFAOYSA-N 1 0 341.415 2.680 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000345601994 475297587 /nfs/dbraw/zinc/29/75/87/475297587.db2.gz XGNFMVSOARXZTM-AWEZNQCLSA-N 1 0 344.415 2.540 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000357976555 475305927 /nfs/dbraw/zinc/30/59/27/475305927.db2.gz QOJTURXZZMDWET-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361259776 475308777 /nfs/dbraw/zinc/30/87/77/475308777.db2.gz NFQDTCGUNUSLGH-ZDUSSCGKSA-N 1 0 331.420 2.635 20 5 EFBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000296469841 475329702 /nfs/dbraw/zinc/32/97/02/475329702.db2.gz OKWCIZHYOWAWQE-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296485442 475337237 /nfs/dbraw/zinc/33/72/37/475337237.db2.gz KRJUNQXYLIVQQO-HNNXBMFYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC1CC[NH+](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345658275 475343691 /nfs/dbraw/zinc/34/36/91/475343691.db2.gz OBCOHXUMMYJWBQ-QGZVFWFLSA-N 1 0 349.456 2.901 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296504699 475346467 /nfs/dbraw/zinc/34/64/67/475346467.db2.gz ZIEOBKUZROULPS-APHBMKBZSA-N 1 0 347.415 2.859 20 5 EFBDRO CSCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495030 475349445 /nfs/dbraw/zinc/34/94/45/475349445.db2.gz IBXDSOUQBGFCEC-JSGCOSHPSA-N 1 0 339.461 2.764 20 5 EFBDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496576 475350393 /nfs/dbraw/zinc/35/03/93/475350393.db2.gz XFIPVQHKVVVAHY-KBPBESRZSA-N 1 0 325.434 2.503 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339618719 475352147 /nfs/dbraw/zinc/35/21/47/475352147.db2.gz JAEQZAWFMISBKH-JHJVBQTASA-N 1 0 345.403 2.730 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000347910982 475355520 /nfs/dbraw/zinc/35/55/20/475355520.db2.gz SFJGELRDJAXGHN-UHFFFAOYSA-N 1 0 339.461 2.877 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296537059 475360569 /nfs/dbraw/zinc/36/05/69/475360569.db2.gz DTUWRHLNYBLDQL-ZDUSSCGKSA-N 1 0 325.368 2.835 20 5 EFBDRO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652505 475364447 /nfs/dbraw/zinc/36/44/47/475364447.db2.gz KKWMNWLJLDXRIK-HZPDHXFCSA-N 1 0 333.388 2.567 20 5 EFBDRO COCC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000337836728 475364871 /nfs/dbraw/zinc/36/48/71/475364871.db2.gz CMRLEIRAUOAGCT-JKSUJKDBSA-N 1 0 349.431 2.741 20 5 EFBDRO COCC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000337836722 475364976 /nfs/dbraw/zinc/36/49/76/475364976.db2.gz CMRLEIRAUOAGCT-CVEARBPZSA-N 1 0 349.431 2.741 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358063750 475370037 /nfs/dbraw/zinc/37/00/37/475370037.db2.gz ZYKJFZJOLHEYQX-UHFFFAOYSA-N 1 0 349.406 2.780 20 5 EFBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337845450 475372338 /nfs/dbraw/zinc/37/23/38/475372338.db2.gz HBWNPHWQCCSBJJ-WFASDCNBSA-N 1 0 337.420 2.963 20 5 EFBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337853047 475378725 /nfs/dbraw/zinc/37/87/25/475378725.db2.gz KBEUZJIXWLFQAJ-DOMZBBRYSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000358087239 475387390 /nfs/dbraw/zinc/38/73/90/475387390.db2.gz CUWVYGBNKJJIFS-ZDUSSCGKSA-N 1 0 346.431 2.780 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000337866469 475390025 /nfs/dbraw/zinc/39/00/25/475390025.db2.gz OZVHEBMOBTUKLZ-UHFFFAOYSA-N 1 0 335.404 2.530 20 5 EFBDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722526 475391725 /nfs/dbraw/zinc/39/17/25/475391725.db2.gz KGIACPOCAOHDII-OWCLPIDISA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331737979 475398518 /nfs/dbraw/zinc/39/85/18/475398518.db2.gz USPGGZRYWCIJFG-LSDHHAIUSA-N 1 0 331.416 2.990 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339684315 475407427 /nfs/dbraw/zinc/40/74/27/475407427.db2.gz USYSAGUPTPXPNX-CQSZACIVSA-N 1 0 341.415 2.891 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[N@@H+]1C ZINC000345740976 475409869 /nfs/dbraw/zinc/40/98/69/475409869.db2.gz HXTQSOYNRIATNU-BBRMVZONSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000348140345 475420474 /nfs/dbraw/zinc/42/04/74/475420474.db2.gz BBHVWTOZGYHIIU-WDEREUQCSA-N 1 0 341.795 2.591 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000348139396 475420624 /nfs/dbraw/zinc/42/06/24/475420624.db2.gz HXTJECGNNYVJFY-KBPBESRZSA-N 1 0 335.404 2.637 20 5 EFBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296668175 475421165 /nfs/dbraw/zinc/42/11/65/475421165.db2.gz ZDNUQDGZIXPTER-LBPRGKRZSA-N 1 0 327.388 2.552 20 5 EFBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358125598 475421405 /nfs/dbraw/zinc/42/14/05/475421405.db2.gz IDXPVEDNUKPGDN-HNNXBMFYSA-N 1 0 333.432 2.810 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000348141797 475422902 /nfs/dbraw/zinc/42/29/02/475422902.db2.gz MGTZIZLSXYBZKI-KGLIPLIRSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCOC1 ZINC000348145956 475425143 /nfs/dbraw/zinc/42/51/43/475425143.db2.gz MKSWCRNCZZCGAH-WCQYABFASA-N 1 0 332.360 2.550 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000358132764 475427854 /nfs/dbraw/zinc/42/78/54/475427854.db2.gz OKPZLMQSXWENNU-GFCCVEGCSA-N 1 0 337.420 2.949 20 5 EFBDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706649 475430419 /nfs/dbraw/zinc/43/04/19/475430419.db2.gz VTJBCCSNVDUYTA-RDTXWAMCSA-N 1 0 349.431 2.652 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341942639 475434924 /nfs/dbraw/zinc/43/49/24/475434924.db2.gz ZZWKBELNGVWMAB-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000331873510 475442345 /nfs/dbraw/zinc/44/23/45/475442345.db2.gz OYUXJETZKLZHHL-OAGGEKHMSA-N 1 0 346.431 2.754 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345778191 475443677 /nfs/dbraw/zinc/44/36/77/475443677.db2.gz LEOMHAFAWVTKMK-YOEHRIQHSA-N 1 0 348.447 2.998 20 5 EFBDRO CC(=O)NC1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361432001 475445616 /nfs/dbraw/zinc/44/56/16/475445616.db2.gz ICPAJOWWNMZJFB-UHFFFAOYSA-N 1 0 333.432 2.954 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000341955748 475448450 /nfs/dbraw/zinc/44/84/50/475448450.db2.gz ZGRFDASUNWFHCP-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339732188 475450800 /nfs/dbraw/zinc/45/08/00/475450800.db2.gz ZDQRKUVTAOQLKF-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354843919 475454534 /nfs/dbraw/zinc/45/45/34/475454534.db2.gz MGMJZRAGXUGBAH-MRXNPFEDSA-N 1 0 331.416 2.744 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000341973394 475463034 /nfs/dbraw/zinc/46/30/34/475463034.db2.gz GGWSWMOGBWXYPN-SFHVURJKSA-N 1 0 325.412 2.954 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1 ZINC000339756201 475473128 /nfs/dbraw/zinc/47/31/28/475473128.db2.gz CHAFWLOMKVHILM-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC(C)(C)C1 ZINC000361471165 475477599 /nfs/dbraw/zinc/47/75/99/475477599.db2.gz XPUJVXXSBGGLBC-LLVKDONJSA-N 1 0 349.387 2.773 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000296791800 475478649 /nfs/dbraw/zinc/47/86/49/475478649.db2.gz OFKHLBYHGIZMLG-NHYWBVRUSA-N 1 0 337.807 2.723 20 5 EFBDRO CN(C)[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000331997730 475480768 /nfs/dbraw/zinc/48/07/68/475480768.db2.gz VTQXNVARTRIBPX-SJORKVTESA-N 1 0 335.473 2.999 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000345828291 475487794 /nfs/dbraw/zinc/48/77/94/475487794.db2.gz IYIWRSIVVMEIRC-ZFWWWQNUSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296817613 475490226 /nfs/dbraw/zinc/49/02/26/475490226.db2.gz ZEIMNEDBYNVSDW-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000332043191 475493174 /nfs/dbraw/zinc/49/31/74/475493174.db2.gz LUXQZQZKNDPHOC-XZJROXQQSA-N 1 0 335.379 2.580 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000342002135 475496031 /nfs/dbraw/zinc/49/60/31/475496031.db2.gz DQQYTWCHNSZCOW-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000342002655 475496510 /nfs/dbraw/zinc/49/65/10/475496510.db2.gz JRTJHLQWDSNMHL-UHFFFAOYSA-N 1 0 342.399 2.968 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332070169 475500589 /nfs/dbraw/zinc/50/05/89/475500589.db2.gz BMMODXNMCKQEDI-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@@H]1O ZINC000352660278 475502255 /nfs/dbraw/zinc/50/22/55/475502255.db2.gz RKWUWAQBOCXWIM-GJZGRUSLSA-N 1 0 331.372 2.638 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000332083667 475504197 /nfs/dbraw/zinc/50/41/97/475504197.db2.gz PBAZGGIMQLZDIG-CABCVRRESA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000332113643 475516680 /nfs/dbraw/zinc/51/66/80/475516680.db2.gz HCTUQPVDERDPSD-PBHICJAKSA-N 1 0 346.431 2.926 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000338026626 475519179 /nfs/dbraw/zinc/51/91/79/475519179.db2.gz DUSLEUPRGORTOD-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332194606 475552053 /nfs/dbraw/zinc/55/20/53/475552053.db2.gz UYNFCUGPINYLLY-INIZCTEOSA-N 1 0 346.431 2.673 20 5 EFBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332202510 475554999 /nfs/dbraw/zinc/55/49/99/475554999.db2.gz GLWPFRCTARAOAQ-ZDUSSCGKSA-N 1 0 335.360 2.741 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346160226 475566674 /nfs/dbraw/zinc/56/66/74/475566674.db2.gz FEOFWTABEPXWCJ-IVMMDQJWSA-N 1 0 331.416 2.706 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358297626 475569857 /nfs/dbraw/zinc/56/98/57/475569857.db2.gz FDGPGVSRFMSQGC-UHFFFAOYSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000339861724 475569875 /nfs/dbraw/zinc/56/98/75/475569875.db2.gz OYBLLIKLFXOKDP-QEJZJMRPSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000338079526 475571195 /nfs/dbraw/zinc/57/11/95/475571195.db2.gz WSFNSIQJFJJFKB-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1c(CNC(=O)NCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000358304902 475576935 /nfs/dbraw/zinc/57/69/35/475576935.db2.gz DGKMWXHCUTWLRW-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO Cc1c(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358307075 475577618 /nfs/dbraw/zinc/57/76/18/475577618.db2.gz JOFMQLFLPYGIPK-AWEZNQCLSA-N 1 0 348.447 2.967 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000358307798 475578404 /nfs/dbraw/zinc/57/84/04/475578404.db2.gz IDWHDXRRMCSIDU-ZDUSSCGKSA-N 1 0 348.424 2.855 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332259840 475579315 /nfs/dbraw/zinc/57/93/15/475579315.db2.gz AXXUWPXEXAGPIZ-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332266286 475580030 /nfs/dbraw/zinc/58/00/30/475580030.db2.gz BXZASDWOVOLYHM-OAHLLOKOSA-N 1 0 347.415 2.590 20 5 EFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1c([N+](=O)[O-])ncn1C ZINC000348306068 475580234 /nfs/dbraw/zinc/58/02/34/475580234.db2.gz WWSZLQMLWYTRGB-INIZCTEOSA-N 1 0 345.447 2.575 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000332306597 475594653 /nfs/dbraw/zinc/59/46/53/475594653.db2.gz GWJPHCDGNOYKKM-CZUORRHYSA-N 1 0 349.431 2.766 20 5 EFBDRO CSC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332307008 475595352 /nfs/dbraw/zinc/59/53/52/475595352.db2.gz LQJZTZUTJVOBAD-ZDUSSCGKSA-N 1 0 349.456 2.559 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332320528 475599561 /nfs/dbraw/zinc/59/95/61/475599561.db2.gz RHFOPTUJYBEGQB-INIZCTEOSA-N 1 0 342.399 2.555 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000358351310 475611915 /nfs/dbraw/zinc/61/19/15/475611915.db2.gz LUFHSLNUBJMFSG-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000348356928 475616025 /nfs/dbraw/zinc/61/60/25/475616025.db2.gz ODDCAHWIPPNYIK-LBPRGKRZSA-N 1 0 336.413 2.921 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000358358548 475616197 /nfs/dbraw/zinc/61/61/97/475616197.db2.gz UEXQZFFOXAVQBX-ZDUSSCGKSA-N 1 0 346.431 2.855 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000332378700 475617520 /nfs/dbraw/zinc/61/75/20/475617520.db2.gz YGFBYRGMKHKWJF-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436330 475636903 /nfs/dbraw/zinc/63/69/03/475636903.db2.gz GVZNNYGFXJNPLU-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352802336 475637875 /nfs/dbraw/zinc/63/78/75/475637875.db2.gz VOUMHFZAPUEBQD-JSGCOSHPSA-N 1 0 329.404 2.530 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000361659685 475639921 /nfs/dbraw/zinc/63/99/21/475639921.db2.gz IQAVMGBAYMGFEF-OLZOCXBDSA-N 1 0 346.383 2.924 20 5 EFBDRO CCc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000297189220 475648221 /nfs/dbraw/zinc/64/82/21/475648221.db2.gz OLWAGMTYFPKNPB-UHFFFAOYSA-N 1 0 331.416 2.904 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332489682 475652046 /nfs/dbraw/zinc/65/20/46/475652046.db2.gz ACLHBTXOJCVKOZ-ZWKOTPCHSA-N 1 0 333.432 2.623 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332505961 475654580 /nfs/dbraw/zinc/65/45/80/475654580.db2.gz IEAZKWMTGUDLGV-LSDHHAIUSA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358416588 475662344 /nfs/dbraw/zinc/66/23/44/475662344.db2.gz CTQHFZVSSOMEEV-CHWSQXEVSA-N 1 0 337.395 2.656 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000297250986 475674846 /nfs/dbraw/zinc/67/48/46/475674846.db2.gz RVRYEXIFTTWUAT-QGZVFWFLSA-N 1 0 332.404 2.771 20 5 EFBDRO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000346588688 475681830 /nfs/dbraw/zinc/68/18/30/475681830.db2.gz BFLGJBPVNNBNBH-UHFFFAOYSA-N 1 0 337.376 2.630 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348471369 475686024 /nfs/dbraw/zinc/68/60/24/475686024.db2.gz UKUGBFYMZJMXFX-HRCADAONSA-N 1 0 349.456 2.964 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348471367 475686058 /nfs/dbraw/zinc/68/60/58/475686058.db2.gz UKUGBFYMZJMXFX-ARFHVFGLSA-N 1 0 349.456 2.964 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000332639781 475697638 /nfs/dbraw/zinc/69/76/38/475697638.db2.gz RKNTYFIVRIXDCM-UONOGXRCSA-N 1 0 336.367 2.824 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000332644780 475698548 /nfs/dbraw/zinc/69/85/48/475698548.db2.gz MBJDVLLJUUKQBB-CHWSQXEVSA-N 1 0 329.404 2.975 20 5 EFBDRO COCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCCC1 ZINC000353148081 475720212 /nfs/dbraw/zinc/72/02/12/475720212.db2.gz GGKAJYDXHGGFNU-UHFFFAOYSA-N 1 0 338.404 2.996 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000358499786 475727282 /nfs/dbraw/zinc/72/72/82/475727282.db2.gz UAYSVNYTWBBRMR-OLZOCXBDSA-N 1 0 349.431 2.905 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348538667 475738939 /nfs/dbraw/zinc/73/89/39/475738939.db2.gz UPSFNBNPILZABE-QWHCGFSZSA-N 1 0 343.330 2.592 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000343068629 475739728 /nfs/dbraw/zinc/73/97/28/475739728.db2.gz UNMLAVZIRQKLDQ-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000346661243 475741929 /nfs/dbraw/zinc/74/19/29/475741929.db2.gz UELULTCKUFIYKT-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO NC(=O)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000346675086 475753668 /nfs/dbraw/zinc/75/36/68/475753668.db2.gz OAUOVSDXUHNZTQ-CQSZACIVSA-N 1 0 347.802 2.682 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340095846 475755468 /nfs/dbraw/zinc/75/54/68/475755468.db2.gz TYACZWGSRMVEPM-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358548140 475762386 /nfs/dbraw/zinc/76/23/86/475762386.db2.gz TUNBVAQDMBGHAE-ZIAGYGMSSA-N 1 0 348.447 2.965 20 5 EFBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348577577 475767577 /nfs/dbraw/zinc/76/75/77/475767577.db2.gz MDUWMABUOJGXHM-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472577 475770429 /nfs/dbraw/zinc/77/04/29/475770429.db2.gz UVXKMGNOFIOTAK-KBPBESRZSA-N 1 0 346.431 2.782 20 5 EFBDRO Cn1cnc2cc(CN3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000297511864 475788530 /nfs/dbraw/zinc/78/85/30/475788530.db2.gz XHIZQQVBBDGBQR-UHFFFAOYSA-N 1 0 338.367 2.745 20 5 EFBDRO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338334935 475798217 /nfs/dbraw/zinc/79/82/17/475798217.db2.gz UCGHKKGJRRQIOF-ZNMIVQPWSA-N 1 0 333.432 2.857 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297575060 475813975 /nfs/dbraw/zinc/81/39/75/475813975.db2.gz LMUZANCKCBNQGP-AWEZNQCLSA-N 1 0 334.420 2.639 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338359516 475823959 /nfs/dbraw/zinc/82/39/59/475823959.db2.gz OBCBCDJETSHBIF-CHWSQXEVSA-N 1 0 345.403 2.984 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338365813 475829812 /nfs/dbraw/zinc/82/98/12/475829812.db2.gz GVTVRPNCRBFDIL-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000355341438 475843161 /nfs/dbraw/zinc/84/31/61/475843161.db2.gz JRPJECJLTAESSV-MELADBBJSA-N 1 0 335.404 2.635 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340210989 475860954 /nfs/dbraw/zinc/86/09/54/475860954.db2.gz OQDWHGBNAMAJCJ-KBPBESRZSA-N 1 0 348.321 2.751 20 5 EFBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361924399 475870432 /nfs/dbraw/zinc/87/04/32/475870432.db2.gz NGRHWTFAFNMFJE-HNNXBMFYSA-N 1 0 328.372 2.720 20 5 EFBDRO CC(C)(NC(=O)NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000346818258 475883013 /nfs/dbraw/zinc/88/30/13/475883013.db2.gz BIFHNOYDZUXFCY-UHFFFAOYSA-N 1 0 334.420 2.615 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000338425619 475893588 /nfs/dbraw/zinc/89/35/88/475893588.db2.gz NZJABDUZUBSXMF-LBPRGKRZSA-N 1 0 325.434 2.532 20 5 EFBDRO COCC1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000358736724 475894217 /nfs/dbraw/zinc/89/42/17/475894217.db2.gz MIXCCJYZMQRREU-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO COCC1(C)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358738241 475895281 /nfs/dbraw/zinc/89/52/81/475895281.db2.gz DIAQZWRKDKFQIV-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000297839915 475902448 /nfs/dbraw/zinc/90/24/48/475902448.db2.gz WLZGTKHMPHUMKI-AWEZNQCLSA-N 1 0 342.399 2.677 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840691 475903862 /nfs/dbraw/zinc/90/38/62/475903862.db2.gz UXQMXWVLYYHUNU-JKSUJKDBSA-N 1 0 340.445 2.993 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000346847685 475907789 /nfs/dbraw/zinc/90/77/89/475907789.db2.gz MQTYAHSEABALSA-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4c3NCC4)CC2)c1 ZINC000346856990 475917678 /nfs/dbraw/zinc/91/76/78/475917678.db2.gz PYWUUGYGOGNNPC-UHFFFAOYSA-N 1 0 338.411 2.885 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000355417575 475918720 /nfs/dbraw/zinc/91/87/20/475918720.db2.gz BXPSGKYNXOHSCD-DZXKJOIRSA-N 1 0 331.416 2.846 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000340298258 475927631 /nfs/dbraw/zinc/92/76/31/475927631.db2.gz JDAOOJZCHDBDKQ-GDBMZVCRSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396503 475934804 /nfs/dbraw/zinc/93/48/04/475934804.db2.gz UBLAHAKZXZUDPS-KEYYUXOJSA-N 1 0 344.415 2.822 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000340333991 475956159 /nfs/dbraw/zinc/95/61/59/475956159.db2.gz LIAVHCHSUCNGOB-UHFFFAOYSA-N 1 0 345.403 2.535 20 5 EFBDRO CS[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000358814477 475961411 /nfs/dbraw/zinc/96/14/11/475961411.db2.gz UKZKCXOODKHVBL-HOTGVXAUSA-N 1 0 339.436 2.746 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000355513265 475996935 /nfs/dbraw/zinc/99/69/35/475996935.db2.gz LIYRNNXENYZAFH-CQSZACIVSA-N 1 0 339.395 2.924 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346968630 475997853 /nfs/dbraw/zinc/99/78/53/475997853.db2.gz LGFGDRDQFBZKIL-JKSUJKDBSA-N 1 0 343.383 2.567 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346971760 475999782 /nfs/dbraw/zinc/99/97/82/475999782.db2.gz NTSQAHFLSHWAEP-AEFFLSMTSA-N 1 0 343.383 2.567 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000355516589 476000466 /nfs/dbraw/zinc/00/04/66/476000466.db2.gz XEKZVDQHAMOVLD-RHSMWYFYSA-N 1 0 346.431 2.671 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343385973 476009167 /nfs/dbraw/zinc/00/91/67/476009167.db2.gz MBXDKJQLIMUKPK-GXTWGEPZSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343391326 476013934 /nfs/dbraw/zinc/01/39/34/476013934.db2.gz CLKWYXSMVXSWGH-WBVHZDCISA-N 1 0 330.388 2.992 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343392254 476015617 /nfs/dbraw/zinc/01/56/17/476015617.db2.gz TXVYXLJIPMXHJX-ZBFHGGJFSA-N 1 0 330.388 2.739 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496549 476019927 /nfs/dbraw/zinc/01/99/27/476019927.db2.gz MLOCKONTXJJZQI-RHSMWYFYSA-N 1 0 345.447 2.738 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340413876 476020643 /nfs/dbraw/zinc/02/06/43/476020643.db2.gz QUSQHUGGWAULNU-MGPQQGTHSA-N 1 0 340.445 2.595 20 5 EFBDRO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343406320 476034681 /nfs/dbraw/zinc/03/46/81/476034681.db2.gz UVIZLXMZRXUXPZ-NVXWUHKLSA-N 1 0 330.388 2.992 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358913516 476035511 /nfs/dbraw/zinc/03/55/11/476035511.db2.gz DXDSHRVMHHTTMD-MRXNPFEDSA-N 1 0 348.447 2.967 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000343409023 476036839 /nfs/dbraw/zinc/03/68/39/476036839.db2.gz ZSNHXVJGPMBQHY-MCKRRDHZSA-N 1 0 342.399 2.944 20 5 EFBDRO CCCC[N@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515294 476037388 /nfs/dbraw/zinc/03/73/88/476037388.db2.gz DNEMYIZAVJKSLA-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO C[C@H](CC(F)(F)F)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000362189857 476060473 /nfs/dbraw/zinc/06/04/73/476060473.db2.gz PMCNZWMBNBQFFT-SECBINFHSA-N 1 0 342.277 2.851 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000334043571 476096150 /nfs/dbraw/zinc/09/61/50/476096150.db2.gz JNLJIXJZEIRUTC-RYUDHWBXSA-N 1 0 338.383 2.976 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000353583227 476100288 /nfs/dbraw/zinc/10/02/88/476100288.db2.gz WSLLXTLNDJYUNR-MRXNPFEDSA-N 1 0 345.399 2.563 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000353583226 476101379 /nfs/dbraw/zinc/10/13/79/476101379.db2.gz WSLLXTLNDJYUNR-INIZCTEOSA-N 1 0 345.399 2.563 20 5 EFBDRO COc1c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334065086 476102286 /nfs/dbraw/zinc/10/22/86/476102286.db2.gz SOCVJWNJVULUGZ-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000362250460 476113612 /nfs/dbraw/zinc/11/36/12/476113612.db2.gz MJGJCEUGPBPVQR-OAHLLOKOSA-N 1 0 347.415 2.838 20 5 EFBDRO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000359013608 476114040 /nfs/dbraw/zinc/11/40/40/476114040.db2.gz JHZKRDKTRDHUMP-HZPDHXFCSA-N 1 0 329.404 2.811 20 5 EFBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000338703970 476120148 /nfs/dbraw/zinc/12/01/48/476120148.db2.gz BCDNLIGCIGZDEJ-GQCTYLIASA-N 1 0 329.331 2.975 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000350287976 476121245 /nfs/dbraw/zinc/12/12/45/476121245.db2.gz NCXLMRLMZYDNQU-ZDUSSCGKSA-N 1 0 336.338 2.814 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000359023485 476124442 /nfs/dbraw/zinc/12/44/42/476124442.db2.gz ZOKMYXFRBPUYKS-ZFWWWQNUSA-N 1 0 349.431 2.903 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCO3)s2)cc1 ZINC000338716217 476129046 /nfs/dbraw/zinc/12/90/46/476129046.db2.gz NYXQKAUBHHLEAF-CQSZACIVSA-N 1 0 334.397 2.828 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343896044 476129918 /nfs/dbraw/zinc/12/99/18/476129918.db2.gz MBWIMRZQRTYHEV-IAQYHMDHSA-N 1 0 349.456 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336793142 476129904 /nfs/dbraw/zinc/12/99/04/476129904.db2.gz VOUFGPGYZMJOIW-DLBZAZTESA-N 1 0 338.411 2.948 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000356789077 476130093 /nfs/dbraw/zinc/13/00/93/476130093.db2.gz FWXUPTMFQXMDMT-RYUDHWBXSA-N 1 0 325.384 2.682 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000338728283 476140582 /nfs/dbraw/zinc/14/05/82/476140582.db2.gz OMBOFMLAUMOAET-INIZCTEOSA-N 1 0 330.384 2.639 20 5 EFBDRO CN(C)c1cccnc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353633050 476140921 /nfs/dbraw/zinc/14/09/21/476140921.db2.gz VRXOPMJQQRLXPI-BBRMVZONSA-N 1 0 344.419 2.526 20 5 EFBDRO Cc1cc(NCCC(=O)NC(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336879263 476166957 /nfs/dbraw/zinc/16/69/57/476166957.db2.gz LTQLWQITAJVRGW-UHFFFAOYSA-N 1 0 330.388 2.590 20 5 EFBDRO C[C@@H]1[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000357031883 476173885 /nfs/dbraw/zinc/17/38/85/476173885.db2.gz CTZDTNLJNQNNQG-KGLIPLIRSA-N 1 0 344.415 2.817 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4CCC[NH2+][C@@H]4C3)cs2)c1 ZINC000353671927 476176921 /nfs/dbraw/zinc/17/69/21/476176921.db2.gz MPKABBCLYBFQPO-CZUORRHYSA-N 1 0 344.440 2.902 20 5 EFBDRO Cc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338784456 476183768 /nfs/dbraw/zinc/18/37/68/476183768.db2.gz KAYRGOUHUSWMFL-KBPBESRZSA-N 1 0 341.415 2.889 20 5 EFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000344270194 476204195 /nfs/dbraw/zinc/20/41/95/476204195.db2.gz MWIHFZIUFASCKB-BLLLJJGKSA-N 1 0 331.372 2.917 20 5 EFBDRO CCOc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000340686407 476204897 /nfs/dbraw/zinc/20/48/97/476204897.db2.gz SRJSCAGFXQLQGC-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc(C)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353717362 476213744 /nfs/dbraw/zinc/21/37/44/476213744.db2.gz VSBBGKFVJCMEHI-HNNXBMFYSA-N 1 0 342.399 2.993 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000344285398 476217148 /nfs/dbraw/zinc/21/71/48/476217148.db2.gz KKYDUDWDQBFGCO-UHOFOFEASA-N 1 0 334.420 2.828 20 5 EFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000336962308 476231702 /nfs/dbraw/zinc/23/17/02/476231702.db2.gz CYVPDPTVRSVEPC-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347296553 476240458 /nfs/dbraw/zinc/24/04/58/476240458.db2.gz FVKKGENVRYLGHW-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000347297917 476240503 /nfs/dbraw/zinc/24/05/03/476240503.db2.gz IDJCJRIANXJUGB-RYUDHWBXSA-N 1 0 338.383 2.976 20 5 EFBDRO CS[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000340733950 476241130 /nfs/dbraw/zinc/24/11/30/476241130.db2.gz BUGCZPRRWBVHBC-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000357118381 476244816 /nfs/dbraw/zinc/24/48/16/476244816.db2.gz HYSZVPFSPLSTMV-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000357138898 476258221 /nfs/dbraw/zinc/25/82/21/476258221.db2.gz XHZLIKALSKTXHY-KGLIPLIRSA-N 1 0 327.384 2.896 20 5 EFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000353845108 476298688 /nfs/dbraw/zinc/29/86/88/476298688.db2.gz NCKOEOTZUBXLNY-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000362540571 476301744 /nfs/dbraw/zinc/30/17/44/476301744.db2.gz LPOZTKSNVVIEIL-OLZOCXBDSA-N 1 0 335.429 2.673 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353913436 476323163 /nfs/dbraw/zinc/32/31/63/476323163.db2.gz MWWVZDZTQUYHQJ-ZIAGYGMSSA-N 1 0 332.404 2.906 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000353920960 476325187 /nfs/dbraw/zinc/32/51/87/476325187.db2.gz HAUNSTXARUPGOI-INIZCTEOSA-N 1 0 334.420 2.961 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978485 476344504 /nfs/dbraw/zinc/34/45/04/476344504.db2.gz LJECUCBTDKYJSI-KMFMINBZSA-N 1 0 344.415 2.680 20 5 EFBDRO Cc1sc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000357387591 476353852 /nfs/dbraw/zinc/35/38/52/476353852.db2.gz IPCADYIQHDZEBJ-UHFFFAOYSA-N 1 0 325.434 2.946 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000377343245 476359217 /nfs/dbraw/zinc/35/92/17/476359217.db2.gz DBAHWZUSXLEDRX-HNNXBMFYSA-N 1 0 347.415 2.598 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(OCCO)CC3)o2)c1 ZINC000354044043 476388042 /nfs/dbraw/zinc/38/80/42/476388042.db2.gz DSKDRZPJTXJVAZ-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000360842588 476420692 /nfs/dbraw/zinc/42/06/92/476420692.db2.gz OUUUHTCBYFLKEY-OAHLLOKOSA-N 1 0 331.420 2.704 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000360842587 476421179 /nfs/dbraw/zinc/42/11/79/476421179.db2.gz OUUUHTCBYFLKEY-HNNXBMFYSA-N 1 0 331.420 2.704 20 5 EFBDRO Cc1cc(Cc2noc(C[C@@H](C)n3ccnc3)n2)ccc1[N+](=O)[O-] ZINC000351430484 476454384 /nfs/dbraw/zinc/45/43/84/476454384.db2.gz OGTNKWONEHUTEK-GFCCVEGCSA-N 1 0 327.344 2.877 20 5 EFBDRO COc1cc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638721 476486146 /nfs/dbraw/zinc/48/61/46/476486146.db2.gz YMVQJPPNVUFRIC-YPMHNXCESA-N 1 0 326.368 2.725 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000351655430 476487863 /nfs/dbraw/zinc/48/78/63/476487863.db2.gz LEPPYECHVXXQMB-UHFFFAOYSA-N 1 0 346.362 2.987 20 5 EFBDRO CNc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000360951890 476498793 /nfs/dbraw/zinc/49/87/93/476498793.db2.gz UIVSVTNGYDYSPP-AWEZNQCLSA-N 1 0 348.447 2.877 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CC2CCCCC2)CC1 ZINC000360962346 476507978 /nfs/dbraw/zinc/50/79/78/476507978.db2.gz XTGDTBYJYKWMDX-UHFFFAOYSA-N 1 0 335.452 2.822 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360983151 476523404 /nfs/dbraw/zinc/52/34/04/476523404.db2.gz DOQYKESXWWEFOR-INIZCTEOSA-N 1 0 349.431 2.735 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363027141 476533711 /nfs/dbraw/zinc/53/37/11/476533711.db2.gz UVGYGFGZSZHBRF-WBVHZDCISA-N 1 0 346.431 2.530 20 5 EFBDRO CCc1nn(C)c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000361044975 476563703 /nfs/dbraw/zinc/56/37/03/476563703.db2.gz KARVJZKHFUKLTO-QWHCGFSZSA-N 1 0 335.452 2.956 20 5 EFBDRO Cc1ccc(C[N@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000361064015 476578121 /nfs/dbraw/zinc/57/81/21/476578121.db2.gz YOCBOQIJZLNFHV-UHFFFAOYSA-N 1 0 330.384 2.777 20 5 EFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361066821 476579063 /nfs/dbraw/zinc/57/90/63/476579063.db2.gz PVAHRXKBRAIUJV-DZGCQCFKSA-N 1 0 341.415 2.677 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361077872 476585796 /nfs/dbraw/zinc/58/57/96/476585796.db2.gz DFFLSKWATNQDNK-XZJROXQQSA-N 1 0 349.456 2.580 20 5 EFBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1cccnc1 ZINC000361089939 476593906 /nfs/dbraw/zinc/59/39/06/476593906.db2.gz ZBMQEHPYHNQYEJ-LBPRGKRZSA-N 1 0 342.355 2.639 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363248980 476625239 /nfs/dbraw/zinc/62/52/39/476625239.db2.gz PZLTWTLDZNJQIB-LBPRGKRZSA-N 1 0 338.795 2.950 20 5 EFBDRO C[C@@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000352326365 476637693 /nfs/dbraw/zinc/63/76/93/476637693.db2.gz GAOZTAOIZHQHRU-DOMZBBRYSA-N 1 0 345.399 2.595 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354417777 476650098 /nfs/dbraw/zinc/65/00/98/476650098.db2.gz DJSUDGSDYSHQBA-HUUCEWRRSA-N 1 0 348.447 2.728 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357860294 476655203 /nfs/dbraw/zinc/65/52/03/476655203.db2.gz OPXSDYQCVNTMBB-UHFFFAOYSA-N 1 0 343.383 2.947 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000365632631 476656373 /nfs/dbraw/zinc/65/63/73/476656373.db2.gz SWKYKGKIFCYFGM-LBPRGKRZSA-N 1 0 341.371 2.849 20 5 EFBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000365727147 476681386 /nfs/dbraw/zinc/68/13/86/476681386.db2.gz XLXPFIDGEPPWEO-INIZCTEOSA-N 1 0 344.415 2.755 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000378267586 476688373 /nfs/dbraw/zinc/68/83/73/476688373.db2.gz DIUYVLDECKKBDY-GFCCVEGCSA-N 1 0 329.385 2.903 20 5 EFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790868 476689534 /nfs/dbraw/zinc/68/95/34/476689534.db2.gz SDPFGDVRIUTXPY-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1sc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306532 476692171 /nfs/dbraw/zinc/69/21/71/476692171.db2.gz LEWLQCYBOISFOQ-KBPBESRZSA-N 1 0 345.424 2.792 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429831494 476700180 /nfs/dbraw/zinc/70/01/80/476700180.db2.gz PDPNEWHLDSISCB-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000413715457 476702883 /nfs/dbraw/zinc/70/28/83/476702883.db2.gz RNYKSEQQJLUXSQ-HNNXBMFYSA-N 1 0 349.431 2.985 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@H]2C[NH3+])c1 ZINC000422627408 476723426 /nfs/dbraw/zinc/72/34/26/476723426.db2.gz OJUXACRVQUYSBE-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422710816 476739173 /nfs/dbraw/zinc/73/91/73/476739173.db2.gz GDJALHZTVROAEM-SUMWQHHRSA-N 1 0 329.400 2.652 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422720396 476743227 /nfs/dbraw/zinc/74/32/27/476743227.db2.gz SKCVOQFXWFOYJQ-NSHDSACASA-N 1 0 330.388 2.616 20 5 EFBDRO [NH3+]C1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422773312 476769151 /nfs/dbraw/zinc/76/91/51/476769151.db2.gz YFBICXPPQZZJNR-UHFFFAOYSA-N 1 0 343.836 2.726 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000430208791 476782280 /nfs/dbraw/zinc/78/22/80/476782280.db2.gz PFXZRSALEMXNND-UHFFFAOYSA-N 1 0 349.431 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000445871464 476785959 /nfs/dbraw/zinc/78/59/59/476785959.db2.gz MBFUBWZGQKTJFJ-INIZCTEOSA-N 1 0 334.416 2.991 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000370392395 476788276 /nfs/dbraw/zinc/78/82/76/476788276.db2.gz YPBMBWXJZCXTGO-JSGCOSHPSA-N 1 0 328.372 2.540 20 5 EFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000445886507 476788873 /nfs/dbraw/zinc/78/88/73/476788873.db2.gz NZLIUBFUGIEWKA-NSHDSACASA-N 1 0 333.310 2.760 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 ZINC000422830492 476798977 /nfs/dbraw/zinc/79/89/77/476798977.db2.gz IJEGHUOPTFWWTQ-OAHLLOKOSA-N 1 0 342.399 2.780 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000375379041 476806182 /nfs/dbraw/zinc/80/61/82/476806182.db2.gz NTSUOESLIJBNKQ-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000422844942 476806267 /nfs/dbraw/zinc/80/62/67/476806267.db2.gz NFKLRYFMWCRIBK-VXGBXAGGSA-N 1 0 337.445 2.906 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000422844941 476806976 /nfs/dbraw/zinc/80/69/76/476806976.db2.gz NFKLRYFMWCRIBK-RYUDHWBXSA-N 1 0 337.445 2.906 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000422891726 476830651 /nfs/dbraw/zinc/83/06/51/476830651.db2.gz WGPKKKWAZYTTML-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422897938 476834368 /nfs/dbraw/zinc/83/43/68/476834368.db2.gz DAOQQNWMCVNINS-LLVKDONJSA-N 1 0 345.852 2.974 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422897939 476834410 /nfs/dbraw/zinc/83/44/10/476834410.db2.gz DAOQQNWMCVNINS-NSHDSACASA-N 1 0 345.852 2.974 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452125230 476842925 /nfs/dbraw/zinc/84/29/25/476842925.db2.gz XNVNZTXILGTYBS-HNNXBMFYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502287 476843402 /nfs/dbraw/zinc/84/34/02/476843402.db2.gz BYTXANIYKJQLEC-OAHLLOKOSA-N 1 0 341.367 2.564 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370504075 476845136 /nfs/dbraw/zinc/84/51/36/476845136.db2.gz CEWFTTCDJUFKSJ-GFCCVEGCSA-N 1 0 347.396 2.626 20 5 EFBDRO CSc1cccc(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457052159 476847036 /nfs/dbraw/zinc/84/70/36/476847036.db2.gz IPRUHWHNUQUEQK-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366071442 476847129 /nfs/dbraw/zinc/84/71/29/476847129.db2.gz FNYURUBBXNEHDS-KRWDZBQOSA-N 1 0 330.388 2.853 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000457058112 476849867 /nfs/dbraw/zinc/84/98/67/476849867.db2.gz VTLLMIWHMNUHAZ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000446274513 476853195 /nfs/dbraw/zinc/85/31/95/476853195.db2.gz GVVFQBJPOUAFGA-GOEBONIOSA-N 1 0 333.432 2.859 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457064165 476853357 /nfs/dbraw/zinc/85/33/57/476853357.db2.gz CFVPDBQASWJLKO-LBPRGKRZSA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000375472429 476856880 /nfs/dbraw/zinc/85/68/80/476856880.db2.gz NRKHTQUXZRNKEN-SJLPKXTDSA-N 1 0 333.432 2.636 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000457068547 476857089 /nfs/dbraw/zinc/85/70/89/476857089.db2.gz DKLXRDSDPXHGTN-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457071238 476858735 /nfs/dbraw/zinc/85/87/35/476858735.db2.gz HQQQCAGWLSILSP-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO COc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950158 476860305 /nfs/dbraw/zinc/86/03/05/476860305.db2.gz XFIPHKZQIBIENC-CJNGLKHVSA-N 1 0 329.400 2.652 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457084521 476865167 /nfs/dbraw/zinc/86/51/67/476865167.db2.gz LOEGUNPLJRSHMD-CYBMUJFWSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000446348000 476865197 /nfs/dbraw/zinc/86/51/97/476865197.db2.gz GUAZETMXQZFXTL-AWEZNQCLSA-N 1 0 339.823 2.969 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC[N@@H+]1C ZINC000446418207 476873898 /nfs/dbraw/zinc/87/38/98/476873898.db2.gz NLYZNPFGSDWCRO-SUMWQHHRSA-N 1 0 349.434 2.894 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457106030 476879804 /nfs/dbraw/zinc/87/98/04/476879804.db2.gz CTQDCYFLEKTQJL-LBPRGKRZSA-N 1 0 337.445 2.871 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000457114989 476885146 /nfs/dbraw/zinc/88/51/46/476885146.db2.gz KMMSCPIJFBRKGQ-CQSZACIVSA-N 1 0 331.372 2.896 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000457124375 476889246 /nfs/dbraw/zinc/88/92/46/476889246.db2.gz PSEZKAFIIPLIGR-KRWDZBQOSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000414958426 476901440 /nfs/dbraw/zinc/90/14/40/476901440.db2.gz CZRDIYFKBXHFTC-ZDUSSCGKSA-N 1 0 342.399 2.992 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000430814927 476921698 /nfs/dbraw/zinc/92/16/98/476921698.db2.gz KYJCQXSGQHCYPH-ZIAGYGMSSA-N 1 0 336.436 2.564 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000415416560 476922573 /nfs/dbraw/zinc/92/25/73/476922573.db2.gz KMXPIVOFFTUKKZ-UONOGXRCSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000415416561 476922824 /nfs/dbraw/zinc/92/28/24/476922824.db2.gz KMXPIVOFFTUKKZ-ZIAGYGMSSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000430833418 476923578 /nfs/dbraw/zinc/92/35/78/476923578.db2.gz OXRPHBUDGCFBTK-MRXNPFEDSA-N 1 0 349.431 2.519 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000405100883 476924708 /nfs/dbraw/zinc/92/47/08/476924708.db2.gz MMJCTYDSBQQHQD-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000452344515 476924804 /nfs/dbraw/zinc/92/48/04/476924804.db2.gz OFSVMYOZDWDHLI-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415429084 476924956 /nfs/dbraw/zinc/92/49/56/476924956.db2.gz ATEXJCALOSPEMP-RKDXNWHRSA-N 1 0 346.309 2.863 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000452343765 476925450 /nfs/dbraw/zinc/92/54/50/476925450.db2.gz YFWVLPVJZMVULJ-LBPRGKRZSA-N 1 0 325.434 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cccn4)cc3)nc2c1 ZINC000446849091 476927470 /nfs/dbraw/zinc/92/74/70/476927470.db2.gz LQDVKPFBJAPJPS-UHFFFAOYSA-N 1 0 348.366 2.947 20 5 EFBDRO COc1cccc(C[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446841534 476927510 /nfs/dbraw/zinc/92/75/10/476927510.db2.gz QTXVUBPGIFLTMG-NSHDSACASA-N 1 0 341.371 2.596 20 5 EFBDRO C[N@H+](CCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000457213762 476930442 /nfs/dbraw/zinc/93/04/42/476930442.db2.gz ZLRXLUMBZWYPEX-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]Cc2ccccc21 ZINC000430926228 476936674 /nfs/dbraw/zinc/93/66/74/476936674.db2.gz NANARVPYRKJOOF-CYBMUJFWSA-N 1 0 340.383 2.532 20 5 EFBDRO C[N@@H+]1CCCC12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC000408196258 476941941 /nfs/dbraw/zinc/94/19/41/476941941.db2.gz ZJLKXTHFAKDSFW-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415657255 476949251 /nfs/dbraw/zinc/94/92/51/476949251.db2.gz LXXKROPJKHZBIW-FZMZJTMJSA-N 1 0 336.392 2.727 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415661262 476950348 /nfs/dbraw/zinc/95/03/48/476950348.db2.gz QBHRPIPPFVRYGB-JHJVBQTASA-N 1 0 348.403 2.503 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415660192 476950378 /nfs/dbraw/zinc/95/03/78/476950378.db2.gz PHIVUMBJGNAHSR-CQSZACIVSA-N 1 0 336.392 2.503 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415665942 476951930 /nfs/dbraw/zinc/95/19/30/476951930.db2.gz WARVLCIRKAMYMT-UBHSHLNASA-N 1 0 348.403 2.585 20 5 EFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408420859 476951984 /nfs/dbraw/zinc/95/19/84/476951984.db2.gz AYEVQVAKPKUVCD-SFHVURJKSA-N 1 0 343.427 2.887 20 5 EFBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174637 476953287 /nfs/dbraw/zinc/95/32/87/476953287.db2.gz BNNNBHQPNRBEFZ-INIZCTEOSA-N 1 0 343.431 2.669 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(C3CC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000375700149 476960123 /nfs/dbraw/zinc/96/01/23/476960123.db2.gz DEYLAKZAIDIEFE-CYBMUJFWSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457359022 476987485 /nfs/dbraw/zinc/98/74/85/476987485.db2.gz POFZINHLGBBDEP-ZWNOBZJWSA-N 1 0 346.412 2.670 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000457370218 476992730 /nfs/dbraw/zinc/99/27/30/476992730.db2.gz IFWMTEBFUAQZPR-STQMWFEESA-N 1 0 349.456 2.777 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457370216 476992950 /nfs/dbraw/zinc/99/29/50/476992950.db2.gz IFWMTEBFUAQZPR-OLZOCXBDSA-N 1 0 349.456 2.777 20 5 EFBDRO CCC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000366434567 477006639 /nfs/dbraw/zinc/00/66/39/477006639.db2.gz UWYNYZXFLJLZBA-OAHLLOKOSA-N 1 0 347.415 2.853 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000375792834 477010464 /nfs/dbraw/zinc/01/04/64/477010464.db2.gz QZGLELVLYSCGDA-SUMWQHHRSA-N 1 0 347.415 2.520 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000375799272 477015465 /nfs/dbraw/zinc/01/54/65/477015465.db2.gz VIWJQBYNHDKIMA-MVHLYKQMSA-N 1 0 329.400 2.693 20 5 EFBDRO CCNc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416096641 477018319 /nfs/dbraw/zinc/01/83/19/477018319.db2.gz PUMDBIXBYBIRPL-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589466 477018750 /nfs/dbraw/zinc/01/87/50/477018750.db2.gz XVFZUDDZWJYBAD-RDTXWAMCSA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCN2C2CC2)n1 ZINC000447591441 477019381 /nfs/dbraw/zinc/01/93/81/477019381.db2.gz ICXRBCWQABBTNP-IXDOHACOSA-N 1 0 347.463 2.882 20 5 EFBDRO COc1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] ZINC000370891083 477022896 /nfs/dbraw/zinc/02/28/96/477022896.db2.gz HYUSDIGDMFJAKM-OAHLLOKOSA-N 1 0 347.415 2.580 20 5 EFBDRO COc1cccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416113481 477024108 /nfs/dbraw/zinc/02/41/08/477024108.db2.gz ZAOFBRQXFAHAPC-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000410592847 477025990 /nfs/dbraw/zinc/02/59/90/477025990.db2.gz QEPUWUUMYRREPY-GDBMZVCRSA-N 1 0 345.443 2.815 20 5 EFBDRO CC1(C)CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCO1 ZINC000370922353 477039523 /nfs/dbraw/zinc/03/95/23/477039523.db2.gz JCSNPLUFDQSUNM-UHFFFAOYSA-N 1 0 332.360 2.646 20 5 EFBDRO Cn1ccnc1[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423472396 477040701 /nfs/dbraw/zinc/04/07/01/477040701.db2.gz FVFHUVXNFSZWLB-NVXWUHKLSA-N 1 0 343.431 2.540 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000423468550 477041625 /nfs/dbraw/zinc/04/16/25/477041625.db2.gz BKHBMTSYXSMOOU-HOTGVXAUSA-N 1 0 329.404 2.955 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431576087 477055312 /nfs/dbraw/zinc/05/53/12/477055312.db2.gz SMGJAWFLGMDVPD-UKRRQHHQSA-N 1 0 349.431 2.519 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423550139 477070055 /nfs/dbraw/zinc/07/00/55/477070055.db2.gz FKTFLKCCEFOGNP-SOUVJXGZSA-N 1 0 331.416 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000370990407 477071746 /nfs/dbraw/zinc/07/17/46/477071746.db2.gz DAQJYZYGXQGUGS-KGLIPLIRSA-N 1 0 344.371 2.503 20 5 EFBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000431708658 477079282 /nfs/dbraw/zinc/07/92/82/477079282.db2.gz IQDXVXJEUAUSFT-DOTOQJQBSA-N 1 0 330.388 2.565 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000423604305 477080471 /nfs/dbraw/zinc/08/04/71/477080471.db2.gz FIUPZUBYLKNMJV-UHFFFAOYSA-N 1 0 347.415 2.599 20 5 EFBDRO C[NH+](C)[C@@H](CC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431728162 477083570 /nfs/dbraw/zinc/08/35/70/477083570.db2.gz NDQKOIXCIDSKSR-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423614760 477086983 /nfs/dbraw/zinc/08/69/83/477086983.db2.gz QOGYAQPQIZHSLN-CQSZACIVSA-N 1 0 335.404 2.502 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423614956 477087149 /nfs/dbraw/zinc/08/71/49/477087149.db2.gz QRJBSRXIOBWRAZ-VHSXEESVSA-N 1 0 343.836 2.549 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000366612336 477096587 /nfs/dbraw/zinc/09/65/87/477096587.db2.gz YTTAPDACHSYYFP-CZUORRHYSA-N 1 0 330.388 2.883 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452850644 477106991 /nfs/dbraw/zinc/10/69/91/477106991.db2.gz MQZPVKZNTFSXBM-RDJZCZTQSA-N 1 0 333.432 2.887 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000447980458 477108850 /nfs/dbraw/zinc/10/88/50/477108850.db2.gz XAUARRPTNGPOOE-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423685067 477109208 /nfs/dbraw/zinc/10/92/08/477109208.db2.gz IKTWYBYWBPPPJD-SMDDNHRTSA-N 1 0 335.429 2.531 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000423689429 477110248 /nfs/dbraw/zinc/11/02/48/477110248.db2.gz YFUGIVMMVUEIMY-GASCZTMLSA-N 1 0 331.416 2.592 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423691696 477110580 /nfs/dbraw/zinc/11/05/80/477110580.db2.gz PTAZMOIOERDHHG-LLVKDONJSA-N 1 0 341.386 2.678 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)s1 ZINC000447990197 477111467 /nfs/dbraw/zinc/11/14/67/477111467.db2.gz RDDVGRAFVFGCGZ-HOCLYGCPSA-N 1 0 348.424 2.953 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000431864714 477111393 /nfs/dbraw/zinc/11/13/93/477111393.db2.gz YBFOKMAARLOCFX-HNNXBMFYSA-N 1 0 349.431 2.519 20 5 EFBDRO CCNc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000411099391 477112436 /nfs/dbraw/zinc/11/24/36/477112436.db2.gz ZHIKVGIBSQGMGW-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000431933482 477122576 /nfs/dbraw/zinc/12/25/76/477122576.db2.gz CPDAACPLHZVRGW-DOTOQJQBSA-N 1 0 330.388 2.565 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000431964765 477129778 /nfs/dbraw/zinc/12/97/78/477129778.db2.gz OHHQEHYBDFWHOU-WMZOPIPTSA-N 1 0 344.415 2.607 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000453007972 477141362 /nfs/dbraw/zinc/14/13/62/477141362.db2.gz DFIYWWBTHCONIG-INIZCTEOSA-N 1 0 334.416 2.847 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205020 477143934 /nfs/dbraw/zinc/14/39/34/477143934.db2.gz QAJHBMLSJBNYRR-SJCJKPOMSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411185616 477144454 /nfs/dbraw/zinc/14/44/54/477144454.db2.gz HYUMLDOOMYIFSQ-DLBZAZTESA-N 1 0 331.416 2.691 20 5 EFBDRO Cc1c(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000423807307 477153843 /nfs/dbraw/zinc/15/38/43/477153843.db2.gz JLLCECSTHUCOPK-UHFFFAOYSA-N 1 0 339.395 2.521 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411270438 477177452 /nfs/dbraw/zinc/17/74/52/477177452.db2.gz JISNDRWTBFXERA-ZWKOTPCHSA-N 1 0 345.443 2.935 20 5 EFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000371212240 477179273 /nfs/dbraw/zinc/17/92/73/477179273.db2.gz IHOGQYHJUVHSKM-NSHDSACASA-N 1 0 347.396 2.626 20 5 EFBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423853522 477185762 /nfs/dbraw/zinc/18/57/62/477185762.db2.gz UYAFJBPDVFUCQX-VGPLMAKISA-N 1 0 337.807 2.785 20 5 EFBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432311871 477192226 /nfs/dbraw/zinc/19/22/26/477192226.db2.gz FECWOITYUYEDPD-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO CS[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432331675 477196823 /nfs/dbraw/zinc/19/68/23/477196823.db2.gz PIFSQGDPFOFLCF-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO CC(C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432329364 477196837 /nfs/dbraw/zinc/19/68/37/477196837.db2.gz OTOXIADGACVNCA-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c2cc([N+](=O)[O-])ccc21 ZINC000453331962 477207716 /nfs/dbraw/zinc/20/77/16/477207716.db2.gz HZCHDRKDEXECKF-DAYGRLMNSA-N 1 0 345.443 2.770 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411372200 477209030 /nfs/dbraw/zinc/20/90/30/477209030.db2.gz BNMFKKATJSOKRJ-GFCCVEGCSA-N 1 0 325.434 2.997 20 5 EFBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000432402159 477209591 /nfs/dbraw/zinc/20/95/91/477209591.db2.gz PGHXGYJFTORDLW-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453359725 477212955 /nfs/dbraw/zinc/21/29/55/477212955.db2.gz QFXXSZLINQEPHH-MELADBBJSA-N 1 0 332.408 2.842 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411385323 477212978 /nfs/dbraw/zinc/21/29/78/477212978.db2.gz JWQJLDFRJCGPQF-RRQGHBQHSA-N 1 0 331.416 2.689 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453360600 477214903 /nfs/dbraw/zinc/21/49/03/477214903.db2.gz KLOBWGPQAJAUPV-YNEHKIRRSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453384026 477220079 /nfs/dbraw/zinc/22/00/79/477220079.db2.gz TUAOSJGWACWYNS-KSSFIOAISA-N 1 0 347.415 2.814 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000423937608 477224639 /nfs/dbraw/zinc/22/46/39/477224639.db2.gz HHWCTRHTDPKOME-OAHLLOKOSA-N 1 0 343.383 2.596 20 5 EFBDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000457847715 477228922 /nfs/dbraw/zinc/22/89/22/477228922.db2.gz IWLVZIKCGDNWMY-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000457847716 477228945 /nfs/dbraw/zinc/22/89/45/477228945.db2.gz IWLVZIKCGDNWMY-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000457847717 477229172 /nfs/dbraw/zinc/22/91/72/477229172.db2.gz IWLVZIKCGDNWMY-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411431592 477232092 /nfs/dbraw/zinc/23/20/92/477232092.db2.gz UHBBJDQBSDPQNL-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411450320 477239135 /nfs/dbraw/zinc/23/91/35/477239135.db2.gz YANPJARFWIVWLB-QGZVFWFLSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000453575020 477240473 /nfs/dbraw/zinc/24/04/73/477240473.db2.gz KCBMNANHRODHIF-IRXDYDNUSA-N 1 0 338.411 2.916 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000423983293 477245661 /nfs/dbraw/zinc/24/56/61/477245661.db2.gz SSCJWCDKIKVITE-OAHLLOKOSA-N 1 0 343.383 2.596 20 5 EFBDRO CCc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423983114 477245779 /nfs/dbraw/zinc/24/57/79/477245779.db2.gz VJNRKUOCXWDQTA-DLBZAZTESA-N 1 0 339.395 2.643 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366900251 477247790 /nfs/dbraw/zinc/24/77/90/477247790.db2.gz FWRYMCVIYNPWSM-UHFFFAOYSA-N 1 0 333.432 2.911 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366906703 477249881 /nfs/dbraw/zinc/24/98/81/477249881.db2.gz YUIHGFUTSIFQPT-QWHCGFSZSA-N 1 0 348.403 2.742 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000371333731 477250645 /nfs/dbraw/zinc/25/06/45/477250645.db2.gz BLMYACGLPVOVDG-WMZOPIPTSA-N 1 0 344.415 2.725 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000371337965 477251840 /nfs/dbraw/zinc/25/18/40/477251840.db2.gz XNNGLSNCPRXWLW-SFHVURJKSA-N 1 0 346.475 2.504 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000453635369 477258299 /nfs/dbraw/zinc/25/82/99/477258299.db2.gz USDPLRAPXISLEK-MLGOLLRUSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C[NH3+] ZINC000424010810 477260214 /nfs/dbraw/zinc/26/02/14/477260214.db2.gz ISIWKWPLBDXWPI-CMPLNLGQSA-N 1 0 333.413 2.866 20 5 EFBDRO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424041878 477270373 /nfs/dbraw/zinc/27/03/73/477270373.db2.gz JOYQMUTWHWWMQY-UHFFFAOYSA-N 1 0 335.429 2.540 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424041247 477270549 /nfs/dbraw/zinc/27/05/49/477270549.db2.gz NIKLFCLHNUWNGU-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424049855 477272909 /nfs/dbraw/zinc/27/29/09/477272909.db2.gz ZSEGLXZFHRILAP-UHFFFAOYSA-N 1 0 331.825 2.584 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424084085 477286995 /nfs/dbraw/zinc/28/69/95/477286995.db2.gz XFGIZMNCTUGLOJ-AWEZNQCLSA-N 1 0 325.368 2.742 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411635786 477303124 /nfs/dbraw/zinc/30/31/24/477303124.db2.gz DNZAZKQRLZPELC-QGZVFWFLSA-N 1 0 335.404 2.550 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000458181804 477308149 /nfs/dbraw/zinc/30/81/49/477308149.db2.gz ZZHPWXSDNUOOJH-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164193 477311970 /nfs/dbraw/zinc/31/19/70/477311970.db2.gz ZOHAVIZUZDTUCT-PBHICJAKSA-N 1 0 334.416 2.694 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458189008 477312227 /nfs/dbraw/zinc/31/22/27/477312227.db2.gz MSHDJSIXHWSSDN-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454650816 477312398 /nfs/dbraw/zinc/31/23/98/477312398.db2.gz UVSAGJFRXGZJIJ-GOEBONIOSA-N 1 0 348.447 2.824 20 5 EFBDRO CC(=O)c1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376393380 477313031 /nfs/dbraw/zinc/31/30/31/477313031.db2.gz ARTAHHBYWZMPPV-OAHLLOKOSA-N 1 0 331.416 2.966 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000458203941 477317614 /nfs/dbraw/zinc/31/76/14/477317614.db2.gz QAJWBYIEPRKXKL-UHFFFAOYSA-N 1 0 339.442 2.922 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)CCc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424236800 477338006 /nfs/dbraw/zinc/33/80/06/477338006.db2.gz LRDKEOPRXFJHQX-AWEZNQCLSA-N 1 0 331.416 2.518 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411736215 477348660 /nfs/dbraw/zinc/34/86/60/477348660.db2.gz LYSXNSSGLUBMON-JCGIZDLHSA-N 1 0 345.443 2.935 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000411735844 477349115 /nfs/dbraw/zinc/34/91/15/477349115.db2.gz KPCKCLJPIGOQGT-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000458331173 477355681 /nfs/dbraw/zinc/35/56/81/477355681.db2.gz ZNZOQMYVZXRZQP-UHFFFAOYSA-N 1 0 337.307 2.520 20 5 EFBDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517738 477379120 /nfs/dbraw/zinc/37/91/20/477379120.db2.gz BNZPLCIEQBHFSU-IAGOWNOFSA-N 1 0 344.415 2.902 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376520587 477379893 /nfs/dbraw/zinc/37/98/93/477379893.db2.gz OKBATUMKNCYBMV-MLGOLLRUSA-N 1 0 330.388 2.512 20 5 EFBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000411875785 477394976 /nfs/dbraw/zinc/39/49/76/477394976.db2.gz ANLIPKSAJOPHBJ-JTQLQIEISA-N 1 0 348.384 2.700 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000367218972 477399628 /nfs/dbraw/zinc/39/96/28/477399628.db2.gz LGLLBURONFXHNT-KGLIPLIRSA-N 1 0 347.415 2.692 20 5 EFBDRO Cc1c(CNC(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000454850482 477404364 /nfs/dbraw/zinc/40/43/64/477404364.db2.gz GPVBQHHJHRTEGL-UHFFFAOYSA-N 1 0 348.447 2.969 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCCC2 ZINC000449058491 477415674 /nfs/dbraw/zinc/41/56/74/477415674.db2.gz JQWGSFNSZCHDEN-ZDUSSCGKSA-N 1 0 329.404 2.634 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000436094551 477419320 /nfs/dbraw/zinc/41/93/20/477419320.db2.gz UMMGJIVZPYHKCX-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000449067258 477420346 /nfs/dbraw/zinc/42/03/46/477420346.db2.gz JVHQXJVKMSNPGA-OLZOCXBDSA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449073592 477421614 /nfs/dbraw/zinc/42/16/14/477421614.db2.gz SGUCXVLUDYKHCH-OAGGEKHMSA-N 1 0 335.448 2.615 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000412414335 477424974 /nfs/dbraw/zinc/42/49/74/477424974.db2.gz BSDYYIODOSCPKX-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO COCCOc1ncccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082177 477427439 /nfs/dbraw/zinc/42/74/39/477427439.db2.gz LFUHFCHRWOAJDS-CQSZACIVSA-N 1 0 345.399 2.736 20 5 EFBDRO COCCOc1ncccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082176 477427665 /nfs/dbraw/zinc/42/76/65/477427665.db2.gz LFUHFCHRWOAJDS-AWEZNQCLSA-N 1 0 345.399 2.736 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000449089276 477433547 /nfs/dbraw/zinc/43/35/47/477433547.db2.gz JROGJUFDECEBHZ-OLZOCXBDSA-N 1 0 345.365 3.000 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000449090563 477433925 /nfs/dbraw/zinc/43/39/25/477433925.db2.gz GZQXOAMDGZCQGC-WBVHZDCISA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1cccs1 ZINC000449091658 477435151 /nfs/dbraw/zinc/43/51/51/477435151.db2.gz QYWVLDAUGVHMAE-LBPRGKRZSA-N 1 0 333.413 2.607 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NCc1ccccc1 ZINC000449109740 477444181 /nfs/dbraw/zinc/44/41/81/477444181.db2.gz XYZDSSURNQAWMV-OAHLLOKOSA-N 1 0 341.411 2.822 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000449192242 477478868 /nfs/dbraw/zinc/47/88/68/477478868.db2.gz TYJFTGQUXDSZNF-UMSPYCQHSA-N 1 0 330.331 2.837 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202840 477484103 /nfs/dbraw/zinc/48/41/03/477484103.db2.gz KKRZZMMSOIPZCI-CHWSQXEVSA-N 1 0 343.383 2.803 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455110327 477504341 /nfs/dbraw/zinc/50/43/41/477504341.db2.gz WOVOJADEFNBJGZ-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449267087 477514895 /nfs/dbraw/zinc/51/48/95/477514895.db2.gz YHIRSWTYMIBVOZ-FDQGKXFDSA-N 1 0 336.432 2.682 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000449265541 477515246 /nfs/dbraw/zinc/51/52/46/477515246.db2.gz SBRUFKKRENKZSX-QIIPPGSGSA-N 1 0 344.415 2.769 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449267089 477515687 /nfs/dbraw/zinc/51/56/87/477515687.db2.gz YHIRSWTYMIBVOZ-QBIMZIAESA-N 1 0 336.432 2.682 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376824831 477519345 /nfs/dbraw/zinc/51/93/45/477519345.db2.gz YCWTYVYHWDYUAB-GJZGRUSLSA-N 1 0 331.416 2.877 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000455169515 477528948 /nfs/dbraw/zinc/52/89/48/477528948.db2.gz MLGDHZLGWLVBML-ZDUSSCGKSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455176584 477531905 /nfs/dbraw/zinc/53/19/05/477531905.db2.gz XXEPPNAJZLBGKY-UHFFFAOYSA-N 1 0 338.408 2.845 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000449320562 477545141 /nfs/dbraw/zinc/54/51/41/477545141.db2.gz OLYWDIGNUOWNFC-SUYBPPKGSA-N 1 0 333.432 2.809 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000449331076 477548851 /nfs/dbraw/zinc/54/88/51/477548851.db2.gz XCMVSLYFDNWAEN-RNJTYBCJSA-N 1 0 345.443 2.762 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000458690473 477549051 /nfs/dbraw/zinc/54/90/51/477549051.db2.gz LASWFTBDAZFCKR-CYBMUJFWSA-N 1 0 334.420 2.529 20 5 EFBDRO Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000458693618 477550347 /nfs/dbraw/zinc/55/03/47/477550347.db2.gz NXRLLQIAUSEOFY-HNNXBMFYSA-N 1 0 334.420 2.527 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413170159 477552194 /nfs/dbraw/zinc/55/21/94/477552194.db2.gz NIEAYONIDNHLCA-SNVBAGLBSA-N 1 0 332.326 2.787 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371910133 477553757 /nfs/dbraw/zinc/55/37/57/477553757.db2.gz DNXPAEBAPCXIBF-KBPBESRZSA-N 1 0 332.404 2.960 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000449350112 477557998 /nfs/dbraw/zinc/55/79/98/477557998.db2.gz YXVIJTNGEUBZHI-AWEZNQCLSA-N 1 0 333.432 2.910 20 5 EFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449597118 477568230 /nfs/dbraw/zinc/56/82/30/477568230.db2.gz CZXOYGSRRHAQET-HNNXBMFYSA-N 1 0 342.399 2.674 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449750961 477572554 /nfs/dbraw/zinc/57/25/54/477572554.db2.gz KJYZTYNCOYERKG-CYBMUJFWSA-N 1 0 346.412 2.589 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000577 477591120 /nfs/dbraw/zinc/59/11/20/477591120.db2.gz IMLQCKRJLMKOBN-LSDHHAIUSA-N 1 0 341.367 2.534 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000367599972 477591976 /nfs/dbraw/zinc/59/19/76/477591976.db2.gz YQHAHIDMBVGHHE-CGTJXYLNSA-N 1 0 344.415 2.732 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413258181 477593623 /nfs/dbraw/zinc/59/36/23/477593623.db2.gz DWAIUNQUPDVUKR-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372009132 477598384 /nfs/dbraw/zinc/59/83/84/477598384.db2.gz IPIAOVKDDYOYIL-SJLPKXTDSA-N 1 0 345.443 2.860 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000450481234 477601877 /nfs/dbraw/zinc/60/18/77/477601877.db2.gz DKKWTPOEUWEDDR-HNNXBMFYSA-N 1 0 347.415 2.739 20 5 EFBDRO CCc1cc(N2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420124949 477626483 /nfs/dbraw/zinc/62/64/83/477626483.db2.gz SLNUQIKNWNWWDI-ZDUSSCGKSA-N 1 0 327.388 2.542 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413328606 477630698 /nfs/dbraw/zinc/63/06/98/477630698.db2.gz PFZASRPXADBPRF-DLBZAZTESA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420201804 477634617 /nfs/dbraw/zinc/63/46/17/477634617.db2.gz NLTGGWJQNCGOOA-GFCCVEGCSA-N 1 0 332.429 2.942 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420238214 477645807 /nfs/dbraw/zinc/64/58/07/477645807.db2.gz GZMJLMXLZBVQFP-INIZCTEOSA-N 1 0 346.431 2.677 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894600 477646041 /nfs/dbraw/zinc/64/60/41/477646041.db2.gz ZWGOJVCIPXTYQU-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1cc(N2CCC[C@H](CC[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245637 477647540 /nfs/dbraw/zinc/64/75/40/477647540.db2.gz RDCQQXQAFZTVOX-CQSZACIVSA-N 1 0 341.415 2.925 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420242900 477647674 /nfs/dbraw/zinc/64/76/74/477647674.db2.gz NMFRKBIYYVKXKO-OAHLLOKOSA-N 1 0 332.404 2.670 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450599743 477647968 /nfs/dbraw/zinc/64/79/68/477647968.db2.gz TYTAIAMONFUAHO-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)n1 ZINC000367723838 477656831 /nfs/dbraw/zinc/65/68/31/477656831.db2.gz NFPUXLFORCXJCP-KRWDZBQOSA-N 1 0 330.388 2.549 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420275309 477657634 /nfs/dbraw/zinc/65/76/34/477657634.db2.gz GSFFVXKBCVBMEU-RYUDHWBXSA-N 1 0 330.388 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)cc1C(F)(F)F ZINC000450621881 477657800 /nfs/dbraw/zinc/65/78/00/477657800.db2.gz XZHONTROAISSDO-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734352 477662595 /nfs/dbraw/zinc/66/25/95/477662595.db2.gz OFVYQOFHVWKTFK-ZDUSSCGKSA-N 1 0 338.839 2.829 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000420288287 477665095 /nfs/dbraw/zinc/66/50/95/477665095.db2.gz RYOMMJWCEQJRHW-WCBMZHEXSA-N 1 0 329.198 2.682 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000372156362 477666606 /nfs/dbraw/zinc/66/66/06/477666606.db2.gz JYQNSVBJGVUQHU-KBPBESRZSA-N 1 0 344.371 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000372156363 477666794 /nfs/dbraw/zinc/66/67/94/477666794.db2.gz JYQNSVBJGVUQHU-KGLIPLIRSA-N 1 0 344.371 2.503 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372156233 477667250 /nfs/dbraw/zinc/66/72/50/477667250.db2.gz NLWHHWIULSKTRU-CABCVRRESA-N 1 0 347.415 2.590 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000420293023 477667569 /nfs/dbraw/zinc/66/75/69/477667569.db2.gz XGXZCDXLUQGJFW-UONOGXRCSA-N 1 0 346.431 2.760 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413431943 477676243 /nfs/dbraw/zinc/67/62/43/477676243.db2.gz BLDVJNXFAGHQTP-IXDOHACOSA-N 1 0 333.432 2.791 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413431944 477676808 /nfs/dbraw/zinc/67/68/08/477676808.db2.gz BLDVJNXFAGHQTP-YESZJQIVSA-N 1 0 333.432 2.791 20 5 EFBDRO O=C(CCN1CC[NH2+]CC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420320896 477690412 /nfs/dbraw/zinc/69/04/12/477690412.db2.gz QRWNRLNGGSFNJG-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)s2)cc1 ZINC000367839963 477713196 /nfs/dbraw/zinc/71/31/96/477713196.db2.gz OJAKHKXKZHUEME-ZSHCYNCHSA-N 1 0 330.409 2.993 20 5 EFBDRO Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000372248613 477713276 /nfs/dbraw/zinc/71/32/76/477713276.db2.gz ITKOKPBEHPRJJG-LLVKDONJSA-N 1 0 332.335 2.546 20 5 EFBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450805122 477723948 /nfs/dbraw/zinc/72/39/48/477723948.db2.gz CKXKQCXDWCQMIT-OAHLLOKOSA-N 1 0 326.400 2.948 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420372240 477731099 /nfs/dbraw/zinc/73/10/99/477731099.db2.gz QDFPLFVTGHUUIU-INIZCTEOSA-N 1 0 348.447 2.729 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437642651 477733928 /nfs/dbraw/zinc/73/39/28/477733928.db2.gz SFCBASONEWNOPI-ROUUACIJSA-N 1 0 346.431 2.702 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000420398048 477747470 /nfs/dbraw/zinc/74/74/70/477747470.db2.gz YGEKLINOIOLUTR-ZWKOTPCHSA-N 1 0 345.374 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000420410828 477754223 /nfs/dbraw/zinc/75/42/23/477754223.db2.gz RMOOPQMTNVCCRT-SFHVURJKSA-N 1 0 327.384 2.620 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413621532 477754595 /nfs/dbraw/zinc/75/45/95/477754595.db2.gz CNQWRHZPJLWQAG-DZJNRPSUSA-N 1 0 343.427 2.641 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426961511 477762565 /nfs/dbraw/zinc/76/25/65/477762565.db2.gz ALYINBIKKQYVPS-OAHLLOKOSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000450950418 477772876 /nfs/dbraw/zinc/77/28/76/477772876.db2.gz MQTNDNKRHYRGIE-UHFFFAOYSA-N 1 0 347.341 2.546 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000372381712 477780226 /nfs/dbraw/zinc/78/02/26/477780226.db2.gz XZGQECLCALFYDH-VXGBXAGGSA-N 1 0 335.429 2.673 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000372381710 477780806 /nfs/dbraw/zinc/78/08/06/477780806.db2.gz XZGQECLCALFYDH-NWDGAFQWSA-N 1 0 335.429 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000427858042 477782184 /nfs/dbraw/zinc/78/21/84/477782184.db2.gz RYPWPFXFUUQQIF-CVEARBPZSA-N 1 0 326.400 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000427858044 477782429 /nfs/dbraw/zinc/78/24/29/477782429.db2.gz RYPWPFXFUUQQIF-HOTGVXAUSA-N 1 0 326.400 2.717 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372500055 477800180 /nfs/dbraw/zinc/80/01/80/477800180.db2.gz CUMTXCDOSWLHHT-UHFFFAOYSA-N 1 0 331.416 2.520 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000456203144 477817866 /nfs/dbraw/zinc/81/78/66/477817866.db2.gz VTEICSUDSISGKB-UHFFFAOYSA-N 1 0 349.431 2.794 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109686 477829160 /nfs/dbraw/zinc/82/91/60/477829160.db2.gz YFBKEJBWDGXYBG-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456254314 477839593 /nfs/dbraw/zinc/83/95/93/477839593.db2.gz BNYHJDLAOAGSMO-AWEZNQCLSA-N 1 0 343.387 2.682 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459324522 477843165 /nfs/dbraw/zinc/84/31/65/477843165.db2.gz VLEKETXTCXLVEH-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO Cn1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456266084 477843823 /nfs/dbraw/zinc/84/38/23/477843823.db2.gz HTVYLHMKKUQJJA-CQSZACIVSA-N 1 0 328.372 2.735 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](Cc2ccccc2)C1 ZINC000456302872 477855428 /nfs/dbraw/zinc/85/54/28/477855428.db2.gz JBMOJSWCHIZDCK-AWEZNQCLSA-N 1 0 343.383 2.782 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420961075 477859256 /nfs/dbraw/zinc/85/92/56/477859256.db2.gz HWYRSOSEZVCKNG-JKSUJKDBSA-N 1 0 334.416 2.847 20 5 EFBDRO CNc1c(C(=O)Nc2ccccc2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000438556881 477863508 /nfs/dbraw/zinc/86/35/08/477863508.db2.gz YAONMARQJXJFKQ-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000558411622 477864002 /nfs/dbraw/zinc/86/40/02/477864002.db2.gz JWQHBSUVKJUHAU-AEDISCFBSA-N 1 0 345.443 2.793 20 5 EFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438579284 477868466 /nfs/dbraw/zinc/86/84/66/477868466.db2.gz JNUZIMMMVPBMLQ-QGZVFWFLSA-N 1 0 346.431 2.530 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420999412 477888926 /nfs/dbraw/zinc/88/89/26/477888926.db2.gz UUKKYRWYIASXIU-CQSZACIVSA-N 1 0 337.326 2.743 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000438846700 477892752 /nfs/dbraw/zinc/89/27/52/477892752.db2.gz BXYQFNZBTNASSQ-QGZVFWFLSA-N 1 0 348.447 2.905 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421013890 477901552 /nfs/dbraw/zinc/90/15/52/477901552.db2.gz JPIOGORMABHHPH-HUUCEWRRSA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462430997 477902813 /nfs/dbraw/zinc/90/28/13/477902813.db2.gz VZUTYLVMMMDVTE-UHFFFAOYSA-N 1 0 344.415 2.743 20 5 EFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@@H+]1C ZINC000421016044 477904973 /nfs/dbraw/zinc/90/49/73/477904973.db2.gz XRNNCQSDEAIXQH-INIZCTEOSA-N 1 0 344.415 2.818 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000462621438 477911627 /nfs/dbraw/zinc/91/16/27/477911627.db2.gz HUJLLIGGTLTXSG-INIZCTEOSA-N 1 0 335.448 2.964 20 5 EFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451258836 477914478 /nfs/dbraw/zinc/91/44/78/477914478.db2.gz RXHSQAMAPZUCKT-GOEBONIOSA-N 1 0 345.399 2.885 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428533360 477921842 /nfs/dbraw/zinc/92/18/42/477921842.db2.gz GXDSZEFHRFVDDF-AEFFLSMTSA-N 1 0 330.359 2.990 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000462878813 477922556 /nfs/dbraw/zinc/92/25/56/477922556.db2.gz UKRYQZUTDBBDIH-GMMCIKNFSA-N 1 0 326.343 2.948 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451296860 477938018 /nfs/dbraw/zinc/93/80/18/477938018.db2.gz BNBVFVNVKHRVCW-HSMVNMDESA-N 1 0 340.807 2.610 20 5 EFBDRO CCOc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1O ZINC000459528103 477954948 /nfs/dbraw/zinc/95/49/48/477954948.db2.gz WZFBZZFSDQOARN-UHFFFAOYSA-N 1 0 346.387 2.733 20 5 EFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464824273 477961789 /nfs/dbraw/zinc/96/17/89/477961789.db2.gz UOGHIUOEDGGKCA-CRAIPNDOSA-N 1 0 349.431 2.977 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000428695403 477962553 /nfs/dbraw/zinc/96/25/53/477962553.db2.gz VULALPMSVVKWJL-CYBMUJFWSA-N 1 0 331.376 2.565 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000456524727 477965578 /nfs/dbraw/zinc/96/55/78/477965578.db2.gz GNDWQBKBFNCJJR-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(CF)CC1 ZINC000451397020 477991443 /nfs/dbraw/zinc/99/14/43/477991443.db2.gz UEGHKKLBPQUUIU-UHFFFAOYSA-N 1 0 337.351 2.574 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451409227 477997923 /nfs/dbraw/zinc/99/79/23/477997923.db2.gz AAWPRDRNTRJGHV-SMKXDYDZSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451409220 477998248 /nfs/dbraw/zinc/99/82/48/477998248.db2.gz AAWPRDRNTRJGHV-CXUGXGMPSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414596 478002074 /nfs/dbraw/zinc/00/20/74/478002074.db2.gz IJYVDDWMIZOPEI-VJUNAUMWSA-N 1 0 347.415 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451420212 478006912 /nfs/dbraw/zinc/00/69/12/478006912.db2.gz NAQWKWBBYSNDGR-APHBMKBZSA-N 1 0 330.388 2.597 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000439686614 478015182 /nfs/dbraw/zinc/01/51/82/478015182.db2.gz ZLGZPMCQEWXEPI-MRXNPFEDSA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000560076597 478017960 /nfs/dbraw/zinc/01/79/60/478017960.db2.gz RNHQGBKHGHSLRA-AWEZNQCLSA-N 1 0 338.411 2.975 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000560097536 478018869 /nfs/dbraw/zinc/01/88/69/478018869.db2.gz WCGVJNXFNDAEII-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000494657235 478035670 /nfs/dbraw/zinc/03/56/70/478035670.db2.gz YXNFBVVWGCLWJZ-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451474533 478036109 /nfs/dbraw/zinc/03/61/09/478036109.db2.gz APSGHPUYRSTOAL-XKQJLSEDSA-N 1 0 347.415 2.635 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451476053 478038521 /nfs/dbraw/zinc/03/85/21/478038521.db2.gz DSBKYJBLBSTTOD-HZPDHXFCSA-N 1 0 347.415 2.861 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000451478615 478040263 /nfs/dbraw/zinc/04/02/63/478040263.db2.gz JXOPERBCNJTFFV-CABCVRRESA-N 1 0 347.415 2.779 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429019945 478040740 /nfs/dbraw/zinc/04/07/40/478040740.db2.gz KNYIMBQHIQUSNC-JJRVBVJISA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429021727 478040748 /nfs/dbraw/zinc/04/07/48/478040748.db2.gz ROJLPTPCKPALKZ-RKVPGOIHSA-N 1 0 333.432 2.636 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451483475 478042962 /nfs/dbraw/zinc/04/29/62/478042962.db2.gz FGXDDPWQKZVRAU-PBHICJAKSA-N 1 0 335.404 2.635 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)nc1 ZINC000517062718 478044624 /nfs/dbraw/zinc/04/46/24/478044624.db2.gz UCFNWNJPQHRNIF-QGZVFWFLSA-N 1 0 338.411 2.891 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421349603 478046829 /nfs/dbraw/zinc/04/68/29/478046829.db2.gz IROOLAAZGKNUOE-IIAWOOMASA-N 1 0 333.432 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000439903364 478046761 /nfs/dbraw/zinc/04/67/61/478046761.db2.gz PSMMPTUXJZRZKJ-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO NC(=O)CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000421349813 478046974 /nfs/dbraw/zinc/04/69/74/478046974.db2.gz JOLGXHMIDCTCTG-UHFFFAOYSA-N 1 0 329.356 2.600 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000421351944 478047597 /nfs/dbraw/zinc/04/75/97/478047597.db2.gz NGRCQZPXKHAOKJ-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451490337 478047687 /nfs/dbraw/zinc/04/76/87/478047687.db2.gz HVCVQWHDHKCHEX-HUUCEWRRSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490345 478048624 /nfs/dbraw/zinc/04/86/24/478048624.db2.gz HVDJVAWCDUVGAE-STQMWFEESA-N 1 0 332.360 2.548 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451506878 478057688 /nfs/dbraw/zinc/05/76/88/478057688.db2.gz WJBJVHSXKUPGIF-AMFBXLIHSA-N 1 0 326.368 2.892 20 5 EFBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560392887 478065617 /nfs/dbraw/zinc/06/56/17/478065617.db2.gz CKYDJRRXHNIMPJ-QAPCUYQASA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000429139960 478067081 /nfs/dbraw/zinc/06/70/81/478067081.db2.gz WZGQBVQLXAAMAN-MFKMUULPSA-N 1 0 346.412 2.528 20 5 EFBDRO CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451539341 478073311 /nfs/dbraw/zinc/07/33/11/478073311.db2.gz KARXKNFMDJRKSG-XJKCOSOUSA-N 1 0 335.404 2.669 20 5 EFBDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000533390647 478074096 /nfs/dbraw/zinc/07/40/96/478074096.db2.gz NACPIRDZYXOLPY-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451541038 478075276 /nfs/dbraw/zinc/07/52/76/478075276.db2.gz LFUSWBDUCXNENV-GUYCJALGSA-N 1 0 349.431 2.979 20 5 EFBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000459756336 478075550 /nfs/dbraw/zinc/07/55/50/478075550.db2.gz OCGFPZZQMSQRCL-DZGCQCFKSA-N 1 0 334.397 2.827 20 5 EFBDRO CON1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000421404182 478076240 /nfs/dbraw/zinc/07/62/40/478076240.db2.gz YFNHQPBZYVHMBG-UHFFFAOYSA-N 1 0 331.372 2.970 20 5 EFBDRO O=C1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1 ZINC000451546727 478083419 /nfs/dbraw/zinc/08/34/19/478083419.db2.gz JMVPXSVVKWPWKZ-GDBMZVCRSA-N 1 0 331.416 2.691 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000459769022 478083666 /nfs/dbraw/zinc/08/36/66/478083666.db2.gz YVKTUYFRTKXXEP-CQSZACIVSA-N 1 0 334.347 2.608 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451550040 478084334 /nfs/dbraw/zinc/08/43/34/478084334.db2.gz WJFBMAMWMKOZFG-CJNGLKHVSA-N 1 0 338.404 2.729 20 5 EFBDRO CO[C@@H]1C[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000459772238 478084731 /nfs/dbraw/zinc/08/47/31/478084731.db2.gz SEZKKUSMDLQNMQ-ZIAGYGMSSA-N 1 0 344.371 2.692 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459777442 478087076 /nfs/dbraw/zinc/08/70/76/478087076.db2.gz VWTQVCNEXVPCTO-UHOFOFEASA-N 1 0 347.415 2.777 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451555541 478092310 /nfs/dbraw/zinc/09/23/10/478092310.db2.gz BYKHEBXXJRBGII-LRDDRELGSA-N 1 0 335.404 2.589 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459796243 478096810 /nfs/dbraw/zinc/09/68/10/478096810.db2.gz PXMUDPPVCXHPJM-DLBZAZTESA-N 1 0 334.416 2.976 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459794695 478097713 /nfs/dbraw/zinc/09/77/13/478097713.db2.gz WUULNVJUDDGKQL-UZGDPCLZSA-N 1 0 333.388 2.709 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459796382 478097781 /nfs/dbraw/zinc/09/77/81/478097781.db2.gz YMOSVCLUTPCVQJ-XCCSTKFXSA-N 1 0 333.388 2.709 20 5 EFBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560509097 478100206 /nfs/dbraw/zinc/10/02/06/478100206.db2.gz JVSHYXZZLYLYSK-XJKSGUPXSA-N 1 0 348.374 2.694 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487988001 478100986 /nfs/dbraw/zinc/10/09/86/478100986.db2.gz MCEYKELPAGJKIH-ZFWWWQNUSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459807320 478104693 /nfs/dbraw/zinc/10/46/93/478104693.db2.gz QZTVHDMLKVEUTH-DLBZAZTESA-N 1 0 334.416 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488005253 478105311 /nfs/dbraw/zinc/10/53/11/478105311.db2.gz CKYDDCHDMRUWPF-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429350859 478119255 /nfs/dbraw/zinc/11/92/55/478119255.db2.gz DAACXQCKJGJMTM-CQSZACIVSA-N 1 0 333.432 2.910 20 5 EFBDRO COc1ccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497921 478125377 /nfs/dbraw/zinc/12/53/77/478125377.db2.gz WSTGJLRQCOYWLC-OAHLLOKOSA-N 1 0 342.399 2.727 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429390220 478127446 /nfs/dbraw/zinc/12/74/46/478127446.db2.gz YGZPMXZXLYKYOP-CQSZACIVSA-N 1 0 333.432 2.910 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534223573 478130646 /nfs/dbraw/zinc/13/06/46/478130646.db2.gz MRLOZCJBNLFVEE-GFCCVEGCSA-N 1 0 330.388 2.536 20 5 EFBDRO CCC1CCC([N@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000488241374 478133716 /nfs/dbraw/zinc/13/37/16/478133716.db2.gz DSBZAMSLIJJIOR-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451632207 478133926 /nfs/dbraw/zinc/13/39/26/478133926.db2.gz NNRLYNGFLXPBPI-ZLKJLUDKSA-N 1 0 332.360 2.863 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000534279542 478134724 /nfs/dbraw/zinc/13/47/24/478134724.db2.gz SBMWDARZBZQNRF-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534286114 478136263 /nfs/dbraw/zinc/13/62/63/478136263.db2.gz DYOICRGLNISJGY-ZDUSSCGKSA-N 1 0 342.399 2.603 20 5 EFBDRO CCOc1cc(C[N@H+](C)CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000429531836 478147913 /nfs/dbraw/zinc/14/79/13/478147913.db2.gz WUIBDBVQDDOVPE-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488567844 478162030 /nfs/dbraw/zinc/16/20/30/478162030.db2.gz ACYXYMLRJARLKQ-ZDUSSCGKSA-N 1 0 336.436 2.859 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440822383 478166390 /nfs/dbraw/zinc/16/63/90/478166390.db2.gz TWNSNHVJBUXHLK-IBGZPJMESA-N 1 0 342.395 2.787 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716349 478173639 /nfs/dbraw/zinc/17/36/39/478173639.db2.gz BTZMEGBHBKHMSU-YRGRVCCFSA-N 1 0 337.395 2.909 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000488723812 478174825 /nfs/dbraw/zinc/17/48/25/478174825.db2.gz XLEWUCWNBKDUHE-OZVIIMIRSA-N 1 0 329.404 2.638 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000488723807 478174849 /nfs/dbraw/zinc/17/48/49/478174849.db2.gz XLEWUCWNBKDUHE-MQIPJXDCSA-N 1 0 329.404 2.638 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOc3ccccc3)CC2)n1 ZINC000488738901 478177285 /nfs/dbraw/zinc/17/72/85/478177285.db2.gz VEHCIJZDPRKOBZ-UHFFFAOYSA-N 1 0 330.388 2.897 20 5 EFBDRO CC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488750667 478178468 /nfs/dbraw/zinc/17/84/68/478178468.db2.gz OGPRWAMBIYHINH-FHSNZYRGSA-N 1 0 331.416 2.964 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488763652 478180827 /nfs/dbraw/zinc/18/08/27/478180827.db2.gz JSXKSTKVZSRSFZ-HEHGZKQESA-N 1 0 347.415 2.548 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451733540 478183362 /nfs/dbraw/zinc/18/33/62/478183362.db2.gz VIGBOMIXBGOEBA-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000518735666 478187530 /nfs/dbraw/zinc/18/75/30/478187530.db2.gz SZOIOOMBOJBLEP-AWEZNQCLSA-N 1 0 346.431 2.831 20 5 EFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762830 478187833 /nfs/dbraw/zinc/18/78/33/478187833.db2.gz QUCVIPBHKHDHGF-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000561493235 478189442 /nfs/dbraw/zinc/18/94/42/478189442.db2.gz WLAPXKUHGYUUTE-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770521 478189625 /nfs/dbraw/zinc/18/96/25/478189625.db2.gz GFQAECFULSHXRN-JSGCOSHPSA-N 1 0 346.387 2.628 20 5 EFBDRO CCOc1cc(CN2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762203 478193389 /nfs/dbraw/zinc/19/33/89/478193389.db2.gz WFGOVEWAYHTBKJ-QHCPKHFHSA-N 1 0 340.445 2.727 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000495545038 478224781 /nfs/dbraw/zinc/22/47/81/478224781.db2.gz XMUDEXLTTBHNGK-UKRRQHHQSA-N 1 0 335.404 2.594 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489352276 478235948 /nfs/dbraw/zinc/23/59/48/478235948.db2.gz PEFQFMCBIMSKFU-BLLLJJGKSA-N 1 0 337.395 2.636 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000489540612 478255310 /nfs/dbraw/zinc/25/53/10/478255310.db2.gz IUUKYEJTRSRTQU-TZMCWYRMSA-N 1 0 332.404 2.500 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000590643884 478274004 /nfs/dbraw/zinc/27/40/04/478274004.db2.gz DEDJXKBKXSSSKR-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2c(c1)COCO2 ZINC000579350058 478276548 /nfs/dbraw/zinc/27/65/48/478276548.db2.gz YQKFKZOIJWOCTI-DYVFJYSZSA-N 1 0 348.399 2.852 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCC1(F)F)OCCO2 ZINC000590658513 478277193 /nfs/dbraw/zinc/27/71/93/478277193.db2.gz FTPDLPAHWPRRBG-NSHDSACASA-N 1 0 328.315 2.891 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590689615 478291342 /nfs/dbraw/zinc/29/13/42/478291342.db2.gz AAIAWJZQNGEXPN-ZDUSSCGKSA-N 1 0 330.388 2.666 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600215414 478292685 /nfs/dbraw/zinc/29/26/85/478292685.db2.gz KGLZAUXRUGTELM-UHFFFAOYSA-N 1 0 346.431 2.978 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000537311889 478296764 /nfs/dbraw/zinc/29/67/64/478296764.db2.gz VOOOKRPGTMOEHY-HNNXBMFYSA-N 1 0 349.431 2.519 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000489990655 478297204 /nfs/dbraw/zinc/29/72/04/478297204.db2.gz GAPCEGVRLBVARK-TZMCWYRMSA-N 1 0 334.420 2.612 20 5 EFBDRO O=c1[nH]cnc2cc(NC3CC[NH+](C4CCC4)CC3)c([N+](=O)[O-])cc21 ZINC000562705428 478322155 /nfs/dbraw/zinc/32/21/55/478322155.db2.gz SWJOFHQFUMWEFR-UHFFFAOYSA-N 1 0 343.387 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000590756610 478322602 /nfs/dbraw/zinc/32/26/02/478322602.db2.gz WPTQBZNSUBXTGO-LYRGGWFBSA-N 1 0 329.356 2.783 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590758122 478323053 /nfs/dbraw/zinc/32/30/53/478323053.db2.gz QEIIKKDUCPKXHB-OLZOCXBDSA-N 1 0 347.371 2.948 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000590758054 478323413 /nfs/dbraw/zinc/32/34/13/478323413.db2.gz BSWXLPFZROUYTQ-GUYCJALGSA-N 1 0 331.372 2.623 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000579582005 478330427 /nfs/dbraw/zinc/33/04/27/478330427.db2.gz FHAADNJNFAXVLW-OAHLLOKOSA-N 1 0 341.367 2.955 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310448 478333205 /nfs/dbraw/zinc/33/32/05/478333205.db2.gz JBIZYSDBHSPBCF-ZDUSSCGKSA-N 1 0 337.445 2.535 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000600309535 478333388 /nfs/dbraw/zinc/33/33/88/478333388.db2.gz BLPROELKINXSMT-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000590780363 478335016 /nfs/dbraw/zinc/33/50/16/478335016.db2.gz COFJMWKLGAPBLG-IAOVAPTHSA-N 1 0 329.400 2.715 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000600313524 478335228 /nfs/dbraw/zinc/33/52/28/478335228.db2.gz YUUFWDBXKPWYHJ-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO [NH3+][C@@H](CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570321452 478335414 /nfs/dbraw/zinc/33/54/14/478335414.db2.gz FODHUPPCFPTDBW-HNNXBMFYSA-N 1 0 325.368 2.964 20 5 EFBDRO CSc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600314854 478336417 /nfs/dbraw/zinc/33/64/17/478336417.db2.gz PYUQBRXYQWXOAJ-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600314754 478336820 /nfs/dbraw/zinc/33/68/20/478336820.db2.gz PFYLMZBWLFNXNT-LBPRGKRZSA-N 1 0 339.823 2.639 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000594388884 478355240 /nfs/dbraw/zinc/35/52/40/478355240.db2.gz CEERQFFYLUBCCK-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000594389436 478357359 /nfs/dbraw/zinc/35/73/59/478357359.db2.gz HYHTWUQVYCFTBY-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000590830515 478360302 /nfs/dbraw/zinc/36/03/02/478360302.db2.gz MGNOQXUPGGYQMQ-KRWDZBQOSA-N 1 0 332.404 2.771 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594418184 478373736 /nfs/dbraw/zinc/37/37/36/478373736.db2.gz GYTGNPZFPRRPMX-KGLIPLIRSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000570521194 478378734 /nfs/dbraw/zinc/37/87/34/478378734.db2.gz IIWNCOYPMFOVHK-CXAGYDPISA-N 1 0 343.427 2.516 20 5 EFBDRO CC(C)(O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000538738549 478380580 /nfs/dbraw/zinc/38/05/80/478380580.db2.gz BLGFZVXDERYEOV-FNORWQNLSA-N 1 0 334.416 2.860 20 5 EFBDRO COc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000539072405 478400240 /nfs/dbraw/zinc/40/02/40/478400240.db2.gz IDAZGSZQKJZTPZ-UHFFFAOYSA-N 1 0 348.321 2.929 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000590942711 478409261 /nfs/dbraw/zinc/40/92/61/478409261.db2.gz LTRZLPZIHRSBKB-BBRMVZONSA-N 1 0 332.404 2.536 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1C ZINC000570655443 478409949 /nfs/dbraw/zinc/40/99/49/478409949.db2.gz FWFKOGDJVIHXOR-HNNXBMFYSA-N 1 0 347.415 2.659 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000563002469 478411616 /nfs/dbraw/zinc/41/16/16/478411616.db2.gz GTMNHNUOBRANEN-HRCADAONSA-N 1 0 346.358 2.619 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000594500690 478414047 /nfs/dbraw/zinc/41/40/47/478414047.db2.gz ASBYTECOPKWUSH-RDJZCZTQSA-N 1 0 331.416 2.819 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502801 478415315 /nfs/dbraw/zinc/41/53/15/478415315.db2.gz OUUAHGVQLZXCRO-RHSMWYFYSA-N 1 0 343.427 2.963 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000594505941 478416217 /nfs/dbraw/zinc/41/62/17/478416217.db2.gz FZLAAMXIQVVKTJ-WMLDXEAASA-N 1 0 330.359 2.914 20 5 EFBDRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594506439 478417626 /nfs/dbraw/zinc/41/76/26/478417626.db2.gz RFSZRHXPFQKJAH-INIZCTEOSA-N 1 0 346.408 2.775 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC23CCC(CC2)C3)cc1 ZINC000570676141 478417857 /nfs/dbraw/zinc/41/78/57/478417857.db2.gz KBHMGMDASJUOFS-UHFFFAOYSA-N 1 0 338.429 2.538 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594512216 478420292 /nfs/dbraw/zinc/42/02/92/478420292.db2.gz VAQWXLREGYUMBS-OAHLLOKOSA-N 1 0 341.367 2.647 20 5 EFBDRO CSc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597587058 478421252 /nfs/dbraw/zinc/42/12/52/478421252.db2.gz OBRJWSPJYPIAEZ-UHFFFAOYSA-N 1 0 335.429 2.675 20 5 EFBDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594515606 478421952 /nfs/dbraw/zinc/42/19/52/478421952.db2.gz OJPUDSSKCXEBJB-UHFFFAOYSA-N 1 0 337.395 2.861 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594516485 478422568 /nfs/dbraw/zinc/42/25/68/478422568.db2.gz WLNIXOIEMCZTNG-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000594516486 478423295 /nfs/dbraw/zinc/42/32/95/478423295.db2.gz WLNIXOIEMCZTNG-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO CCC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594523210 478424653 /nfs/dbraw/zinc/42/46/53/478424653.db2.gz XEXFTIDERJJJGQ-ZFWWWQNUSA-N 1 0 329.404 2.712 20 5 EFBDRO COc1cc(C[NH2+]CCc2ncc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000594520188 478424668 /nfs/dbraw/zinc/42/46/68/478424668.db2.gz INXVYFFUJZGVKZ-UHFFFAOYSA-N 1 0 345.399 2.956 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570698225 478426748 /nfs/dbraw/zinc/42/67/48/478426748.db2.gz JXOXACFSBOVBGK-CYBMUJFWSA-N 1 0 330.310 2.589 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597604501 478429390 /nfs/dbraw/zinc/42/93/90/478429390.db2.gz JDNDRYOVYDZZRY-HYVNUMGLSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000591013131 478431078 /nfs/dbraw/zinc/43/10/78/478431078.db2.gz XFLGWCCPRZBBQQ-HNNXBMFYSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000591013132 478431940 /nfs/dbraw/zinc/43/19/40/478431940.db2.gz XFLGWCCPRZBBQQ-OAHLLOKOSA-N 1 0 333.388 2.806 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000591014775 478433566 /nfs/dbraw/zinc/43/35/66/478433566.db2.gz QKJQJZSOGYJEEL-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000594563157 478439183 /nfs/dbraw/zinc/43/91/83/478439183.db2.gz XXJANPOHVQNDNV-KGLIPLIRSA-N 1 0 334.420 2.698 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000539969178 478452035 /nfs/dbraw/zinc/45/20/35/478452035.db2.gz IGZOIQDXGVPFAU-MCIONIFRSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000581882197 478458243 /nfs/dbraw/zinc/45/82/43/478458243.db2.gz IOAVCTNMZUBNRK-YOEHRIQHSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000594603322 478462574 /nfs/dbraw/zinc/46/25/74/478462574.db2.gz UCORFUDUILPVLA-OCCSQVGLSA-N 1 0 327.388 2.967 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000491183212 478463825 /nfs/dbraw/zinc/46/38/25/478463825.db2.gz AZNJFFWAJRKXIL-YFHOEESVSA-N 1 0 329.400 2.695 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597713586 478475832 /nfs/dbraw/zinc/47/58/32/478475832.db2.gz CVLJNPVUXVIGGN-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597713585 478476078 /nfs/dbraw/zinc/47/60/78/478476078.db2.gz CVLJNPVUXVIGGN-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597714789 478476277 /nfs/dbraw/zinc/47/62/77/478476277.db2.gz JNGJRMCIJUJTCN-GOSISDBHSA-N 1 0 347.415 2.551 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000540578299 478482362 /nfs/dbraw/zinc/48/23/62/478482362.db2.gz WNFXLISCTOBIMB-WMLDXEAASA-N 1 0 336.388 2.815 20 5 EFBDRO [NH3+]C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600728558 478490130 /nfs/dbraw/zinc/49/01/30/478490130.db2.gz UTQWNEIBLTVUCX-OCCSQVGLSA-N 1 0 331.338 2.596 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1=O ZINC000591243848 478497708 /nfs/dbraw/zinc/49/77/08/478497708.db2.gz CMVKZWPYGINVCY-CHWSQXEVSA-N 1 0 337.445 2.581 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600757174 478505908 /nfs/dbraw/zinc/50/59/08/478505908.db2.gz KHCHYBLNLINMHR-BHYGNILZSA-N 1 0 342.395 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282615 478508981 /nfs/dbraw/zinc/50/89/81/478508981.db2.gz GBBSQIOOIVCULQ-GFCCVEGCSA-N 1 0 341.358 2.961 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000594716000 478509483 /nfs/dbraw/zinc/50/94/83/478509483.db2.gz GATNEXPUSXERAZ-INIZCTEOSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000582104828 478511557 /nfs/dbraw/zinc/51/15/57/478511557.db2.gz ZJVWNPRWRKEFBZ-KRWDZBQOSA-N 1 0 332.404 2.853 20 5 EFBDRO Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776247 478514777 /nfs/dbraw/zinc/51/47/77/478514777.db2.gz QGYHRHMHZKDBMP-STQMWFEESA-N 1 0 331.338 2.862 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000591303889 478515712 /nfs/dbraw/zinc/51/57/12/478515712.db2.gz GDLKVGWEIGTISK-WCQYABFASA-N 1 0 336.392 2.585 20 5 EFBDRO COC(=O)c1ccc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)c([N+](=O)[O-])c1 ZINC000600784482 478519801 /nfs/dbraw/zinc/51/98/01/478519801.db2.gz KLCPVQLUMMMWNB-KRWDZBQOSA-N 1 0 342.351 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000594739857 478524035 /nfs/dbraw/zinc/52/40/35/478524035.db2.gz ZQVFGPWEMZZSQB-QZTJIDSGSA-N 1 0 329.375 2.969 20 5 EFBDRO C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591358711 478536003 /nfs/dbraw/zinc/53/60/03/478536003.db2.gz NUCRIFVBEPFGKY-AWEZNQCLSA-N 1 0 346.431 2.831 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491402101 478537246 /nfs/dbraw/zinc/53/72/46/478537246.db2.gz RJWKGNSVENXVLT-DIECRNLCSA-N 1 0 335.379 2.594 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000571198794 478541141 /nfs/dbraw/zinc/54/11/41/478541141.db2.gz ZJQVVNBRSZXREY-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000597853409 478541090 /nfs/dbraw/zinc/54/10/90/478541090.db2.gz AAMFUZPXSIIRLO-LBPRGKRZSA-N 1 0 344.415 2.926 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000571198265 478541251 /nfs/dbraw/zinc/54/12/51/478541251.db2.gz IKGHZPSUAFJHPF-DGCLKSJQSA-N 1 0 330.331 2.502 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC000597860259 478546513 /nfs/dbraw/zinc/54/65/13/478546513.db2.gz MSRQZKSSVITEBX-CYBMUJFWSA-N 1 0 349.431 2.762 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591442913 478553552 /nfs/dbraw/zinc/55/35/52/478553552.db2.gz OBIDFZOYCFISOI-GHMZBOCLSA-N 1 0 329.322 2.968 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000591442970 478553765 /nfs/dbraw/zinc/55/37/65/478553765.db2.gz VQTQFHZVWXOXLO-VXGBXAGGSA-N 1 0 347.444 2.816 20 5 EFBDRO O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447014 478554861 /nfs/dbraw/zinc/55/48/61/478554861.db2.gz WPALINLMSOQWFZ-GOEBONIOSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447012 478554961 /nfs/dbraw/zinc/55/49/61/478554961.db2.gz WPALINLMSOQWFZ-GDBMZVCRSA-N 1 0 346.431 2.530 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000571293098 478564468 /nfs/dbraw/zinc/56/44/68/478564468.db2.gz GDCRYRJCRJWFRZ-UHFFFAOYSA-N 1 0 337.445 2.908 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000541597046 478571943 /nfs/dbraw/zinc/57/19/43/478571943.db2.gz KQXFGEIHHPVPFJ-QMTHXVAHSA-N 1 0 343.811 2.836 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000591533926 478575473 /nfs/dbraw/zinc/57/54/73/478575473.db2.gz KEVCLRANJLMQJF-GFCCVEGCSA-N 1 0 331.416 2.768 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597921980 478576302 /nfs/dbraw/zinc/57/63/02/478576302.db2.gz IRIVCFVRNAPCRN-GFCCVEGCSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582354739 478576859 /nfs/dbraw/zinc/57/68/59/478576859.db2.gz FAEXAINHTONHSH-CJNGLKHVSA-N 1 0 327.384 2.732 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597923737 478577814 /nfs/dbraw/zinc/57/78/14/478577814.db2.gz OVGDYAOSAXHJCZ-VNQPRFMTSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597925464 478579612 /nfs/dbraw/zinc/57/96/12/478579612.db2.gz VQLKVBKAFATCCK-JTQLQIEISA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000597925791 478580063 /nfs/dbraw/zinc/58/00/63/478580063.db2.gz RFONRUUSSIUOFG-LBPRGKRZSA-N 1 0 330.388 2.679 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926256 478581074 /nfs/dbraw/zinc/58/10/74/478581074.db2.gz WVZFIGGQCIXEFZ-ZDUSSCGKSA-N 1 0 335.404 2.596 20 5 EFBDRO COc1cc(CN[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000594914176 478581678 /nfs/dbraw/zinc/58/16/78/478581678.db2.gz DZINEJQWGHYRSX-ZDUSSCGKSA-N 1 0 337.420 2.576 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491559888 478587339 /nfs/dbraw/zinc/58/73/39/478587339.db2.gz CAQSPLSOSKSSJB-BIENSFFJSA-N 1 0 347.390 2.834 20 5 EFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594930392 478592342 /nfs/dbraw/zinc/59/23/42/478592342.db2.gz VVDDDJSKWYFIBS-UHFFFAOYSA-N 1 0 328.294 2.679 20 5 EFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000582448069 478600875 /nfs/dbraw/zinc/60/08/75/478600875.db2.gz PZURWHYZRCVNOL-OCCSQVGLSA-N 1 0 336.388 2.910 20 5 EFBDRO C[N@@H+]1CCCC12CCN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000582465483 478601930 /nfs/dbraw/zinc/60/19/30/478601930.db2.gz BGTMLWSNUOUNQC-UHFFFAOYSA-N 1 0 329.404 2.531 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000591676217 478605580 /nfs/dbraw/zinc/60/55/80/478605580.db2.gz FVFYQLYKELOODI-NOZJJQNGSA-N 1 0 345.321 2.813 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594960642 478607037 /nfs/dbraw/zinc/60/70/37/478607037.db2.gz JPRVOYYUACJTFA-BZHBSQSBSA-N 1 0 340.445 2.773 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597990888 478609219 /nfs/dbraw/zinc/60/92/19/478609219.db2.gz AHFIBZINGNRSFR-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000597994552 478609419 /nfs/dbraw/zinc/60/94/19/478609419.db2.gz ZYSYQJUHFOURPK-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597993926 478610164 /nfs/dbraw/zinc/61/01/64/478610164.db2.gz WEPWOFSTGGYCFG-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597997535 478611470 /nfs/dbraw/zinc/61/14/70/478611470.db2.gz MSDBRZBVHDBCCG-NWDGAFQWSA-N 1 0 325.434 2.532 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601014022 478613603 /nfs/dbraw/zinc/61/36/03/478613603.db2.gz SQNAMWLLYBAPEI-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601014023 478614326 /nfs/dbraw/zinc/61/43/26/478614326.db2.gz SQNAMWLLYBAPEI-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591734505 478615596 /nfs/dbraw/zinc/61/55/96/478615596.db2.gz HPFGAFUNRSYEFN-RDJZCZTQSA-N 1 0 345.399 2.861 20 5 EFBDRO COc1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1O ZINC000594978610 478616214 /nfs/dbraw/zinc/61/62/14/478616214.db2.gz SUTBIVNREFDFBA-AWEZNQCLSA-N 1 0 349.431 2.806 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591744333 478617854 /nfs/dbraw/zinc/61/78/54/478617854.db2.gz UFMLVEMMLUQWQF-NZSAHSFTSA-N 1 0 342.395 2.654 20 5 EFBDRO CCc1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000591744700 478618304 /nfs/dbraw/zinc/61/83/04/478618304.db2.gz ZSBOHRVRLPAXJT-QGZVFWFLSA-N 1 0 344.411 2.729 20 5 EFBDRO CCSC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000594986971 478619307 /nfs/dbraw/zinc/61/93/07/478619307.db2.gz PXZSLQVVHIDNMR-UHFFFAOYSA-N 1 0 326.418 2.987 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591757511 478621644 /nfs/dbraw/zinc/62/16/44/478621644.db2.gz ZKOBJNDDSAHQGN-UHFFFAOYSA-N 1 0 342.399 2.886 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594994880 478622659 /nfs/dbraw/zinc/62/26/59/478622659.db2.gz WXNWKNXHHRLHDO-ILCZHQDMSA-N 1 0 345.443 2.841 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601034570 478623305 /nfs/dbraw/zinc/62/33/05/478623305.db2.gz CRUUMDNWZSHWSH-UHFFFAOYSA-N 1 0 325.384 2.976 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000595001441 478623531 /nfs/dbraw/zinc/62/35/31/478623531.db2.gz UNXAPDLKLNTVCJ-PXAZEXFGSA-N 1 0 346.383 2.563 20 5 EFBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000594997325 478623958 /nfs/dbraw/zinc/62/39/58/478623958.db2.gz VDUUAVWMOOKAPZ-MOTZXUDYSA-N 1 0 334.416 2.765 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000594998574 478624037 /nfs/dbraw/zinc/62/40/37/478624037.db2.gz JUGVZIJDLDKOIK-KOMQPUFPSA-N 1 0 327.384 2.976 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000591767559 478624691 /nfs/dbraw/zinc/62/46/91/478624691.db2.gz RZKQWFLYAVGXNU-INIZCTEOSA-N 1 0 334.416 2.893 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000595006029 478626583 /nfs/dbraw/zinc/62/65/83/478626583.db2.gz DZUBARBHQYUEHI-RISCZKNCSA-N 1 0 342.399 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000595007940 478627031 /nfs/dbraw/zinc/62/70/31/478627031.db2.gz LIDRRRSBUWXTCO-ZIAGYGMSSA-N 1 0 338.404 2.697 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000595014270 478629253 /nfs/dbraw/zinc/62/92/53/478629253.db2.gz WAOHSQUNAOXOMQ-BLLLJJGKSA-N 1 0 339.461 2.691 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000595017518 478629469 /nfs/dbraw/zinc/62/94/69/478629469.db2.gz WGXJANGATDKZNA-GHMZBOCLSA-N 1 0 347.337 2.891 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000595014416 478630086 /nfs/dbraw/zinc/63/00/86/478630086.db2.gz PHJPLYKZMXLGFQ-LBPRGKRZSA-N 1 0 343.383 2.596 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC1CCOCC1 ZINC000595025089 478632745 /nfs/dbraw/zinc/63/27/45/478632745.db2.gz GBCQWIZEXZMTDG-CYBMUJFWSA-N 1 0 338.404 2.840 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000595035190 478637458 /nfs/dbraw/zinc/63/74/58/478637458.db2.gz HPGCHYAXBIGFSO-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000595040325 478638372 /nfs/dbraw/zinc/63/83/72/478638372.db2.gz UAVOQQYZYJJIIZ-SAHAZLINSA-N 1 0 326.418 2.555 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000595044281 478638531 /nfs/dbraw/zinc/63/85/31/478638531.db2.gz KSHZSBWMOWKGHT-QWHCGFSZSA-N 1 0 338.404 2.838 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595057305 478643888 /nfs/dbraw/zinc/64/38/88/478643888.db2.gz WRDJMZKLDZLQBZ-HIFRSBDPSA-N 1 0 348.447 2.774 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595059719 478644901 /nfs/dbraw/zinc/64/49/01/478644901.db2.gz JRRJQLBKEALCGM-FHGZLIBBSA-N 1 0 340.445 2.944 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595059728 478644959 /nfs/dbraw/zinc/64/49/59/478644959.db2.gz JRRJQLBKEALCGM-VMBHHYDMSA-N 1 0 340.445 2.944 20 5 EFBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000595095645 478657425 /nfs/dbraw/zinc/65/74/25/478657425.db2.gz SCVLXYAPDJUTEU-MAUKXSAKSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000595098571 478659394 /nfs/dbraw/zinc/65/93/94/478659394.db2.gz BQTXXXNSECLVNC-PKOBYXMFSA-N 1 0 345.443 2.815 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105199 478662580 /nfs/dbraw/zinc/66/25/80/478662580.db2.gz RGZIWOOHOXSFGL-GDBMZVCRSA-N 1 0 333.432 2.807 20 5 EFBDRO O=[N+]([O-])c1sccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601119406 478666640 /nfs/dbraw/zinc/66/66/40/478666640.db2.gz RMOZCOZVOLBJNY-MRXNPFEDSA-N 1 0 333.413 2.705 20 5 EFBDRO CCC[NH+]1CCC(Nc2ccc(CC(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000591889059 478677555 /nfs/dbraw/zinc/67/75/55/478677555.db2.gz NJYLJQATRKPCAI-UHFFFAOYSA-N 1 0 349.431 2.987 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601144177 478684985 /nfs/dbraw/zinc/68/49/85/478684985.db2.gz FYTKTCOBJQMFOE-HSBHDXMMSA-N 1 0 341.293 2.593 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(CC(=O)OCC)cc2[N+](=O)[O-])C1 ZINC000591901260 478686163 /nfs/dbraw/zinc/68/61/63/478686163.db2.gz SWLGDPYAHVUCTQ-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601153453 478693528 /nfs/dbraw/zinc/69/35/28/478693528.db2.gz OCERAUIEDOLUNC-MRXNPFEDSA-N 1 0 336.413 2.748 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1[NH3+] ZINC000595228801 478694347 /nfs/dbraw/zinc/69/43/47/478694347.db2.gz MLXJHOBETDBSIU-MFKMUULPSA-N 1 0 346.412 2.528 20 5 EFBDRO CCc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000564118226 478696556 /nfs/dbraw/zinc/69/65/56/478696556.db2.gz FVTUCBXMKJFOMW-LBPRGKRZSA-N 1 0 336.413 2.748 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595258473 478704486 /nfs/dbraw/zinc/70/44/86/478704486.db2.gz NJLWRTQCKKJFOM-KOLCDFICSA-N 1 0 345.321 2.813 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc([N+](=O)[O-])c1C ZINC000595257959 478705179 /nfs/dbraw/zinc/70/51/79/478705179.db2.gz FAXPLQDJPWVIMM-IUODEOHRSA-N 1 0 349.431 2.891 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591926907 478710849 /nfs/dbraw/zinc/71/08/49/478710849.db2.gz WUVWKYWFDCYLSN-GXTWGEPZSA-N 1 0 347.415 2.738 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220494 478711976 /nfs/dbraw/zinc/71/19/76/478711976.db2.gz QAOQOQANAVHFDX-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595294973 478719529 /nfs/dbraw/zinc/71/95/29/478719529.db2.gz DRGZVRFFXXXUBK-HOTGVXAUSA-N 1 0 335.448 2.914 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297657 478721306 /nfs/dbraw/zinc/72/13/06/478721306.db2.gz INUHCKWRTIERHS-AWEZNQCLSA-N 1 0 337.395 2.862 20 5 EFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319669 478722447 /nfs/dbraw/zinc/72/24/47/478722447.db2.gz KNLUIBBDAUMEEQ-MRXNPFEDSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000601211045 478724659 /nfs/dbraw/zinc/72/46/59/478724659.db2.gz VRHJJUQSCDPTTC-DZGCQCFKSA-N 1 0 342.399 2.875 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000601209618 478724874 /nfs/dbraw/zinc/72/48/74/478724874.db2.gz GPHISXAFVIPUSE-ZFWWWQNUSA-N 1 0 329.404 2.508 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598262000 478730367 /nfs/dbraw/zinc/73/03/67/478730367.db2.gz WUUUPUMLJYHYTP-GJZGRUSLSA-N 1 0 333.432 2.935 20 5 EFBDRO Cc1noc(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595333571 478735247 /nfs/dbraw/zinc/73/52/47/478735247.db2.gz KMBQKFLPLDMTSQ-CQSZACIVSA-N 1 0 344.415 2.988 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000491924951 478739779 /nfs/dbraw/zinc/73/97/79/478739779.db2.gz KZOSNBYNENZIQL-MVHLYKQMSA-N 1 0 331.416 2.939 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000572103185 478751845 /nfs/dbraw/zinc/75/18/45/478751845.db2.gz JBWFEESTZQMIJC-KRWDZBQOSA-N 1 0 342.399 2.874 20 5 EFBDRO CCC[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000595403964 478762344 /nfs/dbraw/zinc/76/23/44/478762344.db2.gz KKWHRYYPPLOXOK-INIZCTEOSA-N 1 0 339.411 2.667 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293606 478769951 /nfs/dbraw/zinc/76/99/51/478769951.db2.gz IHBRNDSVXMHEKS-GXFFZTMASA-N 1 0 343.309 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601293642 478770335 /nfs/dbraw/zinc/77/03/35/478770335.db2.gz IJIPSGQQZKSICY-AAEUAGOBSA-N 1 0 341.293 2.567 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300656 478774340 /nfs/dbraw/zinc/77/43/40/478774340.db2.gz ISPKZEXENZBBDH-RVBZMBCESA-N 1 0 336.310 2.956 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300657 478774640 /nfs/dbraw/zinc/77/46/40/478774640.db2.gz ISPKZEXENZBBDH-RWEMILLDSA-N 1 0 336.310 2.956 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000598341391 478774903 /nfs/dbraw/zinc/77/49/03/478774903.db2.gz ALYQHNSTNCWKNJ-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000598341380 478775290 /nfs/dbraw/zinc/77/52/90/478775290.db2.gz AEBUPTGCISGPJO-GFCCVEGCSA-N 1 0 345.321 2.828 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000598343908 478777759 /nfs/dbraw/zinc/77/77/59/478777759.db2.gz YGENNMQSZJRZTJ-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595445425 478788120 /nfs/dbraw/zinc/78/81/20/478788120.db2.gz BOSHVFYVQKKSJY-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492040645 478796842 /nfs/dbraw/zinc/79/68/42/478796842.db2.gz LOTGWLPWVLDURQ-QWGSZXSUSA-N 1 0 343.427 2.798 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601353910 478799428 /nfs/dbraw/zinc/79/94/28/478799428.db2.gz IYSHIPOYZDSSRS-SWLSCSKDSA-N 1 0 347.390 2.823 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000583257953 478804324 /nfs/dbraw/zinc/80/43/24/478804324.db2.gz IMMJRGJLGPESIE-HDJSIYSDSA-N 1 0 342.399 2.584 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564792387 478812094 /nfs/dbraw/zinc/81/20/94/478812094.db2.gz FFAKXIBLIPIKAL-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000544144167 478813166 /nfs/dbraw/zinc/81/31/66/478813166.db2.gz ZQOYGIQIQMVASS-GOEBONIOSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181489 478814865 /nfs/dbraw/zinc/81/48/65/478814865.db2.gz FNHPTRKTFSSLPR-ZIAGYGMSSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181487 478814905 /nfs/dbraw/zinc/81/49/05/478814905.db2.gz FNHPTRKTFSSLPR-KGLIPLIRSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592182170 478815868 /nfs/dbraw/zinc/81/58/68/478815868.db2.gz LAPQEULJILIUTJ-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183616 478817442 /nfs/dbraw/zinc/81/74/42/478817442.db2.gz KUQGNRLSALRBJZ-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592184029 478817704 /nfs/dbraw/zinc/81/77/04/478817704.db2.gz XRECKWRLOYNLPV-KBPBESRZSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1noc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000595501608 478821520 /nfs/dbraw/zinc/82/15/20/478821520.db2.gz UPJOMTQHXYQDPE-UHFFFAOYSA-N 1 0 349.362 2.912 20 5 EFBDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826507 478822484 /nfs/dbraw/zinc/82/24/84/478822484.db2.gz QQBXNIYQCJBKKY-KBXCAEBGSA-N 1 0 329.400 2.522 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601410261 478824112 /nfs/dbraw/zinc/82/41/12/478824112.db2.gz JGSLBNIBJUVCJO-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000592211792 478828446 /nfs/dbraw/zinc/82/84/46/478828446.db2.gz IYDSZELEAXGAMA-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccn1 ZINC000544371833 478830415 /nfs/dbraw/zinc/83/04/15/478830415.db2.gz ULUDTGWGZCQVIF-UHFFFAOYSA-N 1 0 334.763 2.762 20 5 EFBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000595527549 478835772 /nfs/dbraw/zinc/83/57/72/478835772.db2.gz VBIPZXHXEGCOCD-JZXOWHBKSA-N 1 0 347.459 2.883 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000572463502 478840441 /nfs/dbraw/zinc/84/04/41/478840441.db2.gz ZHTJCFWSYBSKST-CYBMUJFWSA-N 1 0 340.445 2.769 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254576 478842115 /nfs/dbraw/zinc/84/21/15/478842115.db2.gz HKZLINDRMCQTJP-QWHCGFSZSA-N 1 0 335.379 2.586 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255211 478842627 /nfs/dbraw/zinc/84/26/27/478842627.db2.gz OSHVCQOQPDZIDN-QWHCGFSZSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255485 478842999 /nfs/dbraw/zinc/84/29/99/478842999.db2.gz QDZRAKJLLMMHSW-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000564878539 478844099 /nfs/dbraw/zinc/84/40/99/478844099.db2.gz GWCAYZYHPBWUOU-UHFFFAOYSA-N 1 0 345.403 2.556 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000503609981 478844818 /nfs/dbraw/zinc/84/48/18/478844818.db2.gz FOZUZUARVNWFKF-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598507915 478867906 /nfs/dbraw/zinc/86/79/06/478867906.db2.gz DPSOGDSTVGENSG-GOSISDBHSA-N 1 0 339.395 2.528 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598507918 478868257 /nfs/dbraw/zinc/86/82/57/478868257.db2.gz DPSOGDSTVGENSG-SFHVURJKSA-N 1 0 339.395 2.528 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000595587350 478871818 /nfs/dbraw/zinc/87/18/18/478871818.db2.gz GVONIYSOGQGSRN-AWEZNQCLSA-N 1 0 348.447 2.823 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592374447 478871973 /nfs/dbraw/zinc/87/19/73/478871973.db2.gz ICBMXKRCVSVKAG-OAHLLOKOSA-N 1 0 333.413 2.841 20 5 EFBDRO COc1ccc(C[N@H+](C)[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595595166 478874346 /nfs/dbraw/zinc/87/43/46/478874346.db2.gz HPNJLGWCXXHZOK-INIZCTEOSA-N 1 0 330.384 2.639 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(CO)cc1 ZINC000592392954 478881614 /nfs/dbraw/zinc/88/16/14/478881614.db2.gz KYXOMPXTYZEBGB-ZDUSSCGKSA-N 1 0 343.383 2.594 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(CO)cc2)n1 ZINC000592392863 478881959 /nfs/dbraw/zinc/88/19/59/478881959.db2.gz AWNREMNQFXIUNP-HZPDHXFCSA-N 1 0 330.388 2.557 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428811 478892443 /nfs/dbraw/zinc/89/24/43/478892443.db2.gz VOUZLIILTHAXHK-WBMJQRKESA-N 1 0 347.440 2.871 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000572685618 478894337 /nfs/dbraw/zinc/89/43/37/478894337.db2.gz LISZPJRSXYCQJW-LLVKDONJSA-N 1 0 326.809 2.841 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562975 478896501 /nfs/dbraw/zinc/89/65/01/478896501.db2.gz YEFTWCROHHQDPW-QGZVFWFLSA-N 1 0 345.443 2.766 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598562072 478897486 /nfs/dbraw/zinc/89/74/86/478897486.db2.gz SKJXYQHQQHLMST-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[NH2+]1 ZINC000598576733 478906388 /nfs/dbraw/zinc/90/63/88/478906388.db2.gz ZAQUQRVGXAGKFS-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000572735198 478909329 /nfs/dbraw/zinc/90/93/29/478909329.db2.gz QXPOJUUVXXISGM-DVOMOZLQSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601620033 478911948 /nfs/dbraw/zinc/91/19/48/478911948.db2.gz FKIPYXIFHNEFDI-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO O=c1[nH]cnc2cc(NC[C@H]3CCCC[N@@H+]3C3CC3)c([N+](=O)[O-])cc21 ZINC000572798352 478922117 /nfs/dbraw/zinc/92/21/17/478922117.db2.gz UMFUYIOYWXWGCX-GFCCVEGCSA-N 1 0 343.387 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000592514521 478925139 /nfs/dbraw/zinc/92/51/39/478925139.db2.gz QYZAKDXJRIHHKW-ZBFHGGJFSA-N 1 0 341.415 2.713 20 5 EFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670617 478927107 /nfs/dbraw/zinc/92/71/07/478927107.db2.gz GIEXPCTWFXHECS-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598636239 478938107 /nfs/dbraw/zinc/93/81/07/478938107.db2.gz DOLYUWDNAPOZCI-GFCCVEGCSA-N 1 0 348.403 2.595 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CCO ZINC000595697613 478941501 /nfs/dbraw/zinc/94/15/01/478941501.db2.gz MASYMYHATLDKEC-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO CC1(C)CC[C@@H](CO)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000598647445 478944931 /nfs/dbraw/zinc/94/49/31/478944931.db2.gz MHLPMFFOFBMWRN-AWEZNQCLSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598649987 478945912 /nfs/dbraw/zinc/94/59/12/478945912.db2.gz WGZIKRDGELSBDI-HNNXBMFYSA-N 1 0 349.431 2.715 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595703609 478947729 /nfs/dbraw/zinc/94/77/29/478947729.db2.gz MKOKFIQWSCRNBG-HNNXBMFYSA-N 1 0 348.447 2.652 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595703640 478948624 /nfs/dbraw/zinc/94/86/24/478948624.db2.gz UUBWNMLAKHFDHB-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595706879 478950189 /nfs/dbraw/zinc/95/01/89/478950189.db2.gz YAZLRYKOWWIPEO-DYVFJYSZSA-N 1 0 349.431 2.715 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227077 478957520 /nfs/dbraw/zinc/95/75/20/478957520.db2.gz VAFUGCGZJJJMOX-SQWLQELKSA-N 1 0 348.447 2.944 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1=CCCOC1 ZINC000595753138 478976870 /nfs/dbraw/zinc/97/68/70/478976870.db2.gz PTYWJACXYNNGBL-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000583979100 478983945 /nfs/dbraw/zinc/98/39/45/478983945.db2.gz MFYZDHYWZMKKMR-KDOFPFPSSA-N 1 0 346.431 2.783 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598721441 478990728 /nfs/dbraw/zinc/99/07/28/478990728.db2.gz VODPNCIYBNZUJL-XHDPSFHLSA-N 1 0 327.331 2.509 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565373406 478992668 /nfs/dbraw/zinc/99/26/68/478992668.db2.gz VBCZCESZNTWYMC-PXPSOEEZSA-N 1 0 345.443 2.795 20 5 EFBDRO CC(C)CC1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595832999 479025127 /nfs/dbraw/zinc/02/51/27/479025127.db2.gz ZARIQXSKNLDEEJ-UHFFFAOYSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000565531160 479028205 /nfs/dbraw/zinc/02/82/05/479028205.db2.gz FNZDVBHFASEXGY-ACJLOTCBSA-N 1 0 349.431 2.843 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000514601093 479030967 /nfs/dbraw/zinc/03/09/67/479030967.db2.gz ZIRNZHZNUNUZBO-ZBFHGGJFSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H]1[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592767315 479032899 /nfs/dbraw/zinc/03/28/99/479032899.db2.gz VPIFZRCGAQQPIF-DJSGYFEHSA-N 1 0 335.429 2.509 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000601882421 479055744 /nfs/dbraw/zinc/05/57/44/479055744.db2.gz YIUVQGOYMDGHPS-CQSZACIVSA-N 1 0 329.356 2.501 20 5 EFBDRO O=C(C[N@H+](CC1CC1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000573419956 479061552 /nfs/dbraw/zinc/06/15/52/479061552.db2.gz POKAHDQQPWYKEC-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO CCCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592828035 479062567 /nfs/dbraw/zinc/06/25/67/479062567.db2.gz ADLILAVYQJGXPD-OCCSQVGLSA-N 1 0 337.395 2.780 20 5 EFBDRO CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592830317 479065122 /nfs/dbraw/zinc/06/51/22/479065122.db2.gz CVQQNBSCWWCMHC-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO O=C(CC[NH2+]Cc1cnc(C2CC2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000565712926 479069103 /nfs/dbraw/zinc/06/91/03/479069103.db2.gz WSNKSBXBHGCFGJ-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000565754159 479075790 /nfs/dbraw/zinc/07/57/90/479075790.db2.gz AKOYXCWOAKSEGL-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)c2cccc3c2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000595928716 479077966 /nfs/dbraw/zinc/07/79/66/479077966.db2.gz FJVUHFHAQXCNAF-LBPRGKRZSA-N 1 0 325.368 2.997 20 5 EFBDRO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595934485 479078674 /nfs/dbraw/zinc/07/86/74/479078674.db2.gz MGPIWBKKEKTCAX-UHFFFAOYSA-N 1 0 329.381 2.505 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935149 479079474 /nfs/dbraw/zinc/07/94/74/479079474.db2.gz ABAVPHSNAQVPKT-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](c2ccncc2)C1 ZINC000514869542 479081197 /nfs/dbraw/zinc/08/11/97/479081197.db2.gz AZSVYIHOOLFHEV-OAHLLOKOSA-N 1 0 340.383 2.726 20 5 EFBDRO CCC(=O)N1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000573504927 479082096 /nfs/dbraw/zinc/08/20/96/479082096.db2.gz GBNLXGZEHGCODG-NTCAYCPXSA-N 1 0 331.416 2.942 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595959150 479082362 /nfs/dbraw/zinc/08/23/62/479082362.db2.gz BTGMVZLTZSAJSK-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000598913986 479083699 /nfs/dbraw/zinc/08/36/99/479083699.db2.gz UCILUAYYECWTTQ-IRUJWGPZSA-N 1 0 338.795 2.839 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598912934 479083821 /nfs/dbraw/zinc/08/38/21/479083821.db2.gz DAPWXJFQQJXMOD-BONVTDFDSA-N 1 0 338.795 2.841 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598914002 479083955 /nfs/dbraw/zinc/08/39/55/479083955.db2.gz URXDFMAIYORVHW-VXGBXAGGSA-N 1 0 336.367 2.587 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914530 479084345 /nfs/dbraw/zinc/08/43/45/479084345.db2.gz GYMUWZDSHCLRNF-JOYOIKCWSA-N 1 0 326.784 2.887 20 5 EFBDRO C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000598915507 479084629 /nfs/dbraw/zinc/08/46/29/479084629.db2.gz NHEQUNLJBHUAEJ-AWEZNQCLSA-N 1 0 326.784 2.759 20 5 EFBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595983044 479087591 /nfs/dbraw/zinc/08/75/91/479087591.db2.gz MWHZVPIUPCDAIR-CYBMUJFWSA-N 1 0 342.399 2.545 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000584325678 479091454 /nfs/dbraw/zinc/09/14/54/479091454.db2.gz OIXMMKDYMOHHRU-CABCVRRESA-N 1 0 333.432 2.889 20 5 EFBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000493649682 479097819 /nfs/dbraw/zinc/09/78/19/479097819.db2.gz BUECKCRAFGXKHM-FLIBITNWSA-N 1 0 331.416 2.941 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]CC1(O)CCC1 ZINC000584346055 479102813 /nfs/dbraw/zinc/10/28/13/479102813.db2.gz QCERXFBGONCSFD-UHFFFAOYSA-N 1 0 333.310 2.530 20 5 EFBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000601976290 479105349 /nfs/dbraw/zinc/10/53/49/479105349.db2.gz VVYMWJNWQQIOPM-BZNIZROVSA-N 1 0 331.397 2.681 20 5 EFBDRO CSC1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000493681968 479112406 /nfs/dbraw/zinc/11/24/06/479112406.db2.gz AFMQANRCWRODRM-FPLPWBNLSA-N 1 0 349.456 2.552 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000573664530 479115664 /nfs/dbraw/zinc/11/56/64/479115664.db2.gz FCDABZKMQZGEFX-CABCVRRESA-N 1 0 333.432 2.841 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC000596074490 479121906 /nfs/dbraw/zinc/12/19/06/479121906.db2.gz UFGMUZSTEQTHRO-INIZCTEOSA-N 1 0 334.420 2.616 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599001012 479122152 /nfs/dbraw/zinc/12/21/52/479122152.db2.gz RABDSKCEWIHAPM-GJZGRUSLSA-N 1 0 348.447 2.995 20 5 EFBDRO Nc1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)nc1[N+](=O)[O-] ZINC000596074381 479122178 /nfs/dbraw/zinc/12/21/78/479122178.db2.gz SKHPKNSBIKFTRU-UHFFFAOYSA-N 1 0 333.436 2.664 20 5 EFBDRO O=c1[nH]ccc(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596078310 479124376 /nfs/dbraw/zinc/12/43/76/479124376.db2.gz WAJYYAPRUGZSIN-UHFFFAOYSA-N 1 0 342.399 2.814 20 5 EFBDRO O=c1[nH]ccc(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596079031 479124513 /nfs/dbraw/zinc/12/45/13/479124513.db2.gz ZNOURPDSZBYSGW-UHFFFAOYSA-N 1 0 328.372 2.556 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076905 479124868 /nfs/dbraw/zinc/12/48/68/479124868.db2.gz RXHLDMWAFQYKPA-CYBMUJFWSA-N 1 0 334.420 2.760 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596077516 479124947 /nfs/dbraw/zinc/12/49/47/479124947.db2.gz JXYBVNPJHHTOHZ-LBPRGKRZSA-N 1 0 342.390 2.970 20 5 EFBDRO O=c1[nH]ccc(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596082020 479127446 /nfs/dbraw/zinc/12/74/46/479127446.db2.gz GGOHWLBLXNGWPO-UHFFFAOYSA-N 1 0 334.420 2.788 20 5 EFBDRO O=C1NCCc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC000584420970 479130029 /nfs/dbraw/zinc/13/00/29/479130029.db2.gz YLCRLLPQIZAPQZ-KRWDZBQOSA-N 1 0 337.379 2.658 20 5 EFBDRO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)([NH+](C)C)C1 ZINC000596087014 479130745 /nfs/dbraw/zinc/13/07/45/479130745.db2.gz HENCZXINENWTIF-PXAZEXFGSA-N 1 0 334.420 2.616 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493720654 479130995 /nfs/dbraw/zinc/13/09/95/479130995.db2.gz IPVLBEMJTOOQGT-VUDGCMKMSA-N 1 0 335.379 2.595 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)c1 ZINC000602021615 479143684 /nfs/dbraw/zinc/14/36/84/479143684.db2.gz QIQQYSPBRUPSAG-BETUJISGSA-N 1 0 330.413 2.655 20 5 EFBDRO O=c1[nH]ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000596112321 479145033 /nfs/dbraw/zinc/14/50/33/479145033.db2.gz NSDWZXKGBFZKMU-AWEZNQCLSA-N 1 0 334.420 2.788 20 5 EFBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599069000 479147430 /nfs/dbraw/zinc/14/74/30/479147430.db2.gz SKGSXEWCZHCFDA-DZGCQCFKSA-N 1 0 337.420 2.699 20 5 EFBDRO C[NH+](C)C/C=C/C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000493759963 479149201 /nfs/dbraw/zinc/14/92/01/479149201.db2.gz RYABGMHBVHYHMB-LVDDQXARSA-N 1 0 349.284 2.571 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063183 479152204 /nfs/dbraw/zinc/15/22/04/479152204.db2.gz RCFZKVGQNPSLIO-OCCSQVGLSA-N 1 0 335.404 2.731 20 5 EFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000599083373 479154010 /nfs/dbraw/zinc/15/40/10/479154010.db2.gz KJIPDSSXSPWASV-UOIKSKOESA-N 1 0 342.374 2.792 20 5 EFBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])s1 ZINC000596130764 479156198 /nfs/dbraw/zinc/15/61/98/479156198.db2.gz FWPFJSGKDGSSFX-VIFPVBQESA-N 1 0 339.446 2.711 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000596130562 479156596 /nfs/dbraw/zinc/15/65/96/479156596.db2.gz RQFUOZFBJLFGRE-CQSZACIVSA-N 1 0 349.431 2.825 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000573844806 479158450 /nfs/dbraw/zinc/15/84/50/479158450.db2.gz LQJZGWGRVFHAAG-UKRRQHHQSA-N 1 0 333.432 2.905 20 5 EFBDRO CCC(CC)[NH2+]CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000599098173 479160823 /nfs/dbraw/zinc/16/08/23/479160823.db2.gz PXYLEDBMJGEZLD-UHFFFAOYSA-N 1 0 331.214 2.942 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCSCC3)CCCC2)c(F)c1 ZINC000584516507 479160825 /nfs/dbraw/zinc/16/08/25/479160825.db2.gz UUKULCUTUQNNEQ-UHFFFAOYSA-N 1 0 340.424 2.902 20 5 EFBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCCc1ccccc1 ZINC000573862401 479162269 /nfs/dbraw/zinc/16/22/69/479162269.db2.gz KOTWYFCINREFHA-KRWDZBQOSA-N 1 0 339.395 2.531 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(C2CCC2)CC1 ZINC000593083016 479163412 /nfs/dbraw/zinc/16/34/12/479163412.db2.gz ZEWQLXCUQLLMTK-UHFFFAOYSA-N 1 0 331.372 2.815 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000593085222 479164641 /nfs/dbraw/zinc/16/46/41/479164641.db2.gz WLKWYRPZPBTWRW-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000599141008 479179029 /nfs/dbraw/zinc/17/90/29/479179029.db2.gz XTSZQIOHUHCONK-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000599141007 479179124 /nfs/dbraw/zinc/17/91/24/479179124.db2.gz XTSZQIOHUHCONK-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[NH+]1CCCCC1 ZINC000593111107 479180731 /nfs/dbraw/zinc/18/07/31/479180731.db2.gz CPWCKAQSHXYRMN-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000610769700 479182239 /nfs/dbraw/zinc/18/22/39/479182239.db2.gz GWXBFJULKXRIMM-NSHDSACASA-N 1 0 341.209 2.649 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610769821 479182633 /nfs/dbraw/zinc/18/26/33/479182633.db2.gz KTGIHIVHLJOZRJ-LLVKDONJSA-N 1 0 343.225 2.719 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569810092 479182687 /nfs/dbraw/zinc/18/26/87/479182687.db2.gz FNGIRBLGMNVQEI-NSHDSACASA-N 1 0 343.811 2.520 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574905 479182949 /nfs/dbraw/zinc/18/29/49/479182949.db2.gz HSTHZCVWASFHMV-UKRRQHHQSA-N 1 0 334.420 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(F)CC1 ZINC000602992830 479184807 /nfs/dbraw/zinc/18/48/07/479184807.db2.gz HHAAUOZYVPDRSE-UHFFFAOYSA-N 1 0 339.367 2.756 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599157105 479185762 /nfs/dbraw/zinc/18/57/62/479185762.db2.gz NZFVNYAFYUUEAZ-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000602997472 479186349 /nfs/dbraw/zinc/18/63/49/479186349.db2.gz KWJWSMDMYZXHGN-IKGGRYGDSA-N 1 0 347.415 2.549 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000602998080 479187377 /nfs/dbraw/zinc/18/73/77/479187377.db2.gz WWQIKBXCOHDWMD-XPKDYRNWSA-N 1 0 338.379 2.868 20 5 EFBDRO C[NH+](C)CCc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000596204551 479197942 /nfs/dbraw/zinc/19/79/42/479197942.db2.gz RLQSGQCMQMSSOW-UHFFFAOYSA-N 1 0 334.807 2.781 20 5 EFBDRO Cc1c(CNC(=O)C[N@H+](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000602149110 479202549 /nfs/dbraw/zinc/20/25/49/479202549.db2.gz RPNSSMSUFJKZAU-UHFFFAOYSA-N 1 0 341.411 2.694 20 5 EFBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000610844501 479205254 /nfs/dbraw/zinc/20/52/54/479205254.db2.gz SVWAXDMQTQKBKF-UHFFFAOYSA-N 1 0 343.383 2.981 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000596216736 479205779 /nfs/dbraw/zinc/20/57/79/479205779.db2.gz LKKNWEYFCFSWER-YVEFUNNKSA-N 1 0 342.399 2.797 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593168722 479215493 /nfs/dbraw/zinc/21/54/93/479215493.db2.gz RXJRWVGRTQOFNL-UHFFFAOYSA-N 1 0 325.384 2.513 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)c(F)c1 ZINC000596250605 479223494 /nfs/dbraw/zinc/22/34/94/479223494.db2.gz IAJYHFDKQOOLJR-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189620 479230776 /nfs/dbraw/zinc/23/07/76/479230776.db2.gz VUBUMGYUUGUTEC-YVECIDJPSA-N 1 0 337.395 2.777 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593188234 479231016 /nfs/dbraw/zinc/23/10/16/479231016.db2.gz ZDAVJITUFIDNCR-YNEHKIRRSA-N 1 0 346.431 2.722 20 5 EFBDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000584787334 479243523 /nfs/dbraw/zinc/24/35/23/479243523.db2.gz CNQOLADSAUANDL-ZDUSSCGKSA-N 1 0 349.822 2.655 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000603109427 479253229 /nfs/dbraw/zinc/25/32/29/479253229.db2.gz AOVQSGUBZFTFIU-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000596337401 479258416 /nfs/dbraw/zinc/25/84/16/479258416.db2.gz WNJMGRFHUCRPRW-LBPRGKRZSA-N 1 0 332.404 2.764 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596373533 479270704 /nfs/dbraw/zinc/27/07/04/479270704.db2.gz PNKBMNBUIKPGKH-TUBUTJRMSA-N 1 0 347.440 2.975 20 5 EFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000585090418 479278660 /nfs/dbraw/zinc/27/86/60/479278660.db2.gz LUZLHCKTXNGPAX-RBSFLKMASA-N 1 0 341.415 2.873 20 5 EFBDRO CC[N@@H+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000611084747 479278962 /nfs/dbraw/zinc/27/89/62/479278962.db2.gz QHJIMFVSXWSEMF-CQSZACIVSA-N 1 0 341.415 2.891 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574397577 479278970 /nfs/dbraw/zinc/27/89/70/479278970.db2.gz VISSPDDMSGHNFF-PBHICJAKSA-N 1 0 347.415 2.733 20 5 EFBDRO CC[N@@H+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000611084746 479279629 /nfs/dbraw/zinc/27/96/29/479279629.db2.gz QHJIMFVSXWSEMF-AWEZNQCLSA-N 1 0 341.415 2.891 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611082422 479279678 /nfs/dbraw/zinc/27/96/78/479279678.db2.gz DDVLIQQFPGFNSG-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO CC(C)(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000574481386 479294690 /nfs/dbraw/zinc/29/46/90/479294690.db2.gz SYOGVXWFORYQFU-HNNXBMFYSA-N 1 0 335.404 2.670 20 5 EFBDRO CC[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000611172083 479300651 /nfs/dbraw/zinc/30/06/51/479300651.db2.gz QIPHRPMBBXKITK-CYBMUJFWSA-N 1 0 330.388 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCn2cc(C[NH2+]C3CCCCC3)nn2)c1 ZINC000603202785 479301965 /nfs/dbraw/zinc/30/19/65/479301965.db2.gz ZTVFFJSIZQMRHW-UHFFFAOYSA-N 1 0 345.403 2.688 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCOC2)CC1 ZINC000611178407 479303388 /nfs/dbraw/zinc/30/33/88/479303388.db2.gz WDPWGBSNIWAISH-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342592 479304257 /nfs/dbraw/zinc/30/42/57/479304257.db2.gz UGBDBUXSOIONHA-KRWDZBQOSA-N 1 0 329.356 2.582 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000596466907 479307356 /nfs/dbraw/zinc/30/73/56/479307356.db2.gz LHPAALAVSINWPH-KRWDZBQOSA-N 1 0 326.400 2.743 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000611195892 479308322 /nfs/dbraw/zinc/30/83/22/479308322.db2.gz JXYNJPJAFSLYNY-ZDUSSCGKSA-N 1 0 342.399 2.777 20 5 EFBDRO COc1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611209074 479311621 /nfs/dbraw/zinc/31/16/21/479311621.db2.gz DONGMWOBFOQCTQ-UHFFFAOYSA-N 1 0 331.372 2.899 20 5 EFBDRO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596481048 479312249 /nfs/dbraw/zinc/31/22/49/479312249.db2.gz WMIJNXUFSORYAJ-ZDUSSCGKSA-N 1 0 348.403 2.595 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000585718706 479315975 /nfs/dbraw/zinc/31/59/75/479315975.db2.gz ULQZLVSXBDUQGE-LJQANCHMSA-N 1 0 342.395 2.748 20 5 EFBDRO COCCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599507167 479316378 /nfs/dbraw/zinc/31/63/78/479316378.db2.gz RABAWLRVYFERQI-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO COCCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000599507576 479317014 /nfs/dbraw/zinc/31/70/14/479317014.db2.gz ZKNLVZLONWBJBT-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000596499885 479318221 /nfs/dbraw/zinc/31/82/21/479318221.db2.gz WRIIUTRYIFSUFM-AWEZNQCLSA-N 1 0 332.404 2.838 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000593408529 479328701 /nfs/dbraw/zinc/32/87/01/479328701.db2.gz PFDIIZXSFRFTJC-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611268469 479330635 /nfs/dbraw/zinc/33/06/35/479330635.db2.gz SWMNTISLJRXIMX-PKOBYXMFSA-N 1 0 347.459 2.749 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273908 479333389 /nfs/dbraw/zinc/33/33/89/479333389.db2.gz WPFIBTWCQULORW-HNNXBMFYSA-N 1 0 349.431 2.672 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558251 479338883 /nfs/dbraw/zinc/33/88/83/479338883.db2.gz PMBLQXDAPWRYNU-HNNXBMFYSA-N 1 0 329.404 2.806 20 5 EFBDRO CCOc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611296550 479340481 /nfs/dbraw/zinc/34/04/81/479340481.db2.gz ZBJQKNAWNIIVKG-MRXNPFEDSA-N 1 0 349.431 2.685 20 5 EFBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599585663 479341179 /nfs/dbraw/zinc/34/11/79/479341179.db2.gz GEFUXDJQHDLTDT-JOYOIKCWSA-N 1 0 346.309 2.586 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000593448656 479344826 /nfs/dbraw/zinc/34/48/26/479344826.db2.gz UWBDVBKMSJAFMQ-MRXNPFEDSA-N 1 0 349.406 2.753 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000586773244 479348903 /nfs/dbraw/zinc/34/89/03/479348903.db2.gz IOXCIXNHRPZLCW-OAHLLOKOSA-N 1 0 328.368 2.909 20 5 EFBDRO CCOCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000599625485 479358328 /nfs/dbraw/zinc/35/83/28/479358328.db2.gz MCGTYVASJMHEMA-QGZVFWFLSA-N 1 0 344.415 2.817 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593481308 479360669 /nfs/dbraw/zinc/36/06/69/479360669.db2.gz JOFIHMFXKJVOLI-IUODEOHRSA-N 1 0 337.395 2.608 20 5 EFBDRO C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383428 479363214 /nfs/dbraw/zinc/36/32/14/479363214.db2.gz KHIWOZKOOAOOIQ-KXBFYZLASA-N 1 0 343.427 2.738 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000602494665 479368724 /nfs/dbraw/zinc/36/87/24/479368724.db2.gz HFFRCDSHSLJANT-CHWSQXEVSA-N 1 0 335.379 2.586 20 5 EFBDRO CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1[NH3+] ZINC000602494065 479368729 /nfs/dbraw/zinc/36/87/29/479368729.db2.gz WZZZBMPKWSGQJD-CZUORRHYSA-N 1 0 331.416 2.602 20 5 EFBDRO CC[NH+]1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602498917 479369759 /nfs/dbraw/zinc/36/97/59/479369759.db2.gz MKKCGIQAXNFQRX-UHFFFAOYSA-N 1 0 348.266 2.993 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cn1 ZINC000602505257 479371469 /nfs/dbraw/zinc/37/14/69/479371469.db2.gz YLQYXERPAHLTTB-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO C[C@H]1CN(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000602508127 479373071 /nfs/dbraw/zinc/37/30/71/479373071.db2.gz SLTVPLRWDFMELG-GJZGRUSLSA-N 1 0 335.448 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cn1 ZINC000602512666 479375770 /nfs/dbraw/zinc/37/57/70/479375770.db2.gz LTEBTJUSNIDOEM-UHFFFAOYSA-N 1 0 344.390 2.930 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCn1cccn1 ZINC000602512466 479376106 /nfs/dbraw/zinc/37/61/06/479376106.db2.gz YTABURIOOCPIPR-UHFFFAOYSA-N 1 0 328.294 2.990 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000603411357 479376607 /nfs/dbraw/zinc/37/66/07/479376607.db2.gz BDXVLWKOUOBCDR-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000602517583 479377371 /nfs/dbraw/zinc/37/73/71/479377371.db2.gz GWEZDGKYQMYSRN-UHFFFAOYSA-N 1 0 331.416 2.604 20 5 EFBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000602517621 479377497 /nfs/dbraw/zinc/37/74/97/479377497.db2.gz HVUHYBHXQMBHMA-CYBMUJFWSA-N 1 0 332.404 2.948 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCOC2)cc1Br ZINC000602518457 479379412 /nfs/dbraw/zinc/37/94/12/479379412.db2.gz NPGOOTWRSCZVIQ-MRVPVSSYSA-N 1 0 335.223 2.935 20 5 EFBDRO CC[N@@H+]1CC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520189 479379468 /nfs/dbraw/zinc/37/94/68/479379468.db2.gz KKOVXLRXTUKUCG-VIFPVBQESA-N 1 0 348.266 2.850 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602524509 479381148 /nfs/dbraw/zinc/38/11/48/479381148.db2.gz KVJHZCMUFBHBGP-CHWSQXEVSA-N 1 0 332.404 2.946 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602531756 479384673 /nfs/dbraw/zinc/38/46/73/479384673.db2.gz JGLTZKDTSOBJTK-GFCCVEGCSA-N 1 0 343.305 2.628 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000602533095 479386478 /nfs/dbraw/zinc/38/64/78/479386478.db2.gz ZAYXMFAKVZBQNK-UHFFFAOYSA-N 1 0 331.441 2.847 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588071866 479389405 /nfs/dbraw/zinc/38/94/05/479389405.db2.gz IMAJSWWHEZIDBN-TZMCWYRMSA-N 1 0 327.388 2.601 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000602544368 479390273 /nfs/dbraw/zinc/39/02/73/479390273.db2.gz ACWIHTTYNQPJRY-MRXNPFEDSA-N 1 0 339.395 2.812 20 5 EFBDRO C[C@](O)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602546984 479391012 /nfs/dbraw/zinc/39/10/12/479391012.db2.gz VTMHHTKWBIUJHH-NSHDSACASA-N 1 0 335.223 2.669 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000602545812 479391070 /nfs/dbraw/zinc/39/10/70/479391070.db2.gz PYGIGSBYSQXYHM-GFCCVEGCSA-N 1 0 329.322 2.940 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1Br ZINC000602545326 479391878 /nfs/dbraw/zinc/39/18/78/479391878.db2.gz PKGPVYAJFDJRLV-QMMMGPOBSA-N 1 0 346.250 2.745 20 5 EFBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602550674 479392926 /nfs/dbraw/zinc/39/29/26/479392926.db2.gz MKGLHDLUWRSUIV-LBPRGKRZSA-N 1 0 338.351 2.817 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602550541 479393052 /nfs/dbraw/zinc/39/30/52/479393052.db2.gz KHIDMWVHHLOSLB-NSHDSACASA-N 1 0 335.223 2.935 20 5 EFBDRO CCCC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554582 479394337 /nfs/dbraw/zinc/39/43/37/479394337.db2.gz BNOFVHDXHKZYNP-HNNXBMFYSA-N 1 0 336.436 2.753 20 5 EFBDRO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555845 479394949 /nfs/dbraw/zinc/39/49/49/479394949.db2.gz BFEYYYWHYAXZNN-CYBMUJFWSA-N 1 0 336.436 2.752 20 5 EFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602559892 479397126 /nfs/dbraw/zinc/39/71/26/479397126.db2.gz JGFCLFUMRGRDDD-GDBMZVCRSA-N 1 0 333.432 2.954 20 5 EFBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCS1 ZINC000602567082 479401182 /nfs/dbraw/zinc/40/11/82/479401182.db2.gz HLFCMWCEQSBSOQ-MRXNPFEDSA-N 1 0 336.461 2.834 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cn1 ZINC000602569807 479402170 /nfs/dbraw/zinc/40/21/70/479402170.db2.gz SJICJZIOYVXOIG-GVDBMIGSSA-N 1 0 346.431 2.506 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)CC2CC2)cc1Br ZINC000602583467 479409563 /nfs/dbraw/zinc/40/95/63/479409563.db2.gz WYPJBNQDQFBPNX-QMMMGPOBSA-N 1 0 335.223 2.669 20 5 EFBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598054 479417896 /nfs/dbraw/zinc/41/78/96/479417896.db2.gz AAIBSVQPXCLOOV-GJZGRUSLSA-N 1 0 338.367 2.525 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCCS3)CC2)cn1 ZINC000602604394 479418807 /nfs/dbraw/zinc/41/88/07/479418807.db2.gz MQIHLCJHOVIOPK-OAHLLOKOSA-N 1 0 336.461 2.834 20 5 EFBDRO [NH3+][C@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602605291 479419686 /nfs/dbraw/zinc/41/96/86/479419686.db2.gz YFBICXPPQZZJNR-XYPYZODXSA-N 1 0 343.836 2.726 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(CO)CCC2)cc1Br ZINC000602606193 479419848 /nfs/dbraw/zinc/41/98/48/479419848.db2.gz BYAYQEUHAWZWJU-UHFFFAOYSA-N 1 0 335.223 2.671 20 5 EFBDRO CO[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000602605459 479420406 /nfs/dbraw/zinc/42/04/06/479420406.db2.gz REWXUQHSGRMGRI-MRXNPFEDSA-N 1 0 342.823 2.822 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000588623167 479422918 /nfs/dbraw/zinc/42/29/18/479422918.db2.gz NAZZELYXOBSRNW-MRXNPFEDSA-N 1 0 348.447 2.653 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000602621669 479428510 /nfs/dbraw/zinc/42/85/10/479428510.db2.gz ISNOBYVEZQMJSZ-GFCCVEGCSA-N 1 0 340.305 2.915 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620697 479428898 /nfs/dbraw/zinc/42/88/98/479428898.db2.gz DGRPNYJJXBKKEF-IUCAKERBSA-N 1 0 335.223 2.668 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000611617603 479430590 /nfs/dbraw/zinc/43/05/90/479430590.db2.gz MNYOXQJCQJUILK-MRXNPFEDSA-N 1 0 342.399 2.559 20 5 EFBDRO Cc1nccc([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834296 479434871 /nfs/dbraw/zinc/43/48/71/479434871.db2.gz OQKDFMXTELTNGN-OAHLLOKOSA-N 1 0 342.399 2.952 20 5 EFBDRO Cc1nccc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834185 479435300 /nfs/dbraw/zinc/43/53/00/479435300.db2.gz KLZHDFIEEGASPI-HNNXBMFYSA-N 1 0 342.399 2.952 20 5 EFBDRO CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602629477 479435368 /nfs/dbraw/zinc/43/53/68/479435368.db2.gz HZCJJHMCUYPNHN-UHFFFAOYSA-N 1 0 332.404 2.948 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000593722642 479435622 /nfs/dbraw/zinc/43/56/22/479435622.db2.gz JHUZISAKTTUJKC-FZKQIMNGSA-N 1 0 343.427 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCc4cccnc4CC3)nc2c1 ZINC000602636476 479439327 /nfs/dbraw/zinc/43/93/27/479439327.db2.gz HQQWZKNPNLYPMF-ZDUSSCGKSA-N 1 0 337.383 2.903 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCc4cccnc4CC3)nc2c1 ZINC000602636473 479439374 /nfs/dbraw/zinc/43/93/74/479439374.db2.gz HQQWZKNPNLYPMF-CYBMUJFWSA-N 1 0 337.383 2.903 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000588806979 479443493 /nfs/dbraw/zinc/44/34/93/479443493.db2.gz SRLBZOWWSZSBSP-UHFFFAOYSA-N 1 0 326.356 2.519 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000614584051 479448822 /nfs/dbraw/zinc/44/88/22/479448822.db2.gz VBXQWRCPGFJUSN-SFHVURJKSA-N 1 0 341.342 2.830 20 5 EFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602655555 479451082 /nfs/dbraw/zinc/45/10/82/479451082.db2.gz PIQLMGWRXZAPMX-ONXXMXGDSA-N 1 0 330.388 2.793 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705815 479451159 /nfs/dbraw/zinc/45/11/59/479451159.db2.gz HQLPHRUZKDFTDN-ZDUSSCGKSA-N 1 0 329.404 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000611707645 479452304 /nfs/dbraw/zinc/45/23/04/479452304.db2.gz PJMMCWSVVMGIEF-AWEZNQCLSA-N 1 0 341.415 2.993 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593762627 479453153 /nfs/dbraw/zinc/45/31/53/479453153.db2.gz DOLZADQBYYHLHK-GUYCJALGSA-N 1 0 332.404 2.804 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602662328 479457283 /nfs/dbraw/zinc/45/72/83/479457283.db2.gz LCLIBMUWXGHMFG-UHFFFAOYSA-N 1 0 348.266 2.945 20 5 EFBDRO C[N@@H+]1CCCC12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC000611713849 479455393 /nfs/dbraw/zinc/45/53/93/479455393.db2.gz IAIIKXDKFQFDBV-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO CCOCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602662067 479457054 /nfs/dbraw/zinc/45/70/54/479457054.db2.gz CTEYQPMICGDWHK-UHFFFAOYSA-N 1 0 336.436 2.611 20 5 EFBDRO CCC(CC)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602670940 479463558 /nfs/dbraw/zinc/46/35/58/479463558.db2.gz SGVITGTYSYRHKO-UHFFFAOYSA-N 1 0 336.436 2.753 20 5 EFBDRO C[C@@H](CCO)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602670966 479464590 /nfs/dbraw/zinc/46/45/90/479464590.db2.gz GHDHUTZDDHZCEO-MRVPVSSYSA-N 1 0 337.239 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc(CCNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000602676294 479468092 /nfs/dbraw/zinc/46/80/92/479468092.db2.gz LVNPBFXJSLHBDU-IBGZPJMESA-N 1 0 341.411 2.816 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920180 479471263 /nfs/dbraw/zinc/47/12/63/479471263.db2.gz HQUXWFNYBMPUPN-BBRMVZONSA-N 1 0 334.420 2.604 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000602683488 479473543 /nfs/dbraw/zinc/47/35/43/479473543.db2.gz BYZPOIKBBGLYKU-RISCZKNCSA-N 1 0 329.322 2.750 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccs1 ZINC000589104257 479478086 /nfs/dbraw/zinc/47/80/86/479478086.db2.gz YJGQOGKTSDHIHG-SNVBAGLBSA-N 1 0 326.809 2.841 20 5 EFBDRO Cn1c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000604187838 479482408 /nfs/dbraw/zinc/48/24/08/479482408.db2.gz CZWNRHKLRRMXES-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO CCOc1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000599986780 479488520 /nfs/dbraw/zinc/48/85/20/479488520.db2.gz ZZZSBJWTZRVNMJ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2CO)n1 ZINC000618564662 479494066 /nfs/dbraw/zinc/49/40/66/479494066.db2.gz BJDRXOMGGFLQOM-JKSUJKDBSA-N 1 0 330.388 2.557 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611824589 479494735 /nfs/dbraw/zinc/49/47/35/479494735.db2.gz ROCCHGUPNFKPQR-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000611828216 479495517 /nfs/dbraw/zinc/49/55/17/479495517.db2.gz KGBREDDKPIZEHK-CYBMUJFWSA-N 1 0 336.392 2.598 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593884124 479496877 /nfs/dbraw/zinc/49/68/77/479496877.db2.gz SZJSPJKGMXTZQW-DLBZAZTESA-N 1 0 331.416 2.643 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@H]3Cc4ccccc4[C@@H]13)OCCO2 ZINC000589199353 479497604 /nfs/dbraw/zinc/49/76/04/479497604.db2.gz FPDHSHURWQXDTR-GDIGMMSISA-N 1 0 338.363 2.794 20 5 EFBDRO CCOc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575916639 479500586 /nfs/dbraw/zinc/50/05/86/479500586.db2.gz TVFIJDDVSYGZQI-HNNXBMFYSA-N 1 0 346.383 2.523 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1C ZINC000593914255 479506962 /nfs/dbraw/zinc/50/69/62/479506962.db2.gz BXNHNHOGKDKHML-RISCZKNCSA-N 1 0 335.404 2.501 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CC[NH3+] ZINC000593914482 479507038 /nfs/dbraw/zinc/50/70/38/479507038.db2.gz CGHFIYBEXHYOJG-SMDDNHRTSA-N 1 0 331.372 2.931 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4n[nH]cc43)C2)nc1 ZINC000600117553 479525351 /nfs/dbraw/zinc/52/53/51/479525351.db2.gz WVMQTDWDWHBGMX-ZDUSSCGKSA-N 1 0 338.371 2.553 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000611939919 479526551 /nfs/dbraw/zinc/52/65/51/479526551.db2.gz VUZCMBFDMXHIBT-ZDUSSCGKSA-N 1 0 328.372 2.612 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000604506158 479529141 /nfs/dbraw/zinc/52/91/41/479529141.db2.gz RWYDBOWLCJJMQI-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000604533323 479535855 /nfs/dbraw/zinc/53/58/55/479535855.db2.gz XIFKYHNNQWHFML-LBPRGKRZSA-N 1 0 331.372 2.801 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521353 479537240 /nfs/dbraw/zinc/53/72/40/479537240.db2.gz ULKZDTCYQCIEKO-CVEARBPZSA-N 1 0 338.379 2.534 20 5 EFBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602766094 479537835 /nfs/dbraw/zinc/53/78/35/479537835.db2.gz AHFVSWYXCISBRS-MRXNPFEDSA-N 1 0 344.415 2.815 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000604549988 479538602 /nfs/dbraw/zinc/53/86/02/479538602.db2.gz KZYBFTMXSICWDL-UHFFFAOYSA-N 1 0 336.436 2.517 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCOc1ccccc1C ZINC000602768313 479539413 /nfs/dbraw/zinc/53/94/13/479539413.db2.gz MVHAGMHVLWCSSA-UHFFFAOYSA-N 1 0 332.404 2.809 20 5 EFBDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602771427 479541248 /nfs/dbraw/zinc/54/12/48/479541248.db2.gz ACGKIOMDTRZJII-OAHLLOKOSA-N 1 0 330.388 2.945 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000604561765 479545064 /nfs/dbraw/zinc/54/50/64/479545064.db2.gz XFYZQZYSZDBDET-HNNXBMFYSA-N 1 0 346.431 2.772 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000602776982 479547087 /nfs/dbraw/zinc/54/70/87/479547087.db2.gz BJZNAUSWILPBLZ-OAHLLOKOSA-N 1 0 332.429 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3CO)co2)cc1 ZINC000594017360 479549785 /nfs/dbraw/zinc/54/97/85/479549785.db2.gz XAQKFSSKXJHBQC-INIZCTEOSA-N 1 0 331.372 2.987 20 5 EFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602782706 479549903 /nfs/dbraw/zinc/54/99/03/479549903.db2.gz VZNRPUKERWCGET-BMFZPTHFSA-N 1 0 336.436 2.625 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594020877 479551726 /nfs/dbraw/zinc/55/17/26/479551726.db2.gz NGHFHQWPRGZFAP-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594020667 479551741 /nfs/dbraw/zinc/55/17/41/479551741.db2.gz KRZMDRPBTMWQKQ-CQSZACIVSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602789359 479554055 /nfs/dbraw/zinc/55/40/55/479554055.db2.gz ZMDJRUOONUCENK-NVXWUHKLSA-N 1 0 349.479 2.686 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000602800357 479562197 /nfs/dbraw/zinc/56/21/97/479562197.db2.gz LQEBSOBOJDBVQS-UHFFFAOYSA-N 1 0 345.447 2.600 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000602805366 479566004 /nfs/dbraw/zinc/56/60/04/479566004.db2.gz LBHXESJSJXLRNB-DOTOQJQBSA-N 1 0 344.415 2.857 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000612059232 479566852 /nfs/dbraw/zinc/56/68/52/479566852.db2.gz DOGAVMMCWASNCA-OAHLLOKOSA-N 1 0 346.383 2.901 20 5 EFBDRO COCc1csc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000597115701 479580690 /nfs/dbraw/zinc/58/06/90/479580690.db2.gz BPKMLMVRHMHRDC-UHFFFAOYSA-N 1 0 336.417 2.836 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589939147 479584065 /nfs/dbraw/zinc/58/40/65/479584065.db2.gz ULUSQKAMMFWZLT-ZWNOBZJWSA-N 1 0 334.294 2.539 20 5 EFBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1Cl ZINC000602843074 479588185 /nfs/dbraw/zinc/58/81/85/479588185.db2.gz AFXZBOQHRXZGDO-UHFFFAOYSA-N 1 0 338.795 2.894 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847221 479589757 /nfs/dbraw/zinc/58/97/57/479589757.db2.gz JUMLRQVJVWPUSV-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590054850 479596435 /nfs/dbraw/zinc/59/64/35/479596435.db2.gz VKUXEYAXHXYPQP-LBPRGKRZSA-N 1 0 338.429 2.941 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590054849 479597378 /nfs/dbraw/zinc/59/73/78/479597378.db2.gz VKUXEYAXHXYPQP-GFCCVEGCSA-N 1 0 338.429 2.941 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CNc1cc3c(c[nH+]1)CCC3)OCCO2 ZINC000590195330 479616248 /nfs/dbraw/zinc/61/62/48/479616248.db2.gz OGRGYMCRIFUBPP-UHFFFAOYSA-N 1 0 327.340 2.862 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1COCCO1 ZINC000597205276 479619472 /nfs/dbraw/zinc/61/94/72/479619472.db2.gz IDNKOBQMMXXILW-INIZCTEOSA-N 1 0 332.356 2.702 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195114 479625390 /nfs/dbraw/zinc/62/53/90/479625390.db2.gz CCGQMLURLYMMEX-XWTMOSNGSA-N 1 0 343.427 2.831 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597217335 479625511 /nfs/dbraw/zinc/62/55/11/479625511.db2.gz CJRXOLVUMOLBRM-BETUJISGSA-N 1 0 330.340 2.896 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594196056 479626673 /nfs/dbraw/zinc/62/66/73/479626673.db2.gz KMYKXGFMCBRJPV-VUCTXSBTSA-N 1 0 349.406 2.971 20 5 EFBDRO COC1CC[NH+](CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000615245537 479635960 /nfs/dbraw/zinc/63/59/60/479635960.db2.gz DWPZPJAYUFBBAK-UHFFFAOYSA-N 1 0 349.431 2.559 20 5 EFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597240070 479638877 /nfs/dbraw/zinc/63/88/77/479638877.db2.gz NRBZUOLZBZGXJO-NVXWUHKLSA-N 1 0 336.388 2.815 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597243303 479640524 /nfs/dbraw/zinc/64/05/24/479640524.db2.gz GLPKRSVNUFEUNP-MIGQKNRLSA-N 1 0 332.400 2.847 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000590402928 479640840 /nfs/dbraw/zinc/64/08/40/479640840.db2.gz KKBUFRUMGUWORX-MFKMUULPSA-N 1 0 333.413 2.974 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)OCCO2 ZINC000615283735 479647327 /nfs/dbraw/zinc/64/73/27/479647327.db2.gz XBQIXXSHHUXHSS-INIZCTEOSA-N 1 0 348.399 2.757 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000602953727 479649105 /nfs/dbraw/zinc/64/91/05/479649105.db2.gz BWUCQSZPWPKRJD-JTQLQIEISA-N 1 0 334.401 2.673 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000612345386 479649587 /nfs/dbraw/zinc/64/95/87/479649587.db2.gz GVLSHKOSABOHIZ-UHFFFAOYSA-N 1 0 339.355 2.649 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000590595152 479665952 /nfs/dbraw/zinc/66/59/52/479665952.db2.gz YHEYWEGOGYBCLO-UHFFFAOYSA-N 1 0 347.459 2.762 20 5 EFBDRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579184484 479669614 /nfs/dbraw/zinc/66/96/14/479669614.db2.gz KCHOJUMPNWDHKE-HNNXBMFYSA-N 1 0 341.411 2.947 20 5 EFBDRO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579184485 479669871 /nfs/dbraw/zinc/66/98/71/479669871.db2.gz KCHOJUMPNWDHKE-OAHLLOKOSA-N 1 0 341.411 2.947 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](C4CCCC4)CC3)c21 ZINC000612443846 479673387 /nfs/dbraw/zinc/67/33/87/479673387.db2.gz OHMGPNJMEGELPY-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)CC1 ZINC000612451835 479674767 /nfs/dbraw/zinc/67/47/67/479674767.db2.gz RMYIYFUIUTUQLX-CQSZACIVSA-N 1 0 341.415 2.706 20 5 EFBDRO C[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612483463 479680324 /nfs/dbraw/zinc/68/03/24/479680324.db2.gz JRAVBKVTFRHLQC-VXGBXAGGSA-N 1 0 337.395 2.684 20 5 EFBDRO C[C@H](CC1CCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576124 479697767 /nfs/dbraw/zinc/69/77/67/479697767.db2.gz LXTKAQBLFDUDCP-GFCCVEGCSA-N 1 0 326.418 2.537 20 5 EFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CNc2ccnn2C1 ZINC000619265757 479739596 /nfs/dbraw/zinc/73/95/96/479739596.db2.gz VNSPJRUYGJOZFH-OAHLLOKOSA-N 1 0 329.404 2.744 20 5 EFBDRO COc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000619434412 479788831 /nfs/dbraw/zinc/78/88/31/479788831.db2.gz ZXQBVVXBMYUICZ-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000619566936 479829816 /nfs/dbraw/zinc/82/98/16/479829816.db2.gz BGDYUUFOGFHNJD-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000619574147 479832120 /nfs/dbraw/zinc/83/21/20/479832120.db2.gz UALNZYNVYPXECA-UHFFFAOYSA-N 1 0 344.415 2.527 20 5 EFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000619574170 479832474 /nfs/dbraw/zinc/83/24/74/479832474.db2.gz WVZKWHGMXBDNLI-UHFFFAOYSA-N 1 0 340.383 2.501 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000619579022 479834617 /nfs/dbraw/zinc/83/46/17/479834617.db2.gz ZEEWZBQVTNSBQD-ZDUSSCGKSA-N 1 0 339.823 2.733 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@H](c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609539896 480172560 /nfs/dbraw/zinc/17/25/60/480172560.db2.gz HEUNNJYUAUCRRD-BBRMVZONSA-N 1 0 341.367 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000609560695 480175889 /nfs/dbraw/zinc/17/58/89/480175889.db2.gz SVAPVZLVAZUEPB-UHFFFAOYSA-N 1 0 325.434 2.595 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000617350387 480179640 /nfs/dbraw/zinc/17/96/40/480179640.db2.gz USCGIIJOZZGXEB-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583640 480181057 /nfs/dbraw/zinc/18/10/57/480181057.db2.gz TXKLTVGXEGXFPV-LBPRGKRZSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000609739460 480200610 /nfs/dbraw/zinc/20/06/10/480200610.db2.gz ODUBXBQDBAYXQN-HNNXBMFYSA-N 1 0 326.400 2.916 20 5 EFBDRO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000609766416 480203336 /nfs/dbraw/zinc/20/33/36/480203336.db2.gz KJOQZBVJSKGRHT-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO CC(C)n1c(Sc2cccnc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000609797329 480207188 /nfs/dbraw/zinc/20/71/88/480207188.db2.gz KZGOALMZZNMPJT-LLVKDONJSA-N 1 0 348.432 2.780 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(O)CCCCCC1)OCCO2 ZINC000609804999 480207413 /nfs/dbraw/zinc/20/74/13/480207413.db2.gz JIZOYYPKAJEJAP-UHFFFAOYSA-N 1 0 336.388 2.541 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609833417 480211010 /nfs/dbraw/zinc/21/10/10/480211010.db2.gz HPTKJJFOZDLSIC-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000609877121 480215833 /nfs/dbraw/zinc/21/58/33/480215833.db2.gz JUNKOFWXTIIXOE-ZDUSSCGKSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609877965 480216547 /nfs/dbraw/zinc/21/65/47/480216547.db2.gz RHWSSUUPDKDQKA-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000614261280 480248075 /nfs/dbraw/zinc/24/80/75/480248075.db2.gz YZDGHAOIYAKJMI-HNNXBMFYSA-N 1 0 343.431 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCCC4)C3)nc2c1 ZINC000614261274 480248448 /nfs/dbraw/zinc/24/84/48/480248448.db2.gz VWBSWPKFFKEJFD-CQSZACIVSA-N 1 0 329.404 2.531 20 5 EFBDRO CNc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000610244727 480258595 /nfs/dbraw/zinc/25/85/95/480258595.db2.gz KDGLLAAQHRBNSR-CQSZACIVSA-N 1 0 334.420 2.583 20 5 EFBDRO CN(CC(=O)Nc1ccccc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000610290322 480273579 /nfs/dbraw/zinc/27/35/79/480273579.db2.gz OCMWDEZFWBMHJB-UHFFFAOYSA-N 1 0 342.399 2.731 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1[N+](=O)[O-] ZINC000610342234 480284295 /nfs/dbraw/zinc/28/42/95/480284295.db2.gz ALKLNQLSDNIRLK-ZIAGYGMSSA-N 1 0 327.388 2.704 20 5 EFBDRO CN(C)c1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000610367650 480291902 /nfs/dbraw/zinc/29/19/02/480291902.db2.gz OFKROEIBPJIWPD-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610485023 480318349 /nfs/dbraw/zinc/31/83/49/480318349.db2.gz WUNRCDUAXYYODD-SJLPKXTDSA-N 1 0 344.415 2.891 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000610517936 480327463 /nfs/dbraw/zinc/32/74/63/480327463.db2.gz WMPMNXXJHHPHJQ-ZDUSSCGKSA-N 1 0 327.384 2.782 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610595838 480347124 /nfs/dbraw/zinc/34/71/24/480347124.db2.gz MSPQCYJOFUIQGF-XJKSGUPXSA-N 1 0 346.431 2.748 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610715243 480371764 /nfs/dbraw/zinc/37/17/64/480371764.db2.gz RFMJYZKJJKRPRG-ZDUSSCGKSA-N 1 0 335.404 2.738 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197858 480565587 /nfs/dbraw/zinc/56/55/87/480565587.db2.gz KOWLKGQBMVXUAG-OAHLLOKOSA-N 1 0 328.368 2.956 20 5 EFBDRO CCOC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000618278378 480602514 /nfs/dbraw/zinc/60/25/14/480602514.db2.gz HQNVVGIHHRFJMC-UHFFFAOYSA-N 1 0 346.387 2.636 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000646862108 481520574 /nfs/dbraw/zinc/52/05/74/481520574.db2.gz VTRJVWVFLXSZCC-ACJLOTCBSA-N 1 0 335.407 2.576 20 5 EFBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000226363086 521609874 /nfs/dbraw/zinc/60/98/74/521609874.db2.gz BPEPCEVMIYODBX-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128955145 533816207 /nfs/dbraw/zinc/81/62/07/533816207.db2.gz BZWFHCIAJIFCID-GFCCVEGCSA-N 1 0 341.408 2.890 20 5 EFBDRO C[C@H](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184941526 533928844 /nfs/dbraw/zinc/92/88/44/533928844.db2.gz AZDSYHPWNIKFMV-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132069536 533995721 /nfs/dbraw/zinc/99/57/21/533995721.db2.gz VVVWNQZUEFBRMX-ZBFHGGJFSA-N 1 0 327.384 2.635 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153221873 534069637 /nfs/dbraw/zinc/06/96/37/534069637.db2.gz JELCRNGTGFAMAO-CHWSQXEVSA-N 1 0 333.388 2.664 20 5 EFBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171410705 534230972 /nfs/dbraw/zinc/23/09/72/534230972.db2.gz CMOWBLWCOGOTIH-TUAOUCFPSA-N 1 0 349.387 2.676 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179667512 534320656 /nfs/dbraw/zinc/32/06/56/534320656.db2.gz QMSBXAPQPSIIKI-UHFFFAOYSA-N 1 0 333.775 2.689 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000364004832 534365206 /nfs/dbraw/zinc/36/52/06/534365206.db2.gz RDGGBHIGQXSAGK-OLZOCXBDSA-N 1 0 349.406 2.755 20 5 EFBDRO CC(C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000105177226 519794541 /nfs/dbraw/zinc/79/45/41/519794541.db2.gz OCKLPPSLZQOKKT-QGZVFWFLSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000088349637 519809204 /nfs/dbraw/zinc/80/92/04/519809204.db2.gz PMFOYILVBMUGKU-GOSISDBHSA-N 1 0 345.443 2.990 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178147722 534462337 /nfs/dbraw/zinc/46/23/37/534462337.db2.gz XVKWDZINGSQJMG-MRXNPFEDSA-N 1 0 345.443 2.908 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078650308 520582549 /nfs/dbraw/zinc/58/25/49/520582549.db2.gz CFQHQMILICUQBI-CQSZACIVSA-N 1 0 334.420 2.760 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000030546981 520750986 /nfs/dbraw/zinc/75/09/86/520750986.db2.gz UTVDWALLKQYGNH-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO CCC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000089634253 520791397 /nfs/dbraw/zinc/79/13/97/520791397.db2.gz LLILCAAFOLCNJZ-IUODEOHRSA-N 1 0 328.434 2.849 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245446707 520874234 /nfs/dbraw/zinc/87/42/34/520874234.db2.gz LJWNLPZJVPXSBF-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155672302 520914530 /nfs/dbraw/zinc/91/45/30/520914530.db2.gz SQGFABWCNPDEJA-AWEZNQCLSA-N 1 0 335.404 2.631 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000245507339 521260303 /nfs/dbraw/zinc/26/03/03/521260303.db2.gz PTGLQQYDUBDHBO-YDHLFZDLSA-N 1 0 338.404 2.838 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000245507640 521260921 /nfs/dbraw/zinc/26/09/21/521260921.db2.gz QMKXIYZITLRQQT-PGUXBMHVSA-N 1 0 328.434 2.757 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245417264 521491258 /nfs/dbraw/zinc/49/12/58/521491258.db2.gz FXAAHAIXQBIVKZ-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077248694 521561521 /nfs/dbraw/zinc/56/15/21/521561521.db2.gz ARCBGXQYMVWFAA-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000078638043 521589656 /nfs/dbraw/zinc/58/96/56/521589656.db2.gz FQHIXAJCJXXULP-MRXNPFEDSA-N 1 0 344.415 2.540 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076225156 521646190 /nfs/dbraw/zinc/64/61/90/521646190.db2.gz YBSGNSJCZIFZFJ-UHFFFAOYSA-N 1 0 340.399 2.558 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000032732439 522075756 /nfs/dbraw/zinc/07/57/56/522075756.db2.gz NOOFTMHVBLKLJT-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000101629150 522124316 /nfs/dbraw/zinc/12/43/16/522124316.db2.gz VYYIDYABEZOVRK-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COC(=O)c1cnc(NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000189333331 522340746 /nfs/dbraw/zinc/34/07/46/522340746.db2.gz BBQMPPFDXABJBN-UHFFFAOYSA-N 1 0 338.408 2.697 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000261837155 522442672 /nfs/dbraw/zinc/44/26/72/522442672.db2.gz RRWNKWSSEISDKN-SSDOTTSWSA-N 1 0 330.266 2.814 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1OC(F)(F)F ZINC000157561484 522998474 /nfs/dbraw/zinc/99/84/74/522998474.db2.gz DPFBABNKEHSXOI-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154767908 523169483 /nfs/dbraw/zinc/16/94/83/523169483.db2.gz GVSCYKWRPRNYKM-CQSZACIVSA-N 1 0 337.395 2.657 20 5 EFBDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000088562284 523267766 /nfs/dbraw/zinc/26/77/66/523267766.db2.gz KWQPMJOSLALLJN-HNNXBMFYSA-N 1 0 329.404 2.522 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153873420 534708649 /nfs/dbraw/zinc/70/86/49/534708649.db2.gz VQZISGSGZNRMBD-LRDDRELGSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153873077 534709706 /nfs/dbraw/zinc/70/97/06/534709706.db2.gz VQZISGSGZNRMBD-MLGOLLRUSA-N 1 0 347.390 2.823 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000157630036 523652988 /nfs/dbraw/zinc/65/29/88/523652988.db2.gz UTULEIRSNYIOFE-INIZCTEOSA-N 1 0 327.384 2.929 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000119171530 523975172 /nfs/dbraw/zinc/97/51/72/523975172.db2.gz GEUIUSQJXSJESX-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072009957 524101823 /nfs/dbraw/zinc/10/18/23/524101823.db2.gz XHDYJWFJYDUBBS-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185265617 524135090 /nfs/dbraw/zinc/13/50/90/524135090.db2.gz QNMBRLBTQHDXFN-KGLIPLIRSA-N 1 0 349.406 2.782 20 5 EFBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245608565 524289722 /nfs/dbraw/zinc/28/97/22/524289722.db2.gz NPUJQBVMCJZASI-WMLDXEAASA-N 1 0 330.388 2.753 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000185428553 524336935 /nfs/dbraw/zinc/33/69/35/524336935.db2.gz AARIJLBZDXZKLO-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041529 524399828 /nfs/dbraw/zinc/39/98/28/524399828.db2.gz SGVBLXWESYXOIG-IRXDYDNUSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000120618641 524414445 /nfs/dbraw/zinc/41/44/45/524414445.db2.gz ZNRPDVKUMSGJCJ-OAHLLOKOSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000120178913 524676629 /nfs/dbraw/zinc/67/66/29/524676629.db2.gz URKXKYDYFDIBOH-AWEZNQCLSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000119279109 524679286 /nfs/dbraw/zinc/67/92/86/524679286.db2.gz IFRSTZDLFRWGBA-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137457162 524918565 /nfs/dbraw/zinc/91/85/65/524918565.db2.gz NQYBJGQNILBBBE-HOCLYGCPSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196396 525237687 /nfs/dbraw/zinc/23/76/87/525237687.db2.gz PSXXJDSGUXAVSI-KOLCDFICSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)CCCC2 ZINC000181924502 525376992 /nfs/dbraw/zinc/37/69/92/525376992.db2.gz DOQDQRLDGQEFDF-AWEZNQCLSA-N 1 0 341.411 2.986 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000181290492 525411766 /nfs/dbraw/zinc/41/17/66/525411766.db2.gz FICVVEBFMROPFX-SNVBAGLBSA-N 1 0 334.763 2.933 20 5 EFBDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178655930 525450770 /nfs/dbraw/zinc/45/07/70/525450770.db2.gz FNUUIYUXRAWMHQ-LLVKDONJSA-N 1 0 349.337 2.954 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000177514168 525455955 /nfs/dbraw/zinc/45/59/55/525455955.db2.gz SSUABFLSUHOGDX-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245965159 525465463 /nfs/dbraw/zinc/46/54/63/525465463.db2.gz VLDMJLLZNFTFMI-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cccc1[N+](=O)[O-] ZINC000195520585 525706171 /nfs/dbraw/zinc/70/61/71/525706171.db2.gz JIWSAUPCQFNZOS-OAHLLOKOSA-N 1 0 341.415 2.821 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185170785 525996460 /nfs/dbraw/zinc/99/64/60/525996460.db2.gz FEWKSDJUTQJXHE-JSGCOSHPSA-N 1 0 335.379 2.534 20 5 EFBDRO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000359522469 534897470 /nfs/dbraw/zinc/89/74/70/534897470.db2.gz XQQNOBMZJAJIBK-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000085621059 526058145 /nfs/dbraw/zinc/05/81/45/526058145.db2.gz IUAWNBMBTIWQPH-AWEZNQCLSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000177053564 526070880 /nfs/dbraw/zinc/07/08/80/526070880.db2.gz DJHMJBNKGOGPHN-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccnc1 ZINC000182883425 526078520 /nfs/dbraw/zinc/07/85/20/526078520.db2.gz PYESDUGSKSYHNQ-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000343624421 534908851 /nfs/dbraw/zinc/90/88/51/534908851.db2.gz WMWXSNMQEGQHEZ-ZDUSSCGKSA-N 1 0 325.796 2.852 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000342842910 534908986 /nfs/dbraw/zinc/90/89/86/534908986.db2.gz VGUCIFVNOOVLKP-UHFFFAOYSA-N 1 0 337.445 2.682 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246179461 526187670 /nfs/dbraw/zinc/18/76/70/526187670.db2.gz DAQDRXDCTOWBAR-KYOSRNDESA-N 1 0 346.387 2.799 20 5 EFBDRO CNC(=O)c1ccc(N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000355578618 536429847 /nfs/dbraw/zinc/42/98/47/536429847.db2.gz STAGKBGSSRBHHH-UHFFFAOYSA-N 1 0 336.436 2.509 20 5 EFBDRO O=C(CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000079997849 526366378 /nfs/dbraw/zinc/36/63/78/526366378.db2.gz FKERHDXLRFQWGJ-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000193776884 526614601 /nfs/dbraw/zinc/61/46/01/526614601.db2.gz DADCGALLNGLTLX-MRXNPFEDSA-N 1 0 339.395 2.847 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181478913 526693938 /nfs/dbraw/zinc/69/39/38/526693938.db2.gz BPHBIZYXBDIZPD-ZDUSSCGKSA-N 1 0 334.376 2.532 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000181478487 526694873 /nfs/dbraw/zinc/69/48/73/526694873.db2.gz DWHOMXFCPDJBQX-ZDUSSCGKSA-N 1 0 334.376 2.532 20 5 EFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000179599512 527292125 /nfs/dbraw/zinc/29/21/25/527292125.db2.gz PFLQXDWYVPOMDI-UHFFFAOYSA-N 1 0 335.791 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3ccccc3)C2)nc1 ZINC000118866411 527368067 /nfs/dbraw/zinc/36/80/67/527368067.db2.gz JEWLCRGACKLXAI-AWEZNQCLSA-N 1 0 328.372 2.555 20 5 EFBDRO Cc1nccn1CCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119136032 527394660 /nfs/dbraw/zinc/39/46/60/527394660.db2.gz WBUFKBHFYDFNIJ-UHFFFAOYSA-N 1 0 343.431 2.702 20 5 EFBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000063273132 527527857 /nfs/dbraw/zinc/52/78/57/527527857.db2.gz OYZMXLUUTGZSAV-UHFFFAOYSA-N 1 0 331.416 2.979 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000175925910 527641602 /nfs/dbraw/zinc/64/16/02/527641602.db2.gz CTIVBZWKTWALEE-UHFFFAOYSA-N 1 0 349.479 2.624 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189453488 527725714 /nfs/dbraw/zinc/72/57/14/527725714.db2.gz AQHIBSVROREJBQ-CQSZACIVSA-N 1 0 348.447 2.877 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000189398419 527781834 /nfs/dbraw/zinc/78/18/34/527781834.db2.gz IBFVSQWIPFBUMB-LZWOXQAQSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174465705 527815287 /nfs/dbraw/zinc/81/52/87/527815287.db2.gz PHCQKYFEPCSUSB-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000174344170 527836125 /nfs/dbraw/zinc/83/61/25/527836125.db2.gz CMWNKEHLQAGRIW-AWEZNQCLSA-N 1 0 333.432 2.961 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000130599543 528022624 /nfs/dbraw/zinc/02/26/24/528022624.db2.gz NQHDCIINCFUILH-ZDUSSCGKSA-N 1 0 346.431 2.869 20 5 EFBDRO CC[NH+](CC)CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181489369 528100479 /nfs/dbraw/zinc/10/04/79/528100479.db2.gz BCTQTURCUYNVNU-UHFFFAOYSA-N 1 0 349.478 2.594 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190163685 528118305 /nfs/dbraw/zinc/11/83/05/528118305.db2.gz BDNPZSZDUUDFOT-LBPRGKRZSA-N 1 0 338.408 2.699 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000176947172 528162720 /nfs/dbraw/zinc/16/27/20/528162720.db2.gz PYDLMMXSDXJRJP-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225982 528183997 /nfs/dbraw/zinc/18/39/97/528183997.db2.gz NYZARMQUQXNYTB-CQSZACIVSA-N 1 0 349.431 2.625 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000174133137 528255829 /nfs/dbraw/zinc/25/58/29/528255829.db2.gz ZCTFTFUZFMTVSL-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290030 528511173 /nfs/dbraw/zinc/51/11/73/528511173.db2.gz NOYJHXMPNXWBPF-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000132486168 528529836 /nfs/dbraw/zinc/52/98/36/528529836.db2.gz ANPJHUBEQCFRIJ-GFCCVEGCSA-N 1 0 327.812 2.954 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154192780 528598861 /nfs/dbraw/zinc/59/88/61/528598861.db2.gz PTGLQQYDUBDHBO-UMVBOHGHSA-N 1 0 338.404 2.838 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000154118864 528606898 /nfs/dbraw/zinc/60/68/98/528606898.db2.gz GMMVRNHUJXHEHW-NHYWBVRUSA-N 1 0 326.418 2.512 20 5 EFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000189804181 528993656 /nfs/dbraw/zinc/99/36/56/528993656.db2.gz LZXRDYLBIOBZCY-ZFWWWQNUSA-N 1 0 337.420 2.881 20 5 EFBDRO CC1(C)COCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178597364 529132726 /nfs/dbraw/zinc/13/27/26/529132726.db2.gz JVVSBBNCMCAICD-KRWDZBQOSA-N 1 0 347.459 2.616 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181560538 529154254 /nfs/dbraw/zinc/15/42/54/529154254.db2.gz LXHVMYDGNRFVOL-GOSISDBHSA-N 1 0 341.411 2.994 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000412298123 534943237 /nfs/dbraw/zinc/94/32/37/534943237.db2.gz FXWHBHORJMUDJL-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000412131650 534943438 /nfs/dbraw/zinc/94/34/38/534943438.db2.gz PBAMWYMJLSGFCU-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000412354545 534944092 /nfs/dbraw/zinc/94/40/92/534944092.db2.gz BNKZHZDMOIUGGE-GOSISDBHSA-N 1 0 347.415 2.550 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246812440 534944700 /nfs/dbraw/zinc/94/47/00/534944700.db2.gz ADOMFTMUMLMLTN-CABCVRRESA-N 1 0 348.447 2.995 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412158167 534949297 /nfs/dbraw/zinc/94/92/97/534949297.db2.gz HREFESFJKUAVQJ-CABCVRRESA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412158176 534951368 /nfs/dbraw/zinc/95/13/68/534951368.db2.gz HREFESFJKUAVQJ-LSDHHAIUSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000346224641 534985301 /nfs/dbraw/zinc/98/53/01/534985301.db2.gz RVZRMKZQXAPQJO-HNNXBMFYSA-N 1 0 331.420 2.897 20 5 EFBDRO CC(C)CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000265078503 535006554 /nfs/dbraw/zinc/00/65/54/535006554.db2.gz WMFVHZONFKMQPO-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352041908 535015749 /nfs/dbraw/zinc/01/57/49/535015749.db2.gz FRGHPVXZAXSGLL-QGZVFWFLSA-N 1 0 345.443 2.959 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCO[C@H]21 ZINC000344680554 535072479 /nfs/dbraw/zinc/07/24/79/535072479.db2.gz NZSPRINOBIOIDN-DJIMGWMZSA-N 1 0 348.399 2.755 20 5 EFBDRO CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000193396653 535187323 /nfs/dbraw/zinc/18/73/23/535187323.db2.gz WZIYVZULUPQSMO-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO CCC([NH3+])(CC)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414811251 535194320 /nfs/dbraw/zinc/19/43/20/535194320.db2.gz PMEZONGYRXGBLI-UHFFFAOYSA-N 1 0 331.420 2.602 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000418778978 535226572 /nfs/dbraw/zinc/22/65/72/535226572.db2.gz ARWWEZVPOZNRHO-BFHYXJOUSA-N 1 0 346.431 2.517 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342918259 535279996 /nfs/dbraw/zinc/27/99/96/535279996.db2.gz ZKVNEZIBBIGPAP-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342719990 535327750 /nfs/dbraw/zinc/32/77/50/535327750.db2.gz YLWGQYJCNMWULD-OAHLLOKOSA-N 1 0 340.445 2.879 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000359023484 535412859 /nfs/dbraw/zinc/41/28/59/535412859.db2.gz ZOKMYXFRBPUYKS-UKRRQHHQSA-N 1 0 349.431 2.903 20 5 EFBDRO CCOc1cccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000364855847 535469616 /nfs/dbraw/zinc/46/96/16/535469616.db2.gz NFVTXIMTXWIKJV-AWEZNQCLSA-N 1 0 335.404 2.659 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351630705 535496815 /nfs/dbraw/zinc/49/68/15/535496815.db2.gz QNSKJSAEGJMUPB-AWEZNQCLSA-N 1 0 339.823 2.781 20 5 EFBDRO CCN(CCC[NH+](CC)CC)c1nc2sccn2c1[N+](=O)[O-] ZINC000350704682 535507746 /nfs/dbraw/zinc/50/77/46/535507746.db2.gz XHVZRKBCCFXWTM-UHFFFAOYSA-N 1 0 325.438 2.862 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425393320 535517489 /nfs/dbraw/zinc/51/74/89/535517489.db2.gz ISDUSELYPCPADO-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360049701 535551342 /nfs/dbraw/zinc/55/13/42/535551342.db2.gz GFSXGALMCIWRRX-AWEZNQCLSA-N 1 0 339.411 2.979 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342931829 535596386 /nfs/dbraw/zinc/59/63/86/535596386.db2.gz CWVAFMMKZZPSAO-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054486 535815445 /nfs/dbraw/zinc/81/54/45/535815445.db2.gz QTHMBKLKVHZYRI-LSDHHAIUSA-N 1 0 346.387 2.770 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000352938945 535893175 /nfs/dbraw/zinc/89/31/75/535893175.db2.gz JHZDTSRRKQTRPU-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC1(C)C ZINC000419324269 535895620 /nfs/dbraw/zinc/89/56/20/535895620.db2.gz VKYFOXIXLNZGSP-STQMWFEESA-N 1 0 335.404 2.956 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344209562 535913166 /nfs/dbraw/zinc/91/31/66/535913166.db2.gz BAWJPEQDSPGLJW-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO C[NH+](C)Cc1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000433311060 536044179 /nfs/dbraw/zinc/04/41/79/536044179.db2.gz KVSSGQFVBLOLID-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357624522 536115850 /nfs/dbraw/zinc/11/58/50/536115850.db2.gz AAMUMQFZKBDUAH-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000227307120 536335411 /nfs/dbraw/zinc/33/54/11/536335411.db2.gz ZOUFJIFONFGBLW-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344718651 536350459 /nfs/dbraw/zinc/35/04/59/536350459.db2.gz PXLYWFZRAZEIRK-MRXNPFEDSA-N 1 0 349.431 2.600 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000344721274 536350723 /nfs/dbraw/zinc/35/07/23/536350723.db2.gz SAFMFKZQVBQGQY-OAHLLOKOSA-N 1 0 337.395 2.513 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000412189184 536379549 /nfs/dbraw/zinc/37/95/49/536379549.db2.gz CTEUOFMNOVASAS-BZZMCLGOSA-N 1 0 343.427 2.641 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000414639033 536405208 /nfs/dbraw/zinc/40/52/08/536405208.db2.gz DTTWTFJBVYGFAC-SSDOTTSWSA-N 1 0 330.266 2.814 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000339955467 536407041 /nfs/dbraw/zinc/40/70/41/536407041.db2.gz WFQQZLMIQNQEBB-AWEZNQCLSA-N 1 0 348.447 2.878 20 5 EFBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435368933 536418263 /nfs/dbraw/zinc/41/82/63/536418263.db2.gz CRGIRTNYHYDKPP-LBPRGKRZSA-N 1 0 331.372 2.657 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000362529642 536434166 /nfs/dbraw/zinc/43/41/66/536434166.db2.gz HPPWOHPBTCRXHF-HNNXBMFYSA-N 1 0 342.399 2.517 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000352880588 536480790 /nfs/dbraw/zinc/48/07/90/536480790.db2.gz XPUZHRKHDVHDLU-UHFFFAOYSA-N 1 0 343.358 2.690 20 5 EFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[C@H]1O ZINC000245850675 536485420 /nfs/dbraw/zinc/48/54/20/536485420.db2.gz JFSNJRFXLGMCCI-XJKSGUPXSA-N 1 0 331.372 2.843 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342136690 536586867 /nfs/dbraw/zinc/58/68/67/536586867.db2.gz RFUIILDXEBCTJU-PXAZEXFGSA-N 1 0 336.363 2.899 20 5 EFBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000412018787 536704685 /nfs/dbraw/zinc/70/46/85/536704685.db2.gz CIJMGIAYBBHHBQ-SNVBAGLBSA-N 1 0 341.795 2.734 20 5 EFBDRO COC1CCC([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414197207 536740493 /nfs/dbraw/zinc/74/04/93/536740493.db2.gz YVKJRCHYNOIPBM-BDVYOWHSSA-N 1 0 344.415 2.965 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575256 536742917 /nfs/dbraw/zinc/74/29/17/536742917.db2.gz XHICVFSDPISKIC-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419371446 536760840 /nfs/dbraw/zinc/76/08/40/536760840.db2.gz KTDKPBCDHRLTIB-YNEHKIRRSA-N 1 0 335.404 2.908 20 5 EFBDRO COCC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195810 536768392 /nfs/dbraw/zinc/76/83/92/536768392.db2.gz JKUVCOLTUUWCQA-CJNGLKHVSA-N 1 0 332.404 2.680 20 5 EFBDRO COc1cc(C[NH2+]CCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344729132 536795883 /nfs/dbraw/zinc/79/58/83/536795883.db2.gz MRBHISUMNVGUJE-UHFFFAOYSA-N 1 0 340.376 2.521 20 5 EFBDRO COc1ncccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353551241 536900916 /nfs/dbraw/zinc/90/09/16/536900916.db2.gz UYORTOLHOBWBDN-HUUCEWRRSA-N 1 0 345.403 2.511 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000754250514 575410699 /nfs/dbraw/zinc/41/06/99/575410699.db2.gz JBXPGHSXVIPXKU-BDJLRTHQSA-N 1 0 331.328 2.887 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250168 575410735 /nfs/dbraw/zinc/41/07/35/575410735.db2.gz CXAILZNDTCUMGC-ZBEGNZNMSA-N 1 0 326.356 2.855 20 5 EFBDRO C[C@@H](C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000754364011 575425133 /nfs/dbraw/zinc/42/51/33/575425133.db2.gz DZIKZIKCFWJUQS-QWHCGFSZSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000754364007 575425351 /nfs/dbraw/zinc/42/53/51/575425351.db2.gz DZIKZIKCFWJUQS-CHWSQXEVSA-N 1 0 337.395 2.828 20 5 EFBDRO COC(=O)C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000754529553 575447858 /nfs/dbraw/zinc/44/78/58/575447858.db2.gz XZJSZTDBVJVURT-OAHLLOKOSA-N 1 0 345.355 2.681 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1csc2ccccc21 ZINC000754734302 575480358 /nfs/dbraw/zinc/48/03/58/575480358.db2.gz QWYCNSORNDABMR-AAEUAGOBSA-N 1 0 346.412 2.718 20 5 EFBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000754871333 575507182 /nfs/dbraw/zinc/50/71/82/575507182.db2.gz FWYULLVZMFMTKF-UHFFFAOYSA-N 1 0 348.399 2.974 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000755733429 575625187 /nfs/dbraw/zinc/62/51/87/575625187.db2.gz RSKHPMHEIXCQTQ-UHFFFAOYSA-N 1 0 348.428 2.948 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000755762333 575629513 /nfs/dbraw/zinc/62/95/13/575629513.db2.gz DNHMFNLJAGKCCP-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000756811372 575788992 /nfs/dbraw/zinc/78/89/92/575788992.db2.gz AMWORZAFQUUROX-ZDUSSCGKSA-N 1 0 336.461 2.859 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759998065 575969790 /nfs/dbraw/zinc/96/97/90/575969790.db2.gz GQBQOXKXMGIBKQ-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO CN(C)[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000761527220 576174925 /nfs/dbraw/zinc/17/49/25/576174925.db2.gz QGRDKQXPIOLYJJ-CQSZACIVSA-N 1 0 329.853 2.775 20 5 EFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763470540 576378608 /nfs/dbraw/zinc/37/86/08/576378608.db2.gz JYBIBFQVYUAHLJ-UHFFFAOYSA-N 1 0 345.265 2.706 20 5 EFBDRO Cc1c(CONC(=[NH2+])[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000764573751 576473827 /nfs/dbraw/zinc/47/38/27/576473827.db2.gz FSNNRTKVKNPLSA-INIZCTEOSA-N 1 0 343.339 2.742 20 5 EFBDRO Cc1nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764887966 576517892 /nfs/dbraw/zinc/51/78/92/576517892.db2.gz YTTIGCVYSLCVFC-ZDUSSCGKSA-N 1 0 330.388 2.711 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765038171 576539414 /nfs/dbraw/zinc/53/94/14/576539414.db2.gz NHGXYOCCVRSYOO-HNNXBMFYSA-N 1 0 331.420 2.627 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCCC1 ZINC000765648572 577062876 /nfs/dbraw/zinc/06/28/76/577062876.db2.gz JJSBSRCIQDIOSH-ZDUSSCGKSA-N 1 0 342.399 2.747 20 5 EFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765756208 577073382 /nfs/dbraw/zinc/07/33/82/577073382.db2.gz BOUMXVSSILRKQA-CYBMUJFWSA-N 1 0 343.431 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000765848000 577082608 /nfs/dbraw/zinc/08/26/08/577082608.db2.gz DIHUZMUYDFTVMP-JKSUJKDBSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000765847997 577082649 /nfs/dbraw/zinc/08/26/49/577082649.db2.gz DIHUZMUYDFTVMP-HZPDHXFCSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNc3ccccn3)CC2)cc1 ZINC000766141958 577113909 /nfs/dbraw/zinc/11/39/09/577113909.db2.gz KVRYLFLXNSKOCL-UHFFFAOYSA-N 1 0 341.415 2.660 20 5 EFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000766427529 577148522 /nfs/dbraw/zinc/14/85/22/577148522.db2.gz FLWNBUJYSVUNEB-CQSZACIVSA-N 1 0 325.384 2.671 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000766536008 577163629 /nfs/dbraw/zinc/16/36/29/577163629.db2.gz OMLCAQIMBWIXCV-IAGOWNOFSA-N 1 0 333.432 2.967 20 5 EFBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583951 577168925 /nfs/dbraw/zinc/16/89/25/577168925.db2.gz LQTFDWBEKUQLHU-LIRRHRJNSA-N 1 0 344.459 2.636 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000768480477 577277553 /nfs/dbraw/zinc/27/75/53/577277553.db2.gz RWMIWLMXPXSSNS-SWLSCSKDSA-N 1 0 334.445 2.708 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000768480479 577277579 /nfs/dbraw/zinc/27/75/79/577277579.db2.gz RWMIWLMXPXSSNS-WFASDCNBSA-N 1 0 334.445 2.708 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C)OCCO3)o2)c([N+](=O)[O-])c1 ZINC000768633309 577290265 /nfs/dbraw/zinc/29/02/65/577290265.db2.gz LXFBIEHFVPAQRK-UHFFFAOYSA-N 1 0 348.355 2.716 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769688843 577378765 /nfs/dbraw/zinc/37/87/65/577378765.db2.gz KELRERZDYPIRBI-STQMWFEESA-N 1 0 348.447 2.663 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000769939727 577394577 /nfs/dbraw/zinc/39/45/77/577394577.db2.gz AGURYVFFSWPLNJ-WBVHZDCISA-N 1 0 344.415 2.582 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000769939724 577394586 /nfs/dbraw/zinc/39/45/86/577394586.db2.gz AGURYVFFSWPLNJ-RDJZCZTQSA-N 1 0 344.415 2.582 20 5 EFBDRO COc1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000771969588 581265763 /nfs/dbraw/zinc/26/57/63/581265763.db2.gz HPCSJKVUDVFYSF-AWEZNQCLSA-N 1 0 335.404 2.659 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000772241646 581298660 /nfs/dbraw/zinc/29/86/60/581298660.db2.gz RLILZENUNKOBCO-UHFFFAOYSA-N 1 0 332.303 2.695 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000772909693 581380296 /nfs/dbraw/zinc/38/02/96/581380296.db2.gz MLHZRSGUJWSZFB-UHFFFAOYSA-N 1 0 335.379 2.647 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)n1 ZINC000773091401 581396112 /nfs/dbraw/zinc/39/61/12/581396112.db2.gz WYAANSWCHLYMQL-LLVKDONJSA-N 1 0 332.335 2.636 20 5 EFBDRO CC[N@H+](CCC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000773271050 581412713 /nfs/dbraw/zinc/41/27/13/581412713.db2.gz HTVLTSFHILDCNL-UHFFFAOYSA-N 1 0 337.468 2.829 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000774151044 581485738 /nfs/dbraw/zinc/48/57/38/581485738.db2.gz OBIMJUWNLMENJB-GOSISDBHSA-N 1 0 339.395 2.878 20 5 EFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182874 581486633 /nfs/dbraw/zinc/48/66/33/581486633.db2.gz KBZQSOPIMQLOIT-IXDOHACOSA-N 1 0 344.415 2.907 20 5 EFBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774231977 581487681 /nfs/dbraw/zinc/48/76/81/581487681.db2.gz JZJZYMUOALHHKQ-QPSCCSFWSA-N 1 0 348.403 2.970 20 5 EFBDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774257513 581488243 /nfs/dbraw/zinc/48/82/43/581488243.db2.gz NTAMLXACZXZZOE-BRWVUGGUSA-N 1 0 344.415 2.907 20 5 EFBDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774257525 581488246 /nfs/dbraw/zinc/48/82/46/581488246.db2.gz NTAMLXACZXZZOE-IXDOHACOSA-N 1 0 344.415 2.907 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccc(F)cc2)n1 ZINC000774400030 581490821 /nfs/dbraw/zinc/49/08/21/581490821.db2.gz KURBOBFWQXPMTJ-OWCLPIDISA-N 1 0 348.378 2.737 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774490504 581492671 /nfs/dbraw/zinc/49/26/71/581492671.db2.gz YNKSYFSOTLKDKQ-IKGGRYGDSA-N 1 0 344.415 2.907 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774517801 581493043 /nfs/dbraw/zinc/49/30/43/581493043.db2.gz QKGZJGFCFVGLCY-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000774619710 581495363 /nfs/dbraw/zinc/49/53/63/581495363.db2.gz QYTMLTPNFWESBU-HIFRSBDPSA-N 1 0 344.415 2.934 20 5 EFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000774619712 581495387 /nfs/dbraw/zinc/49/53/87/581495387.db2.gz QYTMLTPNFWESBU-ZFWWWQNUSA-N 1 0 344.415 2.934 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820428789 599368757 /nfs/dbraw/zinc/36/87/57/599368757.db2.gz ZXCMJHHOQWJKRN-LBPRGKRZSA-N 1 0 338.371 2.668 20 5 EFBDRO CC(C)(F)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001754976680 1249379400 /nfs/dbraw/zinc/37/94/00/1249379400.db2.gz QWCQYVZAFVIRJV-UHFFFAOYSA-N 1 0 329.397 2.533 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000823770649 1265427166 /nfs/dbraw/zinc/42/71/66/1265427166.db2.gz WQLNAUNRVUCGMB-JTQLQIEISA-N 1 0 343.786 2.801 20 5 EFBDRO O=C1NCCCN1c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000850413855 1250473187 /nfs/dbraw/zinc/47/31/87/1250473187.db2.gz RQCASLPHQQBMKC-UHFFFAOYSA-N 1 0 346.412 2.866 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433462 1250484239 /nfs/dbraw/zinc/48/42/39/1250484239.db2.gz JQQVLZFZVFEDQD-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000850549832 1250531266 /nfs/dbraw/zinc/53/12/66/1250531266.db2.gz IJPGLCPHUVEGKS-DZGCQCFKSA-N 1 0 335.404 2.594 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2SCCS2)n1 ZINC000850559326 1250536472 /nfs/dbraw/zinc/53/64/72/1250536472.db2.gz ADMXEPILHXABJW-GHMZBOCLSA-N 1 0 328.463 2.671 20 5 EFBDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000850557743 1250536538 /nfs/dbraw/zinc/53/65/38/1250536538.db2.gz XGAFLODGJQPZIK-ZDUSSCGKSA-N 1 0 348.447 2.914 20 5 EFBDRO [NH3+]CCCCCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000701084000 1251335098 /nfs/dbraw/zinc/33/50/98/1251335098.db2.gz ZQKGIWFGMBEKAC-UHFFFAOYSA-N 1 0 344.209 2.606 20 5 EFBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000720766025 1251380911 /nfs/dbraw/zinc/38/09/11/1251380911.db2.gz GDWUODUDRSPHMZ-LBPRGKRZSA-N 1 0 328.210 2.526 20 5 EFBDRO Cc1ccc(NC/C=C/CNC(=O)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107269317 1255486183 /nfs/dbraw/zinc/48/61/83/1255486183.db2.gz NATHLMMIIHNTHS-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107276526 1255501007 /nfs/dbraw/zinc/50/10/07/1255501007.db2.gz KWWJPKDAUFRWRS-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(F)CCCC1 ZINC000996744669 1255940356 /nfs/dbraw/zinc/94/03/56/1255940356.db2.gz NWHIUBZVAHLZCH-UHFFFAOYSA-N 1 0 349.406 2.958 20 5 EFBDRO C[N@H+](CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001107513940 1256020934 /nfs/dbraw/zinc/02/09/34/1256020934.db2.gz QIFALSXZOBIUJN-FPLPWBNLSA-N 1 0 348.447 2.657 20 5 EFBDRO CCN(C(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000922476858 1266111325 /nfs/dbraw/zinc/11/13/25/1266111325.db2.gz MUQRVYFGDZMGDI-UHFFFAOYSA-N 1 0 343.383 2.746 20 5 EFBDRO CC(C)(F)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997461028 1257613458 /nfs/dbraw/zinc/61/34/58/1257613458.db2.gz OFNAJZVFCOQFLV-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO O=C(c1ccoc1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997540425 1257922286 /nfs/dbraw/zinc/92/22/86/1257922286.db2.gz PHPGVZHWHJIYGU-UHFFFAOYSA-N 1 0 349.412 2.891 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997665121 1258194243 /nfs/dbraw/zinc/19/42/43/1258194243.db2.gz YKJZCLISSRMFAW-BASWHVEKSA-N 1 0 337.445 2.951 20 5 EFBDRO O=C(c1cc[nH]c1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997798695 1258437062 /nfs/dbraw/zinc/43/70/62/1258437062.db2.gz WUYIWBRIRYLCPO-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000922563668 1266258396 /nfs/dbraw/zinc/25/83/96/1266258396.db2.gz KOHADVULQWKFCR-KRWDZBQOSA-N 1 0 334.347 2.740 20 5 EFBDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445336 1260675710 /nfs/dbraw/zinc/67/57/10/1260675710.db2.gz HEHFABPOUCZHGY-LLVKDONJSA-N 1 0 325.434 2.740 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843128441 1261163440 /nfs/dbraw/zinc/16/34/40/1261163440.db2.gz XLDKZPWLZLTVSZ-MFKMUULPSA-N 1 0 340.221 2.541 20 5 EFBDRO CC[N@H+](C)CCC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089959050 1261267127 /nfs/dbraw/zinc/26/71/27/1261267127.db2.gz UNEIEKIOWSLLSV-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923358901 1261545451 /nfs/dbraw/zinc/54/54/51/1261545451.db2.gz MIWYOYXVZXWXHM-YGRLFVJLSA-N 1 0 340.221 2.541 20 5 EFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000923427065 1261634251 /nfs/dbraw/zinc/63/42/51/1261634251.db2.gz XUHUCBYEGDWXGW-GFCCVEGCSA-N 1 0 328.210 2.541 20 5 EFBDRO [NH3+]CC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923555980 1261912730 /nfs/dbraw/zinc/91/27/30/1261912730.db2.gz YWTWRSSKDQHADJ-KBXCAEBGSA-N 1 0 327.384 2.581 20 5 EFBDRO [NH3+]CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000923555983 1261912842 /nfs/dbraw/zinc/91/28/42/1261912842.db2.gz YWTWRSSKDQHADJ-KDOFPFPSSA-N 1 0 327.384 2.581 20 5 EFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000843149514 1262877837 /nfs/dbraw/zinc/87/78/37/1262877837.db2.gz AKZUKIDWOAKMKL-CQSZACIVSA-N 1 0 331.376 2.901 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164460359 1263074855 /nfs/dbraw/zinc/07/48/55/1263074855.db2.gz BUKRNQZPEQCWDK-BDAKNGLRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000921880603 1263110493 /nfs/dbraw/zinc/11/04/93/1263110493.db2.gz KAUBZFQQUXARTP-CHWSQXEVSA-N 1 0 332.404 2.605 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002715402 1263966790 /nfs/dbraw/zinc/96/67/90/1263966790.db2.gz UQWXCVNCXNMRTI-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000730107405 1264187147 /nfs/dbraw/zinc/18/71/47/1264187147.db2.gz INHFRGZOUJEEGK-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001230034200 1264500104 /nfs/dbraw/zinc/50/01/04/1264500104.db2.gz GJFIQZOKVMPKEH-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001003474676 1264799067 /nfs/dbraw/zinc/79/90/67/1264799067.db2.gz HVKGSDVWPVMLSB-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000733274211 1265141146 /nfs/dbraw/zinc/14/11/46/1265141146.db2.gz VBDNONZFDPTGNQ-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1Br ZINC001231121170 1265143525 /nfs/dbraw/zinc/14/35/25/1265143525.db2.gz HXJUAUYABYBBQE-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000823657837 1265395753 /nfs/dbraw/zinc/39/57/53/1265395753.db2.gz VXRUCYRQRWXANH-UHFFFAOYSA-N 1 0 329.759 2.554 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000734796133 1267114982 /nfs/dbraw/zinc/11/49/82/1267114982.db2.gz PWMFHWQCLFSRSG-AWEZNQCLSA-N 1 0 325.384 2.830 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735209902 1267231436 /nfs/dbraw/zinc/23/14/36/1267231436.db2.gz CTTNRTAFSPUGGU-GOSISDBHSA-N 1 0 340.379 2.955 20 5 EFBDRO Cc1c(C[NH+]2CCC(O)(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000829053688 1268037480 /nfs/dbraw/zinc/03/74/80/1268037480.db2.gz PNNSUAIYDUSOHU-UHFFFAOYSA-N 1 0 341.411 2.868 20 5 EFBDRO CCc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000825057904 1278401564 /nfs/dbraw/zinc/40/15/64/1278401564.db2.gz RKKWEQBCDUXPBM-UHFFFAOYSA-N 1 0 330.388 2.904 20 5 EFBDRO CN(C(=O)CC1CC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005043346 1268438814 /nfs/dbraw/zinc/43/88/14/1268438814.db2.gz NMQLCXGWVJBNSA-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000739700263 1268736712 /nfs/dbraw/zinc/73/67/12/1268736712.db2.gz FLTTTXTWXPQQGQ-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO CN(C(=O)c1ccc[nH]1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005106932 1268861614 /nfs/dbraw/zinc/86/16/14/1268861614.db2.gz NZWMIESFQGAXMB-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000008169807 1269216300 /nfs/dbraw/zinc/21/63/00/1269216300.db2.gz XOAVQRSVSHIFHY-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017262 1269248749 /nfs/dbraw/zinc/24/87/49/1269248749.db2.gz MJVVJBUMDSTDSY-XQQFMLRXSA-N 1 0 336.388 2.908 20 5 EFBDRO C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017564 1269250123 /nfs/dbraw/zinc/25/01/23/1269250123.db2.gz CPOCFNYXRLIEGX-MJBXVCDLSA-N 1 0 336.388 2.778 20 5 EFBDRO C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741017562 1269250367 /nfs/dbraw/zinc/25/03/67/1269250367.db2.gz CPOCFNYXRLIEGX-MCIONIFRSA-N 1 0 336.388 2.778 20 5 EFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000737423146 1269455319 /nfs/dbraw/zinc/45/53/19/1269455319.db2.gz QIQXSPAKGYAGTR-UHFFFAOYSA-N 1 0 340.427 2.853 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC001086048828 1269675499 /nfs/dbraw/zinc/67/54/99/1269675499.db2.gz UICUQFZVYBHWLK-FZNQNYSPSA-N 1 0 329.400 2.545 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001086069554 1269767240 /nfs/dbraw/zinc/76/72/40/1269767240.db2.gz ADZWFDDPBITIHF-FZNQNYSPSA-N 1 0 343.383 2.794 20 5 EFBDRO CN1CCN(C(=O)C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000742717675 1270198944 /nfs/dbraw/zinc/19/89/44/1270198944.db2.gz GSSYPLLXOYSENJ-UHFFFAOYSA-N 1 0 347.462 2.857 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086172789 1270344726 /nfs/dbraw/zinc/34/47/26/1270344726.db2.gz LKMAEDIHURICLY-OTVXOJSOSA-N 1 0 343.383 2.794 20 5 EFBDRO CN(C(=O)C1(C)CC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005432678 1270492492 /nfs/dbraw/zinc/49/24/92/1270492492.db2.gz RQXOZUFRAVHZLQ-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CN(C(=O)C1(C)CC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005433292 1270493012 /nfs/dbraw/zinc/49/30/12/1270493012.db2.gz VMXMDZXOKSORNH-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000743330163 1270537386 /nfs/dbraw/zinc/53/73/86/1270537386.db2.gz FMHQQCIZCXRGNA-UHFFFAOYSA-N 1 0 341.411 2.858 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)n1 ZINC001171090532 1278580955 /nfs/dbraw/zinc/58/09/55/1278580955.db2.gz GJOHUXMEXVNBKJ-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480929 1278583159 /nfs/dbraw/zinc/58/31/59/1278583159.db2.gz CMWDWVDWISXYFB-NEPJUHHUSA-N 1 0 337.807 2.913 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480930 1278583678 /nfs/dbraw/zinc/58/36/78/1278583678.db2.gz CMWDWVDWISXYFB-NWDGAFQWSA-N 1 0 337.807 2.913 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001086303204 1270907964 /nfs/dbraw/zinc/90/79/64/1270907964.db2.gz ULUOUUBJYZPZRW-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC=CC1 ZINC001086330923 1271009983 /nfs/dbraw/zinc/00/99/83/1271009983.db2.gz UNWIFSVZIUVMDZ-KOMQPUFPSA-N 1 0 329.400 2.545 20 5 EFBDRO C[NH+](C)CCCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000792185482 1278626322 /nfs/dbraw/zinc/62/63/22/1278626322.db2.gz YPTHGXWMANORGL-UHFFFAOYSA-N 1 0 337.195 2.527 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCC=CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000780565583 1271469929 /nfs/dbraw/zinc/46/99/29/1271469929.db2.gz BPHUAPIHXCXKAQ-INIZCTEOSA-N 1 0 328.372 2.778 20 5 EFBDRO COc1cnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC001171094827 1278640028 /nfs/dbraw/zinc/64/00/28/1278640028.db2.gz KGSBBRMNPCJOST-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000843897222 1278643171 /nfs/dbraw/zinc/64/31/71/1278643171.db2.gz HTHWFDZQXXDKCF-NSHDSACASA-N 1 0 335.379 2.599 20 5 EFBDRO CC(C)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034575370 1272318868 /nfs/dbraw/zinc/31/88/68/1272318868.db2.gz IMQAJPJEOYUGPA-HDJSIYSDSA-N 1 0 337.395 2.860 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001034577434 1272322891 /nfs/dbraw/zinc/32/28/91/1272322891.db2.gz ICESCPUXQQSSOP-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001034591965 1272340250 /nfs/dbraw/zinc/34/02/50/1272340250.db2.gz LBWFLKYHAAJOQP-JOCQHMNTSA-N 1 0 348.428 2.815 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817701 1272402054 /nfs/dbraw/zinc/40/20/54/1272402054.db2.gz KONCAYXLUOSSNV-CYBMUJFWSA-N 1 0 330.388 2.692 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cc[nH]c1 ZINC001034650400 1272438833 /nfs/dbraw/zinc/43/88/33/1272438833.db2.gz FREOWNSSKDCFHJ-WKILWMFISA-N 1 0 342.399 2.754 20 5 EFBDRO Cc1cc(Cl)c(-n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c1 ZINC001168883268 1272483899 /nfs/dbraw/zinc/48/38/99/1272483899.db2.gz HHHXLFAFDMXQGD-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978920 1272549468 /nfs/dbraw/zinc/54/94/68/1272549468.db2.gz VJFRAKRTDQZWBZ-YJNKXOJESA-N 1 0 341.452 2.857 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001168957791 1272555539 /nfs/dbraw/zinc/55/55/39/1272555539.db2.gz ITZJQGRKJPLZIU-ZYHUDNBSSA-N 1 0 333.310 2.558 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956555 1272555691 /nfs/dbraw/zinc/55/56/91/1272555691.db2.gz BQEFZHFPMQZAAT-APIJFGDWSA-N 1 0 341.452 2.524 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168963667 1272558287 /nfs/dbraw/zinc/55/82/87/1272558287.db2.gz PLZVRSYEJIJPFV-KKUMJFAQSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965303 1272559918 /nfs/dbraw/zinc/55/99/18/1272559918.db2.gz ZKJGHVOIUHTHDZ-KKUMJFAQSA-N 1 0 341.452 2.811 20 5 EFBDRO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967518 1272559925 /nfs/dbraw/zinc/55/99/25/1272559925.db2.gz QIANFVRWSGOTMR-FUHWJXTLSA-N 1 0 347.459 2.695 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3F)CCOCC2)C1 ZINC001168966567 1272559986 /nfs/dbraw/zinc/55/99/86/1272559986.db2.gz JMWJDMYOXHGELG-LSDHHAIUSA-N 1 0 336.407 2.909 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970412 1272561363 /nfs/dbraw/zinc/56/13/63/1272561363.db2.gz HBZNIBIDYTVDGG-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)C1 ZINC001168968373 1272561468 /nfs/dbraw/zinc/56/14/68/1272561468.db2.gz YICDMNHFOMEECD-PBHICJAKSA-N 1 0 335.423 2.825 20 5 EFBDRO CN(CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168973970 1272565268 /nfs/dbraw/zinc/56/52/68/1272565268.db2.gz PRSPKRYIOCSKQQ-UONOGXRCSA-N 1 0 329.441 2.669 20 5 EFBDRO CCOC(=O)CCc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168991622 1272567964 /nfs/dbraw/zinc/56/79/64/1272567964.db2.gz IEMFPJIEYSTIKD-DLBZAZTESA-N 1 0 334.416 2.717 20 5 EFBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccc2ccccc2c1 ZINC001168991400 1272568364 /nfs/dbraw/zinc/56/83/64/1272568364.db2.gz GSBUTGZCKXYYJT-BBRMVZONSA-N 1 0 327.384 2.813 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2COc3cc(Br)ccc32)C1 ZINC001168991390 1272568805 /nfs/dbraw/zinc/56/88/05/1272568805.db2.gz GRBWBDFDSSRPEE-CDMKHQONSA-N 1 0 341.205 2.918 20 5 EFBDRO O=C1CCCCCN1c1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168997017 1272572799 /nfs/dbraw/zinc/57/27/99/1272572799.db2.gz BAHZUGILMOXSPI-HOTGVXAUSA-N 1 0 346.431 2.524 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)C1 ZINC001168997452 1272573036 /nfs/dbraw/zinc/57/30/36/1272573036.db2.gz ZLKVFSURDGYUKI-XIRDDKMYSA-N 1 0 337.851 2.949 20 5 EFBDRO O=C1CCCCCN1c1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168997020 1272573339 /nfs/dbraw/zinc/57/33/39/1272573339.db2.gz BAHZUGILMOXSPI-JKSUJKDBSA-N 1 0 346.431 2.524 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cc(O)ccc2Br)C1 ZINC001169000709 1272576953 /nfs/dbraw/zinc/57/69/53/1272576953.db2.gz AJDISHTUTACZET-JQWIXIFHSA-N 1 0 343.221 2.732 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006210 1272581796 /nfs/dbraw/zinc/58/17/96/1272581796.db2.gz WPMSWKKMKAKCPD-GRDNDAEWSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001169009340 1272582500 /nfs/dbraw/zinc/58/25/00/1272582500.db2.gz VTNXXTQXYUIQEC-LVLPYEQSSA-N 1 0 329.444 2.763 20 5 EFBDRO CCOC(=O)Cc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169010128 1272583208 /nfs/dbraw/zinc/58/32/08/1272583208.db2.gz BKVZIGQIZRTPRL-CRAIPNDOSA-N 1 0 346.427 2.596 20 5 EFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010110 1272583481 /nfs/dbraw/zinc/58/34/81/1272583481.db2.gz AZKGLYCUWGIXLN-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO CCOC(=O)Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169010131 1272583793 /nfs/dbraw/zinc/58/37/93/1272583793.db2.gz BKVZIGQIZRTPRL-YJBOKZPZSA-N 1 0 346.427 2.596 20 5 EFBDRO COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011827 1272584393 /nfs/dbraw/zinc/58/43/93/1272584393.db2.gz MPQYMDSCBNYWJM-DLBZAZTESA-N 1 0 334.416 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014024 1272584650 /nfs/dbraw/zinc/58/46/50/1272584650.db2.gz XYBOIXNFJIWCFU-SOUVJXGZSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011849 1272584707 /nfs/dbraw/zinc/58/47/07/1272584707.db2.gz MTVVVWVVGADXIA-LJISPDSOSA-N 1 0 339.436 2.516 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169011591 1272585421 /nfs/dbraw/zinc/58/54/21/1272585421.db2.gz LHZMCKLXJMWOJA-DZUCGIPZSA-N 1 0 332.400 2.668 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013123 1272585581 /nfs/dbraw/zinc/58/55/81/1272585581.db2.gz UFSSYYKDCDYKPB-TUVASFSCSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169011604 1272585603 /nfs/dbraw/zinc/58/56/03/1272585603.db2.gz LJRIWZCWLYEDLD-KGLIPLIRSA-N 1 0 339.436 2.517 20 5 EFBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169011683 1272585644 /nfs/dbraw/zinc/58/56/44/1272585644.db2.gz MDFYRLUYAJMKMX-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC001168987450 1272588552 /nfs/dbraw/zinc/58/85/52/1272588552.db2.gz IQANSEUMVOSEMB-GDLCADMTSA-N 1 0 343.221 2.518 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC2CCOCC2)C1 ZINC001168987727 1272588884 /nfs/dbraw/zinc/58/88/84/1272588884.db2.gz JUQZOQRQETXSGJ-HOCLYGCPSA-N 1 0 334.416 2.779 20 5 EFBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990641 1272590587 /nfs/dbraw/zinc/59/05/87/1272590587.db2.gz CXIJGTYADGNPES-AEFFLSMTSA-N 1 0 345.443 2.574 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(Br)cc3C2)C1 ZINC001169034520 1272597111 /nfs/dbraw/zinc/59/71/11/1272597111.db2.gz GYCFLPMZCZGWAP-ZWNOBZJWSA-N 1 0 340.221 2.648 20 5 EFBDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035492 1272599081 /nfs/dbraw/zinc/59/90/81/1272599081.db2.gz BLVFFQGSEAYJDF-KKUMJFAQSA-N 1 0 341.452 2.763 20 5 EFBDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035493 1272599561 /nfs/dbraw/zinc/59/95/61/1272599561.db2.gz BLVFFQGSEAYJDF-QLFBSQMISA-N 1 0 341.452 2.763 20 5 EFBDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035794 1272601966 /nfs/dbraw/zinc/60/19/66/1272601966.db2.gz CIKWJOZQNHAYKV-XIRDDKMYSA-N 1 0 336.432 2.978 20 5 EFBDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036982 1272602675 /nfs/dbraw/zinc/60/26/75/1272602675.db2.gz HTJRMFYOHCZOPC-YUELXQCFSA-N 1 0 334.416 2.721 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037531 1272603203 /nfs/dbraw/zinc/60/32/03/1272603203.db2.gz SBTGRBMTJJPTCE-ZNMIVQPWSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037530 1272603315 /nfs/dbraw/zinc/60/33/15/1272603315.db2.gz SBTGRBMTJJPTCE-RRFJBIMHSA-N 1 0 341.452 2.811 20 5 EFBDRO COc1ccccc1OC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039733 1272607533 /nfs/dbraw/zinc/60/75/33/1272607533.db2.gz SQMCSJXXNRVOOV-HUUCEWRRSA-N 1 0 334.416 2.984 20 5 EFBDRO CC1(C)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]12c1ccccc1OC2=O ZINC001169041062 1272611488 /nfs/dbraw/zinc/61/14/88/1272611488.db2.gz ARZYAGFKCGMWCT-KSMMKXTCSA-N 1 0 344.411 2.773 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001169045654 1272618306 /nfs/dbraw/zinc/61/83/06/1272618306.db2.gz JPCDSXIQSOUJHF-YRXWBPOGSA-N 1 0 329.444 2.638 20 5 EFBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccsc1 ZINC001169019216 1272618865 /nfs/dbraw/zinc/61/88/65/1272618865.db2.gz FSUYLAYFTBJDBC-CPUCHLNUSA-N 1 0 349.456 2.622 20 5 EFBDRO C[N@H+](Cc1cncc(Br)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025326 1272621515 /nfs/dbraw/zinc/62/15/15/1272621515.db2.gz YQBDYPCTVANBHS-MFKMUULPSA-N 1 0 328.210 2.721 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)C1 ZINC001169026470 1272623053 /nfs/dbraw/zinc/62/30/53/1272623053.db2.gz XHEBHIIZFCHCFS-HIFRSBDPSA-N 1 0 342.399 2.583 20 5 EFBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026794 1272623908 /nfs/dbraw/zinc/62/39/08/1272623908.db2.gz ODDSULRPGDRSHZ-OWCLPIDISA-N 1 0 334.416 2.984 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001169026751 1272624141 /nfs/dbraw/zinc/62/41/41/1272624141.db2.gz NTMMYOJGUSZYQP-CRAIPNDOSA-N 1 0 326.400 2.924 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C3(c4ccccc4)CC3)CC2)C1 ZINC001169045842 1272624268 /nfs/dbraw/zinc/62/42/68/1272624268.db2.gz KCNFKWBHXXPMGP-SJLPKXTDSA-N 1 0 329.444 2.739 20 5 EFBDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047055 1272625029 /nfs/dbraw/zinc/62/50/29/1272625029.db2.gz QNMHAMKUHPJIAS-GVDBMIGSSA-N 1 0 338.448 2.877 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047916 1272626418 /nfs/dbraw/zinc/62/64/18/1272626418.db2.gz SMQFMRJTCYXZEM-TUVASFSCSA-N 1 0 341.452 2.762 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169054247 1272631667 /nfs/dbraw/zinc/63/16/67/1272631667.db2.gz LHZMCKLXJMWOJA-HJWJTTGWSA-N 1 0 332.400 2.668 20 5 EFBDRO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056794 1272632089 /nfs/dbraw/zinc/63/20/89/1272632089.db2.gz SOWAWFFDLTUABG-RKVPGOIHSA-N 1 0 335.423 2.950 20 5 EFBDRO CC1(C)C[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169136749 1272696619 /nfs/dbraw/zinc/69/66/19/1272696619.db2.gz HNZMFOJNMMBBAM-LKFCYVNXSA-N 1 0 327.816 2.994 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc21 ZINC001169378814 1272878214 /nfs/dbraw/zinc/87/82/14/1272878214.db2.gz USDXJEGHIVMIGV-QMTHXVAHSA-N 1 0 325.372 2.732 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]cc1C1CC1 ZINC001169689804 1273094067 /nfs/dbraw/zinc/09/40/67/1273094067.db2.gz AGIJEXDJPPZHCS-UHFFFAOYSA-N 1 0 348.428 2.772 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c2nncn2c1 ZINC001169690511 1273094541 /nfs/dbraw/zinc/09/45/41/1273094541.db2.gz MNHSOIBUZSFBGK-CQSZACIVSA-N 1 0 338.371 2.878 20 5 EFBDRO CCOc1cc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001169708951 1273111081 /nfs/dbraw/zinc/11/10/81/1273111081.db2.gz IJABLXTWFLRYHF-UHFFFAOYSA-N 1 0 326.356 2.834 20 5 EFBDRO C[NH+](C)CCC(C)(C)Nc1nccc(Br)c1[N+](=O)[O-] ZINC001169718250 1273118473 /nfs/dbraw/zinc/11/84/73/1273118473.db2.gz JTTPKBKTDJSSBV-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1cccnc1N1CCCC1)C[NH2+]C2 ZINC001169860397 1273211959 /nfs/dbraw/zinc/21/19/59/1273211959.db2.gz JVFZMSBSOYTDBY-UHFFFAOYSA-N 1 0 339.399 2.805 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804349667 1273427348 /nfs/dbraw/zinc/42/73/48/1273427348.db2.gz PRIHIBYFCAJUPW-MRXNPFEDSA-N 1 0 347.415 2.853 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+]1CCCCC1 ZINC001109465765 1274310570 /nfs/dbraw/zinc/31/05/70/1274310570.db2.gz SOIHWWSXFOBOFG-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC(C)c1oncc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170008148 1274344144 /nfs/dbraw/zinc/34/41/44/1274344144.db2.gz DCTSTAOCLNILFP-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO Cc1cc(NCCCN(C)C(=O)C2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC001109547511 1274407389 /nfs/dbraw/zinc/40/73/89/1274407389.db2.gz COUALAPEWZFRTG-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)CO1 ZINC000844389952 1278942897 /nfs/dbraw/zinc/94/28/97/1278942897.db2.gz BJSZAGDTLSICGG-WCQYABFASA-N 1 0 339.367 2.562 20 5 EFBDRO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C(C)(C)C[NH3+] ZINC001170056450 1275368981 /nfs/dbraw/zinc/36/89/81/1275368981.db2.gz ZDLCLUWSNVOKNX-UHFFFAOYSA-N 1 0 330.388 2.742 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786849975 1275557146 /nfs/dbraw/zinc/55/71/46/1275557146.db2.gz YXJGEAVEYYLKGG-GUTXKFCHSA-N 1 0 346.431 2.654 20 5 EFBDRO O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884982 1275585245 /nfs/dbraw/zinc/58/52/45/1275585245.db2.gz VYFZQTKRUPKKGC-QGZVFWFLSA-N 1 0 348.399 2.924 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295651 1278978422 /nfs/dbraw/zinc/97/84/22/1278978422.db2.gz DCJZTPVBAUPKNT-AWEZNQCLSA-N 1 0 349.431 2.527 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294548 1278978922 /nfs/dbraw/zinc/97/89/22/1278978922.db2.gz AVEJFWWFQMELBZ-SJCJKPOMSA-N 1 0 348.374 2.997 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787533544 1275796665 /nfs/dbraw/zinc/79/66/65/1275796665.db2.gz OGYSYILKGSQMCA-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc3ccccn23)c([N+](=O)[O-])c1 ZINC001170299745 1278982103 /nfs/dbraw/zinc/98/21/03/1278982103.db2.gz WARMBGGGIOPNSV-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170299004 1278982639 /nfs/dbraw/zinc/98/26/39/1278982639.db2.gz PMZGGUPLCVOCAC-KPZWWZAWSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170323871 1279016092 /nfs/dbraw/zinc/01/60/92/1279016092.db2.gz NACQTPHHTMKIEU-GFCCVEGCSA-N 1 0 328.372 2.603 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC2Oc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170318685 1279012542 /nfs/dbraw/zinc/01/25/42/1279012542.db2.gz ROKHHYWLQATOJO-LBPRGKRZSA-N 1 0 344.367 2.922 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319620 1279013338 /nfs/dbraw/zinc/01/33/38/1279013338.db2.gz XAUHURIHRREFQX-HIFRSBDPSA-N 1 0 333.432 2.751 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319621 1279013755 /nfs/dbraw/zinc/01/37/55/1279013755.db2.gz XAUHURIHRREFQX-ZFWWWQNUSA-N 1 0 333.432 2.751 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673911 1276253573 /nfs/dbraw/zinc/25/35/73/1276253573.db2.gz YYROWRWUFUOTIM-ZJNRKIDTSA-N 1 0 329.400 2.820 20 5 EFBDRO CCOc1nccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170324656 1279016828 /nfs/dbraw/zinc/01/68/28/1279016828.db2.gz RZGCYRQAHCOMDR-LBPRGKRZSA-N 1 0 346.387 2.513 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170325586 1279016903 /nfs/dbraw/zinc/01/69/03/1279016903.db2.gz WFZYKSDOPCQJJO-SJKOYZFVSA-N 1 0 348.374 2.997 20 5 EFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788755606 1276290498 /nfs/dbraw/zinc/29/04/98/1276290498.db2.gz FYNYBPSPSJHMBH-CJNGLKHVSA-N 1 0 329.400 2.740 20 5 EFBDRO CC(C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000817909671 1276370558 /nfs/dbraw/zinc/37/05/58/1276370558.db2.gz ZFJQGSNNUGKBFL-HZMBPMFUSA-N 1 0 327.812 2.826 20 5 EFBDRO COC(=O)CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170354968 1279033100 /nfs/dbraw/zinc/03/31/00/1279033100.db2.gz SRGGCUCJRMVIFW-LBPRGKRZSA-N 1 0 336.388 2.562 20 5 EFBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818014167 1276453631 /nfs/dbraw/zinc/45/36/31/1276453631.db2.gz CICUVESQQWEIEO-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC001170893457 1276498419 /nfs/dbraw/zinc/49/84/19/1276498419.db2.gz FLOGYLJUDAOUCM-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000818340128 1276510055 /nfs/dbraw/zinc/51/00/55/1276510055.db2.gz IFPKQPMPVHYBEV-VXGBXAGGSA-N 1 0 328.210 2.717 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000818519543 1276524839 /nfs/dbraw/zinc/52/48/39/1276524839.db2.gz ZVOGGDLGNOBQKG-YMTOWFKASA-N 1 0 343.786 2.516 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2C1 ZINC000818563796 1276534900 /nfs/dbraw/zinc/53/49/00/1276534900.db2.gz RDBWKPCFVIBGLN-LLVKDONJSA-N 1 0 346.774 2.712 20 5 EFBDRO C[C@@H](COc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818965438 1276551850 /nfs/dbraw/zinc/55/18/50/1276551850.db2.gz IBRKHHTULREUDA-AWEZNQCLSA-N 1 0 343.383 2.981 20 5 EFBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991186 1276565252 /nfs/dbraw/zinc/56/52/52/1276565252.db2.gz YLOCNZCQTIJDJK-ZWKOTPCHSA-N 1 0 335.448 2.872 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000818968705 1276572694 /nfs/dbraw/zinc/57/26/94/1276572694.db2.gz FONGCAMFKJFUNX-MSOLQXFVSA-N 1 0 347.390 2.660 20 5 EFBDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974081 1276575751 /nfs/dbraw/zinc/57/57/51/1276575751.db2.gz CYGLNQGTELFJIX-FSZRXZPDSA-N 1 0 335.448 2.584 20 5 EFBDRO COc1ccccc1OCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016764 1276589695 /nfs/dbraw/zinc/58/96/95/1276589695.db2.gz ATWMNYXDACRSAE-MRXNPFEDSA-N 1 0 346.383 2.696 20 5 EFBDRO COc1ccccc1OCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018243 1276592524 /nfs/dbraw/zinc/59/25/24/1276592524.db2.gz RJOYRKKZASZCIJ-MRXNPFEDSA-N 1 0 346.383 2.696 20 5 EFBDRO CCN(C)c1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819034275 1276595259 /nfs/dbraw/zinc/59/52/59/1276595259.db2.gz ZBJWKYHDFRITQS-GOSISDBHSA-N 1 0 329.400 2.874 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000819072572 1276619837 /nfs/dbraw/zinc/61/98/37/1276619837.db2.gz FNXFVOFHSANJEB-QFBILLFUSA-N 1 0 341.411 2.887 20 5 EFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819108494 1276632671 /nfs/dbraw/zinc/63/26/71/1276632671.db2.gz FYQBPMNWVNPWMD-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H](O)C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819155792 1276633720 /nfs/dbraw/zinc/63/37/20/1276633720.db2.gz RUDNFILKKRDDQE-FNHZYXHNSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000819113056 1276634137 /nfs/dbraw/zinc/63/41/37/1276634137.db2.gz KXRIFSVPYYHLAA-SJKOYZFVSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819113924 1276636655 /nfs/dbraw/zinc/63/66/55/1276636655.db2.gz WTBDGDZYZBERGC-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000819113737 1276636699 /nfs/dbraw/zinc/63/66/99/1276636699.db2.gz UBRBRROAUYIQFF-SJCJKPOMSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819116249 1276637881 /nfs/dbraw/zinc/63/78/81/1276637881.db2.gz VAWPPRFEIVFULL-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116462 1276637947 /nfs/dbraw/zinc/63/79/47/1276637947.db2.gz YLWKOAIHFLLTMS-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO COc1ccc(O[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819117569 1276638215 /nfs/dbraw/zinc/63/82/15/1276638215.db2.gz JVSVEQWGGVRCPY-ACJLOTCBSA-N 1 0 346.383 2.694 20 5 EFBDRO CCOc1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819178905 1276658504 /nfs/dbraw/zinc/65/85/04/1276658504.db2.gz FOERSDUEGVPJBY-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO CCOc1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819179280 1276660900 /nfs/dbraw/zinc/66/09/00/1276660900.db2.gz LBSBPMLAPNJMFO-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000819196976 1276670605 /nfs/dbraw/zinc/67/06/05/1276670605.db2.gz GBEQZUIAESNKAB-TUVASFSCSA-N 1 0 340.470 2.597 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000819196973 1276670954 /nfs/dbraw/zinc/67/09/54/1276670954.db2.gz GBEQZUIAESNKAB-APIJFGDWSA-N 1 0 340.470 2.597 20 5 EFBDRO CC(C)(C)Oc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819201505 1276675892 /nfs/dbraw/zinc/67/58/92/1276675892.db2.gz QMRRBYTZRXWDMX-MRXNPFEDSA-N 1 0 345.399 2.990 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC001134806790 1287232989 /nfs/dbraw/zinc/23/29/89/1287232989.db2.gz RGUUZXKGDPCYEW-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO Cc1ccc2c(c1)nc(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)n2C ZINC000819236518 1276678191 /nfs/dbraw/zinc/67/81/91/1276678191.db2.gz JXHNNKVSULJENX-QGZVFWFLSA-N 1 0 340.383 2.613 20 5 EFBDRO Cc1ccc2c(c1)nc(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)n2C ZINC000819236614 1276678569 /nfs/dbraw/zinc/67/85/69/1276678569.db2.gz LFEUZDLNYXDMRP-KRWDZBQOSA-N 1 0 340.383 2.613 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000819236196 1276702126 /nfs/dbraw/zinc/70/21/26/1276702126.db2.gz DQPHTAFHIIQICY-JVPBZIDWSA-N 1 0 343.427 2.909 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000819307605 1276713142 /nfs/dbraw/zinc/71/31/42/1276713142.db2.gz BCUQOPSTWKGZFS-INIZCTEOSA-N 1 0 327.384 2.735 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000819266062 1276718622 /nfs/dbraw/zinc/71/86/22/1276718622.db2.gz LOFTYEDTQBTWRD-GOSISDBHSA-N 1 0 327.384 2.692 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000819267218 1276718796 /nfs/dbraw/zinc/71/87/96/1276718796.db2.gz SBTYQCDHNZQPIE-SFHVURJKSA-N 1 0 327.384 2.692 20 5 EFBDRO CCO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819267422 1276720893 /nfs/dbraw/zinc/72/08/93/1276720893.db2.gz TZXRLKTZCQICFR-ROUUACIJSA-N 1 0 330.384 2.996 20 5 EFBDRO COc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819277918 1276725111 /nfs/dbraw/zinc/72/51/11/1276725111.db2.gz PNJCZIRFEKIZPN-RCCFBDPRSA-N 1 0 328.368 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327741 1276729785 /nfs/dbraw/zinc/72/97/85/1276729785.db2.gz HBUOTRKELSTAER-RDTXWAMCSA-N 1 0 345.374 2.636 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000819342839 1276735674 /nfs/dbraw/zinc/73/56/74/1276735674.db2.gz WWSJGHAIYZVKGU-ZDUSSCGKSA-N 1 0 341.289 2.832 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000819323274 1276746942 /nfs/dbraw/zinc/74/69/42/1276746942.db2.gz YTGWGPGDIROBJR-RDJZCZTQSA-N 1 0 348.424 2.767 20 5 EFBDRO CC[C@H](C)N[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000819386747 1276767118 /nfs/dbraw/zinc/76/71/18/1276767118.db2.gz CJIHEPWWZZHQCK-XKQJLSEDSA-N 1 0 347.415 2.940 20 5 EFBDRO CC[C@H](C)N[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000819386563 1276767170 /nfs/dbraw/zinc/76/71/70/1276767170.db2.gz AXEQHCOXNIMTKN-RRQGHBQHSA-N 1 0 347.415 2.940 20 5 EFBDRO CCCCN(C)c1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819437096 1276770030 /nfs/dbraw/zinc/77/00/30/1276770030.db2.gz HYXKYIORADSBRF-KRWDZBQOSA-N 1 0 347.419 2.501 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000789513706 1276771616 /nfs/dbraw/zinc/77/16/16/1276771616.db2.gz MRRWIWQQTQHDMV-UHFFFAOYSA-N 1 0 348.399 2.913 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000923191671 1277207811 /nfs/dbraw/zinc/20/78/11/1277207811.db2.gz ZETVKRYKJSDCKG-OCCSQVGLSA-N 1 0 334.420 2.828 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncc(Cl)n2)c([N+](=O)[O-])c1 ZINC001170306604 1279028263 /nfs/dbraw/zinc/02/82/63/1279028263.db2.gz YJMANCMTCJZYQT-JTQLQIEISA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001170308786 1279029508 /nfs/dbraw/zinc/02/95/08/1279029508.db2.gz OXSQUWHEICJQMW-CYBMUJFWSA-N 1 0 330.384 2.817 20 5 EFBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001150438225 1287276709 /nfs/dbraw/zinc/27/67/09/1287276709.db2.gz BICUVXHYQXCXEK-UHFFFAOYSA-N 1 0 341.411 2.778 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000923268461 1277423716 /nfs/dbraw/zinc/42/37/16/1277423716.db2.gz WJZZUFWCRWZINX-UONOGXRCSA-N 1 0 331.416 2.568 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000923271501 1277440283 /nfs/dbraw/zinc/44/02/83/1277440283.db2.gz RQLXFTDFAIHTBD-GXTWGEPZSA-N 1 0 349.406 2.707 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923279893 1277469917 /nfs/dbraw/zinc/46/99/17/1277469917.db2.gz FTKMEZOONJVMDV-GFCCVEGCSA-N 1 0 328.210 2.671 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000790380399 1277487371 /nfs/dbraw/zinc/48/73/71/1277487371.db2.gz WNKWUSPARPOBIV-LBPRGKRZSA-N 1 0 335.404 2.516 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000790380398 1277487640 /nfs/dbraw/zinc/48/76/40/1277487640.db2.gz WNKWUSPARPOBIV-GFCCVEGCSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923289392 1277503559 /nfs/dbraw/zinc/50/35/59/1277503559.db2.gz PTUXILSYSDGMEC-GHMZBOCLSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@](C[NH3+])(NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000923296029 1277525275 /nfs/dbraw/zinc/52/52/75/1277525275.db2.gz NGDZMQIMRLBUDL-ZDUSSCGKSA-N 1 0 328.210 2.574 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000790543777 1277656587 /nfs/dbraw/zinc/65/65/87/1277656587.db2.gz RTUKONJWSNRWRW-HNNXBMFYSA-N 1 0 343.358 2.937 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000790584176 1277661638 /nfs/dbraw/zinc/66/16/38/1277661638.db2.gz QWVRLRBWCVIHTR-OJXHRBAXSA-N 1 0 331.416 2.845 20 5 EFBDRO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC000815070979 1287295266 /nfs/dbraw/zinc/29/52/66/1287295266.db2.gz BMWUPRYQQJERKM-UHFFFAOYSA-N 1 0 331.294 2.501 20 5 EFBDRO CNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC000815070139 1287297107 /nfs/dbraw/zinc/29/71/07/1287297107.db2.gz PJPWFOFCTRJYPN-UHFFFAOYSA-N 1 0 345.321 2.762 20 5 EFBDRO CN(CC[N@H+](C)Cc1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157551666 1277835862 /nfs/dbraw/zinc/83/58/62/1277835862.db2.gz PEQKJFUHXBVONB-UHFFFAOYSA-N 1 0 335.795 2.606 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170345223 1279049046 /nfs/dbraw/zinc/04/90/46/1279049046.db2.gz IEKOOFHIBDSEFG-HOCLYGCPSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cc(C)nn2C)c([N+](=O)[O-])c1 ZINC001170347892 1279055602 /nfs/dbraw/zinc/05/56/02/1279055602.db2.gz SUWKQXHEBSNHTN-ZDUSSCGKSA-N 1 0 332.404 2.708 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000844640981 1279161105 /nfs/dbraw/zinc/16/11/05/1279161105.db2.gz MJIFAWMORSHVFH-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844643573 1279162672 /nfs/dbraw/zinc/16/26/72/1279162672.db2.gz UKHXVMXIVFHXSC-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)ccc1[N+](=O)[O-] ZINC000793304561 1279515332 /nfs/dbraw/zinc/51/53/32/1279515332.db2.gz WDOXZPNWFFAKSE-INIZCTEOSA-N 1 0 347.415 2.808 20 5 EFBDRO CS[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000845509350 1279691858 /nfs/dbraw/zinc/69/18/58/1279691858.db2.gz DRMMNCUWMGEBHS-OLZOCXBDSA-N 1 0 333.816 2.869 20 5 EFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000845674678 1279760922 /nfs/dbraw/zinc/76/09/22/1279760922.db2.gz NQELQOIXGLADOG-AWEZNQCLSA-N 1 0 347.415 2.836 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845730679 1279803849 /nfs/dbraw/zinc/80/38/49/1279803849.db2.gz SIRHDZXZFXAEAH-HNNXBMFYSA-N 1 0 348.399 2.974 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793787659 1279869689 /nfs/dbraw/zinc/86/96/89/1279869689.db2.gz DUNOPHKUIDSDNV-CYBMUJFWSA-N 1 0 347.444 2.886 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000793934850 1279949546 /nfs/dbraw/zinc/94/95/46/1279949546.db2.gz YZCFJKRVFLEWLK-CABCVRRESA-N 1 0 331.416 2.544 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000872018556 1287401453 /nfs/dbraw/zinc/40/14/53/1287401453.db2.gz OCVBVODZVMMWGE-LLVKDONJSA-N 1 0 337.445 2.978 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000872021370 1287402313 /nfs/dbraw/zinc/40/23/13/1287402313.db2.gz CGZVKUROHOGFJP-QWHCGFSZSA-N 1 0 339.461 2.688 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000804432040 1280208901 /nfs/dbraw/zinc/20/89/01/1280208901.db2.gz OJQWSKHJKLRDQI-UHFFFAOYSA-N 1 0 348.790 2.978 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000804442670 1280222808 /nfs/dbraw/zinc/22/28/08/1280222808.db2.gz IVUAZDGNZIUIEP-JXMROGBWSA-N 1 0 331.416 2.942 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000804524109 1280264585 /nfs/dbraw/zinc/26/45/85/1280264585.db2.gz KDTMYHXXNUUBIU-OCCSQVGLSA-N 1 0 335.379 2.741 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1 ZINC000872046960 1287410317 /nfs/dbraw/zinc/41/03/17/1287410317.db2.gz AFGCFJMWCFOLPM-NHYWBVRUSA-N 1 0 340.445 2.755 20 5 EFBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872052615 1287412458 /nfs/dbraw/zinc/41/24/58/1287412458.db2.gz DLUMRWOXICFTJW-SNVBAGLBSA-N 1 0 325.434 2.740 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000815288177 1287412972 /nfs/dbraw/zinc/41/29/72/1287412972.db2.gz QOWVEQPBQZYIBY-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO O=C(Cc1cccc(F)c1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175379423 1287414851 /nfs/dbraw/zinc/41/48/51/1287414851.db2.gz PARUQDJXYPMIEX-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO CO[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOC1 ZINC000872062385 1287416534 /nfs/dbraw/zinc/41/65/34/1287416534.db2.gz MKPOGKSWFJNLKL-IAQYHMDHSA-N 1 0 326.418 2.773 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000872066089 1287417542 /nfs/dbraw/zinc/41/75/42/1287417542.db2.gz DMMQBQGLMUOVHW-RWSFTLGLSA-N 1 0 326.418 2.507 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC001129965176 1280379629 /nfs/dbraw/zinc/37/96/29/1280379629.db2.gz RPJKRGCZPWPHNN-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001129965232 1280380357 /nfs/dbraw/zinc/38/03/57/1280380357.db2.gz UMUVDRVBHRISMK-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO O=C(CCCc1ccsc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129967351 1280383094 /nfs/dbraw/zinc/38/30/94/1280383094.db2.gz BQQJMYTYPQBGSN-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)OCCO ZINC000872073178 1287420124 /nfs/dbraw/zinc/42/01/24/1287420124.db2.gz OBKCXFDSIGVGBO-LLVKDONJSA-N 1 0 328.434 2.755 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000846695531 1280423448 /nfs/dbraw/zinc/42/34/48/1280423448.db2.gz LJTCESMMDUNVGT-UHFFFAOYSA-N 1 0 343.786 2.517 20 5 EFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000805182599 1280472558 /nfs/dbraw/zinc/47/25/58/1280472558.db2.gz MZOABORPAQFLHM-OAHLLOKOSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001091395468 1280480785 /nfs/dbraw/zinc/48/07/85/1280480785.db2.gz NQQDQURYHAPAKQ-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000806589248 1281111497 /nfs/dbraw/zinc/11/14/97/1281111497.db2.gz LTYOCPNHTYFNHC-WFASDCNBSA-N 1 0 334.445 2.850 20 5 EFBDRO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147490557 1281196469 /nfs/dbraw/zinc/19/64/69/1281196469.db2.gz OAXNFCRUEBLQAA-GDNBJRDFSA-N 1 0 343.427 2.985 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 ZINC001130928357 1281301316 /nfs/dbraw/zinc/30/13/16/1281301316.db2.gz GMFBKTTYPPLSBU-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO CCOC(=O)c1ccc(-n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001171324345 1281466447 /nfs/dbraw/zinc/46/64/47/1281466447.db2.gz YPQAYRFQXSBPDK-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000807962699 1281480594 /nfs/dbraw/zinc/48/05/94/1281480594.db2.gz NTFWMXUXQNXTBS-UHFFFAOYSA-N 1 0 347.415 2.854 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CCc1ccccc1)CC[NH+](C)C ZINC000807991378 1281485823 /nfs/dbraw/zinc/48/58/23/1281485823.db2.gz MBKPYYAOAYKOOY-UHFFFAOYSA-N 1 0 345.447 2.730 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158264468 1281554044 /nfs/dbraw/zinc/55/40/44/1281554044.db2.gz BPXPPIUZCFFEMI-ZBEGNZNMSA-N 1 0 337.424 2.657 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148510714 1281574964 /nfs/dbraw/zinc/57/49/64/1281574964.db2.gz DKFJNKJWSFBDMK-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000808189839 1281580386 /nfs/dbraw/zinc/58/03/86/1281580386.db2.gz BDQVBYPKIXNMSG-RHSMWYFYSA-N 1 0 343.431 2.769 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000809105565 1282034639 /nfs/dbraw/zinc/03/46/39/1282034639.db2.gz QVWXOQKSNOHUCO-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000809354102 1282170967 /nfs/dbraw/zinc/17/09/67/1282170967.db2.gz CNBDCBCTOODNRF-LBPRGKRZSA-N 1 0 341.358 2.691 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000809356015 1282172984 /nfs/dbraw/zinc/17/29/84/1282172984.db2.gz XULBJRKBNIHAHN-GFCCVEGCSA-N 1 0 341.358 2.691 20 5 EFBDRO [NH3+]CCN(Cc1occc1Br)c1ccccc1[N+](=O)[O-] ZINC000809728281 1282408448 /nfs/dbraw/zinc/40/84/48/1282408448.db2.gz QYCDLEBVLZHFFG-UHFFFAOYSA-N 1 0 340.177 2.916 20 5 EFBDRO Cc1cccn2c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cnc12 ZINC000809734445 1282413644 /nfs/dbraw/zinc/41/36/44/1282413644.db2.gz GTMGHTLHWIFJJO-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO [NH3+]CCN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000809736307 1282426420 /nfs/dbraw/zinc/42/64/20/1282426420.db2.gz OJDJSVRQSLYYQB-UHFFFAOYSA-N 1 0 332.429 2.895 20 5 EFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809778238 1282479116 /nfs/dbraw/zinc/47/91/16/1282479116.db2.gz NGHDVKGUGVFYEY-CYBMUJFWSA-N 1 0 339.823 2.986 20 5 EFBDRO Cc1cccc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001131969519 1282690381 /nfs/dbraw/zinc/69/03/81/1282690381.db2.gz MARQXASCTWRNTI-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815555660 1287594893 /nfs/dbraw/zinc/59/48/93/1287594893.db2.gz DZAQTTMQFVHBHN-GFCCVEGCSA-N 1 0 331.372 2.915 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074715 1282810850 /nfs/dbraw/zinc/81/08/50/1282810850.db2.gz VMVKQPTZBHBXKM-UHFFFAOYSA-N 1 0 335.404 2.688 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564683 1287598552 /nfs/dbraw/zinc/59/85/52/1287598552.db2.gz POFAMNULKXVMMV-UKRRQHHQSA-N 1 0 329.400 2.679 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579724 1287610645 /nfs/dbraw/zinc/61/06/45/1287610645.db2.gz SZYIFDRPRIJINZ-GFCCVEGCSA-N 1 0 328.372 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCCC3)CC2)cc1 ZINC000810259610 1283078071 /nfs/dbraw/zinc/07/80/71/1283078071.db2.gz NFYSXBFYEJXSFA-SFHVURJKSA-N 1 0 333.432 2.704 20 5 EFBDRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589386 1287617941 /nfs/dbraw/zinc/61/79/41/1287617941.db2.gz QNXVGOPOCZIDAY-VIFPVBQESA-N 1 0 343.309 2.787 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596828 1287625971 /nfs/dbraw/zinc/62/59/71/1287625971.db2.gz FMJJZCHYNIZVRD-TZMCWYRMSA-N 1 0 335.404 2.556 20 5 EFBDRO CN(C)c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171395204 1283253193 /nfs/dbraw/zinc/25/31/93/1283253193.db2.gz ZAMGNZBBUPSQIC-CYBMUJFWSA-N 1 0 328.372 2.519 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171400940 1283407703 /nfs/dbraw/zinc/40/77/03/1283407703.db2.gz PYNLZARXLGOYDW-CYBMUJFWSA-N 1 0 329.356 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCOCC4)CC3)sc2c1 ZINC000747620761 1283444329 /nfs/dbraw/zinc/44/43/29/1283444329.db2.gz MAYRFLXPNSQZJC-UHFFFAOYSA-N 1 0 348.428 2.506 20 5 EFBDRO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815622712 1287644613 /nfs/dbraw/zinc/64/46/13/1287644613.db2.gz CPZIOXVUUXXOBF-BBRMVZONSA-N 1 0 329.400 2.821 20 5 EFBDRO CCOc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810848947 1283701031 /nfs/dbraw/zinc/70/10/31/1283701031.db2.gz XTZHBDVIFMXQKA-KBPBESRZSA-N 1 0 334.372 2.777 20 5 EFBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170626528 1284040750 /nfs/dbraw/zinc/04/07/50/1284040750.db2.gz FRSGAOIAJUYXKX-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132697351 1284158188 /nfs/dbraw/zinc/15/81/88/1284158188.db2.gz PFZMCQLZPTWWJF-UHFFFAOYSA-N 1 0 330.388 2.566 20 5 EFBDRO Cc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C(C)C ZINC001132721751 1284179577 /nfs/dbraw/zinc/17/95/77/1284179577.db2.gz BDTRLIXXBXKFCY-UHFFFAOYSA-N 1 0 344.415 2.805 20 5 EFBDRO COc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc1[N+](=O)[O-] ZINC001170630296 1284189795 /nfs/dbraw/zinc/18/97/95/1284189795.db2.gz OTKODYSXJCTFBD-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811487504 1284346662 /nfs/dbraw/zinc/34/66/62/1284346662.db2.gz ZAZBIOQKGSSPDS-SNVBAGLBSA-N 1 0 348.230 2.712 20 5 EFBDRO CC[N@H+](C[C@H](C)OC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000812302375 1285067600 /nfs/dbraw/zinc/06/76/00/1285067600.db2.gz BRWIABHEIWSQJY-JTQLQIEISA-N 1 0 326.784 2.912 20 5 EFBDRO CC[N@H+](C[C@@H](C)OC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000812302382 1285067902 /nfs/dbraw/zinc/06/79/02/1285067902.db2.gz BRWIABHEIWSQJY-SNVBAGLBSA-N 1 0 326.784 2.912 20 5 EFBDRO O=C(CCCC[NH+]1CCCC1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094467835 1285094683 /nfs/dbraw/zinc/09/46/83/1285094683.db2.gz LFUAHULBEYFXAS-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001094455545 1285126642 /nfs/dbraw/zinc/12/66/42/1285126642.db2.gz VIHRHYRSYHRGBJ-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO Cc1ccc(C)c(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001133300196 1285150049 /nfs/dbraw/zinc/15/00/49/1285150049.db2.gz OYCTYELAYJMCHX-UHFFFAOYSA-N 1 0 347.440 2.722 20 5 EFBDRO Cc1ccc(C)c(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001133300166 1285150458 /nfs/dbraw/zinc/15/04/58/1285150458.db2.gz NOZNZMLDWAYKSQ-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001094541055 1285273053 /nfs/dbraw/zinc/27/30/53/1285273053.db2.gz DBVATEDYZCQSOS-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO Cc1cc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094700310 1285505806 /nfs/dbraw/zinc/50/58/06/1285505806.db2.gz JNZUZGUFEDOVBQ-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NC1CCN(c3cccnc3)CC1)C[NH2+]C2 ZINC001171474625 1285588940 /nfs/dbraw/zinc/58/89/40/1285588940.db2.gz YIEBGVPJCOJDRY-UHFFFAOYSA-N 1 0 339.399 2.674 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1Cl ZINC001171672806 1285706575 /nfs/dbraw/zinc/70/65/75/1285706575.db2.gz CJIFVQQNYSTLLX-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001171677785 1285711199 /nfs/dbraw/zinc/71/11/99/1285711199.db2.gz PBCZFEGQHKPKNU-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO COc1ccsc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171770616 1285777175 /nfs/dbraw/zinc/77/71/75/1285777175.db2.gz VHBXGMRYXIMUCL-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2occc2s1 ZINC001133770988 1285904743 /nfs/dbraw/zinc/90/47/43/1285904743.db2.gz JFKOXPDCJPVXOV-UHFFFAOYSA-N 1 0 345.380 2.922 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001171922780 1285922498 /nfs/dbraw/zinc/92/24/98/1285922498.db2.gz JKKZIPAWQDBGAH-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110165071 1286005962 /nfs/dbraw/zinc/00/59/62/1286005962.db2.gz YRXDRTYEYLKNKS-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000813613118 1286023553 /nfs/dbraw/zinc/02/35/53/1286023553.db2.gz BGUGPMXCQCZJTG-SECBINFHSA-N 1 0 329.784 2.644 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)C2)C1 ZINC000813636206 1286032641 /nfs/dbraw/zinc/03/26/41/1286032641.db2.gz QJIPWNHAXHBGGH-HNNXBMFYSA-N 1 0 327.331 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1ccncc1)CC2 ZINC001172902942 1286307432 /nfs/dbraw/zinc/30/74/32/1286307432.db2.gz NJBKVWIXLYDHIZ-AEFFLSMTSA-N 1 0 327.384 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCOc1cccnc1)CC2 ZINC001172902289 1286307640 /nfs/dbraw/zinc/30/76/40/1286307640.db2.gz WWGQSOGYGMEQBQ-MRXNPFEDSA-N 1 0 327.384 2.906 20 5 EFBDRO Cc1noc(C2([NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172905134 1286308385 /nfs/dbraw/zinc/30/83/85/1286308385.db2.gz QNIJGZQIWJFADF-CQSZACIVSA-N 1 0 328.372 2.813 20 5 EFBDRO [NH3+][C@H]1CCc2nn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc2C1 ZINC001172899505 1286326342 /nfs/dbraw/zinc/32/63/42/1286326342.db2.gz ACXGLYCGWSUYBH-HOTGVXAUSA-N 1 0 326.400 2.727 20 5 EFBDRO CCOC(=O)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916904 1286327371 /nfs/dbraw/zinc/32/73/71/1286327371.db2.gz UTKKBOLLPJEUHC-INIZCTEOSA-N 1 0 347.415 2.616 20 5 EFBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172920598 1286328984 /nfs/dbraw/zinc/32/89/84/1286328984.db2.gz KWABVKQNYHSKAD-DZJNRPSUSA-N 1 0 344.411 2.583 20 5 EFBDRO Cn1ncc2c1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922524 1286330444 /nfs/dbraw/zinc/33/04/44/1286330444.db2.gz YIANSNYPFKLELN-INIZCTEOSA-N 1 0 326.400 2.634 20 5 EFBDRO COC(=O)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912050 1286353065 /nfs/dbraw/zinc/35/30/65/1286353065.db2.gz ICPMEBWYYGFIPI-CJNGLKHVSA-N 1 0 332.400 2.727 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2cc[nH]c21 ZINC001134151209 1286381348 /nfs/dbraw/zinc/38/13/48/1286381348.db2.gz VRBJYMUOGSKASR-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCCOC3)CC2)c(F)c1 ZINC001173008066 1286381818 /nfs/dbraw/zinc/38/18/18/1286381818.db2.gz LCCAMWQQHZPUFE-LBPRGKRZSA-N 1 0 341.358 2.610 20 5 EFBDRO CCC[C@@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008422 1286382144 /nfs/dbraw/zinc/38/21/44/1286382144.db2.gz YKWJOYWRVRUMKN-LBPRGKRZSA-N 1 0 343.374 2.592 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CSC3)CC2)c(F)c1 ZINC001173010303 1286382537 /nfs/dbraw/zinc/38/25/37/1286382537.db2.gz FSZLRHYUJVQJBQ-UHFFFAOYSA-N 1 0 329.372 2.547 20 5 EFBDRO CC(C)(CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012691 1286383502 /nfs/dbraw/zinc/38/35/02/1286383502.db2.gz VWMSGWWLUOKWNU-UHFFFAOYSA-N 1 0 343.374 2.592 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001134189205 1286435522 /nfs/dbraw/zinc/43/55/22/1286435522.db2.gz BKRZXYMDUAZWAI-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnc(C)cn2)c1F ZINC001173174914 1286450995 /nfs/dbraw/zinc/45/09/95/1286450995.db2.gz GATOYPXDJLYDTF-SNVBAGLBSA-N 1 0 334.351 2.562 20 5 EFBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174977 1286451496 /nfs/dbraw/zinc/45/14/96/1286451496.db2.gz HRMIIFVMWZMKMX-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1F ZINC001173175526 1286451595 /nfs/dbraw/zinc/45/15/95/1286451595.db2.gz OXGOKKRGSFOAMQ-GXFFZTMASA-N 1 0 338.335 2.590 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c1F ZINC001173175557 1286451640 /nfs/dbraw/zinc/45/16/40/1286451640.db2.gz PHCSLCSISZEJML-WBMJQRKESA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)C(C)(C)O)c1F ZINC001173177517 1286452471 /nfs/dbraw/zinc/45/24/71/1286452471.db2.gz BMTBLAKUBLKAGG-JTQLQIEISA-N 1 0 328.384 2.813 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1F ZINC001173178930 1286453810 /nfs/dbraw/zinc/45/38/10/1286453810.db2.gz CFGTUPZVDRVQRF-SLEUVZQESA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nccnc2C)c1F ZINC001173179134 1286453902 /nfs/dbraw/zinc/45/39/02/1286453902.db2.gz JUCFNRHHBARYQX-JTQLQIEISA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2[C@@H](C)CC[C@H]2CO)c1F ZINC001173178984 1286454003 /nfs/dbraw/zinc/45/40/03/1286454003.db2.gz CNYDNQMOBKTPBE-TUAOUCFPSA-N 1 0 326.368 2.519 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CC[C@H](O)CC2)c1F ZINC001173179699 1286454607 /nfs/dbraw/zinc/45/46/07/1286454607.db2.gz GEJRMQVIPFAXLA-AVGNSLFASA-N 1 0 340.395 2.909 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCn3c(C)ncc3C2)c1F ZINC001173179716 1286454878 /nfs/dbraw/zinc/45/48/78/1286454878.db2.gz GIFSBEGOZQWGEA-LLVKDONJSA-N 1 0 348.378 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](CO)CC2)c1F ZINC001173180053 1286454968 /nfs/dbraw/zinc/45/49/68/1286454968.db2.gz ICRXHIQWTZNJMR-STQMWFEESA-N 1 0 340.395 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)c1F ZINC001173180379 1286455150 /nfs/dbraw/zinc/45/51/50/1286455150.db2.gz KFZSBMPHEKVZBI-SJCJKPOMSA-N 1 0 338.379 2.786 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)c1F ZINC001173180378 1286455164 /nfs/dbraw/zinc/45/51/64/1286455164.db2.gz KFZSBMPHEKVZBI-PXAZEXFGSA-N 1 0 338.379 2.786 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)CN2CCCC2)c1F ZINC001173179370 1286455323 /nfs/dbraw/zinc/45/53/23/1286455323.db2.gz PDBFNIUNFMXANU-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(F)ccn2)c1F ZINC001173184523 1286456037 /nfs/dbraw/zinc/45/60/37/1286456037.db2.gz QZRRRFRXTNZKRB-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(F)ccn2)c1F ZINC001173184522 1286456125 /nfs/dbraw/zinc/45/61/25/1286456125.db2.gz QZRRRFRXTNZKRB-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ccnc2CCC[NH3+])c1F ZINC001173183696 1286456330 /nfs/dbraw/zinc/45/63/30/1286456330.db2.gz IQYXCVIYWUXURD-LLVKDONJSA-N 1 0 336.367 2.634 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CCN(C)CC2)c1F ZINC001173184836 1286456353 /nfs/dbraw/zinc/45/63/53/1286456353.db2.gz PADPZSFYRONYPI-GFCCVEGCSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](OC)C2)c1F ZINC001173184533 1286456628 /nfs/dbraw/zinc/45/66/28/1286456628.db2.gz NTZHATLSVWMIBE-NWDGAFQWSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2cccnc2C[NH3+])c1F ZINC001173184500 1286456696 /nfs/dbraw/zinc/45/66/96/1286456696.db2.gz QQJSDQYFFYWBIA-JTQLQIEISA-N 1 0 334.351 2.639 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@@H](O)CC2)c1F ZINC001173190384 1286457468 /nfs/dbraw/zinc/45/74/68/1286457468.db2.gz XAAQGVRYULBVDB-UTUOFQBUSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cnccn2)c1F ZINC001173191445 1286457683 /nfs/dbraw/zinc/45/76/83/1286457683.db2.gz LGXWPRKDPXEDDJ-QWRGUYRKSA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cc3c(n2)CC[C@@H]([NH3+])C3)c1F ZINC001173189271 1286457762 /nfs/dbraw/zinc/45/77/62/1286457762.db2.gz NUODFNJDCGZZEH-ZYHUDNBSSA-N 1 0 348.378 2.559 20 5 EFBDRO CC[N@@H+]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001173191538 1286457968 /nfs/dbraw/zinc/45/79/68/1286457968.db2.gz CZSNWBIHSOVWOB-QWHCGFSZSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOC(F)(F)F)c1F ZINC001173189995 1286458076 /nfs/dbraw/zinc/45/80/76/1286458076.db2.gz SUIKSASZZXQURK-MRVPVSSYSA-N 1 0 340.273 2.800 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173215622 1286470563 /nfs/dbraw/zinc/47/05/63/1286470563.db2.gz XLWNRCJEEYGAPC-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC(F)(F)CC1 ZINC001173221377 1286475097 /nfs/dbraw/zinc/47/50/97/1286475097.db2.gz MTWFBFZZKVLHMF-ZDUSSCGKSA-N 1 0 327.375 2.847 20 5 EFBDRO CC(C)NC(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221944 1286475304 /nfs/dbraw/zinc/47/53/04/1286475304.db2.gz RFDHFBCQCIKMLL-CQSZACIVSA-N 1 0 348.447 2.698 20 5 EFBDRO O=C(CCCC(F)(F)F)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134229327 1286475655 /nfs/dbraw/zinc/47/56/55/1286475655.db2.gz GCTTXOJHLKCQRN-UHFFFAOYSA-N 1 0 333.310 2.533 20 5 EFBDRO Cc1cccc(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134231894 1286478336 /nfs/dbraw/zinc/47/83/36/1286478336.db2.gz KHEQJWVKESKGAB-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO CC(C)Oc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173225610 1286480742 /nfs/dbraw/zinc/48/07/42/1286480742.db2.gz STMWAFATPVJYNB-ZDUSSCGKSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001173226601 1286481128 /nfs/dbraw/zinc/48/11/28/1286481128.db2.gz RFOROVJCWNKELB-RDTXWAMCSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001173228812 1286482210 /nfs/dbraw/zinc/48/22/10/1286482210.db2.gz UAZPVFAMAJEMSO-AWEZNQCLSA-N 1 0 346.431 2.656 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN1CCOCC1)C(C)(C)C ZINC001173229565 1286482387 /nfs/dbraw/zinc/48/23/87/1286482387.db2.gz NNTLZZYHSXUPOB-CRAIPNDOSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229652 1286482847 /nfs/dbraw/zinc/48/28/47/1286482847.db2.gz OQCQVNXKMPKNAH-KUHUBIRLSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)C1CC[NH2+]CC1 ZINC001173232788 1286482896 /nfs/dbraw/zinc/48/28/96/1286482896.db2.gz HXIBGYSHBNHGKS-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C(=O)Nc2ccccc21 ZINC001173230637 1286482944 /nfs/dbraw/zinc/48/29/44/1286482944.db2.gz SFYUWRMKZNFEKP-WBMJQRKESA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001173232857 1286482994 /nfs/dbraw/zinc/48/29/94/1286482994.db2.gz IKQGNTDHZAVLHG-ZDUSSCGKSA-N 1 0 333.432 2.749 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001173230688 1286483191 /nfs/dbraw/zinc/48/31/91/1286483191.db2.gz UKTIZOUZJPNNQY-GFCCVEGCSA-N 1 0 325.368 2.810 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231200 1286483383 /nfs/dbraw/zinc/48/33/83/1286483383.db2.gz YMEMBFIOJFXHDK-LIRRHRJNSA-N 1 0 344.411 2.995 20 5 EFBDRO CCN(C(C)=O)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232277 1286483575 /nfs/dbraw/zinc/48/35/75/1286483575.db2.gz AFTOZWGKLMGMBC-CQSZACIVSA-N 1 0 333.432 2.859 20 5 EFBDRO CCNC(=O)OC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231106 1286483586 /nfs/dbraw/zinc/48/35/86/1286483586.db2.gz JQLGDJACHXYGBS-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001173230895 1286483591 /nfs/dbraw/zinc/48/35/91/1286483591.db2.gz WAOAZNALVPZDLJ-XJKSGUPXSA-N 1 0 329.400 2.673 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001134246470 1286483791 /nfs/dbraw/zinc/48/37/91/1286483791.db2.gz YVTJKAZRAJQQTL-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232892 1286483892 /nfs/dbraw/zinc/48/38/92/1286483892.db2.gz JAEVBWVGDNZLOL-JWDQPFGJSA-N 1 0 332.400 2.799 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCNC2=O)CC1 ZINC001173235292 1286483998 /nfs/dbraw/zinc/48/39/98/1286483998.db2.gz VVYWZCFBGMZQPN-CQSZACIVSA-N 1 0 331.416 2.518 20 5 EFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234551 1286484296 /nfs/dbraw/zinc/48/42/96/1286484296.db2.gz PJVNSSSHXUDSPN-YOEHRIQHSA-N 1 0 344.411 2.728 20 5 EFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173212650 1286486751 /nfs/dbraw/zinc/48/67/51/1286486751.db2.gz CAYNHDDSNLILAJ-CQSZACIVSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001173238989 1286497233 /nfs/dbraw/zinc/49/72/33/1286497233.db2.gz ZTMCOVWLCLXMJS-PBHICJAKSA-N 1 0 342.399 2.859 20 5 EFBDRO CCOc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001134385381 1286632218 /nfs/dbraw/zinc/63/22/18/1286632218.db2.gz VKAALSWHSMKSKP-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO Cc1cc(NC2CCN(C(=O)CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095246081 1286717067 /nfs/dbraw/zinc/71/70/67/1286717067.db2.gz CBCOHEIIEXARQS-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095261843 1286798701 /nfs/dbraw/zinc/79/87/01/1286798701.db2.gz QKZLODXHKXAPLG-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095261759 1286799485 /nfs/dbraw/zinc/79/94/85/1286799485.db2.gz LCOLCQZVZKMZOW-UHFFFAOYSA-N 1 0 348.447 2.586 20 5 EFBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001134490882 1286809114 /nfs/dbraw/zinc/80/91/14/1286809114.db2.gz FVTAYUXFFDKUSC-UHFFFAOYSA-N 1 0 347.440 2.667 20 5 EFBDRO CC(C)(CCC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N+](=O)[O-] ZINC000822834851 1289127215 /nfs/dbraw/zinc/12/72/15/1289127215.db2.gz YWMULYBNDZFQKT-UHFFFAOYSA-N 1 0 339.480 2.983 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871675078 1287202117 /nfs/dbraw/zinc/20/21/17/1287202117.db2.gz BQSWCBRHLCMGSA-CZUORRHYSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816660934 1288233550 /nfs/dbraw/zinc/23/35/50/1288233550.db2.gz VKKGSFMLFPLGCS-RDTXWAMCSA-N 1 0 333.432 2.704 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816941220 1288349717 /nfs/dbraw/zinc/34/97/17/1288349717.db2.gz ZOKWNODHVCXZOJ-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297610 1288526470 /nfs/dbraw/zinc/52/64/70/1288526470.db2.gz SZRHYMXZQVYGFL-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO Cc1nn(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817372799 1288565485 /nfs/dbraw/zinc/56/54/85/1288565485.db2.gz MIEIHIQKSRPYOM-UHFFFAOYSA-N 1 0 347.419 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000817407464 1288589589 /nfs/dbraw/zinc/58/95/89/1288589589.db2.gz PPBPGPAJUOKHBS-RTBURBONSA-N 1 0 342.395 2.656 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000817484613 1288615182 /nfs/dbraw/zinc/61/51/82/1288615182.db2.gz XUXKKJSDHGVPSA-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821545334 1288748253 /nfs/dbraw/zinc/74/82/53/1288748253.db2.gz XCFDFTGPNSGRPH-CVEARBPZSA-N 1 0 333.432 2.935 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821545337 1288748650 /nfs/dbraw/zinc/74/86/50/1288748650.db2.gz XCFDFTGPNSGRPH-JKSUJKDBSA-N 1 0 333.432 2.935 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821891720 1288824071 /nfs/dbraw/zinc/82/40/71/1288824071.db2.gz NDVZAVQOLLNANI-QZTJIDSGSA-N 1 0 343.427 2.831 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000821949367 1288843732 /nfs/dbraw/zinc/84/37/32/1288843732.db2.gz UCIGTPHXNMPGME-INIZCTEOSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822135162 1288889784 /nfs/dbraw/zinc/88/97/84/1288889784.db2.gz MEOPFQIEEUXMIM-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822143195 1288892161 /nfs/dbraw/zinc/89/21/61/1288892161.db2.gz GTTVTKZJYZEPTO-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822187616 1288902342 /nfs/dbraw/zinc/90/23/42/1288902342.db2.gz DZKXYAHEBHNKFT-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822452887 1288994496 /nfs/dbraw/zinc/99/44/96/1288994496.db2.gz FFKKKVHDUNUZJZ-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CC[N@H+](C)C1 ZINC000823499939 1289324004 /nfs/dbraw/zinc/32/40/04/1289324004.db2.gz PZFKBYYFLZNLRA-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000823660087 1289403766 /nfs/dbraw/zinc/40/37/66/1289403766.db2.gz DZRQCCTZKPTDMB-QZTJIDSGSA-N 1 0 346.427 2.909 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000823660090 1289403783 /nfs/dbraw/zinc/40/37/83/1289403783.db2.gz DZRQCCTZKPTDMB-ZWKOTPCHSA-N 1 0 346.427 2.909 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823975005 1289504983 /nfs/dbraw/zinc/50/49/83/1289504983.db2.gz YMHXEOJJSHTAQB-CYBMUJFWSA-N 1 0 349.435 2.667 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823988689 1289507688 /nfs/dbraw/zinc/50/76/88/1289507688.db2.gz ZGKWDSBXTZOYLK-ZDUSSCGKSA-N 1 0 335.408 2.515 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000824002714 1289512030 /nfs/dbraw/zinc/51/20/30/1289512030.db2.gz FNFSKBCVCRYBOO-VXGBXAGGSA-N 1 0 335.408 2.561 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824002709 1289512570 /nfs/dbraw/zinc/51/25/70/1289512570.db2.gz FMLQPABJTWHVCE-UHFFFAOYSA-N 1 0 349.435 2.811 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000873011389 1289517611 /nfs/dbraw/zinc/51/76/11/1289517611.db2.gz WTYJTPJSMMRCEE-HNNXBMFYSA-N 1 0 330.384 2.741 20 5 EFBDRO COCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873014330 1289519869 /nfs/dbraw/zinc/51/98/69/1289519869.db2.gz PODCMCBJNZEHRO-UHFFFAOYSA-N 1 0 331.372 2.613 20 5 EFBDRO COCCOc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873015066 1289521048 /nfs/dbraw/zinc/52/10/48/1289521048.db2.gz XHHMOHOXKUXSBT-UHFFFAOYSA-N 1 0 345.399 2.922 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000873020726 1289524510 /nfs/dbraw/zinc/52/45/10/1289524510.db2.gz BQOLKCXFQXUIMZ-HNNXBMFYSA-N 1 0 348.374 2.880 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000873023752 1289525367 /nfs/dbraw/zinc/52/53/67/1289525367.db2.gz VGQYVOQYBFQIOW-UHFFFAOYSA-N 1 0 348.424 2.905 20 5 EFBDRO Cc1c(C[NH2+]CCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000873023818 1289526796 /nfs/dbraw/zinc/52/67/96/1289526796.db2.gz XRMDBGBWMOCRQJ-UHFFFAOYSA-N 1 0 348.424 2.608 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001165991889 1312714858 /nfs/dbraw/zinc/71/48/58/1312714858.db2.gz UZUXCYYBHQQGMG-UHFFFAOYSA-N 1 0 337.763 2.751 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000873049686 1289540715 /nfs/dbraw/zinc/54/07/15/1289540715.db2.gz DOBHMXCPNXINGB-HUUCEWRRSA-N 1 0 333.432 2.948 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824115256 1289546905 /nfs/dbraw/zinc/54/69/05/1289546905.db2.gz PKEXBIWRAWEQDK-DLBZAZTESA-N 1 0 331.416 2.643 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873077783 1289556364 /nfs/dbraw/zinc/55/63/64/1289556364.db2.gz FFMIVNQGURRCPN-MRXNPFEDSA-N 1 0 331.416 2.784 20 5 EFBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079834 1289557036 /nfs/dbraw/zinc/55/70/36/1289557036.db2.gz IKNLVWYYONTLSQ-MOPGFXCFSA-N 1 0 347.459 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000873081116 1289557780 /nfs/dbraw/zinc/55/77/80/1289557780.db2.gz YLZYWALYNQVRRP-OALUTQOASA-N 1 0 347.459 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000873104204 1289570054 /nfs/dbraw/zinc/57/00/54/1289570054.db2.gz KQSDCGYSJBFJGX-UHFFFAOYSA-N 1 0 339.395 2.787 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000873105970 1289570400 /nfs/dbraw/zinc/57/04/00/1289570400.db2.gz FKNCSIWFLKLACE-UHFFFAOYSA-N 1 0 332.429 2.846 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCCS(C)(=O)=O ZINC000873108988 1289571740 /nfs/dbraw/zinc/57/17/40/1289571740.db2.gz YOPIMVVMUBFFQQ-UHFFFAOYSA-N 1 0 328.434 2.516 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000873122106 1289579438 /nfs/dbraw/zinc/57/94/38/1289579438.db2.gz OARLEVJWGLSTPB-YJBOKZPZSA-N 1 0 348.443 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000873128826 1289584181 /nfs/dbraw/zinc/58/41/81/1289584181.db2.gz AQQIWLLVERCVFO-KBXCAEBGSA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873129043 1289584510 /nfs/dbraw/zinc/58/45/10/1289584510.db2.gz FWYHIWFDZQVNOJ-HNNXBMFYSA-N 1 0 341.411 2.740 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000873129932 1289586035 /nfs/dbraw/zinc/58/60/35/1289586035.db2.gz VGTHYMFWHBYXPE-WMLDXEAASA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000873129930 1289586212 /nfs/dbraw/zinc/58/62/12/1289586212.db2.gz VGTHYMFWHBYXPE-PBHICJAKSA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000873129906 1289586483 /nfs/dbraw/zinc/58/64/83/1289586483.db2.gz SWTBOVZNBFZODX-YOEHRIQHSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1c(C[NH2+]CC2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873139811 1289594659 /nfs/dbraw/zinc/59/46/59/1289594659.db2.gz DHDPYVLIOHEFCK-UHFFFAOYSA-N 1 0 327.375 2.970 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824311336 1289601403 /nfs/dbraw/zinc/60/14/03/1289601403.db2.gz CHRKATKGQRWOLM-ZBFHGGJFSA-N 1 0 331.416 2.958 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)[nH]1 ZINC001166151561 1312737966 /nfs/dbraw/zinc/73/79/66/1312737966.db2.gz WIEMZJNFEBCSAU-UHFFFAOYSA-N 1 0 342.808 2.548 20 5 EFBDRO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000091632146 1290325314 /nfs/dbraw/zinc/32/53/14/1290325314.db2.gz VLKWAKDTJIIIDJ-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000875469858 1290536008 /nfs/dbraw/zinc/53/60/08/1290536008.db2.gz CEZAKMRGUZHTLB-ZBFHGGJFSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000875469853 1290536516 /nfs/dbraw/zinc/53/65/16/1290536516.db2.gz CEZAKMRGUZHTLB-GOEBONIOSA-N 1 0 331.416 2.768 20 5 EFBDRO COC(=O)Cc1ccc(NCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001166623825 1312805383 /nfs/dbraw/zinc/80/53/83/1312805383.db2.gz YMNOPCFTBZHYBV-UHFFFAOYSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000876783432 1291022044 /nfs/dbraw/zinc/02/20/44/1291022044.db2.gz BVONSPKOGNMATH-MRXNPFEDSA-N 1 0 334.416 2.982 20 5 EFBDRO CC(C)C[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876987736 1291099095 /nfs/dbraw/zinc/09/90/95/1291099095.db2.gz HQIDZGKMEQTLEY-QMMMGPOBSA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877087784 1291131137 /nfs/dbraw/zinc/13/11/37/1291131137.db2.gz RRAVJUKTSLBHMN-JQWIXIFHSA-N 1 0 325.796 2.785 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000795720005 1291309455 /nfs/dbraw/zinc/30/94/55/1291309455.db2.gz GQVCFVYGGXPADN-UHFFFAOYSA-N 1 0 330.388 2.793 20 5 EFBDRO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000877973619 1291433728 /nfs/dbraw/zinc/43/37/28/1291433728.db2.gz VSMSSGNMXGJNNI-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878239710 1291574589 /nfs/dbraw/zinc/57/45/89/1291574589.db2.gz KIBDDPGXDVFWFQ-ZDUSSCGKSA-N 1 0 345.403 2.607 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)o1 ZINC000878291898 1291605889 /nfs/dbraw/zinc/60/58/89/1291605889.db2.gz RDFGJBDSPBOFKC-STQMWFEESA-N 1 0 344.371 2.503 20 5 EFBDRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000957476431 1291622992 /nfs/dbraw/zinc/62/29/92/1291622992.db2.gz YDXDUBJOYBTLCM-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO [NH3+][C@H]1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166960108 1312872012 /nfs/dbraw/zinc/87/20/12/1312872012.db2.gz HBLIURHSUWILJR-LBPRGKRZSA-N 1 0 342.733 2.969 20 5 EFBDRO [NH3+][C@@H]1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC001166960106 1312872306 /nfs/dbraw/zinc/87/23/06/1312872306.db2.gz HBLIURHSUWILJR-GFCCVEGCSA-N 1 0 342.733 2.969 20 5 EFBDRO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1(F)F ZINC001166961191 1312872574 /nfs/dbraw/zinc/87/25/74/1312872574.db2.gz MJAJTGMOCGEKBD-CYBMUJFWSA-N 1 0 334.326 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H](O)c3ccccc3)C2)nc1 ZINC000795956102 1291808887 /nfs/dbraw/zinc/80/88/87/1291808887.db2.gz UNXMFGIRAKGBKG-NVXWUHKLSA-N 1 0 342.399 2.600 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C[NH2+]C)c1 ZINC001167033199 1312886360 /nfs/dbraw/zinc/88/63/60/1312886360.db2.gz IWPVRASEISVNMC-UHFFFAOYSA-N 1 0 330.344 2.630 20 5 EFBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001114788236 1291965073 /nfs/dbraw/zinc/96/50/73/1291965073.db2.gz RKEYZXAWCOBDDV-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CSC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000879098849 1291967038 /nfs/dbraw/zinc/96/70/38/1291967038.db2.gz JMKKOHRBMOLCHN-UHFFFAOYSA-N 1 0 341.408 2.890 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879517000 1292165872 /nfs/dbraw/zinc/16/58/72/1292165872.db2.gz BUUFIWAZNQJESJ-KRWDZBQOSA-N 1 0 327.384 2.750 20 5 EFBDRO CC(C)CC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879759073 1292257819 /nfs/dbraw/zinc/25/78/19/1292257819.db2.gz DKVFJXXIOLGYEU-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000775424128 1292400257 /nfs/dbraw/zinc/40/02/57/1292400257.db2.gz QYVRDRWCCCZANX-HNNXBMFYSA-N 1 0 339.823 2.985 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880233914 1292422775 /nfs/dbraw/zinc/42/27/75/1292422775.db2.gz AQZORSRFIDLZSN-LBPRGKRZSA-N 1 0 339.367 2.614 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880234205 1292422815 /nfs/dbraw/zinc/42/28/15/1292422815.db2.gz CQVXWHDKJARSOA-LBPRGKRZSA-N 1 0 339.367 2.614 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)OCc2ccccc2)cn1 ZINC001233622131 1312964635 /nfs/dbraw/zinc/96/46/35/1312964635.db2.gz VSBLDBQBWDPWMI-HNNXBMFYSA-N 1 0 329.420 2.912 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000882623849 1293267717 /nfs/dbraw/zinc/26/77/17/1293267717.db2.gz CVRSKEFBYRWUQL-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO Cc1cc(C(=O)N(C)CCCC[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000882624963 1293268649 /nfs/dbraw/zinc/26/86/49/1293268649.db2.gz XBMZGBITJCKWNV-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882724697 1293297640 /nfs/dbraw/zinc/29/76/40/1293297640.db2.gz AIDJVZVPHGDJMP-AWEZNQCLSA-N 1 0 339.823 2.986 20 5 EFBDRO CCOc1cccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882726657 1293299438 /nfs/dbraw/zinc/29/94/38/1293299438.db2.gz ZCQLMMSMNLUQOK-HNNXBMFYSA-N 1 0 349.431 2.731 20 5 EFBDRO CCc1ccc(C[NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000882809920 1293330193 /nfs/dbraw/zinc/33/01/93/1293330193.db2.gz UIPOZBWGZOAHEP-UHFFFAOYSA-N 1 0 342.399 2.580 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351936623 1313010163 /nfs/dbraw/zinc/01/01/63/1313010163.db2.gz MIGSKJIZJPRRFE-KSSFIOAISA-N 1 0 349.431 2.571 20 5 EFBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000883450260 1293597287 /nfs/dbraw/zinc/59/72/87/1293597287.db2.gz HNHSTINLZANUNT-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)c2ncccc12 ZINC001233901871 1313014362 /nfs/dbraw/zinc/01/43/62/1313014362.db2.gz OQHZUBGAQJFABX-AWEZNQCLSA-N 1 0 344.327 2.524 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)CC1 ZINC001233901193 1313014604 /nfs/dbraw/zinc/01/46/04/1313014604.db2.gz FMRCTHVHQHDRCM-LLVKDONJSA-N 1 0 346.343 2.914 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC001233906363 1313015983 /nfs/dbraw/zinc/01/59/83/1313015983.db2.gz VPPSKVVFORJUDS-JTQLQIEISA-N 1 0 335.340 2.525 20 5 EFBDRO Cc1ccoc1C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001233946511 1313022925 /nfs/dbraw/zinc/02/29/25/1313022925.db2.gz BAUCTRBRNKGIEZ-UHFFFAOYSA-N 1 0 337.401 2.810 20 5 EFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCCC[NH+]1CCCCC1 ZINC000800154711 1293934116 /nfs/dbraw/zinc/93/41/16/1293934116.db2.gz WJTODGHWMIIMJL-UHFFFAOYSA-N 1 0 340.351 2.532 20 5 EFBDRO O=C(OCCC[NH+]1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000800158884 1293935422 /nfs/dbraw/zinc/93/54/22/1293935422.db2.gz VUTUYVIYUXMGHH-UHFFFAOYSA-N 1 0 328.315 2.906 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCC[NH+]1CCCC1 ZINC000800190858 1293950296 /nfs/dbraw/zinc/95/02/96/1293950296.db2.gz PLRAAYDRYKHDPR-UHFFFAOYSA-N 1 0 331.372 2.648 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCCC[NH+]1CCCC1 ZINC000800219082 1293961772 /nfs/dbraw/zinc/96/17/72/1293961772.db2.gz GSLJRXCLGNBOQU-UHFFFAOYSA-N 1 0 326.780 2.820 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000884290772 1294083279 /nfs/dbraw/zinc/08/32/79/1294083279.db2.gz IYFCHUQBANXMJG-OAHLLOKOSA-N 1 0 331.416 2.673 20 5 EFBDRO Cc1[nH]c(C2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884709098 1294228573 /nfs/dbraw/zinc/22/85/73/1294228573.db2.gz VTCBGTCNHWFPHM-UHFFFAOYSA-N 1 0 340.387 2.966 20 5 EFBDRO CC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000884855639 1294268221 /nfs/dbraw/zinc/26/82/21/1294268221.db2.gz MLJFEZKLKXQWEM-ZDUSSCGKSA-N 1 0 340.383 2.908 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000137232522 1294720090 /nfs/dbraw/zinc/72/00/90/1294720090.db2.gz OLZLJPNUHATYLX-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886140569 1294725241 /nfs/dbraw/zinc/72/52/41/1294725241.db2.gz KMBIBUJPXGOZMU-QAPCUYQASA-N 1 0 340.427 2.990 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000886202748 1294761365 /nfs/dbraw/zinc/76/13/65/1294761365.db2.gz CZYKICGTJMBYRJ-FGTMMUONSA-N 1 0 339.395 2.994 20 5 EFBDRO Cc1ccccc1[C@H](CO)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000886439217 1294970305 /nfs/dbraw/zinc/97/03/05/1294970305.db2.gz RRCSJPALDWHZRH-ROUUACIJSA-N 1 0 330.384 2.602 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000886669665 1295097463 /nfs/dbraw/zinc/09/74/63/1295097463.db2.gz BYMKFMKCCGYMCN-IFIJOSMWSA-N 1 0 334.416 2.837 20 5 EFBDRO CCSCCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234442142 1313129832 /nfs/dbraw/zinc/12/98/32/1313129832.db2.gz QZABNZPAHVHYKX-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO Cc1c(NC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886926292 1295217436 /nfs/dbraw/zinc/21/74/36/1295217436.db2.gz IJJNVQHYYQQIQX-QGZVFWFLSA-N 1 0 332.404 2.901 20 5 EFBDRO CCOC(=O)C[C@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000775892067 1295261155 /nfs/dbraw/zinc/26/11/55/1295261155.db2.gz QFNJPXHIFJACDD-WBVHZDCISA-N 1 0 338.404 2.586 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903751121 1313162881 /nfs/dbraw/zinc/16/28/81/1313162881.db2.gz AQOUHTBNJFRPIF-LBPRGKRZSA-N 1 0 330.226 2.820 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984568 1295571453 /nfs/dbraw/zinc/57/14/53/1295571453.db2.gz GXPULRSHJXABQH-QWRGUYRKSA-N 1 0 342.237 2.882 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000776004099 1295631643 /nfs/dbraw/zinc/63/16/43/1295631643.db2.gz ZAMJCLHCHNCEFH-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889118696 1295690760 /nfs/dbraw/zinc/69/07/60/1295690760.db2.gz OZMOPBREXVAVKC-UHFFFAOYSA-N 1 0 344.415 2.744 20 5 EFBDRO CCOc1cc(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000826634101 1295731443 /nfs/dbraw/zinc/73/14/43/1295731443.db2.gz XPYNXJNYBYDSBT-OKILXGFUSA-N 1 0 337.420 2.539 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000889621139 1295784618 /nfs/dbraw/zinc/78/46/18/1295784618.db2.gz ACKFASMHSMLTJO-CABCVRRESA-N 1 0 331.416 2.768 20 5 EFBDRO C[C@@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000889826850 1295837284 /nfs/dbraw/zinc/83/72/84/1295837284.db2.gz YXQDOMGGICDAAY-CYBMUJFWSA-N 1 0 331.416 2.831 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C1 ZINC001234710475 1313185486 /nfs/dbraw/zinc/18/54/86/1313185486.db2.gz JDEPZPIDNKEANQ-ZDUSSCGKSA-N 1 0 333.391 2.912 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743574 1313188082 /nfs/dbraw/zinc/18/80/82/1313188082.db2.gz DIGZNFFGYKUITP-ZDUSSCGKSA-N 1 0 341.363 2.830 20 5 EFBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234902800 1313205942 /nfs/dbraw/zinc/20/59/42/1313205942.db2.gz ALROVTQIUGUJTI-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000776154928 1296721047 /nfs/dbraw/zinc/72/10/47/1296721047.db2.gz CRZGCGWFJBUITD-GVDBMIGSSA-N 1 0 334.416 2.956 20 5 EFBDRO CC(C)[C@@H](O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776166989 1296803925 /nfs/dbraw/zinc/80/39/25/1296803925.db2.gz ICXMURJUAKDTQR-GOSISDBHSA-N 1 0 347.459 2.950 20 5 EFBDRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925237327 1296813538 /nfs/dbraw/zinc/81/35/38/1296813538.db2.gz JCZOLLYUXZDMGR-IOASZLSFSA-N 1 0 334.420 2.637 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925237415 1296814561 /nfs/dbraw/zinc/81/45/61/1296814561.db2.gz KBDQWWKHZWKDGP-UNEWFSDZSA-N 1 0 346.431 2.924 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000927083324 1296985675 /nfs/dbraw/zinc/98/56/75/1296985675.db2.gz DXDNOIHPVZRAFP-USXIJHARSA-N 1 0 334.416 2.701 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000927083323 1296986307 /nfs/dbraw/zinc/98/63/07/1296986307.db2.gz DXDNOIHPVZRAFP-UAGQMJEPSA-N 1 0 334.416 2.701 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000929913500 1297215548 /nfs/dbraw/zinc/21/55/48/1297215548.db2.gz NCIDAUKUIMXZFM-QZTJIDSGSA-N 1 0 343.427 2.785 20 5 EFBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000929913501 1297216512 /nfs/dbraw/zinc/21/65/12/1297216512.db2.gz NCIDAUKUIMXZFM-ROUUACIJSA-N 1 0 343.427 2.785 20 5 EFBDRO C[C@H]1COCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930067918 1297227954 /nfs/dbraw/zinc/22/79/54/1297227954.db2.gz PPXSXJYBJNTLHW-JTQLQIEISA-N 1 0 329.194 2.968 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930630726 1297279781 /nfs/dbraw/zinc/27/97/81/1297279781.db2.gz GZRXVAMZSSZZOR-VXGBXAGGSA-N 1 0 329.194 2.606 20 5 EFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000776279823 1297356766 /nfs/dbraw/zinc/35/67/66/1297356766.db2.gz ZCPZQGZKWHETEO-RBUKOAKNSA-N 1 0 349.475 2.974 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000932712711 1297449343 /nfs/dbraw/zinc/44/93/43/1297449343.db2.gz KPBYICXTGYWLPT-CYBMUJFWSA-N 1 0 325.434 2.633 20 5 EFBDRO CC1(C)CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001017544085 1313406192 /nfs/dbraw/zinc/40/61/92/1313406192.db2.gz KGIKPDFVSLTWBU-YYIAUSFCSA-N 1 0 349.475 2.543 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000936029502 1297679521 /nfs/dbraw/zinc/67/95/21/1297679521.db2.gz DEKWOYKQBCGRQT-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000852206553 1299596036 /nfs/dbraw/zinc/59/60/36/1299596036.db2.gz MIRJVLPZTPYTNK-GOSISDBHSA-N 1 0 330.359 3.000 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586392 1299613346 /nfs/dbraw/zinc/61/33/46/1299613346.db2.gz OBWJYZQFTYGXIF-DLBZAZTESA-N 1 0 330.388 2.507 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000776578247 1299615417 /nfs/dbraw/zinc/61/54/17/1299615417.db2.gz DYOROAGYYMROGM-GOSISDBHSA-N 1 0 333.432 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000776581594 1299632150 /nfs/dbraw/zinc/63/21/50/1299632150.db2.gz KVKTXYKEIFJMIN-QZTJIDSGSA-N 1 0 333.432 2.579 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586410 1299665845 /nfs/dbraw/zinc/66/58/45/1299665845.db2.gz OBWJYZQFTYGXIF-IRXDYDNUSA-N 1 0 330.388 2.507 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000776592338 1299681087 /nfs/dbraw/zinc/68/10/87/1299681087.db2.gz LKWHGIAINOKZKD-SFHVURJKSA-N 1 0 342.395 2.924 20 5 EFBDRO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594223 1299693024 /nfs/dbraw/zinc/69/30/24/1299693024.db2.gz ZCFNKSLAPFCKHK-RBUKOAKNSA-N 1 0 341.411 2.617 20 5 EFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000852443017 1299706383 /nfs/dbraw/zinc/70/63/83/1299706383.db2.gz HZSNKNNYDUTDET-QZTJIDSGSA-N 1 0 346.383 2.614 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000776606130 1299791402 /nfs/dbraw/zinc/79/14/02/1299791402.db2.gz RWIHOIVPSBPVEC-OAHLLOKOSA-N 1 0 342.351 2.636 20 5 EFBDRO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000853509958 1300143179 /nfs/dbraw/zinc/14/31/79/1300143179.db2.gz GCDCAVXPAMFRME-LLVKDONJSA-N 1 0 343.374 2.814 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](N4CCOCC4)C3)sc2c1 ZINC000853652154 1300214202 /nfs/dbraw/zinc/21/42/02/1300214202.db2.gz CCDSSZVUJZXYGG-ZDUSSCGKSA-N 1 0 348.428 2.506 20 5 EFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000853657328 1300216571 /nfs/dbraw/zinc/21/65/71/1300216571.db2.gz CSCCEXXDRRIGOV-UHFFFAOYSA-N 1 0 341.839 2.825 20 5 EFBDRO COc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853718331 1300242868 /nfs/dbraw/zinc/24/28/68/1300242868.db2.gz CIPDHLFDYWJIDV-HNNXBMFYSA-N 1 0 349.431 2.603 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000853799386 1300283773 /nfs/dbraw/zinc/28/37/73/1300283773.db2.gz PFCIMLPTRNALSM-SECBINFHSA-N 1 0 329.784 2.787 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000854303211 1300505760 /nfs/dbraw/zinc/50/57/60/1300505760.db2.gz UGKZJWZSBPZEEM-OAHLLOKOSA-N 1 0 345.374 2.637 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313733 1300512797 /nfs/dbraw/zinc/51/27/97/1300512797.db2.gz CRKKCWQKSFHSTM-NSHDSACASA-N 1 0 336.392 2.598 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000854736481 1300681184 /nfs/dbraw/zinc/68/11/84/1300681184.db2.gz GLLGXQDTJNLSRE-GNJLHFKMSA-N 1 0 329.400 2.552 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000854893685 1300725184 /nfs/dbraw/zinc/72/51/84/1300725184.db2.gz OIYJRCLGOQCVFH-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]3C3CCOCC3)c2c1 ZINC000776778315 1300779104 /nfs/dbraw/zinc/77/91/04/1300779104.db2.gz SABHRZLCSMAIEH-INIZCTEOSA-N 1 0 330.388 2.793 20 5 EFBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850720 1300788260 /nfs/dbraw/zinc/78/82/60/1300788260.db2.gz JGDLQECLHAZFLN-WMLDXEAASA-N 1 0 343.431 2.627 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000245905770 1300813841 /nfs/dbraw/zinc/81/38/41/1300813841.db2.gz UOKRWYJBXXAYKV-DGCLKSJQSA-N 1 0 337.395 2.893 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855289022 1300893088 /nfs/dbraw/zinc/89/30/88/1300893088.db2.gz MSZFGUDTHXPXEL-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2)C1CCC1 ZINC000963467059 1300909701 /nfs/dbraw/zinc/90/97/01/1300909701.db2.gz KSPPXRFWSTYYIS-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2)C1CCC1 ZINC000963468637 1300911850 /nfs/dbraw/zinc/91/18/50/1300911850.db2.gz WNXPUSRCOMKQGK-UHFFFAOYSA-N 1 0 349.456 2.973 20 5 EFBDRO CC(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000963578630 1301085994 /nfs/dbraw/zinc/08/59/94/1301085994.db2.gz WHWYYAJCQKSBDM-UHFFFAOYSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000855809762 1301127965 /nfs/dbraw/zinc/12/79/65/1301127965.db2.gz LKXCXUYLLVXBFR-CYBMUJFWSA-N 1 0 335.379 2.871 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000855809763 1301128358 /nfs/dbraw/zinc/12/83/58/1301128358.db2.gz LKXCXUYLLVXBFR-ZDUSSCGKSA-N 1 0 335.379 2.871 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000856073500 1301224031 /nfs/dbraw/zinc/22/40/31/1301224031.db2.gz RISULKLBVUARBN-LLVKDONJSA-N 1 0 343.786 2.530 20 5 EFBDRO CC1(C(=O)NC2CC3(C2)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C3)CC1 ZINC000963844630 1301369012 /nfs/dbraw/zinc/36/90/12/1301369012.db2.gz DRPXPHZVVFDEGW-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859423442 1301459307 /nfs/dbraw/zinc/45/93/07/1301459307.db2.gz RZKIDIGRTGPQBO-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097038221 1313814506 /nfs/dbraw/zinc/81/45/06/1313814506.db2.gz WWNSDCWQGAYCFN-SHTZXODSSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000246729749 1302129250 /nfs/dbraw/zinc/12/92/50/1302129250.db2.gz UFZVGBPHHPVUMF-CXAGYDPISA-N 1 0 340.387 2.682 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097050313 1313823045 /nfs/dbraw/zinc/82/30/45/1313823045.db2.gz IAJSSZPUFMHBCI-SHTZXODSSA-N 1 0 348.447 2.694 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000861942813 1302254521 /nfs/dbraw/zinc/25/45/21/1302254521.db2.gz WABCSLIUHHKLCR-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1ccc([C@H](C)C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000862278878 1302326032 /nfs/dbraw/zinc/32/60/32/1302326032.db2.gz JNQHCEAZUAZWBE-NIKGAXFTSA-N 1 0 344.411 2.691 20 5 EFBDRO CC[C@H](C)C[N@H+](CC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000748260807 1313840486 /nfs/dbraw/zinc/84/04/86/1313840486.db2.gz CFGIRYYEOXAYJV-ZDUSSCGKSA-N 1 0 348.403 2.689 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097078397 1313840615 /nfs/dbraw/zinc/84/06/15/1313840615.db2.gz NJSLHHBOHXVFNP-HDJSIYSDSA-N 1 0 348.447 2.693 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862793220 1302462533 /nfs/dbraw/zinc/46/25/33/1302462533.db2.gz LFNVYWLARFMHBQ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@]1(O)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000794671479 1302891763 /nfs/dbraw/zinc/89/17/63/1302891763.db2.gz BIRSPQDLSCXDKY-KRWDZBQOSA-N 1 0 330.388 2.653 20 5 EFBDRO CC(C)(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000864525658 1302961929 /nfs/dbraw/zinc/96/19/29/1302961929.db2.gz ILCGIMJOUWLSLP-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864586577 1302989306 /nfs/dbraw/zinc/98/93/06/1302989306.db2.gz UXTQXGFWMYBLPD-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864592654 1302990484 /nfs/dbraw/zinc/99/04/84/1302990484.db2.gz CGPYAAHNLFSQJY-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864987354 1303113434 /nfs/dbraw/zinc/11/34/34/1303113434.db2.gz LQFPWBDDVFFQHR-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H]1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@H]1C ZINC000247034103 1303121126 /nfs/dbraw/zinc/12/11/26/1303121126.db2.gz SORHCEPNXNLRPR-STQMWFEESA-N 1 0 328.372 2.506 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865415866 1303244680 /nfs/dbraw/zinc/24/46/80/1303244680.db2.gz RDDTXBQWBXDQMY-UHFFFAOYSA-N 1 0 328.363 2.582 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)S(=O)(=O)CC[NH3+] ZINC001239101677 1313902636 /nfs/dbraw/zinc/90/26/36/1313902636.db2.gz SKNMYDFGIKHMEA-UHFFFAOYSA-N 1 0 328.437 2.713 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)F)c1 ZINC000865506704 1303288659 /nfs/dbraw/zinc/28/86/59/1303288659.db2.gz SQUFENQGDNWJPI-CABCVRRESA-N 1 0 341.358 2.568 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865538562 1303301758 /nfs/dbraw/zinc/30/17/58/1303301758.db2.gz TYHONIVLHCAPEZ-ZDUSSCGKSA-N 1 0 325.384 2.903 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865652864 1303352494 /nfs/dbraw/zinc/35/24/94/1303352494.db2.gz LBGWQIYWEHRXKC-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865674221 1303360487 /nfs/dbraw/zinc/36/04/87/1303360487.db2.gz IWFOLTSKRDUEFC-ZDUSSCGKSA-N 1 0 338.404 2.872 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097189760 1313908699 /nfs/dbraw/zinc/90/86/99/1313908699.db2.gz DSKQUWBFWIKTEW-IYBDPMFKSA-N 1 0 346.431 2.530 20 5 EFBDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000865819946 1303417423 /nfs/dbraw/zinc/41/74/23/1303417423.db2.gz BQLMQFHDUQSCPD-CYBMUJFWSA-N 1 0 332.331 2.836 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000865989803 1303478543 /nfs/dbraw/zinc/47/85/43/1303478543.db2.gz OMMITLLFYUFYRE-HNNXBMFYSA-N 1 0 349.406 2.753 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000865989804 1303478909 /nfs/dbraw/zinc/47/89/09/1303478909.db2.gz OMMITLLFYUFYRE-OAHLLOKOSA-N 1 0 349.406 2.753 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC1CC[NH+](C(C)C)CC1 ZINC000866085635 1303519469 /nfs/dbraw/zinc/51/94/69/1303519469.db2.gz AXXQSTOGAOZYHP-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866103583 1303525197 /nfs/dbraw/zinc/52/51/97/1303525197.db2.gz YXKDMDYJCGKOPP-CQSZACIVSA-N 1 0 349.406 2.611 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866244023 1303578705 /nfs/dbraw/zinc/57/87/05/1303578705.db2.gz WJYAKPZLZIAILC-GFCCVEGCSA-N 1 0 345.374 2.814 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260355 1303584003 /nfs/dbraw/zinc/58/40/03/1303584003.db2.gz DUNLJJXKYMIMGJ-GFCCVEGCSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCOC1 ZINC000866270738 1303587515 /nfs/dbraw/zinc/58/75/15/1303587515.db2.gz UFSXWYFJCDVVTI-KBPBESRZSA-N 1 0 340.395 2.698 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccco1 ZINC000866288632 1303590995 /nfs/dbraw/zinc/59/09/95/1303590995.db2.gz ZFQVURFDIOMUJZ-QWHCGFSZSA-N 1 0 336.363 2.699 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000866288630 1303591029 /nfs/dbraw/zinc/59/10/29/1303591029.db2.gz ZFQVURFDIOMUJZ-OLZOCXBDSA-N 1 0 336.363 2.699 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000866309885 1303598208 /nfs/dbraw/zinc/59/82/08/1303598208.db2.gz CPOVNHZCJBQNBQ-ISTRZQFTSA-N 1 0 338.379 2.593 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000866312148 1303599199 /nfs/dbraw/zinc/59/91/99/1303599199.db2.gz RUFWGQBAMVATHF-IUODEOHRSA-N 1 0 338.379 2.940 20 5 EFBDRO CCn1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1=O ZINC000866350104 1303613473 /nfs/dbraw/zinc/61/34/73/1303613473.db2.gz UUWLAROFHJBZND-LBPRGKRZSA-N 1 0 333.363 2.636 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363988 1303616240 /nfs/dbraw/zinc/61/62/40/1303616240.db2.gz PDYPVPWYROORMJ-STQMWFEESA-N 1 0 339.411 2.807 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121229585 1303789954 /nfs/dbraw/zinc/78/99/54/1303789954.db2.gz MSHWYCRQNJEXEC-OAHLLOKOSA-N 1 0 345.447 2.874 20 5 EFBDRO C[C@]([NH3+])(C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000867942183 1304029948 /nfs/dbraw/zinc/02/99/48/1304029948.db2.gz NNTPJRUJODMHFJ-HPXCNGPASA-N 1 0 343.427 2.854 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941296 1304030354 /nfs/dbraw/zinc/03/03/54/1304030354.db2.gz FVUSBEAOPKYUAD-YRWGSWDYSA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941298 1304030378 /nfs/dbraw/zinc/03/03/78/1304030378.db2.gz FVUSBEAOPKYUAD-ZFHGCVPZSA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948420 1304036839 /nfs/dbraw/zinc/03/68/39/1304036839.db2.gz VSKFTCVCDANSAG-FUHWJXTLSA-N 1 0 343.358 2.712 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951821 1304038981 /nfs/dbraw/zinc/03/89/81/1304038981.db2.gz QXQONRKDQRAUPU-PKOBYXMFSA-N 1 0 339.395 2.881 20 5 EFBDRO CC(C)(CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867952520 1304039884 /nfs/dbraw/zinc/03/98/84/1304039884.db2.gz BMBKZIUALBBPAH-LJQANCHMSA-N 1 0 341.411 2.863 20 5 EFBDRO Cc1cc(C)cc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867953905 1304040796 /nfs/dbraw/zinc/04/07/96/1304040796.db2.gz DMJZLNGQVSYASM-IBGZPJMESA-N 1 0 341.411 2.744 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867985259 1304059136 /nfs/dbraw/zinc/05/91/36/1304059136.db2.gz YSMUGCVNKHMOIM-AEFFLSMTSA-N 1 0 325.368 2.572 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH2+]CC1 ZINC000868000683 1304069476 /nfs/dbraw/zinc/06/94/76/1304069476.db2.gz WGQWCKMXBAQWJU-SNVBAGLBSA-N 1 0 333.413 2.927 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000868091753 1304118166 /nfs/dbraw/zinc/11/81/66/1304118166.db2.gz MTTZEKFVAWYADR-JGPRNRPPSA-N 1 0 338.795 2.900 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217980370 1315128498 /nfs/dbraw/zinc/12/84/98/1315128498.db2.gz KRKKPZNNQXOMAT-VXGBXAGGSA-N 1 0 333.157 2.826 20 5 EFBDRO CC1(NC(=O)c2ccc[nH]2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045363273 1307278143 /nfs/dbraw/zinc/27/81/43/1307278143.db2.gz HTTWVXMASCPNRF-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001045437616 1307338588 /nfs/dbraw/zinc/33/85/88/1307338588.db2.gz VOGGXIVPSQJQCX-HZPDHXFCSA-N 1 0 349.475 2.593 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900526477 1308260428 /nfs/dbraw/zinc/26/04/28/1308260428.db2.gz CKQKQHOHRSILID-SNVBAGLBSA-N 1 0 329.759 2.554 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000900544535 1308287370 /nfs/dbraw/zinc/28/73/70/1308287370.db2.gz TWFBOKZIJCEISI-QMMMGPOBSA-N 1 0 329.759 2.600 20 5 EFBDRO CC(C)[NH+](Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1)C(C)C ZINC000900545672 1308290591 /nfs/dbraw/zinc/29/05/91/1308290591.db2.gz DEFXOXGWOANXRQ-UHFFFAOYSA-N 1 0 335.383 2.993 20 5 EFBDRO CC(C)[NH+](Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1)C(C)C ZINC000900545649 1308291020 /nfs/dbraw/zinc/29/10/20/1308291020.db2.gz CQYAIZGOCWDCLY-UHFFFAOYSA-N 1 0 335.383 2.993 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900575122 1308341054 /nfs/dbraw/zinc/34/10/54/1308341054.db2.gz QUULZPZGZGBMLA-UHFFFAOYSA-N 1 0 343.786 2.801 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900585873 1308357494 /nfs/dbraw/zinc/35/74/94/1308357494.db2.gz BGIMJXQPNLRZJR-UHFFFAOYSA-N 1 0 331.775 2.801 20 5 EFBDRO Nc1cn(-c2ccc(N)c([N+](=O)[O-])c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001209934836 1314261358 /nfs/dbraw/zinc/26/13/58/1314261358.db2.gz NYNMTDNSBQGNDD-UHFFFAOYSA-N 1 0 339.330 2.835 20 5 EFBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209935683 1314261466 /nfs/dbraw/zinc/26/14/66/1314261466.db2.gz CBPJRARPBAHYER-UHFFFAOYSA-N 1 0 341.415 2.668 20 5 EFBDRO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000900837226 1308748889 /nfs/dbraw/zinc/74/88/89/1308748889.db2.gz CQDJKWSGBIOPHF-INIZCTEOSA-N 1 0 335.429 2.653 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000900998273 1309144916 /nfs/dbraw/zinc/14/49/16/1309144916.db2.gz YKITZAWDPMBBCF-WPRPVWTQSA-N 1 0 341.770 2.742 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000749101980 1314330933 /nfs/dbraw/zinc/33/09/33/1314330933.db2.gz HSXACIWSZSLPKI-UHFFFAOYSA-N 1 0 349.460 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001210443764 1314334729 /nfs/dbraw/zinc/33/47/29/1314334729.db2.gz DNNIPISHERORIQ-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO CCOC(=O)CC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801514703 1310423049 /nfs/dbraw/zinc/42/30/49/1310423049.db2.gz DRDWEONPPWSNLS-UHFFFAOYSA-N 1 0 345.193 2.742 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801571477 1310541892 /nfs/dbraw/zinc/54/18/92/1310541892.db2.gz ZLJYOHUHUCWERO-HNNXBMFYSA-N 1 0 328.368 2.957 20 5 EFBDRO O=C(CC1CC1)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222236721 1311103458 /nfs/dbraw/zinc/10/34/58/1311103458.db2.gz NBPXBSZMFPMVRN-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO O=C(/C=C/C1CC1)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222730108 1311177307 /nfs/dbraw/zinc/17/73/07/1311177307.db2.gz DBVNSXNFKVBBCF-VOTSOKGWSA-N 1 0 343.427 2.889 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc(Oc2ccccc2)c1 ZINC001222826075 1311188880 /nfs/dbraw/zinc/18/88/80/1311188880.db2.gz SFZOMPWTZWKZAY-QGZVFWFLSA-N 1 0 344.431 2.979 20 5 EFBDRO COC(=O)c1c(CO[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223294418 1311238969 /nfs/dbraw/zinc/23/89/69/1311238969.db2.gz KYQUWJPSMSOPMF-AWEZNQCLSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001223664777 1311288770 /nfs/dbraw/zinc/28/87/70/1311288770.db2.gz LUSLNPSZSKXGDT-WDNDVIMCSA-N 1 0 334.372 2.523 20 5 EFBDRO COc1cc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC001223910013 1311320021 /nfs/dbraw/zinc/32/00/21/1311320021.db2.gz QHSNOFDFAGQBSA-BTTYYORXSA-N 1 0 336.388 2.754 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223965600 1311326629 /nfs/dbraw/zinc/32/66/29/1311326629.db2.gz CYDVCMAPGPIBOI-OAHLLOKOSA-N 1 0 336.388 2.771 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001224027133 1311333805 /nfs/dbraw/zinc/33/38/05/1311333805.db2.gz UPNDIMWPXFHSEF-QUJYTELESA-N 1 0 348.399 2.839 20 5 EFBDRO Cc1ccc(-c2ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)nc1 ZINC001224148825 1311350263 /nfs/dbraw/zinc/35/02/63/1311350263.db2.gz XIZCVHSZMRECRS-GOSISDBHSA-N 1 0 343.447 2.557 20 5 EFBDRO Cc1cnc(COC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c(C)c1[N+](=O)[O-] ZINC001224183155 1311357220 /nfs/dbraw/zinc/35/72/20/1311357220.db2.gz NUKJQEXNDDUPLV-HNNXBMFYSA-N 1 0 349.431 2.767 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001158736562 1311377110 /nfs/dbraw/zinc/37/71/10/1311377110.db2.gz JRALXYORVMQLRU-CQSZACIVSA-N 1 0 328.372 2.777 20 5 EFBDRO C[NH+]1CCC(COC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001224449546 1311393166 /nfs/dbraw/zinc/39/31/66/1311393166.db2.gz HMAMVSMRFHHMMB-UHFFFAOYSA-N 1 0 333.432 2.922 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)NCC23CC[NH+](CC2)CC3)cnc1Cl ZINC001158824259 1311396061 /nfs/dbraw/zinc/39/60/61/1311396061.db2.gz LYKNAKZPOVDCOS-UHFFFAOYSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NCC23CC[NH+](CC2)CC3)nn1 ZINC001158828877 1311397247 /nfs/dbraw/zinc/39/72/47/1311397247.db2.gz QTCSXWYNOGLSLC-UHFFFAOYSA-N 1 0 339.399 2.950 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](OCCC[N+](C)(C)C)CS2 ZINC001224618312 1311414023 /nfs/dbraw/zinc/41/40/23/1311414023.db2.gz DUPJSGIIIHGSKV-AWEZNQCLSA-N 1 0 345.529 2.594 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224618418 1311414031 /nfs/dbraw/zinc/41/40/31/1311414031.db2.gz GRCVCNSLBWUVOW-CABCVRRESA-N 1 0 333.468 2.837 20 5 EFBDRO CCc1cc(N2CC[NH2+]C3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158938000 1311420771 /nfs/dbraw/zinc/42/07/71/1311420771.db2.gz JIXVQAZMXCXJGU-UHFFFAOYSA-N 1 0 339.399 2.556 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2OCC[N+](C)(C)C ZINC001224771726 1311432547 /nfs/dbraw/zinc/43/25/47/1311432547.db2.gz RCUNMEDDCWNHEV-XYPWUTKMSA-N 1 0 327.489 2.745 20 5 EFBDRO COc1nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)ccc1[N+](=O)[O-] ZINC001159026742 1311436091 /nfs/dbraw/zinc/43/60/91/1311436091.db2.gz YIHLBACLERZZKP-UHFFFAOYSA-N 1 0 340.383 2.597 20 5 EFBDRO CC(C)(F)C(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159040601 1311439675 /nfs/dbraw/zinc/43/96/75/1311439675.db2.gz IAVICEPNZSRSOJ-UHFFFAOYSA-N 1 0 349.406 2.981 20 5 EFBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)c(Cl)c1 ZINC001159164304 1311464733 /nfs/dbraw/zinc/46/47/33/1311464733.db2.gz JLSCWRKQVBIVLZ-UHFFFAOYSA-N 1 0 333.779 2.796 20 5 EFBDRO CSCC(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159169178 1311465231 /nfs/dbraw/zinc/46/52/31/1311465231.db2.gz YZHUAGAFXGYYID-UHFFFAOYSA-N 1 0 349.456 2.596 20 5 EFBDRO [NH3+][C@@H]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cn2)C1 ZINC001159328935 1311495578 /nfs/dbraw/zinc/49/55/78/1311495578.db2.gz PWCIGECZWSWTRP-SNVBAGLBSA-N 1 0 333.779 2.924 20 5 EFBDRO CN(C)Cc1ncccc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001225279059 1311500111 /nfs/dbraw/zinc/50/01/11/1311500111.db2.gz UCCDSTZKVJEDFJ-AWEZNQCLSA-N 1 0 342.399 2.709 20 5 EFBDRO COc1cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001225435620 1311523614 /nfs/dbraw/zinc/52/36/14/1311523614.db2.gz KFNOXUHFSUCYGS-HDJSIYSDSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)ccc1[N+](=O)[O-] ZINC001225436138 1311523810 /nfs/dbraw/zinc/52/38/10/1311523810.db2.gz OMQNVZMUJAYXNU-CQSZACIVSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@H](Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159500659 1311527630 /nfs/dbraw/zinc/52/76/30/1311527630.db2.gz FHNQLYVJVZFBJW-XPTSAGLGSA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@H](Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159500655 1311527713 /nfs/dbraw/zinc/52/77/13/1311527713.db2.gz FHNQLYVJVZFBJW-LKFCYVNXSA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@@H](Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159500996 1311527982 /nfs/dbraw/zinc/52/79/82/1311527982.db2.gz UWJFUATWANOLHL-NOZJJQNGSA-N 1 0 336.779 2.585 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1 ZINC001159537820 1311535982 /nfs/dbraw/zinc/53/59/82/1311535982.db2.gz SCROTWKWCHCLHN-UHFFFAOYSA-N 1 0 332.335 2.593 20 5 EFBDRO COc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC001159538402 1311536163 /nfs/dbraw/zinc/53/61/63/1311536163.db2.gz RHLAZZJTBBQCCP-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO [NH3+]CCN(c1ncc(F)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001159538352 1311536258 /nfs/dbraw/zinc/53/62/58/1311536258.db2.gz OWTZTJAHOFDWMG-UHFFFAOYSA-N 1 0 334.395 2.863 20 5 EFBDRO O=[N+]([O-])c1cccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1F ZINC001159567756 1311542666 /nfs/dbraw/zinc/54/26/66/1311542666.db2.gz LSZJLGITLFEBJD-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO COc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159567875 1311542680 /nfs/dbraw/zinc/54/26/80/1311542680.db2.gz RESOIGBFMPEVLU-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628943 1311556078 /nfs/dbraw/zinc/55/60/78/1311556078.db2.gz AHUICWRPKMUYJH-KBPBESRZSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628946 1311556124 /nfs/dbraw/zinc/55/61/24/1311556124.db2.gz AHUICWRPKMUYJH-ZIAGYGMSSA-N 1 0 328.372 2.989 20 5 EFBDRO Nc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001159653709 1311559442 /nfs/dbraw/zinc/55/94/42/1311559442.db2.gz KWILZESDQRBAAZ-HNNXBMFYSA-N 1 0 341.415 2.691 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001159654086 1311559697 /nfs/dbraw/zinc/55/96/97/1311559697.db2.gz PPEKZENAGOCPSO-INIZCTEOSA-N 1 0 341.415 2.812 20 5 EFBDRO Cc1c(Nc2ccc(OCC[NH3+])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159686977 1311565416 /nfs/dbraw/zinc/56/54/16/1311565416.db2.gz SIDOWBXNMCJNOL-UHFFFAOYSA-N 1 0 332.316 2.893 20 5 EFBDRO CC(C)(CC(F)F)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001159690696 1311566055 /nfs/dbraw/zinc/56/60/55/1311566055.db2.gz HOMHZISYNZBCOE-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO CC(C)(CC(F)F)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001159691603 1311566463 /nfs/dbraw/zinc/56/64/63/1311566463.db2.gz WPPFHJHLRMKBPV-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225894631 1311587802 /nfs/dbraw/zinc/58/78/02/1311587802.db2.gz KEEXBPRVFOZVTO-NSHDSACASA-N 1 0 327.312 2.894 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)(F)F)cc1Cl ZINC001225920273 1311590584 /nfs/dbraw/zinc/59/05/84/1311590584.db2.gz MVDBFRSQOQOOFU-SNVBAGLBSA-N 1 0 340.749 2.721 20 5 EFBDRO COc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ccc1[N+](=O)[O-] ZINC001159946460 1311614402 /nfs/dbraw/zinc/61/44/02/1311614402.db2.gz AJKYBGWPMOOGEV-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO CCOC(=O)c1cnc(-c2ccccc2)nc1O[C@H](C)C[N+](C)(C)C ZINC001226193126 1311626975 /nfs/dbraw/zinc/62/69/75/1311626975.db2.gz QTWJBQASFWHANW-CQSZACIVSA-N 1 0 344.435 2.794 20 5 EFBDRO COc1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160045852 1311635271 /nfs/dbraw/zinc/63/52/71/1311635271.db2.gz PAGNAQQRBPRGCV-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160057853 1311637447 /nfs/dbraw/zinc/63/74/47/1311637447.db2.gz PUICQZSYBNNRQN-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001160109378 1311645673 /nfs/dbraw/zinc/64/56/73/1311645673.db2.gz GXWLQUJYQHSXQZ-UHFFFAOYSA-N 1 0 341.415 2.628 20 5 EFBDRO C[C@@H](CN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001226311722 1311646539 /nfs/dbraw/zinc/64/65/39/1311646539.db2.gz UUSPANZFZIMTHL-JTQLQIEISA-N 1 0 334.294 2.713 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC001226338889 1311651048 /nfs/dbraw/zinc/65/10/48/1311651048.db2.gz BXLMRSXKGNIJON-SNVBAGLBSA-N 1 0 330.182 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001226364435 1311656123 /nfs/dbraw/zinc/65/61/23/1311656123.db2.gz LXVOOPYBKXUHOF-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226442131 1311668345 /nfs/dbraw/zinc/66/83/45/1311668345.db2.gz XXKJFAZWVDMXPQ-DRXBFXEBSA-N 1 0 328.372 2.647 20 5 EFBDRO O=[N+]([O-])c1cccc(Nc2ccccc2CN2CC[NH2+]CC2)c1F ZINC001160296754 1311683559 /nfs/dbraw/zinc/68/35/59/1311683559.db2.gz HNEFTQGUMZUTIV-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO Nc1cc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001226653832 1311702982 /nfs/dbraw/zinc/70/29/82/1311702982.db2.gz QDMVZSJIPHLRQS-UHFFFAOYSA-N 1 0 332.335 2.759 20 5 EFBDRO Nc1cc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160419006 1311705990 /nfs/dbraw/zinc/70/59/90/1311705990.db2.gz KLXLIDLEXBZCIQ-UHFFFAOYSA-N 1 0 327.266 2.793 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711809 1311711551 /nfs/dbraw/zinc/71/15/51/1311711551.db2.gz GOPIWWDIPOMQII-HIFRSBDPSA-N 1 0 328.372 2.989 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc2cccc(C[NH3+])c21 ZINC001160461295 1311715036 /nfs/dbraw/zinc/71/50/36/1311715036.db2.gz XWINAYWLPLUSCH-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001226764866 1311720007 /nfs/dbraw/zinc/72/00/07/1311720007.db2.gz MZDWJZLIYXXYMQ-QGZVFWFLSA-N 1 0 343.383 2.578 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2OC1CC[NH+](C2CC2)CC1 ZINC001226804799 1311726259 /nfs/dbraw/zinc/72/62/59/1311726259.db2.gz RRIOJZRBWYZKGU-UHFFFAOYSA-N 1 0 332.335 2.683 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808075 1311726703 /nfs/dbraw/zinc/72/67/03/1311726703.db2.gz SDOMUACYPATPHP-CDMJZVDBSA-N 1 0 346.362 2.786 20 5 EFBDRO CC(C)=C(F)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226832528 1311730173 /nfs/dbraw/zinc/73/01/73/1311730173.db2.gz WIQNSGYSDLIVIA-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Oc2ccccc2)c1 ZINC001226880053 1311736167 /nfs/dbraw/zinc/73/61/67/1311736167.db2.gz KRWCPIOWOUSKSL-OAHLLOKOSA-N 1 0 330.404 2.842 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227104651 1311762148 /nfs/dbraw/zinc/76/21/48/1311762148.db2.gz ANTJOLWYVGKNHB-AWEZNQCLSA-N 1 0 344.327 2.551 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CC[C@H]1O ZINC001160734625 1311771534 /nfs/dbraw/zinc/77/15/34/1311771534.db2.gz DXMZDKDSEAYYSA-TZIWHRDSSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160737271 1311771673 /nfs/dbraw/zinc/77/16/73/1311771673.db2.gz DCKGGYVSSZALGM-JXFKEZNVSA-N 1 0 334.419 2.674 20 5 EFBDRO Cc1cc(Cl)nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738282 1311771707 /nfs/dbraw/zinc/77/17/07/1311771707.db2.gz SIYWNLUHFXPPSJ-SFYZADRCSA-N 1 0 338.717 2.904 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160738740 1311771979 /nfs/dbraw/zinc/77/19/79/1311771979.db2.gz UWQQZZJXPLSIPD-APPZFPTMSA-N 1 0 338.717 2.904 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001160785984 1311780896 /nfs/dbraw/zinc/78/08/96/1311780896.db2.gz IHURZZWWULIBIX-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227285432 1311788615 /nfs/dbraw/zinc/78/86/15/1311788615.db2.gz CKKAAXSVJUIENK-MRVPVSSYSA-N 1 0 333.157 2.969 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227287057 1311789034 /nfs/dbraw/zinc/78/90/34/1311789034.db2.gz RFYSDDUBYAXZCK-MRVPVSSYSA-N 1 0 333.157 2.969 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc(O)cc2)cc1F ZINC001227363996 1311798045 /nfs/dbraw/zinc/79/80/45/1311798045.db2.gz HZIGCEJQZYUUMI-MRXNPFEDSA-O 1 0 348.394 2.561 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001227523593 1311815752 /nfs/dbraw/zinc/81/57/52/1311815752.db2.gz OBGMCVZOILSTRU-GOSISDBHSA-N 1 0 328.368 2.875 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001227542597 1311819194 /nfs/dbraw/zinc/81/91/94/1311819194.db2.gz BMRRGGMMIHDGRC-MGCOHNPYSA-N 1 0 328.390 2.695 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491074 1311899261 /nfs/dbraw/zinc/89/92/61/1311899261.db2.gz FBICPRCXXHIUKF-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2(Cc3ccccn3)CC[NH2+]CC2)c(Cl)c1 ZINC001161491863 1311899570 /nfs/dbraw/zinc/89/95/70/1311899570.db2.gz SMCOFPNNGJAEHJ-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(NC2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001161491294 1311899821 /nfs/dbraw/zinc/89/98/21/1311899821.db2.gz JYAUVBOBOPFGNJ-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO Cc1c(C)c(NC2(Cc3ccccn3)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161495135 1311900202 /nfs/dbraw/zinc/90/02/02/1311900202.db2.gz CJFRFCUISJGOCA-UHFFFAOYSA-N 1 0 341.415 2.778 20 5 EFBDRO CCc1cccnc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161518437 1311905569 /nfs/dbraw/zinc/90/55/69/1311905569.db2.gz BVKBWVOKRIQGMN-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)[nH]c1ccccc12 ZINC001228486464 1311955333 /nfs/dbraw/zinc/95/53/33/1311955333.db2.gz MGIMBJIFZBQVNH-CYBMUJFWSA-N 1 0 327.404 2.684 20 5 EFBDRO CCOC(=O)c1ccc(C(F)(F)F)nc1O[C@H](C)C[N+](C)(C)C ZINC001228531320 1311961666 /nfs/dbraw/zinc/96/16/66/1311961666.db2.gz UXLMQHQVHNZNLM-SNVBAGLBSA-N 1 0 335.346 2.751 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657757 1311976207 /nfs/dbraw/zinc/97/62/07/1311976207.db2.gz QNMVQRSSKVHAQX-CZUORRHYSA-N 1 0 328.372 2.674 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228655070 1311976509 /nfs/dbraw/zinc/97/65/09/1311976509.db2.gz PGZVDJRBNJQXTP-BBRMVZONSA-N 1 0 328.372 2.674 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001228661253 1311976854 /nfs/dbraw/zinc/97/68/54/1311976854.db2.gz WJOGGKMIWBXFLA-BFYDXBDKSA-N 1 0 340.383 2.674 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(Nc2ccc(Br)cc2C[NH3+])n1 ZINC001161852130 1311986991 /nfs/dbraw/zinc/98/69/91/1311986991.db2.gz AVPCDKGIDYHFML-UHFFFAOYSA-N 1 0 338.165 2.658 20 5 EFBDRO [NH3+]C1CCN(CCNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001161867062 1311990610 /nfs/dbraw/zinc/99/06/10/1311990610.db2.gz BWBXTAQTRZFWQY-UHFFFAOYSA-N 1 0 349.822 2.631 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001161877409 1311992636 /nfs/dbraw/zinc/99/26/36/1311992636.db2.gz HPLHREQASLOKRA-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO O=[N+]([O-])c1c(N[C@H](c2ccccc2)C2CC2)ncnc1C1C[NH2+]C1 ZINC001161958410 1312013652 /nfs/dbraw/zinc/01/36/52/1312013652.db2.gz QJGQQYROGFQQEH-CQSZACIVSA-N 1 0 325.372 2.635 20 5 EFBDRO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001228880910 1312015099 /nfs/dbraw/zinc/01/50/99/1312015099.db2.gz ZUVSSWKITSVKLK-KDOFPFPSSA-N 1 0 343.383 2.658 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939211 1312023742 /nfs/dbraw/zinc/02/37/42/1312023742.db2.gz SQILOGKJRVZJNT-MRVPVSSYSA-N 1 0 333.157 2.969 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001161995791 1312024930 /nfs/dbraw/zinc/02/49/30/1312024930.db2.gz RGMGJRXEPRBRHY-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO COc1cccc(C2(Nc3cccc([N+](=O)[O-])n3)CC[NH2+]CC2)c1 ZINC001161996488 1312025021 /nfs/dbraw/zinc/02/50/21/1312025021.db2.gz VQODBUWVEVUTRU-UHFFFAOYSA-N 1 0 328.372 2.689 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001228962087 1312027668 /nfs/dbraw/zinc/02/76/68/1312027668.db2.gz FFMUBVXXLKKOHR-JTQLQIEISA-N 1 0 328.752 2.508 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001228968210 1312029065 /nfs/dbraw/zinc/02/90/65/1312029065.db2.gz XSOMQCPHXHLFTP-SECBINFHSA-N 1 0 331.776 2.508 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2(c3cccnc3)CC[NH2+]CC2)c(Cl)c1 ZINC001162033207 1312035694 /nfs/dbraw/zinc/03/56/94/1312035694.db2.gz MFXICBBUNHTCDF-UHFFFAOYSA-N 1 0 347.806 2.772 20 5 EFBDRO COc1cccc(CC2([NH3+])CCN(c3cccc([N+](=O)[O-])n3)CC2)c1 ZINC001162045573 1312037760 /nfs/dbraw/zinc/03/77/60/1312037760.db2.gz JPLQHBSVQNLDLF-UHFFFAOYSA-N 1 0 342.399 2.539 20 5 EFBDRO CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048679998 1312038907 /nfs/dbraw/zinc/03/89/07/1312038907.db2.gz MIOXVMUIIFBPFU-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001229116113 1312049953 /nfs/dbraw/zinc/04/99/53/1312049953.db2.gz UAWMMTUYHMZTSM-IOQMRAIMSA-N 1 0 332.400 2.956 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452650 1312098736 /nfs/dbraw/zinc/09/87/36/1312098736.db2.gz VOFVMJWLRGSNDO-RHSMWYFYSA-N 1 0 343.383 2.518 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454616 1312099616 /nfs/dbraw/zinc/09/96/16/1312099616.db2.gz ODQNBHOYBKCRBR-KSSFIOAISA-N 1 0 343.383 2.518 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162472342 1312109828 /nfs/dbraw/zinc/10/98/28/1312109828.db2.gz WUIROIAJYKYDFD-UONOGXRCSA-N 1 0 332.448 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc1OCc1ccccc1 ZINC001162476021 1312110102 /nfs/dbraw/zinc/11/01/02/1312110102.db2.gz KYELSOFORWFFIB-KBPBESRZSA-N 1 0 346.362 2.681 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229559961 1312113629 /nfs/dbraw/zinc/11/36/29/1312113629.db2.gz LJQNJAOVMIOSRQ-SNVBAGLBSA-N 1 0 330.182 2.615 20 5 EFBDRO CN(C)/C=C/c1cc(Nc2ccc(C[NH3+])c(F)c2)ncc1[N+](=O)[O-] ZINC001162528768 1312119928 /nfs/dbraw/zinc/11/99/28/1312119928.db2.gz MIVBYUPKXZLTQS-AATRIKPKSA-N 1 0 331.351 2.864 20 5 EFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001162540784 1312121661 /nfs/dbraw/zinc/12/16/61/1312121661.db2.gz HONWQYFSEVEVDZ-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001162583770 1312129552 /nfs/dbraw/zinc/12/95/52/1312129552.db2.gz RKTLZBRKIQSMRI-GFCCVEGCSA-N 1 0 336.289 2.902 20 5 EFBDRO O=[N+]([O-])c1cc(Br)nc(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162583612 1312129567 /nfs/dbraw/zinc/12/95/67/1312129567.db2.gz QAJZCSQTKZYBTN-LBPRGKRZSA-N 1 0 347.188 2.646 20 5 EFBDRO C[NH+]1CCC(Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)CC1 ZINC001229802212 1312142837 /nfs/dbraw/zinc/14/28/37/1312142837.db2.gz IPPAZGRBSXVHAO-UHFFFAOYSA-N 1 0 341.363 2.830 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229804188 1312143079 /nfs/dbraw/zinc/14/30/79/1312143079.db2.gz YCQGJRSUUIZELL-LBPRGKRZSA-N 1 0 341.363 2.830 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229807020 1312143571 /nfs/dbraw/zinc/14/35/71/1312143571.db2.gz YOYNCKPDXDKLFT-NSHDSACASA-O 1 0 344.387 2.831 20 5 EFBDRO CCOC(=O)c1cnc(O[C@@H](C)C[N+](C)(C)C)nc1-c1ccccc1 ZINC001229831189 1312146737 /nfs/dbraw/zinc/14/67/37/1312146737.db2.gz PYCMRWROYJIDJJ-AWEZNQCLSA-N 1 0 344.435 2.794 20 5 EFBDRO Cc1nc(N[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c(C)c1Br ZINC001162676248 1312149637 /nfs/dbraw/zinc/14/96/37/1312149637.db2.gz OBZPCQFPXMQUMN-VXNVDRBHSA-N 1 0 329.198 2.531 20 5 EFBDRO Cc1cc(=O)oc2c1ccc(O[C@H]1CC[N@@H+](C(C)C)C1)c2[N+](=O)[O-] ZINC001229942552 1312161998 /nfs/dbraw/zinc/16/19/98/1312161998.db2.gz ISDZJWVSVXQXSN-LBPRGKRZSA-N 1 0 332.356 2.871 20 5 EFBDRO Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@@H+](C(C)C)C1)c2[N+](=O)[O-] ZINC001229942551 1312162283 /nfs/dbraw/zinc/16/22/83/1312162283.db2.gz ISDZJWVSVXQXSN-GFCCVEGCSA-N 1 0 332.356 2.871 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162765740 1312171403 /nfs/dbraw/zinc/17/14/03/1312171403.db2.gz ISZSHXMLVOJWDN-SNVBAGLBSA-N 1 0 340.339 2.740 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1 ZINC001162777840 1312174125 /nfs/dbraw/zinc/17/41/25/1312174125.db2.gz WAGKQCBZAARAAB-SNVBAGLBSA-N 1 0 340.339 2.740 20 5 EFBDRO CN1Cc2cc(NCc3ccc4c(c3)CC[NH2+]C4)cc([N+](=O)[O-])c2N1 ZINC001162816282 1312182282 /nfs/dbraw/zinc/18/22/82/1312182282.db2.gz OTZRVHKNNPXBFT-UHFFFAOYSA-N 1 0 339.399 2.625 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001162848007 1312188760 /nfs/dbraw/zinc/18/87/60/1312188760.db2.gz CWJWQQGQSRBXGW-SNVBAGLBSA-N 1 0 349.188 2.774 20 5 EFBDRO CN1CCc2c(c([N+](=O)[O-])ccc2N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001162853911 1312190852 /nfs/dbraw/zinc/19/08/52/1312190852.db2.gz ORFHGPZNZBJJAP-AWEZNQCLSA-N 1 0 338.411 2.604 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2c3ccccc3ccc21 ZINC001230203734 1312204922 /nfs/dbraw/zinc/20/49/22/1312204922.db2.gz WPLZKLORLWEAHZ-OAHLLOKOSA-N 1 0 339.415 2.751 20 5 EFBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001162925309 1312205152 /nfs/dbraw/zinc/20/51/52/1312205152.db2.gz XTTBGKWATBPGSQ-JKSUJKDBSA-N 1 0 331.397 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966068 1312214429 /nfs/dbraw/zinc/21/44/29/1312214429.db2.gz QCDIWHJAVCHEPN-NSHDSACASA-N 1 0 340.811 2.604 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC3CC4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001162982346 1312217956 /nfs/dbraw/zinc/21/79/56/1312217956.db2.gz ZWNXVVFYKOEGRI-UHFFFAOYSA-N 1 0 339.399 2.996 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001230326982 1312222978 /nfs/dbraw/zinc/22/29/78/1312222978.db2.gz XPHJXYFNTQMGIP-LBPRGKRZSA-N 1 0 327.178 2.830 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001163052328 1312232660 /nfs/dbraw/zinc/23/26/60/1312232660.db2.gz GOYTZRFRXUZEFD-CQSZACIVSA-N 1 0 338.367 2.921 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(Nc2ccc([C@H](C[NH3+])CO)cc2)nc1Cl ZINC001163054406 1312233206 /nfs/dbraw/zinc/23/32/06/1312233206.db2.gz ZYMNPYXLASDBDB-LLVKDONJSA-N 1 0 336.779 2.730 20 5 EFBDRO CN(C)c1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163063932 1312235335 /nfs/dbraw/zinc/23/53/35/1312235335.db2.gz NSDIUBNMZFODAA-CQSZACIVSA-N 1 0 343.431 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCc1noc2c1C[NH2+]CC2 ZINC001163129904 1312246623 /nfs/dbraw/zinc/24/66/23/1312246623.db2.gz PWOXBHJICJCKPS-UHFFFAOYSA-N 1 0 343.318 2.528 20 5 EFBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)ccc1C(F)(F)F ZINC001163131995 1312248327 /nfs/dbraw/zinc/24/83/27/1312248327.db2.gz RUGAZHSZTLNWRX-UHFFFAOYSA-N 1 0 342.277 2.859 20 5 EFBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166300 1312255137 /nfs/dbraw/zinc/25/51/37/1312255137.db2.gz ITNYQRGHPUNRIB-MDZRGWNJSA-N 1 0 334.423 2.819 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163178056 1312257709 /nfs/dbraw/zinc/25/77/09/1312257709.db2.gz RHKGGVBTYBMPDO-HBUWYVDXSA-N 1 0 349.431 2.727 20 5 EFBDRO c1cnc2c(c1)cc(NC[C@H]1OC[C@H]3C[NH2+]CC[C@H]31)c1cccnc12 ZINC001163176632 1312257945 /nfs/dbraw/zinc/25/79/45/1312257945.db2.gz VNONWNNDGRZZSE-IIDMSEBBSA-N 1 0 334.423 2.819 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cnc4ccc([N+](=O)[O-])cc4n3)cn2)cc1 ZINC001163215925 1312265830 /nfs/dbraw/zinc/26/58/30/1312265830.db2.gz QYIBVKHFVRBOMQ-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)cn2)cc1 ZINC001163218150 1312266416 /nfs/dbraw/zinc/26/64/16/1312266416.db2.gz IBPRVRGVBJRDBE-UHFFFAOYSA-N 1 0 334.339 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3Cc4ccccc4C[NH2+]3)c2c1 ZINC001163271618 1312279700 /nfs/dbraw/zinc/27/97/00/1312279700.db2.gz FENSHXJKQBVODA-AWEZNQCLSA-N 1 0 335.367 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163277668 1312280624 /nfs/dbraw/zinc/28/06/24/1312280624.db2.gz FSIKJLDEGFTQCM-ABAIWWIYSA-N 1 0 325.796 2.819 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3Cc4ccccc4C[NH2+]3)c21 ZINC001163276798 1312280627 /nfs/dbraw/zinc/28/06/27/1312280627.db2.gz ZDMKTWFJQHFNBQ-AWEZNQCLSA-N 1 0 335.367 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC001163280174 1312281132 /nfs/dbraw/zinc/28/11/32/1312281132.db2.gz RCFDLIWLZASHCI-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc2ncccc21 ZINC001163284398 1312282074 /nfs/dbraw/zinc/28/20/74/1312282074.db2.gz LMTKGORHBUOQSA-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2cccnc21 ZINC001163283845 1312282225 /nfs/dbraw/zinc/28/22/25/1312282225.db2.gz JOGLDJGIZKXUKR-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001163310506 1312286314 /nfs/dbraw/zinc/28/63/14/1312286314.db2.gz YRNNLVDLHCKMOY-ZDUSSCGKSA-N 1 0 327.344 2.592 20 5 EFBDRO COc1nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163315914 1312287474 /nfs/dbraw/zinc/28/74/74/1312287474.db2.gz UFEXYTMRFSEKCL-ZDUSSCGKSA-N 1 0 347.419 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163322018 1312289164 /nfs/dbraw/zinc/28/91/64/1312289164.db2.gz FRXCBHJJUYEAKI-YGRLFVJLSA-N 1 0 345.321 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cc2)cc1 ZINC001163342957 1312293246 /nfs/dbraw/zinc/29/32/46/1312293246.db2.gz NDMJLROSRLXUTC-SQNIBIBYSA-N 1 0 325.368 2.803 20 5 EFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC001163467150 1312319101 /nfs/dbraw/zinc/31/91/01/1312319101.db2.gz NAZUIYDLZATOCP-CQSZACIVSA-N 1 0 344.371 2.505 20 5 EFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])c(C)c2C)cc1 ZINC001163468477 1312319105 /nfs/dbraw/zinc/31/91/05/1312319105.db2.gz WNVBXJMHTZSRAE-AWEZNQCLSA-N 1 0 344.371 2.505 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000903065651 1312321096 /nfs/dbraw/zinc/32/10/96/1312321096.db2.gz RSFUKYVLFMTHKH-NHYWBVRUSA-N 1 0 335.383 2.780 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc2cc[nH]c21 ZINC001163650315 1312354359 /nfs/dbraw/zinc/35/43/59/1312354359.db2.gz NGIDQKGVLJTWLM-DOTOQJQBSA-N 1 0 330.388 2.789 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650185 1312354426 /nfs/dbraw/zinc/35/44/26/1312354426.db2.gz LWSWXTVWGIIPDK-DZGCQCFKSA-N 1 0 327.331 2.586 20 5 EFBDRO C[NH+](C)CCOc1cc(NCCc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC001163702712 1312367405 /nfs/dbraw/zinc/36/74/05/1312367405.db2.gz BDYYNEXNKPXZAY-UHFFFAOYSA-N 1 0 345.399 2.895 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc(Cl)nc3[N+](=O)[O-])O2)CC1 ZINC001230871887 1312375204 /nfs/dbraw/zinc/37/52/04/1312375204.db2.gz HJKRQBGTODNKOB-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163759477 1312379468 /nfs/dbraw/zinc/37/94/68/1312379468.db2.gz DJMLLDVCTWSAGH-UHFFFAOYSA-N 1 0 341.346 2.935 20 5 EFBDRO COc1csc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001163788886 1312384833 /nfs/dbraw/zinc/38/48/33/1312384833.db2.gz PAOMGSDNSARJRK-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001230913084 1312390782 /nfs/dbraw/zinc/39/07/82/1312390782.db2.gz QTAVSNOIGXCBMU-IMRBUKKESA-N 1 0 334.372 2.776 20 5 EFBDRO CC(C)(C)c1c(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001231010168 1312412388 /nfs/dbraw/zinc/41/23/88/1312412388.db2.gz HUYHRDUIBBOVHH-LLVKDONJSA-N 1 0 330.395 2.625 20 5 EFBDRO C[NH+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c3c2CNC3=O)c1 ZINC001163998129 1312424048 /nfs/dbraw/zinc/42/40/48/1312424048.db2.gz JKVPQSSAXNFXEV-UHFFFAOYSA-N 1 0 340.383 2.512 20 5 EFBDRO Cc1c(Br)c(O[C@@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001231095853 1312430626 /nfs/dbraw/zinc/43/06/26/1312430626.db2.gz UBKCUCDJJOSAFB-QMMMGPOBSA-N 1 0 333.206 2.534 20 5 EFBDRO Cc1c(Br)c(O[C@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001231095846 1312430795 /nfs/dbraw/zinc/43/07/95/1312430795.db2.gz UBKCUCDJJOSAFB-MRVPVSSYSA-N 1 0 333.206 2.534 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164071405 1312441620 /nfs/dbraw/zinc/44/16/20/1312441620.db2.gz SPMIEPVPIBMNIJ-RKDXNWHRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903197526 1312453189 /nfs/dbraw/zinc/45/31/89/1312453189.db2.gz QFOMMFUVSJBMTK-LBPRGKRZSA-N 1 0 332.379 2.916 20 5 EFBDRO CN1CCC(CNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164206986 1312468092 /nfs/dbraw/zinc/46/80/92/1312468092.db2.gz OMTPOYYAIWKSPX-UHFFFAOYSA-N 1 0 349.479 2.725 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001164242211 1312476295 /nfs/dbraw/zinc/47/62/95/1312476295.db2.gz IVALOHNJOLLKNR-CYBMUJFWSA-N 1 0 345.856 2.715 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCCC[C@H]2O)n1 ZINC000903262442 1312517961 /nfs/dbraw/zinc/51/79/61/1312517961.db2.gz DYSBURLRLKZSJY-FXUDXRNXSA-N 1 0 336.436 2.806 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001165072166 1312562913 /nfs/dbraw/zinc/56/29/13/1312562913.db2.gz MWXKTDRVHWZCCP-SNVBAGLBSA-N 1 0 334.754 2.719 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c(F)c1 ZINC001165084637 1312564996 /nfs/dbraw/zinc/56/49/96/1312564996.db2.gz KSVWJYOFJPSOEW-PBHICJAKSA-N 1 0 342.374 2.840 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001165184144 1312582286 /nfs/dbraw/zinc/58/22/86/1312582286.db2.gz LZLDGDPONCKRPG-SDBXPKJASA-N 1 0 331.203 2.685 20 5 EFBDRO Cc1cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165184451 1312582296 /nfs/dbraw/zinc/58/22/96/1312582296.db2.gz OBOINPWHFPKMBA-UGSOOPFHSA-N 1 0 326.400 2.839 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001165184449 1312582415 /nfs/dbraw/zinc/58/24/15/1312582415.db2.gz OBFBIBBSIBXBBK-QFYYESIMSA-N 1 0 347.806 2.579 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@]3(C2)CCC[NH2+]C3)cnc1Cl ZINC001165236265 1312592800 /nfs/dbraw/zinc/59/28/00/1312592800.db2.gz HZHREXMEGINGPP-ZDUSSCGKSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165242166 1312593780 /nfs/dbraw/zinc/59/37/80/1312593780.db2.gz UTVSIEXZUIJWSP-MRXNPFEDSA-N 1 0 347.806 2.771 20 5 EFBDRO [NH3+]CC1(F)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165263861 1312597936 /nfs/dbraw/zinc/59/79/36/1312597936.db2.gz IZCMSYGFYYPLTB-UHFFFAOYSA-N 1 0 330.363 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001165265448 1312598604 /nfs/dbraw/zinc/59/86/04/1312598604.db2.gz SSKXNZKXMCAULZ-GFCCVEGCSA-N 1 0 330.310 2.501 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304852 1312606371 /nfs/dbraw/zinc/60/63/71/1312606371.db2.gz SOAFHVYIIJMNOY-NSHDSACASA-N 1 0 348.300 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001165319823 1312608631 /nfs/dbraw/zinc/60/86/31/1312608631.db2.gz LWFXBFFCEZWLTC-KRWDZBQOSA-N 1 0 341.415 2.897 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC001165347340 1312612884 /nfs/dbraw/zinc/61/28/84/1312612884.db2.gz NPHFRBBOFSWDDA-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nc21 ZINC001165352185 1312614000 /nfs/dbraw/zinc/61/40/00/1312614000.db2.gz RYIVDAWJDJTJOT-DZGCQCFKSA-N 1 0 335.367 2.547 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@H]43)nn2)ccc1Cl ZINC001165396288 1312620429 /nfs/dbraw/zinc/62/04/29/1312620429.db2.gz QYDFFSAMOBRAKT-UKRRQHHQSA-N 1 0 345.790 2.646 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1 ZINC001165410480 1312624005 /nfs/dbraw/zinc/62/40/05/1312624005.db2.gz IASXCEFGDMEGJN-UHFFFAOYSA-N 1 0 347.806 2.627 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391541 1312627143 /nfs/dbraw/zinc/62/71/43/1312627143.db2.gz CCCPVNQONJMBAY-OCCSQVGLSA-N 1 0 335.404 2.655 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2CF)CC1 ZINC001165428476 1312628469 /nfs/dbraw/zinc/62/84/69/1312628469.db2.gz CZGWLYPEIHSJHO-GXTWGEPZSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]2CF)CC1 ZINC001165432753 1312629630 /nfs/dbraw/zinc/62/96/30/1312629630.db2.gz GUCSPZGFIKZNLV-SWLSCSKDSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165432730 1312629689 /nfs/dbraw/zinc/62/96/89/1312629689.db2.gz LOYXTPMFDXTQJA-QWHCGFSZSA-N 1 0 330.363 2.656 20 5 EFBDRO O=[N+]([O-])c1cnc2cccc(NCC3C[NH+](Cc4ccccc4)C3)n21 ZINC001165469298 1312634534 /nfs/dbraw/zinc/63/45/34/1312634534.db2.gz OFGOYAMEMRERMQ-UHFFFAOYSA-N 1 0 337.383 2.786 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903416441 1312647378 /nfs/dbraw/zinc/64/73/78/1312647378.db2.gz SRQMNNXVOPTENT-HZPDHXFCSA-N 1 0 329.404 2.811 20 5 EFBDRO Cc1cccc(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001165591091 1312650355 /nfs/dbraw/zinc/65/03/55/1312650355.db2.gz LMHVMUVMMIXXHO-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218669 1312650805 /nfs/dbraw/zinc/65/08/05/1312650805.db2.gz JSAGAFBUUDLEMK-GOSISDBHSA-N 1 0 336.439 2.545 20 5 EFBDRO O[C@@H]1COC2(C1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232218626 1312650901 /nfs/dbraw/zinc/65/09/01/1312650901.db2.gz JGBXERGTNKNGKR-SFHVURJKSA-N 1 0 349.434 2.899 20 5 EFBDRO CC(C)(C)[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@@H](O)CO ZINC001232218641 1312651060 /nfs/dbraw/zinc/65/10/60/1312651060.db2.gz JIJRJWMPXZICNM-QGZVFWFLSA-N 1 0 339.439 2.737 20 5 EFBDRO O=C1NCC2(CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)O1 ZINC001232222884 1312651854 /nfs/dbraw/zinc/65/18/54/1312651854.db2.gz HZWXLGHBRADAQK-UHFFFAOYSA-N 1 0 348.406 2.857 20 5 EFBDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225604 1312652193 /nfs/dbraw/zinc/65/21/93/1312652193.db2.gz MVVPFJAEQKBGSU-SFHVURJKSA-N 1 0 336.439 2.545 20 5 EFBDRO CC(C)(C)N(c1cc([N+](=O)[O-])ccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670779 1312660429 /nfs/dbraw/zinc/66/04/29/1312660429.db2.gz AECAFNYGFOLUGE-CQSZACIVSA-N 1 0 334.420 2.506 20 5 EFBDRO Cc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001165672328 1312660768 /nfs/dbraw/zinc/66/07/68/1312660768.db2.gz SJKXHMSNISSWED-AWEZNQCLSA-N 1 0 348.447 2.814 20 5 EFBDRO C[NH2+]Cc1ccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)cc1 ZINC001211134827 1314437934 /nfs/dbraw/zinc/43/79/34/1314437934.db2.gz CHAOLJIAPFETRY-UHFFFAOYSA-N 1 0 330.391 2.792 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)nc2)CC1 ZINC001211189198 1314450261 /nfs/dbraw/zinc/45/02/61/1314450261.db2.gz SORADUZAFGAFRY-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001019952116 1314548591 /nfs/dbraw/zinc/54/85/91/1314548591.db2.gz CCQZZUJIYWEYNU-JOCQHMNTSA-N 1 0 331.397 2.707 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001019962359 1314550393 /nfs/dbraw/zinc/55/03/93/1314550393.db2.gz VWQJVCWKQQOEMQ-QAQDUYKDSA-N 1 0 339.395 2.954 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CC[C@@H](C)C[NH2+]2)c1F ZINC001246107002 1314583342 /nfs/dbraw/zinc/58/33/42/1314583342.db2.gz RUTUIXPUVZDKPP-AGIUHOORSA-N 1 0 339.411 2.651 20 5 EFBDRO Cc1ccc(Nc2ncccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001213665968 1314587381 /nfs/dbraw/zinc/58/73/81/1314587381.db2.gz VFGPFAOIXBRDTN-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC001213661652 1314587756 /nfs/dbraw/zinc/58/77/56/1314587756.db2.gz SDQFLFQYCOKSKJ-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCCC[NH2+]2)c1F ZINC001246241956 1314601125 /nfs/dbraw/zinc/60/11/25/1314601125.db2.gz DAYKPMLIRXIFLF-QWHCGFSZSA-N 1 0 339.411 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331320 1314610649 /nfs/dbraw/zinc/61/06/49/1314610649.db2.gz OJOZYAJJCWULPL-ABAIWWIYSA-N 1 0 339.411 2.651 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020122576 1314620072 /nfs/dbraw/zinc/62/00/72/1314620072.db2.gz NZMJBXMPHHOUCP-JOCQHMNTSA-N 1 0 349.412 2.917 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001020136143 1314627073 /nfs/dbraw/zinc/62/70/73/1314627073.db2.gz UGRJCTRVEMOGQB-WKILWMFISA-N 1 0 329.400 2.832 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)=C1CCC1 ZINC001020136091 1314627102 /nfs/dbraw/zinc/62/71/02/1314627102.db2.gz RNKHTPVORNWIKF-WKILWMFISA-N 1 0 329.400 2.832 20 5 EFBDRO C[C@@H]1CC[C@H](CN)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246558089 1314647833 /nfs/dbraw/zinc/64/78/33/1314647833.db2.gz OHKNHNDCKRTYGG-RDTXWAMCSA-N 1 0 332.448 2.623 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)CC[C@@H]2C[NH3+])c1F ZINC001246571462 1314650068 /nfs/dbraw/zinc/65/00/68/1314650068.db2.gz UJJCBCNNPRAFBG-FRRDWIJNSA-N 1 0 339.411 2.733 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582733 1314652414 /nfs/dbraw/zinc/65/24/14/1314652414.db2.gz SPCWXQQVNUPKOI-CXAGYDPISA-N 1 0 339.411 2.687 20 5 EFBDRO N[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246603471 1314656121 /nfs/dbraw/zinc/65/61/21/1314656121.db2.gz YUJZAXMPNCWMAQ-DZGCQCFKSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611441 1314656958 /nfs/dbraw/zinc/65/69/58/1314656958.db2.gz SZVJUVHRRNPUHF-KSSFIOAISA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC001246618324 1314658138 /nfs/dbraw/zinc/65/81/38/1314658138.db2.gz JWWAPAJOGRTUQJ-KDOFPFPSSA-N 1 0 333.432 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246621183 1314658711 /nfs/dbraw/zinc/65/87/11/1314658711.db2.gz UCXYBQYZZVNIPI-HOJAQTOUSA-N 1 0 335.407 2.633 20 5 EFBDRO COCCCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246809722 1314687122 /nfs/dbraw/zinc/68/71/22/1314687122.db2.gz RTGLWHXLNAIZGD-MAUKXSAKSA-N 1 0 335.448 2.616 20 5 EFBDRO CCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246854671 1314697342 /nfs/dbraw/zinc/69/73/42/1314697342.db2.gz QMYAVHIUQQXIGF-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO CCC[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC001246896803 1314705091 /nfs/dbraw/zinc/70/50/91/1314705091.db2.gz BENBDIIVPDZXGE-HNNXBMFYSA-N 1 0 332.448 2.638 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@H]2CCCC[C@H]2[NH3+])c1F ZINC001246918824 1314707312 /nfs/dbraw/zinc/70/73/12/1314707312.db2.gz MEAAEHGVBNQTPL-NJZAAPMLSA-N 1 0 339.411 2.875 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C12CCC(CC1)C2 ZINC001020298529 1314717654 /nfs/dbraw/zinc/71/76/54/1314717654.db2.gz JGZREPVQXLOMKH-FVYCFJCHSA-N 1 0 343.427 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2c[nH+]ccc2N2CCOCC2)c1F ZINC001215292381 1314810415 /nfs/dbraw/zinc/81/04/15/1314810415.db2.gz VFCIKYKWHRMISZ-UHFFFAOYSA-N 1 0 336.298 2.848 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@]45C[C@@H]4C[NH2+]C5)n3)nc12 ZINC001247879636 1314860356 /nfs/dbraw/zinc/86/03/56/1314860356.db2.gz XLBVCAWDQNBZBB-BFUOFWGJSA-N 1 0 329.363 2.694 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC001248174134 1314899926 /nfs/dbraw/zinc/89/99/26/1314899926.db2.gz XUINXGHFJDUNTA-LSJOCFKGSA-N 1 0 333.323 2.772 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1N1CC[NH+](C)CC1 ZINC001249545812 1315093904 /nfs/dbraw/zinc/09/39/04/1315093904.db2.gz NYCVAMJQMXDHAB-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](OCCCC2CC[NH2+]CC2)C1 ZINC001217907807 1315120677 /nfs/dbraw/zinc/12/06/77/1315120677.db2.gz DQQCFWFATJTIMI-INIZCTEOSA-N 1 0 333.432 2.970 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CCC[NH2+]C[C@@H]3F)[nH]c2cc1Cl ZINC001217945971 1315123281 /nfs/dbraw/zinc/12/32/81/1315123281.db2.gz FUXUTQBWGFZTGH-UFBFGSQYSA-N 1 0 328.731 2.593 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217949357 1315124023 /nfs/dbraw/zinc/12/40/23/1315124023.db2.gz WSZNVZWAUOLETE-KOLCDFICSA-N 1 0 338.257 2.962 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217949360 1315124223 /nfs/dbraw/zinc/12/42/23/1315124223.db2.gz WSZNVZWAUOLETE-MWLCHTKSSA-N 1 0 338.257 2.962 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001217973931 1315127712 /nfs/dbraw/zinc/12/77/12/1315127712.db2.gz LAABQVHNTSXLEY-VIFPVBQESA-N 1 0 330.182 2.582 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1[N+](=O)[O-] ZINC001217983662 1315129174 /nfs/dbraw/zinc/12/91/74/1315129174.db2.gz WTLSDNLCDVOJMU-NXEZZACHSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1C[NH2+]C[C@@H]1F)CCC2 ZINC001218017290 1315134862 /nfs/dbraw/zinc/13/48/62/1315134862.db2.gz PAZBDRKIAGTOLN-QWRGUYRKSA-N 1 0 345.168 2.535 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001218031626 1315136412 /nfs/dbraw/zinc/13/64/12/1315136412.db2.gz QWLIMASJQRLNOD-UFBFGSQYSA-N 1 0 344.209 2.828 20 5 EFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCOC2)c1Cl ZINC001218042509 1315138283 /nfs/dbraw/zinc/13/82/83/1315138283.db2.gz PKBQQMCQXCPMAB-QMMMGPOBSA-N 1 0 335.187 2.831 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001218068685 1315142348 /nfs/dbraw/zinc/14/23/48/1315142348.db2.gz FPDBRMQBWWLSHH-ONGXEEELSA-N 1 0 333.157 2.745 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218071890 1315143021 /nfs/dbraw/zinc/14/30/21/1315143021.db2.gz QLGGANCTQLHORE-GWCFXTLKSA-N 1 0 341.339 2.879 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(C(F)(F)F)c1 ZINC001218143992 1315155205 /nfs/dbraw/zinc/15/52/05/1315155205.db2.gz FBOWGKCRGWZCHN-UBHAPETDSA-N 1 0 331.294 2.776 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001218322086 1315178425 /nfs/dbraw/zinc/17/84/25/1315178425.db2.gz HSXNPCZYWCWPLT-MFKMUULPSA-N 1 0 341.339 2.879 20 5 EFBDRO [NH3+]Cc1cccc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC001218383485 1315187121 /nfs/dbraw/zinc/18/71/21/1315187121.db2.gz MQZNXSAXCRYJGQ-AWEZNQCLSA-N 1 0 331.347 2.850 20 5 EFBDRO O=c1ccc2ncc(O[C@@H]3C[NH2+]CCC34CC4)c3c4ccccc4n1c32 ZINC001218403258 1315190810 /nfs/dbraw/zinc/19/08/10/1315190810.db2.gz JCSHVDZTLVPQKX-QGZVFWFLSA-N 1 0 345.402 2.960 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442717 1315195683 /nfs/dbraw/zinc/19/56/83/1315195683.db2.gz RYUMWYYOFJKKIT-JSTDYGSISA-N 1 0 331.141 2.626 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218447292 1315196890 /nfs/dbraw/zinc/19/68/90/1315196890.db2.gz JDSAMWJZGFYSLL-JMSVASOKSA-N 1 0 334.372 2.679 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218451382 1315197799 /nfs/dbraw/zinc/19/77/99/1315197799.db2.gz FRSYUHHVEBVHBI-OAHLLOKOSA-N 1 0 341.358 2.961 20 5 EFBDRO Nc1cc2nc3ccccc3n(-c3ccc4c[nH+]cn4c3)c-2cc1=O ZINC001250335147 1315199130 /nfs/dbraw/zinc/19/91/30/1315199130.db2.gz HEQZNVFMXOTOAG-UHFFFAOYSA-N 1 0 327.347 2.720 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(F)cc1Br ZINC001218460773 1315199626 /nfs/dbraw/zinc/19/96/26/1315199626.db2.gz NUVDGLZMYWNAQL-YVZVNANGSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1Br ZINC001218461805 1315200097 /nfs/dbraw/zinc/20/00/97/1315200097.db2.gz UGLPKZQNVVSBQI-ZDSQKVDBSA-N 1 0 327.178 2.734 20 5 EFBDRO COC(=O)c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218491595 1315204752 /nfs/dbraw/zinc/20/47/52/1315204752.db2.gz VLMHMRHTJHGFOH-INIZCTEOSA-N 1 0 328.324 2.605 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001318391983 1328573259 /nfs/dbraw/zinc/57/32/59/1328573259.db2.gz YZFLTDXTLZTVOZ-TZMCWYRMSA-N 1 0 330.388 2.679 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001218857080 1315250774 /nfs/dbraw/zinc/25/07/74/1315250774.db2.gz IJIFVPPMRSLHBJ-ZDUSSCGKSA-N 1 0 335.411 2.821 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC001218856882 1315251188 /nfs/dbraw/zinc/25/11/88/1315251188.db2.gz GGHVGIDVEOGJHR-GFCCVEGCSA-N 1 0 335.411 2.693 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858285 1315252211 /nfs/dbraw/zinc/25/22/11/1315252211.db2.gz XGKPSAXTSDAXOM-RYUDHWBXSA-N 1 0 335.411 2.692 20 5 EFBDRO C[NH2+][C@@H](CC(C)C)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256274 1315294826 /nfs/dbraw/zinc/29/48/26/1315294826.db2.gz QYHATUZPJAGQKM-INIZCTEOSA-N 1 0 337.423 2.963 20 5 EFBDRO Cc1cc(N2CCOCC2)cc2nc(-c3ccncc3[N+](=O)[O-])[nH]c21 ZINC001250939684 1315298801 /nfs/dbraw/zinc/29/88/01/1315298801.db2.gz UFRRCWDZAPAJMG-UHFFFAOYSA-N 1 0 339.355 2.678 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001219666372 1315334087 /nfs/dbraw/zinc/33/40/87/1315334087.db2.gz IDTJLVHCUJVUCB-UONOGXRCSA-N 1 0 334.423 2.758 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC1CC(=O)C1 ZINC001220018397 1315365045 /nfs/dbraw/zinc/36/50/45/1315365045.db2.gz BJQRIXVOOAXBNV-FQEVSTJZSA-N 1 0 332.403 2.711 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001251758116 1315376379 /nfs/dbraw/zinc/37/63/79/1315376379.db2.gz HMFONSNREUFJCE-KBPBESRZSA-N 1 0 331.372 2.944 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191982 1315381693 /nfs/dbraw/zinc/38/16/93/1315381693.db2.gz VHUUTJWMASRRTP-OXTHUFEASA-N 1 0 348.446 2.750 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001251963893 1315396007 /nfs/dbraw/zinc/39/60/07/1315396007.db2.gz QIEMHULTXGTBGW-KBPBESRZSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3cccs3)CC2)cc1 ZINC001254467724 1315707078 /nfs/dbraw/zinc/70/70/78/1315707078.db2.gz FDTHBCOIRKREHD-INIZCTEOSA-N 1 0 347.440 2.948 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ncc(F)cn1 ZINC001254468219 1315707122 /nfs/dbraw/zinc/70/71/22/1315707122.db2.gz HDHLFYDAAKFDAJ-GFCCVEGCSA-N 1 0 345.378 2.844 20 5 EFBDRO C[N@H+](CC1CCOCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254473546 1315707337 /nfs/dbraw/zinc/70/73/37/1315707337.db2.gz FBYXUAHZABXBPK-UHFFFAOYSA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@]1(C)O ZINC001254474733 1315707384 /nfs/dbraw/zinc/70/73/84/1315707384.db2.gz UXLRMDXPCAWBEK-KDOFPFPSSA-N 1 0 333.432 2.656 20 5 EFBDRO CC(C)(C)N1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472663 1315707424 /nfs/dbraw/zinc/70/74/24/1315707424.db2.gz ITDBFTMKGSWFLS-UHFFFAOYSA-N 1 0 332.448 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H](CO)CC3)CC2)cc1 ZINC001254474676 1315707625 /nfs/dbraw/zinc/70/76/25/1315707625.db2.gz SJSBUXDPZVRQRJ-OAHLLOKOSA-N 1 0 333.432 2.658 20 5 EFBDRO CN1CCC[C@](C)([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472889 1315707637 /nfs/dbraw/zinc/70/76/37/1315707637.db2.gz UAOIVOBMNOBCKD-SFHVURJKSA-N 1 0 332.448 2.638 20 5 EFBDRO CC1(C)C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC001254480154 1315708068 /nfs/dbraw/zinc/70/80/68/1315708068.db2.gz WLCCHRKMNCBFDJ-UHFFFAOYSA-N 1 0 331.416 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001254480879 1315708332 /nfs/dbraw/zinc/70/83/32/1315708332.db2.gz NQWLRGWGJLYCBQ-KDOFPFPSSA-N 1 0 331.416 2.674 20 5 EFBDRO COCC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476567 1315708388 /nfs/dbraw/zinc/70/83/88/1315708388.db2.gz SKWCVWKMBWPRSD-UHFFFAOYSA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001254476612 1315708390 /nfs/dbraw/zinc/70/83/90/1315708390.db2.gz TZLNTLXHYHYSRB-KSSFIOAISA-N 1 0 333.432 2.656 20 5 EFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481523 1315708707 /nfs/dbraw/zinc/70/87/07/1315708707.db2.gz WZAOFSVWFMRRSD-KRWDZBQOSA-N 1 0 333.432 2.799 20 5 EFBDRO CC[N@H+](CCC[NH+](C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481716 1315709086 /nfs/dbraw/zinc/70/90/86/1315709086.db2.gz YXWSUQXLBKTSDS-UHFFFAOYSA-N 1 0 334.464 2.837 20 5 EFBDRO COc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254538765 1315721052 /nfs/dbraw/zinc/72/10/52/1315721052.db2.gz ATKHUAOZPACYMP-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254536184 1315721481 /nfs/dbraw/zinc/72/14/81/1315721481.db2.gz ONTULXISPFSKMT-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ncccn2)CC1 ZINC001254534918 1315721512 /nfs/dbraw/zinc/72/15/12/1315721512.db2.gz DRTGWZJWSRTMNR-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254544870 1315721693 /nfs/dbraw/zinc/72/16/93/1315721693.db2.gz YFCRHAJNCCRGLE-AWEZNQCLSA-N 1 0 345.399 2.736 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001254545173 1315721828 /nfs/dbraw/zinc/72/18/28/1315721828.db2.gz BKXVOBROWRNRKY-BBRMVZONSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001254540708 1315721841 /nfs/dbraw/zinc/72/18/41/1315721841.db2.gz UMOOJTONFHLYOT-MJJDPTRDSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1cccc(F)c1 ZINC001254544094 1315721863 /nfs/dbraw/zinc/72/18/63/1315721863.db2.gz VADMEUWWMYPTKT-DYVFJYSZSA-N 1 0 332.375 2.858 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254542127 1315721867 /nfs/dbraw/zinc/72/18/67/1315721867.db2.gz MEIVERHJVKOANY-FZKQIMNGSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccc(N)cc1 ZINC001254543762 1315721910 /nfs/dbraw/zinc/72/19/10/1315721910.db2.gz GWKFUDAICWEDSE-DYVFJYSZSA-N 1 0 329.400 2.821 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001254542538 1315721930 /nfs/dbraw/zinc/72/19/30/1315721930.db2.gz OUSMKQNKRGRAII-XJKSGUPXSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001254545069 1315721949 /nfs/dbraw/zinc/72/19/49/1315721949.db2.gz ADHPVEVBVJXCIF-RHSMWYFYSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1CCOCC1)C(C)(C)C ZINC001254548398 1315722277 /nfs/dbraw/zinc/72/22/77/1315722277.db2.gz IJIDNIPEQDBLIS-QAPCUYQASA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccn2)C1 ZINC001254548538 1315722339 /nfs/dbraw/zinc/72/23/39/1315722339.db2.gz NTLGHIFMDUQNOP-CRAIPNDOSA-N 1 0 340.427 2.785 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001254547014 1315722379 /nfs/dbraw/zinc/72/23/79/1315722379.db2.gz BTNRLZJXOCUCPR-CYBMUJFWSA-N 1 0 342.399 2.894 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001254549931 1315722525 /nfs/dbraw/zinc/72/25/25/1315722525.db2.gz ALQHTNGTDOVBTE-LBPRGKRZSA-N 1 0 341.367 2.647 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nnc(-c2ccc(C[NH3+])cc2)n1 ZINC001254550445 1315722603 /nfs/dbraw/zinc/72/26/03/1315722603.db2.gz JWIWTINPWIUDBP-LBPRGKRZSA-N 1 0 338.371 2.511 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001254549710 1315722737 /nfs/dbraw/zinc/72/27/37/1315722737.db2.gz XRAJSRNJDWAIGM-XJKSGUPXSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001254554702 1315722765 /nfs/dbraw/zinc/72/27/65/1315722765.db2.gz DJQJFEIBYQEOAT-GDBMZVCRSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001254550351 1315722768 /nfs/dbraw/zinc/72/27/68/1315722768.db2.gz HZPQEWMZDZYXNJ-CJNGLKHVSA-N 1 0 329.400 2.673 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccnc2)CC1 ZINC001254553102 1315722872 /nfs/dbraw/zinc/72/28/72/1315722872.db2.gz SHKNGOBJPYVZFA-HNNXBMFYSA-N 1 0 326.400 2.743 20 5 EFBDRO CCc1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254557221 1315723314 /nfs/dbraw/zinc/72/33/14/1315723314.db2.gz OSLVBESZAWBDOQ-AWEZNQCLSA-N 1 0 340.427 2.979 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001254557692 1315723354 /nfs/dbraw/zinc/72/33/54/1315723354.db2.gz QSILTBIWXPETHI-RDTXWAMCSA-N 1 0 331.416 2.661 20 5 EFBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC001254559385 1315723605 /nfs/dbraw/zinc/72/36/05/1315723605.db2.gz XIQMEMFBGVLIEW-DNVCBOLYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCNC2=O)CC1 ZINC001254560240 1315723650 /nfs/dbraw/zinc/72/36/50/1315723650.db2.gz QLKZKJLHNYNOFM-AWEZNQCLSA-N 1 0 331.416 2.518 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001254562879 1315723918 /nfs/dbraw/zinc/72/39/18/1315723918.db2.gz QLVAZPWQNVMNKL-AWEZNQCLSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001254563618 1315724163 /nfs/dbraw/zinc/72/41/63/1315724163.db2.gz ZOYUISUWSKUBAO-PTKHLAPESA-N 1 0 346.427 2.652 20 5 EFBDRO CCO[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001254561173 1315724317 /nfs/dbraw/zinc/72/43/17/1315724317.db2.gz JQYGTSQPXAEDBQ-LIRZEXBASA-N 1 0 334.416 2.794 20 5 EFBDRO COc1ccc(C(=O)C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567933 1315724500 /nfs/dbraw/zinc/72/45/00/1315724500.db2.gz RETDETMVIGXSFZ-HNNXBMFYSA-N 1 0 326.352 2.543 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566287 1315724989 /nfs/dbraw/zinc/72/49/89/1315724989.db2.gz JEMKZLLUEBKMFJ-HUUCEWRRSA-N 1 0 347.415 2.661 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001254570571 1315725199 /nfs/dbraw/zinc/72/51/99/1315725199.db2.gz NYOAJHQVAWHVLQ-GOEBONIOSA-N 1 0 342.399 2.859 20 5 EFBDRO CCOC(=O)NC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254570599 1315725262 /nfs/dbraw/zinc/72/52/62/1315725262.db2.gz OLFXLOQWMYZWTL-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccncn2)CC1 ZINC001254569987 1315725310 /nfs/dbraw/zinc/72/53/10/1315725310.db2.gz LNKWVKQOKOSWHG-AWEZNQCLSA-N 1 0 342.399 2.859 20 5 EFBDRO Cc1ccnc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254571524 1315725498 /nfs/dbraw/zinc/72/54/98/1315725498.db2.gz XCNRQFAYVHOPCB-ZBFHGGJFSA-N 1 0 342.399 2.778 20 5 EFBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254571522 1315725588 /nfs/dbraw/zinc/72/55/88/1315725588.db2.gz XCNRQFAYVHOPCB-GOEBONIOSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001254571445 1315725775 /nfs/dbraw/zinc/72/57/75/1315725775.db2.gz VQRVIBZDNAGGTH-AWEZNQCLSA-N 1 0 347.415 2.833 20 5 EFBDRO Cc1ncn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CSCC[NH3+] ZINC001254573896 1315725920 /nfs/dbraw/zinc/72/59/20/1315725920.db2.gz DJBCJBKUPPAYJN-OAHLLOKOSA-N 1 0 332.429 2.632 20 5 EFBDRO CC(=O)N(C)c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572487 1315726081 /nfs/dbraw/zinc/72/60/81/1315726081.db2.gz OPZQLRQFLQAMIT-QGZVFWFLSA-N 1 0 339.395 2.835 20 5 EFBDRO CC(C)(C)OC(=O)N1CC(C)([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254571973 1315726139 /nfs/dbraw/zinc/72/61/39/1315726139.db2.gz FNRHLQPGFNOKFC-CQSZACIVSA-N 1 0 347.415 2.661 20 5 EFBDRO CC(C)(C)OC(=O)NCC(C)(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579624 1315726379 /nfs/dbraw/zinc/72/63/79/1315726379.db2.gz UNLHXMRDPUMUBB-CQSZACIVSA-N 1 0 349.431 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001254581762 1315726946 /nfs/dbraw/zinc/72/69/46/1315726946.db2.gz MGRXNGPEQUYJQL-MRXNPFEDSA-N 1 0 336.351 2.902 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC001254580022 1315726998 /nfs/dbraw/zinc/72/69/98/1315726998.db2.gz YUNPXKAZGYICTC-KRWDZBQOSA-N 1 0 338.411 2.716 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1O ZINC001254581203 1315727007 /nfs/dbraw/zinc/72/70/07/1315727007.db2.gz MGPRRMVVAUAEQQ-CQSZACIVSA-N 1 0 344.367 2.575 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)C2 ZINC001254585545 1315727748 /nfs/dbraw/zinc/72/77/48/1315727748.db2.gz MGJKHLFDKJBYQR-CYBMUJFWSA-N 1 0 340.305 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cn(CC(F)(F)F)cn1)C2 ZINC001254586491 1315727845 /nfs/dbraw/zinc/72/78/45/1315727845.db2.gz KJLOQIPFKWWXCF-LBPRGKRZSA-N 1 0 340.305 2.611 20 5 EFBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)ccc1F ZINC001254588443 1315727944 /nfs/dbraw/zinc/72/79/44/1315727944.db2.gz YUQSPFUBZQYWLH-CYBMUJFWSA-N 1 0 332.306 2.813 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588638 1315727949 /nfs/dbraw/zinc/72/79/49/1315727949.db2.gz GZEIEYUGEKISKN-HKUYNNGSSA-N 1 0 342.395 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001254585911 1315728101 /nfs/dbraw/zinc/72/81/01/1315728101.db2.gz YOBRWNIRJDWBNT-SJORKVTESA-N 1 0 346.814 2.909 20 5 EFBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588675 1315728117 /nfs/dbraw/zinc/72/81/17/1315728117.db2.gz HQJVLDYIIQMUSW-HPXMNCLZSA-N 1 0 344.411 2.629 20 5 EFBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592690 1315728281 /nfs/dbraw/zinc/72/82/81/1315728281.db2.gz FUKJGDWGQNNWIA-GUYCJALGSA-N 1 0 332.400 2.727 20 5 EFBDRO CCOC(=O)CC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593189 1315728378 /nfs/dbraw/zinc/72/83/78/1315728378.db2.gz JQQHNEBEBZLIPJ-QGZVFWFLSA-N 1 0 332.400 2.727 20 5 EFBDRO O=c1[nH]c2cc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2o1 ZINC001254588894 1315728386 /nfs/dbraw/zinc/72/83/86/1315728386.db2.gz JXZPSWFMROGJEZ-ZDUSSCGKSA-N 1 0 325.324 2.699 20 5 EFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597437 1315728888 /nfs/dbraw/zinc/72/88/88/1315728888.db2.gz DQIYUOYMJZDVRB-CJNGLKHVSA-N 1 0 332.400 2.726 20 5 EFBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599071 1315728974 /nfs/dbraw/zinc/72/89/74/1315728974.db2.gz ZXRGNTOZWGZTTG-GUDVDZBRSA-N 1 0 346.427 2.580 20 5 EFBDRO COC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599067 1315729269 /nfs/dbraw/zinc/72/92/69/1315729269.db2.gz ZXRGNTOZWGZTTG-CEXWTWQISA-N 1 0 346.427 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001254601260 1315729575 /nfs/dbraw/zinc/72/95/75/1315729575.db2.gz WZPYNBQFVYLHJX-IBGZPJMESA-N 1 0 329.444 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001254607246 1315730421 /nfs/dbraw/zinc/73/04/21/1315730421.db2.gz JWGVDWVGMRADHS-SJORKVTESA-N 1 0 325.368 2.610 20 5 EFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607937 1315730526 /nfs/dbraw/zinc/73/05/26/1315730526.db2.gz NNDRGBPIEQSDAE-MRXNPFEDSA-N 1 0 349.431 2.909 20 5 EFBDRO CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254605482 1315730699 /nfs/dbraw/zinc/73/06/99/1315730699.db2.gz AIAOUZGIKDJZFL-NVXWUHKLSA-N 1 0 326.400 2.974 20 5 EFBDRO CCOC(=O)[C@H]1CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609530 1315731128 /nfs/dbraw/zinc/73/11/28/1315731128.db2.gz WYNGGLJYLBEHFI-WMLDXEAASA-N 1 0 332.400 2.727 20 5 EFBDRO CCCCOC(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611274 1315731191 /nfs/dbraw/zinc/73/11/91/1315731191.db2.gz OVYOKVZFMWYFIE-WMLDXEAASA-N 1 0 332.400 2.727 20 5 EFBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254609946 1315731378 /nfs/dbraw/zinc/73/13/78/1315731378.db2.gz GINZWZJFIYQNNN-DEYYWGMASA-N 1 0 346.427 2.973 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001039583807 1315879306 /nfs/dbraw/zinc/87/93/06/1315879306.db2.gz WGGZLDKSZWWKFG-XMTFNYHQSA-N 1 0 349.475 2.687 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318478940 1328610480 /nfs/dbraw/zinc/61/04/80/1328610480.db2.gz BLHBGVBANICRKS-CHWSQXEVSA-N 1 0 337.445 2.919 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3conc3C)CC2)ccc1[N+](=O)[O-] ZINC001256082778 1315903321 /nfs/dbraw/zinc/90/33/21/1315903321.db2.gz JYCTZEPQUYBRAK-UHFFFAOYSA-N 1 0 346.387 2.658 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089420 1315903624 /nfs/dbraw/zinc/90/36/24/1315903624.db2.gz SYYAFXAOAHRZNI-ZFWWWQNUSA-N 1 0 349.431 2.729 20 5 EFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C1CC1 ZINC001256088004 1315903702 /nfs/dbraw/zinc/90/37/02/1315903702.db2.gz ADDCLLSZKSUAAN-MRXNPFEDSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@]3(C)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256092204 1315903805 /nfs/dbraw/zinc/90/38/05/1315903805.db2.gz HTNODHUXCZMODB-SFHVURJKSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256090773 1315903808 /nfs/dbraw/zinc/90/38/08/1315903808.db2.gz YAFQGEMBGWFRLT-CJNGLKHVSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)CC3(C)COC3)CC2)ccc1[N+](=O)[O-] ZINC001256099871 1315904175 /nfs/dbraw/zinc/90/41/75/1315904175.db2.gz ZDSXGTSYXPOWDJ-UHFFFAOYSA-N 1 0 349.431 2.541 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100925 1315905141 /nfs/dbraw/zinc/90/51/41/1315905141.db2.gz VEKNADTZZNSBJP-PHZGNYQRSA-N 1 0 349.406 2.720 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC001318503217 1328621451 /nfs/dbraw/zinc/62/14/51/1328621451.db2.gz NKWCHOBKAXQPQI-SFHVURJKSA-N 1 0 341.415 2.586 20 5 EFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC001258144617 1316124434 /nfs/dbraw/zinc/12/44/34/1316124434.db2.gz DCLXVEZMWZFCHS-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC001261653503 1316423112 /nfs/dbraw/zinc/42/31/12/1316423112.db2.gz NJPDOZVQNBRIGY-UHFFFAOYSA-N 1 0 347.806 2.866 20 5 EFBDRO O=[N+]([O-])c1c(NCC[N@@H+]2CCCOCC2)cccc1C(F)(F)F ZINC001262065633 1316446804 /nfs/dbraw/zinc/44/68/04/1316446804.db2.gz GGNGVEPFFKUCLC-UHFFFAOYSA-N 1 0 333.310 2.748 20 5 EFBDRO CN(C)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001262562627 1316472455 /nfs/dbraw/zinc/47/24/55/1316472455.db2.gz GXWOQDQTDQUIEF-ROUUACIJSA-N 1 0 347.390 2.660 20 5 EFBDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001262562626 1316472500 /nfs/dbraw/zinc/47/25/00/1316472500.db2.gz GXWOQDQTDQUIEF-QZTJIDSGSA-N 1 0 347.390 2.660 20 5 EFBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001263257203 1316524535 /nfs/dbraw/zinc/52/45/35/1316524535.db2.gz OKLFIAQKTKHMRP-WBMJQRKESA-N 1 0 337.807 2.521 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001263626947 1316552247 /nfs/dbraw/zinc/55/22/47/1316552247.db2.gz QSSQGFULRWCEMC-TZMCWYRMSA-N 1 0 336.392 2.598 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001318829757 1328714555 /nfs/dbraw/zinc/71/45/55/1328714555.db2.gz VSNGYPAHHMXGPQ-UHFFFAOYSA-N 1 0 346.431 2.885 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001318900980 1328736424 /nfs/dbraw/zinc/73/64/24/1328736424.db2.gz VMNJSVZZPCHUQS-UHFFFAOYSA-N 1 0 346.431 2.740 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001319388391 1328869039 /nfs/dbraw/zinc/86/90/39/1328869039.db2.gz GARAUSDFTKDBPV-ZDUSSCGKSA-N 1 0 340.387 2.547 20 5 EFBDRO Cc1c(C(=O)OCCOc2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001320184915 1329102062 /nfs/dbraw/zinc/10/20/62/1329102062.db2.gz WQSOEXIGBSRYPN-UHFFFAOYSA-N 1 0 341.323 2.787 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001320540274 1329156850 /nfs/dbraw/zinc/15/68/50/1329156850.db2.gz HOMCQZPDTIQNQN-JSGCOSHPSA-N 1 0 336.392 2.598 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001307209564 1324751120 /nfs/dbraw/zinc/75/11/20/1324751120.db2.gz FSPMECMHFXUAOV-HOCLYGCPSA-N 1 0 334.420 2.601 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1Cl ZINC001320868907 1329312519 /nfs/dbraw/zinc/31/25/19/1329312519.db2.gz FDDCMRQKEMOYTN-AWEZNQCLSA-N 1 0 342.823 2.763 20 5 EFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001320947217 1329323064 /nfs/dbraw/zinc/32/30/64/1329323064.db2.gz TWYZUHZWMWYDJJ-GJZGRUSLSA-N 1 0 336.388 2.813 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321161139 1329351220 /nfs/dbraw/zinc/35/12/20/1329351220.db2.gz HGJMPLZFRGSZQB-KRWDZBQOSA-N 1 0 344.415 2.637 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCN2 ZINC001321176167 1329353125 /nfs/dbraw/zinc/35/31/25/1329353125.db2.gz FGAPWOFPXAKOIX-AWEZNQCLSA-N 1 0 346.431 2.618 20 5 EFBDRO Cc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001321230807 1329360355 /nfs/dbraw/zinc/36/03/55/1329360355.db2.gz FKCHQGJHQDIHEL-UHFFFAOYSA-N 1 0 338.367 2.866 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001321283217 1329367909 /nfs/dbraw/zinc/36/79/09/1329367909.db2.gz RZUTWBHVQWSGDI-GOEBONIOSA-N 1 0 336.432 2.979 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321729799 1329405186 /nfs/dbraw/zinc/40/51/86/1329405186.db2.gz CPMTYKKBCYWLRL-GDBMZVCRSA-N 1 0 334.420 2.609 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321729803 1329405377 /nfs/dbraw/zinc/40/53/77/1329405377.db2.gz CPMTYKKBCYWLRL-HOCLYGCPSA-N 1 0 334.420 2.609 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001321793668 1329409360 /nfs/dbraw/zinc/40/93/60/1329409360.db2.gz LDOAIVKNRAKCPT-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001317924197 1328443652 /nfs/dbraw/zinc/44/36/52/1328443652.db2.gz YTMKFBVUQVLBHC-CHWSQXEVSA-N 1 0 334.420 2.629 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001317989815 1328471476 /nfs/dbraw/zinc/47/14/76/1328471476.db2.gz DWOIMJAAXVIQPA-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001318024301 1328477388 /nfs/dbraw/zinc/47/73/88/1328477388.db2.gz MLCGMFXLRMOROC-UGSOOPFHSA-N 1 0 348.447 2.877 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC001322439668 1329458626 /nfs/dbraw/zinc/45/86/26/1329458626.db2.gz FCZKDWIDTHTHRY-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC001322478686 1329461623 /nfs/dbraw/zinc/46/16/23/1329461623.db2.gz GZMAQLJFIUWWKC-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001322535501 1329465671 /nfs/dbraw/zinc/46/56/71/1329465671.db2.gz RWPUAGASXBOVFR-ZBFHGGJFSA-N 1 0 326.400 2.795 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC001323107009 1329512438 /nfs/dbraw/zinc/51/24/38/1329512438.db2.gz GWDBZYGHCJNARM-ZIAGYGMSSA-N 1 0 331.376 2.528 20 5 EFBDRO C[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC001323272815 1329529732 /nfs/dbraw/zinc/52/97/32/1329529732.db2.gz BSFNBZYSKKMJTL-UONOGXRCSA-N 1 0 346.431 2.740 20 5 EFBDRO C[C@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556104 1329551314 /nfs/dbraw/zinc/55/13/14/1329551314.db2.gz FYLCJWDOYKWQRP-NHYWBVRUSA-N 1 0 328.372 2.939 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001323989713 1329589669 /nfs/dbraw/zinc/58/96/69/1329589669.db2.gz DLLUAUPETOUIOZ-UONOGXRCSA-N 1 0 329.404 2.566 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC001324594998 1329643321 /nfs/dbraw/zinc/64/33/21/1329643321.db2.gz NDNSECGNSMWVIE-GFCCVEGCSA-N 1 0 337.807 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)CCC2 ZINC001324760096 1329656601 /nfs/dbraw/zinc/65/66/01/1329656601.db2.gz IAFBOUMVLQHSCY-DNVCBOLYSA-N 1 0 348.443 2.987 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001324944736 1329661964 /nfs/dbraw/zinc/66/19/64/1329661964.db2.gz JWFVDFSTWUENLJ-UHFFFAOYSA-N 1 0 334.420 2.585 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001325245540 1329676404 /nfs/dbraw/zinc/67/64/04/1329676404.db2.gz ZMLANRWBCBDXEI-YVSFHVDLSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH2+][C@H](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001325321613 1329679653 /nfs/dbraw/zinc/67/96/53/1329679653.db2.gz WDHJLSVXSZDEQM-GFCCVEGCSA-N 1 0 333.388 2.951 20 5 EFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001325840165 1329715815 /nfs/dbraw/zinc/71/58/15/1329715815.db2.gz JQZFTVVACNXFTI-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001325841040 1329715909 /nfs/dbraw/zinc/71/59/09/1329715909.db2.gz UYCOOMAXBLBLJJ-QGZVFWFLSA-N 1 0 334.416 2.957 20 5 EFBDRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001325844614 1329716134 /nfs/dbraw/zinc/71/61/34/1329716134.db2.gz ZDQBNYIUELSDCG-IRXDYDNUSA-N 1 0 334.347 2.745 20 5 EFBDRO CN(C)c1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001326147029 1329734681 /nfs/dbraw/zinc/73/46/81/1329734681.db2.gz PKLPLOHXFBQFEM-SFHVURJKSA-N 1 0 329.400 2.527 20 5 EFBDRO C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC001326806576 1330366540 /nfs/dbraw/zinc/36/65/40/1330366540.db2.gz WCJLXGCUJAHNLG-SJCJKPOMSA-N 1 0 325.368 2.773 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001327149955 1330431179 /nfs/dbraw/zinc/43/11/79/1330431179.db2.gz HSZKXRALBQDYRS-RDTXWAMCSA-N 1 0 342.399 2.917 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327662890 1330505872 /nfs/dbraw/zinc/50/58/72/1330505872.db2.gz RNNZSMGPYIRZMS-VHSXEESVSA-N 1 0 335.795 2.720 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327974090 1330536371 /nfs/dbraw/zinc/53/63/71/1330536371.db2.gz OSEOVIGVVLONGC-HNNXBMFYSA-N 1 0 346.431 2.535 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328002599 1330540458 /nfs/dbraw/zinc/54/04/58/1330540458.db2.gz WRZDKCJGKDWFJE-JTQLQIEISA-N 1 0 335.795 2.945 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001328488452 1330596947 /nfs/dbraw/zinc/59/69/47/1330596947.db2.gz WDUGYFYUYYCSOY-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)c1 ZINC001329364329 1330698771 /nfs/dbraw/zinc/69/87/71/1330698771.db2.gz PSAVZAWWJCKSCR-OAHLLOKOSA-N 1 0 327.388 2.688 20 5 EFBDRO [NH3+]Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001329485087 1330710974 /nfs/dbraw/zinc/71/09/74/1330710974.db2.gz XERCVTMQHIQALD-UHFFFAOYSA-N 1 0 342.399 2.562 20 5 EFBDRO C[N@@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1(C)C ZINC001331906031 1330889194 /nfs/dbraw/zinc/88/91/94/1330889194.db2.gz PNLSXEWNTZZIBZ-UHFFFAOYSA-N 1 0 335.795 2.722 20 5 EFBDRO CCOc1ccc(C(=O)N(C)C2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC001332034600 1330907944 /nfs/dbraw/zinc/90/79/44/1330907944.db2.gz NTTPEISQPSCPHC-UHFFFAOYSA-N 1 0 335.404 2.727 20 5 EFBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001333346322 1331122011 /nfs/dbraw/zinc/12/20/11/1331122011.db2.gz RXACSJCXPBBVSC-HZPDHXFCSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361893 1331125081 /nfs/dbraw/zinc/12/50/81/1331125081.db2.gz AMPLIWLKKRWJHP-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1C ZINC001333643421 1331185994 /nfs/dbraw/zinc/18/59/94/1331185994.db2.gz QGQINWZCZPQBDB-INIZCTEOSA-N 1 0 339.395 2.656 20 5 EFBDRO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC001333664911 1331190756 /nfs/dbraw/zinc/19/07/56/1331190756.db2.gz CFMZWXJTSOUERE-UHFFFAOYSA-N 1 0 342.399 2.629 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001333734616 1331204722 /nfs/dbraw/zinc/20/47/22/1331204722.db2.gz RIAKOFRAIJUBSR-HWKANZROSA-N 1 0 345.443 2.841 20 5 EFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[NH2+]C1 ZINC001333753402 1331207839 /nfs/dbraw/zinc/20/78/39/1331207839.db2.gz ZJYAMDINFTUSOF-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001334169007 1331259272 /nfs/dbraw/zinc/25/92/72/1331259272.db2.gz DKWGAVBMBCXRGR-CQSZACIVSA-N 1 0 348.447 2.646 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001334185231 1331262808 /nfs/dbraw/zinc/26/28/08/1331262808.db2.gz AWMODTRXLLRPIL-XJKSGUPXSA-N 1 0 338.404 2.850 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397537 1331342516 /nfs/dbraw/zinc/34/25/16/1331342516.db2.gz OXZNFZABXFARJS-ZBFHGGJFSA-N 1 0 346.431 2.530 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC001335442928 1331348232 /nfs/dbraw/zinc/34/82/32/1331348232.db2.gz BRQFKHUCXNGXMV-ZACQAIPSSA-N 1 0 342.395 2.555 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC001335442925 1331348359 /nfs/dbraw/zinc/34/83/59/1331348359.db2.gz BRQFKHUCXNGXMV-BBWFWOEESA-N 1 0 342.395 2.555 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001335530084 1331368363 /nfs/dbraw/zinc/36/83/63/1331368363.db2.gz LHNSDFGTCGNPGO-GUYCJALGSA-N 1 0 332.404 2.502 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001335686469 1331390449 /nfs/dbraw/zinc/39/04/49/1331390449.db2.gz CHRXZHXAJQDGSY-UKRRQHHQSA-N 1 0 334.420 2.796 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001335695992 1331392109 /nfs/dbraw/zinc/39/21/09/1331392109.db2.gz MECIMAJNMSXZLY-CYBMUJFWSA-N 1 0 334.420 2.661 20 5 EFBDRO Nc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001336947418 1331520094 /nfs/dbraw/zinc/52/00/94/1331520094.db2.gz ONNCANZPXXQLPK-UHFFFAOYSA-N 1 0 327.388 2.649 20 5 EFBDRO Nc1cc(NCc2ccccc2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001336959884 1331521450 /nfs/dbraw/zinc/52/14/50/1331521450.db2.gz YGWRNOJOPCTAIY-UHFFFAOYSA-N 1 0 327.388 2.780 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001337707556 1331594007 /nfs/dbraw/zinc/59/40/07/1331594007.db2.gz LONMATUIPJJPHE-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1nc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001338095287 1331651931 /nfs/dbraw/zinc/65/19/31/1331651931.db2.gz GNKPVXMYGFMSJV-HOCLYGCPSA-N 1 0 334.420 2.601 20 5 EFBDRO Cc1cccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001338436771 1331707627 /nfs/dbraw/zinc/70/76/27/1331707627.db2.gz QYUHASYIBHCWFS-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO CC1(C)CCCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338504853 1331711915 /nfs/dbraw/zinc/71/19/15/1331711915.db2.gz KIUOMHYUKZGRMI-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066821 1331781795 /nfs/dbraw/zinc/78/17/95/1331781795.db2.gz YVDWGPOCJICRJF-KBPBESRZSA-N 1 0 346.431 2.721 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001339355022 1331847604 /nfs/dbraw/zinc/84/76/04/1331847604.db2.gz QDXNXCBVIRBMSY-UHFFFAOYSA-N 1 0 340.383 2.697 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC001341005573 1332226529 /nfs/dbraw/zinc/22/65/29/1332226529.db2.gz PWZPUDOVOWNWFK-GFCCVEGCSA-N 1 0 343.358 2.820 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341110526 1332234905 /nfs/dbraw/zinc/23/49/05/1332234905.db2.gz XNRUXZBTUWUISN-CYBMUJFWSA-N 1 0 327.384 2.848 20 5 EFBDRO [NH3+]CC1([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC001341456302 1332260747 /nfs/dbraw/zinc/26/07/47/1332260747.db2.gz JXPVOVUIHXYSII-OAHLLOKOSA-N 1 0 335.379 2.858 20 5 EFBDRO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341684267 1332276568 /nfs/dbraw/zinc/27/65/68/1332276568.db2.gz OUJJJSGYBHWMNV-ZDUSSCGKSA-N 1 0 341.367 2.671 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1[N+](=O)[O-] ZINC001341693350 1332277729 /nfs/dbraw/zinc/27/77/29/1332277729.db2.gz WMKYCUPYAZBLQV-LBPRGKRZSA-N 1 0 346.387 2.957 20 5 EFBDRO [NH3+]CCc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001343249581 1332344557 /nfs/dbraw/zinc/34/45/57/1332344557.db2.gz WVUIONACMRPJGF-UHFFFAOYSA-N 1 0 341.411 2.849 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001343544536 1332355775 /nfs/dbraw/zinc/35/57/75/1332355775.db2.gz PWVISOTWUKRDJR-GDBMZVCRSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001344525115 1332461182 /nfs/dbraw/zinc/46/11/82/1332461182.db2.gz ZAJLWOYJNJQEAC-CABCVRRESA-N 1 0 349.431 2.661 20 5 EFBDRO COc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001344750521 1332480231 /nfs/dbraw/zinc/48/02/31/1332480231.db2.gz ZVUQTIPNCQUFKK-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO C[NH2+][C@@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC001344845824 1332487735 /nfs/dbraw/zinc/48/77/35/1332487735.db2.gz FIDVFTRECLXHEF-MRXNPFEDSA-N 1 0 341.411 2.772 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345604662 1332552325 /nfs/dbraw/zinc/55/23/25/1332552325.db2.gz DRJWKFYHUQQFJG-KRWDZBQOSA-N 1 0 342.395 2.613 20 5 EFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001345606478 1332552594 /nfs/dbraw/zinc/55/25/94/1332552594.db2.gz QZVSJHORNYDZDY-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001345634574 1332554472 /nfs/dbraw/zinc/55/44/72/1332554472.db2.gz JGYUFKFPMMHOPQ-DLBZAZTESA-N 1 0 334.347 2.745 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001346263788 1332619453 /nfs/dbraw/zinc/61/94/53/1332619453.db2.gz JHAUAFYREPQAAL-CRAIPNDOSA-N 1 0 333.432 2.625 20 5 EFBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC001346406867 1332637276 /nfs/dbraw/zinc/63/72/76/1332637276.db2.gz FALDLYKVLKPETH-XYPYZODXSA-N 1 0 335.429 2.849 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001346504929 1332649414 /nfs/dbraw/zinc/64/94/14/1332649414.db2.gz MBZNGDXPBGQEDW-KKMIYCERSA-N 1 0 329.400 2.743 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001347891146 1332782045 /nfs/dbraw/zinc/78/20/45/1332782045.db2.gz RTPRNXKNSSYGRD-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC001347890607 1332782244 /nfs/dbraw/zinc/78/22/44/1332782244.db2.gz OWBSAIOWXHJCTE-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001348338979 1332826335 /nfs/dbraw/zinc/82/63/35/1332826335.db2.gz IROXTTAYEPEPFD-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001348545946 1332847142 /nfs/dbraw/zinc/84/71/42/1332847142.db2.gz DPSWPAHOFVJPQO-HNNXBMFYSA-N 1 0 327.388 2.688 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001349913882 1333012926 /nfs/dbraw/zinc/01/29/26/1333012926.db2.gz YKPMOAYZNSNYSI-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001350123924 1333038107 /nfs/dbraw/zinc/03/81/07/1333038107.db2.gz FHQIYTUPOYLTBM-FUNVUKJBSA-N 1 0 336.367 2.823 20 5 EFBDRO CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847076908 1333312427 /nfs/dbraw/zinc/31/24/27/1333312427.db2.gz POFLTSANUNOLHT-HZPDHXFCSA-N 1 0 338.404 2.584 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC000847096464 1333322010 /nfs/dbraw/zinc/32/20/10/1333322010.db2.gz IWFVEQGKLGSIDM-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001353309717 1334082428 /nfs/dbraw/zinc/08/24/28/1334082428.db2.gz HUIBADRPEQWQAZ-KVSKMBFKSA-N 1 0 342.395 2.555 20 5 EFBDRO CC(=O)c1cc(N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001354486375 1334327117 /nfs/dbraw/zinc/32/71/17/1334327117.db2.gz ZZABIHBQVKQMRO-UHFFFAOYSA-N 1 0 347.415 2.535 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848397177 1334706733 /nfs/dbraw/zinc/70/67/33/1334706733.db2.gz VKZHUHSRMHXGGC-CZUORRHYSA-N 1 0 337.807 2.596 20 5 EFBDRO COC(=O)CC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C(C)C ZINC000848478027 1334736084 /nfs/dbraw/zinc/73/60/84/1334736084.db2.gz ATFNJYMBQGOULE-UHFFFAOYSA-N 1 0 346.387 2.689 20 5 EFBDRO CCOC1CC([N@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486314 1334741400 /nfs/dbraw/zinc/74/14/00/1334741400.db2.gz FZMAKOBJXLLXLJ-UHFFFAOYSA-N 1 0 330.388 2.915 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000848524270 1334773133 /nfs/dbraw/zinc/77/31/33/1334773133.db2.gz RMYCMBCSIFSVKL-DYVFJYSZSA-N 1 0 346.358 2.751 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848531693 1334777982 /nfs/dbraw/zinc/77/79/82/1334777982.db2.gz RSVXGKDLRLDGLC-CQSZACIVSA-N 1 0 333.388 2.791 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001356498485 1335044641 /nfs/dbraw/zinc/04/46/41/1335044641.db2.gz GECCGAQLUZXSGZ-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CN(C)c1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356583015 1335057073 /nfs/dbraw/zinc/05/70/73/1335057073.db2.gz IDXXNCHQRNMQAM-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO Cc1ccc(CNC(=[NH2+])NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000849053419 1335060005 /nfs/dbraw/zinc/06/00/05/1335060005.db2.gz GZYQCCCAGCOVQN-UHFFFAOYSA-N 1 0 327.388 2.629 20 5 EFBDRO C[C@](O)(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001356610577 1335063603 /nfs/dbraw/zinc/06/36/03/1335063603.db2.gz SNTOGGRKHMPPNA-MSOLQXFVSA-N 1 0 330.384 2.516 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849065100 1335066924 /nfs/dbraw/zinc/06/69/24/1335066924.db2.gz OTZVFOSMCOMHJR-UHFFFAOYSA-N 1 0 328.372 2.726 20 5 EFBDRO COc1ccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1OC ZINC000849088612 1335073199 /nfs/dbraw/zinc/07/31/99/1335073199.db2.gz PVHRXZZEUPPAQQ-UHFFFAOYSA-N 1 0 344.371 2.791 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCCCC[NH2+]1 ZINC001357261646 1335294846 /nfs/dbraw/zinc/29/48/46/1335294846.db2.gz KRTROWZGTRQVJY-LBPRGKRZSA-N 1 0 340.811 2.580 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001357291339 1335297161 /nfs/dbraw/zinc/29/71/61/1335297161.db2.gz KRUSNTLQRUKEGT-ZFWWWQNUSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357445231 1335308040 /nfs/dbraw/zinc/30/80/40/1335308040.db2.gz KZXXITVOEOJITB-IRXDYDNUSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001357582278 1335318308 /nfs/dbraw/zinc/31/83/08/1335318308.db2.gz NMAYVWFESKFGDD-DYVFJYSZSA-N 1 0 346.431 2.829 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001357644852 1335322115 /nfs/dbraw/zinc/32/21/15/1335322115.db2.gz ZDPAPCWCJUJXLJ-TUAOUCFPSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@@H]1CC[C@H](NCc2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001576670124 1384743295 /nfs/dbraw/zinc/74/32/95/1384743295.db2.gz CYKNQXDOPWQBIJ-ZJUUUORDSA-N 1 0 328.210 2.587 20 5 EFBDRO C[N@H+](CCOC(=O)Cc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC001559829839 1415256740 /nfs/dbraw/zinc/25/67/40/1415256740.db2.gz CZVNAOOTCBBFLU-UHFFFAOYSA-N 1 0 342.395 2.855 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000245927323 1419515693 /nfs/dbraw/zinc/51/56/93/1419515693.db2.gz UHIZSVPBGBVZHI-GUYCJALGSA-N 1 0 330.388 2.711 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1occc1Cl ZINC001020552898 713161763 /nfs/dbraw/zinc/16/17/63/713161763.db2.gz QRUGOJZPVYVAPM-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000804811714 713478585 /nfs/dbraw/zinc/47/85/85/713478585.db2.gz AVMLWEBEWKSLIP-UHFFFAOYSA-N 1 0 337.383 2.563 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000804840418 713543326 /nfs/dbraw/zinc/54/33/26/713543326.db2.gz FJAPKAGHEJRPNU-UHFFFAOYSA-N 1 0 345.359 2.682 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC001021778185 714464428 /nfs/dbraw/zinc/46/44/28/714464428.db2.gz CZIZRBWZDVAVEQ-OKILXGFUSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001021784608 714473440 /nfs/dbraw/zinc/47/34/40/714473440.db2.gz NAMUIJGTWVHFMU-IYBDPMFKSA-N 1 0 325.368 2.645 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001021785609 714474693 /nfs/dbraw/zinc/47/46/93/714474693.db2.gz LTGFMLXZSGWNMK-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001021784700 714474961 /nfs/dbraw/zinc/47/49/61/714474961.db2.gz QPJZUELDBMYDOZ-IYBDPMFKSA-N 1 0 325.368 2.645 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157813713 714523437 /nfs/dbraw/zinc/52/34/37/714523437.db2.gz PQSUIZIISFRXIL-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)o1 ZINC001021840574 714553072 /nfs/dbraw/zinc/55/30/72/714553072.db2.gz PHDOBTHCWOPLNG-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001022009345 714645549 /nfs/dbraw/zinc/64/55/49/714645549.db2.gz LNOZSOPVBLVFCH-GASCZTMLSA-N 1 0 329.356 2.547 20 5 EFBDRO CN(Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCC[N@@H+]1C ZINC000234315016 714649612 /nfs/dbraw/zinc/64/96/12/714649612.db2.gz VDJGOJDDAFORBG-LBPRGKRZSA-N 1 0 342.237 2.883 20 5 EFBDRO O=C(C=C1CCC1)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980953646 717993213 /nfs/dbraw/zinc/99/32/13/717993213.db2.gz VCQPICNUPXNJIV-UHFFFAOYSA-N 1 0 329.400 2.739 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255330917 714677525 /nfs/dbraw/zinc/67/75/25/714677525.db2.gz PNVBUSVIFSPJEV-HMDCADFTSA-N 1 0 333.432 2.649 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000933424978 714775325 /nfs/dbraw/zinc/77/53/25/714775325.db2.gz VXOKMSCHBUERDN-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000933432521 714780872 /nfs/dbraw/zinc/78/08/72/714780872.db2.gz NYQFRVRLTBFDFN-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000891650479 714901054 /nfs/dbraw/zinc/90/10/54/714901054.db2.gz QSFWIGCRKONBOP-LUYZLQTOSA-N 1 0 346.431 2.794 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891792366 715021609 /nfs/dbraw/zinc/02/16/09/715021609.db2.gz HHJIYGGRRSWQOB-CYBMUJFWSA-N 1 0 344.415 2.733 20 5 EFBDRO C[C@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933708605 715023430 /nfs/dbraw/zinc/02/34/30/715023430.db2.gz PUEDZFLTGSLSJX-ZJQCNOOHSA-N 1 0 329.400 2.562 20 5 EFBDRO CC1CC[NH+](CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891830442 715047060 /nfs/dbraw/zinc/04/70/60/715047060.db2.gz RVEDSMOBKOIIBZ-UHFFFAOYSA-N 1 0 344.415 2.591 20 5 EFBDRO Cc1c(CNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000891848434 715063265 /nfs/dbraw/zinc/06/32/65/715063265.db2.gz GHSYBXYQCXXBOH-SFHVURJKSA-N 1 0 346.431 2.578 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000891897047 715100568 /nfs/dbraw/zinc/10/05/68/715100568.db2.gz ATMUWRWLJWPHBT-MJBXVCDLSA-N 1 0 334.420 2.840 20 5 EFBDRO COc1c(O)ccc(C[N@H+](CCCO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000891948847 715168944 /nfs/dbraw/zinc/16/89/44/715168944.db2.gz HRSFZYFHFASDLN-UHFFFAOYSA-N 1 0 326.393 2.540 20 5 EFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]2CO)cc1OC ZINC000934015894 715179005 /nfs/dbraw/zinc/17/90/05/715179005.db2.gz IWMYNORELPLZIM-JSGCOSHPSA-N 1 0 338.404 2.595 20 5 EFBDRO CCC[C@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043819 715180490 /nfs/dbraw/zinc/18/04/90/715180490.db2.gz OPOVCKCXSZDXLI-ZDUSSCGKSA-N 1 0 349.435 2.657 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000891968001 715193592 /nfs/dbraw/zinc/19/35/92/715193592.db2.gz SFKFXKJMXKYVJF-ZDUSSCGKSA-N 1 0 344.415 2.591 20 5 EFBDRO CC[NH+]1CCC(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891981767 715201796 /nfs/dbraw/zinc/20/17/96/715201796.db2.gz AKDCBDBBLCJTRI-UHFFFAOYSA-N 1 0 344.415 2.591 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262413945 715210229 /nfs/dbraw/zinc/21/02/29/715210229.db2.gz QXQWUISHNVYDGT-INIZCTEOSA-N 1 0 343.358 2.659 20 5 EFBDRO CC(=O)N1CCC([N@@H+](Cc2ccccc2[N+](=O)[O-])CC2CC2)CC1 ZINC001039480041 715217027 /nfs/dbraw/zinc/21/70/27/715217027.db2.gz CRTINOJLRFLKHI-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CC[NH+](CC)CCCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892082323 715245372 /nfs/dbraw/zinc/24/53/72/715245372.db2.gz ASEJUZHXLITOLA-UHFFFAOYSA-N 1 0 346.431 2.981 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892103104 715254181 /nfs/dbraw/zinc/25/41/81/715254181.db2.gz HUICFAKIQLHODK-JSGCOSHPSA-N 1 0 337.420 2.614 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892110762 715256559 /nfs/dbraw/zinc/25/65/59/715256559.db2.gz DNJJMZFEQNSNJP-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892122703 715264082 /nfs/dbraw/zinc/26/40/82/715264082.db2.gz ANHDPHFYVSDNJH-CYBMUJFWSA-N 1 0 344.415 2.591 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934237073 715274169 /nfs/dbraw/zinc/27/41/69/715274169.db2.gz VBIIPUXODPRWGO-CHWSQXEVSA-N 1 0 328.372 2.538 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CC2)C1 ZINC001022686356 715303064 /nfs/dbraw/zinc/30/30/64/715303064.db2.gz HWFRJEFQVWGBHE-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985448476 724388954 /nfs/dbraw/zinc/38/89/54/724388954.db2.gz PBGXRGZWGCOTBP-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000984573780 724396866 /nfs/dbraw/zinc/39/68/66/724396866.db2.gz NFNPUDDLFRZSNC-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000893455163 715576183 /nfs/dbraw/zinc/57/61/83/715576183.db2.gz ZCZSUMAXBPGSTL-KGLIPLIRSA-N 1 0 334.420 2.748 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000934574375 715685574 /nfs/dbraw/zinc/68/55/74/715685574.db2.gz GIHRQOHATVUPAF-HZMBPMFUSA-N 1 0 335.429 2.529 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001023013153 716081171 /nfs/dbraw/zinc/08/11/71/716081171.db2.gz HNKCRFVLENCJPL-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000176781763 716134295 /nfs/dbraw/zinc/13/42/95/716134295.db2.gz BFEMCPPDMBMHRI-LBPRGKRZSA-N 1 0 337.395 2.894 20 5 EFBDRO Cn1c2ccccc2c(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1=O ZINC000892339877 716165569 /nfs/dbraw/zinc/16/55/69/716165569.db2.gz LWMANHSTXHLEAK-UHFFFAOYSA-N 1 0 344.415 2.733 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)s1 ZINC001023156924 716179054 /nfs/dbraw/zinc/17/90/54/716179054.db2.gz NTYWOIGDJKYSBA-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCOC1 ZINC000235188409 716667046 /nfs/dbraw/zinc/66/70/46/716667046.db2.gz AFIRBHHHQOLKSW-MWLCHTKSSA-N 1 0 329.194 2.872 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000935277051 716887910 /nfs/dbraw/zinc/88/79/10/716887910.db2.gz QTWNARDOUBTBSI-CQSZACIVSA-N 1 0 339.823 2.780 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893603144 717214335 /nfs/dbraw/zinc/21/43/35/717214335.db2.gz SDADRVCSKKGQBJ-LLVKDONJSA-N 1 0 340.811 2.532 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925761070 717228654 /nfs/dbraw/zinc/22/86/54/717228654.db2.gz ABOGPYOATZQMOM-LBPRGKRZSA-N 1 0 328.210 2.587 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136921309 717768207 /nfs/dbraw/zinc/76/82/07/717768207.db2.gz UYWYMPMICMCCPK-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1c(O)ccc(CNCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000893587520 717808052 /nfs/dbraw/zinc/80/80/52/717808052.db2.gz DCZULGFYDFDHPL-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000893624020 717889167 /nfs/dbraw/zinc/88/91/67/717889167.db2.gz LLRYATAVXGYASC-UONOGXRCSA-N 1 0 338.404 2.991 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000893624022 717889429 /nfs/dbraw/zinc/88/94/29/717889429.db2.gz LLRYATAVXGYASC-ZIAGYGMSSA-N 1 0 338.404 2.991 20 5 EFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880688 718148139 /nfs/dbraw/zinc/14/81/39/718148139.db2.gz FDPMWKAEFGRGHO-HNNXBMFYSA-N 1 0 326.418 2.603 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892558669 718282350 /nfs/dbraw/zinc/28/23/50/718282350.db2.gz ARXBXSNLXQINQH-CYBMUJFWSA-N 1 0 344.415 2.733 20 5 EFBDRO COCc1cccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892589240 718316789 /nfs/dbraw/zinc/31/67/89/718316789.db2.gz MVKWTAPOQFUZSV-UHFFFAOYSA-N 1 0 332.356 2.745 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000892596069 718322327 /nfs/dbraw/zinc/32/23/27/718322327.db2.gz MVFXLEWNSCPKQD-LSDHHAIUSA-N 1 0 331.416 2.958 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000892596067 718322405 /nfs/dbraw/zinc/32/24/05/718322405.db2.gz MVFXLEWNSCPKQD-GJZGRUSLSA-N 1 0 331.416 2.958 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](OC)c2ccccc2)c1[N+](=O)[O-] ZINC000892658117 718385775 /nfs/dbraw/zinc/38/57/75/718385775.db2.gz HVDYFRVKHQDCLN-OAHLLOKOSA-N 1 0 332.356 2.786 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942580 718726058 /nfs/dbraw/zinc/72/60/58/718726058.db2.gz PSRJXBGTYCEUJH-LHARHBNDSA-N 1 0 343.427 2.782 20 5 EFBDRO C/C=C(\C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981698731 718954925 /nfs/dbraw/zinc/95/49/25/718954925.db2.gz JRGAZQKLSFNZSM-CRKCGEKBSA-N 1 0 343.427 2.985 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000893639471 718981449 /nfs/dbraw/zinc/98/14/49/718981449.db2.gz DQWLPIUUIQDAHQ-UHFFFAOYSA-N 1 0 338.820 2.883 20 5 EFBDRO CCC(=O)N1CCC(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029922715 724561293 /nfs/dbraw/zinc/56/12/93/724561293.db2.gz YZBIOILPXPYFLK-UHFFFAOYSA-N 1 0 325.434 2.737 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892807870 719198701 /nfs/dbraw/zinc/19/87/01/719198701.db2.gz ZMJDYCXKEUWYSR-GFCCVEGCSA-N 1 0 327.768 2.569 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892824457 719218899 /nfs/dbraw/zinc/21/88/99/719218899.db2.gz QZFYPCUNCJIYAY-CHWSQXEVSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164643543 719233513 /nfs/dbraw/zinc/23/35/13/719233513.db2.gz ZEBMVSRSDNQFDK-STQMWFEESA-N 1 0 327.388 2.581 20 5 EFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCN(C(=O)C(F)F)CC1 ZINC001029924448 724573309 /nfs/dbraw/zinc/57/33/09/724573309.db2.gz NOILNAIUUZCHOH-UHFFFAOYSA-N 1 0 347.387 2.592 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164633925 719244354 /nfs/dbraw/zinc/24/43/54/719244354.db2.gz LMHYIQJBACWKCH-STQMWFEESA-N 1 0 327.388 2.581 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cccs1 ZINC001025658681 719289361 /nfs/dbraw/zinc/28/93/61/719289361.db2.gz PLYBINKYZWHTJT-FOLVSLTJSA-N 1 0 343.408 2.517 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ccsc1 ZINC001025666975 719290955 /nfs/dbraw/zinc/29/09/55/719290955.db2.gz SOFFEOGICYDWHB-FOLVSLTJSA-N 1 0 343.408 2.517 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019976213 719412641 /nfs/dbraw/zinc/41/26/41/719412641.db2.gz BHYCSNAVGMZFHU-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)o1 ZINC001019990462 719426159 /nfs/dbraw/zinc/42/61/59/719426159.db2.gz PHDOBTHCWOPLNG-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CC1 ZINC001020268092 719476027 /nfs/dbraw/zinc/47/60/27/719476027.db2.gz QIJPPRFQEASTTG-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO COc1cc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000893026465 719487349 /nfs/dbraw/zinc/48/73/49/719487349.db2.gz NKKAEAKJENUNAG-ZFWWWQNUSA-N 1 0 349.431 2.938 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001020328963 719490130 /nfs/dbraw/zinc/49/01/30/719490130.db2.gz TUBWTWJCSBFMQR-HAQNSBGRSA-N 1 0 341.408 2.675 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897332045 724593301 /nfs/dbraw/zinc/59/33/01/724593301.db2.gz AHUXICYGKYWKPA-CYBMUJFWSA-N 1 0 339.823 2.780 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893092696 719625056 /nfs/dbraw/zinc/62/50/56/719625056.db2.gz MVRJQMHWTIENOH-XZJROXQQSA-N 1 0 336.388 2.602 20 5 EFBDRO C[C@]12CN(C(=O)C3CC3)C[C@@]1(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000982183570 719646523 /nfs/dbraw/zinc/64/65/23/719646523.db2.gz CEXZORXJMKKGEC-KDURUIRLSA-N 1 0 343.427 2.675 20 5 EFBDRO C[C@]12CN(C(=O)C3CC3)C[C@@]1(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000982183924 719647227 /nfs/dbraw/zinc/64/72/27/719647227.db2.gz TUJJQEPVJYOWJS-KDURUIRLSA-N 1 0 343.427 2.675 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261635893 719814424 /nfs/dbraw/zinc/81/44/24/719814424.db2.gz FGRWVGFUNMSDFX-PBHICJAKSA-N 1 0 343.358 2.548 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1[N+](=O)[O-] ZINC000893210653 720059795 /nfs/dbraw/zinc/05/97/95/720059795.db2.gz RHAOFQKTEUGSDK-JCURWCKSSA-N 1 0 348.399 2.746 20 5 EFBDRO COc1c(O)ccc(CNCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000893998913 720213222 /nfs/dbraw/zinc/21/32/22/720213222.db2.gz IVHIIGCPJXAVGC-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO CSc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000893999247 720213502 /nfs/dbraw/zinc/21/35/02/720213502.db2.gz DKQULAHCSGONBG-ZDUSSCGKSA-N 1 0 335.433 2.765 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(CC4CCC4)c3)CC2)n1 ZINC000894078215 720271212 /nfs/dbraw/zinc/27/12/12/720271212.db2.gz HKOJKJAAOHMNFG-UHFFFAOYSA-N 1 0 344.419 2.625 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000893284871 720443488 /nfs/dbraw/zinc/44/34/88/720443488.db2.gz KNZRWVHQZIOLCA-UKRRQHHQSA-N 1 0 326.780 2.676 20 5 EFBDRO C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841104576 720702719 /nfs/dbraw/zinc/70/27/19/720702719.db2.gz ZGSHLZGGCKDYMB-AWEZNQCLSA-N 1 0 326.784 2.759 20 5 EFBDRO C[C@@H]1CCC[C@@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000025484256 721108370 /nfs/dbraw/zinc/10/83/70/721108370.db2.gz YYZIUYXMLIXAKZ-VXGBXAGGSA-N 1 0 331.372 2.659 20 5 EFBDRO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000894228590 721336151 /nfs/dbraw/zinc/33/61/51/721336151.db2.gz GIUYLUCQNOAXRI-UHFFFAOYSA-N 1 0 336.369 2.612 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC000983165937 721869639 /nfs/dbraw/zinc/86/96/39/721869639.db2.gz BQPKOUREEMYJJV-MJHDQNEOSA-N 1 0 335.385 2.548 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001165037842 721897117 /nfs/dbraw/zinc/89/71/17/721897117.db2.gz ZMXLIILBAYBJTL-CYBMUJFWSA-N 1 0 327.388 2.582 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001165035822 721898215 /nfs/dbraw/zinc/89/82/15/721898215.db2.gz PAKXVSJSBAEVGR-CYBMUJFWSA-N 1 0 345.378 2.721 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC000983370021 722083578 /nfs/dbraw/zinc/08/35/78/722083578.db2.gz AMTWAXSMFQWJJZ-KOMQPUFPSA-N 1 0 329.400 2.545 20 5 EFBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154425277 728752853 /nfs/dbraw/zinc/75/28/53/728752853.db2.gz SSCJCWVLMGSAOC-LIRRHRJNSA-N 1 0 341.411 2.969 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3c([N+](=O)[O-])cnn3C)C2)s1 ZINC000894371240 722640140 /nfs/dbraw/zinc/64/01/40/722640140.db2.gz AZVPDLXMBDVLJL-CYBMUJFWSA-N 1 0 349.460 2.657 20 5 EFBDRO O=C(C=C1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983452342 722641963 /nfs/dbraw/zinc/64/19/63/722641963.db2.gz QOQWKWFSUWGBQY-WKILWMFISA-N 1 0 329.400 2.690 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC000983547721 722709212 /nfs/dbraw/zinc/70/92/12/722709212.db2.gz VWDBCHUOPKPHPO-YEORSEQZSA-N 1 0 349.412 2.856 20 5 EFBDRO Cn1c2ccccc2c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1=O ZINC000894488751 722753358 /nfs/dbraw/zinc/75/33/58/722753358.db2.gz HXCQPWIDKUNOTP-LBPRGKRZSA-N 1 0 344.415 2.731 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CSC)C2)c1[N+](=O)[O-] ZINC000894599146 722794062 /nfs/dbraw/zinc/79/40/62/722794062.db2.gz PMXOGDPPDGHATB-LLVKDONJSA-N 1 0 326.418 2.884 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000894714127 722823891 /nfs/dbraw/zinc/82/38/91/722823891.db2.gz CQVFKPZIKWIQEQ-LBPRGKRZSA-N 1 0 335.187 2.983 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1Cl ZINC000262074199 722907857 /nfs/dbraw/zinc/90/78/57/722907857.db2.gz SISHLBKCVATUPL-MRXNPFEDSA-N 1 0 332.791 2.790 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1Cl ZINC000262074198 722907913 /nfs/dbraw/zinc/90/79/13/722907913.db2.gz SISHLBKCVATUPL-INIZCTEOSA-N 1 0 332.791 2.790 20 5 EFBDRO C[NH+](C)CC1(O)CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000894952636 723036879 /nfs/dbraw/zinc/03/68/79/723036879.db2.gz BKIRFQLNJWHFEQ-UHFFFAOYSA-N 1 0 348.230 2.795 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000984613084 723176732 /nfs/dbraw/zinc/17/67/32/723176732.db2.gz BUAFEDVWBNXZAS-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896272128 723230142 /nfs/dbraw/zinc/23/01/42/723230142.db2.gz XZSANZKWKFDAKD-UHFFFAOYSA-N 1 0 342.321 2.951 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000896649986 723423208 /nfs/dbraw/zinc/42/32/08/723423208.db2.gz APDNAWUINHUEQQ-NSHDSACASA-N 1 0 335.433 2.766 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC000984779915 723474457 /nfs/dbraw/zinc/47/44/57/723474457.db2.gz KIOAREJSROHBOR-YEORSEQZSA-N 1 0 349.456 2.831 20 5 EFBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1[N+](=O)[O-] ZINC000896827743 723509515 /nfs/dbraw/zinc/50/95/15/723509515.db2.gz BSIKMTLZCGQGPC-NSHDSACASA-N 1 0 344.367 2.922 20 5 EFBDRO C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000895246533 723940871 /nfs/dbraw/zinc/94/08/71/723940871.db2.gz DBYJDGWJPGTRQQ-ZANVPECISA-N 1 0 347.246 2.948 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000895247491 723941711 /nfs/dbraw/zinc/94/17/11/723941711.db2.gz UTKKGZDNQNLYDM-IINYFYTJSA-N 1 0 346.353 2.660 20 5 EFBDRO C[C@H](CCNCc1cc(Br)c([N+](=O)[O-])s1)[NH+](C)C ZINC000895292245 723993690 /nfs/dbraw/zinc/99/36/90/723993690.db2.gz OEFGVUIOAGRPER-MRVPVSSYSA-N 1 0 336.255 2.849 20 5 EFBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895317445 724021968 /nfs/dbraw/zinc/02/19/68/724021968.db2.gz ODIHGHCDSDMPGA-HNNXBMFYSA-N 1 0 345.424 2.938 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985264766 724038891 /nfs/dbraw/zinc/03/88/91/724038891.db2.gz XOPXJIOHFANWNO-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCC2(CSC)CC2)c1[N+](=O)[O-] ZINC000895338370 724047792 /nfs/dbraw/zinc/04/77/92/724047792.db2.gz UVCOAJZCJNKPFV-UHFFFAOYSA-N 1 0 326.418 2.932 20 5 EFBDRO CC(C)C(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985276101 724056325 /nfs/dbraw/zinc/05/63/25/724056325.db2.gz GJLFWOXQVOJZFR-UHFFFAOYSA-N 1 0 325.434 2.735 20 5 EFBDRO Cn1ccnc1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444794988 728869926 /nfs/dbraw/zinc/86/99/26/728869926.db2.gz UFEGKODOGAEWRB-GFCCVEGCSA-N 1 0 340.387 2.584 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCC1 ZINC001059373663 724076625 /nfs/dbraw/zinc/07/66/25/724076625.db2.gz UFTDEXXOYVHOSU-SHTZXODSSA-N 1 0 346.431 2.528 20 5 EFBDRO COc1c(O)ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000895385271 724101777 /nfs/dbraw/zinc/10/17/77/724101777.db2.gz WMEUPANFKZQTMB-AWEZNQCLSA-N 1 0 349.431 2.806 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000895441716 724135189 /nfs/dbraw/zinc/13/51/89/724135189.db2.gz DXRUQHCEBKZBGV-MRXNPFEDSA-N 1 0 342.823 2.906 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897262071 724145628 /nfs/dbraw/zinc/14/56/28/724145628.db2.gz UFJHYVCNUKXGJH-OICCZTGUSA-N 1 0 332.400 2.614 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985364425 724171796 /nfs/dbraw/zinc/17/17/96/724171796.db2.gz SIOMCAJISXQURH-LNKIKWGQSA-N 1 0 331.416 2.984 20 5 EFBDRO Cc1cc(N2CC[C@@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000895525554 724177961 /nfs/dbraw/zinc/17/79/61/724177961.db2.gz YGOVGUMOJCYYLW-GFCCVEGCSA-N 1 0 329.356 2.651 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000895680427 724258770 /nfs/dbraw/zinc/25/87/70/724258770.db2.gz MJXHPCDKYYXBBV-ZCFIWIBFSA-N 1 0 338.166 2.721 20 5 EFBDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711119 724270597 /nfs/dbraw/zinc/27/05/97/724270597.db2.gz YPTMPRDUHPANFY-WSROAFLRSA-N 1 0 334.294 2.528 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895747441 724293281 /nfs/dbraw/zinc/29/32/81/724293281.db2.gz HYOCWMNJKCLWLM-VXGBXAGGSA-N 1 0 349.214 2.921 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900407 724878590 /nfs/dbraw/zinc/87/85/90/724878590.db2.gz LSZURDWPJIEAJE-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000918703325 728912014 /nfs/dbraw/zinc/91/20/14/728912014.db2.gz BDMPISLYKZBKGF-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1(CO)CCCC1 ZINC000930045167 728943983 /nfs/dbraw/zinc/94/39/83/728943983.db2.gz LQQYLOKSFFMVDR-UHFFFAOYSA-N 1 0 329.194 2.752 20 5 EFBDRO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174652147 725518469 /nfs/dbraw/zinc/51/84/69/725518469.db2.gz ZHHVCXWUYSBWBO-LJQANCHMSA-N 1 0 341.411 2.759 20 5 EFBDRO COc1ccc(COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000741013400 725585986 /nfs/dbraw/zinc/58/59/86/725585986.db2.gz JRNWIIYZVOVEOZ-MRXNPFEDSA-N 1 0 336.388 2.767 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929637611 725645510 /nfs/dbraw/zinc/64/55/10/725645510.db2.gz LKEDLOSMPJCZNE-NSHDSACASA-N 1 0 342.237 2.741 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897432778 725758155 /nfs/dbraw/zinc/75/81/55/725758155.db2.gz NMLIRJHTOVGXJU-HNNXBMFYSA-N 1 0 348.447 2.857 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 ZINC000152018717 725905886 /nfs/dbraw/zinc/90/58/86/725905886.db2.gz ZLGZQNCKORTPJP-ZDUSSCGKSA-N 1 0 342.746 2.694 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000897443673 726211100 /nfs/dbraw/zinc/21/11/00/726211100.db2.gz YSXGUXBJMCSEPV-CQSZACIVSA-N 1 0 346.431 2.611 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914292797 726223485 /nfs/dbraw/zinc/22/34/85/726223485.db2.gz AGGULMRAQSBWDI-ZIAGYGMSSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285201 726226662 /nfs/dbraw/zinc/22/66/62/726226662.db2.gz ANMBUHGXDMSQDA-GFCCVEGCSA-N 1 0 348.447 2.726 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285739 726227026 /nfs/dbraw/zinc/22/70/26/726227026.db2.gz LJMMVAHAKIHMKW-MGPQQGTHSA-N 1 0 348.447 2.582 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000915198717 726896067 /nfs/dbraw/zinc/89/60/67/726896067.db2.gz UHHGFXKRTKFMET-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[N@H+](CCc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000731671830 726911907 /nfs/dbraw/zinc/91/19/07/726911907.db2.gz VWOWLGLTXVAUCZ-UHFFFAOYSA-N 1 0 331.347 2.507 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000915355190 726958324 /nfs/dbraw/zinc/95/83/24/726958324.db2.gz IWOTVVODNVFRAH-OAHLLOKOSA-N 1 0 338.310 2.705 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccco4)C3)n2)c1 ZINC000732181794 727001370 /nfs/dbraw/zinc/00/13/70/727001370.db2.gz AGUUGRSVXFABQD-AWEZNQCLSA-N 1 0 339.355 2.893 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000732264827 727011917 /nfs/dbraw/zinc/01/19/17/727011917.db2.gz YCBORAFWPBRVGV-AWEZNQCLSA-N 1 0 325.796 2.691 20 5 EFBDRO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000908054262 727080135 /nfs/dbraw/zinc/08/01/35/727080135.db2.gz PYYNMVPNJFAIFE-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000732567835 727158563 /nfs/dbraw/zinc/15/85/63/727158563.db2.gz VGLWDLUMMXRCMA-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000888283188 727195308 /nfs/dbraw/zinc/19/53/08/727195308.db2.gz JSNPGPRGJLQLNX-UHFFFAOYSA-N 1 0 338.795 2.940 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000888285261 727228580 /nfs/dbraw/zinc/22/85/80/727228580.db2.gz ZHSFZOYNXUVLFJ-NSHDSACASA-N 1 0 340.811 2.972 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910280214 727426694 /nfs/dbraw/zinc/42/66/94/727426694.db2.gz AHPZHJFVFXRYAA-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000910289273 727428020 /nfs/dbraw/zinc/42/80/20/727428020.db2.gz OYSCEHCMTFNWEQ-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296451 727431215 /nfs/dbraw/zinc/43/12/15/727431215.db2.gz NEVACDHENLQSGS-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000911512405 727553572 /nfs/dbraw/zinc/55/35/72/727553572.db2.gz QLAMBMMOMNFNJI-NSHDSACASA-N 1 0 343.786 2.944 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911811021 727602639 /nfs/dbraw/zinc/60/26/39/727602639.db2.gz PFCYSBZLNHLANY-ZWKOTPCHSA-N 1 0 337.379 2.983 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840229 727605906 /nfs/dbraw/zinc/60/59/06/727605906.db2.gz ICZVSHCVAXYNCW-ZWKOTPCHSA-N 1 0 343.427 2.689 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911864146 727608253 /nfs/dbraw/zinc/60/82/53/727608253.db2.gz NCOMLPVUXHTSMI-IRXDYDNUSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000916053886 727652439 /nfs/dbraw/zinc/65/24/39/727652439.db2.gz KFNLAUATAQXVOE-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912149989 727664630 /nfs/dbraw/zinc/66/46/30/727664630.db2.gz HMMBTQULXSWQTG-YGRLFVJLSA-N 1 0 327.812 2.970 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000912151557 727664785 /nfs/dbraw/zinc/66/47/85/727664785.db2.gz YQGKWJDKUFFJDH-OCCSQVGLSA-N 1 0 325.796 2.724 20 5 EFBDRO CC(C)C[C@H]([NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912151428 727664916 /nfs/dbraw/zinc/66/49/16/727664916.db2.gz WRZZYVAUZGALPJ-LBPRGKRZSA-N 1 0 327.812 2.970 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000916568976 727698507 /nfs/dbraw/zinc/69/85/07/727698507.db2.gz SIENZZMUTRPQQZ-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000912574188 727726194 /nfs/dbraw/zinc/72/61/94/727726194.db2.gz VGARWQJZCFLAEX-UHFFFAOYSA-N 1 0 348.447 2.700 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C12CCC2 ZINC000912602119 727729272 /nfs/dbraw/zinc/72/92/72/727729272.db2.gz SRIAMHOIOMCQPF-CHWSQXEVSA-N 1 0 337.807 2.851 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603415 727729449 /nfs/dbraw/zinc/72/94/49/727729449.db2.gz ZOHCINHQXPRQJH-QWHCGFSZSA-N 1 0 337.807 2.851 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1cccc(F)c1 ZINC000912728226 727738513 /nfs/dbraw/zinc/73/85/13/727738513.db2.gz FCNIRDXPHDRFLI-CQSZACIVSA-N 1 0 345.334 2.985 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000912815392 727748853 /nfs/dbraw/zinc/74/88/53/727748853.db2.gz LARMTLBEDSJANC-YOEHRIQHSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912816038 727749038 /nfs/dbraw/zinc/74/90/38/727749038.db2.gz TXNYDLNBOYTODW-CABCVRRESA-N 1 0 349.431 2.552 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000917094400 727768076 /nfs/dbraw/zinc/76/80/76/727768076.db2.gz RTNKDGZSQAVWKE-HTQZYQBOSA-N 1 0 335.713 2.923 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913005697 727768172 /nfs/dbraw/zinc/76/81/72/727768172.db2.gz FZRQJPDADSDSNS-JTQLQIEISA-N 1 0 343.786 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151256621 727814572 /nfs/dbraw/zinc/81/45/72/727814572.db2.gz OVIFHFDPRJMDCU-OAHLLOKOSA-N 1 0 335.385 2.942 20 5 EFBDRO Cc1c(Br)c(N[C@H](C)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165814286 728071831 /nfs/dbraw/zinc/07/18/31/728071831.db2.gz NICSHKUVYZKJHS-NXEZZACHSA-N 1 0 343.225 2.861 20 5 EFBDRO O=C(Cc1ccoc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000991581827 728090601 /nfs/dbraw/zinc/09/06/01/728090601.db2.gz SRGXGPFXHGYRCV-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO O=C(Cc1ccoc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000991604503 728142817 /nfs/dbraw/zinc/14/28/17/728142817.db2.gz MOJBGDUSEDEVQW-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000841102417 728306151 /nfs/dbraw/zinc/30/61/51/728306151.db2.gz BXVCJCULPVXCDH-SKDRFNHKSA-N 1 0 326.784 2.839 20 5 EFBDRO Cc1cccc2c1CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000170921984 728496084 /nfs/dbraw/zinc/49/60/84/728496084.db2.gz VACZZNLIFFZCPA-KRWDZBQOSA-N 1 0 342.395 2.701 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173827590 728636593 /nfs/dbraw/zinc/63/65/93/728636593.db2.gz RBEYTQASNPPKDQ-MRXNPFEDSA-N 1 0 329.400 2.966 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921384767 729301696 /nfs/dbraw/zinc/30/16/96/729301696.db2.gz WZBMFWCTCNKYEH-SCRDCRAPSA-N 1 0 332.404 2.580 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000064620803 729501241 /nfs/dbraw/zinc/50/12/41/729501241.db2.gz WCWFVJUPJGUYTB-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO [NH3+]C1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237820847 729635814 /nfs/dbraw/zinc/63/58/14/729635814.db2.gz DGLROSHIAYGUHU-UHFFFAOYSA-N 1 0 346.412 2.718 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000069248596 729788689 /nfs/dbraw/zinc/78/86/89/729788689.db2.gz TYVBKLUFXQELTP-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000873190912 1126118551 /nfs/dbraw/zinc/11/85/51/1126118551.db2.gz FTRUTGOASNDCRV-LJQANCHMSA-N 1 0 344.411 2.995 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2sc(C[NH3+])nc2C1 ZINC001574979997 1088185466 /nfs/dbraw/zinc/18/54/66/1088185466.db2.gz OTCQIUKCHBWBIR-GHXNOFRVSA-N 1 0 344.440 2.972 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001575069783 1088224680 /nfs/dbraw/zinc/22/46/80/1088224680.db2.gz NCYZGGZVUREXLI-DYVFJYSZSA-N 1 0 339.395 2.529 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC12CCN(c1ncnc3sc([N+](=O)[O-])cc31)CC2 ZINC001575523037 1088530784 /nfs/dbraw/zinc/53/07/84/1088530784.db2.gz OFGOYUGFFMGHNR-ZDUSSCGKSA-N 1 0 347.444 2.814 20 5 EFBDRO CC(C)C[C@@H]([NH3+])CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001575631969 1088603148 /nfs/dbraw/zinc/60/31/48/1088603148.db2.gz ZPMPFNBSCSAIFI-GFCCVEGCSA-N 1 0 347.337 2.993 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575943496 1088792128 /nfs/dbraw/zinc/79/21/28/1088792128.db2.gz XIYHVHGDDGVAHL-ZDUSSCGKSA-N 1 0 342.399 2.904 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576110044 1088939344 /nfs/dbraw/zinc/93/93/44/1088939344.db2.gz XFRPRONZGGPKTG-GWCFXTLKSA-N 1 0 325.796 2.519 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001576388790 1089176161 /nfs/dbraw/zinc/17/61/61/1089176161.db2.gz CGUQYNOZLXOPPN-VQISRLSMSA-N 1 0 327.388 2.727 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001576469662 1089277599 /nfs/dbraw/zinc/27/75/99/1089277599.db2.gz RPEAYVNVLSLDEY-QGZVFWFLSA-N 1 0 349.406 2.513 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001576478631 1089282892 /nfs/dbraw/zinc/28/28/92/1089282892.db2.gz HLZJWVLYYAVWHA-GFCCVEGCSA-N 1 0 330.388 2.584 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001576481327 1089286532 /nfs/dbraw/zinc/28/65/32/1089286532.db2.gz XMIWAFUPFQTGGE-MRXNPFEDSA-N 1 0 346.431 2.657 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001576489994 1089294421 /nfs/dbraw/zinc/29/44/21/1089294421.db2.gz WHEZAQFWGJQDSD-LBPRGKRZSA-N 1 0 328.210 2.587 20 5 EFBDRO C[C@]1(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCC[NH2+]C1 ZINC001576526657 1089310467 /nfs/dbraw/zinc/31/04/67/1089310467.db2.gz WGTMIMICDIIQJN-HNNXBMFYSA-N 1 0 335.795 2.993 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001576596568 1089344984 /nfs/dbraw/zinc/34/49/84/1089344984.db2.gz YTWBAIYAVAIFNY-FRRDWIJNSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001576647582 1089376257 /nfs/dbraw/zinc/37/62/57/1089376257.db2.gz HEHBUWGOUHHRFJ-JFGNBEQYSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[C@@H]1[NH3+] ZINC001576782076 1089456061 /nfs/dbraw/zinc/45/60/61/1089456061.db2.gz DFNBPQXMVMKPJI-RISCZKNCSA-N 1 0 328.372 2.949 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[C@H]1[NH3+] ZINC001576782074 1089456288 /nfs/dbraw/zinc/45/62/88/1089456288.db2.gz DFNBPQXMVMKPJI-BXUZGUMPSA-N 1 0 328.372 2.949 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[C@H]1[NH3+] ZINC001576782077 1089457682 /nfs/dbraw/zinc/45/76/82/1089457682.db2.gz DFNBPQXMVMKPJI-SMDDNHRTSA-N 1 0 328.372 2.949 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576880902 1089504648 /nfs/dbraw/zinc/50/46/48/1089504648.db2.gz SAPLCIZYMUDRLP-UTLUCORTSA-N 1 0 345.321 2.825 20 5 EFBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001576910753 1089523810 /nfs/dbraw/zinc/52/38/10/1089523810.db2.gz WACKGEITHBZFDS-JOYOIKCWSA-N 1 0 349.412 2.652 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001577096168 1089650419 /nfs/dbraw/zinc/65/04/19/1089650419.db2.gz HHSZFCVRQJSYTI-RDJZCZTQSA-N 1 0 345.443 2.954 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001577096682 1089652031 /nfs/dbraw/zinc/65/20/31/1089652031.db2.gz UTKHTAOJOSFSHC-NVXWUHKLSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001577096539 1089652331 /nfs/dbraw/zinc/65/23/31/1089652331.db2.gz QAEBMBSXRYCLAI-VNQPRFMTSA-N 1 0 333.432 2.525 20 5 EFBDRO CCC1([NH3+])CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC001577227896 1089759277 /nfs/dbraw/zinc/75/92/77/1089759277.db2.gz MMFBVZMRXIPBHJ-UHFFFAOYSA-N 1 0 327.331 2.525 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001577303653 1089812704 /nfs/dbraw/zinc/81/27/04/1089812704.db2.gz FACNIEQSAADHGQ-IJEWVQPXSA-N 1 0 335.429 2.557 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001577303652 1089813108 /nfs/dbraw/zinc/81/31/08/1089813108.db2.gz FACNIEQSAADHGQ-DZKIICNBSA-N 1 0 335.429 2.557 20 5 EFBDRO CC[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC001577814343 1090193866 /nfs/dbraw/zinc/19/38/66/1090193866.db2.gz XHSKYLWCQOWTIY-JTQLQIEISA-N 1 0 334.401 2.963 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001578189433 1090298554 /nfs/dbraw/zinc/29/85/54/1090298554.db2.gz HUGWSFHTQHYTNZ-AWEZNQCLSA-N 1 0 343.383 2.892 20 5 EFBDRO CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578224303 1090313432 /nfs/dbraw/zinc/31/34/32/1090313432.db2.gz RBODPKKAUSTUQU-FRFSOERESA-N 1 0 332.404 2.569 20 5 EFBDRO CC[C@H]1[NH2+]CC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001578241838 1090315476 /nfs/dbraw/zinc/31/54/76/1090315476.db2.gz OBTDVDGROUWDDE-NEPJUHHUSA-N 1 0 328.210 2.587 20 5 EFBDRO CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1(C[NH3+])CCCCC1 ZINC001578389352 1090359816 /nfs/dbraw/zinc/35/98/16/1090359816.db2.gz GDHRGRURPABRGF-UHFFFAOYSA-N 1 0 327.331 2.607 20 5 EFBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001578675351 1090418017 /nfs/dbraw/zinc/41/80/17/1090418017.db2.gz NNAKYDGJDHFMHN-HYVNUMGLSA-N 1 0 331.416 2.689 20 5 EFBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001578676650 1090418908 /nfs/dbraw/zinc/41/89/08/1090418908.db2.gz JFFPNBCAYJOPGO-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001578738073 1090430467 /nfs/dbraw/zinc/43/04/67/1090430467.db2.gz XSOISWSTSYKKRQ-CYBMUJFWSA-N 1 0 342.399 2.544 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001578863340 1090456814 /nfs/dbraw/zinc/45/68/14/1090456814.db2.gz ACVQMXUGDJLACF-GOSISDBHSA-N 1 0 349.431 2.891 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001578863341 1090457169 /nfs/dbraw/zinc/45/71/69/1090457169.db2.gz ACVQMXUGDJLACF-SFHVURJKSA-N 1 0 349.431 2.891 20 5 EFBDRO COc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)cc1[N+](=O)[O-] ZINC001579160248 1090531172 /nfs/dbraw/zinc/53/11/72/1090531172.db2.gz NFAPLUFVBJMNGE-HNNXBMFYSA-N 1 0 325.796 2.837 20 5 EFBDRO COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001579189275 1090540177 /nfs/dbraw/zinc/54/01/77/1090540177.db2.gz NAZLNNSLLVSPCG-AWEZNQCLSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193938 1090542226 /nfs/dbraw/zinc/54/22/26/1090542226.db2.gz YDIWXZDLYCGSGA-KZULUSFZSA-N 1 0 343.383 2.655 20 5 EFBDRO COc1ccc(NC(=O)N(C)C2(C[NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC001579228904 1090552130 /nfs/dbraw/zinc/55/21/30/1090552130.db2.gz INMHWMJSNPMQLR-UHFFFAOYSA-N 1 0 336.392 2.729 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001579241729 1090557463 /nfs/dbraw/zinc/55/74/63/1090557463.db2.gz FQXGIRVXHNOQBG-CJNGLKHVSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@H]3CCC[NH2+]CC3)c2c1 ZINC001579260001 1090565394 /nfs/dbraw/zinc/56/53/94/1090565394.db2.gz VEJXSZYEQJWPDV-ZDUSSCGKSA-N 1 0 344.415 2.765 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001579393307 1090604443 /nfs/dbraw/zinc/60/44/43/1090604443.db2.gz NLXDWTNBTQELMX-GFCCVEGCSA-N 1 0 343.408 2.847 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001579480107 1090619894 /nfs/dbraw/zinc/61/98/94/1090619894.db2.gz BXBLIFIFEYYUHL-TZDHZFECSA-N 1 0 331.416 2.940 20 5 EFBDRO C[C@H](OC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579484728 1090621041 /nfs/dbraw/zinc/62/10/41/1090621041.db2.gz HYBNKDLCCCZXPL-ZANVPECISA-N 1 0 332.278 2.741 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC001579577688 1090636719 /nfs/dbraw/zinc/63/67/19/1090636719.db2.gz ZBBORVKPCLIIPI-LBPRGKRZSA-N 1 0 328.372 2.930 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001579608132 1090641824 /nfs/dbraw/zinc/64/18/24/1090641824.db2.gz KPOVKIDJQJURRZ-DOMZBBRYSA-N 1 0 335.379 2.647 20 5 EFBDRO Cc1cc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c2cc([N+](=O)[O-])ccc2n1 ZINC001579635240 1090648172 /nfs/dbraw/zinc/64/81/72/1090648172.db2.gz QNMQIIZUMDFCBF-UHFFFAOYSA-N 1 0 348.362 2.729 20 5 EFBDRO Cc1cc(NC[C@H]2CCCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001579636245 1090648662 /nfs/dbraw/zinc/64/86/62/1090648662.db2.gz XZIYOTNKVOZEHC-OAHLLOKOSA-N 1 0 341.415 2.726 20 5 EFBDRO Cc1cc(OC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c(Cl)cc1[N+](=O)[O-] ZINC001579639291 1090648678 /nfs/dbraw/zinc/64/86/78/1090648678.db2.gz CEHJDRZJSRJFIN-NHYWBVRUSA-N 1 0 326.780 2.704 20 5 EFBDRO Cc1cc(OC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c(Cl)cc1[N+](=O)[O-] ZINC001579639292 1090648758 /nfs/dbraw/zinc/64/87/58/1090648758.db2.gz CEHJDRZJSRJFIN-XHDPSFHLSA-N 1 0 326.780 2.704 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579642351 1090648855 /nfs/dbraw/zinc/64/88/55/1090648855.db2.gz BMOHBNGAJLTDAP-NXEZZACHSA-N 1 0 346.309 2.565 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001579642475 1090649659 /nfs/dbraw/zinc/64/96/59/1090649659.db2.gz HYXPSNICXPQIGZ-FZMZJTMJSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1Cl ZINC001579642763 1090649954 /nfs/dbraw/zinc/64/99/54/1090649954.db2.gz UUUYSXZKIJDJQE-JTQLQIEISA-N 1 0 339.701 2.518 20 5 EFBDRO Cc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1[N+](=O)[O-] ZINC001579723038 1090670900 /nfs/dbraw/zinc/67/09/00/1090670900.db2.gz VTZCGYNSAUZQKZ-UHFFFAOYSA-N 1 0 330.344 2.611 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001579733760 1090673373 /nfs/dbraw/zinc/67/33/73/1090673373.db2.gz BLADHYVXTNQWIN-HNNXBMFYSA-N 1 0 338.367 2.893 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734790 1090674456 /nfs/dbraw/zinc/67/44/56/1090674456.db2.gz MCQHQQWTSDYKKU-KBXCAEBGSA-N 1 0 331.416 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2n1CC[NH2+][C@@H]2C ZINC001579735121 1090674568 /nfs/dbraw/zinc/67/45/68/1090674568.db2.gz YECZZRLQXIBDQP-GFCCVEGCSA-N 1 0 328.372 2.930 20 5 EFBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001579790306 1090688203 /nfs/dbraw/zinc/68/82/03/1090688203.db2.gz QSMNPEURBFAUQB-KRWDZBQOSA-N 1 0 327.384 2.604 20 5 EFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580184339 1090804289 /nfs/dbraw/zinc/80/42/89/1090804289.db2.gz WEQBVNRAPYKFND-LLVKDONJSA-N 1 0 345.321 2.957 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001580228073 1090819667 /nfs/dbraw/zinc/81/96/67/1090819667.db2.gz NQGRYJCIJUIFOV-GVDBMIGSSA-N 1 0 331.416 2.722 20 5 EFBDRO [NH3+]CC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1 ZINC001580245450 1090828407 /nfs/dbraw/zinc/82/84/07/1090828407.db2.gz UMNQHZOKSKJXAD-UHFFFAOYSA-N 1 0 332.404 2.561 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001580331740 1090864463 /nfs/dbraw/zinc/86/44/63/1090864463.db2.gz GZXUWMAHUOKYRF-MGCOHNPYSA-N 1 0 326.784 2.887 20 5 EFBDRO [NH3+]Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(F)c1 ZINC001580337827 1090867855 /nfs/dbraw/zinc/86/78/55/1090867855.db2.gz VOZILZCQJXCZHW-UHFFFAOYSA-N 1 0 343.314 2.869 20 5 EFBDRO [NH3+]Cc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001580347047 1090873171 /nfs/dbraw/zinc/87/31/71/1090873171.db2.gz HTDMLJJMLVNKFI-UHFFFAOYSA-N 1 0 326.356 2.880 20 5 EFBDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001580368796 1090880357 /nfs/dbraw/zinc/88/03/57/1090880357.db2.gz PMTAFHXHFQQVQJ-LSDHHAIUSA-N 1 0 328.372 2.989 20 5 EFBDRO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1c1cccc(F)c1 ZINC001580394982 1090888402 /nfs/dbraw/zinc/88/84/02/1090888402.db2.gz JSWQOWYTIHSMFN-GXTWGEPZSA-N 1 0 336.754 2.713 20 5 EFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001580405015 1090889917 /nfs/dbraw/zinc/88/99/17/1090889917.db2.gz XYBXNNURSZFTIV-HUUCEWRRSA-N 1 0 331.759 2.603 20 5 EFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580481242 1090914281 /nfs/dbraw/zinc/91/42/81/1090914281.db2.gz IEJCLQBKZXYPBK-CFVMTHIKSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001580483891 1090915016 /nfs/dbraw/zinc/91/50/16/1090915016.db2.gz CIBWOHHZTSGHFH-CYBMUJFWSA-N 1 0 339.342 2.509 20 5 EFBDRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001580522074 1090931550 /nfs/dbraw/zinc/93/15/50/1090931550.db2.gz BFYDGUHTOFLBAB-NSHDSACASA-N 1 0 331.397 2.782 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001580573141 1090955221 /nfs/dbraw/zinc/95/52/21/1090955221.db2.gz FMRQIWQCPZUCNU-HOTGVXAUSA-N 1 0 331.416 2.518 20 5 EFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580596577 1090962162 /nfs/dbraw/zinc/96/21/62/1090962162.db2.gz IZGIHVXNKLAGGC-OCCSQVGLSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001580761652 1090999370 /nfs/dbraw/zinc/99/93/70/1090999370.db2.gz VPGRFYDHZKDFGV-GHMZBOCLSA-N 1 0 341.314 2.665 20 5 EFBDRO O=C(Oc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580802619 1091014518 /nfs/dbraw/zinc/01/45/18/1091014518.db2.gz CFFCIEUNSZKKQZ-ZWKOTPCHSA-N 1 0 338.363 2.950 20 5 EFBDRO O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC001580825809 1091022436 /nfs/dbraw/zinc/02/24/36/1091022436.db2.gz ZZCBBFZCVQDDSW-UHFFFAOYSA-N 1 0 343.408 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001580874959 1091031010 /nfs/dbraw/zinc/03/10/10/1091031010.db2.gz QRIWKARRNOIMDB-IINYFYTJSA-N 1 0 329.322 2.797 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC001580875170 1091031165 /nfs/dbraw/zinc/03/11/65/1091031165.db2.gz CDRFFPIIDCMFDK-UKRRQHHQSA-N 1 0 334.326 2.826 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC001580876789 1091031502 /nfs/dbraw/zinc/03/15/02/1091031502.db2.gz UZAIPRPSCIYBHO-CMPLNLGQSA-N 1 0 346.250 2.793 20 5 EFBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104396246 1092409246 /nfs/dbraw/zinc/40/92/46/1092409246.db2.gz UTONLHVIZKPUQH-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC(C)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589321865 1093075523 /nfs/dbraw/zinc/07/55/23/1093075523.db2.gz UZZODJBAMPMMGT-UHFFFAOYSA-N 1 0 338.371 2.800 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001167627929 1093148346 /nfs/dbraw/zinc/14/83/46/1093148346.db2.gz VFQSOTKUPRZOIR-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001590045928 1093241103 /nfs/dbraw/zinc/24/11/03/1093241103.db2.gz FWLKNECSMDIJAH-LBPRGKRZSA-N 1 0 338.371 2.968 20 5 EFBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590352617 1093387464 /nfs/dbraw/zinc/38/74/64/1093387464.db2.gz CGTKBQHKYAHABI-YWVDXFKGSA-N 1 0 342.403 2.953 20 5 EFBDRO CCC(CC)[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001590432240 1093417770 /nfs/dbraw/zinc/41/77/70/1093417770.db2.gz GBAUNKRDAYGHQB-HNNXBMFYSA-N 1 0 347.423 2.553 20 5 EFBDRO CCC(CC)[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001590434824 1093419485 /nfs/dbraw/zinc/41/94/85/1093419485.db2.gz HDVBLSHSCZWEQF-UHFFFAOYSA-N 1 0 330.392 2.928 20 5 EFBDRO CCC(CC)[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001590432721 1093419821 /nfs/dbraw/zinc/41/98/21/1093419821.db2.gz LPNYVJQELDUFNE-CQSZACIVSA-N 1 0 347.423 2.553 20 5 EFBDRO CCC1(CC)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590490687 1093452511 /nfs/dbraw/zinc/45/25/11/1093452511.db2.gz FJBWDMJKFGXJKM-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590687411 1093551193 /nfs/dbraw/zinc/55/11/93/1093551193.db2.gz MWRJPKATKPELNA-LBPRGKRZSA-N 1 0 347.423 2.697 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001591121525 1093665303 /nfs/dbraw/zinc/66/53/03/1093665303.db2.gz SBJXKJDZHIHPPS-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591145847 1093674587 /nfs/dbraw/zinc/67/45/87/1093674587.db2.gz TWNUKGIQFPSNGB-UHFFFAOYSA-N 1 0 342.334 2.546 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC001592166422 1094010604 /nfs/dbraw/zinc/01/06/04/1094010604.db2.gz MRELBEKWKVNSFH-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592259989 1094057024 /nfs/dbraw/zinc/05/70/24/1094057024.db2.gz YEDIAALNRJHWOT-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001593467404 1094312516 /nfs/dbraw/zinc/31/25/16/1094312516.db2.gz PVNUIHAVZMCBKJ-FZMZJTMJSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+]C1(C2CCCCC2)CC1 ZINC001593480903 1094326405 /nfs/dbraw/zinc/32/64/05/1094326405.db2.gz DWKPFCDIFLURAO-UHFFFAOYSA-N 1 0 342.403 2.977 20 5 EFBDRO Cc1nc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218408211 1094539090 /nfs/dbraw/zinc/53/90/90/1094539090.db2.gz ULVIJIIDMRTBGC-VXNVDRBHSA-N 1 0 330.182 2.580 20 5 EFBDRO Cc1nc(O[C@@H]2CC[C@H](C)[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218408210 1094539387 /nfs/dbraw/zinc/53/93/87/1094539387.db2.gz ULVIJIIDMRTBGC-IONNQARKSA-N 1 0 330.182 2.580 20 5 EFBDRO Cc1cc(NC[C@@H]2COC3(CCCC3)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782965192 1094606514 /nfs/dbraw/zinc/60/65/14/1094606514.db2.gz GZQUHBHSRRIJAM-CQSZACIVSA-N 1 0 343.383 2.971 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217970699 1095160464 /nfs/dbraw/zinc/16/04/64/1095160464.db2.gz BNROEZPXVODBFH-JOYOIKCWSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1Br ZINC001217971419 1095170908 /nfs/dbraw/zinc/17/09/08/1095170908.db2.gz HWHIOPIXVGYCJR-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217976750 1095202993 /nfs/dbraw/zinc/20/29/93/1095202993.db2.gz LGXLIIDJDYCJEN-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1Br ZINC001217980745 1095215592 /nfs/dbraw/zinc/21/55/92/1095215592.db2.gz MTKNZTPTDYUXEB-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2C[NH2+]CCC[C@H]2F)c1[N+](=O)[O-] ZINC001217983665 1095245113 /nfs/dbraw/zinc/24/51/13/1095245113.db2.gz WTLSDNLCDVOJMU-ZJUUUORDSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120654 1095639687 /nfs/dbraw/zinc/63/96/87/1095639687.db2.gz WDTAURVUFWPEHT-OLZOCXBDSA-N 1 0 327.178 2.878 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2CCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001218241314 1095902470 /nfs/dbraw/zinc/90/24/70/1095902470.db2.gz ISPRLIGKNNHFJP-GFCCVEGCSA-N 1 0 327.178 2.797 20 5 EFBDRO CCOC(=O)c1cc(-n2nc(C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001167700430 1096024410 /nfs/dbraw/zinc/02/44/10/1096024410.db2.gz HYEXJRUPTHJZKM-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001603883161 1096655073 /nfs/dbraw/zinc/65/50/73/1096655073.db2.gz XSCXSOAJGYHWMA-GYSYKLTISA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001603883163 1096655327 /nfs/dbraw/zinc/65/53/27/1096655327.db2.gz XSCXSOAJGYHWMA-JTNHKYCSSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001604063232 1096716290 /nfs/dbraw/zinc/71/62/90/1096716290.db2.gz XCFXAYLMSDCZRY-CHWSQXEVSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1c2ccccc2CN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605431780 1097123963 /nfs/dbraw/zinc/12/39/63/1097123963.db2.gz HABYLKQYJQZJBU-LLVKDONJSA-N 1 0 336.355 2.852 20 5 EFBDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001609124521 1098158200 /nfs/dbraw/zinc/15/82/00/1098158200.db2.gz CKHIRRMRTFZALY-LLVKDONJSA-N 1 0 330.392 2.833 20 5 EFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609153919 1098171688 /nfs/dbraw/zinc/17/16/88/1098171688.db2.gz FWBJFHFMMJIQOO-GRYCIOLGSA-N 1 0 330.392 2.641 20 5 EFBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609162711 1098176069 /nfs/dbraw/zinc/17/60/69/1098176069.db2.gz IJSQQQNKDFWBKZ-RYUDHWBXSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609163424 1098178285 /nfs/dbraw/zinc/17/82/85/1098178285.db2.gz ZMZCRPLMLLXJFA-FZMZJTMJSA-N 1 0 330.392 2.785 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2nc3ccccc3nc21 ZINC001269504681 1098197866 /nfs/dbraw/zinc/19/78/66/1098197866.db2.gz KMSJEJMEUYHHFF-ROUUACIJSA-N 1 0 332.407 2.702 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(-c2nn[nH]n2)cs1 ZINC001609276316 1098233548 /nfs/dbraw/zinc/23/35/48/1098233548.db2.gz CQFXTTUQEVXVBZ-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000843756665 1099407119 /nfs/dbraw/zinc/40/71/19/1099407119.db2.gz AVTLOWFJSLGEGJ-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000843765493 1099694154 /nfs/dbraw/zinc/69/41/54/1099694154.db2.gz IHHCAPKENWJGQV-VXGBXAGGSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729518381 1100078731 /nfs/dbraw/zinc/07/87/31/1100078731.db2.gz MLTYRYFANQPBKZ-UHFFFAOYSA-N 1 0 348.447 2.870 20 5 EFBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525642 1100212581 /nfs/dbraw/zinc/21/25/81/1100212581.db2.gz JJOSISFCSKNNJA-SGTLLEGYSA-N 1 0 348.447 2.726 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000843776836 1100236845 /nfs/dbraw/zinc/23/68/45/1100236845.db2.gz XYKJUPNSQHLDNN-UHFFFAOYSA-N 1 0 337.395 2.893 20 5 EFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3cccnc3c3ncccc13)CC2 ZINC001271060769 1100433042 /nfs/dbraw/zinc/43/30/42/1100433042.db2.gz AGTNOAADTIAEDM-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167084273 1101510185 /nfs/dbraw/zinc/51/01/85/1101510185.db2.gz HPMYWYHKWFVFJA-UHFFFAOYSA-N 1 0 330.294 2.858 20 5 EFBDRO COc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001167086280 1101539311 /nfs/dbraw/zinc/53/93/11/1101539311.db2.gz XQSSQQHOPAYJGS-UHFFFAOYSA-N 1 0 342.330 2.727 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)n1 ZINC001167207638 1102053269 /nfs/dbraw/zinc/05/32/69/1102053269.db2.gz FNNBVWRJVSAIIY-DYVFJYSZSA-N 1 0 344.802 2.621 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC1 ZINC001167236133 1102112986 /nfs/dbraw/zinc/11/29/86/1102112986.db2.gz AXKWHVAOOXWVIC-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001167238723 1102118644 /nfs/dbraw/zinc/11/86/44/1102118644.db2.gz KIINUCFQJPBQMQ-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001167270017 1102209875 /nfs/dbraw/zinc/20/98/75/1102209875.db2.gz JAQPKJSHHMXRIG-QMMMGPOBSA-N 1 0 331.829 2.656 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc2cc(C[NH3+])cnc21 ZINC001167314574 1102535044 /nfs/dbraw/zinc/53/50/44/1102535044.db2.gz XPOIWTGBVVCPRV-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000588454602 1102675151 /nfs/dbraw/zinc/67/51/51/1102675151.db2.gz XWNYVELRCNDCDL-YFHOEESVSA-N 1 0 331.416 2.846 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000905568522 1103337169 /nfs/dbraw/zinc/33/71/69/1103337169.db2.gz TZPHKGYGKANGPB-AWEZNQCLSA-N 1 0 333.413 2.753 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000905568524 1103337511 /nfs/dbraw/zinc/33/75/11/1103337511.db2.gz TZPHKGYGKANGPB-CQSZACIVSA-N 1 0 333.413 2.753 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841233114 1103436401 /nfs/dbraw/zinc/43/64/01/1103436401.db2.gz LMFQCXDHBZPENX-GARJFASQSA-N 1 0 338.795 2.758 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905641374 1103457531 /nfs/dbraw/zinc/45/75/31/1103457531.db2.gz QNNRZTADDKRTLM-IUODEOHRSA-N 1 0 336.461 2.604 20 5 EFBDRO [NH3+]CCCCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000698118810 1103790928 /nfs/dbraw/zinc/79/09/28/1103790928.db2.gz FXGKVIFPLSHBBW-UHFFFAOYSA-N 1 0 344.209 2.606 20 5 EFBDRO CCOC(=O)C1=C(Nc2ccccc2C[N+](C)(C)CC)[C@@H](C)OC1 ZINC001168162458 1104072447 /nfs/dbraw/zinc/07/24/47/1104072447.db2.gz RPIOLPLYEZCBKJ-CQSZACIVSA-O 1 0 333.452 2.931 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cn(C4CC4)nn3)C2)cc1 ZINC000906306179 1104103238 /nfs/dbraw/zinc/10/32/38/1104103238.db2.gz ZXEQEIKOLUQBJX-AWEZNQCLSA-N 1 0 327.388 2.901 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001168386057 1104171666 /nfs/dbraw/zinc/17/16/66/1104171666.db2.gz RQJCMCHIDQVUAA-UHFFFAOYSA-N 1 0 333.413 2.874 20 5 EFBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906635583 1104387656 /nfs/dbraw/zinc/38/76/56/1104387656.db2.gz ZRTUVRSQDBXJRS-SJORKVTESA-N 1 0 343.427 2.833 20 5 EFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906632540 1104412252 /nfs/dbraw/zinc/41/22/52/1104412252.db2.gz AGDFJQUNRSSUNR-BBWFWOEESA-N 1 0 337.379 2.615 20 5 EFBDRO COc1cc(CN(C)CC[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000929134182 1105782484 /nfs/dbraw/zinc/78/24/84/1105782484.db2.gz UXTUZSJBHLACEP-UHFFFAOYSA-N 1 0 330.384 2.983 20 5 EFBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000897709604 1106059417 /nfs/dbraw/zinc/05/94/17/1106059417.db2.gz GLSDHCDHWMIFNG-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1C ZINC000897866348 1106122751 /nfs/dbraw/zinc/12/27/51/1106122751.db2.gz XBSWCUWVHBDBFL-LBPRGKRZSA-N 1 0 331.416 2.768 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000897891592 1106134000 /nfs/dbraw/zinc/13/40/00/1106134000.db2.gz JWSMNCFBWJOBHY-RHSMWYFYSA-N 1 0 332.356 2.748 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1OC ZINC000903300171 1107116341 /nfs/dbraw/zinc/11/63/41/1107116341.db2.gz WIANHSSAZSJOKH-UMVBOHGHSA-N 1 0 340.445 2.859 20 5 EFBDRO CN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434028 1107164051 /nfs/dbraw/zinc/16/40/51/1107164051.db2.gz TUGOKVYIKRHXFK-VIFPVBQESA-N 1 0 329.198 2.649 20 5 EFBDRO O=C(C1=CCCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000991029341 1107292018 /nfs/dbraw/zinc/29/20/18/1107292018.db2.gz DIRMPOLWXIAHSJ-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000904421249 1107934106 /nfs/dbraw/zinc/93/41/06/1107934106.db2.gz VPRXHQBPBAGRGO-UONOGXRCSA-N 1 0 327.384 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC1(N2CCCC2)COC1 ZINC001168451512 1108648596 /nfs/dbraw/zinc/64/85/96/1108648596.db2.gz MYPIKXXVFSDDFJ-UHFFFAOYSA-N 1 0 345.321 2.890 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167912509 1108688746 /nfs/dbraw/zinc/68/87/46/1108688746.db2.gz OYGPIZYQQFEZML-UHFFFAOYSA-N 1 0 340.405 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNCCOC3CCSCC3)nc2c1 ZINC000898439584 1108936443 /nfs/dbraw/zinc/93/64/43/1108936443.db2.gz FHBNWZQEDCFYAL-UHFFFAOYSA-N 1 0 337.401 2.738 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898593073 1109024323 /nfs/dbraw/zinc/02/43/23/1109024323.db2.gz UQGRPUBIQIQRKT-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)(CCC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1)[N+](=O)[O-] ZINC000899025029 1109175974 /nfs/dbraw/zinc/17/59/74/1109175974.db2.gz ZASYKTGUTGBEJX-UHFFFAOYSA-N 1 0 342.399 2.699 20 5 EFBDRO Cc1cccc(NCCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n1 ZINC000843808399 1109449170 /nfs/dbraw/zinc/44/91/70/1109449170.db2.gz QGWHBTUZBMJWAI-UHFFFAOYSA-N 1 0 332.335 2.588 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000899909843 1109547687 /nfs/dbraw/zinc/54/76/87/1109547687.db2.gz AVKWNSGRCQYKKA-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000899987896 1109574642 /nfs/dbraw/zinc/57/46/42/1109574642.db2.gz LZUPQBXUEYVLHE-UHFFFAOYSA-N 1 0 343.786 2.992 20 5 EFBDRO [NH3+]CC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000159485701 1109661445 /nfs/dbraw/zinc/66/14/45/1109661445.db2.gz NQBLOOPEFCCSEX-UHFFFAOYSA-N 1 0 328.210 2.528 20 5 EFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000159484792 1109661464 /nfs/dbraw/zinc/66/14/64/1109661464.db2.gz HNGRPBGGMIRTCO-UHFFFAOYSA-N 1 0 328.210 2.541 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000159492667 1109665158 /nfs/dbraw/zinc/66/51/58/1109665158.db2.gz HWQXSVHMCJBANP-NXEZZACHSA-N 1 0 328.210 2.540 20 5 EFBDRO CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000159491286 1109665515 /nfs/dbraw/zinc/66/55/15/1109665515.db2.gz WPNOMOYOETZRES-NSHDSACASA-N 1 0 328.210 2.541 20 5 EFBDRO Cc1[nH]ccc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990860210 1109748831 /nfs/dbraw/zinc/74/88/31/1109748831.db2.gz ZPXXDXPDOFCYBB-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878879 1111431473 /nfs/dbraw/zinc/43/14/73/1111431473.db2.gz ZLQDGJLLAGEDEQ-SNVBAGLBSA-N 1 0 345.193 2.924 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001106789300 1111837873 /nfs/dbraw/zinc/83/78/73/1111837873.db2.gz KLXYDMJAJPVBNF-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CC[N@H+](C)CC ZINC001106841853 1111906195 /nfs/dbraw/zinc/90/61/95/1111906195.db2.gz UASUEADHFISPCL-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001106873857 1111939101 /nfs/dbraw/zinc/93/91/01/1111939101.db2.gz GACBPKCZFZWREU-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106874225 1111939499 /nfs/dbraw/zinc/93/94/99/1111939499.db2.gz XMOJIOVGNWZPGF-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001106951375 1118680295 /nfs/dbraw/zinc/68/02/95/1118680295.db2.gz GWDCMGCATQMLMG-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)COC(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000072073669 1119041507 /nfs/dbraw/zinc/04/15/07/1119041507.db2.gz MIWKVPQLAIIAGH-UHFFFAOYSA-N 1 0 335.404 2.895 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053303470 214176909 /nfs/dbraw/zinc/17/69/09/214176909.db2.gz LOMUHOMAHJJEAV-CHWSQXEVSA-N 1 0 348.447 2.785 20 5 EFBDRO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174866726 231328875 /nfs/dbraw/zinc/32/88/75/231328875.db2.gz OZTZKXZSEWVAFD-UHFFFAOYSA-N 1 0 330.388 2.643 20 5 EFBDRO CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000174987917 231360324 /nfs/dbraw/zinc/36/03/24/231360324.db2.gz AHUIWNMMTWNHOA-LBPRGKRZSA-N 1 0 337.763 2.874 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175058143 231377821 /nfs/dbraw/zinc/37/78/21/231377821.db2.gz FIHUPKHIUKXMRF-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175441746 231447913 /nfs/dbraw/zinc/44/79/13/231447913.db2.gz DGVJEQQJRWNEJN-MNOVXSKESA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450808775 282270460 /nfs/dbraw/zinc/27/04/60/282270460.db2.gz JDIWXXJNFZOADY-CQSZACIVSA-N 1 0 343.431 2.595 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000164255486 529799203 /nfs/dbraw/zinc/79/92/03/529799203.db2.gz NAXRQTYSIPUYLE-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130718141 529911666 /nfs/dbraw/zinc/91/16/66/529911666.db2.gz SVFRGMCNGIRGBI-UHFFFAOYSA-N 1 0 345.399 2.619 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155209197 529965717 /nfs/dbraw/zinc/96/57/17/529965717.db2.gz IUGQZJKBUGPAFN-ZDUSSCGKSA-N 1 0 342.399 2.557 20 5 EFBDRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000187136199 530043361 /nfs/dbraw/zinc/04/33/61/530043361.db2.gz XCVQTJJYJXRETJ-UHFFFAOYSA-N 1 0 325.368 2.794 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177923798 232034167 /nfs/dbraw/zinc/03/41/67/232034167.db2.gz RUZBNMLMRKYMLN-LZLYRXPVSA-N 1 0 345.443 2.780 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178131282 232090374 /nfs/dbraw/zinc/09/03/74/232090374.db2.gz WVHAXOACYGFXJR-OAHLLOKOSA-N 1 0 331.416 2.866 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000101659309 219152580 /nfs/dbraw/zinc/15/25/80/219152580.db2.gz SMVWZNRYWZBJFC-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004134248 210129853 /nfs/dbraw/zinc/12/98/53/210129853.db2.gz NCSSTRALCUMWTF-UHFFFAOYSA-N 1 0 340.383 2.775 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681172 232371717 /nfs/dbraw/zinc/37/17/17/232371717.db2.gz BFUATFYLHUJSOH-ZYHUDNBSSA-N 1 0 345.321 2.717 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912166 219172074 /nfs/dbraw/zinc/17/20/74/219172074.db2.gz XWTLFPIQQXGFGD-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000101912605 219172282 /nfs/dbraw/zinc/17/22/82/219172282.db2.gz FHLNPUQIEJNIMZ-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000066534797 215050670 /nfs/dbraw/zinc/05/06/70/215050670.db2.gz ZBOZBIXQMBRIFP-KRWDZBQOSA-N 1 0 333.432 2.924 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000067223913 215124802 /nfs/dbraw/zinc/12/48/02/215124802.db2.gz UWAZZVXBOZRIIU-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](OCCO)C3)o2)c1 ZINC000179576541 233184276 /nfs/dbraw/zinc/18/42/76/233184276.db2.gz FHZJKABQUUBGDI-MRXNPFEDSA-N 1 0 346.383 2.828 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000068476174 215310418 /nfs/dbraw/zinc/31/04/18/215310418.db2.gz XWFYRAMFFJZVBW-GFCCVEGCSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068517327 215314873 /nfs/dbraw/zinc/31/48/73/215314873.db2.gz RBHPRLPUKBJIGD-ZDUSSCGKSA-N 1 0 348.447 2.727 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510121 215314331 /nfs/dbraw/zinc/31/43/31/215314331.db2.gz TVKDUUYWJOACJI-CYBMUJFWSA-N 1 0 348.428 2.580 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181182572 234109677 /nfs/dbraw/zinc/10/96/77/234109677.db2.gz LBANDRPVKGPJLM-ZBFHGGJFSA-N 1 0 330.388 2.549 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000181356004 234161617 /nfs/dbraw/zinc/16/16/17/234161617.db2.gz HZZVCJVEVIAGJX-ROUUACIJSA-N 1 0 344.415 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000181457178 234192945 /nfs/dbraw/zinc/19/29/45/234192945.db2.gz LOMGWYQIJSZYTI-HNNXBMFYSA-N 1 0 337.420 2.619 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000181482185 234200742 /nfs/dbraw/zinc/20/07/42/234200742.db2.gz DKWCHRIHKAQIJO-OAHLLOKOSA-N 1 0 337.420 2.619 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000001820508 209796836 /nfs/dbraw/zinc/79/68/36/209796836.db2.gz NVPKLUNQZLZNDE-SFHVURJKSA-N 1 0 325.368 2.942 20 5 biogenic EFBDRO Cc1cc(NCC2(CO)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181532808 234221690 /nfs/dbraw/zinc/22/16/90/234221690.db2.gz QOWWZLDIZZQEDY-UHFFFAOYSA-N 1 0 331.372 2.652 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570590 234235497 /nfs/dbraw/zinc/23/54/97/234235497.db2.gz JWAJMPPZYYPVRQ-IINYFYTJSA-N 1 0 332.360 2.720 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)s2)cc1 ZINC000353706556 146542386 /nfs/dbraw/zinc/54/23/86/146542386.db2.gz PBOKPUKIIDAZRS-LSDHHAIUSA-N 1 0 348.424 2.953 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000181734905 234303954 /nfs/dbraw/zinc/30/39/54/234303954.db2.gz IEJHZAHBZRSLRY-MRXNPFEDSA-N 1 0 338.429 2.633 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000181773238 234317655 /nfs/dbraw/zinc/31/76/55/234317655.db2.gz VNZRCTDCUXYCQR-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000040105796 213266142 /nfs/dbraw/zinc/26/61/42/213266142.db2.gz JFOMMWWFWCWQRW-UHFFFAOYSA-N 1 0 330.340 2.834 20 5 EFBDRO C[C@H](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183141700 234918280 /nfs/dbraw/zinc/91/82/80/234918280.db2.gz RHEMBUXGNKYLJG-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391282 235044888 /nfs/dbraw/zinc/04/48/88/235044888.db2.gz QWZWPBHSMZWDLP-VXGBXAGGSA-N 1 0 345.403 2.623 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000183473836 235098074 /nfs/dbraw/zinc/09/80/74/235098074.db2.gz WRYBFYPZYLCKIQ-YMTOWFKASA-N 1 0 341.795 2.590 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183620977 235168053 /nfs/dbraw/zinc/16/80/53/235168053.db2.gz CUACGYXSZPUJBV-UHFFFAOYSA-N 1 0 335.408 2.768 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246261824 283093564 /nfs/dbraw/zinc/09/35/64/283093564.db2.gz LBUZLMRJUXIPHA-WCQYABFASA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000184077197 235300334 /nfs/dbraw/zinc/30/03/34/235300334.db2.gz OVLHJMLXIFAOOS-WFASDCNBSA-N 1 0 345.424 2.907 20 5 EFBDRO COc1cc(C[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184268161 235350598 /nfs/dbraw/zinc/35/05/98/235350598.db2.gz BLDADNUWXBMJTF-UHFFFAOYSA-N 1 0 326.368 2.870 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000358300783 283174654 /nfs/dbraw/zinc/17/46/54/283174654.db2.gz IIKZNHXSZCNXAB-CQSZACIVSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+]Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000186471402 235915820 /nfs/dbraw/zinc/91/58/20/235915820.db2.gz HMDKRMFUXJCVLQ-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186752818 236008153 /nfs/dbraw/zinc/00/81/53/236008153.db2.gz JPNAYWDZGFVTRX-LBPRGKRZSA-N 1 0 337.445 2.628 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186849975 236042751 /nfs/dbraw/zinc/04/27/51/236042751.db2.gz UHMYDHIXSPHURU-UHFFFAOYSA-N 1 0 338.429 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186940583 236071590 /nfs/dbraw/zinc/07/15/90/236071590.db2.gz QDNZQVHBAHCNNS-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187180888 236139482 /nfs/dbraw/zinc/13/94/82/236139482.db2.gz JXBGKTMZCLWULU-IFXJQAMLSA-N 1 0 341.411 2.945 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000326581076 283434344 /nfs/dbraw/zinc/43/43/44/283434344.db2.gz ILXAUFYCLZRVFI-INIZCTEOSA-N 1 0 327.384 2.734 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189893979 237366251 /nfs/dbraw/zinc/36/62/51/237366251.db2.gz YTKIIEMCASXRFG-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157868571 283478773 /nfs/dbraw/zinc/47/87/73/283478773.db2.gz VQUDWVUXIHTNIP-AAEUAGOBSA-N 1 0 346.412 2.576 20 5 EFBDRO C[C@H]1[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@@H]1C ZINC000129244135 223035256 /nfs/dbraw/zinc/03/52/56/223035256.db2.gz JRBJHKFHOJKZIW-WOSRLPQWSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000129306689 223042812 /nfs/dbraw/zinc/04/28/12/223042812.db2.gz ULOVJBSBFKRSCL-LBPRGKRZSA-N 1 0 329.198 2.554 20 5 EFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449585524 296022597 /nfs/dbraw/zinc/02/25/97/296022597.db2.gz FGKOQNXEEYPISD-XJFOESAGSA-N 1 0 348.447 2.543 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000131310361 223221702 /nfs/dbraw/zinc/22/17/02/223221702.db2.gz JUBZCYXPDBBQOE-WCBMZHEXSA-N 1 0 341.209 2.789 20 5 EFBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000131482822 223238377 /nfs/dbraw/zinc/23/83/77/223238377.db2.gz QARAUXAKOMOIGK-KRWDZBQOSA-N 1 0 349.456 2.726 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072665951 216289989 /nfs/dbraw/zinc/28/99/89/216289989.db2.gz UWKZPKRYMLIQTI-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072837236 216314186 /nfs/dbraw/zinc/31/41/86/216314186.db2.gz FFXHUOJCKYOULL-HNNXBMFYSA-N 1 0 337.445 2.997 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072834418 216314273 /nfs/dbraw/zinc/31/42/73/216314273.db2.gz OOWCXQFKHQGPOS-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072977004 216335852 /nfs/dbraw/zinc/33/58/52/216335852.db2.gz BSDQWCIPVSBGKZ-AWEZNQCLSA-N 1 0 335.404 2.672 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025810779 212498845 /nfs/dbraw/zinc/49/88/45/212498845.db2.gz WTHARSZGOSMXQV-OAHLLOKOSA-N 1 0 333.413 2.618 20 5 EFBDRO C[C@@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177389114 239371781 /nfs/dbraw/zinc/37/17/81/239371781.db2.gz HOOJPKIDARWSGR-KRWDZBQOSA-N 1 0 347.802 2.781 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000193254797 240080275 /nfs/dbraw/zinc/08/02/75/240080275.db2.gz CNGHWLLPUGTUHM-IOASZLSFSA-N 1 0 331.416 2.898 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000193493005 240187416 /nfs/dbraw/zinc/18/74/16/240187416.db2.gz GDDSNVIQMZPKQJ-UHFFFAOYSA-N 1 0 327.388 2.901 20 5 EFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000193502236 240191723 /nfs/dbraw/zinc/19/17/23/240191723.db2.gz XJWJCBSJJJYXDU-GXSJLCMTSA-N 1 0 344.314 2.628 20 5 EFBDRO CSC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193664183 240255001 /nfs/dbraw/zinc/25/50/01/240255001.db2.gz ZKCLGYFEBXQPIR-UHFFFAOYSA-N 1 0 332.429 2.981 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000194007751 240397869 /nfs/dbraw/zinc/39/78/69/240397869.db2.gz XELUEMOAYNPROQ-AWEZNQCLSA-N 1 0 348.403 2.811 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000216626691 241202046 /nfs/dbraw/zinc/20/20/46/241202046.db2.gz DEHNBZKVMMZITI-QWRGUYRKSA-N 1 0 341.209 2.791 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132892581 223371094 /nfs/dbraw/zinc/37/10/94/223371094.db2.gz RHABVNRXTUSGQC-ZDUSSCGKSA-N 1 0 337.395 2.976 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132988992 223379230 /nfs/dbraw/zinc/37/92/30/223379230.db2.gz PBVWMWLRMGSNNN-WBVHZDCISA-N 1 0 337.395 2.914 20 5 EFBDRO C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000235222177 242281972 /nfs/dbraw/zinc/28/19/72/242281972.db2.gz PIWUMUFJCUJFLM-RKDXNWHRSA-N 1 0 329.198 2.552 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449585522 296104962 /nfs/dbraw/zinc/10/49/62/296104962.db2.gz FGKOQNXEEYPISD-RFQIPJPRSA-N 1 0 348.447 2.543 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000237035407 242453719 /nfs/dbraw/zinc/45/37/19/242453719.db2.gz LWJBITZUCZDYMK-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000236850092 242383143 /nfs/dbraw/zinc/38/31/43/242383143.db2.gz BPWPCYKOGKRGAK-ZDUSSCGKSA-N 1 0 332.404 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412006435 243065684 /nfs/dbraw/zinc/06/56/84/243065684.db2.gz VSXVFBYIYDFQID-UHFFFAOYSA-N 1 0 346.427 2.750 20 5 EFBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000412021689 243075039 /nfs/dbraw/zinc/07/50/39/243075039.db2.gz NERMJMXKSSOWSL-ZDUSSCGKSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056434 243103320 /nfs/dbraw/zinc/10/33/20/243103320.db2.gz OJRPDDAYWZVRQK-OAHLLOKOSA-N 1 0 347.415 2.580 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000412060421 243108684 /nfs/dbraw/zinc/10/86/84/243108684.db2.gz ZUXGCUWAWKWVGR-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO CC(C)[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000245459664 243114151 /nfs/dbraw/zinc/11/41/51/243114151.db2.gz VLPZLJDJZGFGBW-HOTGVXAUSA-N 1 0 349.456 2.774 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000412133238 243159741 /nfs/dbraw/zinc/15/97/41/243159741.db2.gz XKQJDZRXYQYMAQ-JCGIZDLHSA-N 1 0 343.427 2.643 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412155699 243175648 /nfs/dbraw/zinc/17/56/48/243175648.db2.gz IUYFBOYDHRPGQR-UHFFFAOYSA-N 1 0 337.420 2.844 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412361628 243288456 /nfs/dbraw/zinc/28/84/56/243288456.db2.gz IEBOJNGLFAEQAX-RRQGHBQHSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000412364835 243290962 /nfs/dbraw/zinc/29/09/62/243290962.db2.gz JOXPGZSEWSPJHX-DOPJRALCSA-N 1 0 343.427 2.641 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412423211 243309215 /nfs/dbraw/zinc/30/92/15/243309215.db2.gz SSPJRMQENWFBNR-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412338155 243274995 /nfs/dbraw/zinc/27/49/95/243274995.db2.gz NJYYZIDBEYGQIE-XDKFSHSGSA-N 1 0 343.427 2.784 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000247031178 243355958 /nfs/dbraw/zinc/35/59/58/243355958.db2.gz MJOLBCWXQWBXRT-HOTGVXAUSA-N 1 0 332.404 2.536 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413194445 243532855 /nfs/dbraw/zinc/53/28/55/243532855.db2.gz BKRHODOMKNJHAJ-INIZCTEOSA-N 1 0 334.351 2.510 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414163019 244027524 /nfs/dbraw/zinc/02/75/24/244027524.db2.gz FLCZCBWDPNOMLL-WQGACYEGSA-N 1 0 335.404 2.633 20 5 EFBDRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000414121487 244014706 /nfs/dbraw/zinc/01/47/06/244014706.db2.gz ZQCOGQGUWVBJGZ-JTQLQIEISA-N 1 0 335.385 2.731 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199964 244043387 /nfs/dbraw/zinc/04/33/87/244043387.db2.gz LEURIDJHSNFGDV-SGTLLEGYSA-N 1 0 343.383 2.565 20 5 EFBDRO COCC[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209114 244047900 /nfs/dbraw/zinc/04/79/00/244047900.db2.gz SHYOJRBARZHQKQ-BBRMVZONSA-N 1 0 332.404 2.680 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000414279206 244073005 /nfs/dbraw/zinc/07/30/05/244073005.db2.gz YSGUSZAQEREUOO-DHSIGJKJSA-N 1 0 344.415 2.627 20 5 EFBDRO COCC[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414487277 244190971 /nfs/dbraw/zinc/19/09/71/244190971.db2.gz VFQMJQRWQRSTJO-CYBMUJFWSA-N 1 0 332.404 2.758 20 5 EFBDRO CCOC(=O)c1cc(-c2nc(C3([NH3+])CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000414623707 244258201 /nfs/dbraw/zinc/25/82/01/244258201.db2.gz UPFACZCAVZCCJP-UHFFFAOYSA-N 1 0 346.343 2.550 20 5 EFBDRO [NH3+]C1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCC1 ZINC000414612879 244254980 /nfs/dbraw/zinc/25/49/80/244254980.db2.gz FICMFIUQNVHTST-UHFFFAOYSA-N 1 0 327.344 2.778 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414616569 244256794 /nfs/dbraw/zinc/25/67/94/244256794.db2.gz IGHVIXGAFGHVNK-GFCCVEGCSA-N 1 0 342.359 2.876 20 5 EFBDRO Cc1c(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414716108 244302812 /nfs/dbraw/zinc/30/28/12/244302812.db2.gz WVAXCWGMOQVVJW-LSDHHAIUSA-N 1 0 340.383 2.862 20 5 EFBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414765785 244334164 /nfs/dbraw/zinc/33/41/64/244334164.db2.gz GEKVGLMDODSQKK-KRWDZBQOSA-N 1 0 333.363 2.988 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414871705 244378855 /nfs/dbraw/zinc/37/88/55/244378855.db2.gz VHJGRNNUXMUXMY-GFCCVEGCSA-N 1 0 331.372 2.705 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]4C[NH2+]C[C@H]43)cs2)c1 ZINC000414791971 244355821 /nfs/dbraw/zinc/35/58/21/244355821.db2.gz RWHJXEKTTDHXPD-XJKSGUPXSA-N 1 0 344.440 2.902 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874497 244383217 /nfs/dbraw/zinc/38/32/17/244383217.db2.gz BAZGGTBCCMXBKI-RBUKOAKNSA-N 1 0 341.411 2.839 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415662292 244444878 /nfs/dbraw/zinc/44/48/78/244444878.db2.gz RHFIQSMRHXGJLO-DGCLKSJQSA-N 1 0 336.392 2.585 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261907325 244725268 /nfs/dbraw/zinc/72/52/68/244725268.db2.gz XCQAEZKWOUOIEW-MELADBBJSA-N 1 0 349.456 2.533 20 5 EFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000262012044 244760934 /nfs/dbraw/zinc/76/09/34/244760934.db2.gz UNKSEZPZSKOPIE-QGZVFWFLSA-N 1 0 342.399 2.730 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417125254 245032880 /nfs/dbraw/zinc/03/28/80/245032880.db2.gz BFOKIFOINSJQNV-IHRRRGAJSA-N 1 0 334.420 2.720 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417141703 245039912 /nfs/dbraw/zinc/03/99/12/245039912.db2.gz RUACJNVQZQZJDX-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233495 245057452 /nfs/dbraw/zinc/05/74/52/245057452.db2.gz OJAGSELQONALFZ-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418356796 245132912 /nfs/dbraw/zinc/13/29/12/245132912.db2.gz YLZDJLKIQFMIGR-OAHLLOKOSA-N 1 0 348.447 2.905 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000418359232 245134436 /nfs/dbraw/zinc/13/44/36/245134436.db2.gz ZSFIGEVVGGCAQV-QWHCGFSZSA-N 1 0 334.420 2.517 20 5 EFBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418357774 245134926 /nfs/dbraw/zinc/13/49/26/245134926.db2.gz YNTWFAFDCMGFFS-ZFWWWQNUSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351809 296162690 /nfs/dbraw/zinc/16/26/90/296162690.db2.gz LHTAKXAPKYAPNN-PWSUYJOCSA-N 1 0 345.321 2.799 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418424095 245154045 /nfs/dbraw/zinc/15/40/45/245154045.db2.gz JZXGEYBNJXLHJM-YOEHRIQHSA-N 1 0 346.431 2.786 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418460535 245165684 /nfs/dbraw/zinc/16/56/84/245165684.db2.gz HPNUAANZVBRBQH-AWEZNQCLSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)(NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418560323 245194270 /nfs/dbraw/zinc/19/42/70/245194270.db2.gz YSHDZUNEIUXLAN-KRWDZBQOSA-N 1 0 334.420 2.519 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418572758 245197270 /nfs/dbraw/zinc/19/72/70/245197270.db2.gz SWZLULZGZGPNON-UONOGXRCSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418575330 245199854 /nfs/dbraw/zinc/19/98/54/245199854.db2.gz WLDKCLWBZHWDQH-ZIAGYGMSSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418574872 245200212 /nfs/dbraw/zinc/20/02/12/245200212.db2.gz WCBFNIQXUVGIJC-ZIAGYGMSSA-N 1 0 332.404 2.539 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000418610998 245213389 /nfs/dbraw/zinc/21/33/89/245213389.db2.gz HDDIADQSADHGJK-HNNXBMFYSA-N 1 0 348.447 2.907 20 5 EFBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418615703 245213871 /nfs/dbraw/zinc/21/38/71/245213871.db2.gz HKOCOWTWHSAZMZ-HNNXBMFYSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000418610999 245214205 /nfs/dbraw/zinc/21/42/05/245214205.db2.gz HDDIADQSADHGJK-OAHLLOKOSA-N 1 0 348.447 2.907 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418699506 245250044 /nfs/dbraw/zinc/25/00/44/245250044.db2.gz ISMBJLURQBGZIW-ZFWWWQNUSA-N 1 0 334.420 2.611 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000418710156 245255967 /nfs/dbraw/zinc/25/59/67/245255967.db2.gz DUAOTVCYRMMBCB-OLZOCXBDSA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418725309 245262127 /nfs/dbraw/zinc/26/21/27/245262127.db2.gz OXAFGVSRSQDVDK-HIFRSBDPSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418735850 245265461 /nfs/dbraw/zinc/26/54/61/245265461.db2.gz WUNRIZHMDSTCSM-HIFRSBDPSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418767997 245283076 /nfs/dbraw/zinc/28/30/76/245283076.db2.gz LWWLYBRARLNYGU-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO O=C(CC[NH+]1CCC(OC2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000419296518 245371536 /nfs/dbraw/zinc/37/15/36/245371536.db2.gz DJXQRPKNCQDTIB-UHFFFAOYSA-N 1 0 347.415 2.957 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC1(C)C ZINC000419316898 245378485 /nfs/dbraw/zinc/37/84/85/245378485.db2.gz MEVZYCHSGUISJU-GHMZBOCLSA-N 1 0 349.387 2.676 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC1(C)C ZINC000419315951 245378971 /nfs/dbraw/zinc/37/89/71/245378971.db2.gz KSFZXZUYVNGIOT-CABCVRRESA-N 1 0 331.416 2.898 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419377625 245393190 /nfs/dbraw/zinc/39/31/90/245393190.db2.gz UZEZGLJBLXAYMN-YNEHKIRRSA-N 1 0 335.404 2.908 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000110356897 220033030 /nfs/dbraw/zinc/03/30/30/220033030.db2.gz NZAVYZSFSFVZQJ-LBPRGKRZSA-N 1 0 333.413 2.907 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000078410276 217049690 /nfs/dbraw/zinc/04/96/90/217049690.db2.gz LGUKIXFXYCRUBW-ZDUSSCGKSA-N 1 0 346.383 2.653 20 5 EFBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCn1cccn1 ZINC000111283543 220133074 /nfs/dbraw/zinc/13/30/74/220133074.db2.gz JJCUSRLZRQPYKN-UHFFFAOYSA-N 1 0 341.371 2.621 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000080611194 217318437 /nfs/dbraw/zinc/31/84/37/217318437.db2.gz DLWVRWOVZIIWHL-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111831357 220202158 /nfs/dbraw/zinc/20/21/58/220202158.db2.gz SQGHCFOJDIAWTA-CYBMUJFWSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CCC[NH3+] ZINC000340133062 296208471 /nfs/dbraw/zinc/20/84/71/296208471.db2.gz DVTPRMXKJATBSG-SNVBAGLBSA-N 1 0 343.811 2.649 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000421685698 246063454 /nfs/dbraw/zinc/06/34/54/246063454.db2.gz UUTUXWYMARNHHQ-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000264109672 246074430 /nfs/dbraw/zinc/07/44/30/246074430.db2.gz BEMVKMBQVTYQNX-QGZVFWFLSA-N 1 0 349.431 2.730 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000421712038 246078607 /nfs/dbraw/zinc/07/86/07/246078607.db2.gz PPQGIKUGQPETOE-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000150800092 223741843 /nfs/dbraw/zinc/74/18/43/223741843.db2.gz IVYOGHCDSQZZKJ-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000421766411 246106759 /nfs/dbraw/zinc/10/67/59/246106759.db2.gz FCMLHMMXRPOHRN-AWEZNQCLSA-N 1 0 331.416 2.958 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000421769500 246107621 /nfs/dbraw/zinc/10/76/21/246107621.db2.gz SBNCWSFENCMREO-OAHLLOKOSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000421769499 246108406 /nfs/dbraw/zinc/10/84/06/246108406.db2.gz SBNCWSFENCMREO-HNNXBMFYSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150849524 223748885 /nfs/dbraw/zinc/74/88/85/223748885.db2.gz YYOLXHKCBGNYJF-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000264215308 246194918 /nfs/dbraw/zinc/19/49/18/246194918.db2.gz GJJFFMJOOLDCQE-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc1 ZINC000264331245 246361236 /nfs/dbraw/zinc/36/12/36/246361236.db2.gz XAIRWJVTOUUQOO-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO CCOc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1O ZINC000264349344 246387361 /nfs/dbraw/zinc/38/73/61/246387361.db2.gz PKDWGADSOCXMRL-UHFFFAOYSA-N 1 0 332.356 2.998 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422759501 246448281 /nfs/dbraw/zinc/44/82/81/246448281.db2.gz KVGZNTUQVGMXML-NSHDSACASA-N 1 0 343.836 2.680 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261768048 296227672 /nfs/dbraw/zinc/22/76/72/296227672.db2.gz MDMBEZQGFCDFIQ-LBPRGKRZSA-N 1 0 335.747 2.628 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000425353233 247055661 /nfs/dbraw/zinc/05/56/61/247055661.db2.gz PUEUVMIXUNAVLR-SOFGYWHQSA-N 1 0 333.432 2.651 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000264938864 247065825 /nfs/dbraw/zinc/06/58/25/247065825.db2.gz HJWBOYKOXKXKQF-JTQLQIEISA-N 1 0 328.210 2.745 20 5 EFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444130 247088160 /nfs/dbraw/zinc/08/81/60/247088160.db2.gz LVDDHNQQWCVKDO-KGLIPLIRSA-N 1 0 343.221 2.998 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425454866 247091243 /nfs/dbraw/zinc/09/12/43/247091243.db2.gz GYANVPRAJZIJHH-WDEREUQCSA-N 1 0 342.237 2.882 20 5 EFBDRO COC[C@@](C)([NH3+])CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000265007488 247132102 /nfs/dbraw/zinc/13/21/02/247132102.db2.gz GKBYSATVAYXPHF-SFHVURJKSA-N 1 0 343.383 2.602 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3CCO)o2)c1 ZINC000426200598 247246940 /nfs/dbraw/zinc/24/69/40/247246940.db2.gz IFMAPIHRGRDKPL-CQSZACIVSA-N 1 0 331.372 2.639 20 5 EFBDRO COC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000265197361 247289023 /nfs/dbraw/zinc/28/90/23/247289023.db2.gz IVPJWHJNKHDATP-UHFFFAOYSA-N 1 0 336.388 2.851 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000426326606 247262812 /nfs/dbraw/zinc/26/28/12/247262812.db2.gz YPAOIRHPGUIPMD-NSHDSACASA-N 1 0 346.387 2.961 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000427179958 247328150 /nfs/dbraw/zinc/32/81/50/247328150.db2.gz WSRYNNQVBWYQGV-WBVHZDCISA-N 1 0 334.416 2.845 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)cs2)c1 ZINC000427127572 247320373 /nfs/dbraw/zinc/32/03/73/247320373.db2.gz GCKMMMXNOHVDOO-CZUORRHYSA-N 1 0 344.440 2.902 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427802737 247396099 /nfs/dbraw/zinc/39/60/99/247396099.db2.gz WZCIEIIELUZNII-BETUJISGSA-N 1 0 349.456 2.731 20 5 EFBDRO Cc1cc(OCC(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000431360932 247893962 /nfs/dbraw/zinc/89/39/62/247893962.db2.gz DOJIBFIKQZKOGW-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000265993175 248005357 /nfs/dbraw/zinc/00/53/57/248005357.db2.gz IXYIKEMQDUATDU-QGZVFWFLSA-N 1 0 339.395 2.528 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265997545 248011142 /nfs/dbraw/zinc/01/11/42/248011142.db2.gz NHABJTGJKNAADT-CYBMUJFWSA-N 1 0 343.383 2.899 20 5 EFBDRO CCc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000433075176 248013552 /nfs/dbraw/zinc/01/35/52/248013552.db2.gz JVWPUIPZBUVLDX-KRWDZBQOSA-N 1 0 341.411 2.808 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266013439 248029625 /nfs/dbraw/zinc/02/96/25/248029625.db2.gz PIEWGQQJNYSAJA-ZDUSSCGKSA-N 1 0 342.399 2.634 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000266019954 248035028 /nfs/dbraw/zinc/03/50/28/248035028.db2.gz RAJZTHWTZPFRSC-IAGOWNOFSA-N 1 0 334.416 2.655 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266051958 248063065 /nfs/dbraw/zinc/06/30/65/248063065.db2.gz ZCEIOXMVASHTTI-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000266171552 248147333 /nfs/dbraw/zinc/14/73/33/248147333.db2.gz RIIOZTPFDXHYOC-UHFFFAOYSA-N 1 0 348.403 2.839 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000434427303 248152230 /nfs/dbraw/zinc/15/22/30/248152230.db2.gz ZWGCUSSNFSBJDO-ZDUSSCGKSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434423328 248152400 /nfs/dbraw/zinc/15/24/00/248152400.db2.gz DWKQMTLXDOWADE-OAHLLOKOSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000435378963 248233283 /nfs/dbraw/zinc/23/32/83/248233283.db2.gz HGFGOSLPQIYQRV-RYUDHWBXSA-N 1 0 332.429 2.901 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266335314 248252938 /nfs/dbraw/zinc/25/29/38/248252938.db2.gz WNLKTJORTFVKTI-AWEZNQCLSA-N 1 0 337.445 2.630 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266425475 248294578 /nfs/dbraw/zinc/29/45/78/248294578.db2.gz QTWUZQKVUCPWML-LBPRGKRZSA-N 1 0 331.372 2.755 20 5 EFBDRO COc1ccc(OCC[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000266557165 248359276 /nfs/dbraw/zinc/35/92/76/248359276.db2.gz WIDIFKSBGQCMMV-UHFFFAOYSA-N 1 0 338.404 2.872 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266579300 248368805 /nfs/dbraw/zinc/36/88/05/248368805.db2.gz RBGYKZKMSVBYJC-UHFFFAOYSA-N 1 0 348.447 2.699 20 5 EFBDRO CC[NH+](CC)CCN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000427007122 284620393 /nfs/dbraw/zinc/62/03/93/284620393.db2.gz FXJMHAWPMXMEQT-UHFFFAOYSA-N 1 0 345.447 2.672 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000090538094 217937160 /nfs/dbraw/zinc/93/71/60/217937160.db2.gz NTYINVSODXQPLV-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091772229 218063656 /nfs/dbraw/zinc/06/36/56/218063656.db2.gz QEJVXORQTOUWJH-INIZCTEOSA-N 1 0 330.388 2.606 20 5 EFBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092011465 218104597 /nfs/dbraw/zinc/10/45/97/218104597.db2.gz PGOCIPYJLSNFIK-UHFFFAOYSA-N 1 0 331.372 2.798 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441215908 250008761 /nfs/dbraw/zinc/00/87/61/250008761.db2.gz GOFPIMGDGHTTFJ-UHFFFAOYSA-N 1 0 325.368 2.930 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000441543556 250041063 /nfs/dbraw/zinc/04/10/63/250041063.db2.gz RHKXCUHSZDWYBD-AWEZNQCLSA-N 1 0 344.415 2.724 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000093134029 218196683 /nfs/dbraw/zinc/19/66/83/218196683.db2.gz ZFNGHXCYIHJSJH-HNNXBMFYSA-N 1 0 341.415 2.821 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009834730 211126830 /nfs/dbraw/zinc/12/68/30/211126830.db2.gz HHOAXKFNRSHYNB-MRXNPFEDSA-N 1 0 343.383 2.684 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OC ZINC000093761085 218247395 /nfs/dbraw/zinc/24/73/95/218247395.db2.gz OCSZUNUIMBVBRN-GFCCVEGCSA-N 1 0 326.418 2.939 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000444077665 250256316 /nfs/dbraw/zinc/25/63/16/250256316.db2.gz UISPJOONVUZXBB-HIFRSBDPSA-N 1 0 349.434 2.894 20 5 EFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000444764537 250342714 /nfs/dbraw/zinc/34/27/14/250342714.db2.gz YPKJTELCRSSMET-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)C3CCCCC3)nc2c1 ZINC000444684594 250328760 /nfs/dbraw/zinc/32/87/60/250328760.db2.gz NGFHBRJIIVTKFI-AWEZNQCLSA-N 1 0 332.404 2.892 20 5 EFBDRO COc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000444925818 250366561 /nfs/dbraw/zinc/36/65/61/250366561.db2.gz AFIIGVKORRCMCF-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266308659 284776393 /nfs/dbraw/zinc/77/63/93/284776393.db2.gz MCVYJEIPGREEEN-MRXNPFEDSA-N 1 0 333.432 2.815 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NC1CCCCC1 ZINC000449085880 250910186 /nfs/dbraw/zinc/91/01/86/250910186.db2.gz PLJBDIZQGKGTMA-AWEZNQCLSA-N 1 0 333.432 2.954 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000449090560 250912631 /nfs/dbraw/zinc/91/26/31/250912631.db2.gz GZQXOAMDGZCQGC-DOTOQJQBSA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NCc1ccccc1 ZINC000449109739 250920036 /nfs/dbraw/zinc/92/00/36/250920036.db2.gz XYZDSSURNQAWMV-HNNXBMFYSA-N 1 0 341.411 2.822 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000449215925 250957841 /nfs/dbraw/zinc/95/78/41/250957841.db2.gz PHTBWMDEBCVHAB-GDBMZVCRSA-N 1 0 326.400 2.789 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449458000 251032349 /nfs/dbraw/zinc/03/23/49/251032349.db2.gz OSBIPEPKMLTYAZ-KBXCAEBGSA-N 1 0 346.383 2.996 20 5 EFBDRO COC[C@]1(C(=O)OC)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449458641 251033346 /nfs/dbraw/zinc/03/33/46/251033346.db2.gz WLRNTXNVDTTXPH-WAFIBAPDSA-N 1 0 348.399 2.510 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449465692 251035525 /nfs/dbraw/zinc/03/55/25/251035525.db2.gz BDNQIAQRPOSIHU-LLVKDONJSA-N 1 0 348.428 2.909 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000449473957 251037873 /nfs/dbraw/zinc/03/78/73/251037873.db2.gz IRAOBNCVTHYMFO-LBPRGKRZSA-N 1 0 336.388 2.748 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267426920 251048201 /nfs/dbraw/zinc/04/82/01/251048201.db2.gz LOXQVIORKNKYOS-AWEZNQCLSA-N 1 0 342.399 2.677 20 5 EFBDRO Cc1ccncc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449526514 251053365 /nfs/dbraw/zinc/05/33/65/251053365.db2.gz WDSYNHDTIAXQLN-ZDUSSCGKSA-N 1 0 328.372 2.805 20 5 EFBDRO CCn1nnc(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495727 251043138 /nfs/dbraw/zinc/04/31/38/251043138.db2.gz DVKIPTKJTUVHGU-HNNXBMFYSA-N 1 0 329.404 2.894 20 5 EFBDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424115 251044671 /nfs/dbraw/zinc/04/46/71/251044671.db2.gz LCTQRDOTDFIJFC-XJKSGUPXSA-N 1 0 337.420 2.567 20 5 EFBDRO COc1nccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449502673 251044912 /nfs/dbraw/zinc/04/49/12/251044912.db2.gz RULDEINWBDMZGS-CQSZACIVSA-N 1 0 328.372 2.773 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1O ZINC000449508387 251046408 /nfs/dbraw/zinc/04/64/08/251046408.db2.gz HDYLYADBYDVHBV-GUYCJALGSA-N 1 0 340.420 2.688 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449510831 251046587 /nfs/dbraw/zinc/04/65/87/251046587.db2.gz QQEDSODEQUUZOF-SJLPKXTDSA-N 1 0 334.416 2.880 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c2c(c1)COCO2 ZINC000267443714 251062518 /nfs/dbraw/zinc/06/25/18/251062518.db2.gz PSBXIEYXNPXRLE-GFCCVEGCSA-N 1 0 344.371 2.564 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449565762 251067653 /nfs/dbraw/zinc/06/76/53/251067653.db2.gz LDFYSXBZLXPGSR-JTQLQIEISA-N 1 0 334.401 2.576 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000267459487 251076272 /nfs/dbraw/zinc/07/62/72/251076272.db2.gz RFGQTSWFDPPBLC-UKRRQHHQSA-N 1 0 342.399 2.706 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449636949 251088730 /nfs/dbraw/zinc/08/87/30/251088730.db2.gz FOJYBJDGYOFYBL-XQQFMLRXSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267481246 251097930 /nfs/dbraw/zinc/09/79/30/251097930.db2.gz VASBKSBCXZZFRZ-UKRRQHHQSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267481249 251098075 /nfs/dbraw/zinc/09/80/75/251098075.db2.gz VASBKSBCXZZFRZ-ZFWWWQNUSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449696715 251120592 /nfs/dbraw/zinc/12/05/92/251120592.db2.gz KYRDIGFAYOZJDS-FZMZJTMJSA-N 1 0 337.445 2.580 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449746046 251139581 /nfs/dbraw/zinc/13/95/81/251139581.db2.gz QAKHIRQBOFENRW-HFQYIWAZSA-N 1 0 346.431 2.734 20 5 EFBDRO COc1cccnc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449750683 251140600 /nfs/dbraw/zinc/14/06/00/251140600.db2.gz VSGXREQQKYPGPT-GFCCVEGCSA-N 1 0 344.371 2.505 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449755817 251142225 /nfs/dbraw/zinc/14/22/25/251142225.db2.gz PCODKBHPIURJIR-IAGOWNOFSA-N 1 0 340.379 2.983 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000449757315 251142733 /nfs/dbraw/zinc/14/27/33/251142733.db2.gz SDNSXOFQOUDOPV-QZTJIDSGSA-N 1 0 340.379 2.983 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000449757317 251143127 /nfs/dbraw/zinc/14/31/27/251143127.db2.gz SDNSXOFQOUDOPV-ZWKOTPCHSA-N 1 0 340.379 2.983 20 5 EFBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449785109 251154080 /nfs/dbraw/zinc/15/40/80/251154080.db2.gz DHERHECLFFPKCS-CQSZACIVSA-N 1 0 337.420 2.527 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000449768030 251149864 /nfs/dbraw/zinc/14/98/64/251149864.db2.gz FJJXQXBUNDDWIE-GDBMZVCRSA-N 1 0 330.388 2.647 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@H](CCCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449794114 251158012 /nfs/dbraw/zinc/15/80/12/251158012.db2.gz ZTOAXYCJDOFDBS-AWEZNQCLSA-N 1 0 344.415 2.590 20 5 EFBDRO Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450291694 251331274 /nfs/dbraw/zinc/33/12/74/251331274.db2.gz YIJLTMVBXFASIY-INIZCTEOSA-N 1 0 341.415 2.582 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000267734318 251296834 /nfs/dbraw/zinc/29/68/34/251296834.db2.gz AGLLBMSAYZKSAX-CYBMUJFWSA-N 1 0 334.420 2.748 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000267734320 251297828 /nfs/dbraw/zinc/29/78/28/251297828.db2.gz AGLLBMSAYZKSAX-ZDUSSCGKSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH+](C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000450311643 251340467 /nfs/dbraw/zinc/34/04/67/251340467.db2.gz IPYGUDBDXZEQQM-HNNXBMFYSA-N 1 0 332.429 2.892 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000451478617 251577982 /nfs/dbraw/zinc/57/79/82/251577982.db2.gz JXOPERBCNJTFFV-HUUCEWRRSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268129938 251642001 /nfs/dbraw/zinc/64/20/01/251642001.db2.gz PGIAYDKXCLOTKJ-XPTSAGLGSA-N 1 0 338.795 2.852 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453444162 252039448 /nfs/dbraw/zinc/03/94/48/252039448.db2.gz OCDFLCUYXNWUCI-AAEUAGOBSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000268583723 252043353 /nfs/dbraw/zinc/04/33/53/252043353.db2.gz SPOPUBGXHDOAID-AEFFLSMTSA-N 1 0 344.415 2.606 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261597145 285083195 /nfs/dbraw/zinc/08/31/95/285083195.db2.gz OUBZXQOLQCZKNQ-ZDUSSCGKSA-N 1 0 326.194 2.547 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000153572718 224124735 /nfs/dbraw/zinc/12/47/35/224124735.db2.gz SARGDYIAWJGPOR-KDOFPFPSSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153699440 224143369 /nfs/dbraw/zinc/14/33/69/224143369.db2.gz JFSCYVFTFOYDNU-WBVHZDCISA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181646670 533094756 /nfs/dbraw/zinc/09/47/56/533094756.db2.gz CLNHUWBXGPMGFJ-ZBFHGGJFSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521372 533096603 /nfs/dbraw/zinc/09/66/03/533096603.db2.gz UILDXMDFVUQVGV-GDBMZVCRSA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000112560662 220350896 /nfs/dbraw/zinc/35/08/96/220350896.db2.gz BGTBXSUBCKWEJD-GFCCVEGCSA-N 1 0 327.812 2.954 20 5 EFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000112701008 220377913 /nfs/dbraw/zinc/37/79/13/220377913.db2.gz MFAISIRXHCHUPV-CQSZACIVSA-N 1 0 333.432 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420285073 285157838 /nfs/dbraw/zinc/15/78/38/285157838.db2.gz ZEFPRBNKCVAIRZ-KGLIPLIRSA-N 1 0 326.400 2.969 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000364610760 285170634 /nfs/dbraw/zinc/17/06/34/285170634.db2.gz FBAWFYASCMZBTC-SNVBAGLBSA-N 1 0 330.310 2.683 20 5 EFBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153713562 224146373 /nfs/dbraw/zinc/14/63/73/224146373.db2.gz POSPJZCNPJKTGK-LBPRGKRZSA-N 1 0 336.413 2.810 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153970207 224183891 /nfs/dbraw/zinc/18/38/91/224183891.db2.gz UFZSUTCJMHRYNT-PBHICJAKSA-N 1 0 329.400 2.684 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153970124 224184105 /nfs/dbraw/zinc/18/41/05/224184105.db2.gz UFZSUTCJMHRYNT-RHSMWYFYSA-N 1 0 329.400 2.684 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154192672 224217581 /nfs/dbraw/zinc/21/75/81/224217581.db2.gz PTGLQQYDUBDHBO-KCQAQPDRSA-N 1 0 338.404 2.838 20 5 EFBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154453152 224254650 /nfs/dbraw/zinc/25/46/50/224254650.db2.gz OSYXLUVIVPUHNP-KRWDZBQOSA-N 1 0 334.372 2.678 20 5 EFBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154453271 224255066 /nfs/dbraw/zinc/25/50/66/224255066.db2.gz OSYXLUVIVPUHNP-QGZVFWFLSA-N 1 0 334.372 2.678 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174538652 533212346 /nfs/dbraw/zinc/21/23/46/533212346.db2.gz RNHYXEOJKAOZHY-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000269186678 255541833 /nfs/dbraw/zinc/54/18/33/255541833.db2.gz GCWKMWFAVQLYQL-ZWNOBZJWSA-N 1 0 346.412 2.528 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269200226 255544115 /nfs/dbraw/zinc/54/41/15/255544115.db2.gz VSWYFJBVLBFBSQ-UHFFFAOYSA-N 1 0 333.310 2.671 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159010890 533218926 /nfs/dbraw/zinc/21/89/26/533218926.db2.gz WBTQXHSKUHDIMG-BBRMVZONSA-N 1 0 330.388 2.883 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117754822 221086629 /nfs/dbraw/zinc/08/66/29/221086629.db2.gz ZOTKQWPPUNIJFL-GFCCVEGCSA-N 1 0 339.823 2.781 20 5 EFBDRO COc1cc(C[NH2+]CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000117947099 221102185 /nfs/dbraw/zinc/10/21/85/221102185.db2.gz VPXLTJVXEMTSRO-UHFFFAOYSA-N 1 0 338.404 2.787 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000468631354 256017592 /nfs/dbraw/zinc/01/75/92/256017592.db2.gz LBGWQAVMHGNIHX-SKTWIKFTSA-N 1 0 347.459 2.945 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117783168 221088227 /nfs/dbraw/zinc/08/82/27/221088227.db2.gz YXENYMOPBCJTMI-LLVKDONJSA-N 1 0 327.812 2.637 20 5 EFBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118825454 221190784 /nfs/dbraw/zinc/19/07/84/221190784.db2.gz GXPLLANBFITSPW-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)C1CC1 ZINC000119037116 221228483 /nfs/dbraw/zinc/22/84/83/221228483.db2.gz QJWDMJXTYDTOCQ-IAGOWNOFSA-N 1 0 334.416 2.701 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000119074954 221238154 /nfs/dbraw/zinc/23/81/54/221238154.db2.gz CYVXIBKDERGJBC-OAHLLOKOSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119271178 221282299 /nfs/dbraw/zinc/28/22/99/221282299.db2.gz SEQOEVXKERBOPP-ZDUSSCGKSA-N 1 0 344.419 2.669 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119363255 221303932 /nfs/dbraw/zinc/30/39/32/221303932.db2.gz FDAXCPPJYWMPGW-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647854 533343713 /nfs/dbraw/zinc/34/37/13/533343713.db2.gz CUPZOMJRBVCDPT-CQSZACIVSA-N 1 0 327.384 2.904 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCN1CCOCC1 ZINC000344855911 533384308 /nfs/dbraw/zinc/38/43/08/533384308.db2.gz LDBNYKJUDBGPNX-IRVMHKCDSA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000344862876 533409730 /nfs/dbraw/zinc/40/97/30/533409730.db2.gz KWIAQHGXLOOASY-QBLLMVIDSA-N 1 0 332.400 2.926 20 5 EFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000157471175 533421751 /nfs/dbraw/zinc/42/17/51/533421751.db2.gz TVOOQLNJAOUPEJ-ZFWWWQNUSA-N 1 0 331.416 2.505 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000177422023 533530272 /nfs/dbraw/zinc/53/02/72/533530272.db2.gz DRHUKYQFVFQNDE-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000312904930 141486743 /nfs/dbraw/zinc/48/67/43/141486743.db2.gz ZGESNRCXBAXCST-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)C ZINC000338766455 141673570 /nfs/dbraw/zinc/67/35/70/141673570.db2.gz KGSVLBDFZKIMIN-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000340338029 141783521 /nfs/dbraw/zinc/78/35/21/141783521.db2.gz BJRHJJGLNSFOBO-JTQLQIEISA-N 1 0 345.321 2.637 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343381898 141984790 /nfs/dbraw/zinc/98/47/90/141984790.db2.gz DZYBMMRHADWKFZ-WBMJQRKESA-N 1 0 335.404 2.717 20 5 EFBDRO O=C(C1CCC1)N(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343536552 142014344 /nfs/dbraw/zinc/01/43/44/142014344.db2.gz UFVNYWJVWQVXRT-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344445448 142018131 /nfs/dbraw/zinc/01/81/31/142018131.db2.gz XVUWBKWQLVKCED-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO C[C@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000344445713 142018285 /nfs/dbraw/zinc/01/82/85/142018285.db2.gz JVBLADBXCSIUDQ-INIZCTEOSA-N 1 0 333.413 2.969 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)s1 ZINC000344489080 142026650 /nfs/dbraw/zinc/02/66/50/142026650.db2.gz ZCLHGRPCHRDNBS-MLGOLLRUSA-N 1 0 348.424 2.810 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000344498919 142029021 /nfs/dbraw/zinc/02/90/21/142029021.db2.gz LBPVBOXFCJTECV-NSHDSACASA-N 1 0 326.372 2.976 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000344770930 142075403 /nfs/dbraw/zinc/07/54/03/142075403.db2.gz JFAVCQBZNAHOJV-AWEZNQCLSA-N 1 0 345.443 2.779 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000344770931 142075496 /nfs/dbraw/zinc/07/54/96/142075496.db2.gz JFAVCQBZNAHOJV-CQSZACIVSA-N 1 0 345.443 2.779 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCOCC1 ZINC000344790868 142078641 /nfs/dbraw/zinc/07/86/41/142078641.db2.gz JYFOHQWAZVQOHU-PTNGSMBKSA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000344827228 142084831 /nfs/dbraw/zinc/08/48/31/142084831.db2.gz ZDYKKAFTYDVTHO-OVHOFWQVSA-N 1 0 338.429 2.555 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCC1=O ZINC000344842360 142086939 /nfs/dbraw/zinc/08/69/39/142086939.db2.gz BBWNSJIBCVVXJM-QINSGFPZSA-N 1 0 331.416 2.990 20 5 EFBDRO COc1c(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000344870246 142090471 /nfs/dbraw/zinc/09/04/71/142090471.db2.gz SJUYHIALCBSQTI-XYOKQWHBSA-N 1 0 330.388 2.838 20 5 EFBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000344909820 142096109 /nfs/dbraw/zinc/09/61/09/142096109.db2.gz UDWOOQHBECGJPK-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000344961817 142103949 /nfs/dbraw/zinc/10/39/49/142103949.db2.gz HKGHNYMJMOMWJP-LSDHHAIUSA-N 1 0 349.431 2.613 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345907688 142116320 /nfs/dbraw/zinc/11/63/20/142116320.db2.gz OENCTROGRZMJEF-QWHCGFSZSA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346136839 142152835 /nfs/dbraw/zinc/15/28/35/142152835.db2.gz LRTYMUBYZNJCBH-OGHNNQOOSA-N 1 0 331.416 2.706 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346151579 142155807 /nfs/dbraw/zinc/15/58/07/142155807.db2.gz ZEVFWSMVBNRACT-YWPYICTPSA-N 1 0 335.379 2.536 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000346403650 142200232 /nfs/dbraw/zinc/20/02/32/142200232.db2.gz BJAIJHMNAGHAEW-RYUDHWBXSA-N 1 0 336.392 2.550 20 5 EFBDRO C[C@H]1CCC[C@](CNc2ncnc3cccc([N+](=O)[O-])c32)([NH+](C)C)C1 ZINC000347430155 142215321 /nfs/dbraw/zinc/21/53/21/142215321.db2.gz NAFGUXUMHVCVAO-UGSOOPFHSA-N 1 0 343.431 2.882 20 5 EFBDRO O=[N+]([O-])c1cnn(CCN(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000347456543 142220257 /nfs/dbraw/zinc/22/02/57/142220257.db2.gz PDTVZJKCUKGNOY-UHFFFAOYSA-N 1 0 335.452 2.522 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccn1 ZINC000347537216 142232031 /nfs/dbraw/zinc/23/20/31/142232031.db2.gz JKFLSIBSLFNSFS-GFCCVEGCSA-N 1 0 344.371 2.596 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C=C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000347779854 142270770 /nfs/dbraw/zinc/27/07/70/142270770.db2.gz QHBIPUVRMYAANQ-CHWSQXEVSA-N 1 0 344.367 2.890 20 5 EFBDRO C[C@@H](CCNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCCCC1 ZINC000347850143 142281958 /nfs/dbraw/zinc/28/19/58/142281958.db2.gz FHFVFWJENQJCHR-ZDUSSCGKSA-N 1 0 329.404 2.636 20 5 EFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347866923 142284465 /nfs/dbraw/zinc/28/44/65/142284465.db2.gz MIOOAMAGWBYABS-UHFFFAOYSA-N 1 0 344.415 2.560 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000347909203 142291274 /nfs/dbraw/zinc/29/12/74/142291274.db2.gz RNQRRMJSKCCIPX-RWMBFGLXSA-N 1 0 337.395 2.779 20 5 EFBDRO COC(=O)c1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1C ZINC000348047666 142313537 /nfs/dbraw/zinc/31/35/37/142313537.db2.gz UZOSCWWXRMHKAH-UHFFFAOYSA-N 1 0 345.399 2.832 20 5 EFBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660569 142344504 /nfs/dbraw/zinc/34/45/04/142344504.db2.gz CNPXUGPNXDHHLF-ZIAGYGMSSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349979952 142386538 /nfs/dbraw/zinc/38/65/38/142386538.db2.gz XYPYKILRRIZQLW-GOEBONIOSA-N 1 0 348.447 2.929 20 5 EFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000341279801 145025320 /nfs/dbraw/zinc/02/53/20/145025320.db2.gz SOQJYOKCIRJGKP-YOEHRIQHSA-N 1 0 344.415 2.900 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000341279969 145025421 /nfs/dbraw/zinc/02/54/21/145025421.db2.gz WEXGLYJNYYFKND-CQSZACIVSA-N 1 0 333.432 2.815 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cn1 ZINC000341284095 145025839 /nfs/dbraw/zinc/02/58/39/145025839.db2.gz QKDMUVUYOUDRCV-LLVKDONJSA-N 1 0 332.335 2.636 20 5 EFBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000341285795 145026240 /nfs/dbraw/zinc/02/62/40/145026240.db2.gz MCZNZASVNGZCBW-UHFFFAOYSA-N 1 0 335.448 2.882 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000341435469 145051575 /nfs/dbraw/zinc/05/15/75/145051575.db2.gz SCGAXHWOKAFITE-LBPRGKRZSA-N 1 0 334.376 2.549 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342128080 145067001 /nfs/dbraw/zinc/06/70/01/145067001.db2.gz RLLDRNGXKOABBL-RDTXWAMCSA-N 1 0 348.399 2.769 20 5 EFBDRO Cn1nnc2cc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000342220650 145082853 /nfs/dbraw/zinc/08/28/53/145082853.db2.gz CMCLEFDBYWXPKL-UHFFFAOYSA-N 1 0 325.372 2.901 20 5 EFBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000342232288 145084562 /nfs/dbraw/zinc/08/45/62/145084562.db2.gz XUFYQSOGKPCCNT-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO Cn1nncc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000342239582 145085765 /nfs/dbraw/zinc/08/57/65/145085765.db2.gz FMWLMJDTTGEZEP-UHFFFAOYSA-N 1 0 329.385 2.742 20 5 EFBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342350434 145106824 /nfs/dbraw/zinc/10/68/24/145106824.db2.gz YGTAXCXHLQLMBE-UONOGXRCSA-N 1 0 340.445 2.784 20 5 EFBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342354409 145107722 /nfs/dbraw/zinc/10/77/22/145107722.db2.gz IYSPXOQTXYENGY-MRXNPFEDSA-N 1 0 348.374 2.996 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342361293 145108676 /nfs/dbraw/zinc/10/86/76/145108676.db2.gz SQMICFZXYADXBG-CABZTGNLSA-N 1 0 326.784 2.852 20 5 EFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000342401907 145117344 /nfs/dbraw/zinc/11/73/44/145117344.db2.gz ZRETUQPDGNMZDG-IBGZPJMESA-N 1 0 341.411 2.962 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000342440954 145126741 /nfs/dbraw/zinc/12/67/41/145126741.db2.gz LIVZRJNJOUMIQV-YESZJQIVSA-N 1 0 331.416 2.640 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H]1CCCO1 ZINC000342583707 145153270 /nfs/dbraw/zinc/15/32/70/145153270.db2.gz AYDVEAPBQZKELO-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000342808262 145198444 /nfs/dbraw/zinc/19/84/44/145198444.db2.gz AVGQXJCLJGYNJF-XYJFISCASA-N 1 0 343.427 2.964 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912269 145220271 /nfs/dbraw/zinc/22/02/71/145220271.db2.gz BMRRGSJLMLHWAE-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342929643 145223330 /nfs/dbraw/zinc/22/33/30/145223330.db2.gz QESMBIQPMDEXJY-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343547441 145234525 /nfs/dbraw/zinc/23/45/25/145234525.db2.gz JFRUAUZGBAPSFQ-OAHLLOKOSA-N 1 0 344.419 2.762 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343571988 145242232 /nfs/dbraw/zinc/24/22/32/145242232.db2.gz NZKSWFAUJFYBJB-CQSZACIVSA-N 1 0 339.823 2.781 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343695057 145273008 /nfs/dbraw/zinc/27/30/08/145273008.db2.gz BMGKZXISNMVZQG-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000343721076 145279238 /nfs/dbraw/zinc/27/92/38/145279238.db2.gz WFGGWRRTSWACRR-GFCCVEGCSA-N 1 0 330.388 2.782 20 5 EFBDRO CC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000343886553 145317246 /nfs/dbraw/zinc/31/72/46/145317246.db2.gz RADHZJJMDWVDCW-AWEZNQCLSA-N 1 0 331.416 2.996 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344032205 145350681 /nfs/dbraw/zinc/35/06/81/145350681.db2.gz PSGOWYLPGBSQTP-UHFFFAOYSA-N 1 0 342.871 2.564 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203119 145391236 /nfs/dbraw/zinc/39/12/36/145391236.db2.gz BOZHRGWTWWAKJL-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000344209939 145393679 /nfs/dbraw/zinc/39/36/79/145393679.db2.gz KBROGVVUOBLIFR-SJCJKPOMSA-N 1 0 337.395 2.974 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000344220817 145395023 /nfs/dbraw/zinc/39/50/23/145395023.db2.gz OYDFPPNSSKRIBE-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1nccn1C ZINC000344258222 145406313 /nfs/dbraw/zinc/40/63/13/145406313.db2.gz YMRGOFHDSVJATN-FRFSOERESA-N 1 0 344.415 2.769 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000347381439 145855021 /nfs/dbraw/zinc/85/50/21/145855021.db2.gz WNGJPSKTLWBUKA-ABAIWWIYSA-N 1 0 325.434 2.897 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000348904421 146022614 /nfs/dbraw/zinc/02/26/14/146022614.db2.gz MPEHOMALCMLDKG-UHFFFAOYSA-N 1 0 345.399 2.886 20 5 EFBDRO [NH3+]CCN(Cc1ccc(Br)o1)c1ccccc1[N+](=O)[O-] ZINC000348921464 146024402 /nfs/dbraw/zinc/02/44/02/146024402.db2.gz MWZRORNZOBTJMH-UHFFFAOYSA-N 1 0 340.177 2.916 20 5 EFBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000351196344 146115611 /nfs/dbraw/zinc/11/56/11/146115611.db2.gz BKKWFTIDXQRPDO-ABAIWWIYSA-N 1 0 338.795 2.811 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000351596141 146154908 /nfs/dbraw/zinc/15/49/08/146154908.db2.gz SXUPROYUAWBGKB-UHFFFAOYSA-N 1 0 346.431 2.775 20 5 EFBDRO COc1cc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638718 146165353 /nfs/dbraw/zinc/16/53/53/146165353.db2.gz YMVQJPPNVUFRIC-AAEUAGOBSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638719 146165367 /nfs/dbraw/zinc/16/53/67/146165367.db2.gz YMVQJPPNVUFRIC-DGCLKSJQSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351660260 146170825 /nfs/dbraw/zinc/17/08/25/146170825.db2.gz BNYLTPIQURADML-KCQAQPDRSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351745385 146193788 /nfs/dbraw/zinc/19/37/88/146193788.db2.gz YNXYENNPTGXJBY-NHYWBVRUSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351831068 146213621 /nfs/dbraw/zinc/21/36/21/146213621.db2.gz VFYQVXBIQAAFKV-JQWIXIFHSA-N 1 0 346.412 2.528 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000351963405 146250278 /nfs/dbraw/zinc/25/02/78/146250278.db2.gz HBQLGOQUVFWBQL-UHFFFAOYSA-N 1 0 345.346 2.610 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000352010191 146263809 /nfs/dbraw/zinc/26/38/09/146263809.db2.gz ZTAVCKUVVZRYJN-LLVKDONJSA-N 1 0 327.331 2.901 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352109344 146291697 /nfs/dbraw/zinc/29/16/97/146291697.db2.gz HJKDCGQICDAXCP-ZFWWWQNUSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000352158883 146304248 /nfs/dbraw/zinc/30/42/48/146304248.db2.gz OQAJDZURTYMRGJ-NSHDSACASA-N 1 0 327.340 2.891 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000352876463 146338304 /nfs/dbraw/zinc/33/83/04/146338304.db2.gz MZTHAAWQANKIQS-GJZGRUSLSA-N 1 0 349.431 2.857 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353047838 146384917 /nfs/dbraw/zinc/38/49/17/146384917.db2.gz FPYSRCUHLBBKJG-AEFFLSMTSA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353047841 146384945 /nfs/dbraw/zinc/38/49/45/146384945.db2.gz FPYSRCUHLBBKJG-FUHWJXTLSA-N 1 0 328.368 2.782 20 5 EFBDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353483143 146492364 /nfs/dbraw/zinc/49/23/64/146492364.db2.gz NPEXBAGMBZRJGD-ARFHVFGLSA-N 1 0 337.468 2.985 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2nccs2)n1 ZINC000353630654 146527218 /nfs/dbraw/zinc/52/72/18/146527218.db2.gz NAULLDVXHDZDAZ-OLZOCXBDSA-N 1 0 335.433 2.954 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355516591 146983705 /nfs/dbraw/zinc/98/37/05/146983705.db2.gz XEKZVDQHAMOVLD-YOEHRIQHSA-N 1 0 346.431 2.671 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000355577887 147001252 /nfs/dbraw/zinc/00/12/52/147001252.db2.gz CDGVAXINJPAEPM-UHFFFAOYSA-N 1 0 336.388 2.767 20 5 EFBDRO CCn1ncnc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000355578751 147002439 /nfs/dbraw/zinc/00/24/39/147002439.db2.gz FVQWBMFSDUJFPI-ZFWWWQNUSA-N 1 0 329.404 2.707 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355608530 147010750 /nfs/dbraw/zinc/01/07/50/147010750.db2.gz PFVHQMFMAGKYIM-OLZOCXBDSA-N 1 0 336.388 2.672 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)CC2CCCC2)cc1[N+](=O)[O-] ZINC000355749394 147053067 /nfs/dbraw/zinc/05/30/67/147053067.db2.gz RZNDNYPGSSULLU-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000355765201 147056563 /nfs/dbraw/zinc/05/65/63/147056563.db2.gz YLFDMSLISORSLT-SFHVURJKSA-N 1 0 349.431 2.715 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356285922 147200890 /nfs/dbraw/zinc/20/08/90/147200890.db2.gz VOBXRFQUMBEPOR-DZGCQCFKSA-N 1 0 346.431 2.725 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000356391786 147232658 /nfs/dbraw/zinc/23/26/58/147232658.db2.gz KLRWFJOESKIGFA-LSDHHAIUSA-N 1 0 348.447 2.660 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000356396943 147234317 /nfs/dbraw/zinc/23/43/17/147234317.db2.gz VJVMIQXGPKLAGC-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000356647451 147299210 /nfs/dbraw/zinc/29/92/10/147299210.db2.gz FXAPOUWBLYUUDC-HNNXBMFYSA-N 1 0 331.420 2.693 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)n[nH]1 ZINC000356840432 147350698 /nfs/dbraw/zinc/35/06/98/147350698.db2.gz JCWIBIYTXSKOMD-GFCCVEGCSA-N 1 0 335.433 2.724 20 5 EFBDRO Cn1c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000356844386 147352908 /nfs/dbraw/zinc/35/29/08/147352908.db2.gz WLZYMGVVVOSMHV-UHFFFAOYSA-N 1 0 336.436 2.708 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356877934 147360763 /nfs/dbraw/zinc/36/07/63/147360763.db2.gz MOLSWVAXQITCRA-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO COc1c(C(=O)Nc2ccccc2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356960136 147385272 /nfs/dbraw/zinc/38/52/72/147385272.db2.gz RAZKAMMLICWGMA-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO CCc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000357866001 147645609 /nfs/dbraw/zinc/64/56/09/147645609.db2.gz UFKKDJRPOTTZLW-UHFFFAOYSA-N 1 0 331.416 2.763 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000358322112 147771186 /nfs/dbraw/zinc/77/11/86/147771186.db2.gz QXCDHIJHXGVONN-ZDUSSCGKSA-N 1 0 344.415 2.993 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000358404005 147793708 /nfs/dbraw/zinc/79/37/08/147793708.db2.gz BRSPTTXIMGGBOS-KRWDZBQOSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1c(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000358685308 147870397 /nfs/dbraw/zinc/87/03/97/147870397.db2.gz GZJWEOLTRZPHQK-UHFFFAOYSA-N 1 0 346.431 2.577 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000359144887 148007680 /nfs/dbraw/zinc/00/76/80/148007680.db2.gz SPSPJIPJGKAMGO-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359218128 148026200 /nfs/dbraw/zinc/02/62/00/148026200.db2.gz CPTHMIABSUXYHV-OAHLLOKOSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+](C)C ZINC000359269246 148041700 /nfs/dbraw/zinc/04/17/00/148041700.db2.gz CHELXHVNTUOGNX-ZDUSSCGKSA-N 1 0 346.431 2.642 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359460439 148090252 /nfs/dbraw/zinc/09/02/52/148090252.db2.gz MXZRUPBJUPUESX-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359477500 148096766 /nfs/dbraw/zinc/09/67/66/148096766.db2.gz BGACVFUIZVXSLM-IUODEOHRSA-N 1 0 349.431 2.857 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359613601 148139455 /nfs/dbraw/zinc/13/94/55/148139455.db2.gz RNDOAAPSCSFHGF-HNNXBMFYSA-N 1 0 347.415 2.580 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000359778336 148186803 /nfs/dbraw/zinc/18/68/03/148186803.db2.gz NSZHWUBBJIXMJA-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000359836842 148203296 /nfs/dbraw/zinc/20/32/96/148203296.db2.gz HODWQYMTPKWNAM-ZDUSSCGKSA-N 1 0 325.384 2.811 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000359836841 148203433 /nfs/dbraw/zinc/20/34/33/148203433.db2.gz HODWQYMTPKWNAM-CYBMUJFWSA-N 1 0 325.384 2.811 20 5 EFBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359838851 148203866 /nfs/dbraw/zinc/20/38/66/148203866.db2.gz KTQNZNFLCLJKEV-UHFFFAOYSA-N 1 0 346.353 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)C3CCOCC3)o2)c1 ZINC000359949450 148232265 /nfs/dbraw/zinc/23/22/65/148232265.db2.gz LZKXHWDNJRNDAU-QGZVFWFLSA-N 1 0 346.383 2.732 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000360200387 148297014 /nfs/dbraw/zinc/29/70/14/148297014.db2.gz RDEDECWGPAVTMM-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3ccncc3)C2)nc1 ZINC000360490353 148374003 /nfs/dbraw/zinc/37/40/03/148374003.db2.gz JYBBUZFUFNEMPH-OAHLLOKOSA-N 1 0 327.388 2.504 20 5 EFBDRO Cc1c(CNC(=O)c2sccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360528820 148384565 /nfs/dbraw/zinc/38/45/65/148384565.db2.gz NLXWRHLRFFRDBU-UHFFFAOYSA-N 1 0 333.413 2.956 20 5 EFBDRO CNc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000361199972 148568708 /nfs/dbraw/zinc/56/87/08/148568708.db2.gz KASYMJPJKPMVDX-CQSZACIVSA-N 1 0 346.431 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362912007 148905768 /nfs/dbraw/zinc/90/57/68/148905768.db2.gz DRLJSZWBJYUPIB-UHFFFAOYSA-N 1 0 338.429 2.681 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000363770561 149010012 /nfs/dbraw/zinc/01/00/12/149010012.db2.gz BGAYUWMCVPJPEM-GFCCVEGCSA-N 1 0 335.429 2.627 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000364064292 149060139 /nfs/dbraw/zinc/06/01/39/149060139.db2.gz QAMJCDCRUPUTRS-ZDUSSCGKSA-N 1 0 343.387 2.967 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364269748 149111172 /nfs/dbraw/zinc/11/11/72/149111172.db2.gz HDDWOTMYQAEJKR-ZDUSSCGKSA-N 1 0 346.387 2.893 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCOCC3(CCCC3)C2)c2c(c1)COCO2 ZINC000364326634 149126592 /nfs/dbraw/zinc/12/65/92/149126592.db2.gz VGCXYKZJIKQMCF-UHFFFAOYSA-N 1 0 348.399 2.854 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364643334 149205785 /nfs/dbraw/zinc/20/57/85/149205785.db2.gz UXDAHRDSEYNVHE-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000365127263 149323595 /nfs/dbraw/zinc/32/35/95/149323595.db2.gz VOGAVUUGPGRFBH-UHFFFAOYSA-N 1 0 346.362 2.840 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCc1cn2c(n1)CCCC2 ZINC000365284210 149361585 /nfs/dbraw/zinc/36/15/85/149361585.db2.gz YIYVZXSUQAJPOG-UHFFFAOYSA-N 1 0 337.383 2.752 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000367615394 149915557 /nfs/dbraw/zinc/91/55/57/149915557.db2.gz KLSFUMJEGXKPOC-IXDOHACOSA-N 1 0 344.415 2.732 20 5 EFBDRO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000368316709 150093182 /nfs/dbraw/zinc/09/31/82/150093182.db2.gz SCMCHAQERGTBSM-CYBMUJFWSA-N 1 0 349.406 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368828881 150216266 /nfs/dbraw/zinc/21/62/66/150216266.db2.gz GXHHXOMNFUHGRG-QWHCGFSZSA-N 1 0 341.358 2.913 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452038838 286206048 /nfs/dbraw/zinc/20/60/48/286206048.db2.gz YTTOYTGKFXFFLG-JGGQBBKZSA-N 1 0 335.404 2.859 20 5 EFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688417 151046645 /nfs/dbraw/zinc/04/66/45/151046645.db2.gz DYOIZFORFXQCIE-CYBMUJFWSA-N 1 0 338.839 2.829 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000372785903 151062502 /nfs/dbraw/zinc/06/25/02/151062502.db2.gz VYAQLYNHSYYISK-ZFWWWQNUSA-N 1 0 329.404 2.566 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372965310 151088623 /nfs/dbraw/zinc/08/86/23/151088623.db2.gz LYEVCBCXEGMWTO-MFKMUULPSA-N 1 0 331.397 2.634 20 5 EFBDRO NC(=O)c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000374041788 151273336 /nfs/dbraw/zinc/27/33/36/151273336.db2.gz JKRVFZIBMVAHSN-UHFFFAOYSA-N 1 0 346.431 2.903 20 5 EFBDRO Cc1cccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000374059711 151277143 /nfs/dbraw/zinc/27/71/43/151277143.db2.gz TVENIKAQUROXKS-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000374101005 151284336 /nfs/dbraw/zinc/28/43/36/151284336.db2.gz WOSXJGNHPSYDMY-VMPITWQZSA-N 1 0 343.427 2.942 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1[N+](=O)[O-] ZINC000374146009 151290956 /nfs/dbraw/zinc/29/09/56/151290956.db2.gz VKDFGGGEYBIVQE-CQSZACIVSA-N 1 0 330.388 2.776 20 5 EFBDRO Cc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305931 151318877 /nfs/dbraw/zinc/31/88/77/151318877.db2.gz BCQFQCZIDYWSLB-IAGOWNOFSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000374334708 151326150 /nfs/dbraw/zinc/32/61/50/151326150.db2.gz WHQSZUOPRBAQNW-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO Cn1ccnc1[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374364501 151331877 /nfs/dbraw/zinc/33/18/77/151331877.db2.gz TZXGMJYUNJMCOP-GFCCVEGCSA-N 1 0 348.790 2.540 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000374620101 151382935 /nfs/dbraw/zinc/38/29/35/151382935.db2.gz LNVLXJCROGSUHJ-WBVHZDCISA-N 1 0 328.368 2.612 20 5 EFBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703877 151399500 /nfs/dbraw/zinc/39/95/00/151399500.db2.gz WJRGFPQOTSDWLQ-KBPBESRZSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375696716 151578554 /nfs/dbraw/zinc/57/85/54/151578554.db2.gz IKGHJSOYZNBFPU-UHFFFAOYSA-N 1 0 347.415 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000375725040 151584108 /nfs/dbraw/zinc/58/41/08/151584108.db2.gz NZXZBTXULBAORQ-HNNXBMFYSA-N 1 0 334.376 2.563 20 5 EFBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000377764057 151942005 /nfs/dbraw/zinc/94/20/05/151942005.db2.gz BDQGEOCGEYFTOB-DLBZAZTESA-N 1 0 343.427 2.722 20 5 EFBDRO O=C(CC[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378643694 152135241 /nfs/dbraw/zinc/13/52/41/152135241.db2.gz BBVHLCLZPRVPGG-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000408072379 152149366 /nfs/dbraw/zinc/14/93/66/152149366.db2.gz RWVZGNJQJNIBEW-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000408332998 152177516 /nfs/dbraw/zinc/17/75/16/152177516.db2.gz YOENDXDJUYRLDE-YDHLFZDLSA-N 1 0 335.452 2.961 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408332995 152177599 /nfs/dbraw/zinc/17/75/99/152177599.db2.gz YOENDXDJUYRLDE-GUTXKFCHSA-N 1 0 335.452 2.961 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000408438623 152191813 /nfs/dbraw/zinc/19/18/13/152191813.db2.gz JNQUAFJHYAPHJC-MGPQQGTHSA-N 1 0 331.416 2.741 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173314055 287041593 /nfs/dbraw/zinc/04/15/93/287041593.db2.gz UQKAJEPAQQRHBW-CQSZACIVSA-N 1 0 342.399 2.677 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000159086934 225143913 /nfs/dbraw/zinc/14/39/13/225143913.db2.gz DIRJQGYFQVJTHT-INIZCTEOSA-N 1 0 341.367 2.854 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000159462186 225222641 /nfs/dbraw/zinc/22/26/41/225222641.db2.gz GJGFTIJHIBIJDU-AWEZNQCLSA-N 1 0 336.436 2.946 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3CO)o2)c1 ZINC000159989096 225314927 /nfs/dbraw/zinc/31/49/27/225314927.db2.gz GCEFWIBIGSBADO-OAHLLOKOSA-N 1 0 331.372 2.639 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121410185 221836742 /nfs/dbraw/zinc/83/67/42/221836742.db2.gz LVSHEFPCPDZRJO-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000122835864 222169072 /nfs/dbraw/zinc/16/90/72/222169072.db2.gz ONCALNLYTPYBLO-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123261501 222245216 /nfs/dbraw/zinc/24/52/16/222245216.db2.gz ADFKURNZSKEWTC-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000052522298 292639677 /nfs/dbraw/zinc/63/96/77/292639677.db2.gz CLDJVWWQLJEHJT-RDTXWAMCSA-N 1 0 348.447 2.905 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170020454 544855756 /nfs/dbraw/zinc/85/57/56/544855756.db2.gz KKGFELSARQRILM-QWHCGFSZSA-N 1 0 332.404 2.764 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279781630 273252842 /nfs/dbraw/zinc/25/28/42/273252842.db2.gz LIMAVSAJMVEFKR-GFCCVEGCSA-N 1 0 325.796 2.596 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)c1ccco1 ZINC000185082058 265033240 /nfs/dbraw/zinc/03/32/40/265033240.db2.gz SJPWEJYWCXAAPD-OAHLLOKOSA-N 1 0 347.371 2.538 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186022959 265055248 /nfs/dbraw/zinc/05/52/48/265055248.db2.gz HZHZDAXAWJCMEN-UHFFFAOYSA-N 1 0 339.823 2.985 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186398090 265065805 /nfs/dbraw/zinc/06/58/05/265065805.db2.gz HZZASJUPANONCL-ZDUSSCGKSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000186418788 265065865 /nfs/dbraw/zinc/06/58/65/265065865.db2.gz QROAMCQDLPIQJR-NSHDSACASA-N 1 0 339.367 2.690 20 5 EFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186422002 265067482 /nfs/dbraw/zinc/06/74/82/265067482.db2.gz XNNCGYGFLGYJRS-ZDUSSCGKSA-N 1 0 335.404 2.941 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187354778 265095879 /nfs/dbraw/zinc/09/58/79/265095879.db2.gz ZBIBTRZCFZNTMH-UHFFFAOYSA-N 1 0 349.431 2.941 20 5 EFBDRO CC(C)c1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000187510103 265106904 /nfs/dbraw/zinc/10/69/04/265106904.db2.gz YHIKBNVVICUUPT-UHFFFAOYSA-N 1 0 345.403 2.729 20 5 EFBDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000188682971 265146847 /nfs/dbraw/zinc/14/68/47/265146847.db2.gz VZGMCWSGMCVPCQ-AWEZNQCLSA-N 1 0 339.395 2.944 20 5 EFBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1OC ZINC000194905797 265396685 /nfs/dbraw/zinc/39/66/85/265396685.db2.gz JQGDZDOHEKTOAB-CQSZACIVSA-N 1 0 346.387 2.722 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000271476114 265988882 /nfs/dbraw/zinc/98/88/82/265988882.db2.gz IBRZFNMWMJTFLD-FDQGKXFDSA-N 1 0 330.384 2.730 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000271535665 266003115 /nfs/dbraw/zinc/00/31/15/266003115.db2.gz OURYBBPPYSTCIT-DZGCQCFKSA-N 1 0 338.404 2.905 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271559434 266007029 /nfs/dbraw/zinc/00/70/29/266007029.db2.gz XHVPADQUTLYDKS-CFVMTHIKSA-N 1 0 340.445 2.910 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000271614706 266022095 /nfs/dbraw/zinc/02/20/95/266022095.db2.gz CBBJXGYOWDJNMZ-ZDUSSCGKSA-N 1 0 343.383 2.917 20 5 EFBDRO C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C[NH+](C)C ZINC000087141713 272994029 /nfs/dbraw/zinc/99/40/29/272994029.db2.gz WBWRYPYEZLNBTL-CYBMUJFWSA-N 1 0 348.447 2.639 20 5 EFBDRO COc1cccc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271665995 266036806 /nfs/dbraw/zinc/03/68/06/266036806.db2.gz BPWZYHKNWPIKSZ-QGZVFWFLSA-N 1 0 328.368 2.916 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731232 266052572 /nfs/dbraw/zinc/05/25/72/266052572.db2.gz NFVFRNKKQRQIKB-OFQRWUPVSA-N 1 0 346.431 2.782 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271912268 266094426 /nfs/dbraw/zinc/09/44/26/266094426.db2.gz YDGFSCIATQDLBX-DYVFJYSZSA-N 1 0 349.431 2.699 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271912270 266094450 /nfs/dbraw/zinc/09/44/50/266094450.db2.gz YDGFSCIATQDLBX-GUYCJALGSA-N 1 0 349.431 2.699 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271992871 266117816 /nfs/dbraw/zinc/11/78/16/266117816.db2.gz GNNJFJLWTQUODC-GUYCJALGSA-N 1 0 336.388 2.815 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000272259800 266207435 /nfs/dbraw/zinc/20/74/35/266207435.db2.gz ZUYLTJIGWKKGEQ-ZWNOBZJWSA-N 1 0 327.331 2.727 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272305351 266223509 /nfs/dbraw/zinc/22/35/09/266223509.db2.gz QNPJSOCNJABARY-HZMBPMFUSA-N 1 0 338.795 2.806 20 5 EFBDRO COc1cc(C[NH2+]CC[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272371140 266243959 /nfs/dbraw/zinc/24/39/59/266243959.db2.gz GOAQDTPZMSOGTR-JTQLQIEISA-N 1 0 348.346 2.762 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272370884 266244812 /nfs/dbraw/zinc/24/48/12/266244812.db2.gz GQYPJPQBYQHFRY-HZMBPMFUSA-N 1 0 338.795 2.806 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272413091 266257547 /nfs/dbraw/zinc/25/75/47/266257547.db2.gz LDVACMUYANMAAF-DZGCQCFKSA-N 1 0 332.404 2.770 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272466224 266274768 /nfs/dbraw/zinc/27/47/68/266274768.db2.gz DWJMDRUPDGJVGV-UHFFFAOYSA-N 1 0 341.358 2.535 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507663 266288309 /nfs/dbraw/zinc/28/83/09/266288309.db2.gz IHUCSHRSTIEBQL-JKIFEVAISA-N 1 0 344.415 2.822 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCC[C@@H]1O ZINC000272508130 266288681 /nfs/dbraw/zinc/28/86/81/266288681.db2.gz JSYVAXXLBAPHJB-HIFRSBDPSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570660 266311387 /nfs/dbraw/zinc/31/13/87/266311387.db2.gz VRYJFKLMCOLYFI-WCQYABFASA-N 1 0 333.413 2.921 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000272581664 266314187 /nfs/dbraw/zinc/31/41/87/266314187.db2.gz YCPKRPVHPXHCQV-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272595881 266319112 /nfs/dbraw/zinc/31/91/12/266319112.db2.gz UMHBKFLPQSCGJX-ZQIUZPCESA-N 1 0 349.431 2.713 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000272843811 266395599 /nfs/dbraw/zinc/39/55/99/266395599.db2.gz OZNAKQUNBOYECB-CYBMUJFWSA-N 1 0 348.403 2.553 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102926976 273000403 /nfs/dbraw/zinc/00/04/03/273000403.db2.gz ILFDIHGZIYGOLE-HNNXBMFYSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102926971 273000454 /nfs/dbraw/zinc/00/04/54/273000454.db2.gz ILFDIHGZIYGOLE-OAHLLOKOSA-N 1 0 333.388 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273005053 266435727 /nfs/dbraw/zinc/43/57/27/266435727.db2.gz ASQMDDIRNTVUTR-ZWKOTPCHSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@@H](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000273335269 266484244 /nfs/dbraw/zinc/48/42/44/266484244.db2.gz ZHSHQDUCFQDNJT-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H](CCC1CC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274418309 266646222 /nfs/dbraw/zinc/64/62/22/266646222.db2.gz HTWGAEPEFRMTGW-LBPRGKRZSA-N 1 0 326.418 2.537 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000275865847 266888173 /nfs/dbraw/zinc/88/81/73/266888173.db2.gz PHWNOLZAZOSEAF-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108329807 273009128 /nfs/dbraw/zinc/00/91/28/273009128.db2.gz XXFDMQBVUKWRDC-STQMWFEESA-N 1 0 337.445 2.533 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncnn1C ZINC000276642132 267028238 /nfs/dbraw/zinc/02/82/38/267028238.db2.gz OZOPKKZYBBAWKU-VXGBXAGGSA-N 1 0 335.433 2.945 20 5 EFBDRO Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276715727 267040284 /nfs/dbraw/zinc/04/02/84/267040284.db2.gz JVUJXRULFLUKCE-CQSZACIVSA-N 1 0 340.383 2.653 20 5 EFBDRO Cc1c(CC(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000276769357 267047077 /nfs/dbraw/zinc/04/70/77/267047077.db2.gz SKZKXZNTZXOPKK-UHFFFAOYSA-N 1 0 333.432 2.684 20 5 EFBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276872551 267065442 /nfs/dbraw/zinc/06/54/42/267065442.db2.gz HSEGUKPVSQQHKW-HNNXBMFYSA-N 1 0 338.404 2.621 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277053381 267106640 /nfs/dbraw/zinc/10/66/40/267106640.db2.gz ICXRRUKLCUUNPO-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277111528 267115930 /nfs/dbraw/zinc/11/59/30/267115930.db2.gz QQIQZIXHGPPQNO-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277228565 267133307 /nfs/dbraw/zinc/13/33/07/267133307.db2.gz YMDKOWXKDZEIQN-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCNc1ccc(C)cn1 ZINC000277245702 267137389 /nfs/dbraw/zinc/13/73/89/267137389.db2.gz YXUPUOWKIIEZEI-UHFFFAOYSA-N 1 0 344.371 2.539 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000277363191 267164828 /nfs/dbraw/zinc/16/48/28/267164828.db2.gz CNUSYLSDNVVNIZ-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000277434464 267180153 /nfs/dbraw/zinc/18/01/53/267180153.db2.gz DYGZTMZSEXJEHL-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000277549985 267196066 /nfs/dbraw/zinc/19/60/66/267196066.db2.gz ITFTXVAURJIPCY-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277637672 267218719 /nfs/dbraw/zinc/21/87/19/267218719.db2.gz XSHKPHGYTVKYGT-HNNXBMFYSA-N 1 0 349.456 2.820 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000278011554 267320850 /nfs/dbraw/zinc/32/08/50/267320850.db2.gz PFQJDGOYNFFRHL-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO CN(CC[NH+](C)C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278162938 267356929 /nfs/dbraw/zinc/35/69/29/267356929.db2.gz AOOMQSCTZRSSDS-UHFFFAOYSA-N 1 0 342.268 2.642 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC[C@H]21 ZINC000278508801 267464786 /nfs/dbraw/zinc/46/47/86/267464786.db2.gz XZIPJEWHEAPHRT-GHMZBOCLSA-N 1 0 344.337 2.929 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278537011 267474491 /nfs/dbraw/zinc/47/44/91/267474491.db2.gz URNMZADBGOOWSY-HIFRSBDPSA-N 1 0 329.404 2.648 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000176091831 273031334 /nfs/dbraw/zinc/03/13/34/273031334.db2.gz JDZLYDYYVHPDFC-LLVKDONJSA-N 1 0 338.408 2.701 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000177609046 273038092 /nfs/dbraw/zinc/03/80/92/273038092.db2.gz KSLIJWMQHNCJTL-STQMWFEESA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ccc(C[NH2+]CCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000189043205 273058935 /nfs/dbraw/zinc/05/89/35/273058935.db2.gz WEDLUVKAXHCSIS-UHFFFAOYSA-N 1 0 339.395 2.691 20 5 EFBDRO CC1(C)CC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000266557676 273079137 /nfs/dbraw/zinc/07/91/37/273079137.db2.gz UYJBZAKCJGQFEO-UHFFFAOYSA-N 1 0 348.447 2.746 20 5 EFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000269666442 273087793 /nfs/dbraw/zinc/08/77/93/273087793.db2.gz SIMSJDPOELJBIC-OALUTQOASA-N 1 0 342.395 2.874 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000269667564 273087950 /nfs/dbraw/zinc/08/79/50/273087950.db2.gz SXIDUBGACDNHHX-GOSISDBHSA-N 1 0 333.432 2.579 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269740924 273089986 /nfs/dbraw/zinc/08/99/86/273089986.db2.gz YZDXSIIMCGGJBN-WMLDXEAASA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000269813942 273092439 /nfs/dbraw/zinc/09/24/39/273092439.db2.gz GKEKZKJSGGSABJ-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000271116603 273098889 /nfs/dbraw/zinc/09/88/89/273098889.db2.gz INWNOZIUFGRVEJ-STQMWFEESA-N 1 0 337.445 2.724 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000271203735 273102396 /nfs/dbraw/zinc/10/23/96/273102396.db2.gz RHYMPAKTCLPBBX-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273967950 273121332 /nfs/dbraw/zinc/12/13/32/273121332.db2.gz QNEYTMCLISQRTO-UHFFFAOYSA-N 1 0 349.406 2.755 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000274268712 273128677 /nfs/dbraw/zinc/12/86/77/273128677.db2.gz MEGDPUDSHFDLIF-XJKSGUPXSA-N 1 0 332.404 2.770 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000274304996 273131288 /nfs/dbraw/zinc/13/12/88/273131288.db2.gz OTPKGHPEFNRMKB-RDBSUJKOSA-N 1 0 340.445 2.783 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000275585796 273137665 /nfs/dbraw/zinc/13/76/65/273137665.db2.gz FJPFQRWNFKUQDO-UHFFFAOYSA-N 1 0 341.358 2.629 20 5 EFBDRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000276732121 273141578 /nfs/dbraw/zinc/14/15/78/273141578.db2.gz QTOQUPQDVJBUCT-UHFFFAOYSA-N 1 0 325.368 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)C1CC1 ZINC000279002895 273165197 /nfs/dbraw/zinc/16/51/97/273165197.db2.gz RQNUHKKZZYSCAB-YOEHRIQHSA-N 1 0 340.427 2.965 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCCN2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279020614 273167358 /nfs/dbraw/zinc/16/73/58/273167358.db2.gz HOKBPZWTZYCHRO-KRWDZBQOSA-N 1 0 333.432 2.629 20 5 EFBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279044382 273169889 /nfs/dbraw/zinc/16/98/89/273169889.db2.gz JPDFBJCVTBLJPF-BLLLJJGKSA-N 1 0 341.415 2.822 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C2CC2)CC1 ZINC000279096360 273176207 /nfs/dbraw/zinc/17/62/07/273176207.db2.gz WUMBNVUOBRLFCN-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279126095 273179538 /nfs/dbraw/zinc/17/95/38/273179538.db2.gz QPXKKKWPHSZZFB-BZNIZROVSA-N 1 0 329.400 2.670 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000279201056 273187700 /nfs/dbraw/zinc/18/77/00/273187700.db2.gz XJLPMTMAPMUUET-HNNXBMFYSA-N 1 0 343.383 2.930 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000279201058 273187742 /nfs/dbraw/zinc/18/77/42/273187742.db2.gz XJLPMTMAPMUUET-OAHLLOKOSA-N 1 0 343.383 2.930 20 5 EFBDRO CC[NH+](CC)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279361783 273206775 /nfs/dbraw/zinc/20/67/75/273206775.db2.gz VMBPPTCOZWAYNI-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](C)CC1 ZINC000279501497 273222128 /nfs/dbraw/zinc/22/21/28/273222128.db2.gz NWDKMPGDJPDKRY-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO CN(C(=O)C[N@@H+]1CCSC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000279647253 273237774 /nfs/dbraw/zinc/23/77/74/273237774.db2.gz AXHSUVSZGZPWCB-UHFFFAOYSA-N 1 0 337.445 2.775 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279663441 273239409 /nfs/dbraw/zinc/23/94/09/273239409.db2.gz CVNWUGXEEBGAPP-GJZGRUSLSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978913 273277077 /nfs/dbraw/zinc/27/70/77/273277077.db2.gz ZIYFZLGOSZRVDQ-DOMZBBRYSA-N 1 0 346.387 2.770 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000279999166 273279438 /nfs/dbraw/zinc/27/94/38/273279438.db2.gz RSLVVGGAEAZTHB-UBHSHLNASA-N 1 0 336.388 2.671 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280117731 273292688 /nfs/dbraw/zinc/29/26/88/273292688.db2.gz PXEBUOVLSJWTFH-SJCJKPOMSA-N 1 0 346.387 2.943 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280117727 273292746 /nfs/dbraw/zinc/29/27/46/273292746.db2.gz PXEBUOVLSJWTFH-PXAZEXFGSA-N 1 0 346.387 2.943 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280119838 273292930 /nfs/dbraw/zinc/29/29/30/273292930.db2.gz PXEBUOVLSJWTFH-SJKOYZFVSA-N 1 0 346.387 2.943 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280295401 273312569 /nfs/dbraw/zinc/31/25/69/273312569.db2.gz UZJSZRDWMRZDOO-MRXNPFEDSA-N 1 0 349.431 2.685 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280451515 273329515 /nfs/dbraw/zinc/32/95/15/273329515.db2.gz DTUIVKICZTWRNH-UHFFFAOYSA-N 1 0 337.420 2.520 20 5 EFBDRO Cc1cc(NCC2(S(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280480490 273332558 /nfs/dbraw/zinc/33/25/58/273332558.db2.gz NQMARYYZXLWWDQ-UHFFFAOYSA-N 1 0 349.412 2.831 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280528231 273337206 /nfs/dbraw/zinc/33/72/06/273337206.db2.gz KZOHFOXTTVCNJA-OAHLLOKOSA-N 1 0 349.431 2.519 20 5 EFBDRO CCS(=O)(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)s1 ZINC000280730082 273360494 /nfs/dbraw/zinc/36/04/94/273360494.db2.gz YTQIQONXPFUXKQ-UHFFFAOYSA-N 1 0 340.426 2.740 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000280764957 273364461 /nfs/dbraw/zinc/36/44/61/273364461.db2.gz BHSQRGNCQIBKAT-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280766806 273364623 /nfs/dbraw/zinc/36/46/23/273364623.db2.gz BKJBCTGSBXXESF-CYBMUJFWSA-N 1 0 342.399 2.727 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000280959470 273385612 /nfs/dbraw/zinc/38/56/12/273385612.db2.gz NCKZDPJZLYBVOR-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000281025701 273392979 /nfs/dbraw/zinc/39/29/79/273392979.db2.gz HHAIAPVPOSUVNV-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000281071467 273397781 /nfs/dbraw/zinc/39/77/81/273397781.db2.gz ZXBWQPDSHUGFTM-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COC(=O)CC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000281535208 273444366 /nfs/dbraw/zinc/44/43/66/273444366.db2.gz WMNLDZJWGVAAFT-UHFFFAOYSA-N 1 0 348.399 2.781 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000281835097 273474651 /nfs/dbraw/zinc/47/46/51/273474651.db2.gz WQMRMNOHMKKUPS-UHFFFAOYSA-N 1 0 333.432 2.817 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CCC[NH+](C)C ZINC000281983115 273497501 /nfs/dbraw/zinc/49/75/01/273497501.db2.gz OXVWBSJQNKVJMY-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000344364979 273516523 /nfs/dbraw/zinc/51/65/23/273516523.db2.gz XIZPBFKMTYOYGQ-ZDUSSCGKSA-N 1 0 332.404 2.782 20 5 EFBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000282301847 273543072 /nfs/dbraw/zinc/54/30/72/273543072.db2.gz RWEKYOIEQDALFW-GFCCVEGCSA-N 1 0 336.413 2.810 20 5 EFBDRO CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000351652211 273553218 /nfs/dbraw/zinc/55/32/18/273553218.db2.gz QULVWYWGXCZTBY-HNNXBMFYSA-N 1 0 338.383 2.976 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000282661694 273596474 /nfs/dbraw/zinc/59/64/74/273596474.db2.gz GKZRVBYYSLGGRL-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO COCCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000282956926 273645275 /nfs/dbraw/zinc/64/52/75/273645275.db2.gz ZLXICJGLCKXKTA-KRWDZBQOSA-N 1 0 330.388 2.605 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000282971589 273647877 /nfs/dbraw/zinc/64/78/77/273647877.db2.gz AWYMQWFQRYBFDK-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000283348889 273704331 /nfs/dbraw/zinc/70/43/31/273704331.db2.gz CHOBTKYOCOISHA-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000283803436 273761704 /nfs/dbraw/zinc/76/17/04/273761704.db2.gz XEEKJWSICXSZDB-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560985 273781169 /nfs/dbraw/zinc/78/11/69/273781169.db2.gz AGIWKFHTOYPNGV-OLZOCXBDSA-N 1 0 345.403 2.879 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284035942 273789059 /nfs/dbraw/zinc/78/90/59/273789059.db2.gz JNDCIFIBFRPXJG-NSHDSACASA-N 1 0 330.344 2.979 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000284219276 273811607 /nfs/dbraw/zinc/81/16/07/273811607.db2.gz ZSOMPKHOGXPOLK-UHFFFAOYSA-N 1 0 338.795 2.997 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000285097221 273941428 /nfs/dbraw/zinc/94/14/28/273941428.db2.gz LPORTGAWJANOLL-SNVBAGLBSA-N 1 0 339.193 2.905 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000285175758 273955578 /nfs/dbraw/zinc/95/55/78/273955578.db2.gz VELRRAVSHXZSTF-WMLDXEAASA-N 1 0 329.356 2.618 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415432532 273964494 /nfs/dbraw/zinc/96/44/94/273964494.db2.gz FXBHBMSAEUUEQS-JTQLQIEISA-N 1 0 346.309 2.829 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285405022 273993558 /nfs/dbraw/zinc/99/35/58/273993558.db2.gz XLMMBBBJIHHDAX-CYBMUJFWSA-N 1 0 342.399 2.566 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285440263 274000228 /nfs/dbraw/zinc/00/02/28/274000228.db2.gz XNACODUAHQNXLL-INIZCTEOSA-N 1 0 344.367 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285446308 274001007 /nfs/dbraw/zinc/00/10/07/274001007.db2.gz GBMDJXLKFULKJK-AWEZNQCLSA-N 1 0 348.321 2.753 20 5 EFBDRO C[C@@H](C(=O)NCc1ccccc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285458420 274003251 /nfs/dbraw/zinc/00/32/51/274003251.db2.gz ZAZGNZDDOUNCJS-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO COc1ccc(OCCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000285487075 274009386 /nfs/dbraw/zinc/00/93/86/274009386.db2.gz LWHXHZFMYZZCNG-YIONKMFJSA-N 1 0 349.431 2.539 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000285510225 274014821 /nfs/dbraw/zinc/01/48/21/274014821.db2.gz JSHCKTSNGWXMFW-KRWDZBQOSA-N 1 0 328.368 2.831 20 5 EFBDRO COCC[N@H+](C)CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338661905 274023842 /nfs/dbraw/zinc/02/38/42/274023842.db2.gz BICZOYFSEGYZFV-UHFFFAOYSA-N 1 0 335.326 2.912 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179141285 274040432 /nfs/dbraw/zinc/04/04/32/274040432.db2.gz ITQBBZNBRXWVNV-HFTRVMKXSA-N 1 0 336.432 2.683 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285630477 274041632 /nfs/dbraw/zinc/04/16/32/274041632.db2.gz YQXSVXLKEORFMY-HTFDGFGYSA-N 1 0 331.416 2.891 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000285671022 274049757 /nfs/dbraw/zinc/04/97/57/274049757.db2.gz UGROHSXHFNHFMI-JSGCOSHPSA-N 1 0 337.395 2.801 20 5 EFBDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000285756366 274067880 /nfs/dbraw/zinc/06/78/80/274067880.db2.gz SJFXUMKPEOQMTJ-OAHLLOKOSA-N 1 0 340.445 2.993 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285766253 274070629 /nfs/dbraw/zinc/07/06/29/274070629.db2.gz KKFDIOKVUIWFSC-UHFFFAOYSA-N 1 0 331.372 2.782 20 5 EFBDRO C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801250 274077687 /nfs/dbraw/zinc/07/76/87/274077687.db2.gz FUQNZCRCPJUHEE-WFASDCNBSA-N 1 0 339.823 2.543 20 5 EFBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000364065570 274093742 /nfs/dbraw/zinc/09/37/42/274093742.db2.gz VLLJLDFWPXHJBJ-AWEZNQCLSA-N 1 0 337.395 2.803 20 5 EFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000285890779 274095091 /nfs/dbraw/zinc/09/50/91/274095091.db2.gz CLCKVVBFNLCFFQ-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285985164 274112320 /nfs/dbraw/zinc/11/23/20/274112320.db2.gz XKQAOISHKHXRNW-ZFWWWQNUSA-N 1 0 349.456 2.772 20 5 EFBDRO CC(=O)c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000286021301 274118860 /nfs/dbraw/zinc/11/88/60/274118860.db2.gz ANVQQNAYIHHVSK-AWEZNQCLSA-N 1 0 347.415 2.710 20 5 EFBDRO C[C@H]1CCSCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286034282 274120650 /nfs/dbraw/zinc/12/06/50/274120650.db2.gz IAMZOJYPCGHJAR-NSHDSACASA-N 1 0 341.408 2.890 20 5 EFBDRO CCOC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000286157591 274144500 /nfs/dbraw/zinc/14/45/00/274144500.db2.gz NXXAERCJEYMGHD-AWEZNQCLSA-N 1 0 334.376 2.796 20 5 EFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286190526 274150640 /nfs/dbraw/zinc/15/06/40/274150640.db2.gz PQCVAUCXEJOZAC-CABCVRRESA-N 1 0 337.445 2.821 20 5 EFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000286255532 274163349 /nfs/dbraw/zinc/16/33/49/274163349.db2.gz SLEJBZZVAYDHJY-MRXNPFEDSA-N 1 0 337.420 2.883 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286261142 274164392 /nfs/dbraw/zinc/16/43/92/274164392.db2.gz AXGLSRZATHUKFY-ZLKJLUDKSA-N 1 0 332.360 2.551 20 5 EFBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286266576 274165519 /nfs/dbraw/zinc/16/55/19/274165519.db2.gz FXMTURWMVRFRGX-ZACCUICWSA-N 1 0 333.417 2.661 20 5 EFBDRO CS[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000340733973 274182421 /nfs/dbraw/zinc/18/24/21/274182421.db2.gz BUGCZPRRWBVHBC-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286403368 274193993 /nfs/dbraw/zinc/19/39/93/274193993.db2.gz ZTKKNCDJNGTDII-JQWIXIFHSA-N 1 0 333.417 2.520 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286403364 274194030 /nfs/dbraw/zinc/19/40/30/274194030.db2.gz ZTKKNCDJNGTDII-CMPLNLGQSA-N 1 0 333.417 2.520 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286442133 274202376 /nfs/dbraw/zinc/20/23/76/274202376.db2.gz OFGVOXYNCYSAFX-ZYHUDNBSSA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286480228 274210281 /nfs/dbraw/zinc/21/02/81/274210281.db2.gz WOXSOLZKJARQCV-GHMZBOCLSA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286588458 274231193 /nfs/dbraw/zinc/23/11/93/274231193.db2.gz YUEJCKPMQBKUEN-DOMZBBRYSA-N 1 0 344.415 2.543 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@H]1O ZINC000286606729 274234683 /nfs/dbraw/zinc/23/46/83/274234683.db2.gz RKWUWAQBOCXWIM-HUUCEWRRSA-N 1 0 331.372 2.638 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000286681992 274250625 /nfs/dbraw/zinc/25/06/25/274250625.db2.gz MRUWCKPJXFJNAM-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000286726874 274260416 /nfs/dbraw/zinc/26/04/16/274260416.db2.gz GVPALQHQJQJWHV-UHFFFAOYSA-N 1 0 327.331 2.703 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286747106 274264712 /nfs/dbraw/zinc/26/47/12/274264712.db2.gz CZEMUGQUFWAXPL-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286765829 274268940 /nfs/dbraw/zinc/26/89/40/274268940.db2.gz ZMMKZDGVOFMKQV-GXTWGEPZSA-N 1 0 332.322 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286765832 274269033 /nfs/dbraw/zinc/26/90/33/274269033.db2.gz ZMMKZDGVOFMKQV-JSGCOSHPSA-N 1 0 332.322 2.630 20 5 EFBDRO C[NH+](C)CC1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCC1 ZINC000286778146 274271516 /nfs/dbraw/zinc/27/15/16/274271516.db2.gz ISRBQLUKVPCFNC-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000286904886 274297386 /nfs/dbraw/zinc/29/73/86/274297386.db2.gz PGSZNLGYXMXQEO-DLBZAZTESA-N 1 0 349.456 2.813 20 5 EFBDRO Cc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286930267 274303191 /nfs/dbraw/zinc/30/31/91/274303191.db2.gz LJAUAUVVCVMWEK-GXTWGEPZSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286985209 274315355 /nfs/dbraw/zinc/31/53/55/274315355.db2.gz DMUZUKAUJUQPAI-ZFWWWQNUSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286988798 274316301 /nfs/dbraw/zinc/31/63/01/274316301.db2.gz QIRJWQXZUGZLKC-MEDUHNTESA-N 1 0 325.359 2.932 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000287149218 274354386 /nfs/dbraw/zinc/35/43/86/274354386.db2.gz SQXUQCYHTNJIPH-CZUORRHYSA-N 1 0 340.445 2.850 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287173764 274360162 /nfs/dbraw/zinc/36/01/62/274360162.db2.gz OHWYGGBJJJOBEI-XHDPSFHLSA-N 1 0 337.807 2.947 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287199209 274366135 /nfs/dbraw/zinc/36/61/35/274366135.db2.gz TZUOPWGGIOQOAZ-UHFFFAOYSA-N 1 0 335.408 2.720 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287211071 274368616 /nfs/dbraw/zinc/36/86/16/274368616.db2.gz QTAQMYYJVVIMAN-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000287654643 274465574 /nfs/dbraw/zinc/46/55/74/274465574.db2.gz VEDCRPAQNQDHSF-CYBMUJFWSA-N 1 0 338.404 2.576 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287668811 274468104 /nfs/dbraw/zinc/46/81/04/274468104.db2.gz BVZFSULRHKZTBQ-UHFFFAOYSA-N 1 0 337.420 2.592 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000287826256 274491615 /nfs/dbraw/zinc/49/16/15/274491615.db2.gz VKZHIVWXNSAPMJ-GWCFXTLKSA-N 1 0 334.294 2.803 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348146035 274510911 /nfs/dbraw/zinc/51/09/11/274510911.db2.gz MOKGWKFFAUAKCJ-QWRGUYRKSA-N 1 0 341.795 2.591 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000288324651 274570697 /nfs/dbraw/zinc/57/06/97/274570697.db2.gz DKWBNDJFELBKEK-UHFFFAOYSA-N 1 0 349.410 2.827 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2cc(Br)cn2)cs1 ZINC000288434667 274592458 /nfs/dbraw/zinc/59/24/58/274592458.db2.gz LHZFMPRRPOQAMK-UHFFFAOYSA-N 1 0 345.222 2.795 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000288562691 274618627 /nfs/dbraw/zinc/61/86/27/274618627.db2.gz WKKWUMSNMFZVJY-UHFFFAOYSA-N 1 0 325.796 2.549 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288564637 274619225 /nfs/dbraw/zinc/61/92/25/274619225.db2.gz WKTIYMYXCIBRBI-RYUDHWBXSA-N 1 0 337.807 2.947 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1O ZINC000288592799 274625730 /nfs/dbraw/zinc/62/57/30/274625730.db2.gz OTRPAPZRJHODID-LBPRGKRZSA-N 1 0 330.340 2.575 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289588421 274787064 /nfs/dbraw/zinc/78/70/64/274787064.db2.gz IFORYXVDERPTIE-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000289695557 274805414 /nfs/dbraw/zinc/80/54/14/274805414.db2.gz NNKVYICOZUMZIS-QWRGUYRKSA-N 1 0 339.342 2.572 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289787117 274821870 /nfs/dbraw/zinc/82/18/70/274821870.db2.gz YKPXENLJYCBFGQ-UKRRQHHQSA-N 1 0 339.823 2.841 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418337556 274981317 /nfs/dbraw/zinc/98/13/17/274981317.db2.gz BSYHPENKIAFBSF-CQSZACIVSA-N 1 0 346.431 2.659 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C2CC2)CC1 ZINC000268458515 275032939 /nfs/dbraw/zinc/03/29/39/275032939.db2.gz CZFJFLKKTCHFOL-UHFFFAOYSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161668253 275032948 /nfs/dbraw/zinc/03/29/48/275032948.db2.gz TXYWEDAFBKWZRE-GHMZBOCLSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)CCCC1 ZINC000162168888 275032968 /nfs/dbraw/zinc/03/29/68/275032968.db2.gz KQJXCIHLWJVRIQ-UHFFFAOYSA-N 1 0 329.194 2.752 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250783770 275033174 /nfs/dbraw/zinc/03/31/74/275033174.db2.gz TXYWEDAFBKWZRE-QWRGUYRKSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000264844895 275033292 /nfs/dbraw/zinc/03/32/92/275033292.db2.gz FRYFHPCPGJHSQT-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000376156002 275034058 /nfs/dbraw/zinc/03/40/58/275034058.db2.gz GIKMYYRKQMDRMA-LLVKDONJSA-N 1 0 333.417 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)nc1-c1ccc(F)cc1 ZINC000362348666 275034956 /nfs/dbraw/zinc/03/49/56/275034956.db2.gz LUPKBLGWOINSBL-UHFFFAOYSA-N 1 0 330.363 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150893826 275036127 /nfs/dbraw/zinc/03/61/27/275036127.db2.gz BFSJOTGAXKWGTL-CYBMUJFWSA-N 1 0 334.376 2.958 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C4CCCCC4)CC3)c21 ZINC000347411691 275039556 /nfs/dbraw/zinc/03/95/56/275039556.db2.gz RJUDRNDEGREDNP-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO CC1(C)CN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000192831875 275845461 /nfs/dbraw/zinc/84/54/61/275845461.db2.gz DVTNVPXFRNUZBO-QGZVFWFLSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000089728820 275955178 /nfs/dbraw/zinc/95/51/78/275955178.db2.gz QTGBCRYFEMSVIJ-HYVNUMGLSA-N 1 0 345.443 2.905 20 5 EFBDRO CC(C)[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000436377864 276032943 /nfs/dbraw/zinc/03/29/43/276032943.db2.gz OTVPJESETNKWNG-GFCCVEGCSA-N 1 0 332.326 2.785 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](CC)CC)CC(C)C ZINC000361074765 276326341 /nfs/dbraw/zinc/32/63/41/276326341.db2.gz QOIFCACRCLLBFM-UHFFFAOYSA-N 1 0 325.457 2.924 20 5 EFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339089993 276340329 /nfs/dbraw/zinc/34/03/29/276340329.db2.gz FHKYAANKFBKKJN-UONOGXRCSA-N 1 0 348.321 2.897 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000132865365 276863861 /nfs/dbraw/zinc/86/38/61/276863861.db2.gz ZHWNGYSMIRZAQF-MRXNPFEDSA-N 1 0 337.395 2.974 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000237311812 277031714 /nfs/dbraw/zinc/03/17/14/277031714.db2.gz GDLAIBHVIJBYMO-CYBMUJFWSA-N 1 0 333.432 2.964 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000372433803 277037744 /nfs/dbraw/zinc/03/77/44/277037744.db2.gz PRNFFJKDDQHUGI-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421022604 277190238 /nfs/dbraw/zinc/19/02/38/277190238.db2.gz AKLLMMMCQUDIRL-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO COc1cccc(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000364896493 277455771 /nfs/dbraw/zinc/45/57/71/277455771.db2.gz IOHNMMWTSZDCTM-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000136517284 277586672 /nfs/dbraw/zinc/58/66/72/277586672.db2.gz ZNRQAOOPIVXQCQ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC[N@@H+]1C ZINC000343451719 278100952 /nfs/dbraw/zinc/10/09/52/278100952.db2.gz GDIJWKNILMVXEB-UKRRQHHQSA-N 1 0 326.400 2.973 20 5 EFBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589463 278232270 /nfs/dbraw/zinc/23/22/70/278232270.db2.gz XVFZUDDZWJYBAD-KBXCAEBGSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)(C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000457051330 278272460 /nfs/dbraw/zinc/27/24/60/278272460.db2.gz HUZLZISSQANGFH-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000192715524 278371813 /nfs/dbraw/zinc/37/18/13/278371813.db2.gz KBSCSHRSGCMKRO-CXAGYDPISA-N 1 0 331.416 2.963 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365736736 278381856 /nfs/dbraw/zinc/38/18/56/278381856.db2.gz UPPHLHLHTCAKDV-HIFRSBDPSA-N 1 0 329.404 2.648 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933197 288075268 /nfs/dbraw/zinc/07/52/68/288075268.db2.gz DZGFRIUWEMWEBG-MFKMUULPSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933199 288079168 /nfs/dbraw/zinc/07/91/68/288079168.db2.gz DZGFRIUWEMWEBG-ZWNOBZJWSA-N 1 0 325.796 2.660 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188153325 279274763 /nfs/dbraw/zinc/27/47/63/279274763.db2.gz LJCJGECVGBIHTN-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417385753 279381850 /nfs/dbraw/zinc/38/18/50/279381850.db2.gz RXUVSJJKCGMCBV-CQSZACIVSA-N 1 0 336.432 2.683 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363752176 279533753 /nfs/dbraw/zinc/53/37/53/279533753.db2.gz QYUOEVQUAOKHGC-WBAXXEDZSA-N 1 0 333.432 2.889 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc1[N+](=O)[O-] ZINC000358231724 279964879 /nfs/dbraw/zinc/96/48/79/279964879.db2.gz ASKYEOBLFAVDHI-FPMFFAJLSA-N 1 0 335.404 2.559 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1C1CC1 ZINC000267974048 280006158 /nfs/dbraw/zinc/00/61/58/280006158.db2.gz NBIIRAXATYLQOY-JQWIXIFHSA-N 1 0 329.356 2.696 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000347328616 280176555 /nfs/dbraw/zinc/17/65/55/280176555.db2.gz BTBVEIWMNIEFLB-XJKSGUPXSA-N 1 0 330.344 2.571 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000352118409 280359124 /nfs/dbraw/zinc/35/91/24/280359124.db2.gz RQDBEYKJXRCVSA-GFCCVEGCSA-N 1 0 325.359 2.933 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000421765877 280400238 /nfs/dbraw/zinc/40/02/38/280400238.db2.gz AUGBTBMIZRFLAA-HNNXBMFYSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420263901 280570631 /nfs/dbraw/zinc/57/06/31/280570631.db2.gz TVOBMYWXIAKKBS-MNOVXSKESA-N 1 0 329.322 2.968 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000182809983 281022017 /nfs/dbraw/zinc/02/20/17/281022017.db2.gz GWEQRNSGQZEIMN-JKSUJKDBSA-N 1 0 333.432 2.618 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000261667523 281194066 /nfs/dbraw/zinc/19/40/66/281194066.db2.gz LIUIQWGDQXYWDI-INIZCTEOSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266754852 281259046 /nfs/dbraw/zinc/25/90/46/281259046.db2.gz UFEIQEMLPIFVAR-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000340023492 281259955 /nfs/dbraw/zinc/25/99/55/281259955.db2.gz PXPLSAYJLNEOPI-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO CCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422625782 288534019 /nfs/dbraw/zinc/53/40/19/288534019.db2.gz HYOSPSSPVBKILI-OAHLLOKOSA-N 1 0 325.368 2.687 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067706602 292698478 /nfs/dbraw/zinc/69/84/78/292698478.db2.gz RLFJDGIFNOJLHD-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000338048257 289298350 /nfs/dbraw/zinc/29/83/50/289298350.db2.gz TVVNISFQHAJHMF-HZPDHXFCSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348495 289467049 /nfs/dbraw/zinc/46/70/49/289467049.db2.gz JPOAWKUBKFSYJY-GFCCVEGCSA-N 1 0 332.379 2.970 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269270059 289779905 /nfs/dbraw/zinc/77/99/05/289779905.db2.gz MAQUXYVMJYUQOP-VHSXEESVSA-N 1 0 345.321 2.813 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000079694282 292792559 /nfs/dbraw/zinc/79/25/59/292792559.db2.gz ODGYURLEZPEXDX-ABAIWWIYSA-N 1 0 337.445 2.532 20 5 EFBDRO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000080095258 292798086 /nfs/dbraw/zinc/79/80/86/292798086.db2.gz BSETUHVXFYINKV-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000089302723 292831334 /nfs/dbraw/zinc/83/13/34/292831334.db2.gz ADGHDBCWCPWYCG-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112919623 292874191 /nfs/dbraw/zinc/87/41/91/292874191.db2.gz RXZHOINKRIYKOW-CSKARUKUSA-N 1 0 337.395 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000120093077 292920715 /nfs/dbraw/zinc/92/07/15/292920715.db2.gz JMHVACQSORKCQO-CRAIPNDOSA-N 1 0 335.448 2.911 20 5 EFBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCCO1 ZINC000126006911 293024226 /nfs/dbraw/zinc/02/42/26/293024226.db2.gz IPKGYHICJWNARO-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126181793 293031181 /nfs/dbraw/zinc/03/11/81/293031181.db2.gz ZKXDTTORVMMQPX-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000126300630 293034221 /nfs/dbraw/zinc/03/42/21/293034221.db2.gz WXXMVVFNOPOMNF-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000128500935 293104474 /nfs/dbraw/zinc/10/44/74/293104474.db2.gz PAIOQTDKCXHUJS-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000130081189 293153678 /nfs/dbraw/zinc/15/36/78/293153678.db2.gz NPKTYFHKOOWGBF-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000131895539 293212077 /nfs/dbraw/zinc/21/20/77/293212077.db2.gz AACVZTWRLXNWOA-MRXNPFEDSA-N 1 0 348.447 2.905 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1[N+](=O)[O-] ZINC000153940713 293401976 /nfs/dbraw/zinc/40/19/76/293401976.db2.gz WAWKJYWDRKUKDI-DGCLKSJQSA-N 1 0 328.434 2.758 20 5 EFBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000154218203 293415006 /nfs/dbraw/zinc/41/50/06/293415006.db2.gz LAMKHSFLNBAWTC-UHFFFAOYSA-N 1 0 325.434 2.634 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000156065574 293497993 /nfs/dbraw/zinc/49/79/93/293497993.db2.gz ZHXJUXCHDDSMJX-LBPRGKRZSA-N 1 0 344.415 2.849 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255366470 293851615 /nfs/dbraw/zinc/85/16/15/293851615.db2.gz DFFSJZBNGYBNAQ-ZPIQOJFGSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255575282 293869727 /nfs/dbraw/zinc/86/97/27/293869727.db2.gz LTZINMHUHMBHMX-MWWKQMNYSA-N 1 0 329.400 2.552 20 5 EFBDRO CCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255633205 293875641 /nfs/dbraw/zinc/87/56/41/293875641.db2.gz LNKGBNNOPFHXQP-ALCCZGGFSA-N 1 0 331.416 2.846 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000289810558 293916914 /nfs/dbraw/zinc/91/69/14/293916914.db2.gz NMPARXGDADILOY-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CC2)c1 ZINC000290055694 293988256 /nfs/dbraw/zinc/98/82/56/293988256.db2.gz XJWUCAMFWBPLGI-UHFFFAOYSA-N 1 0 332.141 2.699 20 5 EFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290110338 294001491 /nfs/dbraw/zinc/00/14/91/294001491.db2.gz IQYVPLAZPQZIMF-ZIAGYGMSSA-N 1 0 336.436 2.630 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290195619 294024212 /nfs/dbraw/zinc/02/42/12/294024212.db2.gz QVPCMZIUCPGYBC-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290799173 294188709 /nfs/dbraw/zinc/18/87/09/294188709.db2.gz OYCOZCJPAAZFJM-LLVKDONJSA-N 1 0 333.392 2.776 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000290851334 294203162 /nfs/dbraw/zinc/20/31/62/294203162.db2.gz XJMBZEUBIYFJAT-RHSMWYFYSA-N 1 0 332.400 2.599 20 5 EFBDRO C[N@H+](C[C@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290866089 294206620 /nfs/dbraw/zinc/20/66/20/294206620.db2.gz ZFTPBTLLORULEC-JTQLQIEISA-N 1 0 335.187 2.736 20 5 EFBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290867888 294207538 /nfs/dbraw/zinc/20/75/38/294207538.db2.gz ARHUBULQVYSEAP-CYBMUJFWSA-N 1 0 338.427 2.728 20 5 EFBDRO O=C1OCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290896890 294214481 /nfs/dbraw/zinc/21/44/81/294214481.db2.gz NMGNHLCBKLCZRT-UHFFFAOYSA-N 1 0 348.186 2.834 20 5 EFBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290912374 294218655 /nfs/dbraw/zinc/21/86/55/294218655.db2.gz GZUHGEJYVYJISK-UHFFFAOYSA-N 1 0 349.435 2.545 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000290972814 294234691 /nfs/dbraw/zinc/23/46/91/294234691.db2.gz UDRUFYXYOAVCBF-SNVBAGLBSA-N 1 0 345.802 2.775 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290971636 294234706 /nfs/dbraw/zinc/23/47/06/294234706.db2.gz TXTKMHYKIFPCLZ-SNVBAGLBSA-N 1 0 345.346 2.655 20 5 EFBDRO Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291018725 294248649 /nfs/dbraw/zinc/24/86/49/294248649.db2.gz VUIKBORDYDREPQ-UHFFFAOYSA-N 1 0 337.395 2.591 20 5 EFBDRO Cc1sc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC000291084323 294270203 /nfs/dbraw/zinc/27/02/03/294270203.db2.gz OWOMXTKBNIBHAV-UHFFFAOYSA-N 1 0 333.369 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291154549 294292632 /nfs/dbraw/zinc/29/26/32/294292632.db2.gz BRUCFZVPTXFHSB-SFHVURJKSA-N 1 0 330.359 2.870 20 5 EFBDRO CO[C@@](C)(C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291173245 294299181 /nfs/dbraw/zinc/29/91/81/294299181.db2.gz KBCNBQSRZJIEHW-SJCJKPOMSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)C ZINC000291366289 294360269 /nfs/dbraw/zinc/36/02/69/294360269.db2.gz ZJMSSCBYEQWTJB-UHFFFAOYSA-N 1 0 337.376 2.630 20 5 EFBDRO C[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291409849 294374146 /nfs/dbraw/zinc/37/41/46/294374146.db2.gz GFYGBSMZXKYZII-UHFFFAOYSA-N 1 0 332.187 2.726 20 5 EFBDRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291460863 294387420 /nfs/dbraw/zinc/38/74/20/294387420.db2.gz DDLFCIXLJWRYGN-UHFFFAOYSA-N 1 0 349.214 2.921 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291489138 294395284 /nfs/dbraw/zinc/39/52/84/294395284.db2.gz SIFSOTCSUGJEIU-UHFFFAOYSA-N 1 0 334.203 2.972 20 5 EFBDRO CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291585346 294422565 /nfs/dbraw/zinc/42/25/65/294422565.db2.gz FRWMAMDCIVDCPD-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000292044996 294561650 /nfs/dbraw/zinc/56/16/50/294561650.db2.gz IPJUOTUGOKAIEL-AWEZNQCLSA-N 1 0 348.447 2.832 20 5 EFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])cc1SC ZINC000292169683 294600921 /nfs/dbraw/zinc/60/09/21/294600921.db2.gz VZGRJOQHIRECRC-SNVBAGLBSA-N 1 0 341.433 2.573 20 5 EFBDRO Cc1cc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])no1 ZINC000292221063 294616779 /nfs/dbraw/zinc/61/67/79/294616779.db2.gz VAEGHIGEORYJOZ-UHFFFAOYSA-N 1 0 332.360 2.745 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292380785 294665267 /nfs/dbraw/zinc/66/52/67/294665267.db2.gz JRSDIJQUJBGNQG-XNJJOIOASA-N 1 0 348.424 2.982 20 5 EFBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292708687 294764271 /nfs/dbraw/zinc/76/42/71/294764271.db2.gz HESSHMYELGKGFH-UHFFFAOYSA-N 1 0 346.353 2.581 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293654996 295020601 /nfs/dbraw/zinc/02/06/01/295020601.db2.gz IQIAZEPCUQHRLK-GFCCVEGCSA-N 1 0 335.379 2.680 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293710052 295033296 /nfs/dbraw/zinc/03/32/96/295033296.db2.gz OFYHAUWQXYILRH-ZDUSSCGKSA-N 1 0 331.416 2.850 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)N1C ZINC000293856480 295065033 /nfs/dbraw/zinc/06/50/33/295065033.db2.gz AXSQIFAJBZUHIX-PHIMTYICSA-N 1 0 333.413 2.974 20 5 EFBDRO COc1cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911296 295077592 /nfs/dbraw/zinc/07/75/92/295077592.db2.gz FYYCBSJXUDKTMB-ZWKOTPCHSA-N 1 0 348.399 2.755 20 5 EFBDRO CSCc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000294064947 295105358 /nfs/dbraw/zinc/10/53/58/295105358.db2.gz YDYHNLCSJGMNLU-UHFFFAOYSA-N 1 0 338.458 2.880 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000294149383 295119251 /nfs/dbraw/zinc/11/92/51/295119251.db2.gz OUJXUAYXQBMPES-UONOGXRCSA-N 1 0 348.321 2.897 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000294149385 295119270 /nfs/dbraw/zinc/11/92/70/295119270.db2.gz OUJXUAYXQBMPES-ZIAGYGMSSA-N 1 0 348.321 2.897 20 5 EFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294171800 295122274 /nfs/dbraw/zinc/12/22/74/295122274.db2.gz PYNRUAOZZYNNPJ-AWEZNQCLSA-N 1 0 345.321 2.572 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294229059 295131661 /nfs/dbraw/zinc/13/16/61/295131661.db2.gz RKPDEPRULWHFAS-SFHVURJKSA-N 1 0 347.415 2.551 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294229057 295131763 /nfs/dbraw/zinc/13/17/63/295131763.db2.gz RKPDEPRULWHFAS-GOSISDBHSA-N 1 0 347.415 2.551 20 5 EFBDRO CC(C)(CCC(=O)Nc1nc(CN2CCCCC2)cs1)[N+](=O)[O-] ZINC000294343228 295150955 /nfs/dbraw/zinc/15/09/55/295150955.db2.gz ASIYIOFIXQOUAZ-UHFFFAOYSA-N 1 0 340.449 2.903 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294380759 295157491 /nfs/dbraw/zinc/15/74/91/295157491.db2.gz ZYUKYMOXKGBIFX-SFHVURJKSA-N 1 0 347.415 2.551 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(O)CCOCC1 ZINC000294542117 295183547 /nfs/dbraw/zinc/18/35/47/295183547.db2.gz KJIDDIKBMTYBCT-UHFFFAOYSA-N 1 0 348.321 2.587 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294652097 295200831 /nfs/dbraw/zinc/20/08/31/295200831.db2.gz YNRAACCHVGTZGZ-UHFFFAOYSA-N 1 0 335.448 2.979 20 5 EFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)o1 ZINC000294783921 295226954 /nfs/dbraw/zinc/22/69/54/295226954.db2.gz ASQIVGVILOCXBW-AWEZNQCLSA-N 1 0 331.376 2.844 20 5 EFBDRO C[C@@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000294819186 295232545 /nfs/dbraw/zinc/23/25/45/295232545.db2.gz CPBLIZKLTHWMJG-HNNXBMFYSA-N 1 0 335.448 2.849 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000294843302 295235739 /nfs/dbraw/zinc/23/57/39/295235739.db2.gz BRAWXSABFOWPMI-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CN(C)C(=O)O[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294862996 295238099 /nfs/dbraw/zinc/23/80/99/295238099.db2.gz TZBDWFAJUOCFHR-PXTSUWAFSA-N 1 0 333.388 2.771 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294870461 295239044 /nfs/dbraw/zinc/23/90/44/295239044.db2.gz GVZDDEUKYWUSOM-HUUCEWRRSA-N 1 0 347.415 2.547 20 5 EFBDRO Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294939228 295248452 /nfs/dbraw/zinc/24/84/52/295248452.db2.gz JOKLWZUOESBHAP-DOMZBBRYSA-N 1 0 327.388 2.626 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294983234 295253965 /nfs/dbraw/zinc/25/39/65/295253965.db2.gz JXXDFDKMCJWNKP-WWTUQBGBSA-N 1 0 346.431 2.527 20 5 EFBDRO Cc1[nH+]c2c(n1[C@H]1CCN(c3ncc([N+](=O)[O-])c(C)n3)C1)CCCC2 ZINC000295023177 295258757 /nfs/dbraw/zinc/25/87/57/295258757.db2.gz MINMCKZZDUVMGF-ZDUSSCGKSA-N 1 0 342.403 2.528 20 5 EFBDRO C[C@@H](CCCCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295085122 295266301 /nfs/dbraw/zinc/26/63/01/295266301.db2.gz QXIUXNCPNPNFHB-ZDUSSCGKSA-N 1 0 332.404 2.636 20 5 EFBDRO C[C@H](CCCCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295085118 295266378 /nfs/dbraw/zinc/26/63/78/295266378.db2.gz QXIUXNCPNPNFHB-CYBMUJFWSA-N 1 0 332.404 2.636 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295131151 295272233 /nfs/dbraw/zinc/27/22/33/295272233.db2.gz YKKITHRPJLERJU-NSHDSACASA-N 1 0 348.428 2.909 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295181905 295278900 /nfs/dbraw/zinc/27/89/00/295278900.db2.gz VXYFJXLNWFUPFV-PJXYFTJBSA-N 1 0 339.417 2.611 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C1CC1 ZINC000295285585 295293507 /nfs/dbraw/zinc/29/35/07/295293507.db2.gz PUGMZSHGDWDVLP-UHFFFAOYSA-N 1 0 325.796 2.771 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000295442356 295321042 /nfs/dbraw/zinc/32/10/42/295321042.db2.gz LMFBAZPDCCGSRK-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295467119 295325648 /nfs/dbraw/zinc/32/56/48/295325648.db2.gz YZDORSYJWUSJOX-VXGBXAGGSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295616913 295350157 /nfs/dbraw/zinc/35/01/57/295350157.db2.gz ODZSROTUHGYDGI-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000295635024 295352476 /nfs/dbraw/zinc/35/24/76/295352476.db2.gz XUBZWADXLUTPSS-HNNXBMFYSA-N 1 0 349.431 2.843 20 5 EFBDRO C[N@H+](CCn1cc(Br)c([N+](=O)[O-])n1)Cc1ccccc1 ZINC000295636154 295352816 /nfs/dbraw/zinc/35/28/16/295352816.db2.gz BRXWGFOLSXXTCY-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000295830901 295382227 /nfs/dbraw/zinc/38/22/27/295382227.db2.gz CLAQPGNMDAKETM-VUCTXSBTSA-N 1 0 347.415 2.635 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844412 295384679 /nfs/dbraw/zinc/38/46/79/295384679.db2.gz DGQBOBMRIBMYKQ-COLVAYQJSA-N 1 0 346.387 2.794 20 5 EFBDRO CN(CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000295900205 295393800 /nfs/dbraw/zinc/39/38/00/295393800.db2.gz CBEMARUYSJVYDC-UHFFFAOYSA-N 1 0 327.356 2.690 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000295948265 295401604 /nfs/dbraw/zinc/40/16/04/295401604.db2.gz ILDIIYMIYLBUDI-HZMVEIRTSA-N 1 0 332.400 2.566 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000296052108 295417604 /nfs/dbraw/zinc/41/76/04/295417604.db2.gz FTSVUXPECKHHED-JKSUJKDBSA-N 1 0 347.415 2.779 20 5 EFBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000296100106 295424485 /nfs/dbraw/zinc/42/44/85/295424485.db2.gz ULXBPRLDZRLMMK-UHFFFAOYSA-N 1 0 347.337 2.791 20 5 EFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000181094793 297233167 /nfs/dbraw/zinc/23/31/67/297233167.db2.gz OUQUKIJIIWTIOT-ZIAGYGMSSA-N 1 0 348.447 2.546 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000343327113 298686951 /nfs/dbraw/zinc/68/69/51/298686951.db2.gz ALFJNOAHEVAAFX-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO O=C1CCCCN1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361226693 304624891 /nfs/dbraw/zinc/62/48/91/304624891.db2.gz CBPQVXAXJQGZRK-KRWDZBQOSA-N 1 0 345.443 2.908 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000194480478 302039349 /nfs/dbraw/zinc/03/93/49/302039349.db2.gz QAKPCQNYONYACS-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000194484746 302039675 /nfs/dbraw/zinc/03/96/75/302039675.db2.gz IJCKOFFLEZHQRO-KCQAQPDRSA-N 1 0 333.432 2.999 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265936013 303638375 /nfs/dbraw/zinc/63/83/75/303638375.db2.gz BBEXOLBUSUJIJG-CQSZACIVSA-N 1 0 349.456 2.631 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341885257 304807668 /nfs/dbraw/zinc/80/76/68/304807668.db2.gz LTFXXNSHLAFWDK-PBHICJAKSA-N 1 0 326.400 2.928 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000135627346 310657702 /nfs/dbraw/zinc/65/77/02/310657702.db2.gz HLWBRBHZAKRCHF-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000179523850 310788228 /nfs/dbraw/zinc/78/82/28/310788228.db2.gz LMCBAVCUIPJKCB-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793451 310791252 /nfs/dbraw/zinc/79/12/52/310791252.db2.gz JOVUCLYWZPOKAX-QZTJIDSGSA-N 1 0 346.431 2.919 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180447364 310799512 /nfs/dbraw/zinc/79/95/12/310799512.db2.gz XNNOTHYIPIIAKG-LBPRGKRZSA-N 1 0 331.347 2.701 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296651468 310834102 /nfs/dbraw/zinc/83/41/02/310834102.db2.gz DGFJMYZRGUCKPU-RDJZCZTQSA-N 1 0 333.432 2.941 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000297296653 310877489 /nfs/dbraw/zinc/87/74/89/310877489.db2.gz VGESPJZPNFMMJS-IAGOWNOFSA-N 1 0 343.358 2.691 20 5 EFBDRO NC(=O)CC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000297305783 310878838 /nfs/dbraw/zinc/87/88/38/310878838.db2.gz BYAPVVPUCAHKQO-UHFFFAOYSA-N 1 0 349.774 2.815 20 5 EFBDRO CS[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000297557675 310908201 /nfs/dbraw/zinc/90/82/01/310908201.db2.gz RIYJGWXXJIPCBC-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CO2 ZINC000297646303 310917353 /nfs/dbraw/zinc/91/73/53/310917353.db2.gz JZRBVBOYWUJNHM-AWEZNQCLSA-N 1 0 344.367 2.705 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000298699687 311015481 /nfs/dbraw/zinc/01/54/81/311015481.db2.gz BPIGGDIPWHFYHH-LBPRGKRZSA-N 1 0 331.372 2.803 20 5 EFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000298828221 311026780 /nfs/dbraw/zinc/02/67/80/311026780.db2.gz ZNPQVRXSDOJXEO-NVXWUHKLSA-N 1 0 345.443 2.965 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000298828225 311026787 /nfs/dbraw/zinc/02/67/87/311026787.db2.gz ZNPQVRXSDOJXEO-RDJZCZTQSA-N 1 0 345.443 2.965 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298901919 311033165 /nfs/dbraw/zinc/03/31/65/311033165.db2.gz KYTLSJPJFNVFPM-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000298933647 311035666 /nfs/dbraw/zinc/03/56/66/311035666.db2.gz AVYHZUHZZURZIU-CVEARBPZSA-N 1 0 344.415 2.526 20 5 EFBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000298990805 311040021 /nfs/dbraw/zinc/04/00/21/311040021.db2.gz KSPJXJNEEVTRDM-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299083684 311049137 /nfs/dbraw/zinc/04/91/37/311049137.db2.gz SMWJSAWAGHPVBA-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299125093 311053907 /nfs/dbraw/zinc/05/39/07/311053907.db2.gz WUUYURIMHWCFCN-LLVKDONJSA-N 1 0 325.434 2.897 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299175414 311059091 /nfs/dbraw/zinc/05/90/91/311059091.db2.gz WXVXDWDXTDZTSM-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000299254967 311065933 /nfs/dbraw/zinc/06/59/33/311065933.db2.gz DMYUSVQRDOSXRI-JTQLQIEISA-N 1 0 329.784 2.544 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000299293919 311069821 /nfs/dbraw/zinc/06/98/21/311069821.db2.gz QRTCPZYGDUGHDH-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000299372621 311078142 /nfs/dbraw/zinc/07/81/42/311078142.db2.gz WFXJOASAEDBPIP-UHFFFAOYSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1cc(NC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299397454 311080544 /nfs/dbraw/zinc/08/05/44/311080544.db2.gz WAQBHGJJTFWRFB-UHFFFAOYSA-N 1 0 327.388 2.866 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299440328 311085311 /nfs/dbraw/zinc/08/53/11/311085311.db2.gz JKYIJVMIDWBGFF-GFCCVEGCSA-N 1 0 348.428 2.626 20 5 EFBDRO CC[N@H+](CCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299446492 311085603 /nfs/dbraw/zinc/08/56/03/311085603.db2.gz YBGFFMMOZOVUOL-UHFFFAOYSA-N 1 0 333.413 2.820 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299548435 311095586 /nfs/dbraw/zinc/09/55/86/311095586.db2.gz BMQBXWJMTGPYHX-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO O=C(CC[N@H+](Cc1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299652819 311107459 /nfs/dbraw/zinc/10/74/59/311107459.db2.gz LCDKLHWDABRGHL-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO COc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342101 311132457 /nfs/dbraw/zinc/13/24/57/311132457.db2.gz GMASYATZYLMQGT-BETUJISGSA-N 1 0 337.420 2.903 20 5 EFBDRO CCc1nn(C)c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301349899 311133050 /nfs/dbraw/zinc/13/30/50/311133050.db2.gz JKHLKGTXEILFKB-HNNXBMFYSA-N 1 0 343.431 2.967 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000301383257 311134735 /nfs/dbraw/zinc/13/47/35/311134735.db2.gz VNGMRLYWGMUBFG-KRWDZBQOSA-N 1 0 348.447 2.877 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301431734 311136999 /nfs/dbraw/zinc/13/69/99/311136999.db2.gz GYPOXTJZKHCPIZ-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301503490 311141340 /nfs/dbraw/zinc/14/13/40/311141340.db2.gz FXSBACYKWOZWBT-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301646890 311149752 /nfs/dbraw/zinc/14/97/52/311149752.db2.gz DGAGCXPRERLMLK-LLVKDONJSA-N 1 0 328.210 2.888 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301860936 311163138 /nfs/dbraw/zinc/16/31/38/311163138.db2.gz DOGWUUDHNRFQFF-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1ccsc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000301921166 311166898 /nfs/dbraw/zinc/16/68/98/311166898.db2.gz DLEPVRVELXCWQL-UHFFFAOYSA-N 1 0 346.456 2.886 20 5 EFBDRO CC(=O)OC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302109362 311178187 /nfs/dbraw/zinc/17/81/87/311178187.db2.gz YXXGNBNRLWTITC-UHFFFAOYSA-N 1 0 329.356 2.983 20 5 EFBDRO C[C@@H](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302135480 311179713 /nfs/dbraw/zinc/17/97/13/311179713.db2.gz HTNIWBSITUFTJU-LBPRGKRZSA-N 1 0 345.403 2.920 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302138185 311179812 /nfs/dbraw/zinc/17/98/12/311179812.db2.gz CFLUEYVCGADTOT-NSHDSACASA-N 1 0 329.347 2.974 20 5 EFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000302151348 311180829 /nfs/dbraw/zinc/18/08/29/311180829.db2.gz KPLUENMMTSVTOV-KRWDZBQOSA-N 1 0 341.415 2.880 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCOCC1 ZINC000302170478 311181946 /nfs/dbraw/zinc/18/19/46/311181946.db2.gz UHRHUPKAMVBJTF-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO Cc1cc(N2CCC[C@H](CCC(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302183236 311183254 /nfs/dbraw/zinc/18/32/54/311183254.db2.gz OMNXJXZWVBMQIW-CYBMUJFWSA-N 1 0 342.399 2.933 20 5 EFBDRO CCOC(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302201755 311184144 /nfs/dbraw/zinc/18/41/44/311184144.db2.gz VMEIBVGUVOOQET-UHFFFAOYSA-N 1 0 344.371 2.730 20 5 EFBDRO C[C@@H]1C[NH+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)O1 ZINC000302458941 311190396 /nfs/dbraw/zinc/19/03/96/311190396.db2.gz QYQVNRNOQZNEFQ-ZIAGYGMSSA-N 1 0 348.447 2.864 20 5 EFBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312888372 311230855 /nfs/dbraw/zinc/23/08/55/311230855.db2.gz WHHPKXDFGHWJNW-ZYHUDNBSSA-N 1 0 340.221 2.854 20 5 EFBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313375673 311232244 /nfs/dbraw/zinc/23/22/44/311232244.db2.gz XMURVHIJLPFJLA-QGZVFWFLSA-N 1 0 327.384 2.750 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313372876 311232288 /nfs/dbraw/zinc/23/22/88/311232288.db2.gz IUBSXXQNEYBUKM-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000315459682 311234590 /nfs/dbraw/zinc/23/45/90/311234590.db2.gz ZCYYPSSSFOQIFV-SNVBAGLBSA-N 1 0 335.385 2.731 20 5 EFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324626009 311242168 /nfs/dbraw/zinc/24/21/68/311242168.db2.gz RBPOXAFIOPDMBK-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000327501458 311245223 /nfs/dbraw/zinc/24/52/23/311245223.db2.gz GQGWMKUPTZYTRA-INIZCTEOSA-N 1 0 348.374 2.710 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330447538 311318191 /nfs/dbraw/zinc/31/81/91/311318191.db2.gz WCQSODFMHRIGCW-OAHLLOKOSA-N 1 0 333.432 2.887 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000330562346 311322161 /nfs/dbraw/zinc/32/21/61/311322161.db2.gz JHWLNNPZUPIOBR-CHWSQXEVSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330853519 311338784 /nfs/dbraw/zinc/33/87/84/311338784.db2.gz GQEHMIPBDBKLFA-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330869350 311340040 /nfs/dbraw/zinc/34/00/40/311340040.db2.gz SXAIDRNZFRKBFJ-LBPRGKRZSA-N 1 0 337.395 2.638 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330988226 311347253 /nfs/dbraw/zinc/34/72/53/311347253.db2.gz RBGVBVCOUPRSSB-VXGBXAGGSA-N 1 0 325.384 2.657 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330988222 311347303 /nfs/dbraw/zinc/34/73/03/311347303.db2.gz RBGVBVCOUPRSSB-NWDGAFQWSA-N 1 0 325.384 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331101913 311354440 /nfs/dbraw/zinc/35/44/40/311354440.db2.gz GLYJTWSFWPCCRI-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331291913 311365497 /nfs/dbraw/zinc/36/54/97/311365497.db2.gz PQUOUDKGBPXLEQ-QEORTHHSSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000331470609 311380617 /nfs/dbraw/zinc/38/06/17/311380617.db2.gz OONPFNOUPBRQEP-NILFDRSVSA-N 1 0 332.408 2.527 20 5 EFBDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331520494 311385790 /nfs/dbraw/zinc/38/57/90/311385790.db2.gz VQKSNOIISFDOOM-CABCVRRESA-N 1 0 333.392 2.712 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331590395 311394420 /nfs/dbraw/zinc/39/44/20/311394420.db2.gz YEQLNRJTKIUYIR-NVXWUHKLSA-N 1 0 347.463 2.739 20 5 EFBDRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331614577 311397215 /nfs/dbraw/zinc/39/72/15/311397215.db2.gz WODPFYHMNCAXBG-MRXNPFEDSA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331621418 311398208 /nfs/dbraw/zinc/39/82/08/311398208.db2.gz UBEHGCTZNDTUCE-STQMWFEESA-N 1 0 349.406 2.971 20 5 EFBDRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331621404 311398379 /nfs/dbraw/zinc/39/83/79/311398379.db2.gz UBEHGCTZNDTUCE-CHWSQXEVSA-N 1 0 349.406 2.971 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331623406 311398577 /nfs/dbraw/zinc/39/85/77/311398577.db2.gz YCQJIIGNWQXEIU-TZMCWYRMSA-N 1 0 327.388 2.738 20 5 EFBDRO CC1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709841 311410468 /nfs/dbraw/zinc/41/04/68/311410468.db2.gz CLUDQFSJPILFEZ-CVEARBPZSA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331937138 311436479 /nfs/dbraw/zinc/43/64/79/311436479.db2.gz XEPLINSELDXYQP-QRTARXTBSA-N 1 0 346.431 2.624 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332203579 311470518 /nfs/dbraw/zinc/47/05/18/311470518.db2.gz SZRSWYATZLYUNW-BFHYXJOUSA-N 1 0 332.404 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332226485 311474623 /nfs/dbraw/zinc/47/46/23/311474623.db2.gz ZGGYODRBUMNQIM-IHRRRGAJSA-N 1 0 332.404 2.803 20 5 EFBDRO COc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332389496 311497664 /nfs/dbraw/zinc/49/76/64/311497664.db2.gz RAAJVWOPCUDBAO-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000332644783 311530258 /nfs/dbraw/zinc/53/02/58/311530258.db2.gz MBJDVLLJUUKQBB-STQMWFEESA-N 1 0 329.404 2.975 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000340436052 311717999 /nfs/dbraw/zinc/71/79/99/311717999.db2.gz ALEFOIHIDGENBL-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342924286 311726871 /nfs/dbraw/zinc/72/68/71/311726871.db2.gz HUOCYDCZVCUATM-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C23CCC[NH+]2CCC3)n1 ZINC000351221328 311867539 /nfs/dbraw/zinc/86/75/39/311867539.db2.gz MYHLPWWONACEIW-UHFFFAOYSA-N 1 0 343.387 2.717 20 5 EFBDRO CCNc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000395712696 311957542 /nfs/dbraw/zinc/95/75/42/311957542.db2.gz HHVWMOYEOIPYDO-UHFFFAOYSA-N 1 0 336.436 2.877 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414558419 312051029 /nfs/dbraw/zinc/05/10/29/312051029.db2.gz YVQWLXULLWRVTD-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000414804825 312053664 /nfs/dbraw/zinc/05/36/64/312053664.db2.gz XWFPEYVZKLBULU-OAHLLOKOSA-N 1 0 333.388 2.936 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CN)C1CCCCC1 ZINC000414832931 312055806 /nfs/dbraw/zinc/05/58/06/312055806.db2.gz FHCJIPBYEHZSKD-DYVFJYSZSA-N 1 0 348.447 2.809 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CCCCC1 ZINC000414832936 312055844 /nfs/dbraw/zinc/05/58/44/312055844.db2.gz FHCJIPBYEHZSKD-SUMWQHHRSA-N 1 0 348.447 2.809 20 5 EFBDRO COc1cc(C[NH2+]Cc2cc(C)cc(N)c2)c([N+](=O)[O-])cc1OC ZINC000414969196 312068846 /nfs/dbraw/zinc/06/88/46/312068846.db2.gz SLIYSSJSFWUVCH-UHFFFAOYSA-N 1 0 331.372 2.792 20 5 EFBDRO COc1cc(CN(C)CC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415108588 312095551 /nfs/dbraw/zinc/09/55/51/312095551.db2.gz MNAZSNJHXZSOJT-UHFFFAOYSA-N 1 0 345.399 2.573 20 5 EFBDRO COc1ccc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415118050 312097186 /nfs/dbraw/zinc/09/71/86/312097186.db2.gz GOJGWJGSZCYUFJ-GOEBONIOSA-N 1 0 345.374 2.669 20 5 EFBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415437872 312139421 /nfs/dbraw/zinc/13/94/21/312139421.db2.gz LGTRMCFWGMVSES-JTQLQIEISA-N 1 0 346.309 2.829 20 5 EFBDRO CC1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000415439341 312139441 /nfs/dbraw/zinc/13/94/41/312139441.db2.gz MYEPWHHXPVMRPB-UHFFFAOYSA-N 1 0 346.309 2.877 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452051 312140841 /nfs/dbraw/zinc/14/08/41/312140841.db2.gz XVLMZJURKBBZPP-JTQLQIEISA-N 1 0 334.298 2.718 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415650611 312162381 /nfs/dbraw/zinc/16/23/81/312162381.db2.gz FUZGTSZRRXSNEB-GFCCVEGCSA-N 1 0 336.392 2.647 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000415650742 312162460 /nfs/dbraw/zinc/16/24/60/312162460.db2.gz BQJCLQSACJHZPQ-UWWPHRKUSA-N 1 0 331.416 2.639 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308223 312206770 /nfs/dbraw/zinc/20/67/70/312206770.db2.gz HQRHPKASBJVJDE-YOEHRIQHSA-N 1 0 331.416 2.963 20 5 EFBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417311998 312207224 /nfs/dbraw/zinc/20/72/24/312207224.db2.gz MYJNQDFTEREIOJ-RHSMWYFYSA-N 1 0 341.415 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C1CCOCC1)CCCC2 ZINC000417314190 312207650 /nfs/dbraw/zinc/20/76/50/312207650.db2.gz YHVYWWQIPRSNTB-MSOLQXFVSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)CCCC2 ZINC000417334272 312210661 /nfs/dbraw/zinc/21/06/61/312210661.db2.gz RFAHBWMGSFRJIC-RVKKMQEKSA-N 1 0 334.416 2.597 20 5 EFBDRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417335807 312210701 /nfs/dbraw/zinc/21/07/01/312210701.db2.gz GSIJSWLCDBEXKM-WMZOPIPTSA-N 1 0 336.432 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC(O)CC1)CCCC2 ZINC000417344119 312211878 /nfs/dbraw/zinc/21/18/78/312211878.db2.gz RRNZYNUIZZLRJA-IBGZPJMESA-N 1 0 347.459 2.799 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417712866 312259958 /nfs/dbraw/zinc/25/99/58/312259958.db2.gz FYGIATVHHACXOC-JKSUJKDBSA-N 1 0 348.447 2.734 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718180 312261108 /nfs/dbraw/zinc/26/11/08/312261108.db2.gz NVLRQQVLJCWHIO-RHSMWYFYSA-N 1 0 348.447 2.829 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417739419 312263847 /nfs/dbraw/zinc/26/38/47/312263847.db2.gz ZHAJYIDICVAQJC-UHFFFAOYSA-N 1 0 336.436 2.734 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417738930 312263906 /nfs/dbraw/zinc/26/39/06/312263906.db2.gz YYWDRWBETRCCMZ-NVXWUHKLSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417822236 312275691 /nfs/dbraw/zinc/27/56/91/312275691.db2.gz FIXXMTLHIDMRQD-KBPBESRZSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000417842092 312279661 /nfs/dbraw/zinc/27/96/61/312279661.db2.gz GOTIVWJWXAZQQR-ZDUSSCGKSA-N 1 0 334.420 2.925 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000417842091 312279795 /nfs/dbraw/zinc/27/97/95/312279795.db2.gz GOTIVWJWXAZQQR-CYBMUJFWSA-N 1 0 334.420 2.925 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417843950 312280082 /nfs/dbraw/zinc/28/00/82/312280082.db2.gz HDZRLJLWPMLGJY-KGLIPLIRSA-N 1 0 334.420 2.605 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000417843952 312280113 /nfs/dbraw/zinc/28/01/13/312280113.db2.gz HDZRLJLWPMLGJY-ZIAGYGMSSA-N 1 0 334.420 2.605 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417845410 312280462 /nfs/dbraw/zinc/28/04/62/312280462.db2.gz IJDQCFFAUFBQFF-CYBMUJFWSA-N 1 0 332.404 2.573 20 5 EFBDRO CC[C@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417850200 312281308 /nfs/dbraw/zinc/28/13/08/312281308.db2.gz MFUYJRLYGUATBC-JKSUJKDBSA-N 1 0 334.420 2.863 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417853297 312282345 /nfs/dbraw/zinc/28/23/45/312282345.db2.gz OROKZGMFJULRAK-STQMWFEESA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417853295 312282480 /nfs/dbraw/zinc/28/24/80/312282480.db2.gz OROKZGMFJULRAK-OLZOCXBDSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417857200 312283292 /nfs/dbraw/zinc/28/32/92/312283292.db2.gz TZNRAHNYXKPGEL-IPYPFGDCSA-N 1 0 334.420 2.876 20 5 EFBDRO CC[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417859866 312284074 /nfs/dbraw/zinc/28/40/74/312284074.db2.gz XGKNCDAQYYYYPM-BBRMVZONSA-N 1 0 334.420 2.735 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417990684 312305750 /nfs/dbraw/zinc/30/57/50/312305750.db2.gz MMRHOAOECVSXCQ-NSHDSACASA-N 1 0 342.827 2.607 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002620 312307466 /nfs/dbraw/zinc/30/74/66/312307466.db2.gz YXIBYAZPHHGZNV-UHFFFAOYSA-N 1 0 342.827 2.607 20 5 EFBDRO Cc1c(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000418083204 312322722 /nfs/dbraw/zinc/32/27/22/312322722.db2.gz RQTFCYGHQWXCDN-UHFFFAOYSA-N 1 0 340.383 2.506 20 5 EFBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000418138804 312332780 /nfs/dbraw/zinc/33/27/80/312332780.db2.gz VCUAADIWXMDLEA-ALCCZGGFSA-N 1 0 334.416 2.765 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418477879 312360055 /nfs/dbraw/zinc/36/00/55/312360055.db2.gz YQUUOVDYNHJUTM-AWEZNQCLSA-N 1 0 334.420 2.786 20 5 EFBDRO Cc1c(Cc2noc(C34CCC[NH+]3CCC4)n2)cccc1[N+](=O)[O-] ZINC000420489334 312371458 /nfs/dbraw/zinc/37/14/58/312371458.db2.gz VVGPAIXIGYXWJU-UHFFFAOYSA-N 1 0 328.372 2.962 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420578957 312372874 /nfs/dbraw/zinc/37/28/74/312372874.db2.gz ABDBFMGUHHMNBR-MCIONIFRSA-N 1 0 346.431 2.535 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420578960 312372918 /nfs/dbraw/zinc/37/29/18/312372918.db2.gz ABDBFMGUHHMNBR-MJBXVCDLSA-N 1 0 346.431 2.535 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccco1 ZINC000420579469 312373274 /nfs/dbraw/zinc/37/32/74/312373274.db2.gz CSRVYSSRVGULMS-AWEZNQCLSA-N 1 0 346.387 2.782 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420587534 312373903 /nfs/dbraw/zinc/37/39/03/312373903.db2.gz POJSNCFLUPUHLX-ZDUSSCGKSA-N 1 0 334.420 2.618 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420811170 312395144 /nfs/dbraw/zinc/39/51/44/312395144.db2.gz SUUTYXSCZURLRX-UKRRQHHQSA-N 1 0 334.420 2.700 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423469268 312421071 /nfs/dbraw/zinc/42/10/71/312421071.db2.gz OTKZBTIJDVUMLN-UWVGGRQHSA-N 1 0 343.836 2.536 20 5 EFBDRO Cn1ccnc1[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423472397 312421608 /nfs/dbraw/zinc/42/16/08/312421608.db2.gz FVFHUVXNFSZWLB-RDJZCZTQSA-N 1 0 343.431 2.540 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423496792 312424565 /nfs/dbraw/zinc/42/45/65/312424565.db2.gz XRCKFNXSGDTPGZ-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423533936 312431521 /nfs/dbraw/zinc/43/15/21/312431521.db2.gz UUBULUSZTHKXEL-VHSXEESVSA-N 1 0 343.836 2.536 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423849066 312470610 /nfs/dbraw/zinc/47/06/10/312470610.db2.gz QCZYQOHYFAAGJE-QMTHXVAHSA-N 1 0 325.796 2.772 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423947716 312487033 /nfs/dbraw/zinc/48/70/33/312487033.db2.gz DYCCVXITFJWMAF-CYBMUJFWSA-N 1 0 348.428 2.822 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000423976642 312493515 /nfs/dbraw/zinc/49/35/15/312493515.db2.gz MWGCICZIMPKUCO-KRWDZBQOSA-N 1 0 327.384 2.516 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424024592 312498652 /nfs/dbraw/zinc/49/86/52/312498652.db2.gz WFKQJJUJWAUPAD-GXTWGEPZSA-N 1 0 333.432 2.949 20 5 EFBDRO Cc1c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000424034565 312500152 /nfs/dbraw/zinc/50/01/52/312500152.db2.gz NSZWWYCEXXXWBV-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424034101 312500308 /nfs/dbraw/zinc/50/03/08/312500308.db2.gz MXIBLTBSPPUAQJ-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)C2CC3CC(C2)CC1C3 ZINC000424048979 312503425 /nfs/dbraw/zinc/50/34/25/312503425.db2.gz XZDGMCJEFUOCQQ-UHFFFAOYSA-N 1 0 335.429 2.540 20 5 EFBDRO Cc1cc(OCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000432328720 312556985 /nfs/dbraw/zinc/55/69/85/312556985.db2.gz YGKDQLUYUHQYBF-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432339277 312557896 /nfs/dbraw/zinc/55/78/96/312557896.db2.gz SGNGPRPNLXKGIM-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO CCn1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1=O ZINC000433175129 312597841 /nfs/dbraw/zinc/59/78/41/312597841.db2.gz NEOMTFFZTRYGNR-GXDHUFHOSA-N 1 0 327.384 2.970 20 5 EFBDRO Cc1c(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000449279117 312683092 /nfs/dbraw/zinc/68/30/92/312683092.db2.gz NZOZZBHOCIMGAH-UHFFFAOYSA-N 1 0 334.397 2.597 20 5 EFBDRO CCC[NH+]1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450226355 312690857 /nfs/dbraw/zinc/69/08/57/312690857.db2.gz KYQURVNHEHKJBN-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC000453112927 312864343 /nfs/dbraw/zinc/86/43/43/312864343.db2.gz UDQSFIJRAXDFOT-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(=O)NC ZINC000453365858 312893064 /nfs/dbraw/zinc/89/30/64/312893064.db2.gz LRDZLRJHVDQRCR-RYUDHWBXSA-N 1 0 325.434 2.580 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453384084 312895832 /nfs/dbraw/zinc/89/58/32/312895832.db2.gz CLAQHJGMEKRJJC-BJJXKVORSA-N 1 0 330.388 2.899 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411343 312900385 /nfs/dbraw/zinc/90/03/85/312900385.db2.gz AKHHSCNOQPZOHE-CFVMTHIKSA-N 1 0 347.415 2.798 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453426441 312902941 /nfs/dbraw/zinc/90/29/41/312902941.db2.gz HFFGHBUOKICWJF-JSGCOSHPSA-N 1 0 342.399 2.846 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458163462 313081869 /nfs/dbraw/zinc/08/18/69/313081869.db2.gz JJEWMTCOOHTCKI-LBPRGKRZSA-N 1 0 339.823 2.639 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000458228413 313088343 /nfs/dbraw/zinc/08/83/43/313088343.db2.gz UIRFPGFJHQFAHD-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000470139196 313129160 /nfs/dbraw/zinc/12/91/60/313129160.db2.gz ZHIQFBUKXNELPJ-SFHVURJKSA-N 1 0 346.358 2.954 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000470169858 313129570 /nfs/dbraw/zinc/12/95/70/313129570.db2.gz LAMXVWRFJAZKDO-QMJOVRGKSA-N 1 0 345.443 2.652 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000470184817 313130587 /nfs/dbraw/zinc/13/05/87/313130587.db2.gz XRBJDRWRDXFOLF-FYXHJSOBSA-N 1 0 345.443 2.652 20 5 EFBDRO COc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000474695174 313211690 /nfs/dbraw/zinc/21/16/90/313211690.db2.gz JFKAQFKKPNWHNH-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1c(C(=O)NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000475910830 313227820 /nfs/dbraw/zinc/22/78/20/313227820.db2.gz KUNCYKOOZIVRMX-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486944926 313350773 /nfs/dbraw/zinc/35/07/73/313350773.db2.gz ZYLZCCZMAVHCGE-CQSZACIVSA-N 1 0 331.376 2.565 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486964941 313353293 /nfs/dbraw/zinc/35/32/93/313353293.db2.gz IYRHRDCAAIGVHO-UHFFFAOYSA-N 1 0 331.376 2.612 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487080908 313364055 /nfs/dbraw/zinc/36/40/55/313364055.db2.gz UZGWTGIPPDOTGA-QGZVFWFLSA-N 1 0 348.447 2.509 20 5 EFBDRO CC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000487199805 313375816 /nfs/dbraw/zinc/37/58/16/313375816.db2.gz NOAGHDOYPZJPPP-UHFFFAOYSA-N 1 0 345.321 2.714 20 5 EFBDRO C[NH+]1CCC(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000487202433 313376671 /nfs/dbraw/zinc/37/66/71/313376671.db2.gz MHFOKHQFTIFUEY-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO CS[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000492262588 313928238 /nfs/dbraw/zinc/92/82/38/313928238.db2.gz XMAQMIDWXOPWSW-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492626124 314063423 /nfs/dbraw/zinc/06/34/23/314063423.db2.gz RLRRGRIFPASJRR-HYXAFXHYSA-N 1 0 333.363 2.515 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000492797562 314128819 /nfs/dbraw/zinc/12/88/19/314128819.db2.gz JGQBISKUDHZITL-LVQKAXJZSA-N 1 0 343.427 2.797 20 5 EFBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000492844369 314148665 /nfs/dbraw/zinc/14/86/65/314148665.db2.gz XROZUIPTNXLGNC-OFXRNABMSA-N 1 0 329.400 2.692 20 5 EFBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000492894313 314167555 /nfs/dbraw/zinc/16/75/55/314167555.db2.gz NJEMBOQWLJYZTQ-DOLWIXLTSA-N 1 0 347.390 2.831 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000492910620 314173692 /nfs/dbraw/zinc/17/36/92/314173692.db2.gz JLUNXOGSSFDOMX-YFHOEESVSA-N 1 0 343.427 2.942 20 5 EFBDRO Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927952 314181366 /nfs/dbraw/zinc/18/13/66/314181366.db2.gz SGGXLYNMFMZHDA-YERXGYGTSA-N 1 0 344.346 2.748 20 5 EFBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000493301133 314309416 /nfs/dbraw/zinc/30/94/16/314309416.db2.gz JHVWXEPBFSLCAH-KTKRTIGZSA-N 1 0 331.416 2.941 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000493487199 314374103 /nfs/dbraw/zinc/37/41/03/314374103.db2.gz MHTFAJDYZSOVMU-DKFQHHCZSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493683463 314443987 /nfs/dbraw/zinc/44/39/87/314443987.db2.gz CELRCFFEMUMCSU-HSBHDXMMSA-N 1 0 347.390 2.738 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493735059 314461808 /nfs/dbraw/zinc/46/18/08/314461808.db2.gz AZWHJSKHDVOXOS-XQRVVYSFSA-N 1 0 335.379 2.595 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000493799623 314484122 /nfs/dbraw/zinc/48/41/22/314484122.db2.gz YOYKROUHOVCZHU-IDGDCJPLSA-N 1 0 335.379 2.579 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000494837554 314640297 /nfs/dbraw/zinc/64/02/97/314640297.db2.gz MJSZUTGXAVBDDO-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495479705 314729182 /nfs/dbraw/zinc/72/91/82/314729182.db2.gz JAASHGRJLIHBOM-ZYHUDNBSSA-N 1 0 327.406 2.613 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000495480932 314729306 /nfs/dbraw/zinc/72/93/06/314729306.db2.gz ODOIYLNIHCAUIS-VXGBXAGGSA-N 1 0 339.367 2.690 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495866058 314857184 /nfs/dbraw/zinc/85/71/84/314857184.db2.gz MPVLYRXPTOXOGV-KSSFIOAISA-N 1 0 347.415 2.941 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507421376 315485009 /nfs/dbraw/zinc/48/50/09/315485009.db2.gz LPCVOEXQZZGOEM-MCIONIFRSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507421373 315485223 /nfs/dbraw/zinc/48/52/23/315485223.db2.gz LPCVOEXQZZGOEM-HZSPNIEDSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515115632 315593285 /nfs/dbraw/zinc/59/32/85/315593285.db2.gz ARMHUXXESXBWIG-ZIAGYGMSSA-N 1 0 333.432 2.887 20 5 EFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000515639271 315631477 /nfs/dbraw/zinc/63/14/77/315631477.db2.gz CDQOVXZBHXLQQI-QZTJIDSGSA-N 1 0 347.415 2.718 20 5 EFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000516430844 315676849 /nfs/dbraw/zinc/67/68/49/315676849.db2.gz OISQWLOHFLZUEV-UHFFFAOYSA-N 1 0 342.399 2.655 20 5 EFBDRO CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000516563583 315685980 /nfs/dbraw/zinc/68/59/80/315685980.db2.gz LWQQHCHVOKTRLL-BMGDILEWSA-N 1 0 344.415 2.626 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000516922721 315718678 /nfs/dbraw/zinc/71/86/78/315718678.db2.gz OJSMFIFHUFSRMX-UHFFFAOYSA-N 1 0 342.399 2.886 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517589227 315770882 /nfs/dbraw/zinc/77/08/82/315770882.db2.gz XQYAHBBHCFORLQ-LSDHHAIUSA-N 1 0 347.415 2.627 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1CCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000519593885 315877827 /nfs/dbraw/zinc/87/78/27/315877827.db2.gz AFJWHRUBKMYWGD-NSHDSACASA-N 1 0 327.331 2.948 20 5 EFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000521426951 316022656 /nfs/dbraw/zinc/02/26/56/316022656.db2.gz VQPRTZOZLKCPFX-SFHVURJKSA-N 1 0 344.411 2.729 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000521629697 316035763 /nfs/dbraw/zinc/03/57/63/316035763.db2.gz IYZCBWXTLJCDAC-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000522186003 316077958 /nfs/dbraw/zinc/07/79/58/316077958.db2.gz DLTVSKANJQLZLG-HNNXBMFYSA-N 1 0 349.431 2.988 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000523435788 316123295 /nfs/dbraw/zinc/12/32/95/316123295.db2.gz NQLIMCOHGYRHCB-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO C[C@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000525486705 316217732 /nfs/dbraw/zinc/21/77/32/316217732.db2.gz DPBCCKUOSPGJLS-HNNXBMFYSA-N 1 0 330.384 2.857 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000525671600 316224686 /nfs/dbraw/zinc/22/46/86/316224686.db2.gz JTPHPYGKQAEEKM-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000530355976 317113719 /nfs/dbraw/zinc/11/37/19/317113719.db2.gz ZUZAGXMEDAMPDJ-UHFFFAOYSA-N 1 0 336.436 2.858 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000530365962 317114806 /nfs/dbraw/zinc/11/48/06/317114806.db2.gz HJFSECBIONUVJY-LBPRGKRZSA-N 1 0 326.418 2.521 20 5 EFBDRO CC(C)(C)OCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000530496375 317137660 /nfs/dbraw/zinc/13/76/60/317137660.db2.gz IFKJBFAPTGCRII-UHFFFAOYSA-N 1 0 336.436 2.707 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000531068273 317215106 /nfs/dbraw/zinc/21/51/06/317215106.db2.gz SJCNUKFJPCFWGD-ZDUSSCGKSA-N 1 0 336.779 2.609 20 5 EFBDRO COc1cc(C[N@H+](C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000531104780 317220824 /nfs/dbraw/zinc/22/08/24/317220824.db2.gz APOLHKRFGQPUKF-UHFFFAOYSA-N 1 0 346.330 2.816 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCC3CCCCC3)CC2)n1 ZINC000531143669 317225599 /nfs/dbraw/zinc/22/55/99/317225599.db2.gz OLPADQMMVWWPGD-UHFFFAOYSA-N 1 0 336.436 2.853 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531200683 317234109 /nfs/dbraw/zinc/23/41/09/317234109.db2.gz PCLLKAZTALVOJH-YJBOKZPZSA-N 1 0 343.383 2.567 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000531306025 317248482 /nfs/dbraw/zinc/24/84/82/317248482.db2.gz GEEHYKXAXKNNHH-GFCCVEGCSA-N 1 0 337.763 2.874 20 5 EFBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000531382212 317258700 /nfs/dbraw/zinc/25/87/00/317258700.db2.gz HHNALPVVCHRCNP-HNNXBMFYSA-N 1 0 330.388 2.507 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531938166 317334898 /nfs/dbraw/zinc/33/48/98/317334898.db2.gz HRPOARIZTJBGBO-ZDUSSCGKSA-N 1 0 331.372 2.866 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397961 317395865 /nfs/dbraw/zinc/39/58/65/317395865.db2.gz IWEOHFOZIUQTAC-DZGCQCFKSA-N 1 0 334.420 2.620 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000532787950 317442770 /nfs/dbraw/zinc/44/27/70/317442770.db2.gz IEZIUPYJQRWCQN-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000537093956 317661546 /nfs/dbraw/zinc/66/15/46/317661546.db2.gz ILTYJFWYQJGBDZ-HEHGZKQESA-N 1 0 335.404 2.717 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538376365 317693915 /nfs/dbraw/zinc/69/39/15/317693915.db2.gz WXRSPLJUCYUKMM-WBVHZDCISA-N 1 0 336.388 2.685 20 5 EFBDRO CCC(CC)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000541577587 317781474 /nfs/dbraw/zinc/78/14/74/317781474.db2.gz DDASFBUYHIPUEG-OAHLLOKOSA-N 1 0 331.420 2.738 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCCCC1 ZINC000541980848 317800440 /nfs/dbraw/zinc/80/04/40/317800440.db2.gz IBGWKGNISRVRFQ-QGZVFWFLSA-N 1 0 349.431 2.763 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CCO)CCCC1 ZINC000543064890 317837492 /nfs/dbraw/zinc/83/74/92/317837492.db2.gz QXFRSYPQWKNXBA-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000543502338 317851512 /nfs/dbraw/zinc/85/15/12/317851512.db2.gz SXRKHGMUFJBFMR-CYBMUJFWSA-N 1 0 345.403 2.970 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC000545951644 317943307 /nfs/dbraw/zinc/94/33/07/317943307.db2.gz GXIWXLBVNMUDJW-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549698867 318180154 /nfs/dbraw/zinc/18/01/54/318180154.db2.gz KPIDSFCMXPKBRQ-WMLDXEAASA-N 1 0 330.384 2.728 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+]1CCCC1 ZINC000550737866 318196741 /nfs/dbraw/zinc/19/67/41/318196741.db2.gz RNYNQZROTUDFPD-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](n2cncn2)C1 ZINC000551084422 318201127 /nfs/dbraw/zinc/20/11/27/318201127.db2.gz ZVPPPSWEXHPYRX-COXVUDFISA-N 1 0 345.403 2.585 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099506 318242498 /nfs/dbraw/zinc/24/24/98/318242498.db2.gz LDMUZVHFTQRHEF-PBHICJAKSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000554116542 318301677 /nfs/dbraw/zinc/30/16/77/318301677.db2.gz KPINCKZXCGUDBW-ZQIUZPCESA-N 1 0 331.416 2.784 20 5 EFBDRO C[NH+](C)CCCCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554339748 318308911 /nfs/dbraw/zinc/30/89/11/318308911.db2.gz UBWTZNGYTJYOOB-UHFFFAOYSA-N 1 0 327.812 2.639 20 5 EFBDRO CSCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N(C)C ZINC000554530231 318320835 /nfs/dbraw/zinc/32/08/35/318320835.db2.gz OJSXSVTZIBEFOD-WFASDCNBSA-N 1 0 339.461 2.764 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000554720316 318334233 /nfs/dbraw/zinc/33/42/33/318334233.db2.gz MPYFCBLNPZMEOK-MRXNPFEDSA-N 1 0 330.384 2.741 20 5 EFBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560509096 318561185 /nfs/dbraw/zinc/56/11/85/318561185.db2.gz JVSHYXZZLYLYSK-CZUORRHYSA-N 1 0 348.374 2.694 20 5 EFBDRO CN(C)c1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000566108443 319033868 /nfs/dbraw/zinc/03/38/68/319033868.db2.gz AUKVTJCUZYJOFY-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000566125072 319036555 /nfs/dbraw/zinc/03/65/55/319036555.db2.gz OQJOHISTKCYNDM-BPQIPLTHSA-N 1 0 346.358 2.619 20 5 EFBDRO CC(C)(C)CC[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566234998 319050835 /nfs/dbraw/zinc/05/08/35/319050835.db2.gz VOPVMUBBENXZBP-CYBMUJFWSA-N 1 0 337.420 2.700 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000566467360 319080718 /nfs/dbraw/zinc/08/07/18/319080718.db2.gz VCWIAGUSTRRZCY-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000566500793 319084586 /nfs/dbraw/zinc/08/45/86/319084586.db2.gz QWCRABQRBIYVRR-JKSUJKDBSA-N 1 0 331.416 2.926 20 5 EFBDRO CCc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566738501 319106449 /nfs/dbraw/zinc/10/64/49/319106449.db2.gz WXOPUVWFFWAEHM-VXGBXAGGSA-N 1 0 329.404 2.574 20 5 EFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000566792480 319111104 /nfs/dbraw/zinc/11/11/04/319111104.db2.gz ZCJMFFODTBLNPD-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1nc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000566851189 319116013 /nfs/dbraw/zinc/11/60/13/319116013.db2.gz OGRBOMJZZYFTOI-UHFFFAOYSA-N 1 0 334.401 2.787 20 5 EFBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000567465769 319174516 /nfs/dbraw/zinc/17/45/16/319174516.db2.gz JNHXCKRTIAGFRO-FUHWJXTLSA-N 1 0 344.415 2.553 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000567692417 319199053 /nfs/dbraw/zinc/19/90/53/319199053.db2.gz SXHRTKAJSPLDRB-AWEZNQCLSA-N 1 0 343.383 2.981 20 5 EFBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567710596 319201643 /nfs/dbraw/zinc/20/16/43/319201643.db2.gz NOVQZUGVAAYVFF-WDEREUQCSA-N 1 0 336.310 2.655 20 5 EFBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567710593 319201684 /nfs/dbraw/zinc/20/16/84/319201684.db2.gz NOVQZUGVAAYVFF-GHMZBOCLSA-N 1 0 336.310 2.655 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905254 319224407 /nfs/dbraw/zinc/22/44/07/319224407.db2.gz NRIUUDKGPQOAKM-ONGXEEELSA-N 1 0 346.330 2.514 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000568500189 319289782 /nfs/dbraw/zinc/28/97/82/319289782.db2.gz OJRAXNWPINQKCZ-CQSZACIVSA-N 1 0 331.416 2.816 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000568500529 319289943 /nfs/dbraw/zinc/28/99/43/319289943.db2.gz WYCMMIIPZPOHBX-UHFFFAOYSA-N 1 0 341.433 2.573 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCC(F)(F)CC1 ZINC000568502835 319290056 /nfs/dbraw/zinc/29/00/56/319290056.db2.gz FLJNSWNUBQDGFI-ZDUSSCGKSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000568533551 319293922 /nfs/dbraw/zinc/29/39/22/319293922.db2.gz SZDRHSADAPJILX-MRXNPFEDSA-N 1 0 346.408 2.646 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000568632855 319303533 /nfs/dbraw/zinc/30/35/33/319303533.db2.gz KHGJMTPSFJHRSJ-CQSZACIVSA-N 1 0 343.383 2.997 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000568780305 319318747 /nfs/dbraw/zinc/31/87/47/319318747.db2.gz WIKLXTFATWPLRJ-QAPCUYQASA-N 1 0 347.459 2.919 20 5 EFBDRO CC(C)N1CCO[C@@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916446 319330169 /nfs/dbraw/zinc/33/01/69/319330169.db2.gz KMDZKKFAWFCFPC-SWLSCSKDSA-N 1 0 346.387 2.911 20 5 EFBDRO CC(C)N1CCO[C@H](c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916447 319330300 /nfs/dbraw/zinc/33/03/00/319330300.db2.gz KMDZKKFAWFCFPC-WFASDCNBSA-N 1 0 346.387 2.911 20 5 EFBDRO Cc1cccnc1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568990644 319338243 /nfs/dbraw/zinc/33/82/43/319338243.db2.gz FQDWNLXUODRBTB-UHFFFAOYSA-N 1 0 342.399 2.849 20 5 EFBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000569110009 319349486 /nfs/dbraw/zinc/34/94/86/319349486.db2.gz CLQCDYFULDMLQB-CJNGLKHVSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000569110010 319349499 /nfs/dbraw/zinc/34/94/99/319349499.db2.gz CLQCDYFULDMLQB-CZUORRHYSA-N 1 0 335.404 2.717 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000570521196 319485465 /nfs/dbraw/zinc/48/54/65/319485465.db2.gz IIWNCOYPMFOVHK-GUYCJALGSA-N 1 0 343.427 2.516 20 5 EFBDRO CNc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000572871183 319712847 /nfs/dbraw/zinc/71/28/47/319712847.db2.gz JYAQTTVFQIGURR-UHFFFAOYSA-N 1 0 348.447 2.829 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000573844805 319804367 /nfs/dbraw/zinc/80/43/67/319804367.db2.gz LQJZGWGRVFHAAG-HIFRSBDPSA-N 1 0 333.432 2.905 20 5 EFBDRO COCC1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000573954020 319815391 /nfs/dbraw/zinc/81/53/91/319815391.db2.gz JZQFWICBBCKEFK-UHFFFAOYSA-N 1 0 335.404 2.720 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000574795462 319895394 /nfs/dbraw/zinc/89/53/94/319895394.db2.gz LKQUZFZWXRKGGA-HUUCEWRRSA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575116682 319926443 /nfs/dbraw/zinc/92/64/43/319926443.db2.gz JAPIZODFVAOGDJ-ZDUSSCGKSA-N 1 0 343.383 2.850 20 5 EFBDRO C[NH+](C)Cc1ccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000575175181 319931874 /nfs/dbraw/zinc/93/18/74/319931874.db2.gz JWQJKSZFFOUHKT-INIZCTEOSA-N 1 0 345.399 2.508 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575401325 319943905 /nfs/dbraw/zinc/94/39/05/319943905.db2.gz SPGOXEICFWBXIP-YUMQZZPRSA-N 1 0 334.298 2.861 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000575752909 319950843 /nfs/dbraw/zinc/95/08/43/319950843.db2.gz QLXIWPCCAQWXIV-KBXCAEBGSA-N 1 0 334.416 2.989 20 5 EFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000576332403 320006373 /nfs/dbraw/zinc/00/63/73/320006373.db2.gz VCXWJOHXDSIDBY-CJNGLKHVSA-N 1 0 339.823 2.971 20 5 EFBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000576665101 320036949 /nfs/dbraw/zinc/03/69/49/320036949.db2.gz MJWWUPCEEYZUTJ-CQSZACIVSA-N 1 0 334.347 2.572 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576815655 320051222 /nfs/dbraw/zinc/05/12/22/320051222.db2.gz FVEOGYLTTIOPMG-BXKDBHETSA-N 1 0 345.321 2.956 20 5 EFBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577017469 320069615 /nfs/dbraw/zinc/06/96/15/320069615.db2.gz KCQLJZVNKDPJAD-DZGCQCFKSA-N 1 0 334.372 2.538 20 5 EFBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577017474 320069684 /nfs/dbraw/zinc/06/96/84/320069684.db2.gz KCQLJZVNKDPJAD-ZFWWWQNUSA-N 1 0 334.372 2.538 20 5 EFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000577370437 320104510 /nfs/dbraw/zinc/10/45/10/320104510.db2.gz DXWASASJPMQHMZ-DOMZBBRYSA-N 1 0 325.796 2.581 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244933 320188224 /nfs/dbraw/zinc/18/82/24/320188224.db2.gz VIBWQTCXDLIHIC-GXSJLCMTSA-N 1 0 345.346 2.516 20 5 EFBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578277249 320190565 /nfs/dbraw/zinc/19/05/65/320190565.db2.gz UZXJADDTSLBIRK-RDJZCZTQSA-N 1 0 344.411 2.864 20 5 EFBDRO Cc1cscc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578436325 320205926 /nfs/dbraw/zinc/20/59/26/320205926.db2.gz MIQOKRXUWVYINB-UHFFFAOYSA-N 1 0 340.426 2.528 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000578668644 320228396 /nfs/dbraw/zinc/22/83/96/320228396.db2.gz JUXYMKAQAUKAAI-UHOSZYNNSA-N 1 0 345.443 2.550 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000578764524 320237937 /nfs/dbraw/zinc/23/79/37/320237937.db2.gz LNZASAOQCGMINM-QWHCGFSZSA-N 1 0 337.807 2.865 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000181352673 323232705 /nfs/dbraw/zinc/23/27/05/323232705.db2.gz ZWRBTZKXKYPBSP-CYBMUJFWSA-N 1 0 337.445 2.919 20 5 EFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000181844292 323253051 /nfs/dbraw/zinc/25/30/51/323253051.db2.gz MRFBITYODCYOJA-GJZGRUSLSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@H](C)C[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181947788 323256696 /nfs/dbraw/zinc/25/66/96/323256696.db2.gz ADKVUSSOFMNPOO-ZDUSSCGKSA-N 1 0 328.434 2.737 20 5 EFBDRO C[C@H](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182257980 323272751 /nfs/dbraw/zinc/27/27/51/323272751.db2.gz NJEIAUNVRUCODY-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000182251023 323272805 /nfs/dbraw/zinc/27/28/05/323272805.db2.gz XPKOZHXVEQHYQP-TZMCWYRMSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000182287725 323274775 /nfs/dbraw/zinc/27/47/75/323274775.db2.gz QOVKZCGCWHGDHX-KBPBESRZSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000182336591 323278040 /nfs/dbraw/zinc/27/80/40/323278040.db2.gz YMAIZHUKCSECER-GOEBONIOSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182367221 323279826 /nfs/dbraw/zinc/27/98/26/323279826.db2.gz JBXSDEGMBBMWMN-RISCZKNCSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182519235 323287074 /nfs/dbraw/zinc/28/70/74/323287074.db2.gz ZLNYUYOJLIITOT-KBPBESRZSA-N 1 0 349.387 2.680 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184923690 323378050 /nfs/dbraw/zinc/37/80/50/323378050.db2.gz ZLSGLFHMKIBZJB-STQMWFEESA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185193990 323385934 /nfs/dbraw/zinc/38/59/34/323385934.db2.gz KZNLTQULDJBHSO-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897693 323400169 /nfs/dbraw/zinc/40/01/69/323400169.db2.gz UJRNBEBKCBEHSO-BZNIZROVSA-N 1 0 347.802 2.995 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000386143263 323759631 /nfs/dbraw/zinc/75/96/31/323759631.db2.gz RHWLCUKJXXGKLI-ZDUSSCGKSA-N 1 0 343.221 2.998 20 5 EFBDRO COCc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000579686769 324011751 /nfs/dbraw/zinc/01/17/51/324011751.db2.gz MZIHYZPVQNIROE-UHFFFAOYSA-N 1 0 343.383 2.860 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000580222077 324123668 /nfs/dbraw/zinc/12/36/68/324123668.db2.gz BEZDPXZRPKHFPT-KKUMJFAQSA-N 1 0 334.416 2.845 20 5 EFBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000580435076 324163112 /nfs/dbraw/zinc/16/31/12/324163112.db2.gz MMQUDSAAUKZOIS-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO CC[C@@H]1CCCCN1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580553837 324186507 /nfs/dbraw/zinc/18/65/07/324186507.db2.gz HMRHQBMCLPJDMM-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO CCc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581007377 324285917 /nfs/dbraw/zinc/28/59/17/324285917.db2.gz NMRDRWDAOMMUMN-INIZCTEOSA-N 1 0 330.384 2.687 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000581200508 324327440 /nfs/dbraw/zinc/32/74/40/324327440.db2.gz QTNHRLDZGWNOFK-PBHICJAKSA-N 1 0 330.359 2.914 20 5 EFBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000581381062 324365688 /nfs/dbraw/zinc/36/56/88/324365688.db2.gz OIOIOZBMKLFCCS-UHFFFAOYSA-N 1 0 340.420 2.976 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000581462527 324381984 /nfs/dbraw/zinc/38/19/84/324381984.db2.gz IRQVPSCYUBTHGZ-GDBMZVCRSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582354738 324575045 /nfs/dbraw/zinc/57/50/45/324575045.db2.gz FAEXAINHTONHSH-BBRMVZONSA-N 1 0 327.384 2.732 20 5 EFBDRO C[C@H](NC(=O)C[C@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582354741 324575094 /nfs/dbraw/zinc/57/50/94/324575094.db2.gz FAEXAINHTONHSH-XJKSGUPXSA-N 1 0 327.384 2.732 20 5 EFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000583053073 324726863 /nfs/dbraw/zinc/72/68/63/324726863.db2.gz UYJYJVOXGFSBEL-UHFFFAOYSA-N 1 0 343.387 2.847 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000491827358 468365082 /nfs/dbraw/zinc/36/50/82/468365082.db2.gz GHHLBJUNLVMYRU-UTCJRWHESA-N 1 0 335.323 2.827 20 5 EFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000081529549 473216083 /nfs/dbraw/zinc/21/60/83/473216083.db2.gz JDDDNENHMHVRPR-ZDUSSCGKSA-N 1 0 338.407 2.760 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081571312 473223246 /nfs/dbraw/zinc/22/32/46/473223246.db2.gz BOOBVJCQCORZQI-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000124263510 473224378 /nfs/dbraw/zinc/22/43/78/473224378.db2.gz VDTZTLVXQBYMCT-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000161340036 473227790 /nfs/dbraw/zinc/22/77/90/473227790.db2.gz IFKMYKGPTYZWPJ-UWVGGRQHSA-N 1 0 331.294 2.613 20 5 EFBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000161390214 473232278 /nfs/dbraw/zinc/23/22/78/473232278.db2.gz RDLLTYWMJABVSG-GFCCVEGCSA-N 1 0 346.774 2.652 20 5 EFBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000095965557 473232689 /nfs/dbraw/zinc/23/26/89/473232689.db2.gz OHLRARAZESRZDZ-SUMWQHHRSA-N 1 0 327.384 2.889 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139504187 473232974 /nfs/dbraw/zinc/23/29/74/473232974.db2.gz DVCCZRYHFACNTN-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632488 473236096 /nfs/dbraw/zinc/23/60/96/473236096.db2.gz BANPJWNSRQWCOJ-HNNXBMFYSA-N 1 0 333.432 2.767 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139704462 473237137 /nfs/dbraw/zinc/23/71/37/473237137.db2.gz SNMZWONTKRDDFG-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000124374905 473238243 /nfs/dbraw/zinc/23/82/43/473238243.db2.gz NRDBHNZNBIWWQK-ZDUSSCGKSA-N 1 0 337.395 2.832 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112080966 473241275 /nfs/dbraw/zinc/24/12/75/473241275.db2.gz YSWCYSJSBQMMEE-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074315 473241866 /nfs/dbraw/zinc/24/18/66/473241866.db2.gz XFIMBSFFRMABIP-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177652903 473412047 /nfs/dbraw/zinc/41/20/47/473412047.db2.gz FPFASFLYNIVEFM-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H](C)C1 ZINC000190403151 473261685 /nfs/dbraw/zinc/26/16/85/473261685.db2.gz FPEHWUJGZHGGLF-LBPRGKRZSA-N 1 0 337.445 2.917 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000081941351 473276353 /nfs/dbraw/zinc/27/63/53/473276353.db2.gz GUZWNNRFQLMBRR-VXGBXAGGSA-N 1 0 341.209 2.791 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000487651208 468048217 /nfs/dbraw/zinc/04/82/17/468048217.db2.gz XUQQAMQJLWILQP-OCCSQVGLSA-N 1 0 331.376 2.930 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCSC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190471448 473284585 /nfs/dbraw/zinc/28/45/85/473284585.db2.gz OVORPTYHWXKGGA-GFCCVEGCSA-N 1 0 337.445 2.917 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000144439448 473285007 /nfs/dbraw/zinc/28/50/07/473285007.db2.gz BJHQMRGBBKTNIN-ZDUSSCGKSA-N 1 0 331.416 2.859 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000190471469 473285683 /nfs/dbraw/zinc/28/56/83/473285683.db2.gz OVORPTYHWXKGGA-LBPRGKRZSA-N 1 0 337.445 2.917 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000124695263 473286997 /nfs/dbraw/zinc/28/69/97/473286997.db2.gz MNVKTDKLTDHCTI-CYBMUJFWSA-N 1 0 335.408 2.623 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000124697119 473287932 /nfs/dbraw/zinc/28/79/32/473287932.db2.gz KNRKQIGCIRMSNZ-HNNXBMFYSA-N 1 0 343.387 2.723 20 5 EFBDRO COCC[N@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171128235 473294362 /nfs/dbraw/zinc/29/43/62/473294362.db2.gz NRGJGIXLWVTCCF-UHFFFAOYSA-N 1 0 337.423 2.696 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000619718039 479865480 /nfs/dbraw/zinc/86/54/80/479865480.db2.gz PXASSAYNHIZQJO-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185034379 473307193 /nfs/dbraw/zinc/30/71/93/473307193.db2.gz VXEFAFFUGJPMTN-LBPRGKRZSA-N 1 0 349.406 2.828 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000147304886 473307458 /nfs/dbraw/zinc/30/74/58/473307458.db2.gz VNPKXXCRDBUUQF-KRWDZBQOSA-N 1 0 339.395 2.908 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000171171071 473310028 /nfs/dbraw/zinc/31/00/28/473310028.db2.gz ZJKBUPKQRRYLBK-AWEZNQCLSA-N 1 0 348.447 2.905 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177134499 473312923 /nfs/dbraw/zinc/31/29/23/473312923.db2.gz OWEORFDEALYLPJ-ZYHUDNBSSA-N 1 0 335.429 2.672 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177157920 473319429 /nfs/dbraw/zinc/31/94/29/473319429.db2.gz LKVKSELOUUDFHN-YNEHKIRRSA-N 1 0 349.456 2.817 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000171201877 473319844 /nfs/dbraw/zinc/31/98/44/473319844.db2.gz INUHJTKCBHZAAV-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[NH+](CC)CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000083093294 473321196 /nfs/dbraw/zinc/32/11/96/473321196.db2.gz VYUSVEZTCZIKCH-HNNXBMFYSA-N 1 0 337.445 2.775 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162259393 473322453 /nfs/dbraw/zinc/32/24/53/473322453.db2.gz NUWRHZSXVPYYMR-GXFFZTMASA-N 1 0 343.811 2.572 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177186986 473326984 /nfs/dbraw/zinc/32/69/84/473326984.db2.gz RUIXTKNUMMHSMQ-DZGCQCFKSA-N 1 0 335.429 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C[NH+]3CCCC3)nc2c1 ZINC000083170845 473327393 /nfs/dbraw/zinc/32/73/93/473327393.db2.gz STRJWIGPQALITF-AWEZNQCLSA-N 1 0 330.388 2.796 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177206211 473331456 /nfs/dbraw/zinc/33/14/56/473331456.db2.gz QQBPUMHFFXVEBA-HIFRSBDPSA-N 1 0 346.431 2.528 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918858 473331926 /nfs/dbraw/zinc/33/19/26/473331926.db2.gz KAAGFAAGUUGFNL-VMPITWQZSA-N 1 0 343.427 2.942 20 5 EFBDRO COC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112986251 473339288 /nfs/dbraw/zinc/33/92/88/473339288.db2.gz HURSVXXHEPFGGX-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@H](O)[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162457242 473341165 /nfs/dbraw/zinc/34/11/65/473341165.db2.gz NTBATFMGYDKNMV-VHSXEESVSA-N 1 0 329.194 2.560 20 5 EFBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000112996559 473345061 /nfs/dbraw/zinc/34/50/61/473345061.db2.gz QVHDRWGTOSEIOJ-QGZVFWFLSA-N 1 0 346.383 2.777 20 5 EFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000162489682 473346175 /nfs/dbraw/zinc/34/61/75/473346175.db2.gz ZEMMVDMQMWNEHF-HNNXBMFYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000150749726 473347034 /nfs/dbraw/zinc/34/70/34/473347034.db2.gz IFPMAGOMPJKSTJ-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO COC1CC[NH+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616060820 469360322 /nfs/dbraw/zinc/36/03/22/469360322.db2.gz WDSARERMZNJYBQ-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC1(O)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000177302826 473350410 /nfs/dbraw/zinc/35/04/10/473350410.db2.gz VJOPESDCLVROKU-UHFFFAOYSA-N 1 0 331.372 2.639 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185170817 473350716 /nfs/dbraw/zinc/35/07/16/473350716.db2.gz FEWKSDJUTQJXHE-GXTWGEPZSA-N 1 0 335.379 2.534 20 5 EFBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185213790 473363667 /nfs/dbraw/zinc/36/36/67/473363667.db2.gz IBQJYIATBFNADK-UHFFFAOYSA-N 1 0 334.825 2.553 20 5 EFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000177433126 473376235 /nfs/dbraw/zinc/37/62/35/473376235.db2.gz GFXLNUXKFJAORU-UHFFFAOYSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000162754763 473379173 /nfs/dbraw/zinc/37/91/73/473379173.db2.gz UYHWTBQCLMDLAC-OCCSQVGLSA-N 1 0 331.372 2.807 20 5 EFBDRO C[N@H+](CCn1cccn1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000125264043 473384996 /nfs/dbraw/zinc/38/49/96/473384996.db2.gz RGSAZILMNORWQR-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162835929 473387692 /nfs/dbraw/zinc/38/76/92/473387692.db2.gz PFCBDMULHMEJNF-LBPRGKRZSA-N 1 0 343.811 2.651 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162846362 473390743 /nfs/dbraw/zinc/39/07/43/473390743.db2.gz BTQKMWNYYXCEKA-QLFBSQMISA-N 1 0 347.459 2.928 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000312031667 474845819 /nfs/dbraw/zinc/84/58/19/474845819.db2.gz XXPBPZGCKHAKHE-VIFPVBQESA-N 1 0 331.214 2.893 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000616347364 479886069 /nfs/dbraw/zinc/88/60/69/479886069.db2.gz FFZMQBFNCRRPME-AWEZNQCLSA-N 1 0 335.404 2.516 20 5 EFBDRO CO[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000338545722 475999921 /nfs/dbraw/zinc/99/99/21/475999921.db2.gz IXMFQDVAKXYRSU-RDJZCZTQSA-N 1 0 342.399 2.864 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452043981 476792055 /nfs/dbraw/zinc/79/20/55/476792055.db2.gz VLXNKAANPMIHJP-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480073 478810330 /nfs/dbraw/zinc/81/03/30/478810330.db2.gz IEDLDUDTQDKNTR-JSGCOSHPSA-N 1 0 334.420 2.828 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4nccnc4c3)CC2)n1 ZINC000602637982 479440786 /nfs/dbraw/zinc/44/07/86/479440786.db2.gz PTIMOAYJGLSKAN-UHFFFAOYSA-N 1 0 338.371 2.572 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602643877 479444499 /nfs/dbraw/zinc/44/44/99/479444499.db2.gz NUVFXZLXQVPSJV-HNNXBMFYSA-N 1 0 332.404 2.946 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000619903064 479917405 /nfs/dbraw/zinc/91/74/05/479917405.db2.gz UPFKEWBEHYNZHW-HNNXBMFYSA-N 1 0 349.434 2.895 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007385877 471611281 /nfs/dbraw/zinc/61/12/81/471611281.db2.gz KVCWCUXWNZVGKM-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010017892 471725771 /nfs/dbraw/zinc/72/57/71/471725771.db2.gz WZKLTJFGZBITMP-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010018644 471725901 /nfs/dbraw/zinc/72/59/01/471725901.db2.gz GZTJQFIQRJJVPH-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014528219 471873680 /nfs/dbraw/zinc/87/36/80/471873680.db2.gz AUHOUKGETPEIGG-UHFFFAOYSA-N 1 0 344.415 2.526 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000016444653 471937255 /nfs/dbraw/zinc/93/72/55/471937255.db2.gz DTEWIWLFKRGZRZ-MRXNPFEDSA-N 1 0 325.368 2.599 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599425 471942919 /nfs/dbraw/zinc/94/29/19/471942919.db2.gz OJNSMUKOUHGJPS-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000018180508 471971536 /nfs/dbraw/zinc/97/15/36/471971536.db2.gz YEAINNJVKJQAAP-INIZCTEOSA-N 1 0 340.383 2.991 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000022138027 472010309 /nfs/dbraw/zinc/01/03/09/472010309.db2.gz XUJCJHCWJQNJIV-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550039 472018606 /nfs/dbraw/zinc/01/86/06/472018606.db2.gz PGVJUMUDITVPIT-CQSZACIVSA-N 1 0 348.428 2.731 20 5 EFBDRO CC[NH+](CC)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000022704490 472018804 /nfs/dbraw/zinc/01/88/04/472018804.db2.gz QPDKDUNOFVKWAT-GFCCVEGCSA-N 1 0 325.434 2.533 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053561243 472019451 /nfs/dbraw/zinc/01/94/51/472019451.db2.gz MUKRJTCTJPSUMT-KRWDZBQOSA-N 1 0 348.447 2.877 20 5 EFBDRO CNC(=O)c1ccc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053572171 472020218 /nfs/dbraw/zinc/02/02/18/472020218.db2.gz OAHBAEPWQCZXCF-KBPBESRZSA-N 1 0 348.447 2.734 20 5 EFBDRO CNC(=O)c1ccc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053571999 472020718 /nfs/dbraw/zinc/02/07/18/472020718.db2.gz SWABSTIHPQDJGY-CQSZACIVSA-N 1 0 348.447 2.878 20 5 EFBDRO CC[NH+](CC)CC1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000053572672 472020764 /nfs/dbraw/zinc/02/07/64/472020764.db2.gz OCXHKKIBESQTDR-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000053751071 472034402 /nfs/dbraw/zinc/03/44/02/472034402.db2.gz OMTJBNQEOYYOBS-UHFFFAOYSA-N 1 0 328.372 2.848 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000054059854 472055311 /nfs/dbraw/zinc/05/53/11/472055311.db2.gz WXYOXAPWEXSTKT-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054130684 472060029 /nfs/dbraw/zinc/06/00/29/472060029.db2.gz JHMZSHUDJWPAFA-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054286728 472073355 /nfs/dbraw/zinc/07/33/55/472073355.db2.gz UUXUFNVKVBGFKW-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054287803 472073966 /nfs/dbraw/zinc/07/39/66/472073966.db2.gz KKROCFYWNWAYHN-GFCCVEGCSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000067724766 472079074 /nfs/dbraw/zinc/07/90/74/472079074.db2.gz DZBCVDRMUOIHDV-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000067725179 472079259 /nfs/dbraw/zinc/07/92/59/472079259.db2.gz KDSJKBMLLXEJAP-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000067725686 472079916 /nfs/dbraw/zinc/07/99/16/472079916.db2.gz ZOYJFLWPFKSQQZ-KBPBESRZSA-N 1 0 334.420 2.657 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000025259864 472087500 /nfs/dbraw/zinc/08/75/00/472087500.db2.gz LXJMJBGHWNZUHQ-SFHVURJKSA-N 1 0 342.395 2.999 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000067796732 472090277 /nfs/dbraw/zinc/09/02/77/472090277.db2.gz RAARFSOKQJAWGZ-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000067806625 472091367 /nfs/dbraw/zinc/09/13/67/472091367.db2.gz ULZMMYUERSUDCY-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000054511139 472093722 /nfs/dbraw/zinc/09/37/22/472093722.db2.gz FBDWPODDJCRSMA-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO C[N@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054777782 472115452 /nfs/dbraw/zinc/11/54/52/472115452.db2.gz XOTLAJUYWLPIFS-UHFFFAOYSA-N 1 0 342.399 2.526 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000026304434 472130396 /nfs/dbraw/zinc/13/03/96/472130396.db2.gz HXVCYGDUFBGUTF-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000026711787 472145328 /nfs/dbraw/zinc/14/53/28/472145328.db2.gz WMARJBBVXZRIAH-GFCCVEGCSA-N 1 0 349.456 2.818 20 5 EFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712818 472145879 /nfs/dbraw/zinc/14/58/79/472145879.db2.gz LEOOWEJTNCJAMF-MRXNPFEDSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000068281280 472161847 /nfs/dbraw/zinc/16/18/47/472161847.db2.gz VWVQEIRSSAZXLQ-UHFFFAOYSA-N 1 0 335.404 2.962 20 5 EFBDRO CNc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027412663 472177106 /nfs/dbraw/zinc/17/71/06/472177106.db2.gz ZBKZOMMEALHRLD-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000027592148 472186516 /nfs/dbraw/zinc/18/65/16/472186516.db2.gz TXQLRMZOIQIOPF-LBPRGKRZSA-N 1 0 337.376 2.828 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677480 472190214 /nfs/dbraw/zinc/19/02/14/472190214.db2.gz OLNPCOGBASGZEL-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000027757643 472193821 /nfs/dbraw/zinc/19/38/21/472193821.db2.gz TXENMHHVBBEUBJ-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027744857 472194246 /nfs/dbraw/zinc/19/42/46/472194246.db2.gz CWBWONWFJROXSX-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)cc1 ZINC000068455387 472194380 /nfs/dbraw/zinc/19/43/80/472194380.db2.gz JQKXBOPLEXPCIL-UHFFFAOYSA-N 1 0 343.431 2.784 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000043342457 472225072 /nfs/dbraw/zinc/22/50/72/472225072.db2.gz FHQSBBNXQQNLSV-UHFFFAOYSA-N 1 0 338.795 2.997 20 5 EFBDRO Cc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000043347220 472226524 /nfs/dbraw/zinc/22/65/24/472226524.db2.gz KUNQPISPJOIJEG-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000055719003 472228429 /nfs/dbraw/zinc/22/84/29/472228429.db2.gz PPBOCVKGAIBFSJ-MRXNPFEDSA-N 1 0 333.432 2.962 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000055719002 472228835 /nfs/dbraw/zinc/22/88/35/472228835.db2.gz PPBOCVKGAIBFSJ-INIZCTEOSA-N 1 0 333.432 2.962 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000068777599 472240621 /nfs/dbraw/zinc/24/06/21/472240621.db2.gz OLXXLYDQVXLOKG-FNORWQNLSA-N 1 0 335.379 2.690 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799017 472245650 /nfs/dbraw/zinc/24/56/50/472245650.db2.gz CTUWQFMKXQDURX-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000029093554 472249855 /nfs/dbraw/zinc/24/98/55/472249855.db2.gz JCAQPEPNLXMJFG-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076059662 472255791 /nfs/dbraw/zinc/25/57/91/472255791.db2.gz BSAPRUNKRHYGGB-HNNXBMFYSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000055927496 472259422 /nfs/dbraw/zinc/25/94/22/472259422.db2.gz LROXZVGWUIQLHU-SJLPKXTDSA-N 1 0 334.416 2.989 20 5 EFBDRO CN(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000085820369 472268523 /nfs/dbraw/zinc/26/85/23/472268523.db2.gz TZCFZXKFZZFFSE-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CCCNC(=O)C1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000085863458 472270218 /nfs/dbraw/zinc/27/02/18/472270218.db2.gz OTTHXZGOGDDGIA-UHFFFAOYSA-N 1 0 349.431 2.922 20 5 EFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000029371884 472270836 /nfs/dbraw/zinc/27/08/36/472270836.db2.gz YRJQNGLRTAGTMT-UHFFFAOYSA-N 1 0 349.456 2.686 20 5 EFBDRO CC(C)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000029724254 472291818 /nfs/dbraw/zinc/29/18/18/472291818.db2.gz RFJVMCVPYGAQQW-UHFFFAOYSA-N 1 0 337.376 2.628 20 5 EFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1csc([N+](=O)[O-])c1 ZINC000044490680 472311396 /nfs/dbraw/zinc/31/13/96/472311396.db2.gz ABHHNZRRDLLANV-UHFFFAOYSA-N 1 0 345.424 2.835 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087204401 472315141 /nfs/dbraw/zinc/31/51/41/472315141.db2.gz ZFVXXQFUTBZDHK-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000616786202 479977077 /nfs/dbraw/zinc/97/70/77/479977077.db2.gz ONPSDSPFQFFPBF-UHFFFAOYSA-N 1 0 330.388 2.877 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000056459446 472324243 /nfs/dbraw/zinc/32/42/43/472324243.db2.gz DWUSTYBAUVFKFE-OAHLLOKOSA-N 1 0 348.428 2.758 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087337609 472327481 /nfs/dbraw/zinc/32/74/81/472327481.db2.gz AAENNEDNTFAYJA-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[NH+](C)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088251932 472352240 /nfs/dbraw/zinc/35/22/40/472352240.db2.gz BNUDHFYVKRGHIK-UHFFFAOYSA-N 1 0 339.395 2.855 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076485696 472354723 /nfs/dbraw/zinc/35/47/23/472354723.db2.gz SQPUMONKFBORHP-MVHLYKQMSA-N 1 0 331.416 2.797 20 5 EFBDRO COCC(C)(C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000076495266 472356902 /nfs/dbraw/zinc/35/69/02/472356902.db2.gz ZUUMRFCTEKCRFN-UHFFFAOYSA-N 1 0 334.319 2.719 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000045083726 472371703 /nfs/dbraw/zinc/37/17/03/472371703.db2.gz GCEPGUWREYCNFW-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000057000651 472371985 /nfs/dbraw/zinc/37/19/85/472371985.db2.gz KPFNCLKGKBOBFE-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607761 472377606 /nfs/dbraw/zinc/37/76/06/472377606.db2.gz GBUUJYQSXWZUIH-HOTGVXAUSA-N 1 0 346.431 2.535 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc(C3CC[NH2+]CC3)n2C)c1 ZINC000088724007 472380824 /nfs/dbraw/zinc/38/08/24/472380824.db2.gz LFLJWCDOUBCRMR-UHFFFAOYSA-N 1 0 333.417 2.650 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000088716894 472381080 /nfs/dbraw/zinc/38/10/80/472381080.db2.gz ABQUUMSZDPIQKW-IAGOWNOFSA-N 1 0 346.475 2.898 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000088716443 472381348 /nfs/dbraw/zinc/38/13/48/472381348.db2.gz DMIUFBYGPMKIQL-UHFFFAOYSA-N 1 0 333.432 2.842 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000076664347 472382142 /nfs/dbraw/zinc/38/21/42/472382142.db2.gz VBAKKPWHODRAPR-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057156311 472387759 /nfs/dbraw/zinc/38/77/59/472387759.db2.gz AZIGITKAZIFAFV-CQSZACIVSA-N 1 0 337.420 2.600 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000154194584 472400497 /nfs/dbraw/zinc/40/04/97/472400497.db2.gz CBUXTMMKQIJFFQ-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154221229 472405314 /nfs/dbraw/zinc/40/53/14/472405314.db2.gz LSHHAGOCOHSIQB-AWEZNQCLSA-N 1 0 337.395 2.974 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116425197 472405463 /nfs/dbraw/zinc/40/54/63/472405463.db2.gz YXYGYCQTGOIZCG-OAHLLOKOSA-N 1 0 336.436 2.760 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000154236747 472405689 /nfs/dbraw/zinc/40/56/89/472405689.db2.gz WPJIFUKSXAUGON-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000045527865 472420952 /nfs/dbraw/zinc/42/09/52/472420952.db2.gz RBKQVMFYUJETOS-QGZVFWFLSA-N 1 0 339.395 2.908 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000076925286 472425183 /nfs/dbraw/zinc/42/51/83/472425183.db2.gz LHXDWIMFGVGHTD-ZDUSSCGKSA-N 1 0 333.413 2.880 20 5 EFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000097082869 472436207 /nfs/dbraw/zinc/43/62/07/472436207.db2.gz IOAVQWGANKJWFZ-IUODEOHRSA-N 1 0 337.807 2.739 20 5 EFBDRO CC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000097083835 472438044 /nfs/dbraw/zinc/43/80/44/472438044.db2.gz RFPQVQLTASRUJJ-CQSZACIVSA-N 1 0 342.399 2.804 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000128349678 472439596 /nfs/dbraw/zinc/43/95/96/472439596.db2.gz GNFHOSHNSPEQQE-UHFFFAOYSA-N 1 0 347.396 2.989 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000069816824 472442295 /nfs/dbraw/zinc/44/22/95/472442295.db2.gz ZPYWTMRZRIIGEE-IAGOWNOFSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCO1 ZINC000128414654 472447385 /nfs/dbraw/zinc/44/73/85/472447385.db2.gz RLTIQBKVMCIVBS-CYBMUJFWSA-N 1 0 339.367 2.563 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069857604 472452925 /nfs/dbraw/zinc/45/29/25/472452925.db2.gz JLWIXUJBZFQBPH-HZPDHXFCSA-N 1 0 333.432 2.700 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000032732347 472458811 /nfs/dbraw/zinc/45/88/11/472458811.db2.gz NBGCCBYNIVOBEB-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580832 472461448 /nfs/dbraw/zinc/46/14/48/472461448.db2.gz MHRCVWVSAXIHJF-INIZCTEOSA-N 1 0 330.384 2.821 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000128573902 472470390 /nfs/dbraw/zinc/47/03/90/472470390.db2.gz AFADNNFPJUZEPI-QGZVFWFLSA-N 1 0 327.384 2.952 20 5 EFBDRO CCCC[N@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128602116 472473125 /nfs/dbraw/zinc/47/31/25/472473125.db2.gz HEUCNPHEAZUFMD-UHFFFAOYSA-N 1 0 341.383 2.811 20 5 EFBDRO Cc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089643938 472475759 /nfs/dbraw/zinc/47/57/59/472475759.db2.gz WBTOLJKUSYJWFF-ROUUACIJSA-N 1 0 341.411 2.951 20 5 EFBDRO O=C(CC[N@@H+]1CCOc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000077233934 472483629 /nfs/dbraw/zinc/48/36/29/472483629.db2.gz BXZOEEDCTIZRNS-UHFFFAOYSA-N 1 0 341.367 2.818 20 5 EFBDRO COc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000033006437 472488794 /nfs/dbraw/zinc/48/87/94/472488794.db2.gz OBUJYYMPOAQSHE-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000057920725 472492277 /nfs/dbraw/zinc/49/22/77/472492277.db2.gz DWABTYFQRRSTIF-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000089728823 472493749 /nfs/dbraw/zinc/49/37/49/472493749.db2.gz JWCRBBQGGZKKEV-OCCSQVGLSA-N 1 0 335.404 2.653 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000089728817 472494117 /nfs/dbraw/zinc/49/41/17/472494117.db2.gz QTGBCRYFEMSVIJ-OIISXLGYSA-N 1 0 345.443 2.905 20 5 EFBDRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000089728818 472494128 /nfs/dbraw/zinc/49/41/28/472494128.db2.gz QTGBCRYFEMSVIJ-DJIMGWMZSA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033093094 472496000 /nfs/dbraw/zinc/49/60/00/472496000.db2.gz LLYLOJBBZFIRAC-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037318 472500867 /nfs/dbraw/zinc/50/08/67/472500867.db2.gz AOBJSZJIYLUQIO-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000058140511 472508135 /nfs/dbraw/zinc/50/81/35/472508135.db2.gz SRKJWLYVDKEPOH-UHFFFAOYSA-N 1 0 346.387 2.969 20 5 EFBDRO C[C@@H]1COC[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000077364784 472513906 /nfs/dbraw/zinc/51/39/06/472513906.db2.gz REHQPKCNNXYCNC-BETUJISGSA-N 1 0 331.372 2.902 20 5 EFBDRO C[C@H]1COC[C@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000077364787 472514000 /nfs/dbraw/zinc/51/40/00/472514000.db2.gz REHQPKCNNXYCNC-STQMWFEESA-N 1 0 331.372 2.902 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395914 472520629 /nfs/dbraw/zinc/52/06/29/472520629.db2.gz ZWEHBKWGPZRXLH-JQWIXIFHSA-N 1 0 345.403 2.623 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395921 472520834 /nfs/dbraw/zinc/52/08/34/472520834.db2.gz ZWEHBKWGPZRXLH-PWSUYJOCSA-N 1 0 345.403 2.623 20 5 EFBDRO C[NH+](C)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000058296909 472540247 /nfs/dbraw/zinc/54/02/47/472540247.db2.gz KPKGKYSTIMMFRZ-UHFFFAOYSA-N 1 0 342.399 2.602 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000119331954 472547080 /nfs/dbraw/zinc/54/70/80/472547080.db2.gz OBLSHBXTPJSNAP-YVARQFDVSA-N 1 0 349.406 2.841 20 5 EFBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000101651879 472547356 /nfs/dbraw/zinc/54/73/56/472547356.db2.gz LDZUJHXQTIEFFG-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927424 472548104 /nfs/dbraw/zinc/54/81/04/472548104.db2.gz ZNUYWMBPFGFGDY-JSGCOSHPSA-N 1 0 331.372 2.843 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1ccncc1 ZINC000129647424 472557692 /nfs/dbraw/zinc/55/76/92/472557692.db2.gz ZHDJJGADJRLVFF-UHFFFAOYSA-N 1 0 346.362 2.632 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000155498922 472559061 /nfs/dbraw/zinc/55/90/61/472559061.db2.gz JBZCIZSXRFBALE-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071838571 472580250 /nfs/dbraw/zinc/58/02/50/472580250.db2.gz OKECCWSBIYHMBX-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650814 472588606 /nfs/dbraw/zinc/58/86/06/472588606.db2.gz QKNOTUWWZQGYRE-ZBFHGGJFSA-N 1 0 334.464 2.580 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000119856122 472593192 /nfs/dbraw/zinc/59/31/92/472593192.db2.gz FUTXCVBDHOCOSE-ZJUUUORDSA-N 1 0 338.795 2.995 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058857818 472605939 /nfs/dbraw/zinc/60/59/39/472605939.db2.gz UTVSTQWKSVOMDR-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058883584 472609601 /nfs/dbraw/zinc/60/96/01/472609601.db2.gz BQWPYIMBZPWNDY-UHFFFAOYSA-N 1 0 332.404 2.736 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000058908121 472611505 /nfs/dbraw/zinc/61/15/05/472611505.db2.gz RJIQZSXYSRLITQ-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000103119572 472611983 /nfs/dbraw/zinc/61/19/83/472611983.db2.gz DHXYZIHIOWTBFZ-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO CCCN(CC(=O)NC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130612321 472618078 /nfs/dbraw/zinc/61/80/78/472618078.db2.gz ANWXQJWEUXCJLX-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000155814953 472620803 /nfs/dbraw/zinc/62/08/03/472620803.db2.gz BPECKVZBIKQZGS-CHWSQXEVSA-N 1 0 338.371 2.982 20 5 EFBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550921 472633663 /nfs/dbraw/zinc/63/36/63/472633663.db2.gz PZEPUYSTNRGARA-DYVFJYSZSA-N 1 0 345.374 2.979 20 5 EFBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550725 472634122 /nfs/dbraw/zinc/63/41/22/472634122.db2.gz PFDJIFBWOFUONF-INIZCTEOSA-N 1 0 329.400 2.710 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000090553265 472634528 /nfs/dbraw/zinc/63/45/28/472634528.db2.gz ZHIQQVXFHLRNFB-SFHVURJKSA-N 1 0 339.395 2.908 20 5 EFBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CCC2 ZINC000090554302 472635620 /nfs/dbraw/zinc/63/56/20/472635620.db2.gz YYOGYAJWIJFSMF-AWEZNQCLSA-N 1 0 348.428 2.531 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000090651413 472647500 /nfs/dbraw/zinc/64/75/00/472647500.db2.gz ACTXIBHIPUXOEU-CYBMUJFWSA-N 1 0 338.404 2.840 20 5 EFBDRO Cc1nccn1CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000155959726 472647609 /nfs/dbraw/zinc/64/76/09/472647609.db2.gz GSQAFSNLZINWHL-UHFFFAOYSA-N 1 0 331.376 2.962 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000104097217 472656222 /nfs/dbraw/zinc/65/62/22/472656222.db2.gz KGPTUEWUDFXLPT-CGQZWFTASA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000156065690 472660709 /nfs/dbraw/zinc/66/07/09/472660709.db2.gz ZHXJUXCHDDSMJX-GFCCVEGCSA-N 1 0 344.415 2.849 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047214062 472671165 /nfs/dbraw/zinc/67/11/65/472671165.db2.gz SJAAQWPKZZEADB-OAHLLOKOSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226946 472673522 /nfs/dbraw/zinc/67/35/22/472673522.db2.gz IDIYTWBNXFEGTH-APHBMKBZSA-N 1 0 349.456 2.818 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000060774032 472677379 /nfs/dbraw/zinc/67/73/79/472677379.db2.gz DXROBXSQOBEEQS-CQSZACIVSA-N 1 0 328.796 2.924 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000156244253 472681620 /nfs/dbraw/zinc/68/16/20/472681620.db2.gz PWZSAZNJEFMWQK-UHFFFAOYSA-N 1 0 329.404 2.977 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC(CO)CC1 ZINC000156255452 472682899 /nfs/dbraw/zinc/68/28/99/472682899.db2.gz ICOMNPBOCUDGPT-UHFFFAOYSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000120457940 472692250 /nfs/dbraw/zinc/69/22/50/472692250.db2.gz KFVKUQYVJLKKCN-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCn3cccn3)C2)nc1 ZINC000072665221 472696751 /nfs/dbraw/zinc/69/67/51/472696751.db2.gz ZRJNQMXOKFLOEF-OAHLLOKOSA-N 1 0 344.419 2.543 20 5 EFBDRO Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104832499 472697403 /nfs/dbraw/zinc/69/74/03/472697403.db2.gz HEWYDRUZUFXWHG-UHFFFAOYSA-N 1 0 334.420 2.524 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725018 472709070 /nfs/dbraw/zinc/70/90/70/472709070.db2.gz JUMMUUHTOCPUBL-GJZGRUSLSA-N 1 0 348.447 2.728 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000047454201 472715961 /nfs/dbraw/zinc/71/59/61/472715961.db2.gz VZBKOIJPYIBBBN-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000072926538 472741675 /nfs/dbraw/zinc/74/16/75/472741675.db2.gz PPNIIEZAFCCXQP-NVXWUHKLSA-N 1 0 336.388 2.659 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000105488108 472754579 /nfs/dbraw/zinc/75/45/79/472754579.db2.gz IRMFMUYCACEFSZ-ZDUSSCGKSA-N 1 0 343.431 2.568 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156836294 472759443 /nfs/dbraw/zinc/75/94/43/472759443.db2.gz RSIAFAYTTJVKTE-UHFFFAOYSA-N 1 0 330.388 2.605 20 5 EFBDRO CCc1nn(C)c(NCc2cccc(C[N@@H+](C)CC)c2)c1[N+](=O)[O-] ZINC000091457235 472768067 /nfs/dbraw/zinc/76/80/67/472768067.db2.gz ZSDSGQWLDAFATG-UHFFFAOYSA-N 1 0 331.420 2.955 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000091483094 472772673 /nfs/dbraw/zinc/77/26/73/472772673.db2.gz KGRLZVUAJFBLIN-NSHDSACASA-N 1 0 339.367 2.664 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000047905743 472779242 /nfs/dbraw/zinc/77/92/42/472779242.db2.gz XYPSULCIVXDXKZ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000157094030 472785083 /nfs/dbraw/zinc/78/50/83/472785083.db2.gz HZEJWCOVNPYBOZ-LBPRGKRZSA-N 1 0 331.397 2.631 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000047978894 472793222 /nfs/dbraw/zinc/79/32/22/472793222.db2.gz WGTKYDDRFXKYDX-INIZCTEOSA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000157204925 472795541 /nfs/dbraw/zinc/79/55/41/472795541.db2.gz ADOYLCFBNZVWFD-CJNGLKHVSA-N 1 0 349.456 2.630 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157247721 472800078 /nfs/dbraw/zinc/80/00/78/472800078.db2.gz IIWSUUNSSNDXOD-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000157266789 472802514 /nfs/dbraw/zinc/80/25/14/472802514.db2.gz ROFYMEXZDTVRGC-WQELODFKSA-N 1 0 347.390 2.690 20 5 EFBDRO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000133520236 472812885 /nfs/dbraw/zinc/81/28/85/472812885.db2.gz FMYFHCFLFHOEIJ-PWSUYJOCSA-N 1 0 330.388 2.517 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000063782763 472813643 /nfs/dbraw/zinc/81/36/43/472813643.db2.gz PERODPSAIPYKPC-UHFFFAOYSA-N 1 0 336.436 2.633 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1 ZINC000063836542 472818887 /nfs/dbraw/zinc/81/88/87/472818887.db2.gz ITHJAURDVMUXKI-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000133762286 472838183 /nfs/dbraw/zinc/83/81/83/472838183.db2.gz VPTFIPSZZVQIAU-CYBMUJFWSA-N 1 0 337.395 2.515 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)c1 ZINC000092047884 472847180 /nfs/dbraw/zinc/84/71/80/472847180.db2.gz TYOKNTLBBQOKLF-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072485 472853203 /nfs/dbraw/zinc/85/32/03/472853203.db2.gz UBFAURHILLSUKD-LBPRGKRZSA-N 1 0 346.387 2.715 20 5 EFBDRO Cc1cccnc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000106481343 472855658 /nfs/dbraw/zinc/85/56/58/472855658.db2.gz PHWWSICRLOVHCM-UHFFFAOYSA-N 1 0 337.383 2.989 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157812634 472861154 /nfs/dbraw/zinc/86/11/54/472861154.db2.gz QPNXOTGOEHSYKS-UHFFFAOYSA-N 1 0 337.401 2.613 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000157881415 472868571 /nfs/dbraw/zinc/86/85/71/472868571.db2.gz VQSFFBZQOWBKDO-AWEZNQCLSA-N 1 0 345.403 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000121572397 472873308 /nfs/dbraw/zinc/87/33/08/472873308.db2.gz GNRIRQNRPPFFPV-CVEARBPZSA-N 1 0 348.424 2.981 20 5 EFBDRO CN(CCc1nccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000157946974 472877455 /nfs/dbraw/zinc/87/74/55/472877455.db2.gz MRXBZKROHXLXBK-UHFFFAOYSA-N 1 0 345.384 2.776 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000157946985 472877499 /nfs/dbraw/zinc/87/74/99/472877499.db2.gz BCCHGAWILVQZOQ-CQSZACIVSA-N 1 0 335.404 2.736 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000064914226 472884697 /nfs/dbraw/zinc/88/46/97/472884697.db2.gz MCCSNDSDJJWQNC-CHWSQXEVSA-N 1 0 334.420 2.629 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079551175 472884847 /nfs/dbraw/zinc/88/48/47/472884847.db2.gz FVSCFPNARAQMTE-CHWSQXEVSA-N 1 0 338.795 2.997 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000073841463 472886757 /nfs/dbraw/zinc/88/67/57/472886757.db2.gz VQKWMMBLKZZKFQ-UHFFFAOYSA-N 1 0 348.447 2.728 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000134344643 472896543 /nfs/dbraw/zinc/89/65/43/472896543.db2.gz IPEKWIMEGZUAKR-UHFFFAOYSA-N 1 0 344.415 2.599 20 5 EFBDRO COCC[NH+](CCOC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000158199719 472906162 /nfs/dbraw/zinc/90/61/62/472906162.db2.gz OQKLAFHWMGPOSP-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000158357160 472928324 /nfs/dbraw/zinc/92/83/24/472928324.db2.gz UDSUQIIAECTRMH-UHFFFAOYSA-N 1 0 341.367 2.773 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000049075467 472928997 /nfs/dbraw/zinc/92/89/97/472928997.db2.gz YHHXGYMEXGIOGD-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000049078341 472929454 /nfs/dbraw/zinc/92/94/54/472929454.db2.gz OFAQFUNKALMPOJ-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO Cc1nn(C)c(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000079887117 472937415 /nfs/dbraw/zinc/93/74/15/472937415.db2.gz QYYXKJSHLVPMFK-UHFFFAOYSA-N 1 0 343.431 2.756 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000121903316 472942122 /nfs/dbraw/zinc/94/21/22/472942122.db2.gz XOSYTDOAQROFDY-UHFFFAOYSA-N 1 0 337.376 2.787 20 5 EFBDRO CC(C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000074102019 472942399 /nfs/dbraw/zinc/94/23/99/472942399.db2.gz ZOEGBJWPFCPSHD-KRWDZBQOSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000049442735 472949018 /nfs/dbraw/zinc/94/90/18/472949018.db2.gz MHGWDWSGLLOQRE-UHFFFAOYSA-N 1 0 344.209 2.884 20 5 EFBDRO CCC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000121956825 472954036 /nfs/dbraw/zinc/95/40/36/472954036.db2.gz LELAEKBIBWVBBR-GOSISDBHSA-N 1 0 335.448 2.570 20 5 EFBDRO CC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092669646 472958618 /nfs/dbraw/zinc/95/86/18/472958618.db2.gz IZBROHNYVOYCMQ-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000080046279 472966287 /nfs/dbraw/zinc/96/62/87/472966287.db2.gz JJBDCLSSMGJLLN-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO COc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050009323 472973670 /nfs/dbraw/zinc/97/36/70/472973670.db2.gz HZAQCLGYPVVIAG-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107690646 472975561 /nfs/dbraw/zinc/97/55/61/472975561.db2.gz ZMQGPHRMBHHGKD-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080101975 472975969 /nfs/dbraw/zinc/97/59/69/472975969.db2.gz RMFRDSJPPPVRIO-CYBMUJFWSA-N 1 0 336.436 2.859 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000092763998 472980140 /nfs/dbraw/zinc/98/01/40/472980140.db2.gz KAXODXMZKRPCKR-LBPRGKRZSA-N 1 0 332.356 2.678 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000074326700 472989364 /nfs/dbraw/zinc/98/93/64/472989364.db2.gz ARDCLZYIHFVOQL-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000134927203 472991587 /nfs/dbraw/zinc/99/15/87/472991587.db2.gz VDIXPXUSYIUSKH-AWEZNQCLSA-N 1 0 327.812 2.954 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000092826958 472994734 /nfs/dbraw/zinc/99/47/34/472994734.db2.gz ZABWQADQWOOVLV-CYBMUJFWSA-N 1 0 333.392 2.733 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092828974 472995199 /nfs/dbraw/zinc/99/51/99/472995199.db2.gz GUIXZWJLTNSFDY-CQSZACIVSA-N 1 0 335.383 2.745 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134965557 472999565 /nfs/dbraw/zinc/99/95/65/472999565.db2.gz ZHMWIUPDUBUVBH-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO COC1CC[NH+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000080250456 473004059 /nfs/dbraw/zinc/00/40/59/473004059.db2.gz WZXHRMBGOPFRIH-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065746141 473005742 /nfs/dbraw/zinc/00/57/42/473005742.db2.gz WHALLVHTENUSKO-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080259464 473006431 /nfs/dbraw/zinc/00/64/31/473006431.db2.gz WNJBGBGUVHLLCY-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000080267748 473006489 /nfs/dbraw/zinc/00/64/89/473006489.db2.gz GLEQPEGTKGNKBE-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448220 473009087 /nfs/dbraw/zinc/00/90/87/473009087.db2.gz AHXSFNOUQHMKGO-OAHLLOKOSA-N 1 0 343.383 2.924 20 5 EFBDRO CCc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000051261797 473036555 /nfs/dbraw/zinc/03/65/55/473036555.db2.gz VMQFBEOZDVJCQF-HNNXBMFYSA-N 1 0 331.420 2.914 20 5 EFBDRO CNc1ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000080475708 473036640 /nfs/dbraw/zinc/03/66/40/473036640.db2.gz SWJVTTGWFRAKFK-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO CCc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000159742213 473056514 /nfs/dbraw/zinc/05/65/14/473056514.db2.gz UCDNSBCHWMQOHL-UHFFFAOYSA-N 1 0 341.411 2.984 20 5 EFBDRO Cc1nn(C)c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074775151 473062128 /nfs/dbraw/zinc/06/21/28/473062128.db2.gz OAOUJRUCJBMPHN-INIZCTEOSA-N 1 0 343.431 2.738 20 5 EFBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159826216 473064957 /nfs/dbraw/zinc/06/49/57/473064957.db2.gz UWMWZMWBKZRKQH-QGZVFWFLSA-N 1 0 341.411 2.772 20 5 EFBDRO CN(CC[NH+](C)C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000080684866 473069171 /nfs/dbraw/zinc/06/91/71/473069171.db2.gz DKBKDOIEUTYEDH-UHFFFAOYSA-N 1 0 327.384 2.824 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000051965358 473074316 /nfs/dbraw/zinc/07/43/16/473074316.db2.gz DJQNKKWAHOGMDC-INIZCTEOSA-N 1 0 346.383 2.901 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160178560 473093884 /nfs/dbraw/zinc/09/38/84/473093884.db2.gz IVSBYUHRCZFBKY-INIZCTEOSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093362765 473094681 /nfs/dbraw/zinc/09/46/81/473094681.db2.gz KEHZCFBASGDLTH-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000123083736 473095355 /nfs/dbraw/zinc/09/53/55/473095355.db2.gz VLDMJLLZNFTFMI-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO COc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000135592067 473097059 /nfs/dbraw/zinc/09/70/59/473097059.db2.gz FEJMUSXOASMTGJ-CQSZACIVSA-N 1 0 330.388 2.846 20 5 EFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160275038 473103068 /nfs/dbraw/zinc/10/30/68/473103068.db2.gz SFARSYNNMLGWQI-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000160273039 473103604 /nfs/dbraw/zinc/10/36/04/473103604.db2.gz FGJJVTAIMPGLTR-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000135807367 473114132 /nfs/dbraw/zinc/11/41/32/473114132.db2.gz CEYOKZWTIWYYKC-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000109747680 473117271 /nfs/dbraw/zinc/11/72/71/473117271.db2.gz HFDNVLBICVNFAM-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO Cn1cc(C[N@H+](C)Cc2cccn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093584287 473119081 /nfs/dbraw/zinc/11/90/81/473119081.db2.gz CHFFDKCBBREADV-UHFFFAOYSA-N 1 0 339.399 2.966 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000136013183 473127503 /nfs/dbraw/zinc/12/75/03/473127503.db2.gz JJMCZKZDXWYATA-LBPRGKRZSA-N 1 0 343.387 2.802 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136157389 473139856 /nfs/dbraw/zinc/13/98/56/473139856.db2.gz YRNPRWFTCWNYFQ-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1noc([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052863680 473156809 /nfs/dbraw/zinc/15/68/09/473156809.db2.gz RVFPSKFKQCGUNL-AWEZNQCLSA-N 1 0 346.387 2.935 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000094070143 473174267 /nfs/dbraw/zinc/17/42/67/473174267.db2.gz TWKRXAHWJAGZOG-UHFFFAOYSA-N 1 0 345.403 2.530 20 5 EFBDRO COCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809192 473177778 /nfs/dbraw/zinc/17/77/78/473177778.db2.gz HMDCFOFZUWWRRL-GOSISDBHSA-N 1 0 330.384 2.777 20 5 EFBDRO CCc1nn(C)c(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000094134675 473179807 /nfs/dbraw/zinc/17/98/07/473179807.db2.gz AEJVSFOTBWZCKN-UHFFFAOYSA-N 1 0 343.431 2.751 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066944115 473180397 /nfs/dbraw/zinc/18/03/97/473180397.db2.gz INYUBOPCKJJFHD-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123797876 473186200 /nfs/dbraw/zinc/18/62/00/473186200.db2.gz FJPQCVMRVXHTHF-HNNXBMFYSA-N 1 0 344.415 2.662 20 5 EFBDRO [NH3+]CCCCCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909198 473190970 /nfs/dbraw/zinc/19/09/70/473190970.db2.gz PHYUWJVPMWYIMO-UHFFFAOYSA-N 1 0 349.431 2.874 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000113937419 473426509 /nfs/dbraw/zinc/42/65/09/473426509.db2.gz YUPHJUWIIOOMRM-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266558 473435486 /nfs/dbraw/zinc/43/54/86/473435486.db2.gz RRFPGJDSUWMYEQ-KRWDZBQOSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185515385 473446376 /nfs/dbraw/zinc/44/63/76/473446376.db2.gz SYBGKCWMCRTDQM-UHFFFAOYSA-N 1 0 342.395 2.957 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000163523800 473452083 /nfs/dbraw/zinc/45/20/83/473452083.db2.gz XTGIEVBHPBSOMY-OAHLLOKOSA-N 1 0 333.432 2.622 20 5 EFBDRO Cn1cc(C[NH2+]C2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171767956 473456089 /nfs/dbraw/zinc/45/60/89/473456089.db2.gz GOOUIZVPODQUQR-UHFFFAOYSA-N 1 0 332.429 2.981 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164068747 473477426 /nfs/dbraw/zinc/47/74/26/473477426.db2.gz WQXUAAOYSBKUNX-GDBMZVCRSA-N 1 0 346.431 2.583 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000164137209 473479820 /nfs/dbraw/zinc/47/98/20/473479820.db2.gz XEMSCAVWZGXNBB-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000164173855 473480949 /nfs/dbraw/zinc/48/09/49/473480949.db2.gz LBUZLMRJUXIPHA-DGCLKSJQSA-N 1 0 337.807 2.805 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000114562390 473481440 /nfs/dbraw/zinc/48/14/40/473481440.db2.gz PFTSRCJPLRQBPH-UHFFFAOYSA-N 1 0 327.384 2.665 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000151770880 473492678 /nfs/dbraw/zinc/49/26/78/473492678.db2.gz GQLYVVIQILJODJ-UHFFFAOYSA-N 1 0 334.420 2.581 20 5 EFBDRO NC(=O)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000151824877 473496679 /nfs/dbraw/zinc/49/66/79/473496679.db2.gz OLHXMFGRKKOPSI-QGZVFWFLSA-N 1 0 345.374 2.873 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000126199895 473498039 /nfs/dbraw/zinc/49/80/39/473498039.db2.gz YXSOEODJVIRDTO-MFKMUULPSA-N 1 0 325.796 2.660 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000126247210 473501699 /nfs/dbraw/zinc/50/16/99/473501699.db2.gz OAZWBEIBQZHLMQ-HNNXBMFYSA-N 1 0 333.432 2.636 20 5 EFBDRO Cn1cc([C@@H]2CSCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191198327 473505932 /nfs/dbraw/zinc/50/59/32/473505932.db2.gz KNQFXRAEORONIN-INIZCTEOSA-N 1 0 332.429 2.661 20 5 EFBDRO Cc1c(Br)c(NC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000165719419 473513673 /nfs/dbraw/zinc/51/36/73/473513673.db2.gz MLYOWXWPEYMVAF-UHFFFAOYSA-N 1 0 329.198 2.567 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000191236532 473515820 /nfs/dbraw/zinc/51/58/20/473515820.db2.gz JVOOHUUZXQJNAN-UHFFFAOYSA-N 1 0 335.404 2.514 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[NH+]1CCCCC1 ZINC000172099713 473522201 /nfs/dbraw/zinc/52/22/01/473522201.db2.gz KIWGGBKXANXTBV-UHFFFAOYSA-N 1 0 339.823 2.783 20 5 EFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCO)c([N+](=O)[O-])c1 ZINC000126624286 473530679 /nfs/dbraw/zinc/53/06/79/473530679.db2.gz PJXZTMUMVHGDLE-QGZVFWFLSA-N 1 0 343.383 2.507 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126809063 473548850 /nfs/dbraw/zinc/54/88/50/473548850.db2.gz JEKBRHXLPBTQDZ-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000178788087 473564517 /nfs/dbraw/zinc/56/45/17/473564517.db2.gz SCIWUVIDUYCZRH-MNOVXSKESA-N 1 0 341.795 2.544 20 5 EFBDRO CC[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000115576488 473585526 /nfs/dbraw/zinc/58/55/26/473585526.db2.gz ZXJWIKZBLMNFBU-AWEZNQCLSA-N 1 0 331.372 2.903 20 5 EFBDRO CCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000178896105 473586758 /nfs/dbraw/zinc/58/67/58/473586758.db2.gz SKLNBRKFBGBXIE-GXTWGEPZSA-N 1 0 337.445 2.676 20 5 EFBDRO CN(C)c1noc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898443 473587494 /nfs/dbraw/zinc/58/74/94/473587494.db2.gz MVKZHJUYTGMSGV-OCCSQVGLSA-N 1 0 345.403 2.545 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000127404312 473609068 /nfs/dbraw/zinc/60/90/68/473609068.db2.gz HTAOUVUXKCJMON-SJKOYZFVSA-N 1 0 344.415 2.878 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000127424000 473611937 /nfs/dbraw/zinc/61/19/37/473611937.db2.gz AQQXXHWSFQTNNN-UHFFFAOYSA-N 1 0 333.432 2.964 20 5 EFBDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000127433142 473613122 /nfs/dbraw/zinc/61/31/22/473613122.db2.gz SKSSWNMAYMLQQV-OAHLLOKOSA-N 1 0 329.404 2.522 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000179056981 473619290 /nfs/dbraw/zinc/61/92/90/473619290.db2.gz GKCPBOFDJHFYNC-CQSZACIVSA-N 1 0 345.424 2.795 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000127611552 473631893 /nfs/dbraw/zinc/63/18/93/473631893.db2.gz OSXIMYBXMJCVIZ-AWEZNQCLSA-N 1 0 332.404 2.817 20 5 EFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186305437 473643634 /nfs/dbraw/zinc/64/36/34/473643634.db2.gz RWKLMDAZOCBRIW-IRXDYDNUSA-N 1 0 349.431 2.741 20 5 EFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000192180029 473643973 /nfs/dbraw/zinc/64/39/73/473643973.db2.gz BRNIRJXCGYIFSB-NSHDSACASA-N 1 0 341.408 2.890 20 5 EFBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186305420 473644222 /nfs/dbraw/zinc/64/42/22/473644222.db2.gz RWKLMDAZOCBRIW-DLBZAZTESA-N 1 0 349.431 2.741 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116281362 473646201 /nfs/dbraw/zinc/64/62/01/473646201.db2.gz UKCATJRHBJRTOV-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO C[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000127790507 473649790 /nfs/dbraw/zinc/64/97/90/473649790.db2.gz IHPMEYRUPMSTJS-VUDGCMKMSA-N 1 0 335.379 2.595 20 5 EFBDRO CCCN(CC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330990 473651652 /nfs/dbraw/zinc/65/16/52/473651652.db2.gz FMCMLHVPYFDGBT-OAHLLOKOSA-N 1 0 338.404 2.682 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127822644 473654221 /nfs/dbraw/zinc/65/42/21/473654221.db2.gz ANQMWYVIGFLZAX-AWEZNQCLSA-N 1 0 349.431 2.581 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172705682 473673752 /nfs/dbraw/zinc/67/37/52/473673752.db2.gz YUBHOJCPJYRFAO-RCMYXZNBSA-N 1 0 343.427 2.942 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000179346167 473677749 /nfs/dbraw/zinc/67/77/49/473677749.db2.gz GJLPIGKYGBYYBP-UHFFFAOYSA-N 1 0 325.434 2.850 20 5 EFBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496814 473682190 /nfs/dbraw/zinc/68/21/90/473682190.db2.gz QCFCJODTXAVOMO-SJCJKPOMSA-N 1 0 342.399 2.598 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000179391853 473683425 /nfs/dbraw/zinc/68/34/25/473683425.db2.gz YIXRKXOTVLXBIA-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000179391841 473683735 /nfs/dbraw/zinc/68/37/35/473683735.db2.gz YIXRKXOTVLXBIA-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000179405553 473684830 /nfs/dbraw/zinc/68/48/30/473684830.db2.gz KTWXVBLNKYTNDL-QWHCGFSZSA-N 1 0 335.404 2.655 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000192511995 473687470 /nfs/dbraw/zinc/68/74/70/473687470.db2.gz OEODRPDXKOZTOI-QGZVFWFLSA-N 1 0 325.368 2.935 20 5 EFBDRO CCc1nn(C)c(NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000172823327 473689229 /nfs/dbraw/zinc/68/92/29/473689229.db2.gz CCJGPYFLVHSMKJ-UHFFFAOYSA-N 1 0 331.420 2.825 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000192543690 473690842 /nfs/dbraw/zinc/69/08/42/473690842.db2.gz WTPYXFQNGKEEBJ-UHFFFAOYSA-N 1 0 347.419 2.672 20 5 EFBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576856 473692793 /nfs/dbraw/zinc/69/27/93/473692793.db2.gz SRENLHHKDNCXPC-HOCLYGCPSA-N 1 0 342.823 2.904 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262599676 473699673 /nfs/dbraw/zinc/69/96/73/473699673.db2.gz NXTRSROWGAMJSD-NEPJUHHUSA-N 1 0 331.397 2.776 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000192649012 473700596 /nfs/dbraw/zinc/70/05/96/473700596.db2.gz QTYKYXKQDCFNTI-UHFFFAOYSA-N 1 0 335.383 2.803 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000269140117 473708316 /nfs/dbraw/zinc/70/83/16/473708316.db2.gz YLOBSXFCWFEUEL-VQISRLSMSA-N 1 0 337.807 2.785 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000269146482 473709401 /nfs/dbraw/zinc/70/94/01/473709401.db2.gz OFPFMJDOVYNTHE-UHFFFAOYSA-N 1 0 343.387 2.783 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000172981473 473719164 /nfs/dbraw/zinc/71/91/64/473719164.db2.gz GJVKHOWVVSFIAF-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274060806 473721724 /nfs/dbraw/zinc/72/17/24/473721724.db2.gz AHOHGDKISVCTMP-IUODEOHRSA-N 1 0 329.404 2.569 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000192769170 473722212 /nfs/dbraw/zinc/72/22/12/473722212.db2.gz YGGNPWRKLWDGOE-UHFFFAOYSA-N 1 0 326.400 2.889 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269186224 473723685 /nfs/dbraw/zinc/72/36/85/473723685.db2.gz FTUHUYYKOZIDIW-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192800764 473727974 /nfs/dbraw/zinc/72/79/74/473727974.db2.gz UNNSQHDXPXDAKQ-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC1(C)COCCN1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192816576 473731657 /nfs/dbraw/zinc/73/16/57/473731657.db2.gz VCBGCDMSYJNSNN-QGZVFWFLSA-N 1 0 333.432 2.673 20 5 EFBDRO CCOC(=O)C[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000186704691 473733629 /nfs/dbraw/zinc/73/36/29/473733629.db2.gz LAMGSJCZMMEQJC-DOTOQJQBSA-N 1 0 338.404 2.586 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000186721497 473741085 /nfs/dbraw/zinc/74/10/85/473741085.db2.gz OCFPIUGZFUDIDL-RYUDHWBXSA-N 1 0 337.445 2.919 20 5 EFBDRO CN(CCC[NH+]1CCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281498358 473741653 /nfs/dbraw/zinc/74/16/53/473741653.db2.gz XVNAQOJVSHIONF-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000179870495 473744820 /nfs/dbraw/zinc/74/48/20/473744820.db2.gz KTKZHOPTSICRER-LLVKDONJSA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173105307 473746291 /nfs/dbraw/zinc/74/62/91/473746291.db2.gz WTTZAOIMEQTBAK-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000274156241 473747423 /nfs/dbraw/zinc/74/74/23/473747423.db2.gz JOHRKDVKRMNEHD-SFHVURJKSA-N 1 0 331.416 2.718 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000613620826 480059277 /nfs/dbraw/zinc/05/92/77/480059277.db2.gz KTUBAWKISFVWLL-HYXAFXHYSA-N 1 0 332.400 2.880 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCSC ZINC000281566570 473768298 /nfs/dbraw/zinc/76/82/98/473768298.db2.gz YPVNXWRQYAOARX-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000281571376 473769350 /nfs/dbraw/zinc/76/93/50/473769350.db2.gz ASVLEWUYVNZHOT-UHFFFAOYSA-N 1 0 342.399 2.701 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000287826270 473771978 /nfs/dbraw/zinc/77/19/78/473771978.db2.gz VKZHIVWXNSAPMJ-ZWNOBZJWSA-N 1 0 334.294 2.803 20 5 EFBDRO CSc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281579113 473772227 /nfs/dbraw/zinc/77/22/27/473772227.db2.gz BGOFTKLMJNUPIM-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000269323868 473773561 /nfs/dbraw/zinc/77/35/61/473773561.db2.gz KEWVBWZISUIVRK-UHFFFAOYSA-N 1 0 332.448 2.590 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179998504 473774352 /nfs/dbraw/zinc/77/43/52/473774352.db2.gz HLCZKWNSORJGJI-JKSUJKDBSA-N 1 0 336.388 2.558 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1F ZINC000274296930 473775874 /nfs/dbraw/zinc/77/58/74/473775874.db2.gz IOGLSOFGTFDVCS-MRXNPFEDSA-N 1 0 326.368 2.870 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173259523 473783742 /nfs/dbraw/zinc/78/37/42/473783742.db2.gz IRJYGIDGAVTZMR-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1c(NC(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000193491957 473790604 /nfs/dbraw/zinc/79/06/04/473790604.db2.gz MSRONDOLFBQTHQ-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246211076 473797989 /nfs/dbraw/zinc/79/79/89/473797989.db2.gz SSMLXPKFFPMTHR-GJZGRUSLSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1ccc(OCC[N@H+]([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000287926906 473799432 /nfs/dbraw/zinc/79/94/32/473799432.db2.gz WMGROTZDPBIYDH-ZDUSSCGKSA-N 1 0 338.404 2.608 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000281664238 473799896 /nfs/dbraw/zinc/79/98/96/473799896.db2.gz STEMOESSGCCHDK-HNNXBMFYSA-N 1 0 349.431 2.661 20 5 EFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173352713 473814646 /nfs/dbraw/zinc/81/46/46/473814646.db2.gz MSSLWYFTOFBHGF-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173366977 473817163 /nfs/dbraw/zinc/81/71/63/473817163.db2.gz IAOKQLCQLLNXIO-CQSZACIVSA-N 1 0 327.384 2.952 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000173370045 473817569 /nfs/dbraw/zinc/81/75/69/473817569.db2.gz WLYNUFMCZFELBD-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000269543843 473828547 /nfs/dbraw/zinc/82/85/47/473828547.db2.gz VYOVAQYKRHPFCH-UHFFFAOYSA-N 1 0 339.440 2.680 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288041662 473831081 /nfs/dbraw/zinc/83/10/81/473831081.db2.gz DLQMMJWXINAXPR-OAHLLOKOSA-N 1 0 329.404 2.806 20 5 EFBDRO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173427616 473834721 /nfs/dbraw/zinc/83/47/21/473834721.db2.gz LPDLFPZCVJOILX-CABCVRRESA-N 1 0 333.432 2.746 20 5 EFBDRO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173427600 473835090 /nfs/dbraw/zinc/83/50/90/473835090.db2.gz LPDLFPZCVJOILX-GJZGRUSLSA-N 1 0 333.432 2.746 20 5 EFBDRO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173427629 473835434 /nfs/dbraw/zinc/83/54/34/473835434.db2.gz LPDLFPZCVJOILX-LSDHHAIUSA-N 1 0 333.432 2.746 20 5 EFBDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246346514 473835968 /nfs/dbraw/zinc/83/59/68/473835968.db2.gz JKLAJVNXAUOPTM-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000263772782 473842531 /nfs/dbraw/zinc/84/25/31/473842531.db2.gz MIPOTCJWDIZVSW-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000194118522 473845682 /nfs/dbraw/zinc/84/56/82/473845682.db2.gz JVGOFCVHWIUYMC-GFCCVEGCSA-N 1 0 337.445 2.628 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000173471671 473847914 /nfs/dbraw/zinc/84/79/14/473847914.db2.gz UCSYJTKRXSYKRZ-ZDUSSCGKSA-N 1 0 346.362 2.824 20 5 EFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180294202 473848798 /nfs/dbraw/zinc/84/87/98/473848798.db2.gz QUADXJGQGRGTIZ-LBPRGKRZSA-N 1 0 331.372 2.669 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000269648551 473850074 /nfs/dbraw/zinc/85/00/74/473850074.db2.gz CWXLELPPSQMCAV-INIZCTEOSA-N 1 0 331.416 2.533 20 5 EFBDRO CC(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000269653050 473853091 /nfs/dbraw/zinc/85/30/91/473853091.db2.gz QYPRVXNAPCXYEA-OAHLLOKOSA-N 1 0 342.390 2.557 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194263023 473868858 /nfs/dbraw/zinc/86/88/58/473868858.db2.gz GOJYXORXADFWHO-CYBMUJFWSA-N 1 0 334.420 2.828 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000269704759 473868905 /nfs/dbraw/zinc/86/89/05/473868905.db2.gz ZGLQEJNRDHJYRI-WBVHZDCISA-N 1 0 348.378 2.519 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000246474316 473874580 /nfs/dbraw/zinc/87/45/80/473874580.db2.gz QTGBCRYFEMSVIJ-XIRDDKMYSA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000281895935 473875872 /nfs/dbraw/zinc/87/58/72/473875872.db2.gz HMXBTUAGRJYNLP-OLZOCXBDSA-N 1 0 337.445 2.663 20 5 EFBDRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180446673 473880030 /nfs/dbraw/zinc/88/00/30/473880030.db2.gz GBJBOVXQESLEEW-LBPRGKRZSA-N 1 0 333.413 2.932 20 5 EFBDRO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194354791 473885993 /nfs/dbraw/zinc/88/59/93/473885993.db2.gz WMXPIOGJUFGKDI-AWEZNQCLSA-N 1 0 334.420 2.831 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000194384990 473889892 /nfs/dbraw/zinc/88/98/92/473889892.db2.gz KGFSWPSYPIBXEI-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000281936839 473891151 /nfs/dbraw/zinc/89/11/51/473891151.db2.gz LAFUGHRRJIVCGW-GFCCVEGCSA-N 1 0 348.403 2.765 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000194484706 473905575 /nfs/dbraw/zinc/90/55/75/473905575.db2.gz IJCKOFFLEZHQRO-GUTXKFCHSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000288360221 473919944 /nfs/dbraw/zinc/91/99/44/473919944.db2.gz KOTXAZNREBNRGA-MNOVXSKESA-N 1 0 339.342 2.572 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000282022662 473921416 /nfs/dbraw/zinc/92/14/16/473921416.db2.gz SILARJFBKVLQEX-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000288373338 473924863 /nfs/dbraw/zinc/92/48/63/473924863.db2.gz LIXYZGJVBPTTKT-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000288377437 473925695 /nfs/dbraw/zinc/92/56/95/473925695.db2.gz IKVYZTNKBMRJCA-UHFFFAOYSA-N 1 0 335.408 2.671 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000263976133 473926043 /nfs/dbraw/zinc/92/60/43/473926043.db2.gz ZGMNURVXKVHLQU-UHFFFAOYSA-N 1 0 337.420 2.845 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000173770018 473928279 /nfs/dbraw/zinc/92/82/79/473928279.db2.gz MDVDDENDEXUZQP-VXGBXAGGSA-N 1 0 326.418 2.808 20 5 EFBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000180668977 473936734 /nfs/dbraw/zinc/93/67/34/473936734.db2.gz QEDGNHQQUVLCAK-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO CSc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000282083959 473940772 /nfs/dbraw/zinc/94/07/72/473940772.db2.gz OGFSAJRJLMDBAX-GFCCVEGCSA-N 1 0 333.413 2.829 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000180714417 473949624 /nfs/dbraw/zinc/94/96/24/473949624.db2.gz AYKBUHIOVXYEHP-MRXNPFEDSA-N 1 0 342.399 2.518 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCOC2)s1 ZINC000270000321 473949756 /nfs/dbraw/zinc/94/97/56/473949756.db2.gz RCQRDYGQKSADAB-MRXNPFEDSA-N 1 0 334.397 2.564 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194763218 473950237 /nfs/dbraw/zinc/95/02/37/473950237.db2.gz IBSKOEZZUQTJPA-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000288472890 473953731 /nfs/dbraw/zinc/95/37/31/473953731.db2.gz PAUBWAIMQUZARZ-UHFFFAOYSA-N 1 0 339.193 2.734 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282146491 473960422 /nfs/dbraw/zinc/96/04/22/473960422.db2.gz SHIKMFFGTSXLSZ-CJNGLKHVSA-N 1 0 347.415 2.861 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274793652 473962721 /nfs/dbraw/zinc/96/27/21/473962721.db2.gz SIYQXKQEMCPSNW-OAHLLOKOSA-N 1 0 329.404 2.651 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000264377569 473967808 /nfs/dbraw/zinc/96/78/08/473967808.db2.gz WNOOQYSBWTUFNK-OAHLLOKOSA-N 1 0 348.374 2.683 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000180811999 473970126 /nfs/dbraw/zinc/97/01/26/473970126.db2.gz RTTNVGYEZPNHAQ-GFCCVEGCSA-N 1 0 337.445 2.777 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194898939 473972676 /nfs/dbraw/zinc/97/26/76/473972676.db2.gz PLFZIOSFSTUSPN-LLVKDONJSA-N 1 0 325.434 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)n2)cc1 ZINC000246874461 473988357 /nfs/dbraw/zinc/98/83/57/473988357.db2.gz USMBOVIGROFNBD-ZFWWWQNUSA-N 1 0 344.371 2.646 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000188119232 473990592 /nfs/dbraw/zinc/99/05/92/473990592.db2.gz XXKGUNCNEUETTP-GFCCVEGCSA-N 1 0 335.429 2.627 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174180788 474002053 /nfs/dbraw/zinc/00/20/53/474002053.db2.gz YGFYLVUJFRDHAR-OAHLLOKOSA-N 1 0 332.404 2.981 20 5 EFBDRO CCOCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000288619771 474002263 /nfs/dbraw/zinc/00/22/63/474002263.db2.gz RNCNRZHQEPSWOC-UHFFFAOYSA-N 1 0 326.393 2.764 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000174179752 474002718 /nfs/dbraw/zinc/00/27/18/474002718.db2.gz QUZYQRJCKAMMRA-ZDUSSCGKSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246921585 474005360 /nfs/dbraw/zinc/00/53/60/474005360.db2.gz WFGVPKBPYYQADZ-YOEHRIQHSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246951097 474013298 /nfs/dbraw/zinc/01/32/98/474013298.db2.gz XEJJTLQDEIPKTQ-GRDNDAEWSA-N 1 0 347.415 2.731 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000288692306 474023692 /nfs/dbraw/zinc/02/36/92/474023692.db2.gz BIZWESPBGVBFDO-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000264532342 474026420 /nfs/dbraw/zinc/02/64/20/474026420.db2.gz FUNNWBPGNZZJDZ-LBPRGKRZSA-N 1 0 330.388 2.782 20 5 EFBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1-n1cncn1 ZINC000174351488 474027641 /nfs/dbraw/zinc/02/76/41/474027641.db2.gz YCGXTYWPSXINSB-UHFFFAOYSA-N 1 0 337.383 2.816 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264543458 474030947 /nfs/dbraw/zinc/03/09/47/474030947.db2.gz BFLWSXRWXTYCTI-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247009227 474032640 /nfs/dbraw/zinc/03/26/40/474032640.db2.gz LFYWCEAAMBALCY-UKRRQHHQSA-N 1 0 348.447 2.995 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000195257088 474040721 /nfs/dbraw/zinc/04/07/21/474040721.db2.gz LEUYZDXBECVFPR-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639317 474054115 /nfs/dbraw/zinc/05/41/15/474054115.db2.gz BOGQOMFQJJAHQY-KGLIPLIRSA-N 1 0 331.416 2.978 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181668987 474056366 /nfs/dbraw/zinc/05/63/66/474056366.db2.gz CWFMQHDHMCSVAP-OCCSQVGLSA-N 1 0 346.431 2.681 20 5 EFBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000282415341 474057042 /nfs/dbraw/zinc/05/70/42/474057042.db2.gz QMVNFNASCDUXIH-LRDDRELGSA-N 1 0 336.391 2.703 20 5 EFBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000282415340 474057093 /nfs/dbraw/zinc/05/70/93/474057093.db2.gz QMVNFNASCDUXIH-BLLLJJGKSA-N 1 0 336.391 2.703 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000174534416 474057646 /nfs/dbraw/zinc/05/76/46/474057646.db2.gz CPYLAIIXGQBQDC-UHFFFAOYSA-N 1 0 325.368 2.859 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000270287735 474059837 /nfs/dbraw/zinc/05/98/37/474059837.db2.gz ZDQUSXUDLKNHAP-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1nccs1 ZINC000181729140 474060167 /nfs/dbraw/zinc/06/01/67/474060167.db2.gz JJFPNXSJNAJWPQ-UHFFFAOYSA-N 1 0 338.364 2.651 20 5 EFBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000247094810 474063020 /nfs/dbraw/zinc/06/30/20/474063020.db2.gz UNDJXWVKOKKOSI-ZIAGYGMSSA-N 1 0 335.404 2.589 20 5 EFBDRO CCS(=O)(=O)CCCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282431414 474063516 /nfs/dbraw/zinc/06/35/16/474063516.db2.gz KESPGNOISJMMBX-UHFFFAOYSA-N 1 0 342.461 2.674 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000282431132 474063540 /nfs/dbraw/zinc/06/35/40/474063540.db2.gz RHOZJDGCRRGFPQ-HSZRJFAPSA-N 1 0 334.397 2.856 20 5 EFBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000264619657 474063526 /nfs/dbraw/zinc/06/35/26/474063526.db2.gz RIFNSUYIDKRQBQ-HNNXBMFYSA-N 1 0 345.399 2.665 20 5 EFBDRO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195347221 474063774 /nfs/dbraw/zinc/06/37/74/474063774.db2.gz XASBUZPIFDAKEZ-LBPRGKRZSA-N 1 0 329.400 2.747 20 5 EFBDRO Cc1c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000174570296 474063853 /nfs/dbraw/zinc/06/38/53/474063853.db2.gz WBZDKRALQVJVRP-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264623459 474065434 /nfs/dbraw/zinc/06/54/34/474065434.db2.gz SCMIGOGDZBWYMU-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO CN(C)C(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000270306521 474065734 /nfs/dbraw/zinc/06/57/34/474065734.db2.gz FZQSSFLYMVTEOI-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([NH+](C)C)C1 ZINC000264632042 474067341 /nfs/dbraw/zinc/06/73/41/474067341.db2.gz RNBUCXXUDFKAFV-WFASDCNBSA-N 1 0 345.403 2.732 20 5 EFBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000288850083 474070244 /nfs/dbraw/zinc/07/02/44/474070244.db2.gz PDVQOXKQHHWABP-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000195483309 474082018 /nfs/dbraw/zinc/08/20/18/474082018.db2.gz ONVQJBAORWMAKU-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000195484042 474082453 /nfs/dbraw/zinc/08/24/53/474082453.db2.gz DOYQCENFPDOPRP-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275141881 474082618 /nfs/dbraw/zinc/08/26/18/474082618.db2.gz VLXKHNFUHITFRM-MNOVXSKESA-N 1 0 345.321 2.656 20 5 EFBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000182048737 474089187 /nfs/dbraw/zinc/08/91/87/474089187.db2.gz LTQIWHTTWBIHTA-GOSISDBHSA-N 1 0 345.399 2.752 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275164901 474091028 /nfs/dbraw/zinc/09/10/28/474091028.db2.gz VKRHCKJJMKJKEF-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270366874 474091173 /nfs/dbraw/zinc/09/11/73/474091173.db2.gz LWFPLOXTZUADTG-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(Cl)c1 ZINC000182123390 474103550 /nfs/dbraw/zinc/10/35/50/474103550.db2.gz MNVIDVOYRJXJQW-GFCCVEGCSA-N 1 0 326.780 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(Cl)c1 ZINC000182123366 474103903 /nfs/dbraw/zinc/10/39/03/474103903.db2.gz MNVIDVOYRJXJQW-LBPRGKRZSA-N 1 0 326.780 2.833 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1[NH+](C)C ZINC000270399463 474105574 /nfs/dbraw/zinc/10/55/74/474105574.db2.gz UZVQLSFOQYKCME-JKSUJKDBSA-N 1 0 332.429 2.625 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000174856989 474106653 /nfs/dbraw/zinc/10/66/53/474106653.db2.gz MXCTZPNFRYFYMP-UHFFFAOYSA-N 1 0 344.415 2.720 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000198229704 474107506 /nfs/dbraw/zinc/10/75/06/474107506.db2.gz BRPLLNBKSUGKCT-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CCCC[N@H+](CCCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182150449 474109682 /nfs/dbraw/zinc/10/96/82/474109682.db2.gz HODSMXLVGLXSEH-CQSZACIVSA-N 1 0 337.420 2.715 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000198360713 474110515 /nfs/dbraw/zinc/11/05/15/474110515.db2.gz ZMPAVSIFEVDUGE-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000247312153 474114987 /nfs/dbraw/zinc/11/49/87/474114987.db2.gz RBDNRCOIIMKRGZ-MJBXVCDLSA-N 1 0 348.447 2.544 20 5 EFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000182201182 474121725 /nfs/dbraw/zinc/12/17/25/474121725.db2.gz VVDBITHFEITYEH-DOTOQJQBSA-N 1 0 342.395 2.954 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264774862 474123172 /nfs/dbraw/zinc/12/31/72/474123172.db2.gz VSLRSAPPSIJHBR-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000247343864 474124133 /nfs/dbraw/zinc/12/41/33/474124133.db2.gz XRUKFWUCKWIURN-CVEARBPZSA-N 1 0 338.429 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000182242689 474130987 /nfs/dbraw/zinc/13/09/87/474130987.db2.gz WECYUPOAIJLSLQ-KBPBESRZSA-N 1 0 328.821 2.955 20 5 EFBDRO COc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182251365 474134527 /nfs/dbraw/zinc/13/45/27/474134527.db2.gz QCXOLCNRJGAEOQ-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000188589960 474135893 /nfs/dbraw/zinc/13/58/93/474135893.db2.gz RDCICGIIRADOMP-LBPRGKRZSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000270502837 474145286 /nfs/dbraw/zinc/14/52/86/474145286.db2.gz IEIKWWLIXHEAMM-DYVFJYSZSA-N 1 0 344.415 2.835 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282671289 474150222 /nfs/dbraw/zinc/15/02/22/474150222.db2.gz GYBYEMSMGMRVMD-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000275359229 474157236 /nfs/dbraw/zinc/15/72/36/474157236.db2.gz AUSVGVQBOJGWOU-HOCLYGCPSA-N 1 0 330.388 2.647 20 5 EFBDRO CCc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188670161 474159790 /nfs/dbraw/zinc/15/97/90/474159790.db2.gz JBZQTJAKWKXUEW-UHFFFAOYSA-N 1 0 325.368 2.690 20 5 EFBDRO COC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000188672851 474162211 /nfs/dbraw/zinc/16/22/11/474162211.db2.gz WRYFDKNRTKAFIR-DZGCQCFKSA-N 1 0 332.400 2.849 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCCC1 ZINC000289143325 474162934 /nfs/dbraw/zinc/16/29/34/474162934.db2.gz UPOYFUPMRXJCRV-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000188680721 474165122 /nfs/dbraw/zinc/16/51/22/474165122.db2.gz VIRUTBGVPPXBJD-UHFFFAOYSA-N 1 0 330.340 2.898 20 5 EFBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000275426227 474182087 /nfs/dbraw/zinc/18/20/87/474182087.db2.gz DYLDPXZICGRSEN-KBPBESRZSA-N 1 0 336.779 2.602 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000275442446 474185838 /nfs/dbraw/zinc/18/58/38/474185838.db2.gz KMPSVKDJOMOJKH-OAHLLOKOSA-N 1 0 344.371 2.961 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000270601113 474186473 /nfs/dbraw/zinc/18/64/73/474186473.db2.gz ARVNIZFQUSCLNG-LRDDRELGSA-N 1 0 338.404 2.992 20 5 EFBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247591509 474187071 /nfs/dbraw/zinc/18/70/71/474187071.db2.gz MNUJDIUFHUCQNK-WMLDXEAASA-N 1 0 330.388 2.753 20 5 EFBDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275442750 474188330 /nfs/dbraw/zinc/18/83/30/474188330.db2.gz FYKGXHWLWVYCIH-KBPBESRZSA-N 1 0 336.779 2.602 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289269972 474204709 /nfs/dbraw/zinc/20/47/09/474204709.db2.gz RFIFHJQEPPRTHE-XHDPSFHLSA-N 1 0 336.367 2.824 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275496737 474209175 /nfs/dbraw/zinc/20/91/75/474209175.db2.gz QFZMGKACQQIILQ-CYBMUJFWSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275496743 474210622 /nfs/dbraw/zinc/21/06/22/474210622.db2.gz QFZMGKACQQIILQ-ZDUSSCGKSA-N 1 0 334.420 2.748 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289308640 474219975 /nfs/dbraw/zinc/21/99/75/474219975.db2.gz AHMMTFICBJJATO-JQWIXIFHSA-N 1 0 338.795 2.997 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000289318468 474221316 /nfs/dbraw/zinc/22/13/16/474221316.db2.gz ULBHATNQCDFAPD-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182626891 474221422 /nfs/dbraw/zinc/22/14/22/474221422.db2.gz HBVQOMJWJVZURQ-AWEZNQCLSA-N 1 0 345.399 2.895 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247946622 474229999 /nfs/dbraw/zinc/22/99/99/474229999.db2.gz DOKIBMCYMYMEMP-XJKSGUPXSA-N 1 0 349.456 2.630 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000247971047 474235005 /nfs/dbraw/zinc/23/50/05/474235005.db2.gz HQIKAGHFDVKPHB-APWZRJJASA-N 1 0 342.395 2.954 20 5 EFBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000270718879 474235293 /nfs/dbraw/zinc/23/52/93/474235293.db2.gz NHEQJQGYDBSVFS-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000282947043 474250397 /nfs/dbraw/zinc/25/03/97/474250397.db2.gz YWJLHNIZTJAAEL-XJKSGUPXSA-N 1 0 347.415 2.550 20 5 EFBDRO Cc1nn2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])c(C)nc2s1 ZINC000289394252 474251828 /nfs/dbraw/zinc/25/18/28/474251828.db2.gz NXRMSQMANCOPMH-UHFFFAOYSA-N 1 0 345.428 2.990 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000175583622 474256427 /nfs/dbraw/zinc/25/64/27/474256427.db2.gz BUIKCYXYIRSOAC-UHFFFAOYSA-N 1 0 346.431 2.801 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000265575851 474258954 /nfs/dbraw/zinc/25/89/54/474258954.db2.gz OQTPBXMMLFNXGX-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO C[C@H]1C[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000231630168 474263792 /nfs/dbraw/zinc/26/37/92/474263792.db2.gz WFDCYOAPTHQXAZ-DTWKUNHWSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182829764 474266806 /nfs/dbraw/zinc/26/68/06/474266806.db2.gz TZDOOWGPGFXGSR-JKSUJKDBSA-N 1 0 333.432 2.618 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)cc1[N+](=O)[O-] ZINC000235972844 474269724 /nfs/dbraw/zinc/26/97/24/474269724.db2.gz AIBWFFQGAYXMED-MNOVXSKESA-N 1 0 340.221 2.996 20 5 EFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182848301 474270090 /nfs/dbraw/zinc/27/00/90/474270090.db2.gz BDXDSHBWZHMFOP-CHWSQXEVSA-N 1 0 346.431 2.560 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175659754 474275107 /nfs/dbraw/zinc/27/51/07/474275107.db2.gz HSVJTHKAXAIJQH-UHFFFAOYSA-N 1 0 346.431 2.801 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000189068108 474280971 /nfs/dbraw/zinc/28/09/71/474280971.db2.gz YHQLMJSGAOCZQZ-CABCVRRESA-N 1 0 347.415 2.611 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000182924176 474289013 /nfs/dbraw/zinc/28/90/13/474289013.db2.gz BNWFSRMOWOCFEY-KRWDZBQOSA-N 1 0 343.383 2.555 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000289490446 474294628 /nfs/dbraw/zinc/29/46/28/474294628.db2.gz JAIREVRYEKUKGT-ZACQAIPSSA-N 1 0 332.400 2.662 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248373546 474298145 /nfs/dbraw/zinc/29/81/45/474298145.db2.gz JRBJHKFHOJKZIW-DVOMOZLQSA-N 1 0 340.445 2.783 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000289518223 474306421 /nfs/dbraw/zinc/30/64/21/474306421.db2.gz VMDINDMXOJGXHQ-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO O=C(CC[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000189145508 474306960 /nfs/dbraw/zinc/30/69/60/474306960.db2.gz QWEMBBJPCSBSIN-KRWDZBQOSA-N 1 0 347.415 2.814 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000248399303 474306910 /nfs/dbraw/zinc/30/69/10/474306910.db2.gz VQRHKMFNJYJUNG-KYJSFNMBSA-N 1 0 347.459 2.962 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC000248415532 474315696 /nfs/dbraw/zinc/31/56/96/474315696.db2.gz IAGZZJRBPAIRRZ-AETAKHFUSA-N 1 0 334.416 2.845 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@@H]21 ZINC000248417177 474316228 /nfs/dbraw/zinc/31/62/28/474316228.db2.gz JHPIIKDHHKWCBP-KBRIMQKVSA-N 1 0 343.427 2.994 20 5 EFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000248425158 474318449 /nfs/dbraw/zinc/31/84/49/474318449.db2.gz NUXNLHOSOXBIDF-JSGCOSHPSA-N 1 0 341.839 2.525 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c2c(c1)COCO2 ZINC000189196904 474321583 /nfs/dbraw/zinc/32/15/83/474321583.db2.gz PCCOISYMYYBFFU-KRWDZBQOSA-N 1 0 348.399 2.852 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000248437828 474323235 /nfs/dbraw/zinc/32/32/35/474323235.db2.gz BOOAMFKYYFRZGR-IAGOWNOFSA-N 1 0 342.395 2.824 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265753912 474323840 /nfs/dbraw/zinc/32/38/40/474323840.db2.gz DDKOIYGHFDWNQO-SJORKVTESA-N 1 0 341.411 2.890 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270929027 474325266 /nfs/dbraw/zinc/32/52/66/474325266.db2.gz GPYDQCNNSCZJGT-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO COC[C@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265766868 474329006 /nfs/dbraw/zinc/32/90/06/474329006.db2.gz LEJBTZTVSZHLNV-LBPRGKRZSA-N 1 0 336.413 2.810 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000248453147 474329188 /nfs/dbraw/zinc/32/91/88/474329188.db2.gz JUUAMNOGLOTGNM-HOTGVXAUSA-N 1 0 343.383 2.567 20 5 EFBDRO COC[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773500 474331580 /nfs/dbraw/zinc/33/15/80/474331580.db2.gz JCBHCDIZEJWNFH-VXGBXAGGSA-N 1 0 332.360 2.674 20 5 EFBDRO C[S@@](=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183120084 474332543 /nfs/dbraw/zinc/33/25/43/474332543.db2.gz KTUGMBCEDJSHMU-IZHWHUGBSA-N 1 0 348.424 2.683 20 5 EFBDRO C[S@@](=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183120783 474332565 /nfs/dbraw/zinc/33/25/65/474332565.db2.gz OVDHFILXVKWQQR-UZUQRXQVSA-N 1 0 332.425 2.847 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289588423 474335790 /nfs/dbraw/zinc/33/57/90/474335790.db2.gz IFORYXVDERPTIE-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000275857145 474342424 /nfs/dbraw/zinc/34/24/24/474342424.db2.gz IOKOVGFFSQFRJY-CYBMUJFWSA-N 1 0 329.404 2.946 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1C ZINC000189270411 474343659 /nfs/dbraw/zinc/34/36/59/474343659.db2.gz OMOOZWFPDMYFOQ-AWEZNQCLSA-N 1 0 349.431 2.620 20 5 EFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183208261 474350509 /nfs/dbraw/zinc/35/05/09/474350509.db2.gz PXCFEKHNBQQSSW-HNNXBMFYSA-N 1 0 333.432 2.668 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000237186757 474354340 /nfs/dbraw/zinc/35/43/40/474354340.db2.gz TXCLTUIFCJNCGF-LSDHHAIUSA-N 1 0 349.387 2.618 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176000140 474360658 /nfs/dbraw/zinc/36/06/58/474360658.db2.gz DEMUWBCGQSBTKF-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248566408 474360797 /nfs/dbraw/zinc/36/07/97/474360797.db2.gz KWWZNUAORRQJNR-OCCSQVGLSA-N 1 0 337.395 2.828 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289667851 474370127 /nfs/dbraw/zinc/37/01/27/474370127.db2.gz GZQNOKSSPFAYOK-WBVHZDCISA-N 1 0 347.415 2.813 20 5 EFBDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271025866 474373206 /nfs/dbraw/zinc/37/32/06/474373206.db2.gz BDWHRVVFYUEJTQ-NWDGAFQWSA-N 1 0 325.434 2.580 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCSC1 ZINC000271025719 474373219 /nfs/dbraw/zinc/37/32/19/474373219.db2.gz BATRNUCFMMOSCJ-SWLSCSKDSA-N 1 0 342.486 2.923 20 5 EFBDRO O=C(CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676711 474374719 /nfs/dbraw/zinc/37/47/19/474374719.db2.gz VBMHHFWHMBGCCB-DOTOQJQBSA-N 1 0 345.399 2.567 20 5 EFBDRO COC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271035588 474377774 /nfs/dbraw/zinc/37/77/74/474377774.db2.gz IYRJKUDAPLQGPZ-UHFFFAOYSA-N 1 0 330.388 2.606 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289705082 474385966 /nfs/dbraw/zinc/38/59/66/474385966.db2.gz HJTXKGUSDPAPRL-GDBMZVCRSA-N 1 0 332.404 2.906 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176131087 474389781 /nfs/dbraw/zinc/38/97/81/474389781.db2.gz UVHLPKSGOOHSKD-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183536370 474389888 /nfs/dbraw/zinc/38/98/88/474389888.db2.gz YHBJYQHLBNTRNR-GXTWGEPZSA-N 1 0 344.371 2.558 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000271064011 474392558 /nfs/dbraw/zinc/39/25/58/474392558.db2.gz CPQJUFYYZXOHEN-CYBMUJFWSA-N 1 0 339.461 2.693 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nncn1CC ZINC000271067930 474393528 /nfs/dbraw/zinc/39/35/28/474393528.db2.gz DKJNPZBAXBRNOC-GFCCVEGCSA-N 1 0 335.433 2.867 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189443444 474399791 /nfs/dbraw/zinc/39/97/91/474399791.db2.gz ZMDKNOQPZXRSSW-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189445883 474399836 /nfs/dbraw/zinc/39/98/36/474399836.db2.gz QHFGWYYSMDWMPS-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189443465 474400305 /nfs/dbraw/zinc/40/03/05/474400305.db2.gz ZMDKNOQPZXRSSW-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237418851 474400402 /nfs/dbraw/zinc/40/04/02/474400402.db2.gz REZBNCIVEWLEAQ-CZUORRHYSA-N 1 0 327.384 2.650 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183627922 474402706 /nfs/dbraw/zinc/40/27/06/474402706.db2.gz SRXGZSWXTZUGGM-UHFFFAOYSA-N 1 0 337.424 2.822 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183641079 474404828 /nfs/dbraw/zinc/40/48/28/474404828.db2.gz NUZLIQXASCSQGT-BETUJISGSA-N 1 0 349.435 2.868 20 5 EFBDRO COC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000276066884 474406622 /nfs/dbraw/zinc/40/66/22/474406622.db2.gz RZGHYHQPCLXVCT-OCCSQVGLSA-N 1 0 331.372 2.692 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1C(F)(F)F ZINC000176202578 474407655 /nfs/dbraw/zinc/40/76/55/474407655.db2.gz UWRHXOPMZGUSAN-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000289752195 474408876 /nfs/dbraw/zinc/40/88/76/474408876.db2.gz KAHDYSMBRAFPOR-ZDUSSCGKSA-N 1 0 334.420 2.963 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000271161267 474411676 /nfs/dbraw/zinc/41/16/76/474411676.db2.gz QINQIERKMKAXRT-OAHLLOKOSA-N 1 0 347.419 2.614 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283470427 474411779 /nfs/dbraw/zinc/41/17/79/474411779.db2.gz IOTUXLWSPZHBSQ-CQSZACIVSA-N 1 0 337.395 2.862 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237527792 474422098 /nfs/dbraw/zinc/42/20/98/474422098.db2.gz QDZCQJJQZNPRHX-XJKSGUPXSA-N 1 0 334.420 2.515 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276132052 474427806 /nfs/dbraw/zinc/42/78/06/474427806.db2.gz CYKIYLLAAUCOLK-UHFFFAOYSA-N 1 0 341.411 2.558 20 5 EFBDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000271207727 474440108 /nfs/dbraw/zinc/44/01/08/474440108.db2.gz SPUNFQDOVSDSMU-OAHLLOKOSA-N 1 0 345.424 2.986 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cn2)c1 ZINC000189627777 474450795 /nfs/dbraw/zinc/45/07/95/474450795.db2.gz GVNMPWXYTUTENB-UHFFFAOYSA-N 1 0 330.388 2.567 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000248846363 474454543 /nfs/dbraw/zinc/45/45/43/474454543.db2.gz RXQLDXFTSITLAM-IUIKQTSFSA-N 1 0 349.431 2.623 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000289862554 474459925 /nfs/dbraw/zinc/45/99/25/474459925.db2.gz QPNFPKUIEVXSDW-HIFRSBDPSA-N 1 0 349.431 2.671 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000289867214 474462742 /nfs/dbraw/zinc/46/27/42/474462742.db2.gz RLIBQIGHIPXJRV-UHFFFAOYSA-N 1 0 332.404 2.859 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000266728908 474462958 /nfs/dbraw/zinc/46/29/58/474462958.db2.gz JUMMUUHTOCPUBL-LSDHHAIUSA-N 1 0 348.447 2.728 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176403645 474464327 /nfs/dbraw/zinc/46/43/27/474464327.db2.gz UOJBPSIIVVZOQC-CQSZACIVSA-N 1 0 336.436 2.995 20 5 EFBDRO C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289872778 474465007 /nfs/dbraw/zinc/46/50/07/474465007.db2.gz QVRDTFMQMSDXKA-IUODEOHRSA-N 1 0 339.823 2.543 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000276263449 474473603 /nfs/dbraw/zinc/47/36/03/474473603.db2.gz PDXSHECAHJLPEX-UHFFFAOYSA-N 1 0 345.374 2.768 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000248920007 474483674 /nfs/dbraw/zinc/48/36/74/474483674.db2.gz WMKJOHFFBRWNDZ-KBXCAEBGSA-N 1 0 339.395 2.845 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000176483934 474485971 /nfs/dbraw/zinc/48/59/71/474485971.db2.gz DAWVNOCZFHHIPL-NSHDSACASA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248941267 474487888 /nfs/dbraw/zinc/48/78/88/474487888.db2.gz YTURNJMEDXITEW-KBXCAEBGSA-N 1 0 339.395 2.845 20 5 EFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000266805196 474488464 /nfs/dbraw/zinc/48/84/64/474488464.db2.gz ONWBUWOCFYCPPM-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266825319 474495660 /nfs/dbraw/zinc/49/56/60/474495660.db2.gz CTQYZJRZPIULMD-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237925048 474504584 /nfs/dbraw/zinc/50/45/84/474504584.db2.gz YZBOVEWAPUTAOS-LBPRGKRZSA-N 1 0 346.412 2.590 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283839484 474509139 /nfs/dbraw/zinc/50/91/39/474509139.db2.gz AWQDWESCJRVANW-QWRGUYRKSA-N 1 0 346.353 2.712 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189948204 474515492 /nfs/dbraw/zinc/51/54/92/474515492.db2.gz LRVSCAJQRGLQRT-HUUCEWRRSA-N 1 0 335.448 2.741 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000176687629 474517409 /nfs/dbraw/zinc/51/74/09/474517409.db2.gz MJOLBCWXQWBXRT-CVEARBPZSA-N 1 0 332.404 2.536 20 5 EFBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609011272 480108965 /nfs/dbraw/zinc/10/89/65/480108965.db2.gz MNFTWVLAPPHGFX-UONOGXRCSA-N 1 0 349.431 2.525 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706364 474519468 /nfs/dbraw/zinc/51/94/68/474519468.db2.gz QFIKUDVCQOVBST-HZPDHXFCSA-N 1 0 334.420 2.782 20 5 EFBDRO CCc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000266892530 474520178 /nfs/dbraw/zinc/52/01/78/474520178.db2.gz FUVUMHQVJATJAO-UHFFFAOYSA-N 1 0 333.432 2.961 20 5 EFBDRO COc1ccc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000609016364 480109848 /nfs/dbraw/zinc/10/98/48/480109848.db2.gz UIMFGNNPSIRIFH-UHFFFAOYSA-N 1 0 349.431 2.525 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000189992099 474529994 /nfs/dbraw/zinc/52/99/94/474529994.db2.gz AQKIQGVULGVBQQ-STQMWFEESA-N 1 0 349.431 2.762 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000249113000 474530288 /nfs/dbraw/zinc/53/02/88/474530288.db2.gz WBWFYOXFQYITQO-DOMZBBRYSA-N 1 0 335.429 2.528 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000249112137 474530351 /nfs/dbraw/zinc/53/03/51/474530351.db2.gz RGXPJIKAHKHVJS-WWGRRREGSA-N 1 0 331.416 2.898 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000238090607 474532816 /nfs/dbraw/zinc/53/28/16/474532816.db2.gz HHIYUYVDBXZWIB-NSHDSACASA-N 1 0 346.412 2.529 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238118676 474536345 /nfs/dbraw/zinc/53/63/45/474536345.db2.gz LXRPVJMBLZIDOH-UHFFFAOYSA-N 1 0 345.403 2.513 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000238127587 474537000 /nfs/dbraw/zinc/53/70/00/474537000.db2.gz NSPNANDMAVVEML-UHFFFAOYSA-N 1 0 345.424 2.939 20 5 EFBDRO C[C@@H]1C(=O)N(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190091260 474545480 /nfs/dbraw/zinc/54/54/80/474545480.db2.gz HXLVUSHHAUPWCV-GFCCVEGCSA-N 1 0 329.356 2.517 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995728 474545914 /nfs/dbraw/zinc/54/59/14/474545914.db2.gz HOMYXQFZFSIIGC-JSGCOSHPSA-N 1 0 347.390 2.818 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284018919 474550645 /nfs/dbraw/zinc/55/06/45/474550645.db2.gz IRNDSBIDWOHZHV-APPDUMDISA-N 1 0 331.372 2.570 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284018925 474551077 /nfs/dbraw/zinc/55/10/77/474551077.db2.gz IRNDSBIDWOHZHV-PIGZYNQJSA-N 1 0 331.372 2.570 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290083718 474551591 /nfs/dbraw/zinc/55/15/91/474551591.db2.gz JBCBKSPSDXTIIP-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])C1 ZINC000284032467 474554801 /nfs/dbraw/zinc/55/48/01/474554801.db2.gz PIPIZPIVOBXGSD-CQSZACIVSA-N 1 0 349.431 2.797 20 5 EFBDRO CCC(CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])[NH+](C)C ZINC000190166201 474558046 /nfs/dbraw/zinc/55/80/46/474558046.db2.gz OJKFCMXNYUICNC-AWEZNQCLSA-N 1 0 338.408 2.555 20 5 EFBDRO COC(=O)c1cnc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000190166635 474558733 /nfs/dbraw/zinc/55/87/33/474558733.db2.gz WEQQZLKODBFNND-UHFFFAOYSA-N 1 0 336.392 2.501 20 5 EFBDRO C[C@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271478674 474565465 /nfs/dbraw/zinc/56/54/65/474565465.db2.gz LMJVVHDQDOUQKG-KBPBESRZSA-N 1 0 344.415 2.900 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000184653901 474575348 /nfs/dbraw/zinc/57/53/48/474575348.db2.gz SLBGTQHAOHJDMF-RDJZCZTQSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184677678 474582335 /nfs/dbraw/zinc/58/23/35/474582335.db2.gz BOCCGBRHJMWBGJ-MRXNPFEDSA-N 1 0 333.432 2.716 20 5 EFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184753408 474600907 /nfs/dbraw/zinc/60/09/07/474600907.db2.gz QCQCDYPIVPAIJL-CQSZACIVSA-N 1 0 347.371 2.802 20 5 EFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184753423 474601067 /nfs/dbraw/zinc/60/10/67/474601067.db2.gz QCQCDYPIVPAIJL-AWEZNQCLSA-N 1 0 347.371 2.802 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000184755142 474601263 /nfs/dbraw/zinc/60/12/63/474601263.db2.gz VCOOFXQIDPBNAF-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184784503 474608075 /nfs/dbraw/zinc/60/80/75/474608075.db2.gz NKDLHQBMGBHOCU-UHFFFAOYSA-N 1 0 341.415 2.891 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284281191 474609044 /nfs/dbraw/zinc/60/90/44/474609044.db2.gz XIXBREQWGJPWPK-CJNGLKHVSA-N 1 0 329.400 2.994 20 5 EFBDRO C[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184798086 474610304 /nfs/dbraw/zinc/61/03/04/474610304.db2.gz FYRZRZMPMRKHLW-CYBMUJFWSA-N 1 0 349.406 2.924 20 5 EFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284282669 474610642 /nfs/dbraw/zinc/61/06/42/474610642.db2.gz YDIJUZKKOQIOPK-INIZCTEOSA-N 1 0 337.376 2.876 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000267185903 474612085 /nfs/dbraw/zinc/61/20/85/474612085.db2.gz GKTOMICTWCQPEH-CYBMUJFWSA-N 1 0 348.403 2.695 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000267189700 474612842 /nfs/dbraw/zinc/61/28/42/474612842.db2.gz HCFGOLOOOUCEKC-HIFRSBDPSA-N 1 0 329.404 2.651 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000291547113 474615568 /nfs/dbraw/zinc/61/55/68/474615568.db2.gz AHYSLIXZPAGBMK-ZBFHGGJFSA-N 1 0 346.431 2.756 20 5 EFBDRO CS[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1[NH+]1CCCC1 ZINC000278348549 474616960 /nfs/dbraw/zinc/61/69/60/474616960.db2.gz JKYVTZDWPZBIJC-HOTGVXAUSA-N 1 0 348.472 2.579 20 5 EFBDRO CS[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1[NH+]1CCCC1 ZINC000278348552 474617383 /nfs/dbraw/zinc/61/73/83/474617383.db2.gz JKYVTZDWPZBIJC-HZPDHXFCSA-N 1 0 348.472 2.579 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000267209512 474618929 /nfs/dbraw/zinc/61/89/29/474618929.db2.gz HAYORSGYNYKZDQ-LLVKDONJSA-N 1 0 329.347 2.974 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000184846183 474618882 /nfs/dbraw/zinc/61/88/82/474618882.db2.gz BSTKBIWUBHPLFN-BPUTZDHNSA-N 1 0 345.443 2.905 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000609135513 480116255 /nfs/dbraw/zinc/11/62/55/480116255.db2.gz OLQUZUGDEJBUBO-OAHLLOKOSA-N 1 0 344.415 2.539 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267266678 474632840 /nfs/dbraw/zinc/63/28/40/474632840.db2.gz LMXKZYLSARLPQY-GJZGRUSLSA-N 1 0 346.431 2.772 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272885034 474633972 /nfs/dbraw/zinc/63/39/72/474633972.db2.gz YMCQDPKVXMBLKQ-KBPBESRZSA-N 1 0 346.431 2.914 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000609135889 480116890 /nfs/dbraw/zinc/11/68/90/480116890.db2.gz ZDXFAJGLJZGDSW-ZDUSSCGKSA-N 1 0 331.372 2.944 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000267272806 474634523 /nfs/dbraw/zinc/63/45/23/474634523.db2.gz IWPLLCAUNPWRQC-GOEBONIOSA-N 1 0 333.432 2.861 20 5 EFBDRO NC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272926364 474643079 /nfs/dbraw/zinc/64/30/79/474643079.db2.gz JLUVFFFEUMGACL-UHFFFAOYSA-N 1 0 325.796 2.726 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCOCC1 ZINC000291668921 474644785 /nfs/dbraw/zinc/64/47/85/474644785.db2.gz WDFDFSGITKNSPR-UHFFFAOYSA-N 1 0 348.230 2.714 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(O)CC(OCC)C2)cc1[N+](=O)[O-] ZINC000278439876 474645051 /nfs/dbraw/zinc/64/50/51/474645051.db2.gz KGDDCBJUIYLYQX-RFSCMCKOSA-N 1 0 338.404 2.574 20 5 EFBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1=CC[N@H+](C)CC1 ZINC000272940533 474646340 /nfs/dbraw/zinc/64/63/40/474646340.db2.gz LWBAVBZUQMZXOT-NSHDSACASA-N 1 0 330.388 2.542 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000272943931 474646652 /nfs/dbraw/zinc/64/66/52/474646652.db2.gz HKKHDBYREWATMU-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272949551 474648953 /nfs/dbraw/zinc/64/89/53/474648953.db2.gz MQGAMUDOHIOUDG-AWEZNQCLSA-N 1 0 331.416 2.900 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000291747348 474667042 /nfs/dbraw/zinc/66/70/42/474667042.db2.gz NOPSUOMKCQDEDH-AWEZNQCLSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1cc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000273019527 474674107 /nfs/dbraw/zinc/67/41/07/474674107.db2.gz RWFUMKIYLZWFBK-QGZVFWFLSA-N 1 0 330.388 2.539 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292853249 474677122 /nfs/dbraw/zinc/67/71/22/474677122.db2.gz SKHYBPQHSOVPEN-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273076512 474705052 /nfs/dbraw/zinc/70/50/52/474705052.db2.gz PQQDEEGWQBKNTM-ZWKOTPCHSA-N 1 0 347.415 2.779 20 5 EFBDRO CC[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155137 474707044 /nfs/dbraw/zinc/70/70/44/474707044.db2.gz VMCQBDZVIROHCR-ROUUACIJSA-N 1 0 335.448 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284661627 474712346 /nfs/dbraw/zinc/71/23/46/474712346.db2.gz FWRPHHFOTZYOCV-UHFFFAOYSA-N 1 0 335.360 2.896 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284663328 474712997 /nfs/dbraw/zinc/71/29/97/474712997.db2.gz GOHMJIIVAACFBR-GDBMZVCRSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000253282448 474719589 /nfs/dbraw/zinc/71/95/89/474719589.db2.gz ZLCYDHMTHXIKDR-CHWSQXEVSA-N 1 0 349.431 2.762 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344399813 474720260 /nfs/dbraw/zinc/72/02/60/474720260.db2.gz FYTZBRPPQMAMNA-LLVKDONJSA-N 1 0 327.812 2.637 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278594623 474725610 /nfs/dbraw/zinc/72/56/10/474725610.db2.gz AHPRQNUJDWIZJJ-CRPOECCBSA-N 1 0 334.416 2.837 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344412108 474730039 /nfs/dbraw/zinc/73/00/39/474730039.db2.gz CVVKGNYJCKAYPD-STQMWFEESA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000268009842 474750623 /nfs/dbraw/zinc/75/06/23/474750623.db2.gz DYYBDHSWSJSRTQ-UHFFFAOYSA-N 1 0 332.448 2.874 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273173702 474759527 /nfs/dbraw/zinc/75/95/27/474759527.db2.gz ICZBTIFNEASNMX-LLVKDONJSA-N 1 0 343.836 2.551 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000305742903 474763823 /nfs/dbraw/zinc/76/38/23/474763823.db2.gz SUWGTAXRWOJKJU-MLGOLLRUSA-N 1 0 331.372 2.843 20 5 EFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000305753029 474766753 /nfs/dbraw/zinc/76/67/53/474766753.db2.gz UCSVPGBWABWFTQ-OAHLLOKOSA-N 1 0 331.372 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000284777947 474767346 /nfs/dbraw/zinc/76/73/46/474767346.db2.gz NCWKCORSSCTFAA-GJZGRUSLSA-N 1 0 344.371 2.788 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000291977284 474783091 /nfs/dbraw/zinc/78/30/91/474783091.db2.gz WQSXDXRCWNMIKH-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254988599 474783486 /nfs/dbraw/zinc/78/34/86/474783486.db2.gz BFXAIHAKLBCPAY-WLMCBFPDSA-N 1 0 331.416 2.702 20 5 EFBDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000284821043 474785506 /nfs/dbraw/zinc/78/55/06/474785506.db2.gz UVIZLXMZRXUXPZ-RDJZCZTQSA-N 1 0 330.388 2.992 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255131007 474809771 /nfs/dbraw/zinc/80/97/71/474809771.db2.gz ODWXNSOAFISCFC-KVPUOBJLSA-N 1 0 331.416 2.845 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1sccc1C[NH+](C)C ZINC000268150136 474829413 /nfs/dbraw/zinc/82/94/13/474829413.db2.gz RGZXDYZWJVCCKX-UHFFFAOYSA-N 1 0 333.413 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000311234511 474835693 /nfs/dbraw/zinc/83/56/93/474835693.db2.gz SLBCGGJUCLRICT-DLBZAZTESA-N 1 0 338.411 2.948 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000311234514 474837030 /nfs/dbraw/zinc/83/70/30/474837030.db2.gz SLBCGGJUCLRICT-SJORKVTESA-N 1 0 338.411 2.948 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293153082 474842193 /nfs/dbraw/zinc/84/21/93/474842193.db2.gz BYKYGPCIKGKSDR-KDOFPFPSSA-N 1 0 346.431 2.701 20 5 EFBDRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273331550 474846296 /nfs/dbraw/zinc/84/62/96/474846296.db2.gz ZLBGUFTYUWDUPH-CQSZACIVSA-N 1 0 347.371 2.884 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255377183 474846514 /nfs/dbraw/zinc/84/65/14/474846514.db2.gz QWKHMHRVOJNECU-FPLPWBNLSA-N 1 0 331.416 2.798 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163845 474847001 /nfs/dbraw/zinc/84/70/01/474847001.db2.gz COKBSBROJVBACR-KBPBESRZSA-N 1 0 340.445 2.721 20 5 EFBDRO CN(CCC[NH+]1CCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000337273102 474849046 /nfs/dbraw/zinc/84/90/46/474849046.db2.gz OWMAYLPCDDEAIY-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284977873 474850449 /nfs/dbraw/zinc/85/04/49/474850449.db2.gz GAHZFDGZMVKSMJ-OCCSQVGLSA-N 1 0 327.388 2.502 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339027304 474851189 /nfs/dbraw/zinc/85/11/89/474851189.db2.gz LSAJFCKWXJYECR-MRXNPFEDSA-N 1 0 340.383 2.991 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339027302 474851334 /nfs/dbraw/zinc/85/13/34/474851334.db2.gz LSAJFCKWXJYECR-INIZCTEOSA-N 1 0 340.383 2.991 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273350941 474855025 /nfs/dbraw/zinc/85/50/25/474855025.db2.gz CLUTVJSGFJYGEF-GFCCVEGCSA-N 1 0 338.383 2.930 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cnn(C)c1 ZINC000273363964 474860587 /nfs/dbraw/zinc/86/05/87/474860587.db2.gz JVNHJPCSLXLDCU-GFCCVEGCSA-N 1 0 341.371 2.877 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000292127796 474863703 /nfs/dbraw/zinc/86/37/03/474863703.db2.gz XJJOWOPWDHUHHL-AWEZNQCLSA-N 1 0 336.436 2.857 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](CO)CC3)co2)cc1 ZINC000293209423 474868375 /nfs/dbraw/zinc/86/83/75/474868375.db2.gz RDKGSDGVVBDVCN-ZDUSSCGKSA-N 1 0 331.372 2.844 20 5 EFBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000337295195 474869217 /nfs/dbraw/zinc/86/92/17/474869217.db2.gz PVTRGTNPSUDTEX-UHFFFAOYSA-N 1 0 342.399 2.502 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000273383581 474872180 /nfs/dbraw/zinc/87/21/80/474872180.db2.gz ISUSMLWTRIBCHV-AWEZNQCLSA-N 1 0 348.447 2.509 20 5 EFBDRO O=C1CCCN1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255573200 474875862 /nfs/dbraw/zinc/87/58/62/474875862.db2.gz FEULBHQDYWPHGS-UTCJRWHESA-N 1 0 329.400 2.695 20 5 EFBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000278856976 474876595 /nfs/dbraw/zinc/87/65/95/474876595.db2.gz GCTBEGPJOUBXFK-AWEZNQCLSA-N 1 0 338.795 2.764 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000273409269 474883299 /nfs/dbraw/zinc/88/32/99/474883299.db2.gz HNZXJWBZFPKISR-QGZVFWFLSA-N 1 0 341.415 2.794 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255625797 474883666 /nfs/dbraw/zinc/88/36/66/474883666.db2.gz RROREMJECCFTGA-JXMNSVBMSA-N 1 0 331.416 2.941 20 5 EFBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285078972 474884996 /nfs/dbraw/zinc/88/49/96/474884996.db2.gz JMAJBWLIJRSYKE-APPDUMDISA-N 1 0 333.363 2.874 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268250591 474887389 /nfs/dbraw/zinc/88/73/89/474887389.db2.gz ZGKAHNLIKMAFGT-HNNXBMFYSA-N 1 0 347.415 2.836 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422140 474889537 /nfs/dbraw/zinc/88/95/37/474889537.db2.gz JWJMSZHAFVXUQY-DOTOQJQBSA-N 1 0 348.378 2.783 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293250828 474891193 /nfs/dbraw/zinc/89/11/93/474891193.db2.gz TZCDSDOIAXRMPS-OLZOCXBDSA-N 1 0 346.387 2.800 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293250821 474891555 /nfs/dbraw/zinc/89/15/55/474891555.db2.gz TZCDSDOIAXRMPS-CHWSQXEVSA-N 1 0 346.387 2.800 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000268274747 474901479 /nfs/dbraw/zinc/90/14/79/474901479.db2.gz XDWIRSGKJRUYHH-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO CC(C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000320250455 474910319 /nfs/dbraw/zinc/91/03/19/474910319.db2.gz IBZJQAIVVTUPPF-OAHLLOKOSA-N 1 0 340.855 2.932 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCCCO ZINC000278913617 474912567 /nfs/dbraw/zinc/91/25/67/474912567.db2.gz QSEVIMSOAYAGCK-LLVKDONJSA-N 1 0 343.811 2.670 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000273468222 474914349 /nfs/dbraw/zinc/91/43/49/474914349.db2.gz NYCRDERKQQWHAC-UHFFFAOYSA-N 1 0 326.372 2.974 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000321388358 474924842 /nfs/dbraw/zinc/92/48/42/474924842.db2.gz ODZVCCHBVHUMDK-OAHLLOKOSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000292261118 474928332 /nfs/dbraw/zinc/92/83/32/474928332.db2.gz YQDQPAMXNISOET-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO COc1cc(C[N@H+](C)CCCCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000278947612 474936421 /nfs/dbraw/zinc/93/64/21/474936421.db2.gz VGPLDPJTXLSSMJ-UHFFFAOYSA-N 1 0 348.346 2.799 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccncc2OCC[NH+](C)C)n1 ZINC000341066299 474936796 /nfs/dbraw/zinc/93/67/96/474936796.db2.gz HIYDKTRTSQXJIB-UHFFFAOYSA-N 1 0 345.403 2.554 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000345173295 474960535 /nfs/dbraw/zinc/96/05/35/474960535.db2.gz MQBBVPQYZUWNIL-KGLIPLIRSA-N 1 0 348.447 2.652 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000345173302 474961271 /nfs/dbraw/zinc/96/12/71/474961271.db2.gz MQBBVPQYZUWNIL-ZIAGYGMSSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293405290 474963827 /nfs/dbraw/zinc/96/38/27/474963827.db2.gz MVGRBAMQYOQPCT-LLVKDONJSA-N 1 0 343.811 2.651 20 5 EFBDRO NC(=O)c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000292328292 474963906 /nfs/dbraw/zinc/96/39/06/474963906.db2.gz WDVGSMZHXZTOSS-UHFFFAOYSA-N 1 0 343.358 2.997 20 5 EFBDRO Cc1ccsc1CNC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285305605 474964882 /nfs/dbraw/zinc/96/48/82/474964882.db2.gz LOURFNNKQHCGJU-UHFFFAOYSA-N 1 0 347.440 2.755 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000337393888 474972459 /nfs/dbraw/zinc/97/24/59/474972459.db2.gz DWGTWXOAAGBTJM-UHFFFAOYSA-N 1 0 343.387 2.586 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345802 474974208 /nfs/dbraw/zinc/97/42/08/474974208.db2.gz XETOKZJSHLQQNM-CXAGYDPISA-N 1 0 327.384 2.650 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000324690721 474974894 /nfs/dbraw/zinc/97/48/94/474974894.db2.gz SUWCFZNNOTWIPG-GFCCVEGCSA-N 1 0 328.372 2.979 20 5 EFBDRO COc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000324829629 474978094 /nfs/dbraw/zinc/97/80/94/474978094.db2.gz BVNIVFGVZJQCKE-UHFFFAOYSA-N 1 0 330.384 2.987 20 5 EFBDRO [NH3+]C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCCC1 ZINC000261588426 474987945 /nfs/dbraw/zinc/98/79/45/474987945.db2.gz KDOIKKNGFOFMRC-UHFFFAOYSA-N 1 0 329.198 2.826 20 5 EFBDRO Cc1nnc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268459743 474991992 /nfs/dbraw/zinc/99/19/92/474991992.db2.gz KPNHAJKOSJESEB-CQSZACIVSA-N 1 0 345.403 2.670 20 5 EFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000273617127 474992608 /nfs/dbraw/zinc/99/26/08/474992608.db2.gz NSBBKYSLMFLMKH-MRXNPFEDSA-N 1 0 327.388 2.942 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609310259 480142618 /nfs/dbraw/zinc/14/26/18/480142618.db2.gz YKRGSUJICHPUDJ-ZDUSSCGKSA-N 1 0 342.399 2.823 20 5 EFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337419587 474998195 /nfs/dbraw/zinc/99/81/95/474998195.db2.gz ARQGJYLAWGLKJQ-MEBBXXQBSA-N 1 0 326.780 2.879 20 5 EFBDRO Cc1c(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000261626397 475001117 /nfs/dbraw/zinc/00/11/17/475001117.db2.gz GUHVAVIFGKVRRL-GUYCJALGSA-N 1 0 327.384 2.856 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(CO)CC1 ZINC000268480058 475005000 /nfs/dbraw/zinc/00/50/00/475005000.db2.gz ZWHUNJRUFHFORY-UHFFFAOYSA-N 1 0 349.431 2.715 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000273673679 475006555 /nfs/dbraw/zinc/00/65/55/475006555.db2.gz YCIHMPOJNOGBSZ-UHFFFAOYSA-N 1 0 342.403 2.579 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337429986 475009146 /nfs/dbraw/zinc/00/91/46/475009146.db2.gz FPFGEDVVQDOAPU-PXAZEXFGSA-N 1 0 336.388 2.625 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337429987 475009713 /nfs/dbraw/zinc/00/97/13/475009713.db2.gz FPFGEDVVQDOAPU-SJCJKPOMSA-N 1 0 336.388 2.625 20 5 EFBDRO CCOc1cc(N2CC[NH+]([C@@H](C)CCOC)CC2)ccc1[N+](=O)[O-] ZINC000280137573 475011594 /nfs/dbraw/zinc/01/15/94/475011594.db2.gz BQQBEZRWPQGILO-AWEZNQCLSA-N 1 0 337.420 2.541 20 5 EFBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000268507775 475020413 /nfs/dbraw/zinc/02/04/13/475020413.db2.gz BUGRBGDQVNOYPM-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609291214 480139129 /nfs/dbraw/zinc/13/91/29/480139129.db2.gz NPHPMRFOYIMBGY-ZFWWWQNUSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1c(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)cccc1[N+](=O)[O-] ZINC000327885312 475025256 /nfs/dbraw/zinc/02/52/56/475025256.db2.gz UJJVRHJRPNWONA-CYBMUJFWSA-N 1 0 338.371 2.730 20 5 EFBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000285749790 475038172 /nfs/dbraw/zinc/03/81/72/475038172.db2.gz QUWBBHUFLQGEBJ-PBHICJAKSA-N 1 0 327.384 2.840 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000261727055 475041574 /nfs/dbraw/zinc/04/15/74/475041574.db2.gz RGWMNXHBXCUSOK-UHFFFAOYSA-N 1 0 327.384 2.595 20 5 EFBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000337479061 475055183 /nfs/dbraw/zinc/05/51/83/475055183.db2.gz ZTBJPMMFHANZKA-YVEFUNNKSA-N 1 0 336.388 2.625 20 5 EFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000286304617 475060371 /nfs/dbraw/zinc/06/03/71/475060371.db2.gz DOWRGPHSHCYHOZ-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000292506066 475062028 /nfs/dbraw/zinc/06/20/28/475062028.db2.gz XSQJOZIVMNHXSB-CYBMUJFWSA-N 1 0 331.416 2.850 20 5 EFBDRO CSC[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292558224 475087227 /nfs/dbraw/zinc/08/72/27/475087227.db2.gz ZEJZIMIYAKDCCR-ZDUSSCGKSA-N 1 0 337.445 2.917 20 5 EFBDRO CSC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292558219 475087511 /nfs/dbraw/zinc/08/75/11/475087511.db2.gz ZEJZIMIYAKDCCR-CYBMUJFWSA-N 1 0 337.445 2.917 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)CCC1 ZINC000261941806 475121474 /nfs/dbraw/zinc/12/14/74/475121474.db2.gz MUMYNOGWLGOSCY-UHFFFAOYSA-N 1 0 339.149 2.745 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000269003465 475122228 /nfs/dbraw/zinc/12/22/28/475122228.db2.gz PURIXINPNRWBQL-NHYWBVRUSA-N 1 0 347.371 2.537 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000269012505 475125827 /nfs/dbraw/zinc/12/58/27/475125827.db2.gz NGZYJWOVIQKIHN-SWLSCSKDSA-N 1 0 343.383 2.897 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000337559857 475126625 /nfs/dbraw/zinc/12/66/25/475126625.db2.gz ZRTQFYAXXCNGJD-OAHLLOKOSA-N 1 0 349.431 2.988 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281236524 475128449 /nfs/dbraw/zinc/12/84/49/475128449.db2.gz VAOJZOHUQREJLC-OAHLLOKOSA-N 1 0 338.429 2.529 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000345364112 475128507 /nfs/dbraw/zinc/12/85/07/475128507.db2.gz YNIIQIXJAABPLG-INIZCTEOSA-N 1 0 344.415 2.528 20 5 EFBDRO C[NH2+][C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261989318 475136472 /nfs/dbraw/zinc/13/64/72/475136472.db2.gz KDKBYPVUMNWKKQ-CYBMUJFWSA-N 1 0 332.429 2.902 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421547 475139568 /nfs/dbraw/zinc/13/95/68/475139568.db2.gz KBYITMICJMBIEB-UNEWFSDZSA-N 1 0 344.415 2.680 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962923 475139836 /nfs/dbraw/zinc/13/98/36/475139836.db2.gz GPYAIJQXJROYOS-BXUZGUMPSA-N 1 0 334.376 2.702 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287456712 475154824 /nfs/dbraw/zinc/15/48/24/475154824.db2.gz QZYCQMIDBGWOMW-ZDUSSCGKSA-N 1 0 337.807 2.693 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)cc1 ZINC000341584893 475165862 /nfs/dbraw/zinc/16/58/62/475165862.db2.gz MKFZGUSKHGTBGE-UHFFFAOYSA-N 1 0 335.791 2.932 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000609346131 480151244 /nfs/dbraw/zinc/15/12/44/480151244.db2.gz OAGMVQZBQINIFF-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000341620443 475189433 /nfs/dbraw/zinc/18/94/33/475189433.db2.gz RTQCERLPIAUQDY-UHFFFAOYSA-N 1 0 329.400 2.915 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000339394997 475192176 /nfs/dbraw/zinc/19/21/76/475192176.db2.gz RVEBWHCBFSJZMC-CQSZACIVSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339399332 475195499 /nfs/dbraw/zinc/19/54/99/475195499.db2.gz ZIPXPHMCBOGYKR-LBPRGKRZSA-N 1 0 343.343 2.945 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000345452775 475200871 /nfs/dbraw/zinc/20/08/71/475200871.db2.gz DDEMQUNNRYYTIT-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OC(C)C ZINC000341653851 475207246 /nfs/dbraw/zinc/20/72/46/475207246.db2.gz FGXFIKGJXXRHPA-CYBMUJFWSA-N 1 0 348.403 2.938 20 5 EFBDRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296183196 475217753 /nfs/dbraw/zinc/21/77/53/475217753.db2.gz LKBUZVDRKCJOKN-HOTGVXAUSA-N 1 0 349.431 2.739 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000347318999 475226604 /nfs/dbraw/zinc/22/66/04/475226604.db2.gz VUOJNQIGPHMJTK-XHDPSFHLSA-N 1 0 336.367 2.682 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000339462921 475230648 /nfs/dbraw/zinc/23/06/48/475230648.db2.gz MQQPKMRIILAGFU-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325684 475231976 /nfs/dbraw/zinc/23/19/76/475231976.db2.gz HQBGKJFLBLLKBT-CJNGLKHVSA-N 1 0 348.334 2.710 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000296274718 475248956 /nfs/dbraw/zinc/24/89/56/475248956.db2.gz MOQIDJHEMQKTPK-UHFFFAOYSA-N 1 0 334.420 2.660 20 5 EFBDRO COc1ccc(OCC[N@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296279341 475250902 /nfs/dbraw/zinc/25/09/02/475250902.db2.gz YZHXLMNMVIEHDP-INIZCTEOSA-N 1 0 338.404 2.729 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000609385854 480156123 /nfs/dbraw/zinc/15/61/23/480156123.db2.gz FWOYQEJNANMBDF-CQSZACIVSA-N 1 0 345.403 2.607 20 5 EFBDRO Cc1c(NC(=O)CCN2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386091 480156213 /nfs/dbraw/zinc/15/62/13/480156213.db2.gz KLXGYJSLRIMBSO-HNNXBMFYSA-N 1 0 348.447 2.694 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262558863 475258958 /nfs/dbraw/zinc/25/89/58/475258958.db2.gz UUTIYIRNJIFOBD-CYBMUJFWSA-N 1 0 325.796 2.756 20 5 EFBDRO CC(=O)NCC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370364 475272818 /nfs/dbraw/zinc/27/28/18/475272818.db2.gz VFHIHEPEBGTSNS-UVTDQMKNSA-N 1 0 331.416 2.846 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000347371715 475273052 /nfs/dbraw/zinc/27/30/52/475273052.db2.gz VSXVOPUKJWFXBX-BAAYTWLHSA-N 1 0 331.416 2.976 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361214313 475275005 /nfs/dbraw/zinc/27/50/05/475275005.db2.gz VYVCYRCQIOJNRJ-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361214514 475276211 /nfs/dbraw/zinc/27/62/11/475276211.db2.gz VYVCYRCQIOJNRJ-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000347373904 475277144 /nfs/dbraw/zinc/27/71/44/475277144.db2.gz MOTIXMUZXLFLTK-RCBBPTIPSA-N 1 0 344.415 2.534 20 5 EFBDRO COc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354596396 475278369 /nfs/dbraw/zinc/27/83/69/475278369.db2.gz NCFFKYHBZKOEHT-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000347380977 475281310 /nfs/dbraw/zinc/28/13/10/475281310.db2.gz SQMBUYJAMGUXMT-KPKJPENVSA-N 1 0 326.356 2.552 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000347381446 475282293 /nfs/dbraw/zinc/28/22/93/475282293.db2.gz WNGJPSKTLWBUKA-XHDPSFHLSA-N 1 0 325.434 2.897 20 5 EFBDRO COCC[N@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000354608465 475287587 /nfs/dbraw/zinc/28/75/87/475287587.db2.gz RWTLAPXNEMLGRJ-MRXNPFEDSA-N 1 0 345.403 2.506 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347397293 475295932 /nfs/dbraw/zinc/29/59/32/475295932.db2.gz FNACCQGBARZAGP-KBPBESRZSA-N 1 0 343.431 2.740 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCO[C@@H]21 ZINC000296407618 475301584 /nfs/dbraw/zinc/30/15/84/475301584.db2.gz VBCNGFZUICSOFA-CFVMTHIKSA-N 1 0 344.371 2.548 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361256363 475306846 /nfs/dbraw/zinc/30/68/46/475306846.db2.gz BPMHYLZSNKQFIB-ZDUSSCGKSA-N 1 0 331.420 2.777 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296468387 475329273 /nfs/dbraw/zinc/32/92/73/475329273.db2.gz XSLMDVWLZKWVGI-IAOVAPTHSA-N 1 0 347.415 2.635 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000354684966 475336374 /nfs/dbraw/zinc/33/63/74/475336374.db2.gz NXPHAELGQDTUIQ-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCC[NH3+])CC1CCCC1 ZINC000352489342 475344363 /nfs/dbraw/zinc/34/43/63/475344363.db2.gz ZYTIIIDEWALVFU-UHFFFAOYSA-N 1 0 348.447 2.683 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341841526 475346543 /nfs/dbraw/zinc/34/65/43/475346543.db2.gz HKMLAMJOTTWQMS-ZDUSSCGKSA-N 1 0 334.420 2.760 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000345665670 475349240 /nfs/dbraw/zinc/34/92/40/475349240.db2.gz LGXOVHGTDZPNCD-ZDUSSCGKSA-N 1 0 342.399 2.605 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358047748 475360685 /nfs/dbraw/zinc/36/06/85/475360685.db2.gz MLHWDWMFJBCWOJ-CYBMUJFWSA-N 1 0 335.379 2.606 20 5 EFBDRO CSCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505110 475361219 /nfs/dbraw/zinc/36/12/19/475361219.db2.gz XXAQALGIBKQSKN-TZMCWYRMSA-N 1 0 339.461 2.764 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337848350 475374079 /nfs/dbraw/zinc/37/40/79/475374079.db2.gz ILCVTXSAYJSAAK-ZOHQOTHLSA-N 1 0 329.400 2.741 20 5 EFBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337853049 475378364 /nfs/dbraw/zinc/37/83/64/475378364.db2.gz KBEUZJIXWLFQAJ-SWLSCSKDSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296590063 475385614 /nfs/dbraw/zinc/38/56/14/475385614.db2.gz WZBMFWCTCNKYEH-SGMGOOAPSA-N 1 0 332.404 2.580 20 5 EFBDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000331719666 475389382 /nfs/dbraw/zinc/38/93/82/475389382.db2.gz JSYSSJFFYYXULM-CQSZACIVSA-N 1 0 335.379 2.568 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358094060 475395266 /nfs/dbraw/zinc/39/52/66/475395266.db2.gz MVYTYFPOESNGMY-NWDGAFQWSA-N 1 0 337.395 2.610 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331732747 475396796 /nfs/dbraw/zinc/39/67/96/475396796.db2.gz QWABGQYASPICOB-INIZCTEOSA-N 1 0 331.416 2.738 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000361377916 475398716 /nfs/dbraw/zinc/39/87/16/475398716.db2.gz LGANQRWGKZHGSH-GFCCVEGCSA-N 1 0 341.371 2.849 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331737978 475399411 /nfs/dbraw/zinc/39/94/11/475399411.db2.gz USPGGZRYWCIJFG-HUUCEWRRSA-N 1 0 331.416 2.990 20 5 EFBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000339677566 475401955 /nfs/dbraw/zinc/40/19/55/475401955.db2.gz OGOGTQHWYZGTGC-GFCCVEGCSA-N 1 0 347.337 2.771 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000348116481 475403167 /nfs/dbraw/zinc/40/31/67/475403167.db2.gz JZWIFBNEQXWELS-UONOGXRCSA-N 1 0 349.431 2.986 20 5 EFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1C ZINC000358112428 475409908 /nfs/dbraw/zinc/40/99/08/475409908.db2.gz QOUVKOUJEZJIQI-UHFFFAOYSA-N 1 0 349.431 2.906 20 5 EFBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000339689014 475411842 /nfs/dbraw/zinc/41/18/42/475411842.db2.gz YVWAVPPVRBWEHM-NSHDSACASA-N 1 0 333.310 2.746 20 5 EFBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000339689013 475412780 /nfs/dbraw/zinc/41/27/80/475412780.db2.gz YVWAVPPVRBWEHM-LLVKDONJSA-N 1 0 333.310 2.746 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296651472 475412769 /nfs/dbraw/zinc/41/27/69/475412769.db2.gz DGFJMYZRGUCKPU-WBVHZDCISA-N 1 0 333.432 2.941 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[N@@H+]1C ZINC000345750742 475419057 /nfs/dbraw/zinc/41/90/57/475419057.db2.gz OHPWTCQFYNTGEB-DYVFJYSZSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[N@@H+]1C ZINC000345750743 475419523 /nfs/dbraw/zinc/41/95/23/475419523.db2.gz OHPWTCQFYNTGEB-GUYCJALGSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348146036 475425428 /nfs/dbraw/zinc/42/54/28/475425428.db2.gz MOKGWKFFAUAKCJ-WDEREUQCSA-N 1 0 341.795 2.591 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000296682820 475427407 /nfs/dbraw/zinc/42/74/07/475427407.db2.gz BQXZJWVVCCTGKP-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706646 475429846 /nfs/dbraw/zinc/42/98/46/475429846.db2.gz VTJBCCSNVDUYTA-KBXCAEBGSA-N 1 0 349.431 2.652 20 5 EFBDRO Cc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000348163629 475440618 /nfs/dbraw/zinc/44/06/18/475440618.db2.gz CBHJSYBTBPSAJZ-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EFBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830027 475442558 /nfs/dbraw/zinc/44/25/58/475442558.db2.gz JJVQVFULIFSRBX-OLZOCXBDSA-N 1 0 345.374 2.903 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345778188 475443295 /nfs/dbraw/zinc/44/32/95/475443295.db2.gz LEOMHAFAWVTKMK-PBHICJAKSA-N 1 0 348.447 2.998 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339732187 475452031 /nfs/dbraw/zinc/45/20/31/475452031.db2.gz ZDQRKUVTAOQLKF-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO CC(C)N(C(=O)[C@@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000352620876 475464070 /nfs/dbraw/zinc/46/40/70/475464070.db2.gz JDVBECDSECSGQN-CQSZACIVSA-N 1 0 349.431 2.823 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000341981979 475474691 /nfs/dbraw/zinc/47/46/91/475474691.db2.gz CLYYWUUDDNJGBL-LJQANCHMSA-N 1 0 325.412 2.954 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CCOCC4)CC3)nc2c1 ZINC000341984714 475476930 /nfs/dbraw/zinc/47/69/30/475476930.db2.gz FBKHIWWCYLOBPG-UHFFFAOYSA-N 1 0 330.388 2.864 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331991476 475478700 /nfs/dbraw/zinc/47/87/00/475478700.db2.gz XZANBAPXPPGXFL-OGHNNQOOSA-N 1 0 349.406 2.923 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000296791809 475479842 /nfs/dbraw/zinc/47/98/42/475479842.db2.gz OFKHLBYHGIZMLG-XHDPSFHLSA-N 1 0 337.807 2.723 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000345824527 475484867 /nfs/dbraw/zinc/48/48/67/475484867.db2.gz WZUBHVANKLAKAK-HOTGVXAUSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296809036 475485670 /nfs/dbraw/zinc/48/56/70/475485670.db2.gz LVKYWEWBEKUNCN-KEYYUXOJSA-N 1 0 346.431 2.924 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345834995 475491761 /nfs/dbraw/zinc/49/17/61/475491761.db2.gz BZCDSUAGZMJYTF-JKSUJKDBSA-N 1 0 343.383 2.859 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337999763 475495838 /nfs/dbraw/zinc/49/58/38/475495838.db2.gz LDKKEASVESTYGB-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000342002133 475496219 /nfs/dbraw/zinc/49/62/19/475496219.db2.gz DQQYTWCHNSZCOW-LLVKDONJSA-N 1 0 325.434 2.775 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352656515 475498137 /nfs/dbraw/zinc/49/81/37/475498137.db2.gz AXGLSRZATHUKFY-SWHYSGLUSA-N 1 0 332.360 2.551 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@H]1O ZINC000352660279 475502239 /nfs/dbraw/zinc/50/22/39/475502239.db2.gz RKWUWAQBOCXWIM-LSDHHAIUSA-N 1 0 331.372 2.638 20 5 EFBDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000361503761 475503076 /nfs/dbraw/zinc/50/30/76/475503076.db2.gz PBLLJVRUSZDHAM-BBRMVZONSA-N 1 0 332.404 2.536 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000361503762 475503474 /nfs/dbraw/zinc/50/34/74/475503474.db2.gz PBLLJVRUSZDHAM-CJNGLKHVSA-N 1 0 332.404 2.536 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361508120 475505193 /nfs/dbraw/zinc/50/51/93/475505193.db2.gz IXZYAGDQKJMZST-AWEZNQCLSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000332113645 475517067 /nfs/dbraw/zinc/51/70/67/475517067.db2.gz HCTUQPVDERDPSD-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000361524521 475519861 /nfs/dbraw/zinc/51/98/61/475519861.db2.gz AOJKUVPZCPCEDI-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339811238 475524123 /nfs/dbraw/zinc/52/41/23/475524123.db2.gz JDIZZLDPYASAKU-MRXNPFEDSA-N 1 0 335.404 2.670 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000354927979 475529595 /nfs/dbraw/zinc/52/95/95/475529595.db2.gz SNBZKILCSOLZHX-UHFFFAOYSA-N 1 0 334.372 2.523 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296926868 475537962 /nfs/dbraw/zinc/53/79/62/475537962.db2.gz ZNHDSRREFHZXSQ-FZMZJTMJSA-N 1 0 338.383 2.893 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(c2cccnn2)CC1 ZINC000352695711 475540201 /nfs/dbraw/zinc/54/02/01/475540201.db2.gz ZYFDNHGXKLBVGO-UHFFFAOYSA-N 1 0 345.378 2.625 20 5 EFBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572075 475559335 /nfs/dbraw/zinc/55/93/35/475559335.db2.gz CGPJEUVTTUEZPU-MNOVXSKESA-N 1 0 343.811 2.932 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000339861723 475569096 /nfs/dbraw/zinc/56/90/96/475569096.db2.gz OYBLLIKLFXOKDP-NWANDNLSSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251144 475575199 /nfs/dbraw/zinc/57/51/99/475575199.db2.gz UFEQWEFPENCCKW-STQMWFEESA-N 1 0 331.420 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000361590760 475576553 /nfs/dbraw/zinc/57/65/53/475576553.db2.gz JYHHMQFDTRTZMS-GOSISDBHSA-N 1 0 330.359 2.870 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332259834 475579040 /nfs/dbraw/zinc/57/90/40/475579040.db2.gz AXXUWPXEXAGPIZ-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1c([N+](=O)[O-])ncn1C ZINC000348306069 475579768 /nfs/dbraw/zinc/57/97/68/475579768.db2.gz WWSZLQMLWYTRGB-MRXNPFEDSA-N 1 0 345.447 2.575 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000348310759 475583697 /nfs/dbraw/zinc/58/36/97/475583697.db2.gz RFCDVERARWNLBG-CYBMUJFWSA-N 1 0 336.413 2.921 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CCSC)cc1[N+](=O)[O-] ZINC000358315897 475585767 /nfs/dbraw/zinc/58/57/67/475585767.db2.gz HRLKMCXILWDAEH-AAEUAGOBSA-N 1 0 328.434 2.758 20 5 EFBDRO COCCCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000348317034 475587132 /nfs/dbraw/zinc/58/71/32/475587132.db2.gz GHZSORCCCBJPOQ-HNNXBMFYSA-N 1 0 332.404 2.976 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346427599 475600174 /nfs/dbraw/zinc/60/01/74/475600174.db2.gz VGVKERQVNGFLRM-RNCFNFMXSA-N 1 0 345.321 2.826 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000348360680 475618070 /nfs/dbraw/zinc/61/80/70/475618070.db2.gz QTWSDCNCMANCQO-HNNXBMFYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332388304 475623665 /nfs/dbraw/zinc/62/36/65/475623665.db2.gz CHFYQECYEHQJQS-UKRRQHHQSA-N 1 0 349.406 2.924 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332394371 475624906 /nfs/dbraw/zinc/62/49/06/475624906.db2.gz NXYBBPDGRJWFTA-QGZVFWFLSA-N 1 0 346.475 2.980 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432533 475635553 /nfs/dbraw/zinc/63/55/53/475635553.db2.gz HTFSYLUKYQQNQQ-SOUVJXGZSA-N 1 0 346.431 2.924 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000358389504 475640881 /nfs/dbraw/zinc/64/08/81/475640881.db2.gz FMJKFUCQIYNOLB-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358400007 475650331 /nfs/dbraw/zinc/65/03/31/475650331.db2.gz VSBALRKOWDEPGZ-UHFFFAOYSA-N 1 0 325.384 2.516 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342890340 475651016 /nfs/dbraw/zinc/65/10/16/475651016.db2.gz WUBUHVKZENMSJC-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[C@H]21 ZINC000342895446 475652855 /nfs/dbraw/zinc/65/28/55/475652855.db2.gz CPBMPBGWFWMXRH-IUODEOHRSA-N 1 0 342.399 2.632 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358418760 475663591 /nfs/dbraw/zinc/66/35/91/475663591.db2.gz HPKCBTKGDSJSGD-ZDUSSCGKSA-N 1 0 339.411 2.903 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000297234574 475669731 /nfs/dbraw/zinc/66/97/31/475669731.db2.gz UHOHKBUPJSRHNB-CYBMUJFWSA-N 1 0 344.415 2.930 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332577172 475674109 /nfs/dbraw/zinc/67/41/09/475674109.db2.gz GKLSCFCFYHOIFJ-KGLIPLIRSA-N 1 0 349.456 2.772 20 5 EFBDRO CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000338226387 475689917 /nfs/dbraw/zinc/68/99/17/475689917.db2.gz UXIOBGCKAIHFHH-BPUTZDHNSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631102 475694159 /nfs/dbraw/zinc/69/41/59/475694159.db2.gz UWATUAMXEHCHDD-VNHYZAJKSA-N 1 0 349.406 2.923 20 5 EFBDRO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000343031437 475709702 /nfs/dbraw/zinc/70/97/02/475709702.db2.gz AQRZOYQKZUILGN-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000353147940 475719894 /nfs/dbraw/zinc/71/98/94/475719894.db2.gz FSJKVDAJVFIHBI-ALCCZGGFSA-N 1 0 329.356 2.810 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000348519891 475719915 /nfs/dbraw/zinc/71/99/15/475719915.db2.gz GKRZOKMHIGFUJD-QWHCGFSZSA-N 1 0 343.330 2.673 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361755442 475724531 /nfs/dbraw/zinc/72/45/31/475724531.db2.gz QRWWSEWGNJIFPX-IVMMDQJWSA-N 1 0 335.404 2.777 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000361757123 475724857 /nfs/dbraw/zinc/72/48/57/475724857.db2.gz WSPAWYBXOZKROD-YOEHRIQHSA-N 1 0 348.447 2.652 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000343061239 475730869 /nfs/dbraw/zinc/73/08/69/475730869.db2.gz CBVXYLFVSGALMH-GOEBONIOSA-N 1 0 345.443 2.815 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348535224 475734576 /nfs/dbraw/zinc/73/45/76/475734576.db2.gz QMBIAGUGJAMPAR-WCQYABFASA-N 1 0 343.330 2.592 20 5 EFBDRO COCCC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338274825 475734868 /nfs/dbraw/zinc/73/48/68/475734868.db2.gz IFJQGROIWSQDKG-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348535222 475735800 /nfs/dbraw/zinc/73/58/00/475735800.db2.gz QMBIAGUGJAMPAR-AAEUAGOBSA-N 1 0 343.330 2.592 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cccc1[N+](=O)[O-] ZINC000353167192 475739352 /nfs/dbraw/zinc/73/93/52/475739352.db2.gz MCCMESCZGWZRLO-UHFFFAOYSA-N 1 0 327.340 2.638 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3OC(F)F)nc2c1 ZINC000348540237 475740136 /nfs/dbraw/zinc/74/01/36/475740136.db2.gz UYPDZYIIVKNBCV-PWSUYJOCSA-N 1 0 326.303 2.721 20 5 EFBDRO Cc1cccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000355210288 475746972 /nfs/dbraw/zinc/74/69/72/475746972.db2.gz BIHAMZYRVZDLBN-CQSZACIVSA-N 1 0 342.399 2.848 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000340091021 475751137 /nfs/dbraw/zinc/75/11/37/475751137.db2.gz XANBXPYXMXHRDX-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(F)c1 ZINC000353191904 475758915 /nfs/dbraw/zinc/75/89/15/475758915.db2.gz LAFOVIZMUDXOIF-SJLPKXTDSA-N 1 0 330.359 2.990 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000348567482 475761491 /nfs/dbraw/zinc/76/14/91/475761491.db2.gz BZFVFRGGNUYUEY-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000353205704 475770268 /nfs/dbraw/zinc/77/02/68/475770268.db2.gz FSMBAPCPVTVFPZ-UHFFFAOYSA-N 1 0 348.399 2.817 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1COC[C@@H]1O ZINC000348631472 475785626 /nfs/dbraw/zinc/78/56/26/475785626.db2.gz DJXRXRIRYSZKRJ-CABCVRRESA-N 1 0 334.397 2.515 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000355271648 475791133 /nfs/dbraw/zinc/79/11/33/475791133.db2.gz YSVGSRZVVRPPEC-INIZCTEOSA-N 1 0 349.431 2.744 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1COC[C@@H]1O ZINC000348648711 475799561 /nfs/dbraw/zinc/79/95/61/475799561.db2.gz RNFCUUAGTPHFNL-CABCVRRESA-N 1 0 334.397 2.515 20 5 EFBDRO Cc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000361841274 475800329 /nfs/dbraw/zinc/80/03/29/475800329.db2.gz CLOYIWSDZSTMSC-GOSISDBHSA-N 1 0 342.395 2.701 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000297542816 475800539 /nfs/dbraw/zinc/80/05/39/475800539.db2.gz QBYCMMDOLCQULW-HNNXBMFYSA-N 1 0 349.431 2.700 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000297542825 475801685 /nfs/dbraw/zinc/80/16/85/475801685.db2.gz QBYCMMDOLCQULW-OAHLLOKOSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1[nH]nc2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc12 ZINC000348669693 475809095 /nfs/dbraw/zinc/80/90/95/475809095.db2.gz HHYQBXRMAGACQY-UHFFFAOYSA-N 1 0 325.372 2.849 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000338347499 475811653 /nfs/dbraw/zinc/81/16/53/475811653.db2.gz JETGAYSQGCHTEF-UHFFFAOYSA-N 1 0 341.411 2.791 20 5 EFBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccnc1 ZINC000361865626 475821985 /nfs/dbraw/zinc/82/19/85/475821985.db2.gz OYLXXHGUAOMUFD-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000338361935 475825700 /nfs/dbraw/zinc/82/57/00/475825700.db2.gz SBTXYKSANLSJGT-SFHVURJKSA-N 1 0 339.395 2.875 20 5 EFBDRO Cc1nc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297618532 475830346 /nfs/dbraw/zinc/83/03/46/475830346.db2.gz WGWJIBKAQCGXEV-MRXNPFEDSA-N 1 0 341.415 2.794 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000297650338 475842487 /nfs/dbraw/zinc/84/24/87/475842487.db2.gz FBKAEWOSHISGBW-UHFFFAOYSA-N 1 0 325.796 2.723 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000348752268 475848892 /nfs/dbraw/zinc/84/88/92/475848892.db2.gz GWIRPTCDFABDQY-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000361906847 475857927 /nfs/dbraw/zinc/85/79/27/475857927.db2.gz JFTGRWFVYDLPOF-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361924401 475869296 /nfs/dbraw/zinc/86/92/96/475869296.db2.gz NGRHWTFAFNMFJE-OAHLLOKOSA-N 1 0 328.372 2.720 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000355366610 475872268 /nfs/dbraw/zinc/87/22/68/475872268.db2.gz NXXFEHLPBXNXSS-UHFFFAOYSA-N 1 0 340.383 2.525 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805338 475874667 /nfs/dbraw/zinc/87/46/67/475874667.db2.gz IFTVPKSWGSCFBA-QWHCGFSZSA-N 1 0 326.418 2.521 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000338408865 475876483 /nfs/dbraw/zinc/87/64/83/475876483.db2.gz KPDBSNVIPVVBPK-UONOGXRCSA-N 1 0 349.431 2.986 20 5 EFBDRO COCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358738242 475895823 /nfs/dbraw/zinc/89/58/23/475895823.db2.gz DIAQZWRKDKFQIV-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000353362667 475903237 /nfs/dbraw/zinc/90/32/37/475903237.db2.gz FTKWXLJMYMYQKX-DOTOQJQBSA-N 1 0 349.475 2.995 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C[NH3+])C1 ZINC000346855783 475916131 /nfs/dbraw/zinc/91/61/31/475916131.db2.gz VRTDCCONMPVWDE-HZPDHXFCSA-N 1 0 345.399 2.793 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343286303 475921288 /nfs/dbraw/zinc/92/12/88/475921288.db2.gz XTXKCHNLZKQBRS-NEPJUHHUSA-N 1 0 337.445 2.919 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000338460189 475926150 /nfs/dbraw/zinc/92/61/50/475926150.db2.gz XXFPOOQLAYUPRN-QWHCGFSZSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000338468534 475934773 /nfs/dbraw/zinc/93/47/73/475934773.db2.gz DHVZKWPANOAGPQ-ZDUSSCGKSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353397854 475936752 /nfs/dbraw/zinc/93/67/52/475936752.db2.gz YCVDQCDFHANCJD-NSHDSACASA-N 1 0 327.340 2.777 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346888715 475938990 /nfs/dbraw/zinc/93/89/90/475938990.db2.gz BRINGLJDXGGSLI-CQSZACIVSA-N 1 0 333.432 2.861 20 5 EFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021177 475942535 /nfs/dbraw/zinc/94/25/35/475942535.db2.gz YSWTYDQGGGLQCN-DOTOQJQBSA-N 1 0 338.404 2.666 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000343327111 475952811 /nfs/dbraw/zinc/95/28/11/475952811.db2.gz ALFJNOAHEVAAFX-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000346921841 475964229 /nfs/dbraw/zinc/96/42/29/475964229.db2.gz WMESJORQRFKNES-AWEZNQCLSA-N 1 0 334.420 2.749 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000343355843 475980370 /nfs/dbraw/zinc/98/03/70/475980370.db2.gz ZFWKCHNZVHBAKN-UHFFFAOYSA-N 1 0 335.429 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346968629 475998019 /nfs/dbraw/zinc/99/80/19/475998019.db2.gz LGFGDRDQFBZKIL-HZPDHXFCSA-N 1 0 343.383 2.567 20 5 EFBDRO Cc1c(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000355520908 476003286 /nfs/dbraw/zinc/00/32/86/476003286.db2.gz HMJGIIBGWABZJG-XYPWUTKMSA-N 1 0 346.431 2.670 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)c2ccccc2)c1 ZINC000340414642 476020119 /nfs/dbraw/zinc/02/01/19/476020119.db2.gz ILUFYGZCVTXFPG-GBESFXJTSA-N 1 0 342.395 2.814 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343400980 476028357 /nfs/dbraw/zinc/02/83/57/476028357.db2.gz LCWNVRNQJFVGIE-CABCVRRESA-N 1 0 334.351 2.570 20 5 EFBDRO CC[NH+](CC)C[C@H](C)N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516684 476036961 /nfs/dbraw/zinc/03/69/61/476036961.db2.gz JCILKKNWPDZGIP-YOEHRIQHSA-N 1 0 345.447 2.738 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000343408093 476037325 /nfs/dbraw/zinc/03/73/25/476037325.db2.gz WZTPICBIQLBOBF-HZPDHXFCSA-N 1 0 330.388 2.739 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000340444113 476039534 /nfs/dbraw/zinc/03/95/34/476039534.db2.gz JUNKIWMRKYQSSL-KRWDZBQOSA-N 1 0 339.395 2.794 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC000362162335 476041870 /nfs/dbraw/zinc/04/18/70/476041870.db2.gz LOYLKKKHXSNZFT-YOEHRIQHSA-N 1 0 349.431 2.695 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC000362162332 476042237 /nfs/dbraw/zinc/04/22/37/476042237.db2.gz LOYLKKKHXSNZFT-PBHICJAKSA-N 1 0 349.431 2.695 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000338609686 476051822 /nfs/dbraw/zinc/05/18/22/476051822.db2.gz HFDAQGMMWFOJHH-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340477726 476058497 /nfs/dbraw/zinc/05/84/97/476058497.db2.gz CSRIHVCGKXOKMU-UHFFFAOYSA-N 1 0 334.420 2.842 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccncn2)CC1 ZINC000298353168 476065943 /nfs/dbraw/zinc/06/59/43/476065943.db2.gz MQQJJUCMJZBNQT-UHFFFAOYSA-N 1 0 328.372 2.643 20 5 EFBDRO COc1ncccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353551242 476068006 /nfs/dbraw/zinc/06/80/06/476068006.db2.gz UYORTOLHOBWBDN-LSDHHAIUSA-N 1 0 345.403 2.511 20 5 EFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC[N@@H+]1C ZINC000343451706 476073043 /nfs/dbraw/zinc/07/30/43/476073043.db2.gz GDIJWKNILMVXEB-DZGCQCFKSA-N 1 0 326.400 2.973 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000298382811 476075960 /nfs/dbraw/zinc/07/59/60/476075960.db2.gz NZBGKBQVHZZIGD-LBPRGKRZSA-N 1 0 333.413 2.966 20 5 EFBDRO COc1cc(C[NH2+]CCC2CCC(OC)CC2)c([N+](=O)[O-])cc1O ZINC000350177950 476081796 /nfs/dbraw/zinc/08/17/96/476081796.db2.gz XONALSORIYTUPP-UHFFFAOYSA-N 1 0 338.404 2.994 20 5 EFBDRO C[C@H]1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343614392 476093132 /nfs/dbraw/zinc/09/31/32/476093132.db2.gz YFEDLUSPTMIOFQ-WPRPVWTQSA-N 1 0 329.198 2.647 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000338679071 476107052 /nfs/dbraw/zinc/10/70/52/476107052.db2.gz VKOOHHCMQAUCKY-OKILXGFUSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298484719 476110618 /nfs/dbraw/zinc/11/06/18/476110618.db2.gz HURAPDCSYYNKRE-LBPRGKRZSA-N 1 0 325.434 2.898 20 5 EFBDRO CCC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000338696067 476116349 /nfs/dbraw/zinc/11/63/49/476116349.db2.gz SBTBPXUEQHRFLN-AWEZNQCLSA-N 1 0 337.420 2.541 20 5 EFBDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000353611322 476123668 /nfs/dbraw/zinc/12/36/68/476123668.db2.gz CDJFHXCPRLFBJF-SNVBAGLBSA-N 1 0 346.330 2.673 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000356764006 476128362 /nfs/dbraw/zinc/12/83/62/476128362.db2.gz JQWKHASHTIRGIT-AWEZNQCLSA-N 1 0 348.447 2.654 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000336793144 476130690 /nfs/dbraw/zinc/13/06/90/476130690.db2.gz VOUFGPGYZMJOIW-IRXDYDNUSA-N 1 0 338.411 2.948 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000338728284 476139847 /nfs/dbraw/zinc/13/98/47/476139847.db2.gz OMBOFMLAUMOAET-MRXNPFEDSA-N 1 0 330.384 2.639 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCc2occc2C1 ZINC000344237811 476171486 /nfs/dbraw/zinc/17/14/86/476171486.db2.gz OSFPTGBQHIYFTO-UHFFFAOYSA-N 1 0 329.356 2.883 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000357031882 476174253 /nfs/dbraw/zinc/17/42/53/476174253.db2.gz CTZDTNLJNQNNQG-KBPBESRZSA-N 1 0 344.415 2.817 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000347227425 476186521 /nfs/dbraw/zinc/18/65/21/476186521.db2.gz IUDGHKSQAVMNHS-UHFFFAOYSA-N 1 0 346.362 2.987 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051324 476189314 /nfs/dbraw/zinc/18/93/14/476189314.db2.gz MZLUGOBTLIHPSF-ZIAGYGMSSA-N 1 0 344.440 2.760 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1c1nccn1C ZINC000344258225 476191200 /nfs/dbraw/zinc/19/12/00/476191200.db2.gz YMRGOFHDSVJATN-UKPHBRMFSA-N 1 0 344.415 2.769 20 5 EFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000344270199 476204290 /nfs/dbraw/zinc/20/42/90/476204290.db2.gz MWIHFZIUFASCKB-LRDDRELGSA-N 1 0 331.372 2.917 20 5 EFBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000350487326 476209436 /nfs/dbraw/zinc/20/94/36/476209436.db2.gz ZHACHXBDSIKAGV-HZPDHXFCSA-N 1 0 349.431 2.695 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)s1 ZINC000353718750 476215548 /nfs/dbraw/zinc/21/55/48/476215548.db2.gz ZNTGIGYHHQFBBE-QWHCGFSZSA-N 1 0 348.424 2.953 20 5 EFBDRO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000344285396 476217053 /nfs/dbraw/zinc/21/70/53/476217053.db2.gz KKYDUDWDQBFGCO-RCBQFDQVSA-N 1 0 334.420 2.828 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357108864 476238731 /nfs/dbraw/zinc/23/87/31/476238731.db2.gz HJRUYZWCHBEUTE-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCc3ccncc3)CC2)c1 ZINC000347300856 476241859 /nfs/dbraw/zinc/24/18/59/476241859.db2.gz RMXCSAOYGWUXPW-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]2C ZINC000359538372 476246941 /nfs/dbraw/zinc/24/69/41/476246941.db2.gz AWUJSQQHLHEGAQ-CHWSQXEVSA-N 1 0 330.388 2.808 20 5 EFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]2C ZINC000359544837 476247334 /nfs/dbraw/zinc/24/73/34/476247334.db2.gz XJZWNZPGYMNEDB-CHWSQXEVSA-N 1 0 330.388 2.808 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)cs1 ZINC000344323199 476250266 /nfs/dbraw/zinc/25/02/66/476250266.db2.gz ZFMAMBPDWOEPPW-TZMCWYRMSA-N 1 0 342.367 2.983 20 5 EFBDRO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312725 476251666 /nfs/dbraw/zinc/25/16/66/476251666.db2.gz DLNZDWBMYPDFOC-PBHICJAKSA-N 1 0 344.371 2.879 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC2(C)CCCC2)cc1[N+](=O)[O-] ZINC000353760919 476252641 /nfs/dbraw/zinc/25/26/41/476252641.db2.gz BWJKTIXHBFSUMK-UHFFFAOYSA-N 1 0 336.388 2.817 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313896 476252711 /nfs/dbraw/zinc/25/27/11/476252711.db2.gz DQTZULPAONJTGI-BBRMVZONSA-N 1 0 330.344 2.571 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000304210701 476269414 /nfs/dbraw/zinc/26/94/14/476269414.db2.gz DRJODPSHTBXCTJ-INIZCTEOSA-N 1 0 334.372 2.970 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000362467419 476269514 /nfs/dbraw/zinc/26/95/14/476269514.db2.gz GHMXXPQERAPYDW-QGZVFWFLSA-N 1 0 341.411 2.711 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304310357 476277683 /nfs/dbraw/zinc/27/76/83/476277683.db2.gz KFXDNROUFZQRSC-WMZOPIPTSA-N 1 0 344.415 2.636 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000360059898 476288360 /nfs/dbraw/zinc/28/83/60/476288360.db2.gz RALJXCUOBPWOPO-FZMZJTMJSA-N 1 0 330.388 2.925 20 5 EFBDRO C[NH+](C)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000353846026 476299241 /nfs/dbraw/zinc/29/92/41/476299241.db2.gz PLMUFSAPEQPOQW-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000360580243 476308066 /nfs/dbraw/zinc/30/80/66/476308066.db2.gz FQROBEIBUQOSBX-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000357267175 476309067 /nfs/dbraw/zinc/30/90/67/476309067.db2.gz VVZBJQGFKVXHTC-AWEZNQCLSA-N 1 0 348.447 2.973 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357298876 476321315 /nfs/dbraw/zinc/32/13/15/476321315.db2.gz FFGIIMVWHNRTEX-CYBMUJFWSA-N 1 0 329.404 2.706 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000357306623 476324438 /nfs/dbraw/zinc/32/44/38/476324438.db2.gz NWZDPHKQLSPRLI-QGZVFWFLSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978486 476344597 /nfs/dbraw/zinc/34/45/97/476344597.db2.gz LJECUCBTDKYJSI-UKPHBRMFSA-N 1 0 344.415 2.680 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354005844 476356704 /nfs/dbraw/zinc/35/67/04/476356704.db2.gz IQGJCRDPKWQOBR-OLZOCXBDSA-N 1 0 337.445 2.628 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000363389447 476359376 /nfs/dbraw/zinc/35/93/76/476359376.db2.gz COXZNBLGDHARIR-LLVKDONJSA-N 1 0 337.807 2.995 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000360787364 476386744 /nfs/dbraw/zinc/38/67/44/476386744.db2.gz NEUQIOWAECMQMO-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000363450216 476390722 /nfs/dbraw/zinc/39/07/22/476390722.db2.gz PHYSGKZSTHCGSC-MRXNPFEDSA-N 1 0 340.383 2.553 20 5 EFBDRO COc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099036 476425310 /nfs/dbraw/zinc/42/53/10/476425310.db2.gz AQYOSHGQUGBNKJ-MRXNPFEDSA-N 1 0 333.432 2.767 20 5 EFBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522879 476430084 /nfs/dbraw/zinc/43/00/84/476430084.db2.gz KNGNMWSAXLJTEY-UONOGXRCSA-N 1 0 335.404 2.731 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377534532 476439230 /nfs/dbraw/zinc/43/92/30/476439230.db2.gz UONNMBSOMDXKRI-HNNXBMFYSA-N 1 0 333.388 2.806 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000360895937 476462324 /nfs/dbraw/zinc/46/23/24/476462324.db2.gz BBQZJJYRJWCRRU-UHFFFAOYSA-N 1 0 331.416 2.884 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360896561 476462365 /nfs/dbraw/zinc/46/23/65/476462365.db2.gz IJHGYYHTBXZJSA-AWEZNQCLSA-N 1 0 343.431 2.830 20 5 EFBDRO COc1cc(NCC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000357577679 476467545 /nfs/dbraw/zinc/46/75/45/476467545.db2.gz GSGWBJGKYMBQOD-UHFFFAOYSA-N 1 0 325.434 2.843 20 5 EFBDRO Cc1ccc2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2c1 ZINC000369683226 476477264 /nfs/dbraw/zinc/47/72/64/476477264.db2.gz KFYAIFWMZQIOJT-UHFFFAOYSA-N 1 0 340.387 2.585 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000369691544 476480958 /nfs/dbraw/zinc/48/09/58/476480958.db2.gz FAUKRYWAKKUFOS-UHFFFAOYSA-N 1 0 346.387 2.646 20 5 EFBDRO CNc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000360945237 476494169 /nfs/dbraw/zinc/49/41/69/476494169.db2.gz QVSSZONYLFHIKM-AWEZNQCLSA-N 1 0 348.447 2.734 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362946914 476496645 /nfs/dbraw/zinc/49/66/45/476496645.db2.gz DKKMQGLOFUDXJI-QWHCGFSZSA-N 1 0 337.807 2.534 20 5 EFBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377660844 476505545 /nfs/dbraw/zinc/50/55/45/476505545.db2.gz AELYJWMONLSOQL-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000357639914 476506548 /nfs/dbraw/zinc/50/65/48/476506548.db2.gz XZSULXYHKKTKJF-UHFFFAOYSA-N 1 0 335.429 2.699 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000360962108 476507746 /nfs/dbraw/zinc/50/77/46/476507746.db2.gz XABRQNACUGHJQW-VNHYZAJKSA-N 1 0 335.452 2.961 20 5 EFBDRO CCNC(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000362998466 476521640 /nfs/dbraw/zinc/52/16/40/476521640.db2.gz XANVVDVAIFDNJF-GXDHUFHOSA-N 1 0 331.416 2.894 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000374770451 476521924 /nfs/dbraw/zinc/52/19/24/476521924.db2.gz XJKVFRMVVQESBD-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000374781270 476525995 /nfs/dbraw/zinc/52/59/95/476525995.db2.gz UVSVKSFUMWEKOT-MRXNPFEDSA-N 1 0 330.388 2.816 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363027138 476534916 /nfs/dbraw/zinc/53/49/16/476534916.db2.gz UVGYGFGZSZHBRF-DOTOQJQBSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2(CCC2)N1 ZINC000374808883 476537949 /nfs/dbraw/zinc/53/79/49/476537949.db2.gz OJJVLKBOUMERQX-HOTGVXAUSA-N 1 0 329.400 2.763 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000377733505 476552140 /nfs/dbraw/zinc/55/21/40/476552140.db2.gz XCUKZIVRZKYPSO-AWEZNQCLSA-N 1 0 336.779 2.771 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377744082 476557059 /nfs/dbraw/zinc/55/70/59/476557059.db2.gz LCWUAOBLPATSKR-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO O=[N+]([O-])c1ccccc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000361043850 476562433 /nfs/dbraw/zinc/56/24/33/476562433.db2.gz IOYIMPZPVUYWGM-KRWDZBQOSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000357735607 476567252 /nfs/dbraw/zinc/56/72/52/476567252.db2.gz YLXOMFAKZVJPOU-KGLIPLIRSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000357737928 476568685 /nfs/dbraw/zinc/56/86/85/476568685.db2.gz GCJZBWIWWSUBIM-KBPBESRZSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1cccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000361054525 476569193 /nfs/dbraw/zinc/56/91/93/476569193.db2.gz UIIAOACGKHVBGE-GOSISDBHSA-N 1 0 327.384 2.774 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000357774415 476593319 /nfs/dbraw/zinc/59/33/19/476593319.db2.gz KPNZLFHAQRMHGM-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000369937602 476594848 /nfs/dbraw/zinc/59/48/48/476594848.db2.gz BIYYANRRLLRGRO-GFCCVEGCSA-N 1 0 326.368 2.991 20 5 EFBDRO CNc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361118703 476613522 /nfs/dbraw/zinc/61/35/22/476613522.db2.gz WPRHVCVUHVVLIB-INIZCTEOSA-N 1 0 342.399 2.669 20 5 EFBDRO CNc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361144938 476633932 /nfs/dbraw/zinc/63/39/32/476633932.db2.gz MJLBFHSCHVJBPX-OLZOCXBDSA-N 1 0 334.420 2.629 20 5 EFBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370045473 476647058 /nfs/dbraw/zinc/64/70/58/476647058.db2.gz LXTYYJWGOJDUKU-AWEZNQCLSA-N 1 0 330.388 2.544 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000357853603 476649484 /nfs/dbraw/zinc/64/94/84/476649484.db2.gz ZNDBFTKGZPXOSM-NHYWBVRUSA-N 1 0 337.395 2.610 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354417776 476650063 /nfs/dbraw/zinc/65/00/63/476650063.db2.gz DJSUDGSDYSHQBA-GJZGRUSLSA-N 1 0 348.447 2.728 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620643 476650131 /nfs/dbraw/zinc/65/01/31/476650131.db2.gz CULPFLBTAXELHS-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363321233 476651759 /nfs/dbraw/zinc/65/17/59/476651759.db2.gz ONUIDPZGCQNDHZ-GOEBONIOSA-N 1 0 346.431 2.756 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658232 476665421 /nfs/dbraw/zinc/66/54/21/476665421.db2.gz DOFSGHFVIRWBMO-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000375083634 476672950 /nfs/dbraw/zinc/67/29/50/476672950.db2.gz GTISZPYSCKQUKL-NSHDSACASA-N 1 0 338.795 2.950 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000370132752 476675976 /nfs/dbraw/zinc/67/59/76/476675976.db2.gz XKPSKDZVNIAIAT-IMJJTQAJSA-N 1 0 346.431 2.890 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000370132596 476676065 /nfs/dbraw/zinc/67/60/65/476676065.db2.gz XKPSKDZVNIAIAT-BPUTZDHNSA-N 1 0 346.431 2.890 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370132753 476676090 /nfs/dbraw/zinc/67/60/90/476676090.db2.gz XKPSKDZVNIAIAT-NUEKZKHPSA-N 1 0 346.431 2.890 20 5 EFBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451869406 476689873 /nfs/dbraw/zinc/68/98/73/476689873.db2.gz RHGUCXFLGHDTPI-HZPDHXFCSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704577 476690992 /nfs/dbraw/zinc/69/09/92/476690992.db2.gz PGZCSAPYUNENHU-OCCSQVGLSA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000441519764 476693004 /nfs/dbraw/zinc/69/30/04/476693004.db2.gz VRUGNPOVGQASTE-GOSISDBHSA-N 1 0 346.431 2.619 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000378350608 476695198 /nfs/dbraw/zinc/69/51/98/476695198.db2.gz SXHWLWVNLUGAOP-BQYQJAHWSA-N 1 0 329.400 2.695 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000421863586 476696513 /nfs/dbraw/zinc/69/65/13/476696513.db2.gz WRLOVMDPZUBHJO-GFCCVEGCSA-N 1 0 337.445 2.711 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000429864771 476706017 /nfs/dbraw/zinc/70/60/17/476706017.db2.gz WTEDJRVWUCIJBS-KGLIPLIRSA-N 1 0 331.416 2.615 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000370229460 476710262 /nfs/dbraw/zinc/71/02/62/476710262.db2.gz BKYNCLZCBWZIPX-AWEZNQCLSA-N 1 0 347.415 2.659 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451904306 476713802 /nfs/dbraw/zinc/71/38/02/476713802.db2.gz RIZYULFNXZFQQU-UHFFFAOYSA-N 1 0 337.468 2.661 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000422636128 476726399 /nfs/dbraw/zinc/72/63/99/476726399.db2.gz VEKALXAEMFNKOY-HNNXBMFYSA-N 1 0 331.416 2.673 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000422741713 476753971 /nfs/dbraw/zinc/75/39/71/476753971.db2.gz QDKUKFICCSHBPI-UHFFFAOYSA-N 1 0 335.404 2.775 20 5 EFBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000452009781 476773719 /nfs/dbraw/zinc/77/37/19/476773719.db2.gz AILCEHKZPQVXFS-SHTZXODSSA-N 1 0 330.388 2.678 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000375325705 476780365 /nfs/dbraw/zinc/78/03/65/476780365.db2.gz HJICXFLYAOHFDR-UHFFFAOYSA-N 1 0 337.379 2.983 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422828779 476799239 /nfs/dbraw/zinc/79/92/39/476799239.db2.gz BFKYMKQFMFVHFX-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422876447 476824201 /nfs/dbraw/zinc/82/42/01/476824201.db2.gz FURNJPCFWGFGSP-NEPJUHHUSA-N 1 0 335.429 2.673 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC([NH3+])(CC)CC ZINC000422878512 476824994 /nfs/dbraw/zinc/82/49/94/476824994.db2.gz KBZXRLOBLSXAAZ-UHFFFAOYSA-N 1 0 325.434 2.954 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000392540893 476826325 /nfs/dbraw/zinc/82/63/25/476826325.db2.gz TZHXCNKLIPVROD-MRXNPFEDSA-N 1 0 330.384 2.741 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422893144 476830955 /nfs/dbraw/zinc/83/09/55/476830955.db2.gz OZZZQGBBHTYOQE-LLVKDONJSA-N 1 0 343.836 2.551 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422894022 476831868 /nfs/dbraw/zinc/83/18/68/476831868.db2.gz BJBPFGAMWCIYJR-AWEZNQCLSA-N 1 0 330.388 2.588 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)n1 ZINC000366046131 476832512 /nfs/dbraw/zinc/83/25/12/476832512.db2.gz ZFKVZRCWLSBJCY-UHFFFAOYSA-N 1 0 326.360 2.505 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000422904514 476840096 /nfs/dbraw/zinc/84/00/96/476840096.db2.gz QJAVUUFLMXECMV-LLVKDONJSA-N 1 0 325.434 2.954 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000457037788 476840419 /nfs/dbraw/zinc/84/04/19/476840419.db2.gz BZCIEGXVBCTAIY-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397347522 476854094 /nfs/dbraw/zinc/85/40/94/476854094.db2.gz SOXHUOSFZIVOAJ-CKYFFXLPSA-N 1 0 325.796 2.694 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457066909 476856391 /nfs/dbraw/zinc/85/63/91/476856391.db2.gz ZHRJZWZORXBRHY-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CSc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457079714 476863022 /nfs/dbraw/zinc/86/30/22/476863022.db2.gz SIBSGABWXUFMKG-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000457104816 476877545 /nfs/dbraw/zinc/87/75/45/476877545.db2.gz BXYOZYCUGAPJTB-CQSZACIVSA-N 1 0 339.823 2.732 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457110079 476880805 /nfs/dbraw/zinc/88/08/05/476880805.db2.gz HREFYQGYHYYJTQ-HNNXBMFYSA-N 1 0 349.431 2.613 20 5 EFBDRO COc1cc(CN2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430630304 476885828 /nfs/dbraw/zinc/88/58/28/476885828.db2.gz RPHWCRFDGWLHTM-LLVKDONJSA-N 1 0 345.346 2.518 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000430633194 476885936 /nfs/dbraw/zinc/88/59/36/476885936.db2.gz ZCOZZZVVTDQBTL-AWEZNQCLSA-N 1 0 337.445 2.825 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000430710527 476904434 /nfs/dbraw/zinc/90/44/34/476904434.db2.gz SMAZGVQOMVUZEG-MRXNPFEDSA-N 1 0 348.447 2.681 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430722903 476907332 /nfs/dbraw/zinc/90/73/32/476907332.db2.gz NWDYHWHDBPITRB-CYBMUJFWSA-N 1 0 325.796 2.756 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000457171741 476912495 /nfs/dbraw/zinc/91/24/95/476912495.db2.gz SVDZLQBADZKXLU-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000430814922 476921631 /nfs/dbraw/zinc/92/16/31/476921631.db2.gz KYJCQXSGQHCYPH-KBPBESRZSA-N 1 0 336.436 2.564 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000405100881 476924901 /nfs/dbraw/zinc/92/49/01/476924901.db2.gz MMJCTYDSBQQHQD-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000446854532 476929929 /nfs/dbraw/zinc/92/99/29/476929929.db2.gz ZTIFIHPZTSTCSV-HFBAOOFYSA-N 1 0 328.372 2.518 20 5 EFBDRO COC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000446887455 476930856 /nfs/dbraw/zinc/93/08/56/476930856.db2.gz TZEDQRAHQXHFQL-OAHLLOKOSA-N 1 0 342.823 2.822 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415509125 476933472 /nfs/dbraw/zinc/93/34/72/476933472.db2.gz VVUBQOOVSAZUBO-AWEZNQCLSA-N 1 0 336.392 2.633 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408332997 476947491 /nfs/dbraw/zinc/94/74/91/476947491.db2.gz YOENDXDJUYRLDE-VNHYZAJKSA-N 1 0 335.452 2.961 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415653783 476948197 /nfs/dbraw/zinc/94/81/97/476948197.db2.gz IOEBDNJHKBNREO-LBPRGKRZSA-N 1 0 336.392 2.586 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CCO)CCOC3)s2)cc1 ZINC000447068667 476948231 /nfs/dbraw/zinc/94/82/31/476948231.db2.gz MEXVCSOSGQQZCM-KRWDZBQOSA-N 1 0 348.424 2.954 20 5 EFBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174638 476953373 /nfs/dbraw/zinc/95/33/73/476953373.db2.gz BNNNBHQPNRBEFZ-MRXNPFEDSA-N 1 0 343.431 2.669 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000447094614 476953435 /nfs/dbraw/zinc/95/34/35/476953435.db2.gz UBPDRNAZHHJIQB-GOSISDBHSA-N 1 0 346.358 2.954 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423187126 476957863 /nfs/dbraw/zinc/95/78/63/476957863.db2.gz PADBDVKBCSFJNO-UHFFFAOYSA-N 1 0 339.395 2.555 20 5 EFBDRO CC(C)N(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000431072682 476971567 /nfs/dbraw/zinc/97/15/67/476971567.db2.gz GLXGSUDHRNHCFN-UHFFFAOYSA-N 1 0 333.392 2.582 20 5 EFBDRO CCCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000423291123 476983237 /nfs/dbraw/zinc/98/32/37/476983237.db2.gz GWXXQGSZWMBCCN-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO CCCC[C@@H](C[NH3+])N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304459 476988521 /nfs/dbraw/zinc/98/85/21/476988521.db2.gz YWKSDNXNUXORTI-GOEBONIOSA-N 1 0 331.420 2.525 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000416005939 476989405 /nfs/dbraw/zinc/98/94/05/476989405.db2.gz KMJPFBUUDZAWQQ-BXKDBHETSA-N 1 0 348.325 2.543 20 5 EFBDRO C[C@H](Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000447412201 476990799 /nfs/dbraw/zinc/99/07/99/476990799.db2.gz FMOQNWQUEFEWOB-ZDUSSCGKSA-N 1 0 329.404 2.653 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000457368468 476991212 /nfs/dbraw/zinc/99/12/12/476991212.db2.gz ZFODQYZXUTUIHN-LBPRGKRZSA-N 1 0 337.445 2.906 20 5 EFBDRO CC(C)N(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447510628 477000752 /nfs/dbraw/zinc/00/07/52/477000752.db2.gz PYHBZXUNORSGNK-JKSUJKDBSA-N 1 0 337.468 2.983 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2OCO3)n1 ZINC000447541975 477008010 /nfs/dbraw/zinc/00/80/10/477008010.db2.gz NMGNSZLLSXRWMI-KBPBESRZSA-N 1 0 344.371 2.794 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000375792832 477009330 /nfs/dbraw/zinc/00/93/30/477009330.db2.gz QZGLELVLYSCGDA-DYVFJYSZSA-N 1 0 347.415 2.520 20 5 EFBDRO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564248 477013927 /nfs/dbraw/zinc/01/39/27/477013927.db2.gz WDHJTADHHUAWRJ-JYJNAYRXSA-N 1 0 338.452 2.909 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC[C@H]1O ZINC000447589162 477018303 /nfs/dbraw/zinc/01/83/03/477018303.db2.gz XDBLUPDJKXQDIN-KCYZZUKISA-N 1 0 336.436 2.806 20 5 EFBDRO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416113565 477024537 /nfs/dbraw/zinc/02/45/37/477024537.db2.gz ZDSYWHZTLPCDRS-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](CCCC[NH3+])N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423435511 477032493 /nfs/dbraw/zinc/03/24/93/477032493.db2.gz OTFJCEDXZNBNAB-CJNGLKHVSA-N 1 0 331.420 2.525 20 5 EFBDRO CCc1ccc([C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423435499 477032750 /nfs/dbraw/zinc/03/27/50/477032750.db2.gz OSLIWXCUSIOUEG-ATLSCFEFSA-N 1 0 327.384 2.647 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CC[N@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000447674312 477033943 /nfs/dbraw/zinc/03/39/43/477033943.db2.gz BMMIJOZCNGDZLS-CYBMUJFWSA-N 1 0 329.404 2.569 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000375841714 477041012 /nfs/dbraw/zinc/04/10/12/477041012.db2.gz TYLHXTPMQNSDCD-ZMSDIMECSA-N 1 0 344.415 2.769 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514498 477057382 /nfs/dbraw/zinc/05/73/82/477057382.db2.gz DDBCEFXGOSMHMQ-STQMWFEESA-N 1 0 347.440 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000370990406 477070906 /nfs/dbraw/zinc/07/09/06/477070906.db2.gz DAQJYZYGXQGUGS-KBPBESRZSA-N 1 0 344.371 2.503 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423576920 477073985 /nfs/dbraw/zinc/07/39/85/477073985.db2.gz RPRDQRNWDMDQAO-CQDKDKBSSA-N 1 0 349.456 2.906 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000375913362 477079481 /nfs/dbraw/zinc/07/94/81/477079481.db2.gz UVPZLJMMQJBPKY-KCEHYLLSSA-N 1 0 329.400 2.693 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000366610613 477094785 /nfs/dbraw/zinc/09/47/85/477094785.db2.gz SNTPHVHLNCUMMB-AWEZNQCLSA-N 1 0 344.415 2.792 20 5 EFBDRO CC[C@H]1CN(CC)CCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000411057874 477100369 /nfs/dbraw/zinc/10/03/69/477100369.db2.gz KTEPFWSIVHGARO-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833887 477100493 /nfs/dbraw/zinc/10/04/93/477100493.db2.gz BJANNKGWLAVXRA-MAUKXSAKSA-N 1 0 343.427 2.928 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000366618970 477101559 /nfs/dbraw/zinc/10/15/59/477101559.db2.gz OFVJIRLSLKISRO-ZDUSSCGKSA-N 1 0 330.388 2.717 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423665776 477103714 /nfs/dbraw/zinc/10/37/14/477103714.db2.gz HPTZUYFTMHUDNM-KRWDZBQOSA-N 1 0 339.395 2.828 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452850637 477106226 /nfs/dbraw/zinc/10/62/26/477106226.db2.gz MQZPVKZNTFSXBM-DOTOQJQBSA-N 1 0 333.432 2.887 20 5 EFBDRO CC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431862808 477111978 /nfs/dbraw/zinc/11/19/78/477111978.db2.gz ZCKGTDWWZLOWRY-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448010589 477115751 /nfs/dbraw/zinc/11/57/51/477115751.db2.gz NKVUEOZFRUBCHD-MRXNPFEDSA-N 1 0 348.447 2.823 20 5 EFBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000371084198 477115996 /nfs/dbraw/zinc/11/59/96/477115996.db2.gz GEHWPJYIPZHVLN-INIZCTEOSA-N 1 0 344.415 2.755 20 5 EFBDRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432138481 477164343 /nfs/dbraw/zinc/16/43/43/477164343.db2.gz XQIJKADSVVATMX-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCN1CC[NH+](C[C@H](C)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432347518 477199679 /nfs/dbraw/zinc/19/96/79/477199679.db2.gz OLMPIOLQNBIHDB-CYBMUJFWSA-N 1 0 340.855 2.934 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263865 477201211 /nfs/dbraw/zinc/20/12/11/477201211.db2.gz UKXPGFCKPDPGCF-MSOLQXFVSA-N 1 0 335.448 2.872 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(=O)NC ZINC000453365854 477214304 /nfs/dbraw/zinc/21/43/04/477214304.db2.gz LRDZLRJHVDQRCR-NWDGAFQWSA-N 1 0 325.434 2.580 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453374443 477216497 /nfs/dbraw/zinc/21/64/97/477216497.db2.gz ZIPOXGMQMZLSMI-RVSPLBMKSA-N 1 0 330.388 2.899 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000376203302 477226768 /nfs/dbraw/zinc/22/67/68/477226768.db2.gz MJGZPWGPCITVCV-OAHLLOKOSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000411417145 477227160 /nfs/dbraw/zinc/22/71/60/477227160.db2.gz DXBUAVODJKEPFS-IHETXDGRSA-N 1 0 345.443 2.935 20 5 EFBDRO O=C(CC[N@H+](Cc1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411417650 477227188 /nfs/dbraw/zinc/22/71/88/477227188.db2.gz MRIKHVBXADBTHN-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843700 477227495 /nfs/dbraw/zinc/22/74/95/477227495.db2.gz CGVNJLXXFZQYOL-ZFWWWQNUSA-N 1 0 334.420 2.782 20 5 EFBDRO CCOc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316308 477237526 /nfs/dbraw/zinc/23/75/26/477237526.db2.gz CRHFGLANERJBGN-BPUTZDHNSA-N 1 0 349.431 2.507 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000423982375 477244124 /nfs/dbraw/zinc/24/41/24/477244124.db2.gz RNOFZDBMFRNXLL-HNNXBMFYSA-N 1 0 343.383 2.596 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000423982610 477244805 /nfs/dbraw/zinc/24/48/05/477244805.db2.gz RSRLZNYAKFCOSK-MRXNPFEDSA-N 1 0 343.383 2.596 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000423983320 477245118 /nfs/dbraw/zinc/24/51/18/477245118.db2.gz SUVLHCBAAMUECU-MRXNPFEDSA-N 1 0 327.384 2.895 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411483690 477252872 /nfs/dbraw/zinc/25/28/72/477252872.db2.gz CCRHVLSHOONJMJ-KRWDZBQOSA-N 1 0 349.431 2.844 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424005701 477257394 /nfs/dbraw/zinc/25/73/94/477257394.db2.gz SXUSJXYSCDOASL-RYUDHWBXSA-N 1 0 337.445 2.764 20 5 EFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000424015141 477261258 /nfs/dbraw/zinc/26/12/58/477261258.db2.gz YGXLCJGESOAAFC-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000376282529 477266045 /nfs/dbraw/zinc/26/60/45/477266045.db2.gz AWSWKRBQVUEQKK-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000424040228 477269230 /nfs/dbraw/zinc/26/92/30/477269230.db2.gz LOBQXSZZVNNALY-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424068082 477280720 /nfs/dbraw/zinc/28/07/20/477280720.db2.gz AHXBDEUADSFUCV-AWEZNQCLSA-N 1 0 341.367 2.524 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376366989 477300719 /nfs/dbraw/zinc/30/07/19/477300719.db2.gz IPGHVRAYDNQKRZ-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454628906 477301465 /nfs/dbraw/zinc/30/14/65/477301465.db2.gz YZDFVHVQULNMJB-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424172071 477316484 /nfs/dbraw/zinc/31/64/84/477316484.db2.gz NGUURDHZQQZHOO-UHFFFAOYSA-N 1 0 328.434 2.633 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCN2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433180518 477316908 /nfs/dbraw/zinc/31/69/08/477316908.db2.gz VSVNLRDLLCAFAQ-MRXNPFEDSA-N 1 0 335.473 2.956 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000458205065 477317845 /nfs/dbraw/zinc/31/78/45/477317845.db2.gz KYOVDEZOGJOWCJ-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000424183997 477319895 /nfs/dbraw/zinc/31/98/95/477319895.db2.gz DGWNMKIHMMXHNW-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376409739 477321000 /nfs/dbraw/zinc/32/10/00/477321000.db2.gz UDJWJXCPOSUUJU-HIFRSBDPSA-N 1 0 347.415 2.610 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433293615 477322629 /nfs/dbraw/zinc/32/26/29/477322629.db2.gz GJCCGNQJZONAHM-MRXNPFEDSA-N 1 0 340.383 2.601 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448878580 477324345 /nfs/dbraw/zinc/32/43/45/477324345.db2.gz RVCSABZTNYOBLJ-UHFFFAOYSA-N 1 0 347.415 2.500 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411736214 477348810 /nfs/dbraw/zinc/34/88/10/477348810.db2.gz LYSXNSSGLUBMON-FHLIZLRMSA-N 1 0 345.443 2.935 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000367128322 477355155 /nfs/dbraw/zinc/35/51/55/477355155.db2.gz ZJFMJMDYTAKVDK-CZUORRHYSA-N 1 0 347.415 2.550 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000424294374 477359825 /nfs/dbraw/zinc/35/98/25/477359825.db2.gz KTTHFCUQJQOJFL-OAHLLOKOSA-N 1 0 340.445 2.732 20 5 EFBDRO COc1cccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000435737463 477363134 /nfs/dbraw/zinc/36/31/34/477363134.db2.gz IHSYOFGBPSUBKJ-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO CO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000411785167 477365988 /nfs/dbraw/zinc/36/59/88/477365988.db2.gz BDKFQSXZIQMHHU-JKSUJKDBSA-N 1 0 347.415 2.813 20 5 EFBDRO CCC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000424310279 477366874 /nfs/dbraw/zinc/36/68/74/477366874.db2.gz RZNYAOXTZRNRFB-OAHLLOKOSA-N 1 0 328.434 2.850 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000411793822 477370720 /nfs/dbraw/zinc/37/07/20/477370720.db2.gz OJOQMDUWQAWWAI-HNNXBMFYSA-N 1 0 337.420 2.652 20 5 EFBDRO CSc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000376527522 477383420 /nfs/dbraw/zinc/38/34/20/477383420.db2.gz PQDBOSSIPPVCOO-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000367203081 477391512 /nfs/dbraw/zinc/39/15/12/477391512.db2.gz BPZFEAPNFGLJHF-YESZJQIVSA-N 1 0 329.400 2.715 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000376563913 477404509 /nfs/dbraw/zinc/40/45/09/477404509.db2.gz ZVZWCEZMTOIMJQ-GIYGXLGSSA-N 1 0 329.400 2.693 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000367229358 477405007 /nfs/dbraw/zinc/40/50/07/477405007.db2.gz DUBHKUCDCSPULI-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1cccc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000436020690 477406902 /nfs/dbraw/zinc/40/69/02/477406902.db2.gz RHDSILCOSJZVOK-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412086843 477409267 /nfs/dbraw/zinc/40/92/67/477409267.db2.gz BQIKBZJLJLTPPW-IXDOHACOSA-N 1 0 331.416 2.689 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367239879 477410491 /nfs/dbraw/zinc/41/04/91/477410491.db2.gz UYEAFZRRGFVZBA-AWEZNQCLSA-N 1 0 348.321 2.883 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000412088270 477410725 /nfs/dbraw/zinc/41/07/25/477410725.db2.gz BGZHDRLMUNKFAI-FGTMMUONSA-N 1 0 343.427 2.785 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412165824 477413574 /nfs/dbraw/zinc/41/35/74/477413574.db2.gz WXYMWKGVBRDJBD-JCGIZDLHSA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000449069071 477419598 /nfs/dbraw/zinc/41/95/98/477419598.db2.gz VTWLJEVWOIIOCD-UKRRQHHQSA-N 1 0 328.368 2.955 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000449069072 477420127 /nfs/dbraw/zinc/42/01/27/477420127.db2.gz VTWLJEVWOIIOCD-ZFWWWQNUSA-N 1 0 328.368 2.955 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449071979 477421562 /nfs/dbraw/zinc/42/15/62/477421562.db2.gz CXXIHRFZLNSZAF-ZDUSSCGKSA-N 1 0 327.384 2.675 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000367282936 477431451 /nfs/dbraw/zinc/43/14/51/477431451.db2.gz QABOMJWJLMQYLU-USVNEQSZSA-N 1 0 326.352 2.692 20 5 EFBDRO Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000449140689 477456388 /nfs/dbraw/zinc/45/63/88/477456388.db2.gz JTYXLLPSNKSWLM-SFHVURJKSA-N 1 0 325.368 2.773 20 5 EFBDRO C[NH+](C)CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436307112 477459641 /nfs/dbraw/zinc/45/96/41/477459641.db2.gz MUCOBSNRSVENTH-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000449165758 477466257 /nfs/dbraw/zinc/46/62/57/477466257.db2.gz ATEYPLINVBXMKY-CHWSQXEVSA-N 1 0 329.404 2.804 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418372323 477472474 /nfs/dbraw/zinc/47/24/74/477472474.db2.gz YRVPDFKTICRMTE-HNNXBMFYSA-N 1 0 334.420 2.644 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000413026166 477475135 /nfs/dbraw/zinc/47/51/35/477475135.db2.gz TUEOWEFAWIIQSO-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000413029200 477477262 /nfs/dbraw/zinc/47/72/62/477477262.db2.gz RLEKVVHQGBJDPZ-OAHLLOKOSA-N 1 0 334.351 2.852 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455092241 477496441 /nfs/dbraw/zinc/49/64/41/477496441.db2.gz JSUSRRJPZWOACW-JGGQBBKZSA-N 1 0 332.404 2.582 20 5 EFBDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449246216 477504497 /nfs/dbraw/zinc/50/44/97/477504497.db2.gz CWQPEMLJLZSHDO-GFCCVEGCSA-N 1 0 332.404 2.620 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000449254504 477507980 /nfs/dbraw/zinc/50/79/80/477507980.db2.gz YJHWNMQPCCIUGS-LBPRGKRZSA-N 1 0 332.429 2.660 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1F ZINC000413093924 477513694 /nfs/dbraw/zinc/51/36/94/477513694.db2.gz OZFKYRWBKYMHID-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000449280777 477521464 /nfs/dbraw/zinc/52/14/64/477521464.db2.gz BKIIFYZLLUZUSY-HZPDHXFCSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000449288959 477527616 /nfs/dbraw/zinc/52/76/16/477527616.db2.gz PNPCXDYJYABFIP-GOEBONIOSA-N 1 0 343.431 2.518 20 5 EFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CCOC ZINC000413124353 477532090 /nfs/dbraw/zinc/53/20/90/477532090.db2.gz COKSBDPCEVQOFO-AWEZNQCLSA-N 1 0 344.415 2.690 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413132615 477537026 /nfs/dbraw/zinc/53/70/26/477537026.db2.gz BVQPSRKMHZGOAC-JTQLQIEISA-N 1 0 332.326 2.787 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+]1CCOCC1 ZINC000413153770 477544342 /nfs/dbraw/zinc/54/43/42/477544342.db2.gz LXSRPVQLASJZJA-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000413158509 477545674 /nfs/dbraw/zinc/54/56/74/477545674.db2.gz JKAVKMGTRZDEOQ-UHFFFAOYSA-N 1 0 330.363 2.640 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000367520717 477555134 /nfs/dbraw/zinc/55/51/34/477555134.db2.gz RCNMMTQMATYWSC-LJQANCHMSA-N 1 0 341.411 2.978 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449746045 477571788 /nfs/dbraw/zinc/57/17/88/477571788.db2.gz QAKHIRQBOFENRW-DNXIFWLFSA-N 1 0 346.431 2.734 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000449783035 477574114 /nfs/dbraw/zinc/57/41/14/477574114.db2.gz MULTVFITQQMMQW-KMFMINBZSA-N 1 0 344.415 2.769 20 5 EFBDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450334022 477588297 /nfs/dbraw/zinc/58/82/97/477588297.db2.gz RHMUKFGHMCGPCC-DZGCQCFKSA-N 1 0 333.436 2.784 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000367599974 477592169 /nfs/dbraw/zinc/59/21/69/477592169.db2.gz YQHAHIDMBVGHHE-RYQLBKOJSA-N 1 0 344.415 2.732 20 5 EFBDRO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000413257639 477593633 /nfs/dbraw/zinc/59/36/33/477593633.db2.gz BAIKHNAVMUUHGE-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1nc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450419033 477595189 /nfs/dbraw/zinc/59/51/89/477595189.db2.gz NFMREYUDSJGIFY-UONOGXRCSA-N 1 0 341.415 2.792 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372009130 477598095 /nfs/dbraw/zinc/59/80/95/477598095.db2.gz IPIAOVKDDYOYIL-FUHWJXTLSA-N 1 0 345.443 2.860 20 5 EFBDRO C[N@H+]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C[C@H]2C1 ZINC000450485872 477604423 /nfs/dbraw/zinc/60/44/23/477604423.db2.gz QUUQBTPTQUXQTA-BETUJISGSA-N 1 0 330.413 2.716 20 5 EFBDRO C[C@@H]1C[N@@H+](CCN(C)c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450482055 477604537 /nfs/dbraw/zinc/60/45/37/477604537.db2.gz FQPUWYIGNGVXCP-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO COc1cc(CN2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000372062843 477621319 /nfs/dbraw/zinc/62/13/19/477621319.db2.gz LUXYLJSUWJZCSL-UHFFFAOYSA-N 1 0 337.395 2.803 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372062034 477621341 /nfs/dbraw/zinc/62/13/41/477621341.db2.gz CRSBWXPBMDMBNM-KBPBESRZSA-N 1 0 332.404 2.960 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458893622 477645809 /nfs/dbraw/zinc/64/58/09/477645809.db2.gz WMKRQDDMCDCBOY-ZFWWWQNUSA-N 1 0 334.420 2.782 20 5 EFBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000367711088 477651207 /nfs/dbraw/zinc/65/12/07/477651207.db2.gz XNTRYTPNZKHBQN-LBPRGKRZSA-N 1 0 329.356 2.552 20 5 EFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]1 ZINC000420263666 477652497 /nfs/dbraw/zinc/65/24/97/477652497.db2.gz AAMYQWKOVGIIBT-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420283052 477662424 /nfs/dbraw/zinc/66/24/24/477662424.db2.gz XDEPCBGJFWPEIC-QWRGUYRKSA-N 1 0 344.337 2.835 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000420285952 477663222 /nfs/dbraw/zinc/66/32/22/477663222.db2.gz VYOXWTJJMVWBRN-OAHLLOKOSA-N 1 0 342.399 2.629 20 5 EFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000420284365 477663450 /nfs/dbraw/zinc/66/34/50/477663450.db2.gz OPTJLFOLTFPWFQ-PDUMLCJASA-N 1 0 341.209 2.680 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000420291671 477667225 /nfs/dbraw/zinc/66/72/25/477667225.db2.gz VYERIOLULICTCP-DTWKUNHWSA-N 1 0 329.198 2.682 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372157765 477668358 /nfs/dbraw/zinc/66/83/58/477668358.db2.gz QTENADPYHCSTKX-HUUCEWRRSA-N 1 0 347.415 2.590 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420292090 477668407 /nfs/dbraw/zinc/66/84/07/477668407.db2.gz WJKQSNJVPXWWMM-JSGCOSHPSA-N 1 0 334.420 2.662 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420325846 477694729 /nfs/dbraw/zinc/69/47/29/477694729.db2.gz DKDRAHAZOBOPEI-INIZCTEOSA-N 1 0 325.384 2.515 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420325848 477694931 /nfs/dbraw/zinc/69/49/31/477694931.db2.gz DKDRAHAZOBOPEI-MRXNPFEDSA-N 1 0 325.384 2.515 20 5 EFBDRO Cc1cn2c(n1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000372248615 477713436 /nfs/dbraw/zinc/71/34/36/477713436.db2.gz ITKOKPBEHPRJJG-NSHDSACASA-N 1 0 332.335 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C(F)(F)F ZINC000450795155 477721037 /nfs/dbraw/zinc/72/10/37/477721037.db2.gz SUIDBVFIBQXWND-TXEJJXNPSA-N 1 0 345.321 2.889 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370306 477728628 /nfs/dbraw/zinc/72/86/28/477728628.db2.gz OXKDFYXTUWUSPC-SNUQEOBHSA-N 1 0 344.415 2.768 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370310 477728706 /nfs/dbraw/zinc/72/87/06/477728706.db2.gz OXKDFYXTUWUSPC-VBHSOAQHSA-N 1 0 344.415 2.768 20 5 EFBDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437642650 477733816 /nfs/dbraw/zinc/73/38/16/477733816.db2.gz SFCBASONEWNOPI-QZTJIDSGSA-N 1 0 346.431 2.702 20 5 EFBDRO CN1Cc2ccccc2[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000372295655 477741831 /nfs/dbraw/zinc/74/18/31/477741831.db2.gz ABVDGIRLYLPEKB-OAHLLOKOSA-N 1 0 347.321 2.790 20 5 EFBDRO CCOC(=O)c1cc(N2CC[NH+]([C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000450865973 477742838 /nfs/dbraw/zinc/74/28/38/477742838.db2.gz XDIYBAKTBVDNDF-ZDUSSCGKSA-N 1 0 335.404 2.692 20 5 EFBDRO CO[C@H](Cc1ccccc1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450873094 477745846 /nfs/dbraw/zinc/74/58/46/477745846.db2.gz CPJCKUIXFJRMFC-QGZVFWFLSA-N 1 0 344.415 2.686 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413621534 477754738 /nfs/dbraw/zinc/75/47/38/477754738.db2.gz CNQWRHZPJLWQAG-SPUZQDLCSA-N 1 0 343.427 2.641 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413621531 477755250 /nfs/dbraw/zinc/75/52/50/477755250.db2.gz CNQWRHZPJLWQAG-BZZMCLGOSA-N 1 0 343.427 2.641 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000426892848 477757365 /nfs/dbraw/zinc/75/73/65/477757365.db2.gz BKJVZLOTQRYPPN-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427213073 477767152 /nfs/dbraw/zinc/76/71/52/477767152.db2.gz OUZVPPYNEBNONY-UHFFFAOYSA-N 1 0 333.310 2.599 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000437936063 477777587 /nfs/dbraw/zinc/77/75/87/477777587.db2.gz TXDALNCQZRUOHZ-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000427858047 477782366 /nfs/dbraw/zinc/78/23/66/477782366.db2.gz RYPWPFXFUUQQIF-JKSUJKDBSA-N 1 0 326.400 2.717 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000451104720 477825645 /nfs/dbraw/zinc/82/56/45/477825645.db2.gz LHCDEHTVBGJRHP-GJZGRUSLSA-N 1 0 341.411 2.993 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc4ccncc43)C2)nc1 ZINC000428145755 477827900 /nfs/dbraw/zinc/82/79/00/477827900.db2.gz MATQUZZRLUUCQZ-LBPRGKRZSA-N 1 0 336.355 2.624 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccnc4ccncc43)C2)nc1 ZINC000428145753 477828291 /nfs/dbraw/zinc/82/82/91/477828291.db2.gz MATQUZZRLUUCQZ-GFCCVEGCSA-N 1 0 336.355 2.624 20 5 EFBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420935661 477835979 /nfs/dbraw/zinc/83/59/79/477835979.db2.gz HYSDCXIDLVKOON-KGLIPLIRSA-N 1 0 345.399 2.743 20 5 EFBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954942 477853086 /nfs/dbraw/zinc/85/30/86/477853086.db2.gz ZXOVRBUOJICXNG-STQMWFEESA-N 1 0 331.372 2.700 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418472 477866096 /nfs/dbraw/zinc/86/60/96/477866096.db2.gz HDCUNLKTKNOEDL-CABCVRRESA-N 1 0 348.447 2.632 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000451199903 477872577 /nfs/dbraw/zinc/87/25/77/477872577.db2.gz IEWYVXKGZKDHLE-KRWDZBQOSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000456341371 477872666 /nfs/dbraw/zinc/87/26/66/477872666.db2.gz FAHXQAZXDOACCM-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000558501688 477879682 /nfs/dbraw/zinc/87/96/82/477879682.db2.gz NPEXBAGMBZRJGD-OAGGEKHMSA-N 1 0 337.468 2.985 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451226164 477889083 /nfs/dbraw/zinc/88/90/83/477889083.db2.gz HGBOYKOAYPUDDK-QLFBSQMISA-N 1 0 339.395 2.937 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421001721 477890864 /nfs/dbraw/zinc/89/08/64/477890864.db2.gz LTMJRXZUTSGXLM-DOMZBBRYSA-N 1 0 345.403 2.732 20 5 EFBDRO CC(C)c1cc(NCCNc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000462088822 477894180 /nfs/dbraw/zinc/89/41/80/477894180.db2.gz OKRZBQQHPXJYTG-UHFFFAOYSA-N 1 0 344.419 2.520 20 5 EFBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccsc1 ZINC000421009658 477896391 /nfs/dbraw/zinc/89/63/91/477896391.db2.gz NHXRRDFMIGZNHE-SWLSCSKDSA-N 1 0 338.433 2.685 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421008003 477897382 /nfs/dbraw/zinc/89/73/82/477897382.db2.gz CWPCYPNITKHTGS-HNNXBMFYSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000421013824 477901831 /nfs/dbraw/zinc/90/18/31/477901831.db2.gz KGYMQALGBDDJIK-IUODEOHRSA-N 1 0 331.372 2.638 20 5 EFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@@H+]1C ZINC000421016047 477904862 /nfs/dbraw/zinc/90/48/62/477904862.db2.gz XRNNCQSDEAIXQH-MRXNPFEDSA-N 1 0 344.415 2.818 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456395139 477910502 /nfs/dbraw/zinc/91/05/02/477910502.db2.gz ZMBRUIYIMLIXRR-STQMWFEESA-N 1 0 337.395 2.780 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000462746601 477918058 /nfs/dbraw/zinc/91/80/58/477918058.db2.gz RDKHROQRCHXVOZ-QGZVFWFLSA-N 1 0 345.443 2.932 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000428541796 477923905 /nfs/dbraw/zinc/92/39/05/477923905.db2.gz CTOONODKUWZKFK-ROUUACIJSA-N 1 0 330.359 2.990 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CO2 ZINC000516397835 477930204 /nfs/dbraw/zinc/93/02/04/477930204.db2.gz FZQKECBVASQTPK-AWEZNQCLSA-N 1 0 344.367 2.576 20 5 EFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494276821 477957098 /nfs/dbraw/zinc/95/70/98/477957098.db2.gz LUPNKTPNBRQBIH-AMJWSMQMSA-N 1 0 341.795 2.732 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464809750 477963550 /nfs/dbraw/zinc/96/35/50/477963550.db2.gz CFYPQWJLERLJTD-QAPCUYQASA-N 1 0 349.431 2.977 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428730923 477970378 /nfs/dbraw/zinc/97/03/78/477970378.db2.gz QILQJYHIJLGMMH-KBPBESRZSA-N 1 0 331.416 2.959 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000494373418 477973971 /nfs/dbraw/zinc/97/39/71/477973971.db2.gz XZSJQZZFHMUTDP-WOSRLPQWSA-N 1 0 332.404 2.789 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000494375877 477974408 /nfs/dbraw/zinc/97/44/08/477974408.db2.gz RWLHADYJXPFMBE-ZENOOKHLSA-N 1 0 332.404 2.789 20 5 EFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000428777497 477980140 /nfs/dbraw/zinc/98/01/40/477980140.db2.gz IRGFZHBMPKISJH-IBGZPJMESA-N 1 0 340.379 2.912 20 5 EFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000428777498 477981055 /nfs/dbraw/zinc/98/10/55/477981055.db2.gz IRGFZHBMPKISJH-LJQANCHMSA-N 1 0 340.379 2.912 20 5 EFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1c(C)nn(C)c1C ZINC000459575664 477985214 /nfs/dbraw/zinc/98/52/14/477985214.db2.gz UWUTWJUQSNYQTG-UHFFFAOYSA-N 1 0 346.431 2.636 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000494480337 477995297 /nfs/dbraw/zinc/99/52/97/477995297.db2.gz ZDQLNDYCDUQFSX-WBVHZDCISA-N 1 0 335.448 2.616 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451414585 478001586 /nfs/dbraw/zinc/00/15/86/478001586.db2.gz IJGYAAOCBMPIDY-BBWFWOEESA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414598 478001993 /nfs/dbraw/zinc/00/19/93/478001993.db2.gz IJYVDDWMIZOPEI-ZFVVBOAOSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418726 478003650 /nfs/dbraw/zinc/00/36/50/478003650.db2.gz MWDUEKDNFHNUOO-ZFVVBOAOSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000494543259 478006585 /nfs/dbraw/zinc/00/65/85/478006585.db2.gz AUMRIONKHJMOBE-DZGCQCFKSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459615502 478011403 /nfs/dbraw/zinc/01/14/03/478011403.db2.gz PDNNYINCHKCHNL-CJNGLKHVSA-N 1 0 340.445 2.927 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439699681 478019334 /nfs/dbraw/zinc/01/93/34/478019334.db2.gz FHJMSYMSBPVTDC-HNNXBMFYSA-N 1 0 337.395 2.974 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451454939 478025385 /nfs/dbraw/zinc/02/53/85/478025385.db2.gz JEGWVYWEUCFUBK-OAHLLOKOSA-N 1 0 347.371 2.574 20 5 EFBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451454938 478025709 /nfs/dbraw/zinc/02/57/09/478025709.db2.gz JEGWVYWEUCFUBK-HNNXBMFYSA-N 1 0 347.371 2.574 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000459662261 478028458 /nfs/dbraw/zinc/02/84/58/478028458.db2.gz ZVGAUJWHGPPHEK-ZIAGYGMSSA-N 1 0 336.388 2.671 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000494657237 478035270 /nfs/dbraw/zinc/03/52/70/478035270.db2.gz YXNFBVVWGCLWJZ-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cc(F)ccc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517016945 478036358 /nfs/dbraw/zinc/03/63/58/478036358.db2.gz LPMSLBSIXHHOEA-QGZVFWFLSA-N 1 0 348.374 2.614 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451474147 478036808 /nfs/dbraw/zinc/03/68/08/478036808.db2.gz ADSFIHMYGJUBFZ-CSMYWGQOSA-N 1 0 347.415 2.635 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451480017 478039103 /nfs/dbraw/zinc/03/91/03/478039103.db2.gz NZFXERLCAIUDPG-VBNZEHGJSA-N 1 0 347.415 2.859 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CO)CCSCC3)co2)cc1 ZINC000459700529 478047160 /nfs/dbraw/zinc/04/71/60/478047160.db2.gz PPQHLDFHOUPBLI-UHFFFAOYSA-N 1 0 349.412 2.598 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490339 478048660 /nfs/dbraw/zinc/04/86/60/478048660.db2.gz HVDJVAWCDUVGAE-CHWSQXEVSA-N 1 0 332.360 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000439917783 478049485 /nfs/dbraw/zinc/04/94/85/478049485.db2.gz SWUPHEAUMAZZNJ-WCQYABFASA-N 1 0 336.392 2.598 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451506882 478056907 /nfs/dbraw/zinc/05/69/07/478056907.db2.gz WJBJVHSXKUPGIF-ZWZTZDBGSA-N 1 0 326.368 2.892 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451508829 478058713 /nfs/dbraw/zinc/05/87/13/478058713.db2.gz YLZYRJVCFOENPU-AFAVFJNCSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451508832 478059234 /nfs/dbraw/zinc/05/92/34/478059234.db2.gz YLZYRJVCFOENPU-OAUYIBNBSA-N 1 0 349.431 2.881 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451509929 478060316 /nfs/dbraw/zinc/06/03/16/478060316.db2.gz XIYSKXSDRADZER-JKSUJKDBSA-N 1 0 344.415 2.802 20 5 EFBDRO CCOC[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000459726592 478062130 /nfs/dbraw/zinc/06/21/30/478062130.db2.gz XYPOGYUARDLAQH-CQSZACIVSA-N 1 0 338.404 2.873 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000459728094 478062382 /nfs/dbraw/zinc/06/23/82/478062382.db2.gz CRQMRXLSQUCBHT-HOTGVXAUSA-N 1 0 336.388 2.659 20 5 EFBDRO CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451521978 478064648 /nfs/dbraw/zinc/06/46/48/478064648.db2.gz AJUWXAVFTUJTKN-WOSRLPQWSA-N 1 0 335.404 2.669 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000459737323 478067599 /nfs/dbraw/zinc/06/75/99/478067599.db2.gz HUDIOYDOKKUDST-PBHICJAKSA-N 1 0 344.411 2.900 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459742819 478070008 /nfs/dbraw/zinc/07/00/08/478070008.db2.gz CZJJRPKKAQGBRG-HOTGVXAUSA-N 1 0 347.415 2.779 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000487840647 478077454 /nfs/dbraw/zinc/07/74/54/478077454.db2.gz OLLUBKMFDPLWNA-UONOGXRCSA-N 1 0 346.431 2.756 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459762731 478079688 /nfs/dbraw/zinc/07/96/88/478079688.db2.gz NNNPQQZUXJRXEN-CVEARBPZSA-N 1 0 347.415 2.779 20 5 EFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000459767284 478080389 /nfs/dbraw/zinc/08/03/89/478080389.db2.gz DZECHUVJYMAHDT-PWSUYJOCSA-N 1 0 346.330 2.862 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451547444 478083244 /nfs/dbraw/zinc/08/32/44/478083244.db2.gz TYVIWKOXTNXYBI-XJKSGUPXSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548751 478085134 /nfs/dbraw/zinc/08/51/34/478085134.db2.gz OGSSWXHSXGVOCC-WMZOPIPTSA-N 1 0 336.432 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C\c3ccncc3)C2)nc1 ZINC000494938782 478088347 /nfs/dbraw/zinc/08/83/47/478088347.db2.gz PCILWEWSLFXMSK-OYADATRGSA-N 1 0 325.372 2.584 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459789090 478094106 /nfs/dbraw/zinc/09/41/06/478094106.db2.gz RFONCBIURXMICO-XBFCOCLRSA-N 1 0 333.388 2.710 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487987735 478100811 /nfs/dbraw/zinc/10/08/11/478100811.db2.gz KWEFRTPKMYFSEM-PBHICJAKSA-N 1 0 348.447 2.502 20 5 EFBDRO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488038656 478110161 /nfs/dbraw/zinc/11/01/61/478110161.db2.gz HTGLGOLBCRQAAF-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000451593584 478114449 /nfs/dbraw/zinc/11/44/49/478114449.db2.gz CWKQBEOPNOWMRA-CJNGLKHVSA-N 1 0 326.343 2.760 20 5 EFBDRO CC(C)(NC(=O)NCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000488176914 478126571 /nfs/dbraw/zinc/12/65/71/478126571.db2.gz DHPLMPFCHBYXFB-UHFFFAOYSA-N 1 0 334.420 2.615 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429534555 478148380 /nfs/dbraw/zinc/14/83/80/478148380.db2.gz IZRWUPNZLLXRAL-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1OC ZINC000488519743 478157320 /nfs/dbraw/zinc/15/73/20/478157320.db2.gz PWHPIMYNWNZSJF-CALCHBBNSA-N 1 0 332.356 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)nc2c1 ZINC000451699069 478164444 /nfs/dbraw/zinc/16/44/44/478164444.db2.gz TZZKMTRYUYPATC-MBNYWOFBSA-N 1 0 331.372 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000440822970 478166293 /nfs/dbraw/zinc/16/62/93/478166293.db2.gz UXLPMRBPKOWYLA-LJQANCHMSA-N 1 0 326.396 2.951 20 5 EFBDRO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000561238767 478169794 /nfs/dbraw/zinc/16/97/94/478169794.db2.gz WPLOOORAFMWESF-XIWBLNCNSA-N 1 0 331.416 2.782 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451722511 478176577 /nfs/dbraw/zinc/17/65/77/478176577.db2.gz TXZAWGNLWUTSHS-INIZCTEOSA-N 1 0 347.415 2.548 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000488738771 478177907 /nfs/dbraw/zinc/17/79/07/478177907.db2.gz UOSYLXFDXZHIBI-DMDPSCGWSA-N 1 0 347.444 2.766 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000488743368 478178065 /nfs/dbraw/zinc/17/80/65/478178065.db2.gz HUHQMEQVRZVODN-MBNYWOFBSA-N 1 0 337.395 2.909 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000488743369 478178071 /nfs/dbraw/zinc/17/80/71/478178071.db2.gz HUHQMEQVRZVODN-OUCADQQQSA-N 1 0 337.395 2.909 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)C1 ZINC000488747164 478178814 /nfs/dbraw/zinc/17/88/14/478178814.db2.gz IJVGZISGKPGFIN-GDZNZVCISA-N 1 0 330.432 2.729 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)C1 ZINC000488747165 478178928 /nfs/dbraw/zinc/17/89/28/478178928.db2.gz IJVGZISGKPGFIN-OGHNNQOOSA-N 1 0 330.432 2.729 20 5 EFBDRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429726770 478181656 /nfs/dbraw/zinc/18/16/56/478181656.db2.gz SXCJPMIQNCJVJN-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000561487628 478189882 /nfs/dbraw/zinc/18/98/82/478189882.db2.gz UZGMHHXGDJJZGQ-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000535072392 478196282 /nfs/dbraw/zinc/19/62/82/478196282.db2.gz STTGIAKNSVHSRL-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000561765880 478204300 /nfs/dbraw/zinc/20/43/00/478204300.db2.gz WRMJFZJIQCSFCN-RLFYNMQTSA-N 1 0 345.443 2.716 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535265753 478205480 /nfs/dbraw/zinc/20/54/80/478205480.db2.gz MMBAXUWVCCXNLN-QGZVFWFLSA-N 1 0 340.383 2.553 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000562053552 478214683 /nfs/dbraw/zinc/21/46/83/478214683.db2.gz VLQJVSRMYOOTEU-GWCFXTLKSA-N 1 0 334.294 2.673 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000562053109 478215065 /nfs/dbraw/zinc/21/50/65/478215065.db2.gz QBVRZXBVFRKRJI-LLVKDONJSA-N 1 0 335.335 2.867 20 5 EFBDRO COc1c(C)nc(C2CC2)nc1NCCc1cccc([N+](=O)[O-])c1 ZINC000562145555 478216918 /nfs/dbraw/zinc/21/69/18/478216918.db2.gz ZWONJDMRMXPIGM-UHFFFAOYSA-N 1 0 328.372 2.656 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562300324 478229872 /nfs/dbraw/zinc/22/98/72/478229872.db2.gz KFEWPJKDSSJQKI-WMLDXEAASA-N 1 0 331.416 2.785 20 5 EFBDRO CNc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000519597931 478238062 /nfs/dbraw/zinc/23/80/62/478238062.db2.gz CPJVPZVPOQUHBF-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000519636340 478244167 /nfs/dbraw/zinc/24/41/67/478244167.db2.gz DJOQGQCGZSOLQI-KCYZZUKISA-N 1 0 334.416 2.893 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000489540605 478255361 /nfs/dbraw/zinc/25/53/61/478255361.db2.gz IUUKYEJTRSRTQU-GXTWGEPZSA-N 1 0 332.404 2.500 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000495669008 478260723 /nfs/dbraw/zinc/26/07/23/478260723.db2.gz KFEULRPBRNQIBF-GFCCVEGCSA-N 1 0 335.404 2.940 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489624035 478261838 /nfs/dbraw/zinc/26/18/38/478261838.db2.gz HXILKZPLAINFTN-VNHYZAJKSA-N 1 0 334.420 2.746 20 5 EFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000590643883 478274437 /nfs/dbraw/zinc/27/44/37/478274437.db2.gz DEDJXKBKXSSSKR-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594213267 478277235 /nfs/dbraw/zinc/27/72/35/478277235.db2.gz UCWXUFWEEJIMQI-XKQJLSEDSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594213266 478277475 /nfs/dbraw/zinc/27/74/75/478277475.db2.gz UCWXUFWEEJIMQI-RRQGHBQHSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000590658815 478279641 /nfs/dbraw/zinc/27/96/41/478279641.db2.gz YMRLIBWXTYSZLU-UHFFFAOYSA-N 1 0 334.397 2.597 20 5 EFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590661465 478279974 /nfs/dbraw/zinc/27/99/74/478279974.db2.gz SZMPLJHFZWTFPN-IAGOWNOFSA-N 1 0 348.399 2.755 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCc3c(O)cccc3C1)OCCO2 ZINC000600209117 478284627 /nfs/dbraw/zinc/28/46/27/478284627.db2.gz XHONABZAPCCIOB-UHFFFAOYSA-N 1 0 342.351 2.630 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000562646339 478296303 /nfs/dbraw/zinc/29/63/03/478296303.db2.gz SFBJMDMUTAIBMP-KOLCDFICSA-N 1 0 343.836 2.679 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000570165014 478300216 /nfs/dbraw/zinc/30/02/16/478300216.db2.gz XPPHGTGGGAXLIB-UHFFFAOYSA-N 1 0 338.411 2.527 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594281054 478317989 /nfs/dbraw/zinc/31/79/89/478317989.db2.gz BDLRWTFUCSAYCO-RDJZCZTQSA-N 1 0 346.431 2.753 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590752446 478319678 /nfs/dbraw/zinc/31/96/78/478319678.db2.gz TXGIBLKULCFRRJ-CABCVRRESA-N 1 0 345.355 2.681 20 5 EFBDRO CN(C)C(=O)C1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000590755252 478320396 /nfs/dbraw/zinc/32/03/96/478320396.db2.gz BTZIECYIZSOHGB-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000537699694 478327436 /nfs/dbraw/zinc/32/74/36/478327436.db2.gz YRGVLHZYIRSATB-UHFFFAOYSA-N 1 0 342.399 2.824 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000600309513 478333367 /nfs/dbraw/zinc/33/33/67/478333367.db2.gz AZDXZTAUKCCKFL-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310567 478333797 /nfs/dbraw/zinc/33/37/97/478333797.db2.gz KERDHDFPJIVUND-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000590780370 478334845 /nfs/dbraw/zinc/33/48/45/478334845.db2.gz COFJMWKLGAPBLG-XOKHGSTOSA-N 1 0 329.400 2.715 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCC1CCCC1)OCCO2 ZINC000590781181 478335567 /nfs/dbraw/zinc/33/55/67/478335567.db2.gz QEJQAMSXKLLYKX-UHFFFAOYSA-N 1 0 336.388 2.662 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000600315932 478335779 /nfs/dbraw/zinc/33/57/79/478335779.db2.gz XJZBEVSBZAVIGF-ZDUSSCGKSA-N 1 0 342.399 2.605 20 5 EFBDRO CC1(C)C[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590781202 478336117 /nfs/dbraw/zinc/33/61/17/478336117.db2.gz FVJKHVDOFXJRBD-GFCCVEGCSA-N 1 0 336.388 2.661 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600316291 478337330 /nfs/dbraw/zinc/33/73/30/478337330.db2.gz ZCJLQKHEZSQNLU-OLZOCXBDSA-N 1 0 337.395 2.686 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000538614531 478366620 /nfs/dbraw/zinc/36/66/20/478366620.db2.gz NJJVTSSSMYSVTD-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000570505426 478374286 /nfs/dbraw/zinc/37/42/86/478374286.db2.gz DOWKEOSHQPAUET-QLFBSQMISA-N 1 0 333.432 2.935 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594418475 478374557 /nfs/dbraw/zinc/37/45/57/478374557.db2.gz JFLMTVQWBUWCEU-ZFWWWQNUSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594419134 478376175 /nfs/dbraw/zinc/37/61/75/478376175.db2.gz NOIQGYXGYBBVQX-UKRRQHHQSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000490787758 478386695 /nfs/dbraw/zinc/38/66/95/478386695.db2.gz CNCJIPWGXKPMFS-HJWRWDBZSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(CC[NH2+]CCOCC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000563001275 478410767 /nfs/dbraw/zinc/41/07/67/478410767.db2.gz RRWQQHMABJEAMK-UHFFFAOYSA-N 1 0 335.404 2.720 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594514460 478421644 /nfs/dbraw/zinc/42/16/44/478421644.db2.gz YFKWYUXQHXDJGZ-SWLSCSKDSA-N 1 0 345.403 2.675 20 5 EFBDRO Cc1cnc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 ZINC000594522966 478424526 /nfs/dbraw/zinc/42/45/26/478424526.db2.gz UDPCJQGEPGAJHO-UHFFFAOYSA-N 1 0 343.383 2.710 20 5 EFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000594520579 478424662 /nfs/dbraw/zinc/42/46/62/478424662.db2.gz JLZKKBUPSCTIJV-ZBEGNZNMSA-N 1 0 341.415 2.593 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597603273 478427423 /nfs/dbraw/zinc/42/74/23/478427423.db2.gz AZOQEHORLNWYNO-OAHLLOKOSA-N 1 0 347.415 2.500 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591062990 478446080 /nfs/dbraw/zinc/44/60/80/478446080.db2.gz DYRUNTZBLPWVIJ-OAHLLOKOSA-N 1 0 329.400 2.606 20 5 EFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594596503 478455219 /nfs/dbraw/zinc/45/52/19/478455219.db2.gz AENMOKOXXLPUBA-SJORKVTESA-N 1 0 326.400 2.994 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599220 478458872 /nfs/dbraw/zinc/45/88/72/478458872.db2.gz IGIOQHJBCXEBHH-HOCLYGCPSA-N 1 0 347.415 2.739 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000540161639 478465158 /nfs/dbraw/zinc/46/51/58/478465158.db2.gz YBLVMJZTHVURQS-GDIGMMSISA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000540161641 478465623 /nfs/dbraw/zinc/46/56/23/478465623.db2.gz YBLVMJZTHVURQS-KYNGSXCRSA-N 1 0 347.459 2.932 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597696083 478468795 /nfs/dbraw/zinc/46/87/95/478468795.db2.gz BGCMLJNJYDPFHZ-XHDPSFHLSA-N 1 0 337.395 2.563 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597709908 478473190 /nfs/dbraw/zinc/47/31/90/478473190.db2.gz CONDDDZWXZMPOJ-FZKQIMNGSA-N 1 0 349.406 2.782 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000594625512 478473231 /nfs/dbraw/zinc/47/32/31/478473231.db2.gz JYQGSUZMKRRQLU-GFCCVEGCSA-N 1 0 337.445 2.825 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597709909 478474090 /nfs/dbraw/zinc/47/40/90/478474090.db2.gz CONDDDZWXZMPOJ-SCLBCKFNSA-N 1 0 349.406 2.782 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628916 478474003 /nfs/dbraw/zinc/47/40/03/478474003.db2.gz PCPRPDSJXZNPDY-UHFFFAOYSA-N 1 0 347.415 2.742 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC000591143034 478474353 /nfs/dbraw/zinc/47/43/53/478474353.db2.gz LUCKAUPJBUDTTB-UHFFFAOYSA-N 1 0 326.360 2.645 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591146711 478474413 /nfs/dbraw/zinc/47/44/13/478474413.db2.gz RDWGDASTCMUIGM-SNVBAGLBSA-N 1 0 348.325 2.531 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC000597710121 478474592 /nfs/dbraw/zinc/47/45/92/478474592.db2.gz HEDLKLLZXZSLDR-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000540426951 478475181 /nfs/dbraw/zinc/47/51/81/478475181.db2.gz MQVFBJMWAWPINS-UHFFFAOYSA-N 1 0 342.399 2.822 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000597713572 478475710 /nfs/dbraw/zinc/47/57/10/478475710.db2.gz CFHHSFOZTHYCCE-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597714790 478475932 /nfs/dbraw/zinc/47/59/32/478475932.db2.gz JNGJRMCIJUJTCN-SFHVURJKSA-N 1 0 347.415 2.551 20 5 EFBDRO C[N@H+](Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000594651580 478479515 /nfs/dbraw/zinc/47/95/15/478479515.db2.gz DAWGLESEXLZXRN-UHFFFAOYSA-N 1 0 331.376 2.646 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496017678 478482683 /nfs/dbraw/zinc/48/26/83/478482683.db2.gz YLBFPKCUPPPQBN-SCZPIIQISA-N 1 0 345.399 2.772 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000581999024 478487191 /nfs/dbraw/zinc/48/71/91/478487191.db2.gz LMWZIHRGVVCFBJ-STQMWFEESA-N 1 0 344.358 2.750 20 5 EFBDRO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727018 478490936 /nfs/dbraw/zinc/49/09/36/478490936.db2.gz NVMQZXQCKXOMHH-NWDGAFQWSA-N 1 0 347.337 2.563 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000594692904 478498466 /nfs/dbraw/zinc/49/84/66/478498466.db2.gz FONNHADZJGDDBJ-LBPRGKRZSA-N 1 0 347.444 2.816 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@@H]4CCC[NH2+]C4)CC3)c21 ZINC000594693655 478499766 /nfs/dbraw/zinc/49/97/66/478499766.db2.gz RDVANJCLWNVGRQ-CQSZACIVSA-N 1 0 341.415 2.754 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491305494 478503086 /nfs/dbraw/zinc/50/30/86/478503086.db2.gz PGJVQIQCGRLMBN-TWGQIWQCSA-N 1 0 331.416 2.941 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591267870 478503265 /nfs/dbraw/zinc/50/32/65/478503265.db2.gz PSNHURIJWUPCNI-OAHLLOKOSA-N 1 0 348.399 2.769 20 5 EFBDRO CC1(C)CC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000594715760 478508745 /nfs/dbraw/zinc/50/87/45/478508745.db2.gz BWMHTUGZXRDHNO-OAHLLOKOSA-N 1 0 338.452 2.594 20 5 EFBDRO CC1(C)CC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000594715759 478508947 /nfs/dbraw/zinc/50/89/47/478508947.db2.gz BWMHTUGZXRDHNO-HNNXBMFYSA-N 1 0 338.452 2.594 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282616 478509607 /nfs/dbraw/zinc/50/96/07/478509607.db2.gz GBBSQIOOIVCULQ-LBPRGKRZSA-N 1 0 341.358 2.961 20 5 EFBDRO Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776246 478515414 /nfs/dbraw/zinc/51/54/14/478515414.db2.gz QGYHRHMHZKDBMP-QWHCGFSZSA-N 1 0 331.338 2.862 20 5 EFBDRO CC(C)[N@@H+]1CCO[C@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000600784504 478518811 /nfs/dbraw/zinc/51/88/11/478518811.db2.gz LEIHFXSGHYHCFF-KRWDZBQOSA-N 1 0 330.388 2.568 20 5 EFBDRO Cc1ccc(-c2cnn(C[C@@H]3C[N@H+](C(C)C)CCO3)c2)cc1[N+](=O)[O-] ZINC000600789513 478521621 /nfs/dbraw/zinc/52/16/21/478521621.db2.gz FRGVWYRZBJYOTG-KRWDZBQOSA-N 1 0 344.415 2.876 20 5 EFBDRO O=C(NC1CC1)OC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000496085537 478527302 /nfs/dbraw/zinc/52/73/02/478527302.db2.gz SFAJVSATPZQNNU-OAHLLOKOSA-N 1 0 333.388 2.838 20 5 EFBDRO C[C@@H]1CN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000591347976 478532199 /nfs/dbraw/zinc/53/21/99/478532199.db2.gz NVTPOCZPXXFENL-KDOFPFPSSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591360363 478535676 /nfs/dbraw/zinc/53/56/76/478535676.db2.gz NQVVQELSNMNXDW-HNNXBMFYSA-N 1 0 334.420 2.657 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000597853406 478540537 /nfs/dbraw/zinc/54/05/37/478540537.db2.gz AAMFUZPXSIIRLO-GFCCVEGCSA-N 1 0 344.415 2.926 20 5 EFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000600851420 478543047 /nfs/dbraw/zinc/54/30/47/478543047.db2.gz YKYZMLIOXORWRN-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436553 478550855 /nfs/dbraw/zinc/55/08/55/478550855.db2.gz BSQLNJSFEUHZRJ-BBRMVZONSA-N 1 0 339.399 2.548 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccn1 ZINC000563418829 478554659 /nfs/dbraw/zinc/55/46/59/478554659.db2.gz QCTSDRIWHROZJZ-AWEZNQCLSA-N 1 0 326.356 2.596 20 5 EFBDRO C[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000582335172 478572145 /nfs/dbraw/zinc/57/21/45/478572145.db2.gz OWGOPGUSBKTDFW-CQSZACIVSA-N 1 0 333.432 2.937 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000591528697 478574220 /nfs/dbraw/zinc/57/42/20/478574220.db2.gz PCCYSDKQULGIEV-UHFFFAOYSA-N 1 0 340.383 2.569 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597921807 478575904 /nfs/dbraw/zinc/57/59/04/478575904.db2.gz BQYXXBYKTCLCGD-CQSZACIVSA-N 1 0 349.431 2.661 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597920866 478575983 /nfs/dbraw/zinc/57/59/83/478575983.db2.gz BXOFDSROKZFMAS-CQSZACIVSA-N 1 0 344.415 2.539 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924832 478579738 /nfs/dbraw/zinc/57/97/38/478579738.db2.gz LGNLDHNSXFYIFM-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO [NH3+]C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000600952510 478582209 /nfs/dbraw/zinc/58/22/09/478582209.db2.gz PEGSXTJYPOSQQE-APPZFPTMSA-N 1 0 338.717 2.607 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591581113 478584613 /nfs/dbraw/zinc/58/46/13/478584613.db2.gz KUJPTDISYWEJKE-AVGNSLFASA-N 1 0 327.425 2.755 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491562582 478589251 /nfs/dbraw/zinc/58/92/51/478589251.db2.gz OBPDLIVBRFNLBR-HLRDLLSLSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491564991 478591771 /nfs/dbraw/zinc/59/17/71/478591771.db2.gz ZWAMFCKSSSLEGN-QWPQOLDESA-N 1 0 329.400 2.695 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000600997412 478604903 /nfs/dbraw/zinc/60/49/03/478604903.db2.gz ZSXMSZMXSHJZMV-OAHLLOKOSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591680921 478605176 /nfs/dbraw/zinc/60/51/76/478605176.db2.gz CEWGKIJDOIAEQB-JTQLQIEISA-N 1 0 333.310 2.717 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591672957 478606071 /nfs/dbraw/zinc/60/60/71/478606071.db2.gz ZYCWAEROMJJAIW-KRWDZBQOSA-N 1 0 343.383 2.570 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600998680 478606755 /nfs/dbraw/zinc/60/67/55/478606755.db2.gz OTVLHDUWIFCFSB-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591685808 478607143 /nfs/dbraw/zinc/60/71/43/478607143.db2.gz QPMJGCLZGBMYKZ-CQSZACIVSA-N 1 0 335.429 2.579 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2c(F)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000601008597 478612377 /nfs/dbraw/zinc/61/23/77/478612377.db2.gz STBMQWMRYQJUIV-PXAZEXFGSA-N 1 0 337.395 2.974 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000591728418 478614618 /nfs/dbraw/zinc/61/46/18/478614618.db2.gz XHZWEOLRCMXHGD-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000591734564 478615774 /nfs/dbraw/zinc/61/57/74/478615774.db2.gz PDNHRSFMZGVAKU-HUUCEWRRSA-N 1 0 345.399 2.861 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000591734565 478615889 /nfs/dbraw/zinc/61/58/89/478615889.db2.gz PDNHRSFMZGVAKU-LSDHHAIUSA-N 1 0 345.399 2.861 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000571525615 478617418 /nfs/dbraw/zinc/61/74/18/478617418.db2.gz DKCOUBRYHGGGIS-UHFFFAOYSA-N 1 0 340.449 2.650 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000594993766 478621053 /nfs/dbraw/zinc/62/10/53/478621053.db2.gz PZJQJOMDQXCALX-OWNNVSBGSA-N 1 0 331.416 2.845 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594994881 478621848 /nfs/dbraw/zinc/62/18/48/478621848.db2.gz WXNWKNXHHRLHDO-LSSBLYJVSA-N 1 0 345.443 2.841 20 5 EFBDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591755967 478622255 /nfs/dbraw/zinc/62/22/55/478622255.db2.gz DBUZONJTUDOUMG-MRXNPFEDSA-N 1 0 344.411 2.784 20 5 EFBDRO CNC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000594995224 478622823 /nfs/dbraw/zinc/62/28/23/478622823.db2.gz GUZAJUOAIXGKKG-UHFFFAOYSA-N 1 0 337.395 2.910 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000591771020 478625932 /nfs/dbraw/zinc/62/59/32/478625932.db2.gz KSRAJFSVGQOSLZ-CMPLNLGQSA-N 1 0 336.310 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000595011745 478628194 /nfs/dbraw/zinc/62/81/94/478628194.db2.gz MEFZJZINSOXVKM-XJKSGUPXSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000595017519 478629704 /nfs/dbraw/zinc/62/97/04/478629704.db2.gz WGXJANGATDKZNA-MNOVXSKESA-N 1 0 347.337 2.891 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000595012483 478629816 /nfs/dbraw/zinc/62/98/16/478629816.db2.gz ORTOZAVVQAOZGS-CYBMUJFWSA-N 1 0 335.404 2.657 20 5 EFBDRO CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491684098 478631265 /nfs/dbraw/zinc/63/12/65/478631265.db2.gz CQXAVMNBQWMIPC-RRFAQUSLSA-N 1 0 349.818 2.957 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026822 478632483 /nfs/dbraw/zinc/63/24/83/478632483.db2.gz MMWBQNNAZQOOLU-RYUDHWBXSA-N 1 0 335.404 2.653 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000595036595 478637853 /nfs/dbraw/zinc/63/78/53/478637853.db2.gz SMCGUIQBWJIGCZ-SWLSCSKDSA-N 1 0 348.374 2.997 20 5 EFBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595040704 478639177 /nfs/dbraw/zinc/63/91/77/478639177.db2.gz ZPIJBHFMFAJNSI-ZDUSSCGKSA-N 1 0 338.404 2.697 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044436 478639836 /nfs/dbraw/zinc/63/98/36/478639836.db2.gz MSMUGMPMAHQNMO-QWHCGFSZSA-N 1 0 335.404 2.513 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000591845232 478648128 /nfs/dbraw/zinc/64/81/28/478648128.db2.gz UYBOHAUWPNHDEB-CYBMUJFWSA-N 1 0 329.194 2.560 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000591845233 478648148 /nfs/dbraw/zinc/64/81/48/478648148.db2.gz UYBOHAUWPNHDEB-ZDUSSCGKSA-N 1 0 329.194 2.560 20 5 EFBDRO CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000595068322 478649564 /nfs/dbraw/zinc/64/95/64/478649564.db2.gz JRFJKWZJKNGGPU-CZUORRHYSA-N 1 0 329.404 2.707 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(CC)nn1 ZINC000595066702 478649800 /nfs/dbraw/zinc/64/98/00/478649800.db2.gz BJIPURXZSMCYOY-GFCCVEGCSA-N 1 0 335.433 2.867 20 5 EFBDRO CC(C)(NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000563887701 478655619 /nfs/dbraw/zinc/65/56/19/478655619.db2.gz LYFDEWRZSLXOGD-KRWDZBQOSA-N 1 0 339.395 2.833 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571705426 478658773 /nfs/dbraw/zinc/65/87/73/478658773.db2.gz HWVLUWVJEHNKRV-LSDHHAIUSA-N 1 0 333.432 2.792 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105216 478662655 /nfs/dbraw/zinc/66/26/55/478662655.db2.gz RGZIWOOHOXSFGL-GOEBONIOSA-N 1 0 333.432 2.807 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591895248 478679714 /nfs/dbraw/zinc/67/97/14/478679714.db2.gz UZUVHYAFDSLBIZ-CQSZACIVSA-N 1 0 347.415 2.597 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)co2)cc1 ZINC000582782597 478682787 /nfs/dbraw/zinc/68/27/87/478682787.db2.gz DVEMWDRAZMFTSH-CJNGLKHVSA-N 1 0 329.356 2.861 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000591903275 478685407 /nfs/dbraw/zinc/68/54/07/478685407.db2.gz LRWADFCMWUDKAG-OAHLLOKOSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595225873 478694338 /nfs/dbraw/zinc/69/43/38/478694338.db2.gz PLSHNEBCLKIUQC-JKSUJKDBSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000582828004 478694608 /nfs/dbraw/zinc/69/46/08/478694608.db2.gz KHJWXPBFTONTBX-YSVLISHTSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH3+] ZINC000595229125 478694873 /nfs/dbraw/zinc/69/48/73/478694873.db2.gz SBYZOQSYEGAKEG-MFKMUULPSA-N 1 0 346.412 2.528 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582840402 478699044 /nfs/dbraw/zinc/69/90/44/478699044.db2.gz VZOHXJCNQVWAIO-BEFAXECRSA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC[NH+](C)CC1 ZINC000601166847 478701668 /nfs/dbraw/zinc/70/16/68/478701668.db2.gz UXUKVSIVUUZSBI-AWEZNQCLSA-N 1 0 345.443 2.863 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000595267048 478707781 /nfs/dbraw/zinc/70/77/81/478707781.db2.gz CTUNNGBRACXCCD-CHWSQXEVSA-N 1 0 349.387 2.671 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595270459 478708290 /nfs/dbraw/zinc/70/82/90/478708290.db2.gz WBTDBLXAXHMVQA-IAGOWNOFSA-N 1 0 343.358 2.609 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601179204 478709017 /nfs/dbraw/zinc/70/90/17/478709017.db2.gz OVNHWLZXQUQGLC-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598219041 478710323 /nfs/dbraw/zinc/71/03/23/478710323.db2.gz KYLLRCFXMDXZBF-CQSZACIVSA-N 1 0 347.415 2.740 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220034 478711843 /nfs/dbraw/zinc/71/18/43/478711843.db2.gz NTWGZDBHZGEXFY-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO CNc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598221803 478712609 /nfs/dbraw/zinc/71/26/09/478712609.db2.gz XFEOVJDTIXUFEQ-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222078 478712922 /nfs/dbraw/zinc/71/29/22/478712922.db2.gz ZWZYZSPSIVYGRG-HNNXBMFYSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564316106 478720276 /nfs/dbraw/zinc/72/02/76/478720276.db2.gz ZNZIWJAFLBKBAK-YSVLISHTSA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1noc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000595304838 478723461 /nfs/dbraw/zinc/72/34/61/478723461.db2.gz CUYLDJDTVWIHPE-OAHLLOKOSA-N 1 0 336.436 2.979 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000598260998 478730173 /nfs/dbraw/zinc/73/01/73/478730173.db2.gz CBPDBXITLPMGNI-ZDUSSCGKSA-N 1 0 349.431 2.762 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598261998 478730811 /nfs/dbraw/zinc/73/08/11/478730811.db2.gz WUUUPUMLJYHYTP-CABCVRRESA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598262483 478730873 /nfs/dbraw/zinc/73/08/73/478730873.db2.gz KUMAPDODDXOFIB-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598262005 478731089 /nfs/dbraw/zinc/73/10/89/478731089.db2.gz WUUUPUMLJYHYTP-LSDHHAIUSA-N 1 0 333.432 2.935 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000601239440 478741556 /nfs/dbraw/zinc/74/15/56/478741556.db2.gz KWFLBZJONYMAMM-HNNXBMFYSA-N 1 0 329.404 2.632 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491929790 478743345 /nfs/dbraw/zinc/74/33/45/478743345.db2.gz UWCWNRPMXDVKIN-QPBFKRLHSA-N 1 0 349.406 2.937 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601250930 478746425 /nfs/dbraw/zinc/74/64/25/478746425.db2.gz PQKUUWOVTYDEDT-UHFFFAOYSA-N 1 0 341.371 2.734 20 5 EFBDRO Cc1noc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595403433 478762524 /nfs/dbraw/zinc/76/25/24/478762524.db2.gz FICDEHCIIIZRBC-KBPBESRZSA-N 1 0 344.415 2.986 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293609 478769086 /nfs/dbraw/zinc/76/90/86/478769086.db2.gz IHBRNDSVXMHEKS-MFKMUULPSA-N 1 0 343.309 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601293652 478769318 /nfs/dbraw/zinc/76/93/18/478769318.db2.gz IJIPSGQQZKSICY-WCQYABFASA-N 1 0 341.293 2.567 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000492016498 478783398 /nfs/dbraw/zinc/78/33/98/478783398.db2.gz GNDGNFLJBAKXKD-HJWRWDBZSA-N 1 0 329.400 2.741 20 5 EFBDRO Cc1noc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595441076 478783660 /nfs/dbraw/zinc/78/36/60/478783660.db2.gz ULRWTBXJNYRQDS-XJKSGUPXSA-N 1 0 344.415 2.891 20 5 EFBDRO Cc1noc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595441072 478783868 /nfs/dbraw/zinc/78/38/68/478783868.db2.gz ULRWTBXJNYRQDS-CJNGLKHVSA-N 1 0 344.415 2.891 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(n3)CCC4)C2)nc1 ZINC000583189425 478786960 /nfs/dbraw/zinc/78/69/60/478786960.db2.gz HZSOPSFDJPFSII-HNNXBMFYSA-N 1 0 339.399 2.560 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492027168 478787113 /nfs/dbraw/zinc/78/71/13/478787113.db2.gz ATEXAASOZWSHSZ-KTKRTIGZSA-N 1 0 331.416 2.942 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000592128961 478788751 /nfs/dbraw/zinc/78/87/51/478788751.db2.gz FIWYMHHUDOCADX-IUODEOHRSA-N 1 0 336.388 2.623 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000595447766 478789403 /nfs/dbraw/zinc/78/94/03/478789403.db2.gz QHANFCDUYJNBAR-UHFFFAOYSA-N 1 0 346.431 2.516 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000564765605 478804457 /nfs/dbraw/zinc/80/44/57/478804457.db2.gz DTYQSAFGMGPVRT-ZDUSSCGKSA-N 1 0 333.432 2.964 20 5 EFBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583259180 478805904 /nfs/dbraw/zinc/80/59/04/478805904.db2.gz XEYZRDQIZKAPBF-JQWIXIFHSA-N 1 0 336.310 2.655 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000544189208 478816032 /nfs/dbraw/zinc/81/60/32/478816032.db2.gz FYUDKRLZAMKGLP-AWEZNQCLSA-N 1 0 331.416 2.852 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181459 478816078 /nfs/dbraw/zinc/81/60/78/478816078.db2.gz DMHLZDKNPHWEML-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196703 478822637 /nfs/dbraw/zinc/82/26/37/478822637.db2.gz XDSZVSUDRSVJEZ-AWEZNQCLSA-N 1 0 347.415 2.957 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000572378491 478824196 /nfs/dbraw/zinc/82/41/96/478824196.db2.gz GTYAWVQWFAPCDE-INIZCTEOSA-N 1 0 331.416 2.640 20 5 EFBDRO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000572378606 478824314 /nfs/dbraw/zinc/82/43/14/478824314.db2.gz KYVPIVLFIMQAMR-CYBMUJFWSA-N 1 0 334.420 2.628 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592203832 478824568 /nfs/dbraw/zinc/82/45/68/478824568.db2.gz PNRBDAMGKLTISA-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CC[C@@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C)c1 ZINC000502590034 478824695 /nfs/dbraw/zinc/82/46/95/478824695.db2.gz BKNDJSXXBFTTKN-DNVCBOLYSA-N 1 0 341.411 2.980 20 5 EFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000592211793 478829009 /nfs/dbraw/zinc/82/90/09/478829009.db2.gz IYDSZELEAXGAMA-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000595536953 478839107 /nfs/dbraw/zinc/83/91/07/478839107.db2.gz YISHIKONUZQPJK-AWEZNQCLSA-N 1 0 348.447 2.648 20 5 EFBDRO CS[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000564873089 478841675 /nfs/dbraw/zinc/84/16/75/478841675.db2.gz KXJUZRAJTBFMBX-ZFWWWQNUSA-N 1 0 342.461 2.702 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592254092 478842232 /nfs/dbraw/zinc/84/22/32/478842232.db2.gz SWXGARXSIHINKK-JKSUJKDBSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592253203 478842359 /nfs/dbraw/zinc/84/23/59/478842359.db2.gz ATXWNKFSNPOETH-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592254275 478842605 /nfs/dbraw/zinc/84/26/05/478842605.db2.gz BKCHALINDLQUPQ-IRXDYDNUSA-N 1 0 345.443 2.684 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492163429 478855674 /nfs/dbraw/zinc/85/56/74/478855674.db2.gz OBLSHBXTPJSNAP-SDQPKGBYSA-N 1 0 349.406 2.841 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595566156 478859359 /nfs/dbraw/zinc/85/93/59/478859359.db2.gz LVLQGANIZVBLIZ-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565345 478859965 /nfs/dbraw/zinc/85/99/65/478859965.db2.gz GGMJLNLNWMSYNT-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568554 478860864 /nfs/dbraw/zinc/86/08/64/478860864.db2.gz WDFCZKIFUGHILB-HUBLWGQQSA-N 1 0 333.388 2.805 20 5 EFBDRO C[C@@H]1C[C@H](CCNc2ncc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000544847144 478870069 /nfs/dbraw/zinc/87/00/69/478870069.db2.gz SVQAHQKKJRRKIM-ZBFHGGJFSA-N 1 0 341.415 2.519 20 5 EFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592374798 478871387 /nfs/dbraw/zinc/87/13/87/478871387.db2.gz JROOQHHERICQMZ-BBRMVZONSA-N 1 0 346.431 2.882 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000572592157 478874474 /nfs/dbraw/zinc/87/44/74/478874474.db2.gz DEDMRGKTFAZEQS-GXTWGEPZSA-N 1 0 348.428 2.753 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595595302 478874852 /nfs/dbraw/zinc/87/48/52/478874852.db2.gz JOHOUEXDCPDQJK-MRXNPFEDSA-N 1 0 330.384 2.509 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601565812 478882925 /nfs/dbraw/zinc/88/29/25/478882925.db2.gz PPWBXFAATLCENV-AOOOYVTPSA-N 1 0 344.293 2.582 20 5 EFBDRO Cc1c(CC(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000598539442 478885508 /nfs/dbraw/zinc/88/55/08/478885508.db2.gz DYLIXJDYKUZSLR-UHFFFAOYSA-N 1 0 345.443 2.684 20 5 EFBDRO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598539870 478886063 /nfs/dbraw/zinc/88/60/63/478886063.db2.gz IJZYOWWGQARKEM-CQSZACIVSA-N 1 0 345.443 2.937 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000592428698 478891487 /nfs/dbraw/zinc/89/14/87/478891487.db2.gz MCUNKMXANKVOEV-MLGOLLRUSA-N 1 0 347.440 2.871 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000592428697 478891794 /nfs/dbraw/zinc/89/17/94/478891794.db2.gz MCUNKMXANKVOEV-LRDDRELGSA-N 1 0 347.440 2.871 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)cs2)c1 ZINC000592432859 478893567 /nfs/dbraw/zinc/89/35/67/478893567.db2.gz ZCIRQLWIQVOEPB-MLGOLLRUSA-N 1 0 344.440 2.902 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598557935 478893722 /nfs/dbraw/zinc/89/37/22/478893722.db2.gz AERTXXYWMYAWFS-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592435939 478893846 /nfs/dbraw/zinc/89/38/46/478893846.db2.gz VMGVWOGHGXPESV-ZFWWWQNUSA-N 1 0 333.363 2.987 20 5 EFBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598558093 478894124 /nfs/dbraw/zinc/89/41/24/478894124.db2.gz CLURZIHQQXVDFF-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592435914 478894227 /nfs/dbraw/zinc/89/42/27/478894227.db2.gz UWXBMSYBJLPWKB-STQMWFEESA-N 1 0 333.363 2.987 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598562103 478896213 /nfs/dbraw/zinc/89/62/13/478896213.db2.gz TUBJTESGFCIXIC-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO CS[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000492262592 478898849 /nfs/dbraw/zinc/89/88/49/478898849.db2.gz XMAQMIDWXOPWSW-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598569152 478901159 /nfs/dbraw/zinc/90/11/59/478901159.db2.gz AZJZXWQACCNKGV-AWEZNQCLSA-N 1 0 337.445 2.777 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507134464 478904655 /nfs/dbraw/zinc/90/46/55/478904655.db2.gz MCCSNDSDJJWQNC-QWHCGFSZSA-N 1 0 334.420 2.629 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000572738714 478909376 /nfs/dbraw/zinc/90/93/76/478909376.db2.gz QNSHSMYZFAAQPT-GFCCVEGCSA-N 1 0 343.387 2.945 20 5 EFBDRO CCc1nncn1CC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000545265381 478911482 /nfs/dbraw/zinc/91/14/82/478911482.db2.gz SVABLNBNCDBGRT-CYBMUJFWSA-N 1 0 349.460 2.909 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595659263 478921011 /nfs/dbraw/zinc/92/10/11/478921011.db2.gz ZLVQAKIANHDTHK-QGZVFWFLSA-N 1 0 342.395 2.701 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507438366 478921332 /nfs/dbraw/zinc/92/13/32/478921332.db2.gz CXIBVXIAVVQCBG-RDBSUJKOSA-N 1 0 335.404 2.717 20 5 EFBDRO O=c1[nH]cnc2cc(NC[C@@H]3CCCC[N@@H+]3C3CC3)c([N+](=O)[O-])cc21 ZINC000572798353 478921690 /nfs/dbraw/zinc/92/16/90/478921690.db2.gz UMFUYIOYWXWGCX-LBPRGKRZSA-N 1 0 343.387 2.672 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492315159 478925111 /nfs/dbraw/zinc/92/51/11/478925111.db2.gz AENHOUKUKOTDGM-DEBLGDTFSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507540292 478925505 /nfs/dbraw/zinc/92/55/05/478925505.db2.gz YKHIAHWSLLCWQR-AWEZNQCLSA-N 1 0 349.431 2.600 20 5 EFBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683361 478933730 /nfs/dbraw/zinc/93/37/30/478933730.db2.gz HXSQDKXWIJXZQH-INIZCTEOSA-N 1 0 346.383 2.960 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000583787024 478940343 /nfs/dbraw/zinc/94/03/43/478940343.db2.gz SVKOSNPRKZCXBE-RHSMWYFYSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000592543866 478940537 /nfs/dbraw/zinc/94/05/37/478940537.db2.gz RUULLVFBKHCTLP-LLVKDONJSA-N 1 0 343.836 2.599 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598646279 478942962 /nfs/dbraw/zinc/94/29/62/478942962.db2.gz DPKDKVWSTMGEQG-HNNXBMFYSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647759 478944463 /nfs/dbraw/zinc/94/44/63/478944463.db2.gz FDEHEKQHRYNFLY-YRGRVCCFSA-N 1 0 346.387 2.656 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702200 478946711 /nfs/dbraw/zinc/94/67/11/478946711.db2.gz SWBOUURCNRYSKA-FZMZJTMJSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595706881 478949493 /nfs/dbraw/zinc/94/94/93/478949493.db2.gz YAZLRYKOWWIPEO-SUMWQHHRSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000492363804 478950883 /nfs/dbraw/zinc/95/08/83/478950883.db2.gz BYBPZEMEZFDSCJ-SREVYHEPSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000598665393 478953916 /nfs/dbraw/zinc/95/39/16/478953916.db2.gz UTGMJBDFJWHSIO-MRXNPFEDSA-N 1 0 333.432 2.814 20 5 EFBDRO CC(C)Oc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000565226887 478958030 /nfs/dbraw/zinc/95/80/30/478958030.db2.gz RPWPDLXYWCYISD-KGLIPLIRSA-N 1 0 334.420 2.840 20 5 EFBDRO CCOc1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583929473 478972876 /nfs/dbraw/zinc/97/28/76/478972876.db2.gz LRGIGYFYHDPBIP-MRXNPFEDSA-N 1 0 346.383 2.523 20 5 EFBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573040297 478975952 /nfs/dbraw/zinc/97/59/52/478975952.db2.gz ZKAOCJQYZXSSOX-ZFWWWQNUSA-N 1 0 348.374 2.694 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000573239911 479022960 /nfs/dbraw/zinc/02/29/60/479022960.db2.gz UZIFQTUWRJFIAK-CYBMUJFWSA-N 1 0 342.237 2.883 20 5 EFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595856759 479036434 /nfs/dbraw/zinc/03/64/34/479036434.db2.gz DUEIGFQKHDDGAT-WNLZPSQYSA-N 1 0 329.400 2.963 20 5 EFBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000584173285 479041498 /nfs/dbraw/zinc/04/14/98/479041498.db2.gz LNQFIQAOJCJZBO-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1 ZINC000595879542 479047814 /nfs/dbraw/zinc/04/78/14/479047814.db2.gz SOHUTJKZPHHTLN-UHFFFAOYSA-N 1 0 340.383 2.732 20 5 EFBDRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000592802766 479051045 /nfs/dbraw/zinc/05/10/45/479051045.db2.gz FEQOUKSDNCVOSX-FRFSOERESA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000601878998 479054189 /nfs/dbraw/zinc/05/41/89/479054189.db2.gz DUOUPRFLEDLBTJ-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595907539 479062549 /nfs/dbraw/zinc/06/25/49/479062549.db2.gz AHJCBUPKOJEBNI-NWDGAFQWSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595909436 479063975 /nfs/dbraw/zinc/06/39/75/479063975.db2.gz NQRVOHPKFQHKBV-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592832189 479064084 /nfs/dbraw/zinc/06/40/84/479064084.db2.gz STERVWYWZOZVQH-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCSCC[N@@H+](C)Cc1ccccc1 ZINC000601910918 479068316 /nfs/dbraw/zinc/06/83/16/479068316.db2.gz CFEQLQIVLVQYBN-UHFFFAOYSA-N 1 0 334.445 2.965 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000514797741 479069218 /nfs/dbraw/zinc/06/92/18/479069218.db2.gz YXQRHHGZWZGWQE-INIZCTEOSA-N 1 0 349.456 2.901 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000598913867 479083156 /nfs/dbraw/zinc/08/31/56/479083156.db2.gz QHFBBIOQIFOBFI-OUAUKWLOSA-N 1 0 338.795 2.758 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914507 479083207 /nfs/dbraw/zinc/08/32/07/479083207.db2.gz GRBFEHMDFMAGLX-LBPRGKRZSA-N 1 0 326.784 2.758 20 5 EFBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598912851 479083448 /nfs/dbraw/zinc/08/34/48/479083448.db2.gz CKALEQADSYGZKU-SECBINFHSA-N 1 0 340.689 2.649 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914532 479084319 /nfs/dbraw/zinc/08/43/19/479084319.db2.gz GYMUWZDSHCLRNF-SKDRFNHKSA-N 1 0 326.784 2.887 20 5 EFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000598916000 479084614 /nfs/dbraw/zinc/08/46/14/479084614.db2.gz SMIPJKQDFBRZEM-UWVGGRQHSA-N 1 0 326.784 2.758 20 5 EFBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000595982232 479087867 /nfs/dbraw/zinc/08/78/67/479087867.db2.gz CAPOYULNTYRHEK-LLVKDONJSA-N 1 0 337.445 2.967 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000584309125 479090111 /nfs/dbraw/zinc/09/01/11/479090111.db2.gz QROQWEJHQBFGIO-KGLIPLIRSA-N 1 0 347.415 2.753 20 5 EFBDRO COc1cc(C[NH2+]CC2(O)CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000596058267 479112391 /nfs/dbraw/zinc/11/23/91/479112391.db2.gz GXZRDOMKZUSIRY-UHFFFAOYSA-N 1 0 338.404 2.643 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493690990 479116369 /nfs/dbraw/zinc/11/63/69/479116369.db2.gz MBFDNZBWTVNQTM-VGVVRCBHSA-N 1 0 335.379 2.547 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598989018 479116445 /nfs/dbraw/zinc/11/64/45/479116445.db2.gz XZOFQNAUICYLGO-JHAQOBCDSA-N 1 0 325.359 2.927 20 5 EFBDRO Nc1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc1[N+](=O)[O-] ZINC000596066685 479117076 /nfs/dbraw/zinc/11/70/76/479117076.db2.gz GRAFIESDYFUXSF-UHFFFAOYSA-N 1 0 341.415 2.592 20 5 EFBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000596065591 479117435 /nfs/dbraw/zinc/11/74/35/479117435.db2.gz TVCQMKPZYVNYPI-INIZCTEOSA-N 1 0 335.404 2.718 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000596073922 479122338 /nfs/dbraw/zinc/12/23/38/479122338.db2.gz OOZNQEPSXLYSRV-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596076170 479123335 /nfs/dbraw/zinc/12/33/35/479123335.db2.gz LZICNISWXDMEDU-UHFFFAOYSA-N 1 0 341.433 2.652 20 5 EFBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000596075194 479123395 /nfs/dbraw/zinc/12/33/95/479123395.db2.gz JOQXUBWBNITYPC-SNVBAGLBSA-N 1 0 334.401 2.616 20 5 EFBDRO Cc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000596075334 479123677 /nfs/dbraw/zinc/12/36/77/479123677.db2.gz MIYLGKIJKNSOBW-CYBMUJFWSA-N 1 0 325.434 2.656 20 5 EFBDRO CC1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000596092668 479132997 /nfs/dbraw/zinc/13/29/97/479132997.db2.gz CIVOQEVDIMKVDC-KRIMKBQASA-N 1 0 336.436 2.806 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC(C)CC1 ZINC000596095981 479135197 /nfs/dbraw/zinc/13/51/97/479135197.db2.gz SMYKIGPLBHFVKM-TXKKKEFDSA-N 1 0 349.431 2.843 20 5 EFBDRO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599042724 479136177 /nfs/dbraw/zinc/13/61/77/479136177.db2.gz FKKFANJMAGIDLR-GFCCVEGCSA-N 1 0 346.431 2.629 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593040559 479138051 /nfs/dbraw/zinc/13/80/51/479138051.db2.gz JOSFWSAOPYFTML-UHFFFAOYSA-N 1 0 345.374 2.871 20 5 EFBDRO Cc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000596108388 479141886 /nfs/dbraw/zinc/14/18/86/479141886.db2.gz BMEJHDUGCUDUQF-ZDUSSCGKSA-N 1 0 332.360 2.846 20 5 EFBDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000593046082 479142443 /nfs/dbraw/zinc/14/24/43/479142443.db2.gz MVCACUPPWITZMU-AWEZNQCLSA-N 1 0 347.440 2.869 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1CC ZINC000599062440 479143998 /nfs/dbraw/zinc/14/39/98/479143998.db2.gz QCTYNIKMYMSZTK-GFCCVEGCSA-N 1 0 335.433 2.867 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751574 479145268 /nfs/dbraw/zinc/14/52/68/479145268.db2.gz VMFPWURZCUXHOK-SUZKBHRPSA-N 1 0 347.390 2.691 20 5 EFBDRO CSC1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000493752742 479145899 /nfs/dbraw/zinc/14/58/99/479145899.db2.gz LEHZKUPTYWJQGH-VMPITWQZSA-N 1 0 349.456 2.552 20 5 EFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593057307 479149225 /nfs/dbraw/zinc/14/92/25/479149225.db2.gz SLWGNKYIUUKWIG-CYBMUJFWSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063179 479151524 /nfs/dbraw/zinc/15/15/24/479151524.db2.gz RCFZKVGQNPSLIO-GXTWGEPZSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596126710 479153379 /nfs/dbraw/zinc/15/33/79/479153379.db2.gz MPWASYROBWULFU-UONOGXRCSA-N 1 0 333.436 2.663 20 5 EFBDRO CC[C@@H](F)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000515363404 479155480 /nfs/dbraw/zinc/15/54/80/479155480.db2.gz AFCNJAVRRVJJJH-GFCCVEGCSA-N 1 0 335.383 2.731 20 5 EFBDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000593079154 479160738 /nfs/dbraw/zinc/16/07/38/479160738.db2.gz BASGJMKMKNZWMN-MRXNPFEDSA-N 1 0 344.415 2.897 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NCCc1ccccc1 ZINC000573862402 479161650 /nfs/dbraw/zinc/16/16/50/479161650.db2.gz KOTWYFCINREFHA-QGZVFWFLSA-N 1 0 339.395 2.531 20 5 EFBDRO CC(C)[N@H+](CCCCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610734220 479170710 /nfs/dbraw/zinc/17/07/10/479170710.db2.gz JBGSOBBZGLPZQD-UHFFFAOYSA-N 1 0 328.434 2.630 20 5 EFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000599128554 479171472 /nfs/dbraw/zinc/17/14/72/479171472.db2.gz OWCVXQXVJJJWQO-QGZVFWFLSA-N 1 0 341.415 2.732 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596160371 479171694 /nfs/dbraw/zinc/17/16/94/479171694.db2.gz UWQOAWKMHQKJGN-UHFFFAOYSA-N 1 0 348.447 2.864 20 5 EFBDRO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000596167472 479175564 /nfs/dbraw/zinc/17/55/64/479175564.db2.gz HXISZXUCBMAJSS-AWEZNQCLSA-N 1 0 335.404 2.577 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602105877 479178029 /nfs/dbraw/zinc/17/80/29/479178029.db2.gz AFDNFARTQQJSOA-CQSZACIVSA-N 1 0 335.429 2.511 20 5 EFBDRO COC(=O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000610770646 479182459 /nfs/dbraw/zinc/18/24/59/479182459.db2.gz BHHDKYGUIYBJRM-UHFFFAOYSA-N 1 0 336.388 2.781 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000602997021 479186179 /nfs/dbraw/zinc/18/61/79/479186179.db2.gz AWBSXKISGUDKJE-QRTARXTBSA-N 1 0 347.415 2.549 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000602998078 479188243 /nfs/dbraw/zinc/18/82/43/479188243.db2.gz WWQIKBXCOHDWMD-INWMFGNUSA-N 1 0 338.379 2.868 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189906 479188267 /nfs/dbraw/zinc/18/82/67/479188267.db2.gz NDJLCWKPZPPVBD-OLZOCXBDSA-N 1 0 346.431 2.759 20 5 EFBDRO CC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596191723 479190287 /nfs/dbraw/zinc/19/02/87/479190287.db2.gz CWVUUIRORCBDMB-HNNXBMFYSA-N 1 0 342.399 2.796 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988062 479191154 /nfs/dbraw/zinc/19/11/54/479191154.db2.gz XSVTXKYUSRHKFV-JYJNAYRXSA-N 1 0 335.452 2.739 20 5 EFBDRO CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197658 479193622 /nfs/dbraw/zinc/19/36/22/479193622.db2.gz ZDROIABZUOLBNE-QWHCGFSZSA-N 1 0 342.852 2.659 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000610815104 479196426 /nfs/dbraw/zinc/19/64/26/479196426.db2.gz SEOAYAVTPUXWJL-PBHICJAKSA-N 1 0 334.416 2.559 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584664292 479199847 /nfs/dbraw/zinc/19/98/47/479199847.db2.gz BLVQBFNHOBWQBW-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859984 479211985 /nfs/dbraw/zinc/21/19/85/479211985.db2.gz ZAFKLITYSQYXDJ-UHFFFAOYSA-N 1 0 326.393 2.729 20 5 EFBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596246708 479222202 /nfs/dbraw/zinc/22/22/02/479222202.db2.gz YDFYYYOMWFYKFS-CJNGLKHVSA-N 1 0 341.415 2.889 20 5 EFBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000596251137 479224277 /nfs/dbraw/zinc/22/42/77/479224277.db2.gz ORLRBCDEKZORSM-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO Cc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000596254145 479225846 /nfs/dbraw/zinc/22/58/46/479225846.db2.gz LPKZGVMJUKFLJC-UHFFFAOYSA-N 1 0 339.411 2.619 20 5 EFBDRO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000596257072 479226576 /nfs/dbraw/zinc/22/65/76/479226576.db2.gz KLWBNEGDIJJMNB-CQSZACIVSA-N 1 0 342.399 2.654 20 5 EFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000596257808 479226804 /nfs/dbraw/zinc/22/68/04/479226804.db2.gz MRFJTOXIHAENMB-PHIMTYICSA-N 1 0 347.337 2.505 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1C(F)(F)F ZINC000596259748 479227948 /nfs/dbraw/zinc/22/79/48/479227948.db2.gz VZWFLXUGEQHPHG-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593187642 479228394 /nfs/dbraw/zinc/22/83/94/479228394.db2.gz NGVFABHYZGZEOG-YNEHKIRRSA-N 1 0 337.445 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C(F)(F)F ZINC000596262568 479229634 /nfs/dbraw/zinc/22/96/34/479229634.db2.gz GRICYIYJVFDMKE-TXEJJXNPSA-N 1 0 345.321 2.889 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593188571 479230105 /nfs/dbraw/zinc/23/01/05/479230105.db2.gz LWIQPQUVTRUSIA-UTUOFQBUSA-N 1 0 339.823 2.730 20 5 EFBDRO CSc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188123 479230533 /nfs/dbraw/zinc/23/05/33/479230533.db2.gz VTRSTJSOBGFGBC-WOPDTQHZSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593189640 479230641 /nfs/dbraw/zinc/23/06/41/479230641.db2.gz WNBMKHLTFFSANT-UPJWGTAASA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000593190526 479232190 /nfs/dbraw/zinc/23/21/90/479232190.db2.gz MFZQFBFUPLRLBP-LKFLVWNSSA-N 1 0 331.416 2.638 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000603084596 479238739 /nfs/dbraw/zinc/23/87/39/479238739.db2.gz UVDAKKYPAWCCHI-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO Cc1nc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000602284714 479270835 /nfs/dbraw/zinc/27/08/35/479270835.db2.gz GMSINTFGWATOSB-HNNXBMFYSA-N 1 0 340.383 2.759 20 5 EFBDRO Cc1nc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000602284716 479271115 /nfs/dbraw/zinc/27/11/15/479271115.db2.gz GMSINTFGWATOSB-OAHLLOKOSA-N 1 0 340.383 2.759 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000557544434 479288008 /nfs/dbraw/zinc/28/80/08/479288008.db2.gz VTOTYFXFGBMKHX-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596427151 479292119 /nfs/dbraw/zinc/29/21/19/479292119.db2.gz AEDRMUOFIHQGAK-CYBMUJFWSA-N 1 0 329.404 2.534 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611151265 479295307 /nfs/dbraw/zinc/29/53/07/479295307.db2.gz WLJJALLJCNYZGP-CQSZACIVSA-N 1 0 344.415 2.609 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C2(CO)CCCC2)n1 ZINC000599434042 479295836 /nfs/dbraw/zinc/29/58/36/479295836.db2.gz PIXPVCYIHPQONT-UHFFFAOYSA-N 1 0 344.415 2.599 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000596467827 479308232 /nfs/dbraw/zinc/30/82/32/479308232.db2.gz VFPSFDQFGIYXQG-INIZCTEOSA-N 1 0 326.400 2.743 20 5 EFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596480163 479312074 /nfs/dbraw/zinc/31/20/74/479312074.db2.gz WSPWDZJEANOING-AWEZNQCLSA-N 1 0 346.431 2.773 20 5 EFBDRO CC(C)[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231022 479313312 /nfs/dbraw/zinc/31/33/12/479313312.db2.gz JTKBONDATZOQAU-ZDUSSCGKSA-N 1 0 343.309 2.909 20 5 EFBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231021 479313402 /nfs/dbraw/zinc/31/34/02/479313402.db2.gz JTKBONDATZOQAU-CYBMUJFWSA-N 1 0 343.309 2.909 20 5 EFBDRO Cc1cc(N2CCC[C@@H]2[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596488287 479314120 /nfs/dbraw/zinc/31/41/20/479314120.db2.gz MYXYKUJUHYXRTR-SWLSCSKDSA-N 1 0 328.372 2.710 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574602438 479315044 /nfs/dbraw/zinc/31/50/44/479315044.db2.gz UNAIPCNPSJFFQB-CYBMUJFWSA-N 1 0 342.399 2.826 20 5 EFBDRO COCCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000599506793 479315845 /nfs/dbraw/zinc/31/58/45/479315845.db2.gz IPHGWUJLZSWPKI-UHFFFAOYSA-N 1 0 336.388 2.710 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718322 479315949 /nfs/dbraw/zinc/31/59/49/479315949.db2.gz CKORFFGVTRVEDT-QGZVFWFLSA-N 1 0 333.432 2.590 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000596496613 479317005 /nfs/dbraw/zinc/31/70/05/479317005.db2.gz LMQQAMURIHFTSP-UHFFFAOYSA-N 1 0 332.404 2.838 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593389475 479322768 /nfs/dbraw/zinc/32/27/68/479322768.db2.gz YDFCKTIOJZVEPP-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611254050 479324878 /nfs/dbraw/zinc/32/48/78/479324878.db2.gz KFXRYXCSIAKSTJ-JGIVAVPZSA-N 1 0 345.443 2.795 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000611256577 479326069 /nfs/dbraw/zinc/32/60/69/479326069.db2.gz HIFFBDUIYBMRMD-AWEZNQCLSA-N 1 0 344.415 2.854 20 5 EFBDRO C[C@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000602440665 479332669 /nfs/dbraw/zinc/33/26/69/479332669.db2.gz AENRUVYMBRRSSL-ZDUSSCGKSA-N 1 0 339.395 2.660 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273909 479333453 /nfs/dbraw/zinc/33/34/53/479333453.db2.gz WPFIBTWCQULORW-OAHLLOKOSA-N 1 0 349.431 2.672 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000593422995 479334475 /nfs/dbraw/zinc/33/44/75/479334475.db2.gz RIHUUAALBTULBV-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO Cn1cc(C[C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000611276251 479335510 /nfs/dbraw/zinc/33/55/10/479335510.db2.gz FMDRCLSNFNMVES-ZDTYVGOBSA-N 1 0 326.400 2.906 20 5 EFBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446532 479336604 /nfs/dbraw/zinc/33/66/04/479336604.db2.gz FXIZTFJRZJGHMC-VIFPVBQESA-N 1 0 334.294 2.855 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000574729515 479336943 /nfs/dbraw/zinc/33/69/43/479336943.db2.gz RNIXLFCOVPRREV-RHSMWYFYSA-N 1 0 347.415 2.731 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000574729509 479337086 /nfs/dbraw/zinc/33/70/86/479337086.db2.gz RNIXLFCOVPRREV-PBHICJAKSA-N 1 0 347.415 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CC[N@@H+]3Cc3ccccc3)c2c1 ZINC000596556319 479337979 /nfs/dbraw/zinc/33/79/79/479337979.db2.gz AMQVJGMHNRRVJI-MRXNPFEDSA-N 1 0 349.394 2.646 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593434378 479339187 /nfs/dbraw/zinc/33/91/87/479339187.db2.gz DFYWORPJFLHWLT-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](CC3CC3)CC2)nc2sccn21 ZINC000596562747 479340265 /nfs/dbraw/zinc/34/02/65/479340265.db2.gz PYDIMJBQWKWCGM-UHFFFAOYSA-N 1 0 335.433 2.838 20 5 EFBDRO CC(C)Oc1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570456 479343682 /nfs/dbraw/zinc/34/36/82/479343682.db2.gz LKYUAUMROOVXIC-OAHLLOKOSA-N 1 0 348.447 2.733 20 5 EFBDRO CCC1(O)CCC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000611314612 479346821 /nfs/dbraw/zinc/34/68/21/479346821.db2.gz RXAWANGAPHYDFT-UHFFFAOYSA-N 1 0 338.404 2.785 20 5 EFBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000599603030 479348563 /nfs/dbraw/zinc/34/85/63/479348563.db2.gz CWUJZVRDMHGVNP-JOYOIKCWSA-N 1 0 346.309 2.586 20 5 EFBDRO CCC1(O)CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611327574 479349570 /nfs/dbraw/zinc/34/95/70/479349570.db2.gz KAVARDARUOSVND-UQHVZDHRSA-N 1 0 349.431 2.985 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CCCCC1 ZINC000611336568 479350372 /nfs/dbraw/zinc/35/03/72/479350372.db2.gz RHTRPHRWXJJUPA-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nncn1CC ZINC000611336051 479350732 /nfs/dbraw/zinc/35/07/32/479350732.db2.gz YKTVVVLEDVYLAJ-ZDUSSCGKSA-N 1 0 349.460 2.909 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000586790701 479354711 /nfs/dbraw/zinc/35/47/11/479354711.db2.gz WQDWJVADHNYLPX-LXZKKBNFSA-N 1 0 344.415 2.558 20 5 EFBDRO O=c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 ZINC000602476314 479355403 /nfs/dbraw/zinc/35/54/03/479355403.db2.gz MUHYJXDLSGKDMR-UHFFFAOYSA-N 1 0 329.356 2.739 20 5 EFBDRO CCOCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000599626725 479358494 /nfs/dbraw/zinc/35/84/94/479358494.db2.gz ZDGANQAJXWYUIG-GOSISDBHSA-N 1 0 344.415 2.817 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000593483851 479361650 /nfs/dbraw/zinc/36/16/50/479361650.db2.gz JVDGSEMIMIMNQD-RRFJBIMHSA-N 1 0 343.431 2.816 20 5 EFBDRO COc1cccc2c1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000599645099 479366420 /nfs/dbraw/zinc/36/64/20/479366420.db2.gz MNNAGTGTYAGWAG-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395665 479366653 /nfs/dbraw/zinc/36/66/53/479366653.db2.gz RNAHJVVVUMBGSR-HNNXBMFYSA-N 1 0 339.823 2.985 20 5 EFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409152 479370385 /nfs/dbraw/zinc/37/03/85/479370385.db2.gz UXOMFSIBOBLCLB-SNVBAGLBSA-N 1 0 332.360 2.879 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599655751 479373174 /nfs/dbraw/zinc/37/31/74/479373174.db2.gz OPMQDCMJRTYIKJ-WVSHTKLVSA-N 1 0 329.194 2.560 20 5 EFBDRO COc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602508949 479373357 /nfs/dbraw/zinc/37/33/57/479373357.db2.gz PFSQWNHHZRLTOT-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603405705 479375199 /nfs/dbraw/zinc/37/51/99/479375199.db2.gz DJKTXTLLOGZDQZ-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000602513181 479376308 /nfs/dbraw/zinc/37/63/08/479376308.db2.gz AGSBLIIREBCEIC-QWHCGFSZSA-N 1 0 332.404 2.946 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000603426029 479382328 /nfs/dbraw/zinc/38/23/28/479382328.db2.gz BYYUGVJUXRKWTC-GFCCVEGCSA-N 1 0 330.331 2.837 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602527064 479383439 /nfs/dbraw/zinc/38/34/39/479383439.db2.gz JIZCALGPAQAJCI-ZDUSSCGKSA-N 1 0 333.413 2.880 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602541267 479388571 /nfs/dbraw/zinc/38/85/71/479388571.db2.gz PJEMRULYCKDARX-JQWIXIFHSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541214 479388755 /nfs/dbraw/zinc/38/87/55/479388755.db2.gz OGNGYNNAKWAOSF-QWRGUYRKSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541495 479388868 /nfs/dbraw/zinc/38/88/68/479388868.db2.gz PNGOVZMWKHCKNA-MFKMUULPSA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588071864 479389250 /nfs/dbraw/zinc/38/92/50/479389250.db2.gz IMAJSWWHEZIDBN-JSGCOSHPSA-N 1 0 327.388 2.601 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000575020506 479390198 /nfs/dbraw/zinc/39/01/98/479390198.db2.gz SPQKWTQFMIWDHT-HNNXBMFYSA-N 1 0 346.383 2.523 20 5 EFBDRO C[C@@H](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000596693267 479391378 /nfs/dbraw/zinc/39/13/78/479391378.db2.gz DELOUMFNKWEKBV-VIFPVBQESA-N 1 0 346.334 2.658 20 5 EFBDRO COC1CCN(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602544957 479391465 /nfs/dbraw/zinc/39/14/65/479391465.db2.gz CUYCQXHXNFPBNN-UHFFFAOYSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)nc1 ZINC000593575613 479391613 /nfs/dbraw/zinc/39/16/13/479391613.db2.gz IJMZAOLITUIFPM-ZDUSSCGKSA-N 1 0 339.355 2.817 20 5 EFBDRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555144 479395385 /nfs/dbraw/zinc/39/53/85/479395385.db2.gz OSMULLTZLYMXIC-NSHDSACASA-N 1 0 345.403 2.914 20 5 EFBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556737 479395575 /nfs/dbraw/zinc/39/55/75/479395575.db2.gz MHNRGPIRDKOJRN-UFBFGSQYSA-N 1 0 338.351 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOCC3CCOCC3)nc2c1 ZINC000602560781 479398041 /nfs/dbraw/zinc/39/80/41/479398041.db2.gz UHMLIBFKZXZEPR-UHFFFAOYSA-N 1 0 349.387 2.659 20 5 EFBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565710 479399091 /nfs/dbraw/zinc/39/90/91/479399091.db2.gz RQINFRAHTBNQPL-OIBJUYFYSA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000593599977 479399083 /nfs/dbraw/zinc/39/90/83/479399083.db2.gz FCRMKFZQNWKWBY-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611515107 479401806 /nfs/dbraw/zinc/40/18/06/479401806.db2.gz XZDMVDDDFZZFAY-RDJZCZTQSA-N 1 0 333.432 2.761 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570940 479402525 /nfs/dbraw/zinc/40/25/25/479402525.db2.gz YMONNOSOWVZYRT-LBPRGKRZSA-N 1 0 345.321 2.714 20 5 EFBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602575635 479404760 /nfs/dbraw/zinc/40/47/60/479404760.db2.gz UCBIBBQWGSRGOF-UHFFFAOYSA-N 1 0 347.337 2.866 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602574548 479404890 /nfs/dbraw/zinc/40/48/90/479404890.db2.gz BCJOEFKZXXCIMN-CQSZACIVSA-N 1 0 334.420 2.506 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602576212 479405950 /nfs/dbraw/zinc/40/59/50/479405950.db2.gz JXNFNCIHKMQSCM-RYUDHWBXSA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@@H](CO)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576378 479406365 /nfs/dbraw/zinc/40/63/65/479406365.db2.gz BLOZACBBDPCVCK-MRVPVSSYSA-N 1 0 337.239 2.917 20 5 EFBDRO O=[N+]([O-])c1ccsc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611539854 479409046 /nfs/dbraw/zinc/40/90/46/479409046.db2.gz MWXUBDIUVFSNPA-UHFFFAOYSA-N 1 0 339.461 2.985 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000603589974 479409775 /nfs/dbraw/zinc/40/97/75/479409775.db2.gz XGWMXHXBHVMSCM-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CCOCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602583627 479409919 /nfs/dbraw/zinc/40/99/19/479409919.db2.gz SEYZHSRMYDUQIH-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587739 479412209 /nfs/dbraw/zinc/41/22/09/479412209.db2.gz HGPMCWNYTHHXKX-AAEUAGOBSA-N 1 0 347.440 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3nccs3)CC2)cn1 ZINC000602595312 479414957 /nfs/dbraw/zinc/41/49/57/479414957.db2.gz YHKXJLZMEHGVRS-UHFFFAOYSA-N 1 0 347.444 2.638 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([NH+]4CCCC4)C3)c21 ZINC000611564975 479417031 /nfs/dbraw/zinc/41/70/31/479417031.db2.gz BLJKXNGOIBIFDN-ZDUSSCGKSA-N 1 0 327.388 2.603 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602600928 479419324 /nfs/dbraw/zinc/41/93/24/479419324.db2.gz XGGVFGAQOIVCMP-HAQNSBGRSA-N 1 0 337.445 2.954 20 5 EFBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593682136 479421388 /nfs/dbraw/zinc/42/13/88/479421388.db2.gz NVDBUMSWSTVVKA-CHWSQXEVSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)COCC1CC1 ZINC000593681249 479421495 /nfs/dbraw/zinc/42/14/95/479421495.db2.gz BQJWGTJISMIESS-OLZOCXBDSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602607052 479421681 /nfs/dbraw/zinc/42/16/81/479421681.db2.gz FWWCGULVKUHJGK-SECBINFHSA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602610167 479421695 /nfs/dbraw/zinc/42/16/95/479421695.db2.gz GZEKEQPPRWLKHJ-JTQLQIEISA-N 1 0 332.326 2.889 20 5 EFBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593681248 479422029 /nfs/dbraw/zinc/42/20/29/479422029.db2.gz BQJWGTJISMIESS-CHWSQXEVSA-N 1 0 335.404 2.717 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000593687192 479422841 /nfs/dbraw/zinc/42/28/41/479422841.db2.gz FPLSCXGLVTULDV-UHFFFAOYSA-N 1 0 334.372 2.569 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@]3(O)CCCOC3)o2)c1 ZINC000593691034 479423695 /nfs/dbraw/zinc/42/36/95/479423695.db2.gz JNEYANZUJIYSHT-SFHVURJKSA-N 1 0 346.383 2.876 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@]3(O)CCCOC3)o2)cc1 ZINC000593690989 479423753 /nfs/dbraw/zinc/42/37/53/479423753.db2.gz GQTCXONQAVULQH-SFHVURJKSA-N 1 0 346.383 2.876 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620698 479429043 /nfs/dbraw/zinc/42/90/43/479429043.db2.gz DGRPNYJJXBKKEF-RKDXNWHRSA-N 1 0 335.223 2.668 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593705886 479430532 /nfs/dbraw/zinc/43/05/32/479430532.db2.gz DUIZZXOXTJGBPW-UHFFFAOYSA-N 1 0 348.447 2.606 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593716424 479433259 /nfs/dbraw/zinc/43/32/59/479433259.db2.gz BXFHOIQAVNPMOW-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593720960 479434515 /nfs/dbraw/zinc/43/45/15/479434515.db2.gz NMXWLSFFWNCOEM-SUMWQHHRSA-N 1 0 338.404 2.576 20 5 EFBDRO CCOC(=O)c1csc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602630271 479435311 /nfs/dbraw/zinc/43/53/11/479435311.db2.gz ONJLKWCFWLNTCO-UHFFFAOYSA-N 1 0 349.412 2.603 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000593730615 479436491 /nfs/dbraw/zinc/43/64/91/479436491.db2.gz PAYPNTOKZVPZNX-UHFFFAOYSA-N 1 0 337.395 2.659 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575401324 479437331 /nfs/dbraw/zinc/43/73/31/479437331.db2.gz SPGOXEICFWBXIP-SFYZADRCSA-N 1 0 334.298 2.861 20 5 EFBDRO C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733364 479437229 /nfs/dbraw/zinc/43/72/29/479437229.db2.gz LWSDGMRJMXOKNJ-SWLSCSKDSA-N 1 0 345.403 2.594 20 5 EFBDRO C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733362 479437755 /nfs/dbraw/zinc/43/77/55/479437755.db2.gz LWSDGMRJMXOKNJ-DOMZBBRYSA-N 1 0 345.403 2.594 20 5 EFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000614533754 479437798 /nfs/dbraw/zinc/43/77/98/479437798.db2.gz ULGYDBKEPPBXGX-QGZVFWFLSA-N 1 0 347.440 2.730 20 5 EFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000603854063 479439264 /nfs/dbraw/zinc/43/92/64/479439264.db2.gz NDJHXEZNULJXGZ-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCC[N@@H+]3C3CC3)nc2c1 ZINC000602635474 479439489 /nfs/dbraw/zinc/43/94/89/479439489.db2.gz ZAGHVRAIUXAPSG-AWEZNQCLSA-N 1 0 330.388 2.843 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000602641481 479442644 /nfs/dbraw/zinc/44/26/44/479442644.db2.gz SCFBGFRBQQLJGK-RISCZKNCSA-N 1 0 348.321 2.755 20 5 EFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602641827 479442837 /nfs/dbraw/zinc/44/28/37/479442837.db2.gz FMWZAQATMLGHCD-AWEZNQCLSA-N 1 0 345.321 2.572 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1Br ZINC000602647094 479446204 /nfs/dbraw/zinc/44/62/04/479446204.db2.gz SSMBOTJYXYCGMA-JGVFFNPUSA-N 1 0 335.223 2.669 20 5 EFBDRO CCOC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602649498 479447112 /nfs/dbraw/zinc/44/71/12/479447112.db2.gz JXHLTGGEUNTLTR-UHFFFAOYSA-N 1 0 331.372 2.774 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651980 479449302 /nfs/dbraw/zinc/44/93/02/479449302.db2.gz BIPRAAOVSDGNNO-SWLSCSKDSA-N 1 0 330.388 2.795 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNc1sccc1[N+](=O)[O-] ZINC000588855521 479449510 /nfs/dbraw/zinc/44/95/10/479449510.db2.gz REJQLXDAWVIUAX-UHFFFAOYSA-N 1 0 336.417 2.994 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708525 479453164 /nfs/dbraw/zinc/45/31/64/479453164.db2.gz DTBVWGCRMVLCMM-CYBMUJFWSA-N 1 0 343.431 2.882 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709378 479453319 /nfs/dbraw/zinc/45/33/19/479453319.db2.gz TZPKJRXJLMTWOT-CYBMUJFWSA-N 1 0 329.404 2.636 20 5 EFBDRO CNc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000603939797 479455305 /nfs/dbraw/zinc/45/53/05/479455305.db2.gz DFZMGCQAZAXSPX-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602661907 479457645 /nfs/dbraw/zinc/45/76/45/479457645.db2.gz INRRREKPBAXHBX-UHFFFAOYSA-N 1 0 344.371 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000602671130 479464516 /nfs/dbraw/zinc/46/45/16/479464516.db2.gz QNBUZWWTPKDDRC-MOPGFXCFSA-N 1 0 326.396 2.893 20 5 EFBDRO CC(C)(CO)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602672732 479466019 /nfs/dbraw/zinc/46/60/19/479466019.db2.gz GVJOVRWIUQCUFL-UHFFFAOYSA-N 1 0 337.239 2.917 20 5 EFBDRO CCc1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602672379 479466182 /nfs/dbraw/zinc/46/61/82/479466182.db2.gz YNXMNEDZSSNDBH-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO CCc1noc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602675670 479468104 /nfs/dbraw/zinc/46/81/04/479468104.db2.gz NRFQQXGQSHWYHP-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000611772944 479474186 /nfs/dbraw/zinc/47/41/86/479474186.db2.gz SFWLLPPVZRSBBS-OAHLLOKOSA-N 1 0 339.823 2.545 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602689374 479476284 /nfs/dbraw/zinc/47/62/84/479476284.db2.gz GFSWOUSIPFJMMJ-FZKQIMNGSA-N 1 0 348.447 2.752 20 5 EFBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(C)C ZINC000602693613 479480949 /nfs/dbraw/zinc/48/09/49/479480949.db2.gz CQQYGGVNPAQRRA-INIZCTEOSA-N 1 0 336.436 2.609 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000604198255 479483512 /nfs/dbraw/zinc/48/35/12/479483512.db2.gz DWCNJVJEYYLCAM-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO CC1(C)CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000602698236 479483643 /nfs/dbraw/zinc/48/36/43/479483643.db2.gz MSJMJZNYUVNLOE-GFCCVEGCSA-N 1 0 348.321 2.585 20 5 EFBDRO CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985202 479487424 /nfs/dbraw/zinc/48/74/24/479487424.db2.gz ABMKLTMVIVOCRA-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000599986507 479487955 /nfs/dbraw/zinc/48/79/55/479487955.db2.gz VWLAJQMHKDGRFL-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614712674 479489496 /nfs/dbraw/zinc/48/94/96/479489496.db2.gz QCXXMMLDJKHWNY-KCPJHIHWSA-N 1 0 337.445 2.674 20 5 EFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704594 479489722 /nfs/dbraw/zinc/48/97/22/479489722.db2.gz AXYGJJRRXAZZGP-FNIMQGLVSA-N 1 0 337.401 2.515 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604264826 479493563 /nfs/dbraw/zinc/49/35/63/479493563.db2.gz SAYOCPYMFSFDGP-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602711904 479495605 /nfs/dbraw/zinc/49/56/05/479495605.db2.gz SSJGRRGZCRMHTI-UHFFFAOYSA-N 1 0 335.360 2.900 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000611828217 479495622 /nfs/dbraw/zinc/49/56/22/479495622.db2.gz KGBREDDKPIZEHK-ZDUSSCGKSA-N 1 0 336.392 2.598 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000593884105 479496914 /nfs/dbraw/zinc/49/69/14/479496914.db2.gz QXJRNKMGBSDMKU-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO CSc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593884646 479497022 /nfs/dbraw/zinc/49/70/22/479497022.db2.gz VHCLWSVHINZERR-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000602713005 479497036 /nfs/dbraw/zinc/49/70/36/479497036.db2.gz XRWOQPAWGVVVEY-HIFRSBDPSA-N 1 0 330.388 2.843 20 5 EFBDRO COC1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571528 479497211 /nfs/dbraw/zinc/49/72/11/479497211.db2.gz BPZQGHUFAYKAIZ-GOSISDBHSA-N 1 0 333.432 2.673 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000575907893 479498605 /nfs/dbraw/zinc/49/86/05/479498605.db2.gz VQDCMEBWJWQMGN-JMPLCFMRSA-N 1 0 343.427 2.942 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000602715046 479498705 /nfs/dbraw/zinc/49/87/05/479498705.db2.gz LZHWSXGOCNOCGJ-AWEZNQCLSA-N 1 0 344.415 2.948 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000589209371 479499985 /nfs/dbraw/zinc/49/99/85/479499985.db2.gz IZAHOYFAGGILBK-OAHLLOKOSA-N 1 0 348.399 2.769 20 5 EFBDRO CCOc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575916640 479500179 /nfs/dbraw/zinc/50/01/79/479500179.db2.gz TVFIJDDVSYGZQI-OAHLLOKOSA-N 1 0 346.383 2.523 20 5 EFBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000602717588 479500170 /nfs/dbraw/zinc/50/01/70/479500170.db2.gz HMWPHJKEJBRESV-QGZVFWFLSA-N 1 0 348.447 2.753 20 5 EFBDRO CCc1ccc(C(=O)NCc2ccccc2C[NH2+]C)cc1[N+](=O)[O-] ZINC000593914435 479506998 /nfs/dbraw/zinc/50/69/98/479506998.db2.gz KXPYAAPRTXEJEV-UHFFFAOYSA-N 1 0 327.384 2.807 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915675 479507632 /nfs/dbraw/zinc/50/76/32/479507632.db2.gz JSTPQOBJKWVBDX-DOMZBBRYSA-N 1 0 337.445 2.663 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1C ZINC000593914254 479507768 /nfs/dbraw/zinc/50/77/68/479507768.db2.gz BXNHNHOGKDKHML-FZMZJTMJSA-N 1 0 335.404 2.501 20 5 EFBDRO CC(C)Oc1nc(NCc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000593931827 479512026 /nfs/dbraw/zinc/51/20/26/479512026.db2.gz MIIWJAUQEOGHDF-GFCCVEGCSA-N 1 0 330.388 2.831 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589328732 479513528 /nfs/dbraw/zinc/51/35/28/479513528.db2.gz WHEFKBHAPMZFKT-ZDUSSCGKSA-N 1 0 337.420 2.576 20 5 EFBDRO NC(=O)Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000589344785 479516239 /nfs/dbraw/zinc/51/62/39/479516239.db2.gz GONCRYYSVCYWFY-SFHVURJKSA-N 1 0 339.395 2.790 20 5 EFBDRO CC[C@]1(O)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000602740957 479521852 /nfs/dbraw/zinc/52/18/52/479521852.db2.gz SILUWPPRNBYYSS-SFHVURJKSA-N 1 0 344.415 2.732 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cnccc1C ZINC000611939341 479527597 /nfs/dbraw/zinc/52/75/97/479527597.db2.gz JFUAQRJCHIAWKH-ZDUSSCGKSA-N 1 0 328.372 2.896 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940369 479529087 /nfs/dbraw/zinc/52/90/87/479529087.db2.gz ZFCGDJJTAIHFFF-OLZOCXBDSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000602759105 479532831 /nfs/dbraw/zinc/53/28/31/479532831.db2.gz PGEVGBBGDIQIPB-UHFFFAOYSA-N 1 0 330.388 2.685 20 5 EFBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC[NH+](C)CC1 ZINC000604552342 479540309 /nfs/dbraw/zinc/54/03/09/479540309.db2.gz JISDCTVNNMSBBY-NSHDSACASA-N 1 0 330.388 2.536 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602771822 479541581 /nfs/dbraw/zinc/54/15/81/479541581.db2.gz GMBXDCVOIVHWNT-KRWDZBQOSA-N 1 0 349.479 2.688 20 5 EFBDRO COc1ccccc1[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781578 479547982 /nfs/dbraw/zinc/54/79/82/479547982.db2.gz TZPLVHOBCGWGEU-CQSZACIVSA-N 1 0 330.388 2.598 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000594020987 479552384 /nfs/dbraw/zinc/55/23/84/479552384.db2.gz OQEPNQPMXKAAOI-UHFFFAOYSA-N 1 0 331.420 2.777 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602789362 479554190 /nfs/dbraw/zinc/55/41/90/479554190.db2.gz ZMDJRUOONUCENK-RDJZCZTQSA-N 1 0 349.479 2.686 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000602791001 479555096 /nfs/dbraw/zinc/55/50/96/479555096.db2.gz BJSGSJSTDSRWLL-UHFFFAOYSA-N 1 0 348.378 2.534 20 5 EFBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602790007 479555537 /nfs/dbraw/zinc/55/55/37/479555537.db2.gz DONJSWWRIWJIOC-CYBMUJFWSA-N 1 0 335.433 2.874 20 5 EFBDRO CN1C[C@H]([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000600178219 479564636 /nfs/dbraw/zinc/56/46/36/479564636.db2.gz HTDMOUSYCRGBDW-OAHLLOKOSA-N 1 0 343.383 2.907 20 5 EFBDRO CN1C[C@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000600179244 479566205 /nfs/dbraw/zinc/56/62/05/479566205.db2.gz WWDHRCKGRGEELR-OAHLLOKOSA-N 1 0 343.383 2.907 20 5 EFBDRO CC[N@H+](CCC(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065639 479569471 /nfs/dbraw/zinc/56/94/71/479569471.db2.gz ZBBSFVRRTFLFTN-LLVKDONJSA-N 1 0 336.310 2.609 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594094443 479585818 /nfs/dbraw/zinc/58/58/18/479585818.db2.gz JYGLEVMELYPWLM-ZFWWWQNUSA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000612113923 479587588 /nfs/dbraw/zinc/58/75/88/479587588.db2.gz ZOTKLJDLUZZBJV-HUUCEWRRSA-N 1 0 334.416 2.847 20 5 EFBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000612113922 479588141 /nfs/dbraw/zinc/58/81/41/479588141.db2.gz ZOTKLJDLUZZBJV-GJZGRUSLSA-N 1 0 334.416 2.847 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000602849977 479592671 /nfs/dbraw/zinc/59/26/71/479592671.db2.gz SMXCOIUXRIGRAG-UHFFFAOYSA-N 1 0 348.353 2.980 20 5 EFBDRO O=[N+]([O-])c1cccc2c(N3CCN(c4cc[nH+]cc4)CC3)ccnc21 ZINC000590078683 479600627 /nfs/dbraw/zinc/60/06/27/479600627.db2.gz ZZYXLJSHBDCWFH-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597204676 479619642 /nfs/dbraw/zinc/61/96/42/479619642.db2.gz CTDBZZVWTBBAMD-ZBFHGGJFSA-N 1 0 331.416 2.819 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000597207183 479620599 /nfs/dbraw/zinc/62/05/99/479620599.db2.gz SQEKZLZVZHPGEV-NOPRJXFKSA-N 1 0 329.400 2.599 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(O)(CO)CC2)s1 ZINC000597208293 479620730 /nfs/dbraw/zinc/62/07/30/479620730.db2.gz ZEVWVNQRUGOORU-UHFFFAOYSA-N 1 0 348.424 2.643 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594195430 479627269 /nfs/dbraw/zinc/62/72/69/479627269.db2.gz GYDAQJXKKPFOHM-XKQJLSEDSA-N 1 0 331.416 2.831 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597220730 479627420 /nfs/dbraw/zinc/62/74/20/479627420.db2.gz GLPKRSVNUFEUNP-HNKHHVNMSA-N 1 0 332.400 2.847 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197190 479627914 /nfs/dbraw/zinc/62/79/14/479627914.db2.gz AVOBTWQILAGKSR-JKSUJKDBSA-N 1 0 349.456 2.820 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000594197497 479628113 /nfs/dbraw/zinc/62/81/13/479628113.db2.gz OUGYQDIVJYQSLA-CABCVRRESA-N 1 0 347.415 2.659 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199397 479629189 /nfs/dbraw/zinc/62/91/89/479629189.db2.gz YIOPHDNJWYONBB-KGLIPLIRSA-N 1 0 347.415 2.740 20 5 EFBDRO CCNc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594200263 479629678 /nfs/dbraw/zinc/62/96/78/479629678.db2.gz KHQRSRYOEQBXGE-HZPDHXFCSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202773 479631321 /nfs/dbraw/zinc/63/13/21/479631321.db2.gz RQLOXRDWDJBXAQ-CABCVRRESA-N 1 0 337.807 2.995 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597243304 479640321 /nfs/dbraw/zinc/64/03/21/479640321.db2.gz GLPKRSVNUFEUNP-QCEMKRCNSA-N 1 0 332.400 2.847 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000612347189 479650137 /nfs/dbraw/zinc/65/01/37/479650137.db2.gz VBPGBHZNLBYYKB-UHFFFAOYSA-N 1 0 343.387 2.887 20 5 EFBDRO CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]([NH3+])c1ccccc1 ZINC000579108490 479661327 /nfs/dbraw/zinc/66/13/27/479661327.db2.gz SJDBTSJRWSSPCY-MRXNPFEDSA-N 1 0 327.384 2.937 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]([NH+]4CCCCC4)C3)c21 ZINC000612444419 479673576 /nfs/dbraw/zinc/67/35/76/479673576.db2.gz RQHUOOJVFOJNOU-ZDUSSCGKSA-N 1 0 327.388 2.603 20 5 EFBDRO CN1CC[NH+](CC2(C)CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000612455693 479676184 /nfs/dbraw/zinc/67/61/84/479676184.db2.gz ACICRFLIJQTFCA-UHFFFAOYSA-N 1 0 338.477 2.510 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000612461818 479677332 /nfs/dbraw/zinc/67/73/32/479677332.db2.gz WYDHBSRQAOEXTH-SNVBAGLBSA-N 1 0 335.360 2.938 20 5 EFBDRO C[C@@H](CC1CCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576139 479697750 /nfs/dbraw/zinc/69/77/50/479697750.db2.gz LXTKAQBLFDUDCP-LBPRGKRZSA-N 1 0 326.418 2.537 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000612846864 479780138 /nfs/dbraw/zinc/78/01/38/479780138.db2.gz JXJICXPQUBSYAX-GFCCVEGCSA-N 1 0 330.388 2.679 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000619525294 479818584 /nfs/dbraw/zinc/81/85/84/479818584.db2.gz DUJJKIYIEZWZCJ-UHFFFAOYSA-N 1 0 348.447 2.852 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000619558368 479828114 /nfs/dbraw/zinc/82/81/14/479828114.db2.gz LCDZWZKSKJYEEH-MAUKXSAKSA-N 1 0 328.368 2.612 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC12CCC[NH+]1CCC2 ZINC000619574176 479832605 /nfs/dbraw/zinc/83/26/05/479832605.db2.gz XRZWIXCWDOZBQH-UHFFFAOYSA-N 1 0 337.807 2.535 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000619639006 479846028 /nfs/dbraw/zinc/84/60/28/479846028.db2.gz WIRLASSVSMZCCE-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO C[C@@](CO)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609537126 480171507 /nfs/dbraw/zinc/17/15/07/480171507.db2.gz JDNPVYSOQMZZAF-SFHVURJKSA-N 1 0 330.384 2.861 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609557039 480176026 /nfs/dbraw/zinc/17/60/26/480176026.db2.gz MTXOYWIYYFPWTC-DZGCQCFKSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000609583618 480181118 /nfs/dbraw/zinc/18/11/18/480181118.db2.gz SKRIMKWRMWAINB-NSHDSACASA-N 1 0 330.388 2.536 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000609583658 480181264 /nfs/dbraw/zinc/18/12/64/480181264.db2.gz UPXFKCXBXJGZHZ-LLVKDONJSA-N 1 0 331.372 2.801 20 5 EFBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000609583659 480181369 /nfs/dbraw/zinc/18/13/69/480181369.db2.gz UPXFKCXBXJGZHZ-NSHDSACASA-N 1 0 331.372 2.801 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609610115 480185719 /nfs/dbraw/zinc/18/57/19/480185719.db2.gz LDMMVANBLZSCCS-CABCVRRESA-N 1 0 348.447 2.660 20 5 EFBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCOC1 ZINC000609631729 480191403 /nfs/dbraw/zinc/19/14/03/480191403.db2.gz RTBGDFGOVQKASK-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCOC1 ZINC000609631642 480192383 /nfs/dbraw/zinc/19/23/83/480192383.db2.gz JDSWHXHCFZTVDG-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000609739461 480200217 /nfs/dbraw/zinc/20/02/17/480200217.db2.gz ODUBXBQDBAYXQN-OAHLLOKOSA-N 1 0 326.400 2.916 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCSc3ccccc3)CC2)cn1 ZINC000609796776 480207734 /nfs/dbraw/zinc/20/77/34/480207734.db2.gz RCRQWPPJIYTWMO-UHFFFAOYSA-N 1 0 344.440 2.904 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609833656 480210835 /nfs/dbraw/zinc/21/08/35/480210835.db2.gz RMHGYFIHDXRXMJ-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609851248 480213509 /nfs/dbraw/zinc/21/35/09/480213509.db2.gz YXJJEERHMQDALJ-AWEZNQCLSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609877263 480215311 /nfs/dbraw/zinc/21/53/11/480215311.db2.gz LBRQCPNTGKBLRD-CYBMUJFWSA-N 1 0 339.823 2.781 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609877097 480215761 /nfs/dbraw/zinc/21/57/61/480215761.db2.gz JQSMOBPEZJIPNE-ZDUSSCGKSA-N 1 0 331.372 2.945 20 5 EFBDRO CC(C)(C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059945 480233508 /nfs/dbraw/zinc/23/35/08/480233508.db2.gz IOMJEHUSNXEYOD-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC[NH+](C)C ZINC000610112004 480239352 /nfs/dbraw/zinc/23/93/52/480239352.db2.gz QANHATWRBDQVRT-CYBMUJFWSA-N 1 0 339.461 2.876 20 5 EFBDRO CNc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610244032 480257546 /nfs/dbraw/zinc/25/75/46/480257546.db2.gz VFBWNSYYTLEQTP-AWEZNQCLSA-N 1 0 346.431 2.585 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000610281307 480270625 /nfs/dbraw/zinc/27/06/25/480270625.db2.gz HTKSTDQPXAFBTP-DGCLKSJQSA-N 1 0 335.433 2.885 20 5 EFBDRO O=[N+]([O-])c1sccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000610411311 480300603 /nfs/dbraw/zinc/30/06/03/480300603.db2.gz KZESPBSSUFYEMG-UHFFFAOYSA-N 1 0 325.434 2.738 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610485022 480317640 /nfs/dbraw/zinc/31/76/40/480317640.db2.gz WUNRCDUAXYYODD-FUHWJXTLSA-N 1 0 344.415 2.891 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610485024 480319527 /nfs/dbraw/zinc/31/95/27/480319527.db2.gz WUNRCDUAXYYODD-WMZOPIPTSA-N 1 0 344.415 2.891 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610517469 480327702 /nfs/dbraw/zinc/32/77/02/480327702.db2.gz GCRKJCOBKMZEAU-KRWDZBQOSA-N 1 0 327.384 2.864 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610517471 480327820 /nfs/dbraw/zinc/32/78/20/480327820.db2.gz GCRKJCOBKMZEAU-QGZVFWFLSA-N 1 0 327.384 2.864 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000610717237 480373353 /nfs/dbraw/zinc/37/33/53/480373353.db2.gz CVZIHAOVZARIJS-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610719285 480374113 /nfs/dbraw/zinc/37/41/13/480374113.db2.gz PKTOBLVMZZUZFV-HIFRSBDPSA-N 1 0 334.420 2.829 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1O ZINC000618197854 480566005 /nfs/dbraw/zinc/56/60/05/480566005.db2.gz JYBOYCJLTWCHAF-CQSZACIVSA-N 1 0 344.367 2.662 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1O ZINC000618197853 480566281 /nfs/dbraw/zinc/56/62/81/480566281.db2.gz JYBOYCJLTWCHAF-AWEZNQCLSA-N 1 0 344.367 2.662 20 5 EFBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000639026807 480931251 /nfs/dbraw/zinc/93/12/51/480931251.db2.gz MSDZDTYEJUEMTF-SHTZXODSSA-N 1 0 349.434 2.541 20 5 EFBDRO [NH3+]C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 ZINC000662653684 481917578 /nfs/dbraw/zinc/91/75/78/481917578.db2.gz MHSNONMSPTWHSO-UHFFFAOYSA-N 1 0 349.434 2.542 20 5 EFBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000129653573 533782560 /nfs/dbraw/zinc/78/25/60/533782560.db2.gz JNUFYGOAOPVGNP-UHFFFAOYSA-N 1 0 338.404 2.861 20 5 EFBDRO Cc1c(CC(=O)NCc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000178556052 533833548 /nfs/dbraw/zinc/83/35/48/533833548.db2.gz UWLMCYXITORCHM-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO Cc1c(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000159770387 533830526 /nfs/dbraw/zinc/83/05/26/533830526.db2.gz SKHLGVAVLXNUGL-CQSZACIVSA-N 1 0 333.432 2.826 20 5 EFBDRO Cc1c(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161777672 533831098 /nfs/dbraw/zinc/83/10/98/533831098.db2.gz IAYFJWAJNDTFMS-GJZGRUSLSA-N 1 0 347.459 2.930 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159303462 533832922 /nfs/dbraw/zinc/83/29/22/533832922.db2.gz KDSFCCLVWZVGEP-GOSISDBHSA-N 1 0 341.411 2.865 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000181520199 533914355 /nfs/dbraw/zinc/91/43/55/533914355.db2.gz IBHOGRJEPLPEIC-OLZOCXBDSA-N 1 0 327.384 2.976 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000174523698 534049081 /nfs/dbraw/zinc/04/90/81/534049081.db2.gz WYMYSVBQGUCKBK-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000353341969 517579380 /nfs/dbraw/zinc/57/93/80/517579380.db2.gz ZFZTUGYAOZXONT-NSHDSACASA-N 1 0 326.372 2.976 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000159836575 534320519 /nfs/dbraw/zinc/32/05/19/534320519.db2.gz YTMVXHDVLDMDBM-HNNXBMFYSA-N 1 0 331.372 2.967 20 5 EFBDRO CC(C)(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000430707073 534352715 /nfs/dbraw/zinc/35/27/15/534352715.db2.gz OXUGQPKEBXUNQM-OAHLLOKOSA-N 1 0 333.432 2.767 20 5 EFBDRO O=C(NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000178488484 534357833 /nfs/dbraw/zinc/35/78/33/534357833.db2.gz OIEYAWIRAZMCKW-OAHLLOKOSA-N 1 0 343.383 2.529 20 5 EFBDRO CC(C)(C[NH3+])NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000151923214 519232941 /nfs/dbraw/zinc/23/29/41/519232941.db2.gz VYUJDCKLJHYZLB-UHFFFAOYSA-N 1 0 342.399 2.674 20 5 EFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000154996610 534425940 /nfs/dbraw/zinc/42/59/40/534425940.db2.gz HXEKMVDGFTURLX-CYBMUJFWSA-N 1 0 329.356 2.552 20 5 EFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156337235 519612936 /nfs/dbraw/zinc/61/29/36/519612936.db2.gz DNJSBVAYQZOVIC-LBPRGKRZSA-N 1 0 325.796 2.548 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151067027 519675916 /nfs/dbraw/zinc/67/59/16/519675916.db2.gz NFVWXKZSKJGJSE-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000231072040 519793009 /nfs/dbraw/zinc/79/30/09/519793009.db2.gz QJWRPRUGLMUVAK-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155039073 534450508 /nfs/dbraw/zinc/45/05/08/534450508.db2.gz SPLSXGKIBNPZPM-ZDUSSCGKSA-N 1 0 329.356 2.552 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120884657 519846490 /nfs/dbraw/zinc/84/64/90/519846490.db2.gz CKOVPUFKCWLOEZ-UHFFFAOYSA-N 1 0 342.399 2.747 20 5 EFBDRO Cc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000178020394 534486790 /nfs/dbraw/zinc/48/67/90/534486790.db2.gz AFPILUHPONUDSM-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CCN(CC)C(=O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000181423615 520475175 /nfs/dbraw/zinc/47/51/75/520475175.db2.gz IDPDPRAEKSYSEJ-UHFFFAOYSA-N 1 0 330.388 2.756 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000245507641 521261046 /nfs/dbraw/zinc/26/10/46/521261046.db2.gz QMKXIYZITLRQQT-RWSFTLGLSA-N 1 0 328.434 2.757 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000245767793 521708797 /nfs/dbraw/zinc/70/87/97/521708797.db2.gz KONJBAWGRJFSEN-ZFWWWQNUSA-N 1 0 336.436 2.847 20 5 EFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072837676 521726995 /nfs/dbraw/zinc/72/69/95/521726995.db2.gz JPOGONFEMULYRM-ZIAGYGMSSA-N 1 0 337.445 2.800 20 5 EFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072837670 521728100 /nfs/dbraw/zinc/72/81/00/521728100.db2.gz JPOGONFEMULYRM-UONOGXRCSA-N 1 0 337.445 2.800 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000189120373 522114815 /nfs/dbraw/zinc/11/48/15/522114815.db2.gz PNMDPHQWBATKJA-CYBMUJFWSA-N 1 0 349.431 2.764 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245784946 522394658 /nfs/dbraw/zinc/39/46/58/522394658.db2.gz VACRZISFYRXOIP-WFASDCNBSA-N 1 0 336.388 2.613 20 5 EFBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412042419 534632299 /nfs/dbraw/zinc/63/22/99/534632299.db2.gz VGJXRJYUXOYSGO-ZFWWWQNUSA-N 1 0 338.452 2.689 20 5 EFBDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266433354 534642041 /nfs/dbraw/zinc/64/20/41/534642041.db2.gz LFIZEJYOIVJGLM-SJORKVTESA-N 1 0 346.431 2.919 20 5 EFBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120594959 522682421 /nfs/dbraw/zinc/68/24/21/522682421.db2.gz BVPVFPZJBOCCAC-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000176692595 522714212 /nfs/dbraw/zinc/71/42/12/522714212.db2.gz ATKCSZCOMDKLNM-IAGOWNOFSA-N 1 0 346.431 2.926 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120103692 522846963 /nfs/dbraw/zinc/84/69/63/522846963.db2.gz GYQYPNKESREYME-MSOLQXFVSA-N 1 0 335.448 2.992 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000120218803 522873712 /nfs/dbraw/zinc/87/37/12/522873712.db2.gz XPVQGYWCRMNICM-MRXNPFEDSA-N 1 0 343.383 2.943 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154768025 523023530 /nfs/dbraw/zinc/02/35/30/523023530.db2.gz GVSCYKWRPRNYKM-AWEZNQCLSA-N 1 0 337.395 2.657 20 5 EFBDRO COCc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000179237224 523041674 /nfs/dbraw/zinc/04/16/74/523041674.db2.gz GTMLUBOXIMVBLA-INIZCTEOSA-N 1 0 342.399 2.823 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119407737 523172152 /nfs/dbraw/zinc/17/21/52/523172152.db2.gz SBFOOWGZTDGKMO-MRXNPFEDSA-N 1 0 348.447 2.701 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153873301 534709869 /nfs/dbraw/zinc/70/98/69/534709869.db2.gz VQZISGSGZNRMBD-BLLLJJGKSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153608483 534720863 /nfs/dbraw/zinc/72/08/63/534720863.db2.gz ZXHJRPTUGRGQQW-YPMHNXCESA-N 1 0 335.429 2.745 20 5 EFBDRO COc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068937423 523689179 /nfs/dbraw/zinc/68/91/79/523689179.db2.gz WMAAQBCSESGVAW-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155160632 523887387 /nfs/dbraw/zinc/88/73/87/523887387.db2.gz ZDCBOLPCVFKYKE-JKSUJKDBSA-N 1 0 331.416 2.714 20 5 EFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178650717 524052155 /nfs/dbraw/zinc/05/21/55/524052155.db2.gz SLZSIZHXDGTGNY-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000153353425 524184807 /nfs/dbraw/zinc/18/48/07/524184807.db2.gz SYUVZZXFVNNRNE-YOEHRIQHSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000177316174 524387293 /nfs/dbraw/zinc/38/72/93/524387293.db2.gz MPQZWUVVCKULOT-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000237589180 524548764 /nfs/dbraw/zinc/54/87/64/524548764.db2.gz ANJZLDGKTZWMJI-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H]([NH3+])C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157888971 524826047 /nfs/dbraw/zinc/82/60/47/524826047.db2.gz KPTDUNHFJXRVQK-JTQLQIEISA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189445864 524935326 /nfs/dbraw/zinc/93/53/26/524935326.db2.gz QHFGWYYSMDWMPS-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119717545 525011600 /nfs/dbraw/zinc/01/16/00/525011600.db2.gz YTURNJMEDXITEW-KDOFPFPSSA-N 1 0 339.395 2.845 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237589213 525107343 /nfs/dbraw/zinc/10/73/43/525107343.db2.gz ANJZLDGKTZWMJI-WDEREUQCSA-N 1 0 346.412 2.541 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(F)(F)F ZINC000064634982 525465297 /nfs/dbraw/zinc/46/52/97/525465297.db2.gz JLYLLJXNEVUSDY-UHFFFAOYSA-N 1 0 349.309 2.816 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193336756 534864650 /nfs/dbraw/zinc/86/46/50/534864650.db2.gz KNIKJHQLJSUJAW-GASCZTMLSA-N 1 0 347.415 2.894 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155459966 525567020 /nfs/dbraw/zinc/56/70/20/525567020.db2.gz JWELHYPMEHZYOR-RHSMWYFYSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](OCCO)C3)o2)cc1 ZINC000179573294 534881200 /nfs/dbraw/zinc/88/12/00/534881200.db2.gz CLFSJRWXJIZAHZ-MRXNPFEDSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C1CC1 ZINC000183865308 534887511 /nfs/dbraw/zinc/88/75/11/534887511.db2.gz NNQIWYQCRSAPGN-OAHLLOKOSA-N 1 0 341.415 2.634 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000245497997 525851438 /nfs/dbraw/zinc/85/14/38/525851438.db2.gz VEVJFDITGJVZDK-ZIAGYGMSSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608768 525855690 /nfs/dbraw/zinc/85/56/90/525855690.db2.gz OIELXAWLXOISLZ-STQMWFEESA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000120682816 526059965 /nfs/dbraw/zinc/05/99/65/526059965.db2.gz VHZVLKVRNQJEFU-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000120885437 526080469 /nfs/dbraw/zinc/08/04/69/526080469.db2.gz NUQJJRVSENFZDI-RISCZKNCSA-N 1 0 337.445 2.729 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000188171097 526088772 /nfs/dbraw/zinc/08/87/72/526088772.db2.gz YHCRKIWAKNBPPB-CYBMUJFWSA-N 1 0 349.456 2.875 20 5 EFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193813493 526538581 /nfs/dbraw/zinc/53/85/81/526538581.db2.gz XOCOOENTTYFUSK-INIZCTEOSA-N 1 0 339.395 2.847 20 5 EFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000178766023 526596248 /nfs/dbraw/zinc/59/62/48/526596248.db2.gz XCTKZCLYIYGEGV-OAHLLOKOSA-N 1 0 340.383 2.820 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261622461 526607186 /nfs/dbraw/zinc/60/71/86/526607186.db2.gz CIKITFHAOISLNY-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190025548 526983186 /nfs/dbraw/zinc/98/31/86/526983186.db2.gz WWRRDICVTAUFSD-INIZCTEOSA-N 1 0 338.452 2.881 20 5 EFBDRO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000155298073 527177577 /nfs/dbraw/zinc/17/75/77/527177577.db2.gz NKMWXQFNQAJQQH-KRWDZBQOSA-N 1 0 347.459 2.616 20 5 EFBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCC1 ZINC000155069845 527292782 /nfs/dbraw/zinc/29/27/82/527292782.db2.gz MWONNAZWVNJJQL-UHFFFAOYSA-N 1 0 333.432 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000083405916 527347635 /nfs/dbraw/zinc/34/76/35/527347635.db2.gz KOUNGMGOZVVYDH-SFHVURJKSA-N 1 0 334.416 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000193806412 527349839 /nfs/dbraw/zinc/34/98/39/527349839.db2.gz PRSBPBQOUJYIIO-HNNXBMFYSA-N 1 0 334.376 2.563 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152764544 527383544 /nfs/dbraw/zinc/38/35/44/527383544.db2.gz MWQAYZGNDYWNML-HIFRSBDPSA-N 1 0 344.371 2.646 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000156383967 527390758 /nfs/dbraw/zinc/39/07/58/527390758.db2.gz BOBWZZYDBBNTJI-QGZVFWFLSA-N 1 0 329.356 2.522 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000157639592 527413992 /nfs/dbraw/zinc/41/39/92/527413992.db2.gz DWAYQLMBFMNEJA-ZDUSSCGKSA-N 1 0 341.371 2.812 20 5 EFBDRO CC(C)[NH2+]C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000171692817 527733482 /nfs/dbraw/zinc/73/34/82/527733482.db2.gz YDVZNVURWPQFCM-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000132489675 527786045 /nfs/dbraw/zinc/78/60/45/527786045.db2.gz HLBAVPIZZJGHJY-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000174517372 527806403 /nfs/dbraw/zinc/80/64/03/527806403.db2.gz YYUPXXFYPFHHMP-HNNXBMFYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000174474385 527815633 /nfs/dbraw/zinc/81/56/33/527815633.db2.gz BOAJXRZIAWJAAL-ZDUSSCGKSA-N 1 0 346.431 2.583 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000174344188 527846924 /nfs/dbraw/zinc/84/69/24/527846924.db2.gz CMWNKEHLQAGRIW-CQSZACIVSA-N 1 0 333.432 2.961 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000174967471 527849317 /nfs/dbraw/zinc/84/93/17/527849317.db2.gz QDRWWUNCBHUJER-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000188003128 527877552 /nfs/dbraw/zinc/87/75/52/527877552.db2.gz YAASYDUJKLRPMA-WBHUJUFNSA-N 1 0 349.431 2.613 20 5 EFBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179515124 527937390 /nfs/dbraw/zinc/93/73/90/527937390.db2.gz XEETWFNTPBHGGP-UHFFFAOYSA-N 1 0 331.372 2.798 20 5 EFBDRO CC(C)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000181555202 527940501 /nfs/dbraw/zinc/94/05/01/527940501.db2.gz CKTVPEZTQCYZMB-UHFFFAOYSA-N 1 0 328.434 2.735 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000163673835 527975114 /nfs/dbraw/zinc/97/51/14/527975114.db2.gz VOTUXBQWBPJNJX-ZDUSSCGKSA-N 1 0 337.395 2.832 20 5 EFBDRO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245389 528058335 /nfs/dbraw/zinc/05/83/35/528058335.db2.gz DLQLHHCFANCELE-AWEZNQCLSA-N 1 0 349.431 2.695 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000188360527 528192572 /nfs/dbraw/zinc/19/25/72/528192572.db2.gz VDIMMWDZZONZSC-UHFFFAOYSA-N 1 0 345.403 2.731 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136705555 528284467 /nfs/dbraw/zinc/28/44/67/528284467.db2.gz LAYMZKXNABIVNA-HNNXBMFYSA-N 1 0 344.415 2.561 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000189863663 528438869 /nfs/dbraw/zinc/43/88/69/528438869.db2.gz BLSDENNRABPRPD-CQSZACIVSA-N 1 0 336.436 2.947 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154457005 528652023 /nfs/dbraw/zinc/65/20/23/528652023.db2.gz AKWBSYUTDPLMJD-UHFFFAOYSA-N 1 0 343.811 2.651 20 5 EFBDRO CC1(C)CC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000159344979 528887480 /nfs/dbraw/zinc/88/74/80/528887480.db2.gz DZSWSEFIGSPXHC-UHFFFAOYSA-N 1 0 348.447 2.746 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171853262 529009899 /nfs/dbraw/zinc/00/98/99/529009899.db2.gz LEIIVPFBIMYVTD-HNNXBMFYSA-N 1 0 334.420 2.611 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171649858 529012964 /nfs/dbraw/zinc/01/29/64/529012964.db2.gz GQEORSBJEWHUPA-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000186854980 529161093 /nfs/dbraw/zinc/16/10/93/529161093.db2.gz VVECQFDKGLIYPM-OAHLLOKOSA-N 1 0 328.434 2.850 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000131466857 529248212 /nfs/dbraw/zinc/24/82/12/529248212.db2.gz REKGSRGRNPMHSE-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000412196119 534942538 /nfs/dbraw/zinc/94/25/38/534942538.db2.gz BGQRAWRUIGOTGX-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000412285190 534944155 /nfs/dbraw/zinc/94/41/55/534944155.db2.gz KNUGYRLHCJQQFG-INIZCTEOSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412181947 534950293 /nfs/dbraw/zinc/95/02/93/534950293.db2.gz YVZBPKIVXHLXJG-TZMCWYRMSA-N 1 0 347.415 2.737 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421346291 534977670 /nfs/dbraw/zinc/97/76/70/534977670.db2.gz CKIYMFCVYOWFNJ-FCONWMNKSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(C)N(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348922647 535026819 /nfs/dbraw/zinc/02/68/19/535026819.db2.gz RJCKBSCDQOBMPL-UHFFFAOYSA-N 1 0 343.431 2.800 20 5 EFBDRO CC(C)(C)[C@@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193106185 535046776 /nfs/dbraw/zinc/04/67/76/535046776.db2.gz XEPAPWHIAAZJPY-OAHLLOKOSA-N 1 0 333.388 2.789 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000355858070 535057428 /nfs/dbraw/zinc/05/74/28/535057428.db2.gz HMTNYSZKNRIWBU-UHFFFAOYSA-N 1 0 337.420 2.551 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359218127 535093853 /nfs/dbraw/zinc/09/38/53/535093853.db2.gz CPTHMIABSUXYHV-HNNXBMFYSA-N 1 0 346.431 2.752 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418796876 535227332 /nfs/dbraw/zinc/22/73/32/535227332.db2.gz RPCHTDPHVNCMGL-VNHYZAJKSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418432177 535275946 /nfs/dbraw/zinc/27/59/46/535275946.db2.gz YSAIUUQUHSWPAC-AWEZNQCLSA-N 1 0 334.420 2.642 20 5 EFBDRO CCCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000341649178 535281504 /nfs/dbraw/zinc/28/15/04/535281504.db2.gz XKILIBRCGODJIY-CYBMUJFWSA-N 1 0 348.403 2.940 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236601084 535307717 /nfs/dbraw/zinc/30/77/17/535307717.db2.gz LQDBQTKIWZEXQQ-MRXNPFEDSA-N 1 0 348.428 2.822 20 5 EFBDRO CC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000342657198 535469394 /nfs/dbraw/zinc/46/93/94/535469394.db2.gz FGBLZPNIKPHUID-UHFFFAOYSA-N 1 0 340.811 2.532 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1cc(C)c([N+](=O)[O-])cc1F ZINC000360069436 535526498 /nfs/dbraw/zinc/52/64/98/535526498.db2.gz DQBYUMQMNFKSAJ-UHFFFAOYSA-N 1 0 327.400 2.837 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000350736423 535590463 /nfs/dbraw/zinc/59/04/63/535590463.db2.gz KEPRJRVNTKKMDK-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246976118 535601379 /nfs/dbraw/zinc/60/13/79/535601379.db2.gz JMDAEEVBHMSQBN-HIFRSBDPSA-N 1 0 334.420 2.748 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000427206089 535735828 /nfs/dbraw/zinc/73/58/28/535735828.db2.gz QFFGXDMMEPYPKD-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266120823 535763167 /nfs/dbraw/zinc/76/31/67/535763167.db2.gz IVAMMWWHWFLUMD-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266498382 535804956 /nfs/dbraw/zinc/80/49/56/535804956.db2.gz WSLIHAAACWMNNJ-LSDHHAIUSA-N 1 0 338.795 2.547 20 5 EFBDRO Cn1c(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000355600800 535992803 /nfs/dbraw/zinc/99/28/03/535992803.db2.gz XLCHWDSFTAMULG-UHFFFAOYSA-N 1 0 327.344 2.712 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000264996295 535997035 /nfs/dbraw/zinc/99/70/35/535997035.db2.gz DCQHDOVDICPGSA-IRXDYDNUSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265051186 535998187 /nfs/dbraw/zinc/99/81/87/535998187.db2.gz PZUUVFLUVUGIOT-IRXDYDNUSA-N 1 0 349.431 2.857 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000351835536 536015624 /nfs/dbraw/zinc/01/56/24/536015624.db2.gz TYFJHNJLPRZRNP-UHFFFAOYSA-N 1 0 343.339 2.637 20 5 EFBDRO C[NH+](C)Cc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000362960003 536044490 /nfs/dbraw/zinc/04/44/90/536044490.db2.gz HZPUVDGGEKDLLO-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355729773 536049366 /nfs/dbraw/zinc/04/93/66/536049366.db2.gz GFHVLVDJCSIKMC-KRWDZBQOSA-N 1 0 336.388 2.769 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342791003 536181957 /nfs/dbraw/zinc/18/19/57/536181957.db2.gz RWYGXRUGRPPYDV-LBPRGKRZSA-N 1 0 347.444 2.768 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000352115449 536336485 /nfs/dbraw/zinc/33/64/85/536336485.db2.gz LHUKWGXRCZYKEW-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000344639545 536351029 /nfs/dbraw/zinc/35/10/29/536351029.db2.gz GSDWCKQRNZQQLW-MRXNPFEDSA-N 1 0 333.432 2.764 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000356269717 536394004 /nfs/dbraw/zinc/39/40/04/536394004.db2.gz AJHZJLMUZLZLIU-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000343619528 536480588 /nfs/dbraw/zinc/48/05/88/536480588.db2.gz DCJNGSZVYCWVNA-UHFFFAOYSA-N 1 0 332.791 2.964 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000351196347 536564677 /nfs/dbraw/zinc/56/46/77/536564677.db2.gz BKKWFTIDXQRPDO-XHDPSFHLSA-N 1 0 338.795 2.811 20 5 EFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337419584 536572613 /nfs/dbraw/zinc/57/26/13/536572613.db2.gz ARQGJYLAWGLKJQ-BONVTDFDSA-N 1 0 326.780 2.879 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948613 536833883 /nfs/dbraw/zinc/83/38/83/536833883.db2.gz NQMSSOYTEBLULZ-PIGZYNQJSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000411936505 536834815 /nfs/dbraw/zinc/83/48/15/536834815.db2.gz CHUXLYDCVGGLFB-PIGZYNQJSA-N 1 0 336.388 2.755 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC000347553728 536849858 /nfs/dbraw/zinc/84/98/58/536849858.db2.gz IFBRQOWIERZRAI-LBPRGKRZSA-N 1 0 347.371 2.737 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411947746 536850827 /nfs/dbraw/zinc/85/08/27/536850827.db2.gz MQPAFPIHPORMPB-YVEFUNNKSA-N 1 0 338.404 2.775 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414659103 536896077 /nfs/dbraw/zinc/89/60/77/536896077.db2.gz RTXKWKASNNKGBS-GFCCVEGCSA-N 1 0 331.372 2.657 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000355862237 536948759 /nfs/dbraw/zinc/94/87/59/536948759.db2.gz OFYOATNVXAEBTL-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccncc3)CC2)cc1 ZINC000753915030 575359222 /nfs/dbraw/zinc/35/92/22/575359222.db2.gz GWTSFZRVDHOYJD-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)S1 ZINC000753917421 575359229 /nfs/dbraw/zinc/35/92/29/575359229.db2.gz PNHFGFQORDQNFY-GHMZBOCLSA-N 1 0 341.408 2.888 20 5 EFBDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753940636 575363894 /nfs/dbraw/zinc/36/38/94/575363894.db2.gz UUMKYWJPJVLLFY-GDBMZVCRSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000754250520 575410711 /nfs/dbraw/zinc/41/07/11/575410711.db2.gz JBXPGHSXVIPXKU-ZBEGNZNMSA-N 1 0 331.328 2.887 20 5 EFBDRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397879 575431914 /nfs/dbraw/zinc/43/19/14/575431914.db2.gz XTNZWJUPWNNVRF-BXUZGUMPSA-N 1 0 349.412 2.697 20 5 EFBDRO COC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000754539791 575449084 /nfs/dbraw/zinc/44/90/84/575449084.db2.gz MINJHYUFSDTZKN-OAHLLOKOSA-N 1 0 336.388 2.813 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000754568707 575453971 /nfs/dbraw/zinc/45/39/71/575453971.db2.gz ODHPGRCGXUJHQR-QWRGUYRKSA-N 1 0 341.795 2.591 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000754873034 575507768 /nfs/dbraw/zinc/50/77/68/575507768.db2.gz ROPOQPGTLCIGTG-UHFFFAOYSA-N 1 0 332.335 2.630 20 5 EFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000755170383 575555518 /nfs/dbraw/zinc/55/55/18/575555518.db2.gz QIIMIZPEBWOFSY-FEUHOPSXSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000756950058 575804331 /nfs/dbraw/zinc/80/43/31/575804331.db2.gz ASWNUONJCRJWID-CMPLNLGQSA-N 1 0 340.811 2.530 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000757661434 575848377 /nfs/dbraw/zinc/84/83/77/575848377.db2.gz MAXXZUBBDDUMJG-HNNXBMFYSA-N 1 0 342.399 2.993 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000758460409 575870199 /nfs/dbraw/zinc/87/01/99/575870199.db2.gz IRSVPCLBDZNHLD-UHFFFAOYSA-N 1 0 337.395 2.989 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758502383 575871039 /nfs/dbraw/zinc/87/10/39/575871039.db2.gz CCUINLXOJOMZQO-ZDUSSCGKSA-N 1 0 337.395 2.846 20 5 EFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000758582078 575873283 /nfs/dbraw/zinc/87/32/83/575873283.db2.gz KTKRBJSNQTVBIQ-ZDUSSCGKSA-N 1 0 344.415 2.609 20 5 EFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000758582076 575873322 /nfs/dbraw/zinc/87/33/22/575873322.db2.gz KTKRBJSNQTVBIQ-CYBMUJFWSA-N 1 0 344.415 2.609 20 5 EFBDRO COC(C)(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815710 575877845 /nfs/dbraw/zinc/87/78/45/575877845.db2.gz LOKFRYHGYHMSKC-SNVBAGLBSA-N 1 0 343.811 2.932 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)(C)C[NH+](C)C ZINC000759238178 575887498 /nfs/dbraw/zinc/88/74/98/575887498.db2.gz TZJCTKSEMZQXDU-GFCCVEGCSA-N 1 0 348.447 2.875 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289958 576141059 /nfs/dbraw/zinc/14/10/59/576141059.db2.gz DMUXQFYHEPOLPW-INIZCTEOSA-N 1 0 343.431 2.771 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289961 576141147 /nfs/dbraw/zinc/14/11/47/576141147.db2.gz DMUXQFYHEPOLPW-MRXNPFEDSA-N 1 0 343.431 2.771 20 5 EFBDRO C[NH+](C)CCOC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761512396 576173211 /nfs/dbraw/zinc/17/32/11/576173211.db2.gz SKXLZONDUBYJHF-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761525438 576174472 /nfs/dbraw/zinc/17/44/72/576174472.db2.gz JZZPKGXIFCFKDW-VXGBXAGGSA-N 1 0 346.836 2.694 20 5 EFBDRO CN(C)[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000761527218 576174760 /nfs/dbraw/zinc/17/47/60/576174760.db2.gz QGRDKQXPIOLYJJ-AWEZNQCLSA-N 1 0 329.853 2.775 20 5 EFBDRO O=C1N(C[N@@H+]2CC[C@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000763333327 576373184 /nfs/dbraw/zinc/37/31/84/576373184.db2.gz RWFQTODIIMCRES-AWEZNQCLSA-N 1 0 330.388 2.526 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763626080 576383096 /nfs/dbraw/zinc/38/30/96/576383096.db2.gz LDGLNFTWBMSMOA-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO C[C@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658135 576384962 /nfs/dbraw/zinc/38/49/62/576384962.db2.gz CJUUWYJCYLNTJL-ZDUSSCGKSA-N 1 0 341.839 2.839 20 5 EFBDRO [NH2+]=C(NOCc1c(F)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000764578690 576474522 /nfs/dbraw/zinc/47/45/22/576474522.db2.gz PPRNIWUVBRFJDT-HNNXBMFYSA-N 1 0 347.302 2.572 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000764954114 576528202 /nfs/dbraw/zinc/52/82/02/576528202.db2.gz BRBJFUIHZSBBIF-CYBMUJFWSA-N 1 0 338.371 2.730 20 5 EFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cccc1[N+](=O)[O-] ZINC000764959010 576528963 /nfs/dbraw/zinc/52/89/63/576528963.db2.gz YWGPKPRYHYGAHD-ZDUSSCGKSA-N 1 0 338.371 2.730 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765798718 577078129 /nfs/dbraw/zinc/07/81/29/577078129.db2.gz BWSKBGLAIRSHSM-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000766141532 577113796 /nfs/dbraw/zinc/11/37/96/577113796.db2.gz MYBJZZHSKQKRRU-IAQYHMDHSA-N 1 0 347.371 2.537 20 5 EFBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C ZINC000766165427 577115432 /nfs/dbraw/zinc/11/54/32/577115432.db2.gz IXDOQWIBRLKNPQ-HOCLYGCPSA-N 1 0 332.448 2.636 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766557574 577166603 /nfs/dbraw/zinc/16/66/03/577166603.db2.gz VUDIGJROYNGECH-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000766599255 577170013 /nfs/dbraw/zinc/17/00/13/577170013.db2.gz AZXSDCITNNHRFD-UHFFFAOYSA-N 1 0 326.400 2.791 20 5 EFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947691 577189267 /nfs/dbraw/zinc/18/92/67/577189267.db2.gz ZWQFSDIEXANCOL-RHSMWYFYSA-N 1 0 348.378 2.556 20 5 EFBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000725851385 577250665 /nfs/dbraw/zinc/25/06/65/577250665.db2.gz QXXVMYDPBHMPFB-UHFFFAOYSA-N 1 0 336.351 2.871 20 5 EFBDRO CC[N@H+](CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000769039842 577326714 /nfs/dbraw/zinc/32/67/14/577326714.db2.gz ZDRJBEQMYUGOSD-UHFFFAOYSA-N 1 0 343.383 2.826 20 5 EFBDRO C[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000769446066 577362859 /nfs/dbraw/zinc/36/28/59/577362859.db2.gz LETXEDVYAIAWSN-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769688839 577378668 /nfs/dbraw/zinc/37/86/68/577378668.db2.gz KELRERZDYPIRBI-BETUJISGSA-N 1 0 348.447 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CCCC3)CC2)cc1 ZINC000769996248 577396939 /nfs/dbraw/zinc/39/69/39/577396939.db2.gz ODCVPVMLNGKGRW-UHFFFAOYSA-N 1 0 333.432 2.706 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn21 ZINC000772905011 581379850 /nfs/dbraw/zinc/37/98/50/581379850.db2.gz STEPGHWHOFULKX-DZGCQCFKSA-N 1 0 341.415 2.696 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CSCCS2)n1 ZINC000774220435 581487476 /nfs/dbraw/zinc/48/74/76/581487476.db2.gz YJJSRNOCTAIGKP-RWMBFGLXSA-N 1 0 342.490 2.713 20 5 EFBDRO CCOC(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000774375640 581490416 /nfs/dbraw/zinc/49/04/16/581490416.db2.gz DFFQYDPFZGNEFF-KGLIPLIRSA-N 1 0 340.424 2.654 20 5 EFBDRO CCOC(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC ZINC000774375643 581490454 /nfs/dbraw/zinc/49/04/54/581490454.db2.gz DFFQYDPFZGNEFF-ZIAGYGMSSA-N 1 0 340.424 2.654 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@@H]([NH+]4CCCC4)C3)c2c(Cl)c1 ZINC000774626862 581495651 /nfs/dbraw/zinc/49/56/51/581495651.db2.gz LEKANBQZXYOORA-CYBMUJFWSA-N 1 0 349.822 2.726 20 5 EFBDRO COC1(C)CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000774639454 581496097 /nfs/dbraw/zinc/49/60/97/581496097.db2.gz LHTMGIMPGNVDCD-UHFFFAOYSA-N 1 0 330.388 2.917 20 5 EFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000820115935 606037075 /nfs/dbraw/zinc/03/70/75/606037075.db2.gz CGUNPQRWXLTNOE-UHFFFAOYSA-N 1 0 347.423 2.696 20 5 EFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000822020768 606999627 /nfs/dbraw/zinc/99/96/27/606999627.db2.gz IMNJCDLEFOXCCL-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826282903 607909983 /nfs/dbraw/zinc/90/99/83/607909983.db2.gz FMMRUNOOKHFWEF-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826288241 608525001 /nfs/dbraw/zinc/52/50/01/608525001.db2.gz XFIVHEAHPHZQJO-UHFFFAOYSA-N 1 0 338.371 2.715 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000128468194 1248228052 /nfs/dbraw/zinc/22/80/52/1248228052.db2.gz SUWLUWHGLCYIIH-GXSJLCMTSA-N 1 0 329.194 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850395907 1250465216 /nfs/dbraw/zinc/46/52/16/1250465216.db2.gz DSDSAWMADCXKBH-OAHLLOKOSA-N 1 0 339.823 2.591 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000850422268 1250478667 /nfs/dbraw/zinc/47/86/67/1250478667.db2.gz KTYCATCBJUHHND-GFCCVEGCSA-N 1 0 341.371 2.539 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850424832 1250481227 /nfs/dbraw/zinc/48/12/27/1250481227.db2.gz MAZKJXWKIINQGQ-YVEFUNNKSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000850424399 1250481595 /nfs/dbraw/zinc/48/15/95/1250481595.db2.gz JSQCXLDFKNVYQC-GFCCVEGCSA-N 1 0 336.388 2.940 20 5 EFBDRO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 ZINC000850557741 1250536529 /nfs/dbraw/zinc/53/65/29/1250536529.db2.gz XGAFLODGJQPZIK-CYBMUJFWSA-N 1 0 348.447 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850560453 1250537968 /nfs/dbraw/zinc/53/79/68/1250537968.db2.gz KPVNYGCPQYJPOO-UHFFFAOYSA-N 1 0 339.486 2.959 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850574616 1250544126 /nfs/dbraw/zinc/54/41/26/1250544126.db2.gz ZVLZFWAFTCUXTO-FHSNZYRGSA-N 1 0 329.400 2.992 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000850721419 1250577933 /nfs/dbraw/zinc/57/79/33/1250577933.db2.gz QQMYCLYQWBRPID-AWEZNQCLSA-N 1 0 349.406 2.894 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851468618 1251017600 /nfs/dbraw/zinc/01/76/00/1251017600.db2.gz MTYBNQXCRVOUFI-GOSISDBHSA-N 1 0 340.379 2.955 20 5 EFBDRO C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000851646998 1251167961 /nfs/dbraw/zinc/16/79/61/1251167961.db2.gz XETCJNIKIOZQOW-KOLCDFICSA-N 1 0 343.786 2.516 20 5 EFBDRO CC(C)(C(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001107464124 1255903815 /nfs/dbraw/zinc/90/38/15/1255903815.db2.gz QLORVADNOKQCPN-AATRIKPKSA-N 1 0 346.431 2.554 20 5 EFBDRO Cc1cocc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996882233 1256327528 /nfs/dbraw/zinc/32/75/28/1256327528.db2.gz JOBKCYLBPCBEOX-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO Cc1coc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000996895498 1256391643 /nfs/dbraw/zinc/39/16/43/1256391643.db2.gz NDQYNMWZKVEJET-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CC(F)(F)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996963637 1256596192 /nfs/dbraw/zinc/59/61/92/1256596192.db2.gz GIGZKZOWVHNBMR-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC000921611498 1257540210 /nfs/dbraw/zinc/54/02/10/1257540210.db2.gz HTNGJYHSOPBSNP-UHFFFAOYSA-N 1 0 330.388 2.890 20 5 EFBDRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997469991 1257668574 /nfs/dbraw/zinc/66/85/74/1257668574.db2.gz KMCVSZVKFPSVSD-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO O=C(c1ccc[nH]1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997535952 1257907611 /nfs/dbraw/zinc/90/76/11/1257907611.db2.gz BNVGLBHMLZONFQ-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO CC(C)C(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997545618 1257944615 /nfs/dbraw/zinc/94/46/15/1257944615.db2.gz DMYQQZZEFWHPNJ-UHFFFAOYSA-N 1 0 325.434 2.641 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997638036 1258141858 /nfs/dbraw/zinc/14/18/58/1258141858.db2.gz PERKBLUUJWLNKI-VOTSOKGWSA-N 1 0 343.427 2.889 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997651716 1258167632 /nfs/dbraw/zinc/16/76/32/1258167632.db2.gz UDJWHWGTRBKOOO-FPLPWBNLSA-N 1 0 343.427 2.889 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997664855 1258194390 /nfs/dbraw/zinc/19/43/90/1258194390.db2.gz WGRVAPOZNZGLTA-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922543244 1266237529 /nfs/dbraw/zinc/23/75/29/1266237529.db2.gz OOXNQYMMLIYFBH-CYBMUJFWSA-N 1 0 327.388 2.836 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN3C)o2)c([N+](=O)[O-])c1 ZINC000922574897 1266286684 /nfs/dbraw/zinc/28/66/84/1266286684.db2.gz BVSMKTAZMDJSIK-LBPRGKRZSA-N 1 0 331.372 2.657 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922591968 1266397863 /nfs/dbraw/zinc/39/78/63/1266397863.db2.gz JWPBTTMXOMEJSO-GSPCDJLXSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923331499 1261506379 /nfs/dbraw/zinc/50/63/79/1261506379.db2.gz MHTOZYDGOXQSMM-ZJUUUORDSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923331495 1261507097 /nfs/dbraw/zinc/50/70/97/1261507097.db2.gz MHTOZYDGOXQSMM-UWVGGRQHSA-N 1 0 328.210 2.526 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923331724 1261507932 /nfs/dbraw/zinc/50/79/32/1261507932.db2.gz MVXLMUDAJHTKCI-AWEZNQCLSA-N 1 0 340.221 2.543 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923421363 1261645204 /nfs/dbraw/zinc/64/52/04/1261645204.db2.gz NDRGTNBXERDYJI-VXGBXAGGSA-N 1 0 328.210 2.573 20 5 EFBDRO [NH3+]CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000923557126 1261914534 /nfs/dbraw/zinc/91/45/34/1261914534.db2.gz KYLLGLNIFXWURA-CQSZACIVSA-N 1 0 327.384 2.926 20 5 EFBDRO Cc1c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000922683478 1266572544 /nfs/dbraw/zinc/57/25/44/1266572544.db2.gz WUXHMDQRXXFNLK-UHFFFAOYSA-N 1 0 348.424 2.639 20 5 EFBDRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002791039 1264078314 /nfs/dbraw/zinc/07/83/14/1264078314.db2.gz GZHMAEYLFGBSSO-QZTJIDSGSA-N 1 0 345.443 2.556 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824657762 1278221901 /nfs/dbraw/zinc/22/19/01/1278221901.db2.gz FSNIQGFSMFTGJC-XOKHGSTOSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001230034218 1264499984 /nfs/dbraw/zinc/49/99/84/1264499984.db2.gz GJFIQZOKVMPKEH-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001230688040 1264756620 /nfs/dbraw/zinc/75/66/20/1264756620.db2.gz JHTCHBBXRMOENC-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000822362635 1265080088 /nfs/dbraw/zinc/08/00/88/1265080088.db2.gz ONLDNYGZIZRKAG-PSASIEDQSA-N 1 0 329.759 2.600 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC3OCCCO3)o2)c([N+](=O)[O-])c1 ZINC000922275143 1265212359 /nfs/dbraw/zinc/21/23/59/1265212359.db2.gz CIJLKIMCJVXQLN-UHFFFAOYSA-N 1 0 348.355 2.716 20 5 EFBDRO COc1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000791692519 1278275161 /nfs/dbraw/zinc/27/51/61/1278275161.db2.gz NFZYKPLIHXHKEX-CQSZACIVSA-N 1 0 336.388 2.943 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000735084633 1267199904 /nfs/dbraw/zinc/19/99/04/1267199904.db2.gz MQIGODNVHLXNKL-DEOSSOPVSA-N 1 0 347.440 2.831 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735210120 1267230965 /nfs/dbraw/zinc/23/09/65/1267230965.db2.gz KGEGDBFFQIPALD-QGZVFWFLSA-N 1 0 340.379 2.955 20 5 EFBDRO CC1(C)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCCO1 ZINC000735298927 1267263601 /nfs/dbraw/zinc/26/36/01/1267263601.db2.gz VKFZDXUJMGGVQX-UHFFFAOYSA-N 1 0 330.388 2.917 20 5 EFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC000735991302 1267481725 /nfs/dbraw/zinc/48/17/25/1267481725.db2.gz PLRFTTJGYDHYJP-UHFFFAOYSA-N 1 0 348.399 2.673 20 5 EFBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000132907016 1268348953 /nfs/dbraw/zinc/34/89/53/1268348953.db2.gz KCZDGOOQNCWTRK-WFASDCNBSA-N 1 0 344.371 2.634 20 5 EFBDRO CN(C(=O)CC1CC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005042108 1268436316 /nfs/dbraw/zinc/43/63/16/1268436316.db2.gz XTJIBHAQUIDJON-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CN(C(=O)c1ccco1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005051546 1268464620 /nfs/dbraw/zinc/46/46/20/1268464620.db2.gz RAANNXZHKMFECT-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C ZINC000740870219 1269144930 /nfs/dbraw/zinc/14/49/30/1269144930.db2.gz BJOTZNKBTZBAAT-GXTWGEPZSA-N 1 0 346.431 2.789 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000741017257 1269249787 /nfs/dbraw/zinc/24/97/87/1269249787.db2.gz MJVVJBUMDSTDSY-AVGNSLFASA-N 1 0 336.388 2.908 20 5 EFBDRO CN(C(=O)C1CC=CC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005199325 1269425646 /nfs/dbraw/zinc/42/56/46/1269425646.db2.gz VZILMDKMWVHDJT-UHFFFAOYSA-N 1 0 343.427 2.984 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](CCO)C1CC1 ZINC000741258904 1269444525 /nfs/dbraw/zinc/44/45/25/1269444525.db2.gz QVVBKXXWRVLVDB-LBPRGKRZSA-N 1 0 329.194 2.608 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001086014984 1269527782 /nfs/dbraw/zinc/52/77/82/1269527782.db2.gz QFWUFGLOYTZCCU-WOVMCDHWSA-N 1 0 339.395 2.893 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001086014899 1269527993 /nfs/dbraw/zinc/52/79/93/1269527993.db2.gz MACXWEZTSVEOCZ-WOVMCDHWSA-N 1 0 339.395 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](CC2CC2)CC1 ZINC000741751104 1269686930 /nfs/dbraw/zinc/68/69/30/1269686930.db2.gz QSHPIKNTUSFQTM-UHFFFAOYSA-N 1 0 340.221 2.889 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC001086069658 1269766834 /nfs/dbraw/zinc/76/68/34/1269766834.db2.gz FCHIFYGUAUMFSF-VDISTLRHSA-N 1 0 349.412 2.856 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086074607 1269795111 /nfs/dbraw/zinc/79/51/11/1269795111.db2.gz YBVXSFZMZUIZRA-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO C[C@H]1CCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000742386563 1270016630 /nfs/dbraw/zinc/01/66/30/1270016630.db2.gz HOGUIYDBJLZPGR-AWEZNQCLSA-N 1 0 343.431 2.569 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000843831768 1270070443 /nfs/dbraw/zinc/07/04/43/1270070443.db2.gz RCZYLKGSXXVGDS-OCCSQVGLSA-N 1 0 335.379 2.599 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825408526 1278540278 /nfs/dbraw/zinc/54/02/78/1278540278.db2.gz BKWAVGHYSFBREK-JCGIZDLHSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086169520 1270320212 /nfs/dbraw/zinc/32/02/12/1270320212.db2.gz RVGXZECIWNXLIY-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ccc(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743472886 1270598032 /nfs/dbraw/zinc/59/80/32/1270598032.db2.gz RHQGHMNABQGBOD-GOSISDBHSA-N 1 0 339.395 2.841 20 5 EFBDRO Cc1ccc(N2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743472889 1270598473 /nfs/dbraw/zinc/59/84/73/1270598473.db2.gz RHQGHMNABQGBOD-SFHVURJKSA-N 1 0 339.395 2.841 20 5 EFBDRO CN(C)c1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743836034 1270777437 /nfs/dbraw/zinc/77/74/37/1270777437.db2.gz OBROFSCLRGOZQS-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086271388 1270781771 /nfs/dbraw/zinc/78/17/71/1270781771.db2.gz WNWZIPMFRJPXES-BJHJDKERSA-N 1 0 348.428 2.591 20 5 EFBDRO Cn1c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000744024932 1270835439 /nfs/dbraw/zinc/83/54/39/1270835439.db2.gz ADOPWZCKMIUBOC-UHFFFAOYSA-N 1 0 348.447 2.708 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001086295985 1270877403 /nfs/dbraw/zinc/87/74/03/1270877403.db2.gz MACXWEZTSVEOCZ-JCNLHEQBSA-N 1 0 339.395 2.893 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001086303115 1270906456 /nfs/dbraw/zinc/90/64/56/1270906456.db2.gz QGPKPHCXTOXZTJ-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086303412 1270908733 /nfs/dbraw/zinc/90/87/33/1270908733.db2.gz DXGNBBQNFCVXTR-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086303622 1270909907 /nfs/dbraw/zinc/90/99/07/1270909907.db2.gz OTHQSEZHZPGXBD-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsc1 ZINC001086304135 1270913863 /nfs/dbraw/zinc/91/38/63/1270913863.db2.gz PBWODKSHSSSWAR-NNUKFRKNSA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC(C[NH+]3CCCCC3)CC2)nc2ccccn21 ZINC000744171663 1270925558 /nfs/dbraw/zinc/92/55/58/1270925558.db2.gz RVCADHAPIZCQFN-UHFFFAOYSA-N 1 0 343.431 2.945 20 5 EFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441434 1271049643 /nfs/dbraw/zinc/04/96/43/1271049643.db2.gz PKRALQSNDXBTPS-HIFRSBDPSA-N 1 0 344.415 2.934 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086337873 1271056620 /nfs/dbraw/zinc/05/66/20/1271056620.db2.gz OCJAJHJFWBKOGZ-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000843883667 1278633460 /nfs/dbraw/zinc/63/34/60/1278633460.db2.gz JEDXRPVTKPHSAV-AAEUAGOBSA-N 1 0 335.379 2.741 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746049934 1271744625 /nfs/dbraw/zinc/74/46/25/1271744625.db2.gz YHAKMGHNCUFSST-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cc(-n2cnc(C)c2CSCC[NH3+])cc([N+](=O)[O-])c1C ZINC001168790342 1272281246 /nfs/dbraw/zinc/28/12/46/1272281246.db2.gz HHHUJLHNMCWALR-UHFFFAOYSA-N 1 0 336.417 2.598 20 5 EFBDRO CC(F)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034580014 1272290660 /nfs/dbraw/zinc/29/06/60/1272290660.db2.gz SLFBNIKGIJOSDN-JOCQHMNTSA-N 1 0 341.358 2.767 20 5 EFBDRO CC(C)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034575918 1272319942 /nfs/dbraw/zinc/31/99/42/1272319942.db2.gz XWEJWOAARJHOCA-HDJSIYSDSA-N 1 0 337.395 2.860 20 5 EFBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034593565 1272345592 /nfs/dbraw/zinc/34/55/92/1272345592.db2.gz SHBSKZTWLFZNOO-JOCQHMNTSA-N 1 0 325.434 2.829 20 5 EFBDRO Cc1ncn(-c2ccnc3c2cccc3[N+](=O)[O-])c1CSCC[NH3+] ZINC001168797707 1272405716 /nfs/dbraw/zinc/40/57/16/1272405716.db2.gz OJEVBDULXGGIEW-UHFFFAOYSA-N 1 0 343.412 2.829 20 5 EFBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168976265 1272546160 /nfs/dbraw/zinc/54/61/60/1272546160.db2.gz CDYPMNVSXKOWPX-GXFFZTMASA-N 1 0 330.306 2.923 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001168976710 1272547335 /nfs/dbraw/zinc/54/73/35/1272547335.db2.gz FPPPZGDYPLHNGK-RYUDHWBXSA-N 1 0 344.333 2.966 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168979696 1272549603 /nfs/dbraw/zinc/54/96/03/1272549603.db2.gz ZJAXLMYLQQCJIC-LERXQTSPSA-N 1 0 332.322 2.774 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956558 1272555450 /nfs/dbraw/zinc/55/54/50/1272555450.db2.gz BQEFZHFPMQZAAT-CBBWQLFWSA-N 1 0 341.452 2.524 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964479 1272558008 /nfs/dbraw/zinc/55/80/08/1272558008.db2.gz TZBAIHYHPROLAG-XQLPTFJDSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964477 1272558021 /nfs/dbraw/zinc/55/80/21/1272558021.db2.gz TZBAIHYHPROLAG-KBXIAJHMSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964476 1272558159 /nfs/dbraw/zinc/55/81/59/1272558159.db2.gz TZBAIHYHPROLAG-KBUPBQIOSA-N 1 0 341.452 2.857 20 5 EFBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963920 1272558203 /nfs/dbraw/zinc/55/82/03/1272558203.db2.gz QNPMODFAWSAQSM-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001168965141 1272558324 /nfs/dbraw/zinc/55/83/24/1272558324.db2.gz YIKISMZSTKWYSW-WCQYABFASA-N 1 0 343.221 2.863 20 5 EFBDRO O=C1CCC2(CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001168965076 1272558415 /nfs/dbraw/zinc/55/84/15/1272558415.db2.gz XULRJXWUQUOGOV-SDDULXJBSA-N 1 0 349.475 2.735 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001168966813 1272559797 /nfs/dbraw/zinc/55/97/97/1272559797.db2.gz LHASTIKBFJAUEK-MAUKXSAKSA-N 1 0 335.423 2.825 20 5 EFBDRO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967519 1272559893 /nfs/dbraw/zinc/55/98/93/1272559893.db2.gz QIANFVRWSGOTMR-SJLPKXTDSA-N 1 0 347.459 2.695 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3F)CCOCC2)C1 ZINC001168966566 1272559976 /nfs/dbraw/zinc/55/99/76/1272559976.db2.gz JMWJDMYOXHGELG-HUUCEWRRSA-N 1 0 336.407 2.909 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168973535 1272563585 /nfs/dbraw/zinc/56/35/85/1272563585.db2.gz OYPFVYFJUOWRJS-PBHICJAKSA-N 1 0 346.427 2.512 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168974035 1272565451 /nfs/dbraw/zinc/56/54/51/1272565451.db2.gz PZEDZNPURWZZPF-GRDNDAEWSA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3cc(Br)ccc32)C1 ZINC001168991395 1272567731 /nfs/dbraw/zinc/56/77/31/1272567731.db2.gz GRBWBDFDSSRPEE-SUZMYJTESA-N 1 0 341.205 2.918 20 5 EFBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccc2ccccc2c1 ZINC001168991406 1272568273 /nfs/dbraw/zinc/56/82/73/1272568273.db2.gz GSBUTGZCKXYYJT-CZUORRHYSA-N 1 0 327.384 2.813 20 5 EFBDRO CCOC(=O)CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168991623 1272568634 /nfs/dbraw/zinc/56/86/34/1272568634.db2.gz IEMFPJIEYSTIKD-IAGOWNOFSA-N 1 0 334.416 2.717 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2F)C1 ZINC001168992496 1272569998 /nfs/dbraw/zinc/56/99/98/1272569998.db2.gz KCOLSBGFNAPFPU-UKRRQHHQSA-N 1 0 332.379 2.606 20 5 EFBDRO O=C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993243 1272570667 /nfs/dbraw/zinc/57/06/67/1272570667.db2.gz MCRAPUFFDXBYDT-RHSMWYFYSA-N 1 0 337.464 2.593 20 5 EFBDRO COc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996047 1272573448 /nfs/dbraw/zinc/57/34/48/1272573448.db2.gz UMNAMUKKMZGKFK-FUHWJXTLSA-N 1 0 347.459 2.695 20 5 EFBDRO COc1ccccc1C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998536 1272574443 /nfs/dbraw/zinc/57/44/43/1272574443.db2.gz OJPDGBVQXOUZPY-GJZGRUSLSA-N 1 0 334.416 2.736 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3cccc(F)c3)cn2)C1 ZINC001168998414 1272574500 /nfs/dbraw/zinc/57/45/00/1272574500.db2.gz MQWXEYFDHKNANP-ZBFHGGJFSA-N 1 0 332.379 2.606 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3F)cn2)C1 ZINC001168997957 1272574618 /nfs/dbraw/zinc/57/46/18/1272574618.db2.gz GVPOSESVCJSWMD-UKRRQHHQSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccccc1CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998135 1272574698 /nfs/dbraw/zinc/57/46/98/1272574698.db2.gz IRONLEOPDVZQTD-DOTOQJQBSA-N 1 0 348.443 2.822 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCCC1 ZINC001168998392 1272574746 /nfs/dbraw/zinc/57/47/46/1272574746.db2.gz MHEOTWMAMJBZGL-HJWJTTGWSA-N 1 0 337.464 2.639 20 5 EFBDRO COc1ccccc1CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998137 1272575130 /nfs/dbraw/zinc/57/51/30/1272575130.db2.gz IRONLEOPDVZQTD-RDJZCZTQSA-N 1 0 348.443 2.822 20 5 EFBDRO COc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998557 1272575581 /nfs/dbraw/zinc/57/55/81/1272575581.db2.gz OOMKNTCPGKNMJT-HOCLYGCPSA-N 1 0 334.416 2.736 20 5 EFBDRO O=C1CCCCN1c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169000220 1272576151 /nfs/dbraw/zinc/57/61/51/1272576151.db2.gz XBSWKMGXAHUFAK-JKSUJKDBSA-N 1 0 331.416 2.739 20 5 EFBDRO O=C1CCCCN1c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169000217 1272576496 /nfs/dbraw/zinc/57/64/96/1272576496.db2.gz XBSWKMGXAHUFAK-HOTGVXAUSA-N 1 0 331.416 2.739 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC001169000354 1272576786 /nfs/dbraw/zinc/57/67/86/1272576786.db2.gz XQJIKYGYLQKGJK-RDJZCZTQSA-N 1 0 336.407 2.952 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169000775 1272577627 /nfs/dbraw/zinc/57/76/27/1272577627.db2.gz BQVJSKXETJSKPZ-VMGRFDJRSA-N 1 0 332.400 2.886 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1Br ZINC001169005378 1272578760 /nfs/dbraw/zinc/57/87/60/1272578760.db2.gz TWBIIYTWXIFNMH-VXGBXAGGSA-N 1 0 343.221 2.993 20 5 EFBDRO CCOc1ccccc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006200 1272580504 /nfs/dbraw/zinc/58/05/04/1272580504.db2.gz FZAPSPMEDJQFAM-JKSUJKDBSA-N 1 0 333.432 2.653 20 5 EFBDRO CCOc1ccccc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006194 1272580859 /nfs/dbraw/zinc/58/08/59/1272580859.db2.gz FZAPSPMEDJQFAM-CVEARBPZSA-N 1 0 333.432 2.653 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2CCCC[C@@H]12 ZINC001169010311 1272583352 /nfs/dbraw/zinc/58/33/52/1272583352.db2.gz CPIGGGCSZZNVED-NNXHMXCWSA-N 1 0 338.448 2.733 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010698 1272583400 /nfs/dbraw/zinc/58/34/00/1272583400.db2.gz FQIGSTQXFHQQHA-IRXDYDNUSA-N 1 0 334.416 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013124 1272584573 /nfs/dbraw/zinc/58/45/73/1272584573.db2.gz UFSSYYKDCDYKPB-ZQDZILKHSA-N 1 0 339.436 2.516 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169011593 1272585452 /nfs/dbraw/zinc/58/54/52/1272585452.db2.gz LHZMCKLXJMWOJA-SVGFKBNWSA-N 1 0 332.400 2.668 20 5 EFBDRO CCCN(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168986771 1272588178 /nfs/dbraw/zinc/58/81/78/1272588178.db2.gz ZCTQNJWTIVTMLR-KGLIPLIRSA-N 1 0 329.441 2.669 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988401 1272588368 /nfs/dbraw/zinc/58/83/68/1272588368.db2.gz RVVUKQKNTDYFTI-RDBSUJKOSA-N 1 0 329.441 2.571 20 5 EFBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987871 1272588521 /nfs/dbraw/zinc/58/85/21/1272588521.db2.gz KZRGSBPYENKKDL-LXTVHRRPSA-N 1 0 341.452 2.809 20 5 EFBDRO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)co2)cc1 ZINC001168987922 1272588874 /nfs/dbraw/zinc/58/88/74/1272588874.db2.gz LIMATWMPWIQEMS-GXTWGEPZSA-N 1 0 331.372 2.885 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988398 1272589430 /nfs/dbraw/zinc/58/94/30/1272589430.db2.gz RVVUKQKNTDYFTI-IHRRRGAJSA-N 1 0 329.441 2.571 20 5 EFBDRO O=C1Nc2c(cccc2F)C12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169030395 1272593983 /nfs/dbraw/zinc/59/39/83/1272593983.db2.gz ZPLYZVNWQJSJMO-CHWSQXEVSA-N 1 0 347.390 2.557 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169028949 1272594364 /nfs/dbraw/zinc/59/43/64/1272594364.db2.gz SYGPOPVPZKYXJO-KKUMJFAQSA-N 1 0 341.452 2.669 20 5 EFBDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033232 1272595799 /nfs/dbraw/zinc/59/57/99/1272595799.db2.gz BLVFFQGSEAYJDF-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncc(Br)cc3C2)C1 ZINC001169034517 1272596518 /nfs/dbraw/zinc/59/65/18/1272596518.db2.gz GYCFLPMZCZGWAP-GWCFXTLKSA-N 1 0 340.221 2.648 20 5 EFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035619 1272599056 /nfs/dbraw/zinc/59/90/56/1272599056.db2.gz KVBIOLSXZWWMGO-RWMBFGLXSA-N 1 0 338.477 2.504 20 5 EFBDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035725 1272599227 /nfs/dbraw/zinc/59/92/27/1272599227.db2.gz LMDKPAVMFTZGNY-KGLIPLIRSA-N 1 0 343.427 2.990 20 5 EFBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001169035523 1272599824 /nfs/dbraw/zinc/59/98/24/1272599824.db2.gz BTOMFVQLYUQWJX-KKUMJFAQSA-N 1 0 341.452 2.763 20 5 EFBDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035728 1272601416 /nfs/dbraw/zinc/60/14/16/1272601416.db2.gz LMDKPAVMFTZGNY-UONOGXRCSA-N 1 0 343.427 2.990 20 5 EFBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169037540 1272603084 /nfs/dbraw/zinc/60/30/84/1272603084.db2.gz SEDOFOLAONWQEW-BARDWOONSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC001169037955 1272604749 /nfs/dbraw/zinc/60/47/49/1272604749.db2.gz UIPISJRRTVQXRA-RHSMWYFYSA-N 1 0 326.400 2.676 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001169038337 1272604855 /nfs/dbraw/zinc/60/48/55/1272604855.db2.gz YFWCXCGOZZCOIW-CABCVRRESA-N 1 0 328.416 2.669 20 5 EFBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037999 1272605823 /nfs/dbraw/zinc/60/58/23/1272605823.db2.gz UUZBCMAFGZRDGX-ZFWWWQNUSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169038129 1272605964 /nfs/dbraw/zinc/60/59/64/1272605964.db2.gz VWLYRGKNUBBRNH-UONOGXRCSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([N@H+](C2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039806 1272607435 /nfs/dbraw/zinc/60/74/35/1272607435.db2.gz UDCICEVSUDVTNS-OCCSQVGLSA-N 1 0 339.436 2.516 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041586 1272612589 /nfs/dbraw/zinc/61/25/89/1272612589.db2.gz BIYUTRMXKOETHT-APIJFGDWSA-N 1 0 341.452 2.809 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001169045649 1272612767 /nfs/dbraw/zinc/61/27/67/1272612767.db2.gz JPCDSXIQSOUJHF-YDZRNGNQSA-N 1 0 329.444 2.638 20 5 EFBDRO O=C1c2ccccc2CN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169041649 1272613091 /nfs/dbraw/zinc/61/30/91/1272613091.db2.gz BTUVIZGPEYRVLN-PBHICJAKSA-N 1 0 343.427 2.552 20 5 EFBDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018508 1272618771 /nfs/dbraw/zinc/61/87/71/1272618771.db2.gz CVKROCBRDSORCF-CPUCHLNUSA-N 1 0 349.456 2.622 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001169026405 1272623837 /nfs/dbraw/zinc/62/38/37/1272623837.db2.gz LSLGWGPKGVPJBM-QAPCUYQASA-N 1 0 326.400 2.924 20 5 EFBDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169026465 1272624237 /nfs/dbraw/zinc/62/42/37/1272624237.db2.gz XHAHCIDGSPTRQQ-CWQOZTLDSA-N 1 0 340.464 2.726 20 5 EFBDRO O=C(Nc1ccccc1)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046901 1272625000 /nfs/dbraw/zinc/62/50/00/1272625000.db2.gz OGLYXCXPERVOTQ-PBHICJAKSA-N 1 0 346.431 2.718 20 5 EFBDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047052 1272625486 /nfs/dbraw/zinc/62/54/86/1272625486.db2.gz QLVPLZOLOVPTMY-XIRDDKMYSA-N 1 0 334.416 2.886 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169048313 1272627663 /nfs/dbraw/zinc/62/76/63/1272627663.db2.gz UPAAHNQMLVWDOZ-YOEHRIQHSA-N 1 0 328.416 2.669 20 5 EFBDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050033 1272629339 /nfs/dbraw/zinc/62/93/39/1272629339.db2.gz YGQWJBBVKQJSIV-UONOGXRCSA-N 1 0 329.441 2.669 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169050434 1272629431 /nfs/dbraw/zinc/62/94/31/1272629431.db2.gz ZPGBDCKNJUMEMF-TUVASFSCSA-N 1 0 341.452 2.667 20 5 EFBDRO CN(C(=O)c1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169053221 1272630361 /nfs/dbraw/zinc/63/03/61/1272630361.db2.gz IJROAISQFBIYMQ-YJBOKZPZSA-N 1 0 345.443 2.668 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169054249 1272630630 /nfs/dbraw/zinc/63/06/30/1272630630.db2.gz LHZMCKLXJMWOJA-ORQFMDKSSA-N 1 0 332.400 2.668 20 5 EFBDRO COc1nc(C)nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169138940 1272696491 /nfs/dbraw/zinc/69/64/91/1272696491.db2.gz WVVOSTMKNYRXIN-ZBEGNZNMSA-N 1 0 337.424 2.657 20 5 EFBDRO CC1(C)C[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169139143 1272697193 /nfs/dbraw/zinc/69/71/93/1272697193.db2.gz YTRZEYQDVKNVBO-ZUZCIYMTSA-N 1 0 342.827 2.837 20 5 EFBDRO CC1(C)C[C@@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C[C@@](C)(C[NH3+])C1 ZINC001169142659 1272704793 /nfs/dbraw/zinc/70/47/93/1272704793.db2.gz NEBBFFNQGQLYKQ-QLJPJBMISA-N 1 0 332.408 2.822 20 5 EFBDRO CC1(C)C[C@@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C[C@](C)(C[NH3+])C1 ZINC001169142656 1272705175 /nfs/dbraw/zinc/70/51/75/1272705175.db2.gz NEBBFFNQGQLYKQ-HWPZZCPQSA-N 1 0 332.408 2.822 20 5 EFBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C[C@@](C)(C[NH3+])C1 ZINC001169147712 1272710588 /nfs/dbraw/zinc/71/05/88/1272710588.db2.gz SSGBUBRREOTMIT-BBATYDOGSA-N 1 0 346.431 2.794 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001169228044 1272746876 /nfs/dbraw/zinc/74/68/76/1272746876.db2.gz KZOMIWHNOJLJSU-SSDOTTSWSA-N 1 0 342.812 2.746 20 5 EFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cnc(F)c([N+](=O)[O-])c3)c2C1 ZINC001171099235 1278732954 /nfs/dbraw/zinc/73/29/54/1278732954.db2.gz LYLSVLLSDKZFQT-SNVBAGLBSA-N 1 0 326.331 2.889 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc21 ZINC001169378816 1272878067 /nfs/dbraw/zinc/87/80/67/1272878067.db2.gz USDXJEGHIVMIGV-YGRLFVJLSA-N 1 0 325.372 2.732 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc21 ZINC001169378812 1272879066 /nfs/dbraw/zinc/87/90/66/1272879066.db2.gz USDXJEGHIVMIGV-IINYFYTJSA-N 1 0 325.372 2.732 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCC[C@H]1CCC[NH2+]1 ZINC001169569654 1273015178 /nfs/dbraw/zinc/01/51/78/1273015178.db2.gz RCOIQYAGLVVFKF-SECBINFHSA-N 1 0 327.768 2.589 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592445 1273025760 /nfs/dbraw/zinc/02/57/60/1273025760.db2.gz SNYZAZYJJSVIIW-UHFFFAOYSA-N 1 0 328.372 2.932 20 5 EFBDRO O=C(NCc1ccc(C[NH2+]CC2=CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816295 1273055112 /nfs/dbraw/zinc/05/51/12/1273055112.db2.gz LIZLIIBWIPLAFT-QZTJIDSGSA-N 1 0 343.427 2.558 20 5 EFBDRO COc1nc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)nc(C)c1[N+](=O)[O-] ZINC001169684008 1273089985 /nfs/dbraw/zinc/08/99/85/1273089985.db2.gz QFZYUNWOCHCWQK-ZDUSSCGKSA-N 1 0 343.387 2.942 20 5 EFBDRO CCOC(=O)c1cc(NCC23CC[NH+](CC2)CC3)ccc1[N+](=O)[O-] ZINC001169801312 1273161390 /nfs/dbraw/zinc/16/13/90/1273161390.db2.gz BSZXIJUOPOTTHS-UHFFFAOYSA-N 1 0 333.388 2.669 20 5 EFBDRO C[NH+](C)CCOc1cc(NCCc2cncs2)ccc1[N+](=O)[O-] ZINC001169867153 1273216957 /nfs/dbraw/zinc/21/69/57/1273216957.db2.gz FWHYOZCMJWJKBT-UHFFFAOYSA-N 1 0 336.417 2.646 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001156564196 1273755931 /nfs/dbraw/zinc/75/59/31/1273755931.db2.gz ZGTZFUQWNWQVHD-UHFFFAOYSA-N 1 0 339.827 2.659 20 5 EFBDRO COc1cc(COC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1F ZINC000792552519 1278847777 /nfs/dbraw/zinc/84/77/77/1278847777.db2.gz LKEZVNRERICHKO-UHFFFAOYSA-N 1 0 345.286 2.747 20 5 EFBDRO Cc1cc(NCCCN(C)C(=O)C2(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001109605147 1274472042 /nfs/dbraw/zinc/47/20/42/1274472042.db2.gz PTSXABXNRMCAKS-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900008830 1274505856 /nfs/dbraw/zinc/50/58/56/1274505856.db2.gz CHGWSUGCDLRDAK-UHFFFAOYSA-N 1 0 329.759 2.601 20 5 EFBDRO Cc1cc(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001109652759 1274522195 /nfs/dbraw/zinc/52/21/95/1274522195.db2.gz ACFFOZRZAGOQKA-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000103482950 1278881680 /nfs/dbraw/zinc/88/16/80/1278881680.db2.gz SIKSNGNXGGUERY-INIZCTEOSA-N 1 0 348.374 2.999 20 5 EFBDRO CC1(CCC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001170022897 1274676734 /nfs/dbraw/zinc/67/67/34/1274676734.db2.gz LHUQORVBWXSODP-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3cc4cccnc4c4ncccc34)c2c1 ZINC001170023744 1274687228 /nfs/dbraw/zinc/68/72/28/1274687228.db2.gz DERDFTZSQABRPP-UHFFFAOYSA-N 1 0 326.363 2.976 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)cc1Cl ZINC000785721093 1275154412 /nfs/dbraw/zinc/15/44/12/1275154412.db2.gz IXHHVUTUTHKSEX-UHFFFAOYSA-N 1 0 329.784 2.787 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C[NH+]1CCCC1 ZINC000785759241 1275178153 /nfs/dbraw/zinc/17/81/53/1275178153.db2.gz KEMXHBZHJVWHOY-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000785985724 1275265832 /nfs/dbraw/zinc/26/58/32/1275265832.db2.gz QFGWBEUHDAKOJU-MRXNPFEDSA-N 1 0 340.448 2.856 20 5 EFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccccc1[N+](=O)[O-] ZINC000786096663 1275294718 /nfs/dbraw/zinc/29/47/18/1275294718.db2.gz NVBPXFNKXURTHA-UHFFFAOYSA-N 1 0 348.399 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786154286 1275313964 /nfs/dbraw/zinc/31/39/64/1275313964.db2.gz XDHDRUSRJBABFA-UHFFFAOYSA-N 1 0 335.404 2.637 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc2ccccn21 ZINC000786810214 1275549100 /nfs/dbraw/zinc/54/91/00/1275549100.db2.gz SNDWKCVOMLCNAG-KAMYIIQDSA-N 1 0 337.383 2.873 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786849976 1275556948 /nfs/dbraw/zinc/55/69/48/1275556948.db2.gz YXJGEAVEYYLKGG-NFAWXSAZSA-N 1 0 346.431 2.654 20 5 EFBDRO O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884179 1275583065 /nfs/dbraw/zinc/58/30/65/1275583065.db2.gz PYLYOVFZXVZCIY-KRWDZBQOSA-N 1 0 348.399 2.924 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086552695 1275744982 /nfs/dbraw/zinc/74/49/82/1275744982.db2.gz ZNEWCBYZUJZDOD-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)C[NH+]1CCCCCC1 ZINC000787308947 1275752358 /nfs/dbraw/zinc/75/23/58/1275752358.db2.gz QMCIPJIYCGOEBC-UHFFFAOYSA-N 1 0 348.447 2.904 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170299007 1278983865 /nfs/dbraw/zinc/98/38/65/1278983865.db2.gz PMZGGUPLCVOCAC-KZULUSFZSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170304499 1278989935 /nfs/dbraw/zinc/98/99/35/1278989935.db2.gz CPVYUIGVOQQKGS-STQMWFEESA-N 1 0 330.388 2.545 20 5 EFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3ccccc3c([N+](=O)[O-])c2)O1 ZINC001170280037 1278994733 /nfs/dbraw/zinc/99/47/33/1278994733.db2.gz SLZAFHKIUZFCHT-KURKYZTESA-N 1 0 345.399 2.885 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc3ccnn32)c([N+](=O)[O-])c1 ZINC001170313949 1279007698 /nfs/dbraw/zinc/00/76/98/1279007698.db2.gz SBMQWRHMUZPBGC-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313321 1279008157 /nfs/dbraw/zinc/00/81/57/1279008157.db2.gz LEPXEUUZSPOKTI-AWEZNQCLSA-N 1 0 342.395 2.936 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ncc(F)cn2)c([N+](=O)[O-])c1 ZINC001170313333 1279008597 /nfs/dbraw/zinc/00/85/97/1279008597.db2.gz LLGBJODYMNIYBS-GHMZBOCLSA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318682 1279011024 /nfs/dbraw/zinc/01/10/24/1279011024.db2.gz ROHLUNVVSQDGLQ-BBRMVZONSA-N 1 0 333.432 2.608 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503763 1276203167 /nfs/dbraw/zinc/20/31/67/1276203167.db2.gz NVHKNYYAHPXFLM-LLVKDONJSA-N 1 0 329.356 2.799 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506015 1276203856 /nfs/dbraw/zinc/20/38/56/1276203856.db2.gz IYWCHFYIUXWVAX-SNVBAGLBSA-N 1 0 329.360 2.518 20 5 EFBDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507577 1276204298 /nfs/dbraw/zinc/20/42/98/1276204298.db2.gz PQGKCQKFTZQSHD-GFCCVEGCSA-N 1 0 325.372 2.718 20 5 EFBDRO CCOc1nccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170324655 1279016057 /nfs/dbraw/zinc/01/60/57/1279016057.db2.gz RZGCYRQAHCOMDR-GFCCVEGCSA-N 1 0 346.387 2.513 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170317346 1279011996 /nfs/dbraw/zinc/01/19/96/1279011996.db2.gz GOHFITPVXGIUIM-CXAGYDPISA-N 1 0 338.404 2.667 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170323872 1279016637 /nfs/dbraw/zinc/01/66/37/1279016637.db2.gz NACQTPHHTMKIEU-LBPRGKRZSA-N 1 0 328.372 2.603 20 5 EFBDRO CCOc1cc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])ncn1 ZINC001170325339 1279016966 /nfs/dbraw/zinc/01/69/66/1279016966.db2.gz UCKJORSWFNQQQN-GFCCVEGCSA-N 1 0 346.387 2.513 20 5 EFBDRO CCC1(CC[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])OCCO1 ZINC001170326851 1279017934 /nfs/dbraw/zinc/01/79/34/1279017934.db2.gz BVXSXAVGTHXDDJ-CYBMUJFWSA-N 1 0 338.404 2.667 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170329315 1279018807 /nfs/dbraw/zinc/01/88/07/1279018807.db2.gz OIBXITPVYVECCR-CQSZACIVSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](O)(CF)CC2)c([N+](=O)[O-])c1 ZINC001170329604 1279020805 /nfs/dbraw/zinc/02/08/05/1279020805.db2.gz SGUKJCIBBXQTHA-GUYCJALGSA-N 1 0 340.395 2.721 20 5 EFBDRO CC(C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[NH3+] ZINC000817909674 1276371308 /nfs/dbraw/zinc/37/13/08/1276371308.db2.gz ZFJQGSNNUGKBFL-YGRLFVJLSA-N 1 0 327.812 2.826 20 5 EFBDRO CC(C)c1ocnc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170332089 1279022768 /nfs/dbraw/zinc/02/27/68/1279022768.db2.gz KVGKOMVVQAFHAY-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000818023246 1276435868 /nfs/dbraw/zinc/43/58/68/1276435868.db2.gz IEJCGFQOEOTRBH-FOGDFJRCSA-N 1 0 325.796 2.694 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000749316159 1276444078 /nfs/dbraw/zinc/44/40/78/1276444078.db2.gz KXPUEWBIIUUUIA-CYBMUJFWSA-N 1 0 341.358 2.928 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([N@H+](C)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170354959 1279033396 /nfs/dbraw/zinc/03/33/96/1279033396.db2.gz SMBGOCVFWPGVKC-CZUORRHYSA-N 1 0 333.432 2.703 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355865 1279033671 /nfs/dbraw/zinc/03/36/71/1279033671.db2.gz RROIUIGHFWPIDP-DUVNUKRYSA-N 1 0 332.400 2.835 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000818175847 1276479293 /nfs/dbraw/zinc/47/92/93/1276479293.db2.gz CNTIZJSZJHSVHD-QGZVFWFLSA-N 1 0 335.379 2.600 20 5 EFBDRO CC(C)(C(=O)Nc1cccc(OCC[NH3+])c1)c1ccc([N+](=O)[O-])cc1 ZINC000818543282 1276531836 /nfs/dbraw/zinc/53/18/36/1276531836.db2.gz OESVZDGETKBHMU-UHFFFAOYSA-N 1 0 343.383 2.849 20 5 EFBDRO CC(C)Oc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818961043 1276550969 /nfs/dbraw/zinc/55/09/69/1276550969.db2.gz NLSNKQGAVINEBC-MRXNPFEDSA-N 1 0 331.372 2.600 20 5 EFBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962704 1276551318 /nfs/dbraw/zinc/55/13/18/1276551318.db2.gz WAJUHTHWDIAPDR-INIZCTEOSA-N 1 0 331.372 2.600 20 5 EFBDRO COc1ccc(C)cc1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941245 1276554156 /nfs/dbraw/zinc/55/41/56/1276554156.db2.gz RGMLWEIHCRNAJG-QGZVFWFLSA-N 1 0 330.384 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCN2CCc3ccccc32)cc1 ZINC000818947227 1276555676 /nfs/dbraw/zinc/55/56/76/1276555676.db2.gz LLRUSUMAKOEEEH-IBGZPJMESA-N 1 0 341.411 2.671 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000818981777 1276562500 /nfs/dbraw/zinc/56/25/00/1276562500.db2.gz YYMLIZAEZNJWQW-MOPGFXCFSA-N 1 0 343.427 2.829 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000818979962 1276562831 /nfs/dbraw/zinc/56/28/31/1276562831.db2.gz FEGZXWNHEBJNGB-LJQANCHMSA-N 1 0 341.411 2.671 20 5 EFBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818984078 1276563932 /nfs/dbraw/zinc/56/39/32/1276563932.db2.gz WBHVAEQRGUEQES-KUHUBIRLSA-N 1 0 341.411 2.669 20 5 EFBDRO Cc1ccc(OCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818991500 1276564924 /nfs/dbraw/zinc/56/49/24/1276564924.db2.gz FSJVZLMAMGAVIU-GOSISDBHSA-N 1 0 330.384 2.995 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818967930 1276572924 /nfs/dbraw/zinc/57/29/24/1276572924.db2.gz FOVYAEVUSAWQDN-AWEZNQCLSA-N 1 0 338.310 2.705 20 5 EFBDRO CN(CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000818968805 1276572994 /nfs/dbraw/zinc/57/29/94/1276572994.db2.gz XXYPJZMROFDWFC-SFHVURJKSA-N 1 0 347.390 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000819045863 1276578668 /nfs/dbraw/zinc/57/86/68/1276578668.db2.gz JPPRDMOMGJSLDG-INIZCTEOSA-N 1 0 336.775 2.950 20 5 EFBDRO Cc1ccccc1OCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017745 1276590589 /nfs/dbraw/zinc/59/05/89/1276590589.db2.gz LQBJMURODHMREL-QGZVFWFLSA-N 1 0 330.384 2.995 20 5 EFBDRO COc1ccccc1OCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018242 1276592104 /nfs/dbraw/zinc/59/21/04/1276592104.db2.gz RJOYRKKZASZCIJ-INIZCTEOSA-N 1 0 346.383 2.696 20 5 EFBDRO CCN(C)c1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032685 1276595375 /nfs/dbraw/zinc/59/53/75/1276595375.db2.gz JOXWAQZKNYAEID-GOSISDBHSA-N 1 0 329.400 2.874 20 5 EFBDRO CCN(C)c1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032686 1276595757 /nfs/dbraw/zinc/59/57/57/1276595757.db2.gz JOXWAQZKNYAEID-SFHVURJKSA-N 1 0 329.400 2.874 20 5 EFBDRO COCc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000819037419 1276596307 /nfs/dbraw/zinc/59/63/07/1276596307.db2.gz QVNTVELJGZRMLL-KRWDZBQOSA-N 1 0 334.347 2.704 20 5 EFBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104692 1276609941 /nfs/dbraw/zinc/60/99/41/1276609941.db2.gz RYGZGJCLSFDIPN-IRXDYDNUSA-N 1 0 344.367 2.750 20 5 EFBDRO CCOc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000819069262 1276618736 /nfs/dbraw/zinc/61/87/36/1276618736.db2.gz NZMOOFYZZOUKKE-INIZCTEOSA-N 1 0 346.383 2.825 20 5 EFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819153650 1276631197 /nfs/dbraw/zinc/63/11/97/1276631197.db2.gz CDKVUABJEZDASY-IRXDYDNUSA-N 1 0 328.368 2.914 20 5 EFBDRO C[C@H](O)C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819156849 1276633813 /nfs/dbraw/zinc/63/38/13/1276633813.db2.gz ZIZGSWLTHPJDSN-FNHZYXHNSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000819113736 1276636920 /nfs/dbraw/zinc/63/69/20/1276636920.db2.gz UBRBRROAUYIQFF-PXAZEXFGSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819114731 1276638114 /nfs/dbraw/zinc/63/81/14/1276638114.db2.gz XGUOONCDLLFMED-UGSOOPFHSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819115682 1276638205 /nfs/dbraw/zinc/63/82/05/1276638205.db2.gz NUPLRFJIHKYQIK-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746800420 1276646016 /nfs/dbraw/zinc/64/60/16/1276646016.db2.gz ILKQBMSHPJIMTH-ZDUSSCGKSA-N 1 0 347.337 2.930 20 5 EFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819176154 1276656944 /nfs/dbraw/zinc/65/69/44/1276656944.db2.gz CGARDGZHFJJICL-UGSOOPFHSA-N 1 0 330.384 2.945 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000819177195 1276659052 /nfs/dbraw/zinc/65/90/52/1276659052.db2.gz CIVYANLWMHQHFF-INIZCTEOSA-N 1 0 344.367 2.579 20 5 EFBDRO CCOc1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819178906 1276659603 /nfs/dbraw/zinc/65/96/03/1276659603.db2.gz FOERSDUEGVPJBY-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO CCCCn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000819205053 1276677207 /nfs/dbraw/zinc/67/72/07/1276677207.db2.gz HEDMRTKKQACLKT-KRWDZBQOSA-N 1 0 332.404 2.723 20 5 EFBDRO CC(C)(O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819241277 1276680398 /nfs/dbraw/zinc/68/03/98/1276680398.db2.gz MYIRETNIARXERN-QGZVFWFLSA-N 1 0 330.384 2.645 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000819252364 1276686033 /nfs/dbraw/zinc/68/60/33/1276686033.db2.gz RKXAKNCRMGDUEV-HOTGVXAUSA-N 1 0 332.331 2.881 20 5 EFBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819215822 1276692552 /nfs/dbraw/zinc/69/25/52/1276692552.db2.gz OCPONJUGXAYENA-CXAGYDPISA-N 1 0 345.399 2.990 20 5 EFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819221079 1276695010 /nfs/dbraw/zinc/69/50/10/1276695010.db2.gz ICBCQTBLPJOZIA-VQIMIIECSA-N 1 0 342.395 2.784 20 5 EFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819221486 1276695420 /nfs/dbraw/zinc/69/54/20/1276695420.db2.gz KXRZGQRBLNAKSO-VQIMIIECSA-N 1 0 342.395 2.784 20 5 EFBDRO CCO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819266018 1276719471 /nfs/dbraw/zinc/71/94/71/1276719471.db2.gz KYOAZMVBOLRICG-MSOLQXFVSA-N 1 0 330.384 2.996 20 5 EFBDRO CC[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819339260 1276734853 /nfs/dbraw/zinc/73/48/53/1276734853.db2.gz NCSBHCOBBGFMKA-AAEUAGOBSA-N 1 0 336.310 2.575 20 5 EFBDRO COc1cccc(C2(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000819319423 1276745140 /nfs/dbraw/zinc/74/51/40/1276745140.db2.gz MIALMESFICVYPD-GOSISDBHSA-N 1 0 342.395 2.958 20 5 EFBDRO Cc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819321362 1276745644 /nfs/dbraw/zinc/74/56/44/1276745644.db2.gz GFJFXIPUJOOJHA-NVXWUHKLSA-N 1 0 328.368 2.530 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000711446663 1277137418 /nfs/dbraw/zinc/13/74/18/1277137418.db2.gz FUQPKBNFPXVARN-XBXGTLAGSA-N 1 0 335.404 2.988 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336584 1279029155 /nfs/dbraw/zinc/02/91/55/1279029155.db2.gz ZSHPXANECKAYOB-ZBINZKHDSA-N 1 0 342.342 2.500 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000820769706 1277304350 /nfs/dbraw/zinc/30/43/50/1277304350.db2.gz KHJPNUDAWCDXSF-OAHLLOKOSA-N 1 0 337.807 2.881 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874913 1277355351 /nfs/dbraw/zinc/35/53/51/1277355351.db2.gz VASLPZIQHSDXLY-VHSSKADRSA-N 1 0 343.427 2.641 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[N@H+](C)C1CC1 ZINC000790277163 1277392471 /nfs/dbraw/zinc/39/24/71/1277392471.db2.gz NNYOCRGPVWYLMS-UHFFFAOYSA-N 1 0 341.795 2.565 20 5 EFBDRO C[C@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923284835 1277484036 /nfs/dbraw/zinc/48/40/36/1277484036.db2.gz VUOPYFZARHABPB-JTQLQIEISA-N 1 0 342.237 2.917 20 5 EFBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CC[C@H](C)C1 ZINC000790476363 1277585383 /nfs/dbraw/zinc/58/53/83/1277585383.db2.gz CITWHNJQANCTHB-JSGCOSHPSA-N 1 0 347.419 2.742 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000791116018 1277952239 /nfs/dbraw/zinc/95/22/39/1277952239.db2.gz DGHWGGYXKNNCPG-AWEZNQCLSA-N 1 0 337.395 2.893 20 5 EFBDRO CC(C)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000791225659 1277989703 /nfs/dbraw/zinc/98/97/03/1277989703.db2.gz QHZRQSKVLYUZGN-YFHOEESVSA-N 1 0 331.416 2.846 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170347971 1279054497 /nfs/dbraw/zinc/05/44/97/1279054497.db2.gz UETKHQUSCRPPQQ-AWEZNQCLSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(C)nn2C)c([N+](=O)[O-])c1 ZINC001170347889 1279054648 /nfs/dbraw/zinc/05/46/48/1279054648.db2.gz SUWKQXHEBSNHTN-CYBMUJFWSA-N 1 0 332.404 2.708 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347946 1279055914 /nfs/dbraw/zinc/05/59/14/1279055914.db2.gz TVFNNPWLQNEXBA-ZBFHGGJFSA-N 1 0 333.432 2.705 20 5 EFBDRO CC[N@H+](CCn1cccn1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351119 1279056758 /nfs/dbraw/zinc/05/67/58/1279056758.db2.gz FMXOPPGFUVZJLP-AWEZNQCLSA-N 1 0 332.404 2.753 20 5 EFBDRO C[NH2+]Cc1c(C)nn([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170351054 1279057013 /nfs/dbraw/zinc/05/70/13/1279057013.db2.gz DRLZZSQCXMBTGM-LLVKDONJSA-N 1 0 332.404 2.940 20 5 EFBDRO Cn1ncc(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000815145141 1287347628 /nfs/dbraw/zinc/34/76/28/1287347628.db2.gz OHFWIYDIJAULCX-UHFFFAOYSA-N 1 0 341.371 2.706 20 5 EFBDRO Cc1nn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000793743533 1279859001 /nfs/dbraw/zinc/85/90/01/1279859001.db2.gz FIFBTRGDCWLCLC-HNNXBMFYSA-N 1 0 344.415 2.959 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000793744017 1279859373 /nfs/dbraw/zinc/85/93/73/1279859373.db2.gz PFXOIKLGVRCUAT-OAHLLOKOSA-N 1 0 330.388 2.651 20 5 EFBDRO Cc1nn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000793743536 1279861364 /nfs/dbraw/zinc/86/13/64/1279861364.db2.gz FIFBTRGDCWLCLC-OAHLLOKOSA-N 1 0 344.415 2.959 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000794255848 1280092834 /nfs/dbraw/zinc/09/28/34/1280092834.db2.gz DALKKCHAXBDAIK-LBPRGKRZSA-N 1 0 325.384 2.893 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846302933 1280107797 /nfs/dbraw/zinc/10/77/97/1280107797.db2.gz NBYKIIYENNNAFE-UHFFFAOYSA-N 1 0 326.784 2.759 20 5 EFBDRO C[N@@H+]1CCCN(CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804397129 1280186557 /nfs/dbraw/zinc/18/65/57/1280186557.db2.gz OFPFZYPYZBGOCJ-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001129400862 1280187464 /nfs/dbraw/zinc/18/74/64/1280187464.db2.gz LCDXEFSFDWPVOG-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COCC1CC1 ZINC000872030323 1287405631 /nfs/dbraw/zinc/40/56/31/1287405631.db2.gz CWRNYXHGPARZFA-FZMZJTMJSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COCC1CC1 ZINC000872030322 1287406074 /nfs/dbraw/zinc/40/60/74/1287406074.db2.gz CWRNYXHGPARZFA-BXUZGUMPSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCO[C@H](C)C1 ZINC000872033979 1287407046 /nfs/dbraw/zinc/40/70/46/1287407046.db2.gz KUOFGJVFCHNJRJ-OLZOCXBDSA-N 1 0 339.461 2.688 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872035188 1287407895 /nfs/dbraw/zinc/40/78/95/1287407895.db2.gz NRGYSOPCCBIREF-XHDPSFHLSA-N 1 0 328.434 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNc1cnccn1 ZINC000872042898 1287409425 /nfs/dbraw/zinc/40/94/25/1287409425.db2.gz FFDLUCFVZCUWIS-LLVKDONJSA-N 1 0 333.417 2.869 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000872040596 1287409547 /nfs/dbraw/zinc/40/95/47/1287409547.db2.gz MJFQIWXOOBYQBY-YGRLFVJLSA-N 1 0 328.459 2.835 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000872046961 1287410764 /nfs/dbraw/zinc/41/07/64/1287410764.db2.gz AFGCFJMWCFOLPM-XHDPSFHLSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000872048212 1287411695 /nfs/dbraw/zinc/41/16/95/1287411695.db2.gz HLUMMVDBFFEPJB-NWDGAFQWSA-N 1 0 337.445 2.977 20 5 EFBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872052614 1287412608 /nfs/dbraw/zinc/41/26/08/1287412608.db2.gz DLUMRWOXICFTJW-JTQLQIEISA-N 1 0 325.434 2.740 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000872051232 1287412709 /nfs/dbraw/zinc/41/27/09/1287412709.db2.gz GOFPSPXDETYKTO-YWPYICTPSA-N 1 0 339.461 2.686 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872044387 1287409837 /nfs/dbraw/zinc/40/98/37/1287409837.db2.gz UPFRYGORJZJQTN-NWDGAFQWSA-N 1 0 337.445 2.978 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846665966 1280384087 /nfs/dbraw/zinc/38/40/87/1280384087.db2.gz BDEMUGIJBPIBIY-HUUCEWRRSA-N 1 0 337.807 2.737 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846668486 1280387059 /nfs/dbraw/zinc/38/70/59/1280387059.db2.gz UPIFAKNUKKCBKG-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000846693544 1280420100 /nfs/dbraw/zinc/42/01/00/1280420100.db2.gz ILNMIVYXQPFTRP-ZWNOBZJWSA-N 1 0 325.796 2.838 20 5 EFBDRO CCc1ccccc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130147463 1280497478 /nfs/dbraw/zinc/49/74/78/1280497478.db2.gz AFWHWEKYGUGYKU-UHFFFAOYSA-N 1 0 347.440 2.667 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091490008 1280771735 /nfs/dbraw/zinc/77/17/35/1280771735.db2.gz IAJIRPVKJYTXJF-CTYIDZIISA-N 1 0 348.447 2.632 20 5 EFBDRO CCOC1CC(N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000805820027 1280798921 /nfs/dbraw/zinc/79/89/21/1280798921.db2.gz BZLXRKPFCBYCSM-UHFFFAOYSA-N 1 0 341.795 2.686 20 5 EFBDRO CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147016341 1281088319 /nfs/dbraw/zinc/08/83/19/1281088319.db2.gz WIQVGHHQMKYNOA-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)cc2)cc1 ZINC001170783639 1287471076 /nfs/dbraw/zinc/47/10/76/1287471076.db2.gz YOLZVKREMUFBQH-YVEFUNNKSA-N 1 0 345.424 2.738 20 5 EFBDRO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147106511 1281106644 /nfs/dbraw/zinc/10/66/44/1281106644.db2.gz RKUACBCGHFYUFT-WCSRMQSCSA-N 1 0 343.427 2.985 20 5 EFBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001175584452 1287475978 /nfs/dbraw/zinc/47/59/78/1287475978.db2.gz HVXVTMTTWLEJPE-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO [NH3+]CCc1cc2ccccc2n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001171302862 1281172601 /nfs/dbraw/zinc/17/26/01/1281172601.db2.gz WHCPMRGTQMWECF-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CN1Cc2cc(-n3c(CC[NH3+])cc4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001171312606 1281232278 /nfs/dbraw/zinc/23/22/78/1281232278.db2.gz PGBWDEVJJSRMMR-UHFFFAOYSA-N 1 0 337.383 2.812 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)s1 ZINC001130954384 1281332057 /nfs/dbraw/zinc/33/20/57/1281332057.db2.gz WULPDEIPDQFAOV-UHFFFAOYSA-N 1 0 339.442 2.854 20 5 EFBDRO CCc1cc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001147957799 1281376640 /nfs/dbraw/zinc/37/66/40/1281376640.db2.gz JHJLTMNZKQIBRZ-UHFFFAOYSA-N 1 0 337.401 2.640 20 5 EFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000807681126 1281388839 /nfs/dbraw/zinc/38/88/39/1281388839.db2.gz ZBQGCJMVGSYAMV-RISCZKNCSA-N 1 0 346.387 2.629 20 5 EFBDRO CCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)oc1CC ZINC001147986148 1281389752 /nfs/dbraw/zinc/38/97/52/1281389752.db2.gz FEAFRPSSGPWHCQ-UHFFFAOYSA-N 1 0 345.399 2.832 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000872252632 1287503304 /nfs/dbraw/zinc/50/33/04/1287503304.db2.gz UNPYLVBEWKTWPI-BZSNNMDCSA-N 1 0 330.384 2.730 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000808454436 1281718742 /nfs/dbraw/zinc/71/87/42/1281718742.db2.gz QABOMJWJLMQYLU-JYAXHDLFSA-N 1 0 326.352 2.692 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC2(CC2)CC1 ZINC001131421964 1281865796 /nfs/dbraw/zinc/86/57/96/1281865796.db2.gz CZFDOJNZVDYEOP-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H](O)c3ccccc3)C2)nc1 ZINC000808738149 1281889510 /nfs/dbraw/zinc/88/95/10/1281889510.db2.gz UNXMFGIRAKGBKG-RDJZCZTQSA-N 1 0 342.399 2.600 20 5 EFBDRO CCCn1nc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1C ZINC000809736171 1282409736 /nfs/dbraw/zinc/40/97/36/1282409736.db2.gz IEPABPXULQHWMB-UHFFFAOYSA-N 1 0 331.420 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000809733185 1282411506 /nfs/dbraw/zinc/41/15/06/1282411506.db2.gz QYFNUOLPEIDYCJ-PBHICJAKSA-N 1 0 328.368 2.784 20 5 EFBDRO COc1cc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000809735227 1282414475 /nfs/dbraw/zinc/41/44/75/1282414475.db2.gz WDYDBCPWFHFNOK-UHFFFAOYSA-N 1 0 345.399 2.886 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H](O)c1ccccc1)OCCO2 ZINC000809748271 1282447119 /nfs/dbraw/zinc/44/71/19/1282447119.db2.gz MVLUMCLIPYZOSR-MRXNPFEDSA-N 1 0 344.367 2.579 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000809913833 1282560150 /nfs/dbraw/zinc/56/01/50/1282560150.db2.gz SZMGQIKNLMWROG-VHSXEESVSA-N 1 0 326.784 2.852 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809915510 1282563209 /nfs/dbraw/zinc/56/32/09/1282563209.db2.gz PTKADHXYYDLHPF-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558856 1287596498 /nfs/dbraw/zinc/59/64/98/1287596498.db2.gz QBQAREICXGCXFJ-LBPRGKRZSA-N 1 0 338.371 2.609 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ccsc2[nH]1 ZINC001132096443 1282918392 /nfs/dbraw/zinc/91/83/92/1282918392.db2.gz LTNKOPHOMRCWKL-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO CN(C)S(=O)(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000810181100 1283007406 /nfs/dbraw/zinc/00/74/06/1283007406.db2.gz CNCYNEYBFGMTLO-UHFFFAOYSA-N 1 0 342.464 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCCC3)CC2)cc1 ZINC000810259609 1283076720 /nfs/dbraw/zinc/07/67/20/1283076720.db2.gz NFYSXBFYEJXSFA-GOSISDBHSA-N 1 0 333.432 2.704 20 5 EFBDRO COc1cc(N2c3ccccc3OC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001171392419 1283177447 /nfs/dbraw/zinc/17/74/47/1283177447.db2.gz DBJIQYBDAAWGGP-CYBMUJFWSA-N 1 0 329.356 2.770 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594639 1287623049 /nfs/dbraw/zinc/62/30/49/1287623049.db2.gz UYJSTYUMRWMZRK-VFZGTOFNSA-N 1 0 337.326 2.839 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596015 1287623801 /nfs/dbraw/zinc/62/38/01/1287623801.db2.gz IEVKSJTXLNDNMY-RULNZOCKSA-N 1 0 333.413 2.765 20 5 EFBDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617104 1287639558 /nfs/dbraw/zinc/63/95/58/1287639558.db2.gz FPHUXRDNHKVUIC-GFCCVEGCSA-N 1 0 339.399 2.957 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810843797 1283731001 /nfs/dbraw/zinc/73/10/01/1283731001.db2.gz GZPCYAVXQMFCRE-ZIAGYGMSSA-N 1 0 333.388 2.567 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001093648733 1284342469 /nfs/dbraw/zinc/34/24/69/1284342469.db2.gz YVGCWJRWJMXEKJ-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000811602110 1284449091 /nfs/dbraw/zinc/44/90/91/1284449091.db2.gz UDRUFYXYOAVCBF-JTQLQIEISA-N 1 0 345.802 2.775 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC001132934859 1284461819 /nfs/dbraw/zinc/46/18/19/1284461819.db2.gz CYTHLVAZNPJDOK-UHFFFAOYSA-N 1 0 335.385 2.646 20 5 EFBDRO CSC1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000811853442 1284692810 /nfs/dbraw/zinc/69/28/10/1284692810.db2.gz AUGZJVQLQLXEBA-UHFFFAOYSA-N 1 0 340.405 2.742 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811894007 1284733570 /nfs/dbraw/zinc/73/35/70/1284733570.db2.gz SRRMJFWBPXKAOT-NSHDSACASA-N 1 0 342.827 2.776 20 5 EFBDRO CC(C)n1cccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176208414 1287745974 /nfs/dbraw/zinc/74/59/74/1287745974.db2.gz ZEDUMXUSWOBIIM-UHFFFAOYSA-N 1 0 344.415 2.887 20 5 EFBDRO COc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170679943 1285234833 /nfs/dbraw/zinc/23/48/33/1285234833.db2.gz NBIVTACMSFYMLT-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001171844128 1285851204 /nfs/dbraw/zinc/85/12/04/1285851204.db2.gz CMSYDAWSYVIMLE-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813448018 1285911743 /nfs/dbraw/zinc/91/17/43/1285911743.db2.gz PGLZQGOZYINEAB-SECBINFHSA-N 1 0 346.214 2.973 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813424351 1285919516 /nfs/dbraw/zinc/91/95/16/1285919516.db2.gz VRBAQKFEPJHQSV-VIFPVBQESA-N 1 0 344.198 2.868 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1C1CCC1 ZINC001133827815 1285995432 /nfs/dbraw/zinc/99/54/32/1285995432.db2.gz QCRMESVZCGTFPK-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813630057 1286016915 /nfs/dbraw/zinc/01/69/15/1286016915.db2.gz GUTGPCTZTBJRMP-LBPRGKRZSA-N 1 0 334.376 2.814 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000753026038 1289056985 /nfs/dbraw/zinc/05/69/85/1289056985.db2.gz WZSRVJMEZPSTSP-GFCCVEGCSA-N 1 0 325.384 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1ccncc1)CC2 ZINC001172902949 1286307528 /nfs/dbraw/zinc/30/75/28/1286307528.db2.gz NJBKVWIXLYDHIZ-WMZOPIPTSA-N 1 0 327.384 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCC(F)(F)C1)CC2 ZINC001172904282 1286308665 /nfs/dbraw/zinc/30/86/65/1286308665.db2.gz WJOLKCJKTDYCTC-OAHLLOKOSA-N 1 0 339.386 2.773 20 5 EFBDRO O=C1COC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172904861 1286308724 /nfs/dbraw/zinc/30/87/24/1286308724.db2.gz OUFRMZXBNRZBDQ-INIZCTEOSA-N 1 0 344.411 2.666 20 5 EFBDRO COC(=O)N1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905601 1286309939 /nfs/dbraw/zinc/30/99/39/1286309939.db2.gz SPGLMFPJLBOAIG-INIZCTEOSA-N 1 0 347.415 2.616 20 5 EFBDRO O=C1OCCC12CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172921388 1286328768 /nfs/dbraw/zinc/32/87/68/1286328768.db2.gz PRBOSXNFCPCDKW-INIZCTEOSA-N 1 0 344.411 2.871 20 5 EFBDRO CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912207 1286353762 /nfs/dbraw/zinc/35/37/62/1286353762.db2.gz JSBKDPPAFXYIRP-IEBWSBKVSA-N 1 0 345.443 2.785 20 5 EFBDRO CC(C)OCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007592 1286381825 /nfs/dbraw/zinc/38/18/25/1286381825.db2.gz UDFLBVSEQMBAJJ-UHFFFAOYSA-N 1 0 343.374 2.856 20 5 EFBDRO CO[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009933 1286381833 /nfs/dbraw/zinc/38/18/33/1286381833.db2.gz KGFZZKOUYLQJPA-CYBMUJFWSA-N 1 0 341.358 2.563 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3C[C@@H](F)C3)CC2)c(F)c1 ZINC001173011090 1286382765 /nfs/dbraw/zinc/38/27/65/1286382765.db2.gz QSUZOTANEARCRM-JGZJWPJOSA-N 1 0 329.322 2.932 20 5 EFBDRO CC[N@H+](CCOC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014121 1286382913 /nfs/dbraw/zinc/38/29/13/1286382913.db2.gz LLDIBSKHMRNPRU-UHFFFAOYSA-N 1 0 343.374 2.810 20 5 EFBDRO CC(C)(O)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011389 1286383242 /nfs/dbraw/zinc/38/32/42/1286383242.db2.gz CFOKAWZOSWXPKB-UHFFFAOYSA-N 1 0 343.374 2.592 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)c2ccccc2)c1F ZINC001173175019 1286450979 /nfs/dbraw/zinc/45/09/79/1286450979.db2.gz IRCLFTZKKXJWAY-IUODEOHRSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1F ZINC001173175555 1286451320 /nfs/dbraw/zinc/45/13/20/1286451320.db2.gz PHCSLCSISZEJML-MLGOLLRUSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCn2ccnc2)c1F ZINC001173174841 1286451327 /nfs/dbraw/zinc/45/13/27/1286451327.db2.gz DNPPWCYXGOJSTD-GFCCVEGCSA-N 1 0 336.367 2.550 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cccnc2)c1F ZINC001173175305 1286451592 /nfs/dbraw/zinc/45/15/92/1286451592.db2.gz MWOSVRQWWCEPTC-GFCCVEGCSA-N 1 0 333.363 2.901 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cccnc2)c1F ZINC001173175307 1286451658 /nfs/dbraw/zinc/45/16/58/1286451658.db2.gz MWOSVRQWWCEPTC-LBPRGKRZSA-N 1 0 333.363 2.901 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncs2)c1F ZINC001173177230 1286452395 /nfs/dbraw/zinc/45/23/95/1286452395.db2.gz RWRAQFQTVIBHML-SECBINFHSA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccncc2)c1F ZINC001173175788 1286452505 /nfs/dbraw/zinc/45/25/05/1286452505.db2.gz SPLYKFUMRVDQQX-GFCCVEGCSA-N 1 0 333.363 2.901 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2nccs2)c1F ZINC001173175946 1286452699 /nfs/dbraw/zinc/45/26/99/1286452699.db2.gz VYFUCPSSWFCGNE-JTQLQIEISA-N 1 0 339.392 2.962 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H](O)CC[C@H]2C)c1F ZINC001173179013 1286453213 /nfs/dbraw/zinc/45/32/13/1286453213.db2.gz CZDPQQYCHKCENC-UTUOFQBUSA-N 1 0 326.368 2.519 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nccnc2C)c1F ZINC001173179135 1286453582 /nfs/dbraw/zinc/45/35/82/1286453582.db2.gz JUCFNRHHBARYQX-SNVBAGLBSA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cn1 ZINC001173178809 1286453999 /nfs/dbraw/zinc/45/39/99/1286453999.db2.gz MKOJQXLWXHJIKF-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO CCn1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173180063 1286454691 /nfs/dbraw/zinc/45/46/91/1286454691.db2.gz SNWZLOITUNHPPR-NSHDSACASA-N 1 0 336.367 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1F ZINC001173180354 1286454917 /nfs/dbraw/zinc/45/49/17/1286454917.db2.gz KASYYCPQYZLNCL-UPJWGTAASA-N 1 0 338.379 2.642 20 5 EFBDRO CCOC(=O)C[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180407 1286455082 /nfs/dbraw/zinc/45/50/82/1286455082.db2.gz VZLYEUMGMGRYRO-MNOVXSKESA-N 1 0 342.367 2.605 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CN(C(C)(C)C)C2)c1F ZINC001173180186 1286455346 /nfs/dbraw/zinc/45/53/46/1286455346.db2.gz PPTWNDNMZMOJAJ-NSHDSACASA-N 1 0 339.411 2.746 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ccnc2CCC[NH3+])c1F ZINC001173183699 1286456002 /nfs/dbraw/zinc/45/60/02/1286456002.db2.gz IQYXCVIYWUXURD-NSHDSACASA-N 1 0 336.367 2.634 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C)C[C@H]2C)c1F ZINC001173184105 1286456102 /nfs/dbraw/zinc/45/61/02/1286456102.db2.gz LJMHHXKNGLWBHU-DYEKYZERSA-N 1 0 339.411 2.603 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)c1F ZINC001173183145 1286456429 /nfs/dbraw/zinc/45/64/29/1286456429.db2.gz LIVRTBSCVRXMQC-XQQFMLRXSA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2CO)c1F ZINC001173190370 1286457612 /nfs/dbraw/zinc/45/76/12/1286457612.db2.gz WKRBQSMHEFCCOO-LBPRGKRZSA-N 1 0 348.374 2.956 20 5 EFBDRO CCC[NH+]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173190544 1286458128 /nfs/dbraw/zinc/45/81/28/1286458128.db2.gz VMAUFMFNAZLADX-CYBMUJFWSA-N 1 0 339.411 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncccc2O)c1F ZINC001173190656 1286458277 /nfs/dbraw/zinc/45/82/77/1286458277.db2.gz FYUIYIRFWCLWBH-SNVBAGLBSA-N 1 0 335.335 2.564 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)C(C)(C)C)c1F ZINC001173189997 1286458320 /nfs/dbraw/zinc/45/83/20/1286458320.db2.gz SYHIPQROAGQGGR-HZMBPMFUSA-N 1 0 328.384 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccnc(C)n2)c1F ZINC001173190147 1286458335 /nfs/dbraw/zinc/45/83/35/1286458335.db2.gz ULHBXDRSMFUJDH-SNVBAGLBSA-N 1 0 334.351 2.562 20 5 EFBDRO CCN(CCC[NH+](C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193069 1286458772 /nfs/dbraw/zinc/45/87/72/1286458772.db2.gz PBZDWIBDXAPIKO-ZDUSSCGKSA-N 1 0 341.427 2.947 20 5 EFBDRO CC[N@H+](CCC(=O)OC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193318 1286459003 /nfs/dbraw/zinc/45/90/03/1286459003.db2.gz QZZLGWAPGYHFLN-LLVKDONJSA-N 1 0 342.367 2.559 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822717477 1289076001 /nfs/dbraw/zinc/07/60/01/1289076001.db2.gz ZTHSLDBLLOREJU-OKILXGFUSA-N 1 0 327.469 2.695 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215856 1286470260 /nfs/dbraw/zinc/47/02/60/1286470260.db2.gz AOFRQFQOVXFTDJ-ACJLOTCBSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1cccc(F)c1 ZINC001173220005 1286474242 /nfs/dbraw/zinc/47/42/42/1286474242.db2.gz RHDYZRGAIUCHLU-CXAGYDPISA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001173221985 1286474786 /nfs/dbraw/zinc/47/47/86/1286474786.db2.gz ROIIJBGHQOTTPY-MAUKXSAKSA-N 1 0 347.459 2.616 20 5 EFBDRO O=C(CCCC(F)(F)F)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134230145 1286477128 /nfs/dbraw/zinc/47/71/28/1286477128.db2.gz RPZXPTUAHYFKBO-UHFFFAOYSA-N 1 0 339.339 2.595 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC001173224797 1286478751 /nfs/dbraw/zinc/47/87/51/1286478751.db2.gz PAKFMOYGZHQSSA-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001173226334 1286480795 /nfs/dbraw/zinc/48/07/95/1286480795.db2.gz ILVYGOLMOFDQCC-VUKOWNLVSA-N 1 0 346.427 2.652 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC001173228576 1286481828 /nfs/dbraw/zinc/48/18/28/1286481828.db2.gz XSLGPKVLSAUWNP-INIZCTEOSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001173228050 1286481994 /nfs/dbraw/zinc/48/19/94/1286481994.db2.gz WLPVQKNJICFECQ-HNNXBMFYSA-N 1 0 329.444 2.944 20 5 EFBDRO COc1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173227445 1286482197 /nfs/dbraw/zinc/48/21/97/1286482197.db2.gz FTSNFCYQPJZUIC-UGSOOPFHSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001173229039 1286482245 /nfs/dbraw/zinc/48/22/45/1286482245.db2.gz UTWNHVFRLIAPMP-ASFAAARLSA-N 1 0 343.427 2.613 20 5 EFBDRO COCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC001173227655 1286482288 /nfs/dbraw/zinc/48/22/88/1286482288.db2.gz RXIUTVVJPZFQKJ-OAHLLOKOSA-N 1 0 335.448 2.568 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001173230893 1286483321 /nfs/dbraw/zinc/48/33/21/1286483321.db2.gz WAOAZNALVPZDLJ-CJNGLKHVSA-N 1 0 329.400 2.673 20 5 EFBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234147 1286484073 /nfs/dbraw/zinc/48/40/73/1286484073.db2.gz NSWYFJHLSWOKDG-WMLDXEAASA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nncn2C)CC1 ZINC001173235007 1286484198 /nfs/dbraw/zinc/48/41/98/1286484198.db2.gz VNVQAQNOAFEMTL-CYBMUJFWSA-N 1 0 329.404 2.534 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001173235009 1286484486 /nfs/dbraw/zinc/48/44/86/1286484486.db2.gz VPCWCCNKYSVIJW-BNOWGMLFSA-N 1 0 326.343 2.739 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233215 1286484499 /nfs/dbraw/zinc/48/44/99/1286484499.db2.gz JOPCXHNTSYZXIB-NZPIUUIZSA-N 1 0 330.306 2.930 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccn2)C1 ZINC001173233222 1286484689 /nfs/dbraw/zinc/48/46/89/1286484689.db2.gz JRGSQCNUOLERAJ-KSSFIOAISA-N 1 0 327.384 2.994 20 5 EFBDRO COC(=O)c1csc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173211641 1286485164 /nfs/dbraw/zinc/48/51/64/1286485164.db2.gz UQMFWBCXFAJPJV-JTQLQIEISA-N 1 0 335.385 2.559 20 5 EFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209778 1286485450 /nfs/dbraw/zinc/48/54/50/1286485450.db2.gz FYSGRZWEFOYIJB-ZDUSSCGKSA-N 1 0 325.372 2.667 20 5 EFBDRO COC(=O)c1csc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173211647 1286485593 /nfs/dbraw/zinc/48/55/93/1286485593.db2.gz UQMFWBCXFAJPJV-SNVBAGLBSA-N 1 0 335.385 2.559 20 5 EFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209731 1286485625 /nfs/dbraw/zinc/48/56/25/1286485625.db2.gz DZFUXOUWAGVZEQ-CXAGYDPISA-N 1 0 345.399 2.643 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001173212625 1286486848 /nfs/dbraw/zinc/48/68/48/1286486848.db2.gz BRRAEGBOVWPYNM-BBRMVZONSA-N 1 0 328.368 2.955 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001173238321 1286496002 /nfs/dbraw/zinc/49/60/02/1286496002.db2.gz PHWBACCWTURABT-WBMJQRKESA-N 1 0 346.362 2.608 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173238423 1286496536 /nfs/dbraw/zinc/49/65/36/1286496536.db2.gz SBOUTSCOVJDGGX-ZDUSSCGKSA-N 1 0 327.384 2.988 20 5 EFBDRO CC(C)(CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[N+](=O)[O-] ZINC000822702219 1289086154 /nfs/dbraw/zinc/08/61/54/1289086154.db2.gz SHXIWQBHVHPPHD-UHFFFAOYSA-N 1 0 339.480 2.937 20 5 EFBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095235830 1286724107 /nfs/dbraw/zinc/72/41/07/1286724107.db2.gz MPRSKPJDSBZARU-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095261658 1286799238 /nfs/dbraw/zinc/79/92/38/1286799238.db2.gz GBRPUVCNYYOIDY-UHFFFAOYSA-N 1 0 348.447 2.586 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001176262313 1287934659 /nfs/dbraw/zinc/93/46/59/1287934659.db2.gz SLOLAJRBNODIFT-UHFFFAOYSA-N 1 0 337.445 2.999 20 5 EFBDRO COc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001176361151 1287965155 /nfs/dbraw/zinc/96/51/55/1287965155.db2.gz QAESEISFQBDSEW-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO CCN1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000817124821 1288427044 /nfs/dbraw/zinc/42/70/44/1288427044.db2.gz JKPANYSLGXMPET-UHFFFAOYSA-N 1 0 332.448 2.591 20 5 EFBDRO Cc1cccc(F)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177459027 1288427961 /nfs/dbraw/zinc/42/79/61/1288427961.db2.gz PQRGVNJXUITZSH-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000817125696 1288428255 /nfs/dbraw/zinc/42/82/55/1288428255.db2.gz UOXOYGLYLIJIDF-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO Cc1cccc(F)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177458736 1288428271 /nfs/dbraw/zinc/42/82/71/1288428271.db2.gz FMTYVBXYVKRODJ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000817373203 1288565374 /nfs/dbraw/zinc/56/53/74/1288565374.db2.gz MCOVJZZWBBSRNK-GFCCVEGCSA-N 1 0 337.811 2.581 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000817496783 1288636375 /nfs/dbraw/zinc/63/63/75/1288636375.db2.gz VOUILPCTINULMC-LLVKDONJSA-N 1 0 325.796 2.723 20 5 EFBDRO O=C(NCCCCCC[NH2+]C/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458603 1288792399 /nfs/dbraw/zinc/79/23/99/1288792399.db2.gz NRZFSQKOFYRWFM-GCGULEOZSA-N 1 0 345.443 2.631 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821781883 1288795405 /nfs/dbraw/zinc/79/54/05/1288795405.db2.gz OWUOOBSFQMGUDC-DJIMGWMZSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821781886 1288795418 /nfs/dbraw/zinc/79/54/18/1288795418.db2.gz OWUOOBSFQMGUDC-PVAVHDDUSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000821848786 1288809301 /nfs/dbraw/zinc/80/93/01/1288809301.db2.gz YDMVWDBXCJGPNK-IAOVAPTHSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000821848789 1288809396 /nfs/dbraw/zinc/80/93/96/1288809396.db2.gz YDMVWDBXCJGPNK-XKQJLSEDSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903441614 1312686488 /nfs/dbraw/zinc/68/64/88/1312686488.db2.gz ALHVHPOBLKDVEL-LIXBPZJASA-N 1 0 330.359 2.913 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000822438923 1288986466 /nfs/dbraw/zinc/98/64/66/1288986466.db2.gz ZWKZINUQXNLEPO-XHDPSFHLSA-N 1 0 337.807 2.723 20 5 EFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)CCO)c4ccccc43)oc-2c1 ZINC001179576580 1289181434 /nfs/dbraw/zinc/18/14/34/1289181434.db2.gz NERIXIBTQADFNN-UHFFFAOYSA-N 1 0 333.347 2.886 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(c4ccccc4)CC[NH2+]C3)n2)o1 ZINC000823270003 1289256542 /nfs/dbraw/zinc/25/65/42/1289256542.db2.gz MXELUSKCXZXWRZ-INIZCTEOSA-N 1 0 326.312 2.517 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824003324 1289498603 /nfs/dbraw/zinc/49/86/03/1289498603.db2.gz XLZVIRFLFWSJFZ-GFCCVEGCSA-N 1 0 349.435 2.809 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003218 1289498733 /nfs/dbraw/zinc/49/87/33/1289498733.db2.gz SXHCCTIEMDINDB-XQQFMLRXSA-N 1 0 349.435 2.665 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823980481 1289505281 /nfs/dbraw/zinc/50/52/81/1289505281.db2.gz NMEMARYYVJXDRI-YPMHNXCESA-N 1 0 335.408 2.514 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000873047291 1289539026 /nfs/dbraw/zinc/53/90/26/1289539026.db2.gz YAAVHMNUZIYSBJ-UHFFFAOYSA-N 1 0 347.459 2.946 20 5 EFBDRO Cc1c(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873049014 1289539881 /nfs/dbraw/zinc/53/98/81/1289539881.db2.gz VSRUFTASJSALPQ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000873049683 1289540451 /nfs/dbraw/zinc/54/04/51/1289540451.db2.gz DOBHMXCPNXINGB-CABCVRRESA-N 1 0 333.432 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000873049689 1289540720 /nfs/dbraw/zinc/54/07/20/1289540720.db2.gz DOBHMXCPNXINGB-LSDHHAIUSA-N 1 0 333.432 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000873056664 1289543347 /nfs/dbraw/zinc/54/33/47/1289543347.db2.gz PPNULAGSMDLHKD-MRXNPFEDSA-N 1 0 347.459 2.802 20 5 EFBDRO Cc1c(C[NH2+]C2CCN(CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873070660 1289552602 /nfs/dbraw/zinc/55/26/02/1289552602.db2.gz URWAWXPQGNMRJK-UHFFFAOYSA-N 1 0 335.448 2.882 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000873114743 1289574104 /nfs/dbraw/zinc/57/41/04/1289574104.db2.gz SJXLUDCLUXKZTD-HNNXBMFYSA-N 1 0 335.448 2.802 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000873114744 1289574835 /nfs/dbraw/zinc/57/48/35/1289574835.db2.gz SJXLUDCLUXKZTD-OAHLLOKOSA-N 1 0 335.448 2.802 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873120786 1289578099 /nfs/dbraw/zinc/57/80/99/1289578099.db2.gz AAHVNEIWKGYRNZ-DOTOQJQBSA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000873122103 1289579453 /nfs/dbraw/zinc/57/94/53/1289579453.db2.gz OARLEVJWGLSTPB-CRAIPNDOSA-N 1 0 348.443 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000873122104 1289580047 /nfs/dbraw/zinc/58/00/47/1289580047.db2.gz OARLEVJWGLSTPB-MAUKXSAKSA-N 1 0 348.443 2.869 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000873129905 1289585605 /nfs/dbraw/zinc/58/56/05/1289585605.db2.gz SWTBOVZNBFZODX-WMLDXEAASA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000873129903 1289585994 /nfs/dbraw/zinc/58/59/94/1289585994.db2.gz SWTBOVZNBFZODX-PBHICJAKSA-N 1 0 330.388 2.647 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000825668747 1289659019 /nfs/dbraw/zinc/65/90/19/1289659019.db2.gz WRSAVEXQMAYWIN-HNNXBMFYSA-N 1 0 349.431 2.667 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873298439 1289711326 /nfs/dbraw/zinc/71/13/26/1289711326.db2.gz PEAXJHXLVSSMHD-HNNXBMFYSA-N 1 0 340.383 2.739 20 5 EFBDRO Cc1c(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000873299063 1289712246 /nfs/dbraw/zinc/71/22/46/1289712246.db2.gz IMCPKAQWRVZYHC-HNNXBMFYSA-N 1 0 340.383 2.739 20 5 EFBDRO Nc1ccc2n(C(=O)[C@@H]3C[NH+]4CCC3CC4)c3ccccc3cc-2c1=O ZINC001182009539 1290058088 /nfs/dbraw/zinc/05/80/88/1290058088.db2.gz BXNQXWSMBOYBMB-MRXNPFEDSA-N 1 0 347.418 2.671 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182010396 1290058795 /nfs/dbraw/zinc/05/87/95/1290058795.db2.gz BXCIWVVGPIBFPA-ZDUSSCGKSA-N 1 0 347.422 2.646 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110265877 1290134270 /nfs/dbraw/zinc/13/42/70/1290134270.db2.gz CIANRTAFKRRYBE-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110265913 1290134664 /nfs/dbraw/zinc/13/46/64/1290134664.db2.gz CUUCVIHUCYNIHH-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000825731647 1290266451 /nfs/dbraw/zinc/26/64/51/1290266451.db2.gz JUXVHENEJJGARK-AWEZNQCLSA-N 1 0 335.379 2.824 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825808208 1290628283 /nfs/dbraw/zinc/62/82/83/1290628283.db2.gz REGJPJFTBKABRQ-LSDHHAIUSA-N 1 0 349.431 2.985 20 5 EFBDRO COc1nc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166650004 1312811513 /nfs/dbraw/zinc/81/15/13/1312811513.db2.gz OYYNTALNWSFUTC-LBPRGKRZSA-N 1 0 339.355 2.762 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CCO)C2CC2)cc1Br ZINC000877058739 1291120786 /nfs/dbraw/zinc/12/07/86/1291120786.db2.gz FWDLLCZJUCGEAC-SNVBAGLBSA-N 1 0 335.223 2.669 20 5 EFBDRO CC(C)(O)C[NH+]1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000877087432 1291131289 /nfs/dbraw/zinc/13/12/89/1291131289.db2.gz LTAXFHYTUZXZOO-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1cnccn1 ZINC000877132087 1291140003 /nfs/dbraw/zinc/14/00/03/1291140003.db2.gz UGFKNGVAHUBAID-UHFFFAOYSA-N 1 0 326.278 2.736 20 5 EFBDRO C[C@@H]1CCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877153166 1291149124 /nfs/dbraw/zinc/14/91/24/1291149124.db2.gz FSOHBQNQEPPZIG-SECBINFHSA-N 1 0 348.266 2.993 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000877179686 1291155726 /nfs/dbraw/zinc/15/57/26/1291155726.db2.gz HCJAIHWDDDDFFJ-HOMQSWHASA-N 1 0 343.786 2.564 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000877398840 1291224262 /nfs/dbraw/zinc/22/42/62/1291224262.db2.gz HWVOKPLQUYDAMZ-UHFFFAOYSA-N 1 0 334.416 2.983 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000877430398 1291229896 /nfs/dbraw/zinc/22/98/96/1291229896.db2.gz HOCGKRJQHOGGPQ-UHFFFAOYSA-N 1 0 329.404 2.715 20 5 EFBDRO CN(C)c1ccc(F)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000877482884 1291244564 /nfs/dbraw/zinc/24/45/64/1291244564.db2.gz INAPFUCYYDCODZ-UHFFFAOYSA-N 1 0 347.394 2.834 20 5 EFBDRO CC(F)(F)C1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001166838650 1312851460 /nfs/dbraw/zinc/85/14/60/1312851460.db2.gz LONHDVAWQHEALN-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CC[C@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000877832575 1291400606 /nfs/dbraw/zinc/40/06/06/1291400606.db2.gz NSMJNPSUTTTYFH-NIKGAXFTSA-N 1 0 344.411 2.773 20 5 EFBDRO COCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000877966204 1291430884 /nfs/dbraw/zinc/43/08/84/1291430884.db2.gz CNWTVVWSZXFPHP-UHFFFAOYSA-N 1 0 334.376 2.749 20 5 EFBDRO CCCCN(CCOC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878091497 1291490047 /nfs/dbraw/zinc/49/00/47/1291490047.db2.gz FLQFQZFXNIBJJV-UHFFFAOYSA-N 1 0 334.376 2.893 20 5 EFBDRO CN1CCC2(CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1=O ZINC000775204124 1291498345 /nfs/dbraw/zinc/49/83/45/1291498345.db2.gz NYCURYULIWJCRD-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000878291892 1291605717 /nfs/dbraw/zinc/60/57/17/1291605717.db2.gz RDFGJBDSPBOFKC-CHWSQXEVSA-N 1 0 344.371 2.503 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795929189 1291669463 /nfs/dbraw/zinc/66/94/63/1291669463.db2.gz XCOGFUOQYFYVOF-UHFFFAOYSA-N 1 0 336.388 2.626 20 5 EFBDRO Cc1ccc(-c2ccc(N3CC[C@@H]([NH3+])C(F)(F)C3)nn2)cc1[N+](=O)[O-] ZINC001166959018 1312872148 /nfs/dbraw/zinc/87/21/48/1312872148.db2.gz PDJAMYSQGYHOTN-CQSZACIVSA-N 1 0 349.341 2.533 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000957547734 1291742101 /nfs/dbraw/zinc/74/21/01/1291742101.db2.gz NSMQQPGEPUKMMS-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO O=[N+]([O-])c1c(NCc2ccccc2C2CC2)ncnc1C1C[NH2+]C1 ZINC001167011986 1312880829 /nfs/dbraw/zinc/88/08/29/1312880829.db2.gz IRULEXUUVVZPGH-UHFFFAOYSA-N 1 0 325.372 2.561 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114798001 1292006422 /nfs/dbraw/zinc/00/64/22/1292006422.db2.gz KFZZJTYGLXIKFR-HDJSIYSDSA-N 1 0 348.447 2.632 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529889 1292174204 /nfs/dbraw/zinc/17/42/04/1292174204.db2.gz ZEHJUVNSSKYDNH-OKILXGFUSA-N 1 0 345.399 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000775405724 1292274226 /nfs/dbraw/zinc/27/42/26/1292274226.db2.gz DDQIFCOYQJPDAR-KFWWJZLASA-N 1 0 340.470 2.943 20 5 EFBDRO CCNC(=O)OC[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000796171777 1292284454 /nfs/dbraw/zinc/28/44/54/1292284454.db2.gz NFZYHIQJRJBXHW-LBPRGKRZSA-N 1 0 339.367 2.835 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775418530 1292357169 /nfs/dbraw/zinc/35/71/69/1292357169.db2.gz DTSCILLJNMYXKN-KBXCAEBGSA-N 1 0 333.432 2.968 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](CF)C1 ZINC000880295149 1292439529 /nfs/dbraw/zinc/43/95/29/1292439529.db2.gz PLRXSRVFDAJCGR-UWVGGRQHSA-N 1 0 329.759 2.867 20 5 EFBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc([N+](=O)[O-])nc3)nc2)CC1 ZINC001203570127 1312958815 /nfs/dbraw/zinc/95/88/15/1312958815.db2.gz SZHIPTOYXKNVNK-UHFFFAOYSA-N 1 0 329.360 2.601 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(F)c([N+](=O)[O-])cc3F)O2)CC1 ZINC001233597422 1312964492 /nfs/dbraw/zinc/96/44/92/1312964492.db2.gz LXZDQYVFJWZYOY-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000881810113 1293014980 /nfs/dbraw/zinc/01/49/80/1293014980.db2.gz ABYZHVQFCPXQIV-SJORKVTESA-N 1 0 344.415 2.526 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000775554687 1293093525 /nfs/dbraw/zinc/09/35/25/1293093525.db2.gz ZEXFKXCGAVAFSE-HNNXBMFYSA-N 1 0 342.351 2.636 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc2ccc(Br)cc2n1 ZINC001233715254 1312977483 /nfs/dbraw/zinc/97/74/83/1312977483.db2.gz NWCBOEIMFWFLGP-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(F)c([N+](=O)[O-])c(F)c3)O2)CC1 ZINC001233749258 1312983963 /nfs/dbraw/zinc/98/39/63/1312983963.db2.gz DRPNYLSUGPWBRJ-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC001233752265 1312983972 /nfs/dbraw/zinc/98/39/72/1312983972.db2.gz CEHYFZBNCKHSOP-HAQNSBGRSA-N 1 0 342.342 2.895 20 5 EFBDRO CC(=O)c1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726200 1293298515 /nfs/dbraw/zinc/29/85/15/1293298515.db2.gz MTHVIDVLXBPIOF-OAHLLOKOSA-N 1 0 347.415 2.535 20 5 EFBDRO C[N@H+](CCCNC(=O)CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233843016 1313002787 /nfs/dbraw/zinc/00/27/87/1313002787.db2.gz FOUDMQJCVUFYKT-UHFFFAOYSA-N 1 0 345.399 2.759 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000130636271 1293412172 /nfs/dbraw/zinc/41/21/72/1293412172.db2.gz BGGSSKSJMYBLMG-MFKMUULPSA-N 1 0 336.344 2.504 20 5 EFBDRO CCc1ccsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152127419 1293572334 /nfs/dbraw/zinc/57/23/34/1293572334.db2.gz VOWDIRJFZJXALG-UHFFFAOYSA-N 1 0 333.413 2.738 20 5 EFBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000883451677 1293598539 /nfs/dbraw/zinc/59/85/39/1293598539.db2.gz VEJHXKTXZRZUDV-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c2ncccc12 ZINC001233901878 1313014471 /nfs/dbraw/zinc/01/44/71/1313014471.db2.gz OQHZUBGAQJFABX-CQSZACIVSA-N 1 0 344.327 2.524 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233903018 1313015150 /nfs/dbraw/zinc/01/51/50/1313015150.db2.gz ZQHZYMIXOPJBLR-LLVKDONJSA-N 1 0 346.343 2.913 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000884004245 1293866553 /nfs/dbraw/zinc/86/65/53/1293866553.db2.gz NPFISTIJKKQNGI-LLVKDONJSA-N 1 0 326.397 2.505 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000800136467 1293929060 /nfs/dbraw/zinc/92/90/60/1293929060.db2.gz QFODAHGLLDKIGE-UHFFFAOYSA-N 1 0 346.387 2.669 20 5 EFBDRO O=C(OCCC[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000800195490 1293951534 /nfs/dbraw/zinc/95/15/34/1293951534.db2.gz JMXKYBDZFDKCOW-UHFFFAOYSA-N 1 0 328.315 2.716 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC001234059996 1313048365 /nfs/dbraw/zinc/04/83/65/1313048365.db2.gz NEJCWTIEJHEDCC-UHFFFAOYSA-N 1 0 326.368 2.922 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1C ZINC000884292319 1294084462 /nfs/dbraw/zinc/08/44/62/1294084462.db2.gz WHUIXKAQBWYPLG-UHFFFAOYSA-N 1 0 341.367 2.946 20 5 EFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967348 1294596359 /nfs/dbraw/zinc/59/63/59/1294596359.db2.gz MNISESHJEOZXQO-ZFWWWQNUSA-N 1 0 334.420 2.507 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035160 1294637980 /nfs/dbraw/zinc/63/79/80/1294637980.db2.gz KQWFCSUBUAWIOM-KRWDZBQOSA-N 1 0 326.400 2.696 20 5 EFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136869100 1294691632 /nfs/dbraw/zinc/69/16/32/1294691632.db2.gz PHGQQOWLKXGADH-QGZVFWFLSA-N 1 0 330.384 2.947 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136921359 1294693731 /nfs/dbraw/zinc/69/37/31/1294693731.db2.gz UYWYMPMICMCCPK-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccccc1OCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136979713 1294694272 /nfs/dbraw/zinc/69/42/72/1294694272.db2.gz LZFDPNVVXFVGEF-MRXNPFEDSA-N 1 0 346.383 2.648 20 5 EFBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000886234215 1294777613 /nfs/dbraw/zinc/77/76/13/1294777613.db2.gz JFGPKVRMWYJBDG-MRXNPFEDSA-N 1 0 340.427 2.944 20 5 EFBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000886247243 1294786423 /nfs/dbraw/zinc/78/64/23/1294786423.db2.gz LFEMBGSWBVAIRC-HNNXBMFYSA-N 1 0 326.400 2.696 20 5 EFBDRO CC1(C)C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903717258 1313111381 /nfs/dbraw/zinc/11/13/81/1313111381.db2.gz LLLDBSZAYTZQLJ-UHFFFAOYSA-N 1 0 328.210 2.541 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903718026 1313111934 /nfs/dbraw/zinc/11/19/34/1313111934.db2.gz YAQXOMVNMCKSFE-ZDUSSCGKSA-N 1 0 330.226 2.820 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H](CO)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000886669668 1295096886 /nfs/dbraw/zinc/09/68/86/1295096886.db2.gz BYMKFMKCCGYMCN-QEORTHHSSA-N 1 0 334.416 2.837 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(Br)nccc2n1 ZINC001234438744 1313128373 /nfs/dbraw/zinc/12/83/73/1313128373.db2.gz WJBWFVUFRAJSQL-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO CCOC(=O)C[C@@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000775892062 1295260373 /nfs/dbraw/zinc/26/03/73/1295260373.db2.gz QFNJPXHIFJACDD-DOTOQJQBSA-N 1 0 338.404 2.586 20 5 EFBDRO C/C(=C/C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001234530814 1313148483 /nfs/dbraw/zinc/14/84/83/1313148483.db2.gz ZTABEHGAPSEADD-OWBHPGMISA-N 1 0 331.416 2.889 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903748115 1313158953 /nfs/dbraw/zinc/15/89/53/1313158953.db2.gz YVHSVJNVIWROHU-VHSXEESVSA-N 1 0 328.210 2.540 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903748983 1313160161 /nfs/dbraw/zinc/16/01/61/1313160161.db2.gz FDNHSERUPMYLRV-IINYFYTJSA-N 1 0 340.221 2.541 20 5 EFBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000903751256 1313162389 /nfs/dbraw/zinc/16/23/89/1313162389.db2.gz HJQZVUBFUOZAPS-NXEZZACHSA-N 1 0 328.210 2.540 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000776004101 1295633124 /nfs/dbraw/zinc/63/31/24/1295633124.db2.gz ZAMJCLHCHNCEFH-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903768220 1313181047 /nfs/dbraw/zinc/18/10/47/1313181047.db2.gz MCQFGHQHPYMSLC-NXEZZACHSA-N 1 0 328.210 2.669 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C1 ZINC001234709477 1313184870 /nfs/dbraw/zinc/18/48/70/1313184870.db2.gz ATOHBESLPVIIKL-ZDUSSCGKSA-N 1 0 333.391 2.912 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829188 1295838760 /nfs/dbraw/zinc/83/87/60/1295838760.db2.gz IOULPNDSALTNAT-UHFFFAOYSA-N 1 0 342.399 2.823 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C1 ZINC001234710473 1313185618 /nfs/dbraw/zinc/18/56/18/1313185618.db2.gz JDEPZPIDNKEANQ-CYBMUJFWSA-N 1 0 333.391 2.912 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743572 1313187745 /nfs/dbraw/zinc/18/77/45/1313187745.db2.gz DIGZNFFGYKUITP-CYBMUJFWSA-N 1 0 341.363 2.830 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234746191 1313187756 /nfs/dbraw/zinc/18/77/56/1313187756.db2.gz BUIYFWVLBGNIGL-LLVKDONJSA-O 1 0 344.387 2.831 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877550 1313202233 /nfs/dbraw/zinc/20/22/33/1313202233.db2.gz OFMSQUNQHOFIJJ-JTQLQIEISA-N 1 0 345.193 2.926 20 5 EFBDRO C[NH+]1CCC(Oc2c(O)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234881650 1313202961 /nfs/dbraw/zinc/20/29/61/1313202961.db2.gz RMPQPJVEASRXAU-UHFFFAOYSA-N 1 0 331.166 2.536 20 5 EFBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903782231 1313203252 /nfs/dbraw/zinc/20/32/52/1313203252.db2.gz HSXXZTJIXZFSFS-RYUDHWBXSA-N 1 0 328.210 2.573 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903782229 1313203927 /nfs/dbraw/zinc/20/39/27/1313203927.db2.gz HSXXZTJIXZFSFS-NEPJUHHUSA-N 1 0 328.210 2.573 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903821576 1313251749 /nfs/dbraw/zinc/25/17/49/1313251749.db2.gz MTHKZPCQBADPQS-SJLPKXTDSA-N 1 0 327.384 2.708 20 5 EFBDRO COc1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000007355410 1296441527 /nfs/dbraw/zinc/44/15/27/1296441527.db2.gz BYEDUTQLMJHMQR-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO Cc1ncc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001235276880 1313279863 /nfs/dbraw/zinc/27/98/63/1313279863.db2.gz NDUZQHNQQMOQFG-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO C[NH+]1CCN(c2cccc(F)c2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001201229216 1296636268 /nfs/dbraw/zinc/63/62/68/1296636268.db2.gz HWYRBTDDFINYKD-UHFFFAOYSA-N 1 0 346.362 2.935 20 5 EFBDRO C[NH+]1CCN(Cc2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001201222418 1296669698 /nfs/dbraw/zinc/66/96/98/1296669698.db2.gz OIMIXQKSEOUXDJ-UHFFFAOYSA-N 1 0 342.399 2.791 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000925235337 1296813198 /nfs/dbraw/zinc/81/31/98/1296813198.db2.gz SOYBBPQCKWGJHW-XPKDYRNWSA-N 1 0 332.404 2.534 20 5 EFBDRO CCC[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000776207624 1297052252 /nfs/dbraw/zinc/05/22/52/1297052252.db2.gz RSGBLKASOYNRDC-QGZVFWFLSA-N 1 0 343.431 2.735 20 5 EFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932047145 1297393445 /nfs/dbraw/zinc/39/34/45/1297393445.db2.gz WLGROKDADLUJDP-DLBZAZTESA-N 1 0 331.416 2.689 20 5 EFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932047146 1297393563 /nfs/dbraw/zinc/39/35/63/1297393563.db2.gz WLGROKDADLUJDP-IAGOWNOFSA-N 1 0 331.416 2.689 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934192757 1297545303 /nfs/dbraw/zinc/54/53/03/1297545303.db2.gz AKGRTXQPHBUWTC-FSDCSDTHSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000780746751 1298497405 /nfs/dbraw/zinc/49/74/05/1298497405.db2.gz VQVPCWYXPDMSNI-UHFFFAOYSA-N 1 0 341.358 2.535 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000851833086 1299423067 /nfs/dbraw/zinc/42/30/67/1299423067.db2.gz FWSKCWRAIJUFCT-WMLDXEAASA-N 1 0 331.372 2.979 20 5 EFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851885860 1299450850 /nfs/dbraw/zinc/45/08/50/1299450850.db2.gz MRJCZAUYRYVZJP-WBVHZDCISA-N 1 0 348.378 2.556 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851952748 1299482168 /nfs/dbraw/zinc/48/21/68/1299482168.db2.gz PQAIMLWQWDFLQO-LLVKDONJSA-N 1 0 339.367 2.690 20 5 EFBDRO Cc1noc(CN(C)CCCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000852176048 1299578766 /nfs/dbraw/zinc/57/87/66/1299578766.db2.gz QUKXQXJYFSCYFV-UHFFFAOYSA-N 1 0 342.396 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000776578248 1299614643 /nfs/dbraw/zinc/61/46/43/1299614643.db2.gz DYOROAGYYMROGM-SFHVURJKSA-N 1 0 333.432 2.579 20 5 EFBDRO COCC[N@H+](CCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577915 1299616647 /nfs/dbraw/zinc/61/66/47/1299616647.db2.gz AUMZQBCJKQPMOD-IBGZPJMESA-N 1 0 344.411 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776580336 1299626704 /nfs/dbraw/zinc/62/67/04/1299626704.db2.gz WYKADBPUNPQBIH-ROUUACIJSA-N 1 0 346.358 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000776585990 1299651358 /nfs/dbraw/zinc/65/13/58/1299651358.db2.gz GMUOICBOLGMQMR-BRWVUGGUSA-N 1 0 346.383 2.809 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000776586071 1299651785 /nfs/dbraw/zinc/65/17/85/1299651785.db2.gz ITXONDLUJACUBL-SFHVURJKSA-N 1 0 330.384 2.513 20 5 EFBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585833 1299653595 /nfs/dbraw/zinc/65/35/95/1299653595.db2.gz AILLNFVTVVTJGO-KRWDZBQOSA-N 1 0 334.372 2.678 20 5 EFBDRO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000776594221 1299693112 /nfs/dbraw/zinc/69/31/12/1299693112.db2.gz ZCFNKSLAPFCKHK-MOPGFXCFSA-N 1 0 341.411 2.617 20 5 EFBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000852444090 1299706032 /nfs/dbraw/zinc/70/60/32/1299706032.db2.gz SFTVHPKPWCSCDU-ROUUACIJSA-N 1 0 346.383 2.614 20 5 EFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776601931 1299730976 /nfs/dbraw/zinc/73/09/76/1299730976.db2.gz NNCXOUJNBYZCSK-HZPDHXFCSA-N 1 0 330.388 2.805 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000852593345 1299774680 /nfs/dbraw/zinc/77/46/80/1299774680.db2.gz FHWVELXVYOOMAX-ZWKOTPCHSA-N 1 0 334.416 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000776606711 1299778103 /nfs/dbraw/zinc/77/81/03/1299778103.db2.gz ZXQFGDAJLWLQLB-RVKKMQEKSA-N 1 0 334.416 2.767 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000776605811 1299793734 /nfs/dbraw/zinc/79/37/34/1299793734.db2.gz OPIYATLBOOBAAK-MSOLQXFVSA-N 1 0 330.384 2.732 20 5 EFBDRO COc1ccc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000776605498 1299795353 /nfs/dbraw/zinc/79/53/53/1299795353.db2.gz LNOLCEHBFCFFKR-QGZVFWFLSA-N 1 0 328.368 2.916 20 5 EFBDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852814355 1299897965 /nfs/dbraw/zinc/89/79/65/1299897965.db2.gz JZQHCXWOEQLYOS-NSHDSACASA-N 1 0 327.812 2.876 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C(F)(F)F ZINC000853241465 1300062804 /nfs/dbraw/zinc/06/28/04/1300062804.db2.gz KBKIKTXLEVBQCC-NEPJUHHUSA-N 1 0 345.321 2.889 20 5 EFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CCCC1 ZINC000853492432 1300135444 /nfs/dbraw/zinc/13/54/44/1300135444.db2.gz QCFPAMIOZRJIEG-UHFFFAOYSA-N 1 0 345.403 2.702 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000853810704 1300287231 /nfs/dbraw/zinc/28/72/31/1300287231.db2.gz FTKMBZPNDLELQY-UHFFFAOYSA-N 1 0 341.415 2.896 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)cc1Cl ZINC000795253515 1300421953 /nfs/dbraw/zinc/42/19/53/1300421953.db2.gz UHKPXOMLSSQIJO-UHFFFAOYSA-N 1 0 339.779 2.709 20 5 EFBDRO O=[N+]([O-])c1ccccc1Cc1noc(-c2cc3c(s2)CC[NH2+]C3)n1 ZINC000854133817 1300441048 /nfs/dbraw/zinc/44/10/48/1300441048.db2.gz AVRCCARJFSNCMN-UHFFFAOYSA-N 1 0 342.380 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000776768229 1300757950 /nfs/dbraw/zinc/75/79/50/1300757950.db2.gz HEQGNNPCPMEJGE-INIZCTEOSA-N 1 0 330.388 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]3C3CCOCC3)c2c1 ZINC000776778317 1300778766 /nfs/dbraw/zinc/77/87/66/1300778766.db2.gz SABHRZLCSMAIEH-MRXNPFEDSA-N 1 0 330.388 2.793 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000855158697 1300819714 /nfs/dbraw/zinc/81/97/14/1300819714.db2.gz HNPUOZXUKIFYTN-RZIFZGNASA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000855158698 1300820146 /nfs/dbraw/zinc/82/01/46/1300820146.db2.gz HNPUOZXUKIFYTN-WUKHSURWSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855287667 1300888470 /nfs/dbraw/zinc/88/84/70/1300888470.db2.gz RKMVDNXDDSFCJQ-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855288043 1300893641 /nfs/dbraw/zinc/89/36/41/1300893641.db2.gz FZTMGFWHAXTKGB-SNVBAGLBSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000855289810 1300893674 /nfs/dbraw/zinc/89/36/74/1300893674.db2.gz VGZVMWURUDNFCS-LBPRGKRZSA-N 1 0 341.358 2.676 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2)C1CC1 ZINC000963457710 1300895817 /nfs/dbraw/zinc/89/58/17/1300895817.db2.gz XQMZERWYIDLWAS-UHFFFAOYSA-N 1 0 329.400 2.522 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000776809311 1300932605 /nfs/dbraw/zinc/93/26/05/1300932605.db2.gz RVFCOGFXOYKLFC-ZFWWWQNUSA-N 1 0 335.404 2.941 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000776809310 1300933421 /nfs/dbraw/zinc/93/34/21/1300933421.db2.gz RVFCOGFXOYKLFC-UKRRQHHQSA-N 1 0 335.404 2.941 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000855810404 1301127502 /nfs/dbraw/zinc/12/75/02/1301127502.db2.gz YFHBAMLGEVHKEK-ZDUSSCGKSA-N 1 0 346.431 2.622 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790933 1301317512 /nfs/dbraw/zinc/31/75/12/1301317512.db2.gz NMLNFFAUCUCUQF-UOAXPGHYSA-N 1 0 349.475 2.639 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796468579 1302066451 /nfs/dbraw/zinc/06/64/51/1302066451.db2.gz YRYUVWWBPWFRFT-GOSISDBHSA-N 1 0 335.448 2.826 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097050565 1313823014 /nfs/dbraw/zinc/82/30/14/1313823014.db2.gz KLPWGULJPKTDJN-SHTZXODSSA-N 1 0 348.447 2.694 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000861834266 1302216058 /nfs/dbraw/zinc/21/60/58/1302216058.db2.gz OZFFHVKPXJMANH-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH+](C)CC1 ZINC000861895083 1302237889 /nfs/dbraw/zinc/23/78/89/1302237889.db2.gz QKPHQVINDSSTKY-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000794600237 1302836168 /nfs/dbraw/zinc/83/61/68/1302836168.db2.gz MBKOABQSHHEMJJ-CYBMUJFWSA-N 1 0 343.811 2.837 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794606296 1302842775 /nfs/dbraw/zinc/84/27/75/1302842775.db2.gz PVTBYVUOQONGAL-FHWLQOOXSA-N 1 0 344.411 2.976 20 5 EFBDRO C[C@@]1(O)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000794672552 1302912124 /nfs/dbraw/zinc/91/21/24/1302912124.db2.gz NTFBLQXVFWYWBI-QGZVFWFLSA-N 1 0 330.388 2.653 20 5 EFBDRO CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794682565 1302924451 /nfs/dbraw/zinc/92/44/51/1302924451.db2.gz AOGZTGSYGFWPSB-GFCCVEGCSA-N 1 0 331.372 2.659 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000864618584 1303001067 /nfs/dbraw/zinc/00/10/67/1303001067.db2.gz LSQVDAGZCVBVQA-JGPRNRPPSA-N 1 0 338.795 2.900 20 5 EFBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+](CC1CC1)CC1CCC1 ZINC000794714226 1303038516 /nfs/dbraw/zinc/03/85/16/1303038516.db2.gz KKMRRAJCOQAWFC-UHFFFAOYSA-N 1 0 343.383 2.660 20 5 EFBDRO CC1(C)CC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC(C)(C)[NH2+]1 ZINC000865426397 1303249686 /nfs/dbraw/zinc/24/96/86/1303249686.db2.gz NPSSBFXYZWJDNU-UHFFFAOYSA-N 1 0 325.384 2.947 20 5 EFBDRO CC[NH+]1CCN(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865438066 1303257009 /nfs/dbraw/zinc/25/70/09/1303257009.db2.gz YQIHGRSYQLSHAS-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865453144 1303264949 /nfs/dbraw/zinc/26/49/49/1303264949.db2.gz AHTPZGCIIKTMRX-UHFFFAOYSA-N 1 0 325.384 2.901 20 5 EFBDRO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+]1CCCCC1 ZINC000865454659 1303265373 /nfs/dbraw/zinc/26/53/73/1303265373.db2.gz GITKNIYUSMHDBD-GFCCVEGCSA-N 1 0 325.384 2.760 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865462665 1303268286 /nfs/dbraw/zinc/26/82/86/1303268286.db2.gz OWWZFCVXOSIUEC-RYUDHWBXSA-N 1 0 325.384 2.759 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865480491 1303279428 /nfs/dbraw/zinc/27/94/28/1303279428.db2.gz NRVJLUYUMIOTOE-GFCCVEGCSA-N 1 0 325.384 2.759 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)N1CC[NH+](C)CC1 ZINC000865503570 1303286499 /nfs/dbraw/zinc/28/64/99/1303286499.db2.gz UMHVAHVPEYZUDR-NSHDSACASA-N 1 0 328.363 2.580 20 5 EFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865581405 1303318965 /nfs/dbraw/zinc/31/89/65/1303318965.db2.gz SXOQFNPRSALFRQ-UHFFFAOYSA-N 1 0 343.359 2.796 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865841109 1303424511 /nfs/dbraw/zinc/42/45/11/1303424511.db2.gz RZTDBYKVRVYCJP-CQSZACIVSA-N 1 0 337.395 2.657 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000865992827 1303479806 /nfs/dbraw/zinc/47/98/06/1303479806.db2.gz MTNWCTRGXGEBHL-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866089628 1303521417 /nfs/dbraw/zinc/52/14/17/1303521417.db2.gz OJEZZBHGOUVHIS-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866115089 1303530993 /nfs/dbraw/zinc/53/09/93/1303530993.db2.gz OLNMUPQOYKBQHO-CQSZACIVSA-N 1 0 337.395 2.609 20 5 EFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866234379 1303574996 /nfs/dbraw/zinc/57/49/96/1303574996.db2.gz YVVCSDIXJIFEQZ-ZDUSSCGKSA-N 1 0 339.411 2.903 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000866250887 1303580498 /nfs/dbraw/zinc/58/04/98/1303580498.db2.gz JVEHMNPVIHMASX-GXFFZTMASA-N 1 0 349.328 2.891 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCCC1=O ZINC000866261207 1303584598 /nfs/dbraw/zinc/58/45/98/1303584598.db2.gz OXNFMSMBMOLOTO-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccco1 ZINC000866288629 1303590644 /nfs/dbraw/zinc/59/06/44/1303590644.db2.gz ZFQVURFDIOMUJZ-CHWSQXEVSA-N 1 0 336.363 2.699 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000866380877 1303618005 /nfs/dbraw/zinc/61/80/05/1303618005.db2.gz LUAFLQLKUUMANT-SMDDNHRTSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000866397982 1303622939 /nfs/dbraw/zinc/62/29/39/1303622939.db2.gz LDLGURWTHHFTNW-ZBEGNZNMSA-N 1 0 343.358 2.818 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121194287 1303754863 /nfs/dbraw/zinc/75/48/63/1303754863.db2.gz VMCZXBOFQQSJPD-CQSZACIVSA-N 1 0 332.404 2.959 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941843 1304030517 /nfs/dbraw/zinc/03/05/17/1304030517.db2.gz KHVVIHWIWTTYQT-WMZOPIPTSA-N 1 0 343.358 2.712 20 5 EFBDRO Cc1cccc(C)c1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944165 1304032241 /nfs/dbraw/zinc/03/22/41/1304032241.db2.gz QJJDYPXXVLLFKK-SFHVURJKSA-N 1 0 327.384 2.702 20 5 EFBDRO CC(C)(CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000867944473 1304032763 /nfs/dbraw/zinc/03/27/63/1304032763.db2.gz VWUDYBDLMUCGRY-QGZVFWFLSA-N 1 0 347.440 2.924 20 5 EFBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948661 1304036633 /nfs/dbraw/zinc/03/66/33/1304036633.db2.gz AUBSYUCRWVRPAV-YVEFUNNKSA-N 1 0 347.440 2.825 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948202 1304036969 /nfs/dbraw/zinc/03/69/69/1304036969.db2.gz ZTRJALVUZRGDBV-PKOBYXMFSA-N 1 0 339.395 2.881 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948531 1304037256 /nfs/dbraw/zinc/03/72/56/1304037256.db2.gz YGKSOJFJKDHZHL-LZLYRXPVSA-N 1 0 331.416 2.854 20 5 EFBDRO CCc1ccccc1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951751 1304039492 /nfs/dbraw/zinc/03/94/92/1304039492.db2.gz NFYNTBKGXKAKHF-GOSISDBHSA-N 1 0 327.384 2.648 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867957116 1304044306 /nfs/dbraw/zinc/04/43/06/1304044306.db2.gz BQUYPTKLCSJJOU-GOSISDBHSA-N 1 0 339.395 2.617 20 5 EFBDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867965262 1304048828 /nfs/dbraw/zinc/04/88/28/1304048828.db2.gz ABUXLXMEYCVQLF-ACJLOTCBSA-N 1 0 327.384 2.955 20 5 EFBDRO C[C@H]1c2ccccc2C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984344 1304058316 /nfs/dbraw/zinc/05/83/16/1304058316.db2.gz KFUCRNHDOROKAD-OEPMTFCVSA-N 1 0 339.395 2.613 20 5 EFBDRO C[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000867985465 1304058883 /nfs/dbraw/zinc/05/88/83/1304058883.db2.gz DVNYGZKGXZEPHK-IEJFNREZSA-N 1 0 337.395 2.802 20 5 EFBDRO C[C@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000867985467 1304058943 /nfs/dbraw/zinc/05/89/43/1304058943.db2.gz DVNYGZKGXZEPHK-OUZPVCTJSA-N 1 0 337.395 2.802 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868007083 1304073440 /nfs/dbraw/zinc/07/34/40/1304073440.db2.gz IRDSJKZXXBISKN-LLVKDONJSA-N 1 0 337.445 2.825 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000868015817 1304078471 /nfs/dbraw/zinc/07/84/71/1304078471.db2.gz FTHXWGJZJWTLFX-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000868074932 1304111556 /nfs/dbraw/zinc/11/15/56/1304111556.db2.gz UGBGHSGMBLZCPT-SFHVURJKSA-N 1 0 341.367 2.950 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868152263 1304157498 /nfs/dbraw/zinc/15/74/98/1304157498.db2.gz RZDJAEOXPBBKBV-BTTYYORXSA-N 1 0 332.404 2.864 20 5 EFBDRO Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000868164896 1304165524 /nfs/dbraw/zinc/16/55/24/1304165524.db2.gz QMXZWWFLOQOPMY-UHFFFAOYSA-N 1 0 340.383 2.871 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868468417 1304309544 /nfs/dbraw/zinc/30/95/44/1304309544.db2.gz VXQWQKTXMATBSV-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000868529290 1304341290 /nfs/dbraw/zinc/34/12/90/1304341290.db2.gz KKVJJDMHUBHLEC-ZDUSSCGKSA-N 1 0 349.406 2.609 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869817459 1304987747 /nfs/dbraw/zinc/98/77/47/1304987747.db2.gz PDFAVVUSWKZWFJ-UHFFFAOYSA-N 1 0 337.379 2.553 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795135500 1305423041 /nfs/dbraw/zinc/42/30/41/1305423041.db2.gz IOLWTZPQMGJAND-SWLSCSKDSA-N 1 0 334.445 2.850 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870961113 1305713321 /nfs/dbraw/zinc/71/33/21/1305713321.db2.gz ZFDKUOKDOOIQJF-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1ccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000870961127 1305713522 /nfs/dbraw/zinc/71/35/22/1305713522.db2.gz ZTKRXKOOMPNXJR-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(CC[NH+]1CCC(F)(F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000796540884 1306206686 /nfs/dbraw/zinc/20/66/86/1306206686.db2.gz YYEVPSNVOZXPAR-UHFFFAOYSA-N 1 0 331.294 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000748816231 1314135621 /nfs/dbraw/zinc/13/56/21/1314135621.db2.gz WNSNNFPMWYEYLB-CQSZACIVSA-N 1 0 336.775 2.778 20 5 EFBDRO Cc1nc(O[C@H]2CCC[NH2+]C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001217989112 1315129441 /nfs/dbraw/zinc/12/94/41/1315129441.db2.gz PWFBQTCGUCIPPQ-UFBFGSQYSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218016121 1315134462 /nfs/dbraw/zinc/13/44/62/1315134462.db2.gz CBFRTZNLFOUGKY-VXGBXAGGSA-N 1 0 333.157 2.826 20 5 EFBDRO CC1(NC(=O)c2ccco2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045343904 1307258966 /nfs/dbraw/zinc/25/89/66/1307258966.db2.gz HGNIUDYWQPDXJK-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900306827 1307930247 /nfs/dbraw/zinc/93/02/47/1307930247.db2.gz BBSAHXSBFJNPEH-VIFPVBQESA-N 1 0 341.770 2.601 20 5 EFBDRO CC(C)[NH+](Cc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000900525867 1308259374 /nfs/dbraw/zinc/25/93/74/1308259374.db2.gz VXIRPFQGPZECQH-UHFFFAOYSA-N 1 0 347.419 2.884 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000900552021 1308299406 /nfs/dbraw/zinc/29/94/06/1308299406.db2.gz CHHBTMWWMVHMRM-UHFFFAOYSA-N 1 0 329.759 2.601 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900686092 1308528885 /nfs/dbraw/zinc/52/88/85/1308528885.db2.gz DMYDOGBDWQDKJQ-UHFFFAOYSA-N 1 0 343.786 2.801 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900889183 1308834565 /nfs/dbraw/zinc/83/45/65/1308834565.db2.gz DXJJPJIQTWAJNI-JTQLQIEISA-N 1 0 343.786 2.801 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000900998272 1309145805 /nfs/dbraw/zinc/14/58/05/1309145805.db2.gz YKITZAWDPMBBCF-WCBMZHEXSA-N 1 0 341.770 2.742 20 5 EFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2nonc21)Cc1ccc(F)cc1 ZINC000749102043 1314298311 /nfs/dbraw/zinc/29/83/11/1314298311.db2.gz JGGDFJYMKIPHKZ-UHFFFAOYSA-N 1 0 345.334 2.814 20 5 EFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccn(C)n1 ZINC001210352902 1314317704 /nfs/dbraw/zinc/31/77/04/1314317704.db2.gz DFQFVVGHJHIPDM-UHFFFAOYSA-N 1 0 333.395 2.978 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801571478 1310542515 /nfs/dbraw/zinc/54/25/15/1310542515.db2.gz ZLJYOHUHUCWERO-OAHLLOKOSA-N 1 0 328.368 2.957 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000801599713 1310580033 /nfs/dbraw/zinc/58/00/33/1310580033.db2.gz AIAYWYYILKXMTF-UHFFFAOYSA-N 1 0 349.431 2.936 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875700 1311042955 /nfs/dbraw/zinc/04/29/55/1311042955.db2.gz ZWHGYHXZICNXIV-UHFFFAOYSA-N 1 0 334.372 2.521 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000751304011 1311116670 /nfs/dbraw/zinc/11/66/70/1311116670.db2.gz PIVLYPDDNIABKT-OAHLLOKOSA-N 1 0 345.374 2.637 20 5 EFBDRO C/C=C(\C)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222756143 1311180289 /nfs/dbraw/zinc/18/02/89/1311180289.db2.gz KQVLEQMCUPLZJZ-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001222773481 1311182115 /nfs/dbraw/zinc/18/21/15/1311182115.db2.gz JVKOIGWZCPPAEI-CLLJXQQHSA-N 1 0 334.372 2.523 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CC[NH+](C(C)C)CC1 ZINC001222773566 1311182144 /nfs/dbraw/zinc/18/21/44/1311182144.db2.gz LKJDWZATNNNPBS-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1c(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001223292887 1311239054 /nfs/dbraw/zinc/23/90/54/1311239054.db2.gz CJORRQPIBUMGMJ-BTTYYORXSA-N 1 0 334.372 2.523 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3C)C[C@H]1[N@@H+]2C ZINC001223330424 1311245724 /nfs/dbraw/zinc/24/57/24/1311245724.db2.gz PHYCPAGHFYGUDM-CWLKWCNXSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)c1ccc(CO[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223415342 1311258127 /nfs/dbraw/zinc/25/81/27/1311258127.db2.gz ZLSYZNJNRQUGCT-OAHLLOKOSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CC[NH+](C2CC2)CC1 ZINC001223449118 1311262280 /nfs/dbraw/zinc/26/22/80/1311262280.db2.gz XETPYHWFLWGYMB-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO COCCC[NH+]1CCC(OCc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001223517119 1311271229 /nfs/dbraw/zinc/27/12/29/1311271229.db2.gz JTIYDGCYLUDCOS-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3cccc(C)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001223665154 1311288917 /nfs/dbraw/zinc/28/89/17/1311288917.db2.gz OXUALENWRASVQJ-NXOAAHMSSA-N 1 0 348.399 2.587 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001223966491 1311326439 /nfs/dbraw/zinc/32/64/39/1311326439.db2.gz KBXFJYLFJGAOCC-HNNXBMFYSA-N 1 0 336.388 2.772 20 5 EFBDRO O=C(CCCF)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001224105189 1311342606 /nfs/dbraw/zinc/34/26/06/1311342606.db2.gz CTYMLENSTKNPST-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](OCCC[N+](C)(C)C)C(F)(F)C1 ZINC001224618845 1311414139 /nfs/dbraw/zinc/41/41/39/1311414139.db2.gz IWBLVBGIFLUFGU-ZDUSSCGKSA-N 1 0 337.431 2.744 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](OCCC[N+](C)(C)C)[C@@H]2C1 ZINC001224620726 1311414749 /nfs/dbraw/zinc/41/47/49/1311414749.db2.gz BXTQUMPJINSNCE-XHSDSOJGSA-N 1 0 327.489 2.745 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc(C)n1 ZINC001158927334 1311418013 /nfs/dbraw/zinc/41/80/13/1311418013.db2.gz IAEPBTTZNFCZRU-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CC(C)Oc1ncc(Br)cc1COCC[N+](C)(C)C ZINC001224774642 1311433129 /nfs/dbraw/zinc/43/31/29/1311433129.db2.gz VVAOUUWCLVMGOR-UHFFFAOYSA-N 1 0 332.262 2.854 20 5 EFBDRO CC(C)(OCC[N+](C)(C)C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001224776039 1311433204 /nfs/dbraw/zinc/43/32/04/1311433204.db2.gz RMPLOQNVXCUMGX-INIZCTEOSA-N 1 0 332.420 2.598 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC2(C1)CCC[NH2+]C2 ZINC001159019009 1311434380 /nfs/dbraw/zinc/43/43/80/1311434380.db2.gz ABOUTAAKTGBCCX-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO COc1cnc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c([N+](=O)[O-])c1 ZINC001159031048 1311437257 /nfs/dbraw/zinc/43/72/57/1311437257.db2.gz FSNUVFZYCJTRNT-UHFFFAOYSA-N 1 0 340.383 2.597 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCCCOc1ccccc1 ZINC001224934669 1311451969 /nfs/dbraw/zinc/45/19/69/1311451969.db2.gz DGDYZHJIELEZRD-QGZVFWFLSA-N 1 0 338.468 2.626 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2occc2[nH]1 ZINC001159129835 1311456718 /nfs/dbraw/zinc/45/67/18/1311456718.db2.gz YAPKBEYCCSYCTB-UHFFFAOYSA-N 1 0 342.355 2.579 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Nc2ccccc2)c1 ZINC001225233755 1311493228 /nfs/dbraw/zinc/49/32/28/1311493228.db2.gz NTIMHHCMEVYKOD-QGZVFWFLSA-N 1 0 329.420 2.793 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3c(Cl)nccc3[N+](=O)[O-])O2)CC1 ZINC001225433408 1311522969 /nfs/dbraw/zinc/52/29/69/1311522969.db2.gz OZCRPQGAJQLMIG-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159499505 1311527662 /nfs/dbraw/zinc/52/76/62/1311527662.db2.gz ANLMGNIVUKBSFX-ABAIWWIYSA-N 1 0 346.362 2.585 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001159538263 1311536061 /nfs/dbraw/zinc/53/60/61/1311536061.db2.gz TXISGUKPMLOSPS-NWDGAFQWSA-N 1 0 331.351 2.873 20 5 EFBDRO Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(C)c1 ZINC001159633094 1311556368 /nfs/dbraw/zinc/55/63/68/1311556368.db2.gz QBIWNMGXFMDELX-LBPRGKRZSA-N 1 0 327.388 2.862 20 5 EFBDRO COc1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159637890 1311557118 /nfs/dbraw/zinc/55/71/18/1311557118.db2.gz XQYVLPMUGOUUGJ-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO Cc1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001225658274 1311560868 /nfs/dbraw/zinc/56/08/68/1311560868.db2.gz DEUHVKBGSFCGKE-MRXNPFEDSA-N 1 0 343.383 2.578 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664259 1311562085 /nfs/dbraw/zinc/56/20/85/1311562085.db2.gz LREMJSGUJGTDQX-WFASDCNBSA-N 1 0 329.356 2.595 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225748550 1311572278 /nfs/dbraw/zinc/57/22/78/1311572278.db2.gz UOXGAUQUKIUZNE-VIFPVBQESA-N 1 0 332.198 2.861 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225894125 1311587170 /nfs/dbraw/zinc/58/71/70/1311587170.db2.gz DHLKUMDSTPZSTM-MSRIBSCDSA-N 1 0 339.323 2.751 20 5 EFBDRO COc1ccc(Nc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159812649 1311588749 /nfs/dbraw/zinc/58/87/49/1311588749.db2.gz COCDHLQMRDKEHW-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226081129 1311611412 /nfs/dbraw/zinc/61/14/12/1311611412.db2.gz CSBKAFMWGNXMEU-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO COc1ncc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159950055 1311614979 /nfs/dbraw/zinc/61/49/79/1311614979.db2.gz UWSWGOCDSZOPLD-HNNXBMFYSA-N 1 0 344.371 2.873 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ncc(Cl)cc3[N+](=O)[O-])O2)CC1 ZINC001226129367 1311616828 /nfs/dbraw/zinc/61/68/28/1311616828.db2.gz CUXOJOMRJBUGOO-GFCCVEGCSA-N 1 0 341.795 2.665 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])c(C)n3)c2c1 ZINC001160010699 1311627796 /nfs/dbraw/zinc/62/77/96/1311627796.db2.gz CCQNIZWBGIIYPK-NSHDSACASA-N 1 0 325.372 2.835 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c(C)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001160010742 1311627963 /nfs/dbraw/zinc/62/79/63/1311627963.db2.gz KWDHLCTZBPQXDE-LBPRGKRZSA-N 1 0 340.383 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001160012231 1311628267 /nfs/dbraw/zinc/62/82/67/1311628267.db2.gz MYXSPIAFVJCOBG-UHFFFAOYSA-N 1 0 328.372 2.762 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c(N)n3)c2c1 ZINC001160012799 1311628400 /nfs/dbraw/zinc/62/84/00/1311628400.db2.gz SMUPCZBCKJDXEW-NSHDSACASA-N 1 0 325.372 2.714 20 5 EFBDRO COc1ncnc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001160012802 1311628410 /nfs/dbraw/zinc/62/84/10/1311628410.db2.gz SPHRWRFDXUWFMH-LLVKDONJSA-N 1 0 341.371 2.535 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1 ZINC001160046721 1311635179 /nfs/dbraw/zinc/63/51/79/1311635179.db2.gz XLICMRNYSRKZGR-UHFFFAOYSA-N 1 0 332.335 2.593 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2[nH]c3ccccc3c21 ZINC001226258246 1311638299 /nfs/dbraw/zinc/63/82/99/1311638299.db2.gz SCMCYMAPTNDYNP-CYBMUJFWSA-N 1 0 327.404 2.684 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001160109237 1311645936 /nfs/dbraw/zinc/64/59/36/1311645936.db2.gz FDFQYWXJQSUAIA-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160113648 1311646082 /nfs/dbraw/zinc/64/60/82/1311646082.db2.gz APZVPSOMFIKPTJ-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@H]3CCCC[NH2+]3)nn2)ccc1F ZINC001160151408 1311655957 /nfs/dbraw/zinc/65/59/57/1311655957.db2.gz SUMMPECRWYYCFR-GFCCVEGCSA-N 1 0 331.351 2.745 20 5 EFBDRO CN1CCO[C@H](COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385696 1311659829 /nfs/dbraw/zinc/65/98/29/1311659829.db2.gz JIUWCFRDUVEZMA-INIZCTEOSA-N 1 0 328.368 2.971 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])n1 ZINC001160201077 1311663655 /nfs/dbraw/zinc/66/36/55/1311663655.db2.gz UOIOAOILNKAMGH-SNVBAGLBSA-N 1 0 334.763 2.809 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4ccccc34)[C@H]1CC(=O)C2 ZINC001226508964 1311679099 /nfs/dbraw/zinc/67/90/99/1311679099.db2.gz IKXAGMKPRPXGPX-LSKLOWJMSA-N 1 0 326.352 2.931 20 5 EFBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2ccc(Cl)cc12 ZINC001226516153 1311680879 /nfs/dbraw/zinc/68/08/79/1311680879.db2.gz YAKWIKRICJEKHK-CYBMUJFWSA-N 1 0 337.827 2.559 20 5 EFBDRO Cc1ccc(-c2ccc(Nc3ccc(C[NH3+])nc3)nn2)cc1[N+](=O)[O-] ZINC001160401856 1311703385 /nfs/dbraw/zinc/70/33/85/1311703385.db2.gz BZJOPKXBWAKOKY-UHFFFAOYSA-N 1 0 336.355 2.958 20 5 EFBDRO O=C(CCC1CC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226673211 1311705708 /nfs/dbraw/zinc/70/57/08/1311705708.db2.gz HQMDVFZOUPENLD-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226729195 1311714694 /nfs/dbraw/zinc/71/46/94/1311714694.db2.gz BPBXFQUTZKGHTR-CZUORRHYSA-N 1 0 328.372 2.674 20 5 EFBDRO O=C(/C=C/C1CC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226777519 1311721723 /nfs/dbraw/zinc/72/17/23/1311721723.db2.gz CYAYUWVZPNMRHV-VMPITWQZSA-N 1 0 329.400 2.642 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001226808076 1311726721 /nfs/dbraw/zinc/72/67/21/1311726721.db2.gz SDOMUACYPATPHP-CULMDFNYSA-N 1 0 346.362 2.786 20 5 EFBDRO COC(=O)c1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226900832 1311738369 /nfs/dbraw/zinc/73/83/69/1311738369.db2.gz ZYIVMHXBGJHTJA-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226969374 1311747967 /nfs/dbraw/zinc/74/79/67/1311747967.db2.gz NSJFNNMKAARAAO-LLVKDONJSA-N 1 0 334.294 2.713 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2oc3ccccc3c2c1 ZINC001227079089 1311759677 /nfs/dbraw/zinc/75/96/77/1311759677.db2.gz RCKLGEJDGSYSJX-CYBMUJFWSA-N 1 0 328.388 2.949 20 5 EFBDRO C[NH+]1C(C)(C)CC(Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC001227109526 1311763374 /nfs/dbraw/zinc/76/33/74/1311763374.db2.gz ZSRBDIVYMWAAML-UHFFFAOYSA-N 1 0 338.364 2.928 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1Cl ZINC001160737102 1311771684 /nfs/dbraw/zinc/77/16/84/1311771684.db2.gz OEMNNTBDUQGOBQ-YUMQZZPRSA-N 1 0 338.717 2.904 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001227184966 1311773595 /nfs/dbraw/zinc/77/35/95/1311773595.db2.gz MDPGEHGBTFEDPB-CTYIDZIISA-N 1 0 336.388 2.626 20 5 EFBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223058 1311779148 /nfs/dbraw/zinc/77/91/48/1311779148.db2.gz BSCPNCAVLRIQGT-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO COCCC[NH+]1CCC(Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227236439 1311780875 /nfs/dbraw/zinc/78/08/75/1311780875.db2.gz UJRGQCMDTLWESB-UHFFFAOYSA-N 1 0 335.360 2.616 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001160786413 1311780925 /nfs/dbraw/zinc/78/09/25/1311780925.db2.gz WSVRLXAMMQTBCZ-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227256940 1311783912 /nfs/dbraw/zinc/78/39/12/1311783912.db2.gz OAEBANPOOKNODE-SECBINFHSA-N 1 0 332.198 2.861 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Br)nc1[N+](=O)[O-])C2 ZINC001227256094 1311784098 /nfs/dbraw/zinc/78/40/98/1311784098.db2.gz BPUMEJVPGCPMJL-MYJAWHEDSA-N 1 0 342.193 2.756 20 5 EFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902485038 1311788294 /nfs/dbraw/zinc/78/82/94/1311788294.db2.gz YIBGPWRZQOLCTM-WBVHZDCISA-N 1 0 343.431 2.540 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001227297662 1311790425 /nfs/dbraw/zinc/79/04/25/1311790425.db2.gz WOLDADUADIQSPP-BTTYYORXSA-N 1 0 334.372 2.776 20 5 EFBDRO CCOC(=O)c1ccc(OC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001227297758 1311790648 /nfs/dbraw/zinc/79/06/48/1311790648.db2.gz ZPCHWWFYTNCYLI-UHFFFAOYSA-N 1 0 334.372 2.777 20 5 EFBDRO [NH3+]Cc1cc2ccncc2n1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160962136 1311822533 /nfs/dbraw/zinc/82/25/33/1311822533.db2.gz JJFAXZCERGPDAR-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cccc1I ZINC001227634370 1311834122 /nfs/dbraw/zinc/83/41/22/1311834122.db2.gz SGFDSZQJRVNNDS-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO C[NH+]1C(C)(C)CC(Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1(C)C ZINC001227691397 1311839941 /nfs/dbraw/zinc/83/99/41/1311839941.db2.gz NQXMXQJEQNENNV-UHFFFAOYSA-N 1 0 333.392 2.896 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c2[nH]cnc21 ZINC001227692660 1311840374 /nfs/dbraw/zinc/84/03/74/1311840374.db2.gz AMVLMAIKVPVQFA-ZDUSSCGKSA-N 1 0 339.355 2.519 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ccc3cccnc3c21 ZINC001227763116 1311851812 /nfs/dbraw/zinc/85/18/12/1311851812.db2.gz BWUPBJXIJMUHLO-MRXNPFEDSA-N 1 0 339.415 2.751 20 5 EFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000902542007 1311853712 /nfs/dbraw/zinc/85/37/12/1311853712.db2.gz KORCOZZXVUSDJA-MRXNPFEDSA-N 1 0 345.447 2.873 20 5 EFBDRO CCC(CC)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001161095250 1311856608 /nfs/dbraw/zinc/85/66/08/1311856608.db2.gz SSHRMVCWAYDBML-UHFFFAOYSA-N 1 0 337.380 2.963 20 5 EFBDRO CCC(CC)[NH+]1CCC(Nc2nc(OC)nc(C)c2[N+](=O)[O-])CC1 ZINC001161097726 1311856616 /nfs/dbraw/zinc/85/66/16/1311856616.db2.gz APWIXLIVGYAALN-UHFFFAOYSA-N 1 0 337.424 2.767 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)(F)F)c(Cl)c1 ZINC001227831355 1311863058 /nfs/dbraw/zinc/86/30/58/1311863058.db2.gz GNLIMBSBJQHBTQ-SECBINFHSA-N 1 0 340.749 2.721 20 5 EFBDRO O=[N+]([O-])c1cncc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001227990848 1311885167 /nfs/dbraw/zinc/88/51/67/1311885167.db2.gz RMEWDDLOISKYSE-SFHVURJKSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990707 1311885340 /nfs/dbraw/zinc/88/53/40/1311885340.db2.gz PFSZOJACSZXOAA-UKRRQHHQSA-N 1 0 328.372 2.989 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2(Cc3ccccn3)CC[NH2+]CC2)n1 ZINC001161495176 1311900233 /nfs/dbraw/zinc/90/02/33/1311900233.db2.gz DCPWWRYXYSWBTG-UHFFFAOYSA-N 1 0 341.415 2.778 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2c3ccccc3cc3ccccc32)CC12COC2 ZINC001161506674 1311903069 /nfs/dbraw/zinc/90/30/69/1311903069.db2.gz NQHJXLABAZUKSR-GOSISDBHSA-N 1 0 332.403 2.793 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(OCc2ccccc2)c1 ZINC001228298142 1311927167 /nfs/dbraw/zinc/92/71/67/1311927167.db2.gz IBVMHJCIMRENFN-QGZVFWFLSA-N 1 0 344.431 2.628 20 5 EFBDRO O=C(CCC(F)F)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228307864 1311928574 /nfs/dbraw/zinc/92/85/74/1311928574.db2.gz NDTMARKAOPZZHC-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CCOC(=O)c1ccc(C(F)(F)F)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228531316 1311961695 /nfs/dbraw/zinc/96/16/95/1311961695.db2.gz UXLMQHQVHNZNLM-JTQLQIEISA-N 1 0 335.346 2.751 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC001161747993 1311964897 /nfs/dbraw/zinc/96/48/97/1311964897.db2.gz BSHJGROKRJSQSJ-UHFFFAOYSA-N 1 0 349.412 2.780 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657752 1311976217 /nfs/dbraw/zinc/97/62/17/1311976217.db2.gz QNMVQRSSKVHAQX-BBRMVZONSA-N 1 0 328.372 2.674 20 5 EFBDRO Cc1cc2[nH]c(O[C@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)nc2cc1[N+](=O)[O-] ZINC001228676358 1311980165 /nfs/dbraw/zinc/98/01/65/1311980165.db2.gz DFLDSYRNURGBTO-ATCWAGBWSA-N 1 0 330.388 2.889 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)n1 ZINC001161822744 1311981904 /nfs/dbraw/zinc/98/19/04/1311981904.db2.gz WYQITWGSGTVQJP-MRXNPFEDSA-N 1 0 345.378 2.985 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001161877657 1311993342 /nfs/dbraw/zinc/99/33/42/1311993342.db2.gz PFCQUUUFJZAKJP-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2ccc3cccnc3c2n1 ZINC001161934864 1312007144 /nfs/dbraw/zinc/00/71/44/1312007144.db2.gz FOSUMFDIXWDEEV-UHFFFAOYSA-N 1 0 332.363 2.819 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])c(Cl)n3)O2)CC1 ZINC001228934547 1312022441 /nfs/dbraw/zinc/02/24/41/1312022441.db2.gz RILWGWTWBZCRQU-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228937449 1312023328 /nfs/dbraw/zinc/02/33/28/1312023328.db2.gz DSWJYNHZXNVMJL-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228935847 1312023422 /nfs/dbraw/zinc/02/34/22/1312023422.db2.gz JBPCERXYRRTSHZ-SNVBAGLBSA-N 1 0 334.294 2.713 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001161991312 1312023741 /nfs/dbraw/zinc/02/37/41/1312023741.db2.gz UVZHGRWUQPEYFT-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939614 1312023902 /nfs/dbraw/zinc/02/39/02/1312023902.db2.gz VTFOGOLXQKRCTC-QMMMGPOBSA-N 1 0 333.157 2.969 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001228941710 1312023967 /nfs/dbraw/zinc/02/39/67/1312023967.db2.gz MYFBQHJGFXOJNL-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO COc1cccc(C2(Nc3nccc(C)c3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161995683 1312025160 /nfs/dbraw/zinc/02/51/60/1312025160.db2.gz MPPRZQKJRRGLJM-UHFFFAOYSA-N 1 0 342.399 2.998 20 5 EFBDRO [NH3+]CCN(c1cc([N+](=O)[O-])c2nncn2c1)c1cccc2ccccc21 ZINC001162007031 1312027358 /nfs/dbraw/zinc/02/73/58/1312027358.db2.gz KOZMGAQSOJLXMR-UHFFFAOYSA-N 1 0 348.366 2.888 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001228965764 1312028255 /nfs/dbraw/zinc/02/82/55/1312028255.db2.gz FOPHGRHSOCQDSY-LLVKDONJSA-N 1 0 342.779 2.898 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001228967526 1312028348 /nfs/dbraw/zinc/02/83/48/1312028348.db2.gz RPUQJADWPFERPC-LLVKDONJSA-N 1 0 342.779 2.896 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(C(C)=O)cccc2[N+](=O)[O-])CC1 ZINC001228978139 1312031072 /nfs/dbraw/zinc/03/10/72/1312031072.db2.gz UPWNTDWOLHQKCP-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO COCC[NH+]1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229009076 1312034894 /nfs/dbraw/zinc/03/48/94/1312034894.db2.gz RQGCCCRQRDDGJL-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc(/C=C/[N+](=O)[O-])cc3)O2)CC1 ZINC001229119214 1312050237 /nfs/dbraw/zinc/05/02/37/1312050237.db2.gz MXMQPTKXBVWBJU-ZBZNSMLMSA-N 1 0 332.400 2.956 20 5 EFBDRO CC(=O)Nc1cc(O[C@H]2CCC[N@@H+](C)CC2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229131780 1312051827 /nfs/dbraw/zinc/05/18/27/1312051827.db2.gz YWJAUDLYQLBSDZ-ZDUSSCGKSA-N 1 0 349.387 2.619 20 5 EFBDRO Cc1ncc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)s1 ZINC001162161436 1312059494 /nfs/dbraw/zinc/05/94/94/1312059494.db2.gz GKPTYQYPQWZRHG-UHFFFAOYSA-N 1 0 336.417 2.912 20 5 EFBDRO COc1nc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162183147 1312063469 /nfs/dbraw/zinc/06/34/69/1312063469.db2.gz PXOBQDQDBWKXCA-HDJSIYSDSA-N 1 0 349.435 2.660 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162194974 1312065363 /nfs/dbraw/zinc/06/53/63/1312065363.db2.gz DAWOVXQMDJMVGI-WKILWMFISA-N 1 0 341.415 2.970 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CCC1 ZINC001229288767 1312072777 /nfs/dbraw/zinc/07/27/77/1312072777.db2.gz CCAYMBPSSTWLDR-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO C[C@@]1([NH3+])C[C@H](Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001162331219 1312088006 /nfs/dbraw/zinc/08/80/06/1312088006.db2.gz OMZGCGHVBRAZBD-AVCCJPFPSA-N 1 0 333.779 2.997 20 5 EFBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001162340107 1312090121 /nfs/dbraw/zinc/09/01/21/1312090121.db2.gz PFFYZDXPGQGBCW-KRWDZBQOSA-N 1 0 327.388 2.948 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(NC[C@]3(CC4CC4)CCC[NH2+]3)nc2c1 ZINC001162349825 1312092231 /nfs/dbraw/zinc/09/22/31/1312092231.db2.gz JFQGDHVIEXGUAK-QGZVFWFLSA-N 1 0 327.388 2.872 20 5 EFBDRO CN(C)/C=C/c1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001162352836 1312092545 /nfs/dbraw/zinc/09/25/45/1312092545.db2.gz BUXHNCBJYDHBAM-AHKGRUIUSA-N 1 0 345.447 2.856 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162405639 1312099274 /nfs/dbraw/zinc/09/92/74/1312099274.db2.gz VVRFOXYHYFSVQY-BDAKNGLRSA-N 1 0 327.768 2.717 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162456133 1312106811 /nfs/dbraw/zinc/10/68/11/1312106811.db2.gz GKOLWHKYQISZNQ-ZJUUUORDSA-N 1 0 343.225 2.800 20 5 EFBDRO Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001162481116 1312111431 /nfs/dbraw/zinc/11/14/31/1312111431.db2.gz IPMOODJACGFPIP-IUCAKERBSA-N 1 0 332.173 2.778 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229563704 1312114156 /nfs/dbraw/zinc/11/41/56/1312114156.db2.gz VJPAYDFPCNTALV-SNVBAGLBSA-N 1 0 330.182 2.615 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001162562318 1312124766 /nfs/dbraw/zinc/12/47/66/1312124766.db2.gz OJCKFGGVICWETE-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001162562134 1312124770 /nfs/dbraw/zinc/12/47/70/1312124770.db2.gz LBNOXCWXFDRUQY-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO Cc1cc(O)c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001229751232 1312132723 /nfs/dbraw/zinc/13/27/23/1312132723.db2.gz TXURSDXDSNHWSH-ZDUSSCGKSA-N 1 0 336.388 2.631 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c2cccc3Cl)n1 ZINC001162654410 1312143743 /nfs/dbraw/zinc/14/37/43/1312143743.db2.gz ZSXHIEWYNALUHR-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001229899366 1312156574 /nfs/dbraw/zinc/15/65/74/1312156574.db2.gz LZVYPNKPWPPOHG-UHFFFAOYSA-N 1 0 336.388 2.941 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001229898250 1312156774 /nfs/dbraw/zinc/15/67/74/1312156774.db2.gz CCYOPRKEEOKBEF-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229960285 1312163329 /nfs/dbraw/zinc/16/33/29/1312163329.db2.gz JRUZUHQFZZEQGZ-JOCQHMNTSA-N 1 0 336.388 2.941 20 5 EFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162763170 1312170189 /nfs/dbraw/zinc/17/01/89/1312170189.db2.gz NPKVMZDWHIBTSC-JTQLQIEISA-N 1 0 334.339 2.897 20 5 EFBDRO CC[NH+]1CCC(Oc2ncc(Br)c(C)c2[N+](=O)[O-])CC1 ZINC001230035276 1312175454 /nfs/dbraw/zinc/17/54/54/1312175454.db2.gz POKIXNIRDGBEJO-UHFFFAOYSA-N 1 0 344.209 2.924 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162794295 1312177540 /nfs/dbraw/zinc/17/75/40/1312177540.db2.gz OWWBQMCBNUFZTG-SUZMYJTESA-N 1 0 330.775 2.982 20 5 EFBDRO Cc1ccc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)nn2)cc1[N+](=O)[O-] ZINC001162795752 1312177785 /nfs/dbraw/zinc/17/77/85/1312177785.db2.gz ASRMWCQWVUFPTO-IJEWVQPXSA-N 1 0 337.383 2.546 20 5 EFBDRO Cc1ccc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001162795754 1312177845 /nfs/dbraw/zinc/17/78/45/1312177845.db2.gz ASRMWCQWVUFPTO-OFQRWUPVSA-N 1 0 337.383 2.546 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162844244 1312188395 /nfs/dbraw/zinc/18/83/95/1312188395.db2.gz KVXPQSFUJOCZGD-LLVKDONJSA-N 1 0 339.330 2.699 20 5 EFBDRO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001162876134 1312194504 /nfs/dbraw/zinc/19/45/04/1312194504.db2.gz PSIHTVDDYDXAID-AWEZNQCLSA-N 1 0 347.419 2.630 20 5 EFBDRO COc1nc(C)nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001162900644 1312200208 /nfs/dbraw/zinc/20/02/08/1312200208.db2.gz ZTMOVHUIKNRSNP-VIFPVBQESA-N 1 0 327.344 2.665 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001162902033 1312200338 /nfs/dbraw/zinc/20/03/38/1312200338.db2.gz DXORQEXLRDZUMH-JTQLQIEISA-N 1 0 340.339 2.740 20 5 EFBDRO CCOc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001162965893 1312213948 /nfs/dbraw/zinc/21/39/48/1312213948.db2.gz BGAYHHLZRLYCAO-OAHLLOKOSA-N 1 0 349.431 2.954 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162981009 1312217873 /nfs/dbraw/zinc/21/78/73/1312217873.db2.gz JCGKWXKAYPUYKR-UHFFFAOYSA-N 1 0 343.840 2.704 20 5 EFBDRO CC(C)(C)c1ccc(NCc2nnc3n2CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163017623 1312227119 /nfs/dbraw/zinc/22/71/19/1312227119.db2.gz NIOQMANYTQMOOM-UHFFFAOYSA-N 1 0 344.419 2.589 20 5 EFBDRO Cc1ccc2c(c1)[C@@H](Nc1ncc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163027991 1312229710 /nfs/dbraw/zinc/22/97/10/1312229710.db2.gz SIDYOPBJMSVEPL-INIZCTEOSA-N 1 0 339.399 2.871 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC001163051958 1312232748 /nfs/dbraw/zinc/23/27/48/1312232748.db2.gz AVDPHYMTAUSWHD-CYBMUJFWSA-N 1 0 338.367 2.921 20 5 EFBDRO c1ccc2cc3c(cc2c1)ncnc3NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163087325 1312238545 /nfs/dbraw/zinc/23/85/45/1312238545.db2.gz IZFZMJMTTHAGJJ-INIZCTEOSA-N 1 0 334.423 2.964 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001163103374 1312241456 /nfs/dbraw/zinc/24/14/56/1312241456.db2.gz CRGKJFREMCGXLF-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO O=C(CC1CC1)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163116625 1312244345 /nfs/dbraw/zinc/24/43/45/1312244345.db2.gz MRMWJIPFTFACDC-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc(C(F)(F)F)c1 ZINC001163171169 1312256289 /nfs/dbraw/zinc/25/62/89/1312256289.db2.gz JHUZEHIQSIJPBG-OWYVNGRQSA-N 1 0 345.321 2.650 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3ncc([N+](=O)[O-])cc3Cl)cn2)cc1 ZINC001163215647 1312265638 /nfs/dbraw/zinc/26/56/38/1312265638.db2.gz MLEGYTCMPOSBCY-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163220708 1312267125 /nfs/dbraw/zinc/26/71/25/1312267125.db2.gz HMXYJKSJLZWRBX-LBPRGKRZSA-N 1 0 345.359 2.995 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163267044 1312278097 /nfs/dbraw/zinc/27/80/97/1312278097.db2.gz JSVXEXKVPXNODW-UGFHNGPFSA-N 1 0 347.415 2.960 20 5 EFBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001230600477 1312280037 /nfs/dbraw/zinc/28/00/37/1312280037.db2.gz DZKGTBCSQHKNLE-UHFFFAOYSA-N 1 0 339.355 2.914 20 5 EFBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163279265 1312281005 /nfs/dbraw/zinc/28/10/05/1312281005.db2.gz KXKHKTYOMFSJSS-SJCJKPOMSA-N 1 0 330.388 2.647 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccnc21 ZINC001163291071 1312282888 /nfs/dbraw/zinc/28/28/88/1312282888.db2.gz MBIXKTDWHGHADU-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO [NH3+]C[C@@H](NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001163292154 1312283430 /nfs/dbraw/zinc/28/34/30/1312283430.db2.gz NQBMRDKRNIJKQG-LLVKDONJSA-N 1 0 342.733 2.982 20 5 EFBDRO CCOc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163291465 1312283536 /nfs/dbraw/zinc/28/35/36/1312283536.db2.gz QTGLNUVSWNNSPD-DYVFJYSZSA-N 1 0 335.404 2.564 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001163305025 1312285775 /nfs/dbraw/zinc/28/57/75/1312285775.db2.gz BLRGMNABICMIER-INIZCTEOSA-N 1 0 339.355 2.659 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001163306957 1312285962 /nfs/dbraw/zinc/28/59/62/1312285962.db2.gz USRDQDZBNOYUPX-MRXNPFEDSA-N 1 0 339.355 2.659 20 5 EFBDRO Nc1cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163320543 1312288577 /nfs/dbraw/zinc/28/85/77/1312288577.db2.gz UPHYEYOQFFAQJM-ZDUSSCGKSA-N 1 0 331.420 2.805 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163327086 1312290110 /nfs/dbraw/zinc/29/01/10/1312290110.db2.gz IZCUYBUCMWOWTG-NEQGBIJBSA-N 1 0 337.807 2.910 20 5 EFBDRO [NH3+]C1(CNc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CCC1 ZINC001163328534 1312290843 /nfs/dbraw/zinc/29/08/43/1312290843.db2.gz TWLZNLHVCHNKFH-UHFFFAOYSA-N 1 0 333.779 2.999 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC001163330178 1312290972 /nfs/dbraw/zinc/29/09/72/1312290972.db2.gz HIBJRNCAOGAGHZ-UHFFFAOYSA-N 1 0 349.412 2.648 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163360133 1312295880 /nfs/dbraw/zinc/29/58/80/1312295880.db2.gz BXIXPTWQOKDLPG-ONGXEEELSA-N 1 0 327.816 2.877 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)ccc1OC(F)(F)F ZINC001163392655 1312302569 /nfs/dbraw/zinc/30/25/69/1312302569.db2.gz AAOBHXRFTUREOX-NSHDSACASA-N 1 0 331.294 3.000 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001163411460 1312307462 /nfs/dbraw/zinc/30/74/62/1312307462.db2.gz IONVWOZXVKZHSB-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO CC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001163510780 1312329788 /nfs/dbraw/zinc/32/97/88/1312329788.db2.gz ZWRCKPVUPDWUIV-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163514926 1312330625 /nfs/dbraw/zinc/33/06/25/1312330625.db2.gz UEVMVLCPYTVDJG-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CN1C(=O)CCC12CCC(Nc1cc3c(cc1[N+](=O)[O-])C[NH2+]C3)CC2 ZINC001163594528 1312343687 /nfs/dbraw/zinc/34/36/87/1312343687.db2.gz PYPOWGCWYXVOQF-UHFFFAOYSA-N 1 0 344.415 2.544 20 5 EFBDRO CC(=O)Cc1c(F)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001230794812 1312345974 /nfs/dbraw/zinc/34/59/74/1312345974.db2.gz VVYBLLVATQZGQJ-ITGUQSILSA-N 1 0 336.363 2.869 20 5 EFBDRO COc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc([N+](=O)[O-])c1C ZINC001163650584 1312354400 /nfs/dbraw/zinc/35/44/00/1312354400.db2.gz TWEPNGRKCNMYDU-DLBZAZTESA-N 1 0 335.404 2.625 20 5 EFBDRO CC[N@@H+]1CCCN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)CC1 ZINC001163776160 1312382497 /nfs/dbraw/zinc/38/24/97/1312382497.db2.gz IYHLQYUBQPKLNR-UHFFFAOYSA-N 1 0 341.415 2.892 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001163919084 1312407676 /nfs/dbraw/zinc/40/76/76/1312407676.db2.gz WSCLLRMSRYZAEB-UHFFFAOYSA-N 1 0 343.427 2.937 20 5 EFBDRO O=C(/C=C/C1CC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163941103 1312411918 /nfs/dbraw/zinc/41/19/18/1312411918.db2.gz XWUGMOHAZPLPNL-VOTSOKGWSA-N 1 0 343.427 2.937 20 5 EFBDRO C/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163991506 1312421401 /nfs/dbraw/zinc/42/14/01/1312421401.db2.gz AUPSDSYIKJFHQI-LZWSPWQCSA-N 1 0 331.416 2.937 20 5 EFBDRO Cc1nc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001231120739 1312436332 /nfs/dbraw/zinc/43/63/32/1312436332.db2.gz UUWVRHVYMDTUDE-LBPRGKRZSA-N 1 0 342.193 2.534 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164068755 1312440706 /nfs/dbraw/zinc/44/07/06/1312440706.db2.gz HBRLIDTWSCOKSS-VHSXEESVSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164070081 1312441081 /nfs/dbraw/zinc/44/10/81/1312441081.db2.gz NBGYUHMWMBREJM-MWLCHTKSSA-N 1 0 335.795 2.755 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C)CC[C@H]3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001164073649 1312441935 /nfs/dbraw/zinc/44/19/35/1312441935.db2.gz NLZCPZAGPBENMA-DOMZBBRYSA-N 1 0 341.415 2.924 20 5 EFBDRO CN(C)c1ccnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903199491 1312455256 /nfs/dbraw/zinc/45/52/56/1312455256.db2.gz ZKRORKXNVZIHPZ-JKSUJKDBSA-N 1 0 344.419 2.526 20 5 EFBDRO C[C@@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231236665 1312460484 /nfs/dbraw/zinc/46/04/84/1312460484.db2.gz OPVONZBPNNCXBR-ZETCQYMHSA-N 1 0 337.254 2.851 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001231242813 1312463089 /nfs/dbraw/zinc/46/30/89/1312463089.db2.gz IYXNTGVRWKDRLX-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO CN1CCC(CNc2ccc3ncccc3c2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164212744 1312469062 /nfs/dbraw/zinc/46/90/62/1312469062.db2.gz AOMWHEUBXOIAOM-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CN1CCC(CNc2ccc3cnccc3c2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164212737 1312469592 /nfs/dbraw/zinc/46/95/92/1312469592.db2.gz AJKWPEKRWBHJHJ-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCN2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000903226945 1312480701 /nfs/dbraw/zinc/48/07/01/1312480701.db2.gz JKRUFLRVDRUOHB-KRWDZBQOSA-N 1 0 333.432 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCCOCC1)CCCC2 ZINC000903227770 1312480783 /nfs/dbraw/zinc/48/07/83/1312480783.db2.gz NWYLEGJRDKNFCC-SFHVURJKSA-N 1 0 333.432 2.674 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001231397928 1312487620 /nfs/dbraw/zinc/48/76/20/1312487620.db2.gz OIDYNCLBKVJMCZ-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO CCn1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001164452823 1312516602 /nfs/dbraw/zinc/51/66/02/1312516602.db2.gz HQGDCUKWDGCCIH-UHFFFAOYSA-N 1 0 344.415 2.634 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164456589 1312517342 /nfs/dbraw/zinc/51/73/42/1312517342.db2.gz OFFBEZOFNUONBF-RKDXNWHRSA-N 1 0 334.754 2.752 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC001164492509 1312524949 /nfs/dbraw/zinc/52/49/49/1312524949.db2.gz LZCWPPWLKBHOQJ-BZUAXINKSA-N 1 0 339.399 2.707 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CCC1 ZINC001164507114 1312528859 /nfs/dbraw/zinc/52/88/59/1312528859.db2.gz VDEZABNXLSBVMO-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287934 1312538836 /nfs/dbraw/zinc/53/88/36/1312538836.db2.gz UDSREGOCTCONBR-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC001164604658 1312548604 /nfs/dbraw/zinc/54/86/04/1312548604.db2.gz OSPDHUKYUUKHBZ-UHFFFAOYSA-N 1 0 343.383 2.975 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164608057 1312549012 /nfs/dbraw/zinc/54/90/12/1312549012.db2.gz MUUPREORXSHLSW-AWEZNQCLSA-N 1 0 332.791 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)cnc2c1 ZINC001164608075 1312549074 /nfs/dbraw/zinc/54/90/74/1312549074.db2.gz NDDIBRLMEWYWSH-HNNXBMFYSA-N 1 0 349.394 2.559 20 5 EFBDRO CC[NH+]1CCC(N(C)c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165069369 1312562694 /nfs/dbraw/zinc/56/26/94/1312562694.db2.gz CJUNDJHHLLVMCP-UHFFFAOYSA-N 1 0 341.415 2.972 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001165074631 1312563178 /nfs/dbraw/zinc/56/31/78/1312563178.db2.gz NZKQQVYNALBSLH-CYBMUJFWSA-N 1 0 345.378 2.721 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001165139117 1312577177 /nfs/dbraw/zinc/57/71/77/1312577177.db2.gz BWXPCHMPZHZSDD-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001165147321 1312578063 /nfs/dbraw/zinc/57/80/63/1312578063.db2.gz DPXCRJAPHQWSLQ-PHIMTYICSA-N 1 0 332.791 2.794 20 5 EFBDRO CN(C)/C=C\c1cc(N2CC[N@H+](C)CC23CCCC3)ncc1[N+](=O)[O-] ZINC001165198328 1312584165 /nfs/dbraw/zinc/58/41/65/1312584165.db2.gz HWBMSZRXRLBFCY-TWGQIWQCSA-N 1 0 345.447 2.587 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165237404 1312592857 /nfs/dbraw/zinc/59/28/57/1312592857.db2.gz WWGNDJOTBWTVDS-INIZCTEOSA-N 1 0 347.806 2.771 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001165243312 1312593836 /nfs/dbraw/zinc/59/38/36/1312593836.db2.gz KJHYFZQIIHIBLY-UHFFFAOYSA-N 1 0 339.399 2.760 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001165244311 1312594380 /nfs/dbraw/zinc/59/43/80/1312594380.db2.gz YMUXUSUKAAZMGV-UHFFFAOYSA-N 1 0 347.806 2.899 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165265241 1312598402 /nfs/dbraw/zinc/59/84/02/1312598402.db2.gz ODMJRUXUMIGUEO-ZDUSSCGKSA-N 1 0 344.337 2.809 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001165290308 1312603663 /nfs/dbraw/zinc/60/36/63/1312603663.db2.gz RYFHKUIQRGKCOZ-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO Cc1cnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165301124 1312605636 /nfs/dbraw/zinc/60/56/36/1312605636.db2.gz RAWLPLVHNFTSTE-GFCCVEGCSA-N 1 0 344.337 2.952 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCCC[C@H]3C3CC[NH2+]CC3)cnc2c1 ZINC001165320212 1312608277 /nfs/dbraw/zinc/60/82/77/1312608277.db2.gz ORKIJYRLGUXBGQ-KRWDZBQOSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)cnc2c1 ZINC001165320213 1312608541 /nfs/dbraw/zinc/60/85/41/1312608541.db2.gz ORKIJYRLGUXBGQ-QGZVFWFLSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001165324348 1312608958 /nfs/dbraw/zinc/60/89/58/1312608958.db2.gz QQYVAHPBMGPKLU-QGZVFWFLSA-N 1 0 341.415 2.897 20 5 EFBDRO COc1cc(C)nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165324293 1312609144 /nfs/dbraw/zinc/60/91/44/1312609144.db2.gz PZWSGBCHOLSSGC-CQSZACIVSA-N 1 0 334.420 2.665 20 5 EFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCCC[C@H]3C3CC[NH2+]CC3)nc21 ZINC001165325108 1312609337 /nfs/dbraw/zinc/60/93/37/1312609337.db2.gz WTXKRDRDPXGGRE-AWEZNQCLSA-N 1 0 329.404 2.830 20 5 EFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nc21 ZINC001165325110 1312609352 /nfs/dbraw/zinc/60/93/52/1312609352.db2.gz WTXKRDRDPXGGRE-CQSZACIVSA-N 1 0 329.404 2.830 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCCCC12CC[NH2+]CC2 ZINC001165334106 1312611143 /nfs/dbraw/zinc/61/11/43/1312611143.db2.gz FQLOLSNXKJMTNS-UHFFFAOYSA-N 1 0 346.218 2.804 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc1-c1ccc(F)cc1 ZINC001165397585 1312621183 /nfs/dbraw/zinc/62/11/83/1312621183.db2.gz WSCSXPXLRZJVCS-DZGCQCFKSA-N 1 0 328.347 2.737 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391540 1312627073 /nfs/dbraw/zinc/62/70/73/1312627073.db2.gz CCCPVNQONJMBAY-JSGCOSHPSA-N 1 0 335.404 2.655 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]2CF)CC1 ZINC001165428478 1312628248 /nfs/dbraw/zinc/62/82/48/1312628248.db2.gz CZGWLYPEIHSJHO-OCCSQVGLSA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1cc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165428483 1312628318 /nfs/dbraw/zinc/62/83/18/1312628318.db2.gz DAIODCZZQBDFHY-WFASDCNBSA-N 1 0 344.390 2.965 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165429095 1312628934 /nfs/dbraw/zinc/62/89/34/1312628934.db2.gz HIMHPGUNQIQCMD-SFYZADRCSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]2CF)CC1 ZINC001165433442 1312630272 /nfs/dbraw/zinc/63/02/72/1312630272.db2.gz WJVILKYKJZSYQN-QWHCGFSZSA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001165672330 1312660462 /nfs/dbraw/zinc/66/04/62/1312660462.db2.gz SJKXHMSNISSWED-CQSZACIVSA-N 1 0 348.447 2.814 20 5 EFBDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001318211577 1328528929 /nfs/dbraw/zinc/52/89/29/1328528929.db2.gz NKZNNIKILNTKOB-UHFFFAOYSA-N 1 0 340.383 2.599 20 5 EFBDRO O=[N+]([O-])c1ncccc1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001213172003 1314516511 /nfs/dbraw/zinc/51/65/11/1314516511.db2.gz LDCKNDSCHIXQEE-UHFFFAOYSA-N 1 0 334.295 2.893 20 5 EFBDRO O=[N+]([O-])c1ncccc1-c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001213172351 1314516761 /nfs/dbraw/zinc/51/67/61/1314516761.db2.gz VBXFASVJFQBGQD-UHFFFAOYSA-N 1 0 334.295 2.893 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001019945693 1314546330 /nfs/dbraw/zinc/54/63/30/1314546330.db2.gz QPJZUELDBMYDOZ-WKILWMFISA-N 1 0 325.368 2.645 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001020054262 1314589676 /nfs/dbraw/zinc/58/96/76/1314589676.db2.gz JHQNLTHVPWAWKN-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCCC[NH2+]2)c1F ZINC001246241961 1314600848 /nfs/dbraw/zinc/60/08/48/1314600848.db2.gz DAYKPMLIRXIFLF-STQMWFEESA-N 1 0 339.411 2.795 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611444 1314656896 /nfs/dbraw/zinc/65/68/96/1314656896.db2.gz SZVJUVHRRNPUHF-RDTXWAMCSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611720 1314657649 /nfs/dbraw/zinc/65/76/49/1314657649.db2.gz VKWPQLYDUATUPN-KBXCAEBGSA-N 1 0 333.432 2.610 20 5 EFBDRO COCCCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246809724 1314686511 /nfs/dbraw/zinc/68/65/11/1314686511.db2.gz RTGLWHXLNAIZGD-YJBOKZPZSA-N 1 0 335.448 2.616 20 5 EFBDRO COCCCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246809356 1314687100 /nfs/dbraw/zinc/68/71/00/1314687100.db2.gz QZADVNKPKJUKAC-DOTOQJQBSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1Cc1ccccc1)C2 ZINC001246816094 1314689107 /nfs/dbraw/zinc/68/91/07/1314689107.db2.gz CXIKXKKCFXATDF-WOJBJXKFSA-N 1 0 337.423 2.579 20 5 EFBDRO CCC[C@H]1CN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246897024 1314705829 /nfs/dbraw/zinc/70/58/29/1314705829.db2.gz IQZBKVMJPADIIH-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO CCCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001246931744 1314710436 /nfs/dbraw/zinc/71/04/36/1314710436.db2.gz YONFXBHSUAFXLI-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246940149 1314711282 /nfs/dbraw/zinc/71/12/82/1314711282.db2.gz XIYBNUDUKCAISY-BPQIPLTHSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH2+]C[C@H]1C(F)(F)F)CC2 ZINC001246985370 1314723160 /nfs/dbraw/zinc/72/31/60/1314723160.db2.gz BLFVNDQWHOTSAD-ZFWWWQNUSA-N 1 0 343.349 2.678 20 5 EFBDRO CC[C@H]([NH3+])CN(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246981889 1314723496 /nfs/dbraw/zinc/72/34/96/1314723496.db2.gz SXCAUMZDFDPXHG-NSHDSACASA-N 1 0 342.390 2.511 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)NCCc2ccccc23)C1 ZINC001247004735 1314729264 /nfs/dbraw/zinc/72/92/64/1314729264.db2.gz NZCAXCOEROYXCM-DOTOQJQBSA-N 1 0 329.444 2.569 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001247016387 1314731750 /nfs/dbraw/zinc/73/17/50/1314731750.db2.gz UPHSETHNEAINTP-JLJPHGGASA-N 1 0 333.432 2.608 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)nc2)CC1 ZINC001215285293 1314808939 /nfs/dbraw/zinc/80/89/39/1314808939.db2.gz IHTQTYQHRHXJFZ-UHFFFAOYSA-N 1 0 349.341 2.763 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC001249073621 1315016383 /nfs/dbraw/zinc/01/63/83/1315016383.db2.gz RXIRZHXIBWOXHP-NSHDSACASA-N 1 0 333.323 2.726 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000405092436 1315030370 /nfs/dbraw/zinc/03/03/70/1315030370.db2.gz QYVDENCGLAGSSY-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CO[C@H]4CC[NH2+]C4)n3)nc12 ZINC001249272472 1315042667 /nfs/dbraw/zinc/04/26/67/1315042667.db2.gz ZSOSRDNTXRVRDW-AWEZNQCLSA-N 1 0 347.378 2.712 20 5 EFBDRO Cc1cc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cnc1C ZINC001249277859 1315043843 /nfs/dbraw/zinc/04/38/43/1315043843.db2.gz AAVGKSFSEYSVPG-OAHLLOKOSA-N 1 0 339.355 2.899 20 5 EFBDRO CCc1cccnc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278046 1315044169 /nfs/dbraw/zinc/04/41/69/1315044169.db2.gz FFLMYLGFTXCZQZ-CQSZACIVSA-N 1 0 339.355 2.845 20 5 EFBDRO Cc1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001249278420 1315044640 /nfs/dbraw/zinc/04/46/40/1315044640.db2.gz JCXAUBAPXPWTHP-CYBMUJFWSA-N 1 0 325.328 2.591 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001249546436 1315094109 /nfs/dbraw/zinc/09/41/09/1315094109.db2.gz STIIXKFTXPTALC-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001318369752 1328566279 /nfs/dbraw/zinc/56/62/79/1328566279.db2.gz HFCCYKLSIIFBDJ-NVXWUHKLSA-N 1 0 344.415 2.539 20 5 EFBDRO [NH3+][C@@H](Cc1nnc(CC2CCCC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217717008 1315105334 /nfs/dbraw/zinc/10/53/34/1315105334.db2.gz SWSOCYPYRHBVFF-CQSZACIVSA-N 1 0 330.388 2.823 20 5 EFBDRO O=[N+]([O-])c1ccccc1[C@H](OCCN1CC[NH2+]CC1)c1ccccc1 ZINC001217930141 1315122287 /nfs/dbraw/zinc/12/22/87/1315122287.db2.gz NDNWUDJZHRLTRJ-LJQANCHMSA-N 1 0 341.411 2.606 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217961973 1315126142 /nfs/dbraw/zinc/12/61/42/1315126142.db2.gz UHXZFFQGNTZNOJ-CPCISQLKSA-N 1 0 337.120 2.575 20 5 EFBDRO COc1cc(Br)c(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217969473 1315126681 /nfs/dbraw/zinc/12/66/81/1315126681.db2.gz WXNGOUYVUCUMHL-VIFPVBQESA-N 1 0 345.193 2.887 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217971025 1315127419 /nfs/dbraw/zinc/12/74/19/1315127419.db2.gz DKNUJPCUHSGWEV-GXSJLCMTSA-N 1 0 333.157 2.826 20 5 EFBDRO O=c1ccc2ncc(O[C@H]3CCCC[NH2+]C3)c3c4ccccc4n1c32 ZINC001217973556 1315128016 /nfs/dbraw/zinc/12/80/16/1315128016.db2.gz FHODZURSWSLVLG-ZDUSSCGKSA-N 1 0 333.391 2.960 20 5 EFBDRO Cc1nc(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981030 1315128549 /nfs/dbraw/zinc/12/85/49/1315128549.db2.gz NVGKVJWPHOJJLX-KOLCDFICSA-N 1 0 348.172 2.530 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979320 1315128610 /nfs/dbraw/zinc/12/86/10/1315128610.db2.gz FVYNYXUAYMPLLN-ZYHUDNBSSA-N 1 0 346.742 2.504 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC[C@@H]3F)[nH]c2cc1Cl ZINC001217981119 1315128972 /nfs/dbraw/zinc/12/89/72/1315128972.db2.gz OLCITZHKTLFKBW-QPUJVOFHSA-N 1 0 328.731 2.593 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218016939 1315134784 /nfs/dbraw/zinc/13/47/84/1315134784.db2.gz RDJQBOPSSKWCOH-ONGXEEELSA-N 1 0 338.257 2.962 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218025745 1315135291 /nfs/dbraw/zinc/13/52/91/1315135291.db2.gz VHDWZDYHOKRRQU-QPUJVOFHSA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CC[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001218031105 1315135989 /nfs/dbraw/zinc/13/59/89/1315135989.db2.gz MSPRCAUMXZGMJJ-GZMMTYOYSA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001218031625 1315136234 /nfs/dbraw/zinc/13/62/34/1315136234.db2.gz QWLIMASJQRLNOD-QPUJVOFHSA-N 1 0 344.209 2.828 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218043501 1315138131 /nfs/dbraw/zinc/13/81/31/1315138131.db2.gz JTHYNYGCHRHLEC-RDDDGLTNSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218083474 1315145773 /nfs/dbraw/zinc/14/57/73/1315145773.db2.gz MBPGUOAMFJUTPG-LSBZLQRGSA-N 1 0 340.379 2.875 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218092022 1315146563 /nfs/dbraw/zinc/14/65/63/1315146563.db2.gz QHLYGJLICFWIDV-YPMHNXCESA-N 1 0 331.294 2.920 20 5 EFBDRO O=c1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218088355 1315146608 /nfs/dbraw/zinc/14/66/08/1315146608.db2.gz DKNYHIGCQGMORC-RDJZCZTQSA-N 1 0 329.356 2.760 20 5 EFBDRO O=c1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218088356 1315146850 /nfs/dbraw/zinc/14/68/50/1315146850.db2.gz DKNYHIGCQGMORC-WBVHZDCISA-N 1 0 329.356 2.760 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218088578 1315147038 /nfs/dbraw/zinc/14/70/38/1315147038.db2.gz BEOXEFVHZDPOTG-WBVHZDCISA-N 1 0 334.372 2.601 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001318385534 1328570052 /nfs/dbraw/zinc/57/00/52/1328570052.db2.gz KGMZRBJOMNBHEP-CABCVRRESA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](Oc1ccc(CC[NH3+])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216270 1315165634 /nfs/dbraw/zinc/16/56/34/1315165634.db2.gz XQSLSXKOGISAPV-NSHDSACASA-N 1 0 330.340 2.965 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218243448 1315170692 /nfs/dbraw/zinc/17/06/92/1315170692.db2.gz FLCCPMNVCPIZGW-CYBMUJFWSA-N 1 0 335.360 2.931 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218322310 1315179176 /nfs/dbraw/zinc/17/91/76/1315179176.db2.gz NFTPBNPJLQTZQB-SKDRFNHKSA-N 1 0 333.157 2.745 20 5 EFBDRO C[C@H]1CC[C@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398708 1315189755 /nfs/dbraw/zinc/18/97/55/1315189755.db2.gz MGQQFUVEOKOSRV-QWRGUYRKSA-N 1 0 341.363 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218448123 1315196992 /nfs/dbraw/zinc/19/69/92/1315196992.db2.gz LRNACBLTIAIHPF-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC3(F)F)[nH]c2cc1Cl ZINC001218453552 1315199122 /nfs/dbraw/zinc/19/91/22/1315199122.db2.gz XGUZNDFAJGHSHO-SNVBAGLBSA-N 1 0 332.694 2.501 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218461536 1315200101 /nfs/dbraw/zinc/20/01/01/1315200101.db2.gz SIFBPLBPSADWHA-ZEGGKSINSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218470513 1315201027 /nfs/dbraw/zinc/20/10/27/1315201027.db2.gz COONIFKODBHSBP-HLUHBDAQSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218467660 1315201065 /nfs/dbraw/zinc/20/10/65/1315201065.db2.gz QAXQQJFOOOFALX-YSVLISHTSA-N 1 0 331.416 2.962 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000749155303 1315201639 /nfs/dbraw/zinc/20/16/39/1315201639.db2.gz YOIYKNSPRIICPU-UHFFFAOYSA-N 1 0 347.346 2.813 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218483681 1315202928 /nfs/dbraw/zinc/20/29/28/1315202928.db2.gz YHKMONZAHDZTNA-HQJQHLMTSA-N 1 0 333.157 2.873 20 5 EFBDRO COc1cc(Br)c(O[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001218480945 1315203161 /nfs/dbraw/zinc/20/31/61/1315203161.db2.gz GMIRULBNNOGLCO-PELKAZGASA-N 1 0 345.193 2.743 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218482615 1315203371 /nfs/dbraw/zinc/20/33/71/1315203371.db2.gz AVRBGHSUBCJEIX-WBMJQRKESA-N 1 0 333.391 2.816 20 5 EFBDRO COC(=O)c1cc(O[C@@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001218486265 1315203899 /nfs/dbraw/zinc/20/38/99/1315203899.db2.gz IUAJUHYPWXNKLS-MRXNPFEDSA-N 1 0 328.324 2.605 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858286 1315251857 /nfs/dbraw/zinc/25/18/57/1315251857.db2.gz XGKPSAXTSDAXOM-VXGBXAGGSA-N 1 0 335.411 2.692 20 5 EFBDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857975 1315251986 /nfs/dbraw/zinc/25/19/86/1315251986.db2.gz RSSPECLKGRDKHG-ZMZPIMSZSA-N 1 0 335.411 2.692 20 5 EFBDRO CC1(C)[C@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C[C@@H]1[NH3+] ZINC001218858054 1315252067 /nfs/dbraw/zinc/25/20/67/1315252067.db2.gz VSDUADMSNAIEEI-BTDLBPIBSA-N 1 0 335.411 2.677 20 5 EFBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250745373 1315257095 /nfs/dbraw/zinc/25/70/95/1315257095.db2.gz OTISFGICAYZIQF-UHFFFAOYSA-N 1 0 337.383 2.890 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001318404815 1328577375 /nfs/dbraw/zinc/57/73/75/1328577375.db2.gz WLYZLUWPBOJETC-QWHCGFSZSA-N 1 0 325.796 2.851 20 5 EFBDRO Nc1ccc2n(C(=O)CC3CC[NH2+]CC3)c3ccccc3cc-2c1=O ZINC001219254208 1315294857 /nfs/dbraw/zinc/29/48/57/1315294857.db2.gz VXUNHSYHRZPFRA-UHFFFAOYSA-N 1 0 335.407 2.718 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219254334 1315295020 /nfs/dbraw/zinc/29/50/20/1315295020.db2.gz YCRQMWXPOHRYFY-JSGCOSHPSA-N 1 0 335.407 2.717 20 5 EFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4csc([N+](=O)[O-])c4)nc32)CC1 ZINC001250928422 1315296726 /nfs/dbraw/zinc/29/67/26/1315296726.db2.gz OYHFFHQJIRAACB-UHFFFAOYSA-N 1 0 343.412 2.951 20 5 EFBDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC001254004015 1315664653 /nfs/dbraw/zinc/66/46/53/1315664653.db2.gz FGFZDSGSADATHR-BYPUDFOVSA-N 1 0 329.400 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CCOCC4)CC2)cc1 ZINC001254467618 1315706822 /nfs/dbraw/zinc/70/68/22/1315706822.db2.gz DKHZKBIZZXHMLC-KRWDZBQOSA-N 1 0 331.416 2.722 20 5 EFBDRO [NH3+]Cc1ncccc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469904 1315706900 /nfs/dbraw/zinc/70/69/00/1315706900.db2.gz IYXWQNRZLXMIMC-UHFFFAOYSA-N 1 0 327.388 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cncc(Cl)n3)CC2)cc1 ZINC001254468530 1315706944 /nfs/dbraw/zinc/70/69/44/1315706944.db2.gz KYUCMFRUCIKZNW-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465977 1315706958 /nfs/dbraw/zinc/70/69/58/1315706958.db2.gz SIXZSRLOOUCIEF-HNNXBMFYSA-N 1 0 332.448 2.638 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nccc(Cl)n3)CC2)cc1 ZINC001254469612 1315707048 /nfs/dbraw/zinc/70/70/48/1315707048.db2.gz SGEKLTGLUSTRFY-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO CC(C)CN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470596 1315707069 /nfs/dbraw/zinc/70/70/69/1315707069.db2.gz ZIPHEFKHMLXKQK-KRWDZBQOSA-N 1 0 346.475 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)c3cccs3)CC2)cc1 ZINC001254467732 1315707133 /nfs/dbraw/zinc/70/71/33/1315707133.db2.gz FDTHBCOIRKREHD-MRXNPFEDSA-N 1 0 347.440 2.948 20 5 EFBDRO COc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254465544 1315707171 /nfs/dbraw/zinc/70/71/71/1315707171.db2.gz CDNJXGDXBSTVKY-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=C1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1F ZINC001254473820 1315707646 /nfs/dbraw/zinc/70/76/46/1315707646.db2.gz IDGDWXWSBCCZPG-INIZCTEOSA-N 1 0 335.379 2.567 20 5 EFBDRO CC[N@H+](CCCC(=O)OC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474976 1315707675 /nfs/dbraw/zinc/70/76/75/1315707675.db2.gz XDHFDKPIXHUJMH-UHFFFAOYSA-N 1 0 349.431 2.839 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H](CCO)C3)CC2)cc1 ZINC001254480137 1315707933 /nfs/dbraw/zinc/70/79/33/1315707933.db2.gz WGPKBZGVRHUNAM-OAHLLOKOSA-N 1 0 333.432 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001254480221 1315707982 /nfs/dbraw/zinc/70/79/82/1315707982.db2.gz YOPQRWOVNFFZMY-GOSISDBHSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254480510 1315708273 /nfs/dbraw/zinc/70/82/73/1315708273.db2.gz ICKOOWUFDDYFOG-SFHVURJKSA-N 1 0 333.432 2.920 20 5 EFBDRO COC(=O)[C@H](C(C)C)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481598 1315708593 /nfs/dbraw/zinc/70/85/93/1315708593.db2.gz XLYOXGBCQUYANN-KRWDZBQOSA-N 1 0 349.431 2.693 20 5 EFBDRO Cc1nc2c(o1)CCN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254483987 1315708787 /nfs/dbraw/zinc/70/87/87/1315708787.db2.gz ZRVCAXXWFSLKEN-UHFFFAOYSA-N 1 0 342.399 2.918 20 5 EFBDRO O=C1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]12 ZINC001254482607 1315708813 /nfs/dbraw/zinc/70/88/13/1315708813.db2.gz LHOVBVYTVMSWON-KDOFPFPSSA-N 1 0 343.427 2.865 20 5 EFBDRO CC[N@H+](CCn1ccnc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481619 1315708906 /nfs/dbraw/zinc/70/89/06/1315708906.db2.gz XPMLXTSDHDRHHT-UHFFFAOYSA-N 1 0 343.431 2.782 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001254530994 1315720076 /nfs/dbraw/zinc/72/00/76/1315720076.db2.gz BVAIOAATBMCMMC-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531338 1315720629 /nfs/dbraw/zinc/72/06/29/1315720629.db2.gz DPXAMQAGEBQZTI-XJKSGUPXSA-N 1 0 345.399 2.643 20 5 EFBDRO Cc1cccn2c(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001254531346 1315720916 /nfs/dbraw/zinc/72/09/16/1315720916.db2.gz DTCJCTMMVUZMQI-ZDUSSCGKSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001254537306 1315721477 /nfs/dbraw/zinc/72/14/77/1315721477.db2.gz ZLOQFKQXITXTIH-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001254537305 1315721517 /nfs/dbraw/zinc/72/15/17/1315721517.db2.gz ZLOQFKQXITXTIH-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1 ZINC001254536637 1315721532 /nfs/dbraw/zinc/72/15/32/1315721532.db2.gz RIWPCSOBUWXIKM-HOCLYGCPSA-N 1 0 330.384 2.555 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)Nc1ccccc1 ZINC001254540990 1315721678 /nfs/dbraw/zinc/72/16/78/1315721678.db2.gz XUNKNYDZRZPXRK-CQSZACIVSA-N 1 0 342.399 2.937 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001254542800 1315721895 /nfs/dbraw/zinc/72/18/95/1315721895.db2.gz BBVMDYMTDFPOPJ-JQFCIGGWSA-N 1 0 345.443 2.953 20 5 EFBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543240 1315721902 /nfs/dbraw/zinc/72/19/02/1315721902.db2.gz CXBRQJHWLRKSHH-NSHDSACASA-N 1 0 331.372 2.733 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001254547004 1315722366 /nfs/dbraw/zinc/72/23/66/1315722366.db2.gz BLWMWVVKJQVKMM-KSSFIOAISA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001254550432 1315722551 /nfs/dbraw/zinc/72/25/51/1315722551.db2.gz JQPOZHPIZLJASR-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])c1cnc2ccc(F)cn21 ZINC001254549861 1315722576 /nfs/dbraw/zinc/72/25/76/1315722576.db2.gz XVLRITMQMARKOV-LLVKDONJSA-N 1 0 341.346 2.928 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])(CC1)C2 ZINC001254549858 1315722998 /nfs/dbraw/zinc/72/29/98/1315722998.db2.gz XTZGISWCNUEMCZ-TZYSRNFLSA-N 1 0 332.400 2.991 20 5 EFBDRO COCC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001254561635 1315723902 /nfs/dbraw/zinc/72/39/02/1315723902.db2.gz HGLQAWRARWSLGN-HNNXBMFYSA-N 1 0 335.448 2.568 20 5 EFBDRO COCC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001254561636 1315724045 /nfs/dbraw/zinc/72/40/45/1315724045.db2.gz HGLQAWRARWSLGN-OAHLLOKOSA-N 1 0 335.448 2.568 20 5 EFBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567517 1315724494 /nfs/dbraw/zinc/72/44/94/1315724494.db2.gz OXZNRERYFOWLKZ-HNNXBMFYSA-N 1 0 347.415 2.519 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCS1 ZINC001254564838 1315724522 /nfs/dbraw/zinc/72/45/22/1315724522.db2.gz NLENWTUTOAVDDT-IUODEOHRSA-N 1 0 338.429 2.506 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254567867 1315724669 /nfs/dbraw/zinc/72/46/69/1315724669.db2.gz QCIZTINIEPCAKA-WMZOPIPTSA-N 1 0 340.379 2.956 20 5 EFBDRO Cc1cc2c(cc1C[NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)OCCO2 ZINC001254566980 1315724692 /nfs/dbraw/zinc/72/46/92/1315724692.db2.gz MCTNDDXWLCTAPG-INIZCTEOSA-N 1 0 340.379 2.931 20 5 EFBDRO C[C@@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC001254564801 1315724768 /nfs/dbraw/zinc/72/47/68/1315724768.db2.gz AGXMLGVRNUSOHK-FZMZJTMJSA-N 1 0 335.404 2.565 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566284 1315724851 /nfs/dbraw/zinc/72/48/51/1315724851.db2.gz JEMKZLLUEBKMFJ-GJZGRUSLSA-N 1 0 347.415 2.661 20 5 EFBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254567645 1315724950 /nfs/dbraw/zinc/72/49/50/1315724950.db2.gz XWPITJURMUHKGN-PBHICJAKSA-N 1 0 333.432 2.857 20 5 EFBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568442 1315725245 /nfs/dbraw/zinc/72/52/45/1315725245.db2.gz FZEHAUOHPDYNRX-CZUORRHYSA-N 1 0 342.399 2.778 20 5 EFBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570582 1315725287 /nfs/dbraw/zinc/72/52/87/1315725287.db2.gz OFTOCLGHKCQQEM-GDBMZVCRSA-N 1 0 333.432 2.762 20 5 EFBDRO CN(C)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571667 1315725395 /nfs/dbraw/zinc/72/53/95/1315725395.db2.gz ADDDFTAAMQNYDQ-HKUYNNGSSA-N 1 0 325.412 2.955 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC001254570035 1315725506 /nfs/dbraw/zinc/72/55/06/1315725506.db2.gz MEIOIMPOJQWQAJ-GOEBONIOSA-N 1 0 326.400 2.789 20 5 EFBDRO CN(C)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571668 1315725530 /nfs/dbraw/zinc/72/55/30/1315725530.db2.gz ADDDFTAAMQNYDQ-IEBWSBKVSA-N 1 0 325.412 2.955 20 5 EFBDRO CCOC(=O)NC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254570596 1315725578 /nfs/dbraw/zinc/72/55/78/1315725578.db2.gz OLFXLOQWMYZWTL-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO CCC(=O)N(C)C1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254569729 1315725782 /nfs/dbraw/zinc/72/57/82/1315725782.db2.gz KIOMNYJCUAGWFG-CQSZACIVSA-N 1 0 333.432 2.859 20 5 EFBDRO COc1cc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC001254572517 1315726008 /nfs/dbraw/zinc/72/60/08/1315726008.db2.gz PKSBWQVYOXJRAX-OAHLLOKOSA-N 1 0 328.368 2.609 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573480 1315726121 /nfs/dbraw/zinc/72/61/21/1315726121.db2.gz ABKAXOHTLVFADS-GOEBONIOSA-N 1 0 347.415 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1nnc(-c3ccccc3)o1)C2 ZINC001254573391 1315726125 /nfs/dbraw/zinc/72/61/25/1315726125.db2.gz YXMAHYWNEVVSQQ-HNNXBMFYSA-N 1 0 336.351 2.902 20 5 EFBDRO COc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1O ZINC001254573073 1315726152 /nfs/dbraw/zinc/72/61/52/1315726152.db2.gz WJVGVJFRPZBOGO-HNNXBMFYSA-N 1 0 328.368 2.609 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577699 1315726466 /nfs/dbraw/zinc/72/64/66/1315726466.db2.gz GLLRJLHDNHKPOI-ROUUACIJSA-N 1 0 326.396 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001254578170 1315726522 /nfs/dbraw/zinc/72/65/22/1315726522.db2.gz JYWBRYATMJDKGF-IRXDYDNUSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C2 ZINC001254577224 1315726543 /nfs/dbraw/zinc/72/65/43/1315726543.db2.gz DLFVUWCACVHVIY-AWEZNQCLSA-N 1 0 343.349 2.678 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254578750 1315726643 /nfs/dbraw/zinc/72/66/43/1315726643.db2.gz MQEZLBBBLLNAIZ-KRWDZBQOSA-N 1 0 325.368 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC001254577547 1315726717 /nfs/dbraw/zinc/72/67/17/1315726717.db2.gz FKVBXTLGQWLBGO-DYVFJYSZSA-N 1 0 334.322 2.663 20 5 EFBDRO C[C@H](CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC001254582432 1315726848 /nfs/dbraw/zinc/72/68/48/1315726848.db2.gz ULEYNRMXBGZXCP-IUODEOHRSA-N 1 0 349.431 2.955 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581104 1315727052 /nfs/dbraw/zinc/72/70/52/1315727052.db2.gz KLBPYDDYPDJUPO-MRXNPFEDSA-N 1 0 335.367 2.652 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1CCC3(CC1)OCCO3)C2 ZINC001254582004 1315727084 /nfs/dbraw/zinc/72/70/84/1315727084.db2.gz RRGOATHTCJSHNO-KRWDZBQOSA-N 1 0 346.427 2.975 20 5 EFBDRO CC(C)(F)c1ncncc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581127 1315727112 /nfs/dbraw/zinc/72/71/12/1315727112.db2.gz KVKHEQLOYXIGIP-AWEZNQCLSA-N 1 0 330.363 2.846 20 5 EFBDRO C[C@H](CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC001254582431 1315727135 /nfs/dbraw/zinc/72/71/35/1315727135.db2.gz ULEYNRMXBGZXCP-DOMZBBRYSA-N 1 0 349.431 2.955 20 5 EFBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579940 1315727149 /nfs/dbraw/zinc/72/71/49/1315727149.db2.gz XGPRYMKVQSPUAD-QAPCUYQASA-N 1 0 337.379 2.605 20 5 EFBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584642 1315727403 /nfs/dbraw/zinc/72/74/03/1315727403.db2.gz IJTPXQURQNBXPM-KBXCAEBGSA-N 1 0 330.359 2.833 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584663 1315727554 /nfs/dbraw/zinc/72/75/54/1315727554.db2.gz SSUIXFQOYLAFTB-SOUVJXGZSA-N 1 0 347.415 2.707 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)NC(C)(C)C ZINC001254586235 1315727795 /nfs/dbraw/zinc/72/77/95/1315727795.db2.gz JATXSMAZZUOILL-ZBFHGGJFSA-N 1 0 333.432 2.591 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC001254586770 1315727812 /nfs/dbraw/zinc/72/78/12/1315727812.db2.gz SZUCHTGQOSZUFB-OAHLLOKOSA-N 1 0 328.368 2.956 20 5 EFBDRO COc1ccc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254585286 1315727850 /nfs/dbraw/zinc/72/78/50/1315727850.db2.gz DBOCUOBTINLHRH-HNNXBMFYSA-N 1 0 339.395 2.787 20 5 EFBDRO COC(=O)Cc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588412 1315727880 /nfs/dbraw/zinc/72/78/80/1315727880.db2.gz FPTOUHYGRANNLB-QGZVFWFLSA-N 1 0 340.379 2.567 20 5 EFBDRO CCOc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC001254586769 1315727931 /nfs/dbraw/zinc/72/79/31/1315727931.db2.gz SZUCHTGQOSZUFB-HNNXBMFYSA-N 1 0 328.368 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ncccc3F)CC1)C2 ZINC001254587624 1315728025 /nfs/dbraw/zinc/72/80/25/1315728025.db2.gz RJHJWUYFGFBCEM-CQSZACIVSA-N 1 0 327.359 2.918 20 5 EFBDRO O=C(CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589813 1315728477 /nfs/dbraw/zinc/72/84/77/1315728477.db2.gz RHBICQHXABEATD-INIZCTEOSA-N 1 0 325.368 2.710 20 5 EFBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592687 1315728500 /nfs/dbraw/zinc/72/85/00/1315728500.db2.gz FUKJGDWGQNNWIA-CXAGYDPISA-N 1 0 332.400 2.727 20 5 EFBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)cc(F)c1 ZINC001254589612 1315728614 /nfs/dbraw/zinc/72/86/14/1315728614.db2.gz PVCQTIOJBDRJTM-OAHLLOKOSA-N 1 0 332.306 2.813 20 5 EFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593540 1315728659 /nfs/dbraw/zinc/72/86/59/1315728659.db2.gz MSAQSQRLHBLNNM-MRXNPFEDSA-N 1 0 349.431 2.909 20 5 EFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597442 1315728961 /nfs/dbraw/zinc/72/89/61/1315728961.db2.gz DQIYUOYMJZDVRB-XJKSGUPXSA-N 1 0 332.400 2.726 20 5 EFBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598619 1315729088 /nfs/dbraw/zinc/72/90/88/1315729088.db2.gz LAKAQDLPWHSJDX-MAUKXSAKSA-N 1 0 345.443 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001254596693 1315729300 /nfs/dbraw/zinc/72/93/00/1315729300.db2.gz FGNIWXQPACWBPM-CQSZACIVSA-N 1 0 326.331 2.639 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@]1(O)C(F)(F)F ZINC001254599711 1315729761 /nfs/dbraw/zinc/72/97/61/1315729761.db2.gz PFKJDUCXZDGPCG-KMUNFCNLSA-N 1 0 344.333 2.697 20 5 EFBDRO Cc1cnccc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606319 1315730188 /nfs/dbraw/zinc/73/01/88/1315730188.db2.gz GJHMHVARPKWLHX-ROUUACIJSA-N 1 0 339.395 2.919 20 5 EFBDRO CCOC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607221 1315730672 /nfs/dbraw/zinc/73/06/72/1315730672.db2.gz JMLICFRHOHZRKU-AEFFLSMTSA-N 1 0 332.400 2.727 20 5 EFBDRO CC(=O)N(C(C)C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609264 1315731103 /nfs/dbraw/zinc/73/11/03/1315731103.db2.gz UYLBKOCIEVTOCE-IBGZPJMESA-N 1 0 345.443 2.783 20 5 EFBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611267 1315731171 /nfs/dbraw/zinc/73/11/71/1315731171.db2.gz OVYOKVZFMWYFIE-PBHICJAKSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCN(c3cccnc3)CC1)C2 ZINC001254612769 1315731629 /nfs/dbraw/zinc/73/16/29/1315731629.db2.gz YVGVLNQCZUAIPZ-IBGZPJMESA-N 1 0 338.411 2.669 20 5 EFBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC001255184396 1315788332 /nfs/dbraw/zinc/78/83/32/1315788332.db2.gz NCMUSDXUFSEQCC-MNOVXSKESA-N 1 0 342.237 2.882 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001255184391 1315788444 /nfs/dbraw/zinc/78/84/44/1315788444.db2.gz NCMUSDXUFSEQCC-GHMZBOCLSA-N 1 0 342.237 2.882 20 5 EFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001255734672 1315862737 /nfs/dbraw/zinc/86/27/37/1315862737.db2.gz VZGCVJJWBMJTCC-RYUDHWBXSA-N 1 0 344.314 2.628 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC001256083269 1315902736 /nfs/dbraw/zinc/90/27/36/1315902736.db2.gz OBLWPWXNHWSDSP-UHFFFAOYSA-N 1 0 348.428 2.819 20 5 EFBDRO CCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256082907 1315903370 /nfs/dbraw/zinc/90/33/70/1315903370.db2.gz NEBTWSICBZGPTN-UHFFFAOYSA-N 1 0 337.420 2.588 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093214 1315903671 /nfs/dbraw/zinc/90/36/71/1315903671.db2.gz IGNVOJZJILQJSZ-AWEZNQCLSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC(n3ccc([C@H](C)[NH3+])n3)CC2)ccc1[N+](=O)[O-] ZINC001256088642 1315903695 /nfs/dbraw/zinc/90/36/95/1315903695.db2.gz XRUNDQAXEOIUJY-LBPRGKRZSA-N 1 0 345.403 2.661 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@H]3C[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256086673 1315903706 /nfs/dbraw/zinc/90/37/06/1315903706.db2.gz ASOYGHVCYRLMKH-JOCQHMNTSA-N 1 0 337.395 2.910 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCCC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089766 1315903747 /nfs/dbraw/zinc/90/37/47/1315903747.db2.gz IJNZAAIXNHXWCZ-CQSZACIVSA-N 1 0 347.415 2.674 20 5 EFBDRO COc1cc(N2CCC([NH2+]CCc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC001256086624 1315903767 /nfs/dbraw/zinc/90/37/67/1315903767.db2.gz ZLUCBASYCDRRTL-UHFFFAOYSA-N 1 0 345.399 2.998 20 5 EFBDRO CC[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100350 1315904050 /nfs/dbraw/zinc/90/40/50/1315904050.db2.gz GCZHRQYOILFSJP-AWEZNQCLSA-N 1 0 349.431 2.683 20 5 EFBDRO CCCOC1CN(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256099097 1315904220 /nfs/dbraw/zinc/90/42/20/1315904220.db2.gz ILSKTDGOYODOSJ-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)CCSC)CC2)ccc1[N+](=O)[O-] ZINC001256101580 1315905059 /nfs/dbraw/zinc/90/50/59/1315905059.db2.gz OJQFCOAWYSLMEZ-UHFFFAOYSA-N 1 0 339.461 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cccnc3)CC2)cc1 ZINC000133558620 1316035004 /nfs/dbraw/zinc/03/50/04/1316035004.db2.gz QUXMBMPZEFCMJA-UHFFFAOYSA-N 1 0 326.400 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC001318503216 1328621934 /nfs/dbraw/zinc/62/19/34/1328621934.db2.gz NKWCHOBKAXQPQI-GOSISDBHSA-N 1 0 341.415 2.586 20 5 EFBDRO Cc1ccc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC001258144616 1316124367 /nfs/dbraw/zinc/12/43/67/1316124367.db2.gz DCLXVEZMWZFCHS-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637625 1316422256 /nfs/dbraw/zinc/42/22/56/1316422256.db2.gz AIDHOEWBSQCXMB-CYBMUJFWSA-N 1 0 332.379 2.922 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001261653352 1316423080 /nfs/dbraw/zinc/42/30/80/1316423080.db2.gz IFNNLZUPTLJODV-QMTHXVAHSA-N 1 0 349.822 2.968 20 5 EFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001262600641 1316474714 /nfs/dbraw/zinc/47/47/14/1316474714.db2.gz IHHSQFKKPSTXCS-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001262652917 1316477527 /nfs/dbraw/zinc/47/75/27/1316477527.db2.gz UCAMABFZUQNJGR-JTQLQIEISA-N 1 0 329.759 2.601 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001263237325 1316523431 /nfs/dbraw/zinc/52/34/31/1316523431.db2.gz IOSCUCURXPVQFZ-UHFFFAOYSA-N 1 0 345.424 2.789 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001263626945 1316552312 /nfs/dbraw/zinc/55/23/12/1316552312.db2.gz QSSQGFULRWCEMC-JSGCOSHPSA-N 1 0 336.392 2.598 20 5 EFBDRO CC(C)[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001318794484 1328703179 /nfs/dbraw/zinc/70/31/79/1328703179.db2.gz HNJXOCXMXUSKSU-KRWDZBQOSA-N 1 0 331.416 2.948 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001318923483 1328741615 /nfs/dbraw/zinc/74/16/15/1328741615.db2.gz LWVHCVLEXWNVHM-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001319215626 1328810533 /nfs/dbraw/zinc/81/05/33/1328810533.db2.gz NHUXRZYPPFEDQZ-UHFFFAOYSA-N 1 0 346.431 2.885 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001319822492 1329005223 /nfs/dbraw/zinc/00/52/23/1329005223.db2.gz RFINNLVQHFGCLE-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@@H](C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001320125012 1329089963 /nfs/dbraw/zinc/08/99/63/1329089963.db2.gz PMNOYJSDPOPUQX-GFCCVEGCSA-N 1 0 337.395 2.780 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320127926 1329090735 /nfs/dbraw/zinc/09/07/35/1329090735.db2.gz WEJFQGVTHZRXFF-ZIAGYGMSSA-N 1 0 341.358 2.676 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880242 1329313941 /nfs/dbraw/zinc/31/39/41/1329313941.db2.gz NNLGQLKDAGNCLK-NOZJJQNGSA-N 1 0 345.321 2.629 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001321282936 1329368037 /nfs/dbraw/zinc/36/80/37/1329368037.db2.gz NQVOYEWAPQJFMW-GOEBONIOSA-N 1 0 336.432 2.979 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001321283219 1329368075 /nfs/dbraw/zinc/36/80/75/1329368075.db2.gz RZUTWBHVQWSGDI-ZBFHGGJFSA-N 1 0 336.432 2.979 20 5 EFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001317703159 1328308988 /nfs/dbraw/zinc/30/89/88/1328308988.db2.gz WNKPRFVCDMZKIY-STQMWFEESA-N 1 0 343.383 2.660 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC001317777168 1328371374 /nfs/dbraw/zinc/37/13/74/1328371374.db2.gz FXGBIMJDTRCCHD-UHFFFAOYSA-N 1 0 334.420 2.581 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001317803160 1328389337 /nfs/dbraw/zinc/38/93/37/1328389337.db2.gz GZSHCGPOOMYATQ-UHFFFAOYSA-N 1 0 328.372 2.781 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cc([N+](=O)[O-])cn2C)o1 ZINC001322362639 1329452356 /nfs/dbraw/zinc/45/23/56/1329452356.db2.gz HAJDQYPGQRCVMD-LBPRGKRZSA-N 1 0 333.392 2.819 20 5 EFBDRO CN1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001322610151 1329472316 /nfs/dbraw/zinc/47/23/16/1329472316.db2.gz APHNHTHOVBVRIS-LLVKDONJSA-N 1 0 349.774 2.829 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001323052855 1329508153 /nfs/dbraw/zinc/50/81/53/1329508153.db2.gz WKVKHMSCLMNPKV-DLBZAZTESA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001323052866 1329508226 /nfs/dbraw/zinc/50/82/26/1329508226.db2.gz WKVKHMSCLMNPKV-SJORKVTESA-N 1 0 344.415 2.608 20 5 EFBDRO CC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001323608570 1329554063 /nfs/dbraw/zinc/55/40/63/1329554063.db2.gz RLELZJGKDASIRH-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001324011735 1329591153 /nfs/dbraw/zinc/59/11/53/1329591153.db2.gz WOVUGEBRXQOIPK-GOSISDBHSA-N 1 0 340.379 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CCOC3)C2)c(Br)c1 ZINC001324150596 1329603544 /nfs/dbraw/zinc/60/35/44/1329603544.db2.gz KKRRNQBCVNJWQZ-AWEZNQCLSA-N 1 0 341.205 2.970 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC001324357780 1329619722 /nfs/dbraw/zinc/61/97/22/1329619722.db2.gz JULARSHERRSWKU-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC001326056333 1329731436 /nfs/dbraw/zinc/73/14/36/1329731436.db2.gz VRWXXCGGEJNHHW-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC001326368003 1329750790 /nfs/dbraw/zinc/75/07/90/1329750790.db2.gz GZGZRBXIWMZAQS-AWEZNQCLSA-N 1 0 348.447 2.559 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC001326367256 1329750817 /nfs/dbraw/zinc/75/08/17/1329750817.db2.gz AAOAXQKKGIEVBF-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO [NH3+][C@@H](CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001327107770 1330415849 /nfs/dbraw/zinc/41/58/49/1330415849.db2.gz UNBMQINJAIJHRR-KRWDZBQOSA-N 1 0 325.368 2.917 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001327542694 1330496934 /nfs/dbraw/zinc/49/69/34/1330496934.db2.gz IFIBOEPVBHRIIE-KGLIPLIRSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1ccc([C@@H](C[NH3+])CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001327551493 1330497365 /nfs/dbraw/zinc/49/73/65/1330497365.db2.gz PPKXXRABGQGLEN-INIZCTEOSA-N 1 0 327.384 2.662 20 5 EFBDRO COc1ccc([C@H](C[NH3+])CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001327551494 1330497436 /nfs/dbraw/zinc/49/74/36/1330497436.db2.gz PPKXXRABGQGLEN-MRXNPFEDSA-N 1 0 327.384 2.662 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327913198 1330529420 /nfs/dbraw/zinc/52/94/20/1330529420.db2.gz LJONGKYPVJPIAK-AWEZNQCLSA-N 1 0 346.431 2.740 20 5 EFBDRO C[C@@H]1[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC001328555919 1330602521 /nfs/dbraw/zinc/60/25/21/1330602521.db2.gz FYZGMHPCMHEJLC-ZJUUUORDSA-N 1 0 335.795 2.720 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC001329735475 1330732089 /nfs/dbraw/zinc/73/20/89/1330732089.db2.gz UBNMULWGBIHOBQ-UHFFFAOYSA-N 1 0 347.806 2.771 20 5 EFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001331907495 1330889066 /nfs/dbraw/zinc/88/90/66/1330889066.db2.gz NQBGWYWMGGHMDM-AWEZNQCLSA-N 1 0 346.431 2.537 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331922389 1330891366 /nfs/dbraw/zinc/89/13/66/1330891366.db2.gz IZPLFSUAGJQWRY-LLVKDONJSA-N 1 0 341.770 2.698 20 5 EFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1[NH+](C)C ZINC001332251678 1330947625 /nfs/dbraw/zinc/94/76/25/1330947625.db2.gz RSSOALFQJJKVQG-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001332747125 1331015510 /nfs/dbraw/zinc/01/55/10/1331015510.db2.gz XMPGQRUCKAUVAI-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001334076669 1331246001 /nfs/dbraw/zinc/24/60/01/1331246001.db2.gz VTNCFOVWRUQLNY-JTQLQIEISA-N 1 0 326.372 2.832 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001334185230 1331262764 /nfs/dbraw/zinc/26/27/64/1331262764.db2.gz AWMODTRXLLRPIL-CZUORRHYSA-N 1 0 338.404 2.850 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Br)CC1(C)COC1 ZINC001335085270 1331334041 /nfs/dbraw/zinc/33/40/41/1331334041.db2.gz OLUDUCBLTCRXLB-UHFFFAOYSA-N 1 0 329.194 2.826 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335230357 1331335628 /nfs/dbraw/zinc/33/56/28/1331335628.db2.gz PNZFKDKWAFWFCQ-CZUORRHYSA-N 1 0 332.404 2.536 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001335396750 1331343250 /nfs/dbraw/zinc/34/32/50/1331343250.db2.gz ICNTZRDBNKYRQP-KBRIMQKVSA-N 1 0 331.416 2.546 20 5 EFBDRO COCCC1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCC1 ZINC001335478687 1331356189 /nfs/dbraw/zinc/35/61/89/1331356189.db2.gz KTYODDNUUAJXFN-UHFFFAOYSA-N 1 0 338.404 2.996 20 5 EFBDRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335512798 1331364524 /nfs/dbraw/zinc/36/45/24/1331364524.db2.gz JDAOIFNIDNJCDQ-FVQBIDKESA-N 1 0 340.445 2.598 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001335544456 1331370751 /nfs/dbraw/zinc/37/07/51/1331370751.db2.gz WEZUCUJFHYIVTI-UHFFFAOYSA-N 1 0 333.779 2.755 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336462054 1331475961 /nfs/dbraw/zinc/47/59/61/1331475961.db2.gz OZYYRRXSYIQFGW-CVEARBPZSA-N 1 0 346.431 2.772 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1[N+](=O)[O-] ZINC001336747943 1331499152 /nfs/dbraw/zinc/49/91/52/1331499152.db2.gz PGIWPSHGSISIEG-UXLLHSPISA-N 1 0 340.379 2.985 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336746813 1331499377 /nfs/dbraw/zinc/49/93/77/1331499377.db2.gz NCAOEMFBXLNRRQ-OAHLLOKOSA-N 1 0 346.431 2.727 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336984468 1331524038 /nfs/dbraw/zinc/52/40/38/1331524038.db2.gz RTFHEUOPQXEMDQ-HOTGVXAUSA-N 1 0 344.415 2.526 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001337477906 1331579318 /nfs/dbraw/zinc/57/93/18/1331579318.db2.gz AFMSJMHSRMIWOA-ZDUSSCGKSA-N 1 0 337.445 2.921 20 5 EFBDRO CCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338335885 1331694791 /nfs/dbraw/zinc/69/47/91/1331694791.db2.gz NFJFLTJKQXWQCE-UHFFFAOYSA-N 1 0 334.420 2.865 20 5 EFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001338417951 1331706230 /nfs/dbraw/zinc/70/62/30/1331706230.db2.gz JNZQZQMWPUSYDB-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO COc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338506061 1331712503 /nfs/dbraw/zinc/71/25/03/1331712503.db2.gz UOUVOLBPACHGHN-BBWFWOEESA-N 1 0 328.368 2.783 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001338689181 1331725766 /nfs/dbraw/zinc/72/57/66/1331725766.db2.gz YZKKTQKUQLMPJJ-BMFZPTHFSA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066842 1331781713 /nfs/dbraw/zinc/78/17/13/1331781713.db2.gz ZLMKBMTVQBSBET-ZDUSSCGKSA-N 1 0 334.420 2.577 20 5 EFBDRO CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001339373175 1331852163 /nfs/dbraw/zinc/85/21/63/1331852163.db2.gz RRRIVRPKILXUQT-UHFFFAOYSA-N 1 0 331.416 2.744 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001339724180 1331942763 /nfs/dbraw/zinc/94/27/63/1331942763.db2.gz IXJWZACGVDQJQK-RHSMWYFYSA-N 1 0 325.368 2.612 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340349710 1332179199 /nfs/dbraw/zinc/17/91/99/1332179199.db2.gz NUYLGZUEWUQKKY-PVAVHDDUSA-N 1 0 337.379 2.615 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001341646200 1332273364 /nfs/dbraw/zinc/27/33/64/1332273364.db2.gz XXBKJZNMOBTWGR-LEWSCRJBSA-N 1 0 335.429 2.516 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001341646198 1332273373 /nfs/dbraw/zinc/27/33/73/1332273373.db2.gz XXBKJZNMOBTWGR-GDLCADMTSA-N 1 0 335.429 2.516 20 5 EFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341658999 1332274201 /nfs/dbraw/zinc/27/42/01/1332274201.db2.gz LLIOKZWCTHUTOG-QZTJIDSGSA-N 1 0 337.379 2.618 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001341785711 1332284019 /nfs/dbraw/zinc/28/40/19/1332284019.db2.gz CYJGNTHJJVAQBR-KBAYOESNSA-N 1 0 343.427 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)nc1 ZINC001342118219 1332306954 /nfs/dbraw/zinc/30/69/54/1332306954.db2.gz IQDQNRLYBMKBPM-AWEZNQCLSA-N 1 0 348.353 2.997 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC001342154403 1332310878 /nfs/dbraw/zinc/31/08/78/1332310878.db2.gz FJOKBBZAKAQXDO-VJUNAUMWSA-N 1 0 331.416 2.674 20 5 EFBDRO CCC[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001343186179 1332341248 /nfs/dbraw/zinc/34/12/48/1332341248.db2.gz BPGYLXAXOPAVEJ-SNVBAGLBSA-N 1 0 335.795 2.770 20 5 EFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001343676422 1332368696 /nfs/dbraw/zinc/36/86/96/1332368696.db2.gz LWMPTHCOTDLOTL-LLVKDONJSA-N 1 0 325.796 2.758 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC001344447693 1332453615 /nfs/dbraw/zinc/45/36/15/1332453615.db2.gz GSNBLMBPBAKEHD-OAGGEKHMSA-N 1 0 331.416 2.830 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001344484658 1332457807 /nfs/dbraw/zinc/45/78/07/1332457807.db2.gz MFVKYVQBYVMKRP-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001344484659 1332457948 /nfs/dbraw/zinc/45/79/48/1332457948.db2.gz MFVKYVQBYVMKRP-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc2nccn21 ZINC001344595257 1332465374 /nfs/dbraw/zinc/46/53/74/1332465374.db2.gz JDIZZPWYPSNCMF-UHFFFAOYSA-N 1 0 326.312 2.641 20 5 EFBDRO COc1ccc(NC(=O)N(C)CCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC001345062890 1332506221 /nfs/dbraw/zinc/50/62/21/1332506221.db2.gz RNPFRZZUVFHXLK-UHFFFAOYSA-N 1 0 347.375 2.662 20 5 EFBDRO COc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001345084416 1332507622 /nfs/dbraw/zinc/50/76/22/1332507622.db2.gz LIDVQIPHARRBJL-FUNVUKJBSA-N 1 0 348.403 2.692 20 5 EFBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001345634575 1332554673 /nfs/dbraw/zinc/55/46/73/1332554673.db2.gz JGYUFKFPMMHOPQ-IAGOWNOFSA-N 1 0 334.347 2.745 20 5 EFBDRO COc1ccc(CC(=O)O[C@@H](C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001345974734 1332589153 /nfs/dbraw/zinc/58/91/53/1332589153.db2.gz AVTSDXCLFOPYFH-ZDUSSCGKSA-N 1 0 336.388 2.564 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001346124100 1332601575 /nfs/dbraw/zinc/60/15/75/1332601575.db2.gz ZPCHTNMONFUTGT-RDTXWAMCSA-N 1 0 329.400 2.761 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001346124095 1332601926 /nfs/dbraw/zinc/60/19/26/1332601926.db2.gz ZPCHTNMONFUTGT-KBXCAEBGSA-N 1 0 329.400 2.761 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001346122627 1332602130 /nfs/dbraw/zinc/60/21/30/1332602130.db2.gz KXAPULDCMDJGMS-APWZRJJASA-N 1 0 342.395 2.920 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001346122628 1332602138 /nfs/dbraw/zinc/60/21/38/1332602138.db2.gz KXAPULDCMDJGMS-LPHOPBHVSA-N 1 0 342.395 2.920 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001346854603 1332697166 /nfs/dbraw/zinc/69/71/66/1332697166.db2.gz DOJTXKIGEVHGSO-KGLIPLIRSA-N 1 0 349.431 2.903 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001346854604 1332697262 /nfs/dbraw/zinc/69/72/62/1332697262.db2.gz DOJTXKIGEVHGSO-UONOGXRCSA-N 1 0 349.431 2.903 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1nccn1C ZINC001347282540 1332731232 /nfs/dbraw/zinc/73/12/32/1332731232.db2.gz GPKYDYLMRARUIA-UHFFFAOYSA-N 1 0 336.779 2.573 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001347407464 1332742472 /nfs/dbraw/zinc/74/24/72/1332742472.db2.gz GNEXFTJFOKLKAZ-CYBMUJFWSA-N 1 0 334.420 2.740 20 5 EFBDRO Cc1cc(C)c(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001347985823 1332790805 /nfs/dbraw/zinc/79/08/05/1332790805.db2.gz GFWYFYBYWKKLEI-UHFFFAOYSA-N 1 0 326.356 2.832 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C)CC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC001348898062 1332881732 /nfs/dbraw/zinc/88/17/32/1332881732.db2.gz DIDHWMDCCFERHU-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001350300411 1333061057 /nfs/dbraw/zinc/06/10/57/1333061057.db2.gz ITNQEPIRTDBXSW-AWEZNQCLSA-N 1 0 348.399 2.975 20 5 EFBDRO CC(C)OC(=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847073912 1333311396 /nfs/dbraw/zinc/31/13/96/1333311396.db2.gz IEPRDXPAWQEWMO-HOTGVXAUSA-N 1 0 338.404 2.584 20 5 EFBDRO CN(CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC001351991269 1333345190 /nfs/dbraw/zinc/34/51/90/1333345190.db2.gz RZOGDRACACZZRR-UHFFFAOYSA-N 1 0 325.718 2.832 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000847256729 1333451607 /nfs/dbraw/zinc/45/16/07/1333451607.db2.gz RJBWLVOCENORSP-ZFWWWQNUSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001354265667 1334201741 /nfs/dbraw/zinc/20/17/41/1334201741.db2.gz ACBNIMNEEZIBFW-IINYFYTJSA-N 1 0 328.363 2.579 20 5 EFBDRO C[C@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001354265665 1334202270 /nfs/dbraw/zinc/20/22/70/1334202270.db2.gz ACBNIMNEEZIBFW-HZMBPMFUSA-N 1 0 328.363 2.579 20 5 EFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC001354604401 1334403810 /nfs/dbraw/zinc/40/38/10/1334403810.db2.gz RPGIOQXLBDMQEH-UWVGGRQHSA-N 1 0 329.194 2.872 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001355220339 1334719881 /nfs/dbraw/zinc/71/98/81/1334719881.db2.gz DYYAYFRJELCKPM-UWUNEBHHSA-N 1 0 339.395 2.692 20 5 EFBDRO CC(C)C[NH+]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848473972 1334734141 /nfs/dbraw/zinc/73/41/41/1334734141.db2.gz SJRKHBQUYKUAAX-UHFFFAOYSA-N 1 0 343.431 2.689 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000848531602 1334778156 /nfs/dbraw/zinc/77/81/56/1334778156.db2.gz UBQVGDPSRGKTCR-MAUKXSAKSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000848550111 1334789689 /nfs/dbraw/zinc/78/96/89/1334789689.db2.gz CMECUEAMYDMTGQ-RLFYNMQTSA-N 1 0 326.352 2.666 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557096 1334793844 /nfs/dbraw/zinc/79/38/44/1334793844.db2.gz CKWVAPUUYJQZCB-MEDUHNTESA-N 1 0 340.383 2.781 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCCC[NH2+]1 ZINC001355521478 1334808587 /nfs/dbraw/zinc/80/85/87/1334808587.db2.gz ULUPBCCZHJYSEK-LLVKDONJSA-N 1 0 343.786 2.578 20 5 EFBDRO CC[C@H](C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849002973 1335035671 /nfs/dbraw/zinc/03/56/71/1335035671.db2.gz OMMZHMOGWQOSBA-VIFPVBQESA-N 1 0 347.341 2.938 20 5 EFBDRO C[C@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001356532857 1335049425 /nfs/dbraw/zinc/04/94/25/1335049425.db2.gz NDLFFVWMGVCDDH-AWEZNQCLSA-N 1 0 346.431 2.831 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001357457121 1335308328 /nfs/dbraw/zinc/30/83/28/1335308328.db2.gz DHZOOBGPEIKHAX-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001358142744 1335363058 /nfs/dbraw/zinc/36/30/58/1335363058.db2.gz NMDDDGVQMJRRET-PXAZEXFGSA-N 1 0 325.368 2.659 20 5 EFBDRO C[NH2+]CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001358167975 1335364428 /nfs/dbraw/zinc/36/44/28/1335364428.db2.gz MKPPEZKQUGHHHD-GFCCVEGCSA-N 1 0 325.434 2.532 20 5 EFBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001358404308 1335376371 /nfs/dbraw/zinc/37/63/71/1335376371.db2.gz LYIDZDLCEDFEOL-INIZCTEOSA-N 1 0 331.416 2.647 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000160143586 712904315 /nfs/dbraw/zinc/90/43/15/712904315.db2.gz QKTUHDPDJTWTCO-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001020487773 713068538 /nfs/dbraw/zinc/06/85/38/713068538.db2.gz OLUJMPRKCGNYPN-SHTZXODSSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001020568900 713212654 /nfs/dbraw/zinc/21/26/54/713212654.db2.gz AWZJVCCDSGICJO-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001020569265 713215020 /nfs/dbraw/zinc/21/50/20/713215020.db2.gz VIAHUJYYNJFOIO-JOCQHMNTSA-N 1 0 335.429 2.583 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(C1CC1)C1CC1 ZINC001020902743 713434631 /nfs/dbraw/zinc/43/46/31/713434631.db2.gz JPGACSPBBDCICK-WKILWMFISA-N 1 0 343.427 2.768 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001021798892 714487680 /nfs/dbraw/zinc/48/76/80/714487680.db2.gz JYAQFFIZZAFEMX-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsc1 ZINC001021812539 714508854 /nfs/dbraw/zinc/50/88/54/714508854.db2.gz SOKJMWVQPMNXHM-OKILXGFUSA-N 1 0 331.397 2.707 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021815333 714515069 /nfs/dbraw/zinc/51/50/69/714515069.db2.gz KROAQBXJRRPWOL-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(Cl)c[nH]1 ZINC001021832328 714550123 /nfs/dbraw/zinc/55/01/23/714550123.db2.gz UKJJEQSWEBIFLQ-BETUJISGSA-N 1 0 348.790 2.627 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000933250780 714571137 /nfs/dbraw/zinc/57/11/37/714571137.db2.gz ZSKRZAIJUCDNRI-INIZCTEOSA-N 1 0 348.447 2.504 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001022037484 714679145 /nfs/dbraw/zinc/67/91/45/714679145.db2.gz OLGVLPZAVHTEBJ-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001022057691 714705766 /nfs/dbraw/zinc/70/57/66/714705766.db2.gz UGRJCTRVEMOGQB-IYBDPMFKSA-N 1 0 329.400 2.832 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161013942 714759305 /nfs/dbraw/zinc/75/93/05/714759305.db2.gz WQJAAFSKQLDNTR-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000933432520 714781050 /nfs/dbraw/zinc/78/10/50/714781050.db2.gz NYQFRVRLTBFDFN-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1C=CC=CC=C1 ZINC001022147099 714826471 /nfs/dbraw/zinc/82/64/71/714826471.db2.gz OLRVFNJDXVDCLX-CALCHBBNSA-N 1 0 339.395 2.630 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000891601249 714845409 /nfs/dbraw/zinc/84/54/09/714845409.db2.gz DDGFCDFWQKONID-UHFFFAOYSA-N 1 0 329.404 2.926 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000891621584 714872775 /nfs/dbraw/zinc/87/27/75/714872775.db2.gz RIYYUVJQKBPKQI-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000891648891 714899307 /nfs/dbraw/zinc/89/93/07/714899307.db2.gz VEOGWWLRTUOSQA-UHFFFAOYSA-N 1 0 349.822 2.694 20 5 EFBDRO Cc1noc(C[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575419 714900994 /nfs/dbraw/zinc/90/09/94/714900994.db2.gz AHXCIBUJDLEDAG-CQSZACIVSA-N 1 0 346.387 2.620 20 5 EFBDRO Cc1noc(C[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575417 714901164 /nfs/dbraw/zinc/90/11/64/714901164.db2.gz AHXCIBUJDLEDAG-AWEZNQCLSA-N 1 0 346.387 2.620 20 5 EFBDRO C[NH+](C)CC(C)(C)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000308608399 714941348 /nfs/dbraw/zinc/94/13/48/714941348.db2.gz MJIVBZHXXAHCRA-UHFFFAOYSA-N 1 0 330.226 2.787 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C12CCC(CC1)C2 ZINC001022289217 714970392 /nfs/dbraw/zinc/97/03/92/714970392.db2.gz SUQMMECFQDFDMA-XFROLERWSA-N 1 0 343.427 2.912 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001022297416 714983890 /nfs/dbraw/zinc/98/38/90/714983890.db2.gz VLGBAKDGZGGKGB-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934035177 715182114 /nfs/dbraw/zinc/18/21/14/715182114.db2.gz ITMHTHIKTSELHL-CHWSQXEVSA-N 1 0 334.294 2.507 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(C2CC2)CCC1 ZINC001022501176 715189308 /nfs/dbraw/zinc/18/93/08/715189308.db2.gz ONKMWFZJUWRBSO-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000134851601 715198682 /nfs/dbraw/zinc/19/86/82/715198682.db2.gz PEXZICNXTBMMOO-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001022568276 715219288 /nfs/dbraw/zinc/21/92/88/715219288.db2.gz NGACGJXMUFUMHE-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001022570514 715220078 /nfs/dbraw/zinc/22/00/78/715220078.db2.gz RTQBKLQZFCOVSJ-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000934166449 715237021 /nfs/dbraw/zinc/23/70/21/715237021.db2.gz RBKVJRHPHDTQOW-QVHKTLOISA-N 1 0 335.404 2.788 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c3OCC4)C2)nc1 ZINC000892078829 715244000 /nfs/dbraw/zinc/24/40/00/715244000.db2.gz TZKSXDQMTIRSFO-HNNXBMFYSA-N 1 0 340.383 2.611 20 5 EFBDRO COc1c(O)ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000892086529 715246043 /nfs/dbraw/zinc/24/60/43/715246043.db2.gz RHYBYQVTIKVGDQ-OAHLLOKOSA-N 1 0 349.431 2.759 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000892144445 715272890 /nfs/dbraw/zinc/27/28/90/715272890.db2.gz DDFJAFLHKGINHX-ZDUSSCGKSA-N 1 0 336.388 2.558 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)Cc1cccnc1 ZINC000934236915 715273975 /nfs/dbraw/zinc/27/39/75/715273975.db2.gz REILWRPKLWIWSC-CQSZACIVSA-N 1 0 342.399 2.848 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934237145 715274110 /nfs/dbraw/zinc/27/41/10/715274110.db2.gz UJRQBCPQDVLHBS-GXTWGEPZSA-N 1 0 342.399 2.846 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000934240254 715275603 /nfs/dbraw/zinc/27/56/03/715275603.db2.gz TURMYFNPSNLQTD-GFCCVEGCSA-N 1 0 329.356 2.577 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000934398098 715449962 /nfs/dbraw/zinc/44/99/62/715449962.db2.gz RLSNIFNJNLDWMQ-QWRGUYRKSA-N 1 0 335.429 2.672 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000893453539 715570683 /nfs/dbraw/zinc/57/06/83/715570683.db2.gz PPKDYJAZTZNNIR-UKRRQHHQSA-N 1 0 334.420 2.700 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000893455164 715576054 /nfs/dbraw/zinc/57/60/54/715576054.db2.gz ZCZSUMAXBPGSTL-UONOGXRCSA-N 1 0 334.420 2.748 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934547726 715633971 /nfs/dbraw/zinc/63/39/71/715633971.db2.gz IDPDQXQYHYXMNT-ZTFGCOKTSA-N 1 0 345.443 2.792 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000176781751 716134502 /nfs/dbraw/zinc/13/45/02/716134502.db2.gz BFEMCPPDMBMHRI-GFCCVEGCSA-N 1 0 337.395 2.894 20 5 EFBDRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001023093085 716144160 /nfs/dbraw/zinc/14/41/60/716144160.db2.gz OHUSEGSYOUTGDW-BETUJISGSA-N 1 0 348.428 2.528 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000176790553 716188212 /nfs/dbraw/zinc/18/82/12/716188212.db2.gz BSEJJFUWDPZELK-ZDUSSCGKSA-N 1 0 337.395 2.893 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccnc(N2CCCCCC2)c1 ZINC000892402058 717046968 /nfs/dbraw/zinc/04/69/68/717046968.db2.gz QUWMNSLFAJHHIY-UHFFFAOYSA-N 1 0 330.392 2.716 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925761068 717228767 /nfs/dbraw/zinc/22/87/67/717228767.db2.gz ABOGPYOATZQMOM-GFCCVEGCSA-N 1 0 328.210 2.587 20 5 EFBDRO COc1cccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1C ZINC000895468700 724149679 /nfs/dbraw/zinc/14/96/79/724149679.db2.gz ZZYIUIYBRFBGQV-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO COc1c(O)ccc(CNCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892434073 717425127 /nfs/dbraw/zinc/42/51/27/717425127.db2.gz XOMYILIFGUDTRQ-UHFFFAOYSA-N 1 0 337.420 2.663 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000925247309 724487778 /nfs/dbraw/zinc/48/77/78/724487778.db2.gz RDAFXJUICQKPAL-CJNGLKHVSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892576889 718301480 /nfs/dbraw/zinc/30/14/80/718301480.db2.gz KTARPVWWXRBNHV-QWHCGFSZSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892576891 718301817 /nfs/dbraw/zinc/30/18/17/718301817.db2.gz KTARPVWWXRBNHV-STQMWFEESA-N 1 0 337.420 2.519 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000892596066 718322283 /nfs/dbraw/zinc/32/22/83/718322283.db2.gz MVFXLEWNSCPKQD-CABCVRRESA-N 1 0 331.416 2.958 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2cccc(F)c2)c1[N+](=O)[O-] ZINC000892639333 718364360 /nfs/dbraw/zinc/36/43/60/718364360.db2.gz BQWQNWRSYHGKIR-UHFFFAOYSA-N 1 0 336.319 2.617 20 5 EFBDRO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000181168922 718405263 /nfs/dbraw/zinc/40/52/63/718405263.db2.gz YNPLKKFGWATKLL-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO COc1cc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])ccc1C ZINC000892695967 718762127 /nfs/dbraw/zinc/76/21/27/718762127.db2.gz HARLONONKVZVFN-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO O=C(CC1CC1)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981578011 718840809 /nfs/dbraw/zinc/84/08/09/718840809.db2.gz LPFWQFMXHBDMBM-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981585250 718849155 /nfs/dbraw/zinc/84/91/55/718849155.db2.gz UARUVOPEHDLWMD-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981629221 718906565 /nfs/dbraw/zinc/90/65/65/718906565.db2.gz RZTMETZJCJWICI-UHFFFAOYSA-N 1 0 331.416 2.675 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000893642222 719009105 /nfs/dbraw/zinc/00/91/05/719009105.db2.gz MTQDJCDCOMQEGX-DLBZAZTESA-N 1 0 336.388 2.604 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC)C2)cc1C ZINC000892730839 719062078 /nfs/dbraw/zinc/06/20/78/719062078.db2.gz KDTDRFBPTOTWMB-AWEZNQCLSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000252705832 719125544 /nfs/dbraw/zinc/12/55/44/719125544.db2.gz RMVKYRYIHNPMJR-JOYOIKCWSA-N 1 0 328.210 2.526 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893654199 719153007 /nfs/dbraw/zinc/15/30/07/719153007.db2.gz FPCORWUNHWYRMS-LBPRGKRZSA-N 1 0 327.768 2.569 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164632207 719178482 /nfs/dbraw/zinc/17/84/82/719178482.db2.gz DIGYNTYYYFHPJE-VHSXEESVSA-N 1 0 335.795 2.720 20 5 EFBDRO CCc1nc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cs1 ZINC000892806476 719201993 /nfs/dbraw/zinc/20/19/93/719201993.db2.gz HUAHSGKHDLUUDZ-UHFFFAOYSA-N 1 0 337.401 2.660 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000892821218 719213660 /nfs/dbraw/zinc/21/36/60/719213660.db2.gz SFHMSMPFOAVWFB-UKRRQHHQSA-N 1 0 329.404 2.651 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351507535 719243322 /nfs/dbraw/zinc/24/33/22/719243322.db2.gz BTZOGOHKKMPBJY-ZIAGYGMSSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164637257 719248450 /nfs/dbraw/zinc/24/84/50/719248450.db2.gz VDMRFWOLLYVWNV-NWDGAFQWSA-N 1 0 345.378 2.720 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164637259 719248885 /nfs/dbraw/zinc/24/88/85/719248885.db2.gz VDMRFWOLLYVWNV-VXGBXAGGSA-N 1 0 345.378 2.720 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ccsc1 ZINC001025666509 719290949 /nfs/dbraw/zinc/29/09/49/719290949.db2.gz JREUOLNWAYHGEK-ZSHCYNCHSA-N 1 0 343.408 2.517 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1ccsc1 ZINC001025667162 719290962 /nfs/dbraw/zinc/29/09/62/719290962.db2.gz VHIWNFNINHYLOA-ZSHCYNCHSA-N 1 0 343.408 2.517 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122452687 719305884 /nfs/dbraw/zinc/30/58/84/719305884.db2.gz YNQUDOYLTTZQTN-QMMMGPOBSA-N 1 0 333.157 2.875 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC001020267902 719475223 /nfs/dbraw/zinc/47/52/23/719475223.db2.gz LRTFKXDUQASBGQ-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO COc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893024167 719480696 /nfs/dbraw/zinc/48/06/96/719480696.db2.gz AXULIAVXVZWYFL-ZFWWWQNUSA-N 1 0 349.431 2.938 20 5 EFBDRO COc1ccc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893024165 719480813 /nfs/dbraw/zinc/48/08/13/719480813.db2.gz AXULIAVXVZWYFL-HIFRSBDPSA-N 1 0 349.431 2.938 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261581447 719668535 /nfs/dbraw/zinc/66/85/35/719668535.db2.gz GBBQARZCZYTTNJ-FBIMIBRVSA-N 1 0 326.194 2.531 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1[N+](=O)[O-] ZINC000893210652 720059849 /nfs/dbraw/zinc/05/98/49/720059849.db2.gz RHAOFQKTEUGSDK-CSMYWGQOSA-N 1 0 348.399 2.746 20 5 EFBDRO COCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000894002258 720216436 /nfs/dbraw/zinc/21/64/36/720216436.db2.gz VCJSWDMEWJQVBL-JSGCOSHPSA-N 1 0 338.404 2.946 20 5 EFBDRO COCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000894002257 720216584 /nfs/dbraw/zinc/21/65/84/720216584.db2.gz VCJSWDMEWJQVBL-GXTWGEPZSA-N 1 0 338.404 2.946 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCS(=O)CC2)cc(C(F)(F)F)c1 ZINC000894081927 720262788 /nfs/dbraw/zinc/26/27/88/720262788.db2.gz JXOZTWBCWIGUES-UHFFFAOYSA-N 1 0 336.335 2.614 20 5 EFBDRO Cc1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722179 720352735 /nfs/dbraw/zinc/35/27/35/720352735.db2.gz FHJGIQXULLMWOO-HOTGVXAUSA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722177 720353099 /nfs/dbraw/zinc/35/30/99/720353099.db2.gz FHJGIQXULLMWOO-CVEARBPZSA-N 1 0 339.399 2.546 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000893317143 720588080 /nfs/dbraw/zinc/58/80/80/720588080.db2.gz KDVQUCDMXZPOOW-AWEZNQCLSA-N 1 0 336.388 2.700 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893320726 720607588 /nfs/dbraw/zinc/60/75/88/720607588.db2.gz UIHDWJGMGCTDKV-KGLIPLIRSA-N 1 0 338.404 2.992 20 5 EFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])ccn1)[C@@H]2C ZINC001164862271 720922918 /nfs/dbraw/zinc/92/29/18/720922918.db2.gz VKQAGGZQERIOKV-CYBMUJFWSA-N 1 0 344.419 2.608 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453269 721114524 /nfs/dbraw/zinc/11/45/24/721114524.db2.gz NOXDXTQNDXPOAZ-UHFFFAOYSA-N 1 0 342.399 2.975 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000985640934 724744031 /nfs/dbraw/zinc/74/40/31/724744031.db2.gz BJTJKRCWPHBQLH-UHFFFAOYSA-N 1 0 349.406 2.767 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000261809580 721706683 /nfs/dbraw/zinc/70/66/83/721706683.db2.gz SFLBXUUQGVLXOY-DGCLKSJQSA-N 1 0 340.221 2.541 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000982969546 721740940 /nfs/dbraw/zinc/74/09/40/721740940.db2.gz HTUQMURJSSBRIJ-KOMQPUFPSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccs1 ZINC000983048627 721777980 /nfs/dbraw/zinc/77/79/80/721777980.db2.gz XTRCJPRNRLTMCM-MQMHXKEQSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983116997 721823786 /nfs/dbraw/zinc/82/37/86/721823786.db2.gz NMJDPURZDYYVPB-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001165035771 721888110 /nfs/dbraw/zinc/88/81/10/721888110.db2.gz QAGXDMCYYITZSV-SECBINFHSA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001165034166 721888857 /nfs/dbraw/zinc/88/88/57/721888857.db2.gz BOBUJGFPLZIAIE-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001165041258 721932609 /nfs/dbraw/zinc/93/26/09/721932609.db2.gz NEDHMNUMLZXLIN-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO CSc1nc(Cl)nc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001165041097 721934374 /nfs/dbraw/zinc/93/43/74/721934374.db2.gz HMDSUIKBPUTVNI-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165042590 721942959 /nfs/dbraw/zinc/94/29/59/721942959.db2.gz OJEXIEJZUZDOIX-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO C[NH+](C)CC1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165044830 721950235 /nfs/dbraw/zinc/95/02/35/721950235.db2.gz JEFXZMOAHMPJOU-UHFFFAOYSA-N 1 0 341.415 2.830 20 5 EFBDRO C[NH+](C)CC1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165042328 721951168 /nfs/dbraw/zinc/95/11/68/721951168.db2.gz JFNOSQOCJOCOPA-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048147 721965351 /nfs/dbraw/zinc/96/53/51/721965351.db2.gz WYUGIOCLEDGMNL-GFCCVEGCSA-N 1 0 339.827 2.883 20 5 EFBDRO COc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165049459 721969058 /nfs/dbraw/zinc/96/90/58/721969058.db2.gz TZNFXLXCVKFDCM-AWEZNQCLSA-N 1 0 334.420 2.843 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000894372862 722643724 /nfs/dbraw/zinc/64/37/24/722643724.db2.gz TZEHICKBSZEENS-LBPRGKRZSA-N 1 0 337.811 2.739 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000894456058 722742776 /nfs/dbraw/zinc/74/27/76/722742776.db2.gz KFBYDSJDWZWWDP-HNNXBMFYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894607928 722791769 /nfs/dbraw/zinc/79/17/69/722791769.db2.gz AYNCTILYXGOVSN-UKTHLTGXSA-N 1 0 343.387 2.632 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894711784 722823617 /nfs/dbraw/zinc/82/36/17/722823617.db2.gz LTMUWQXEOFEYEM-LBPRGKRZSA-N 1 0 336.388 2.748 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1[N+](=O)[O-] ZINC000894714247 722824310 /nfs/dbraw/zinc/82/43/10/722824310.db2.gz HQMJZQHDCATMRX-SFHVURJKSA-N 1 0 346.383 2.960 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc4n3CCOC4)C2)cc1 ZINC000894718814 722827406 /nfs/dbraw/zinc/82/74/06/722827406.db2.gz KOWNRNHFSVZIHW-HNNXBMFYSA-N 1 0 342.399 2.701 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000894801670 722851158 /nfs/dbraw/zinc/85/11/58/722851158.db2.gz YAGMYFOZCRNTFR-GOSISDBHSA-N 1 0 349.431 2.696 20 5 EFBDRO Cc1ccc(N2CC[NH+](CCc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000894843038 722889032 /nfs/dbraw/zinc/88/90/32/722889032.db2.gz IFAVQLPGXCJUTH-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000894967917 723038168 /nfs/dbraw/zinc/03/81/68/723038168.db2.gz QYPYQBCAJGIHBR-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCC([NH3+])CC1 ZINC000841233506 723067686 /nfs/dbraw/zinc/06/76/86/723067686.db2.gz WGCKAKPZZAVPEV-UHFFFAOYSA-N 1 0 326.784 2.982 20 5 EFBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000895962656 723068450 /nfs/dbraw/zinc/06/84/50/723068450.db2.gz GLQBAHJVOGJEPH-GFCCVEGCSA-N 1 0 325.328 2.880 20 5 EFBDRO COc1ccc([C@@H]2CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000154562257 728803358 /nfs/dbraw/zinc/80/33/58/728803358.db2.gz DFGUGJUSMPBRMX-OAHLLOKOSA-N 1 0 330.388 2.864 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC000984748226 723400140 /nfs/dbraw/zinc/40/01/40/723400140.db2.gz GDVUPOLAKPLYQM-MQMHXKEQSA-N 1 0 349.456 2.997 20 5 EFBDRO CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896822179 723509876 /nfs/dbraw/zinc/50/98/76/723509876.db2.gz ZQGAFDHCXDCXSM-UHFFFAOYSA-N 1 0 338.166 2.674 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139320369 728830656 /nfs/dbraw/zinc/83/06/56/728830656.db2.gz NZHAAXBRWSNCFJ-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000310504059 723538418 /nfs/dbraw/zinc/53/84/18/723538418.db2.gz JYVRDPJKTBYLLB-CYBMUJFWSA-N 1 0 337.420 2.888 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000181289644 728836703 /nfs/dbraw/zinc/83/67/03/728836703.db2.gz PAIFGNZUCZPPEV-JTQLQIEISA-N 1 0 334.763 2.933 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896908011 723851594 /nfs/dbraw/zinc/85/15/94/723851594.db2.gz UGJHHXZXVZWGDY-OAHLLOKOSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000895246527 723940683 /nfs/dbraw/zinc/94/06/83/723940683.db2.gz DBYJDGWJPGTRQQ-NOZJJQNGSA-N 1 0 347.246 2.948 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C2CCC2)CC1 ZINC000985199418 723967718 /nfs/dbraw/zinc/96/77/18/723967718.db2.gz UOBPUFXLLQINPF-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895274441 723968137 /nfs/dbraw/zinc/96/81/37/723968137.db2.gz JAATVFQKKFDUNP-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO Cc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000895279532 723978175 /nfs/dbraw/zinc/97/81/75/723978175.db2.gz VIYXJRKTHXDTND-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985263586 724033797 /nfs/dbraw/zinc/03/37/97/724033797.db2.gz MBOYRLHYCVLURM-UHFFFAOYSA-N 1 0 348.428 2.721 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202313 724075111 /nfs/dbraw/zinc/07/51/11/724075111.db2.gz RSWLROIVCNZKEU-LLVKDONJSA-N 1 0 335.187 2.797 20 5 EFBDRO Cc1cn(CN2CCC[C@@H]2C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728711872 724143530 /nfs/dbraw/zinc/14/35/30/724143530.db2.gz ZGRIQYOLDDFGAR-OAHLLOKOSA-N 1 0 342.399 2.688 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895748321 724293575 /nfs/dbraw/zinc/29/35/75/724293575.db2.gz LQCRBDFDQLLIFQ-QWHCGFSZSA-N 1 0 348.321 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000728900860 724877721 /nfs/dbraw/zinc/87/77/21/724877721.db2.gz VMSSDVXNTMRNRC-SFHVURJKSA-N 1 0 341.415 2.586 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238293 725028319 /nfs/dbraw/zinc/02/83/19/725028319.db2.gz QIZKYUYCBCJFQU-CZUORRHYSA-N 1 0 334.420 2.637 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000897420972 725507357 /nfs/dbraw/zinc/50/73/57/725507357.db2.gz MUFYXVISXZSFBN-UHFFFAOYSA-N 1 0 335.404 2.784 20 5 EFBDRO Cc1nn(CN2CC[NH+](CC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000064128581 725512958 /nfs/dbraw/zinc/51/29/58/725512958.db2.gz CLPLDPQIQMYEGB-UHFFFAOYSA-N 1 0 335.452 2.564 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000914218952 726176062 /nfs/dbraw/zinc/17/60/62/726176062.db2.gz KEZQGCKRDTYKCT-WQVCFCJDSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000914218949 726176108 /nfs/dbraw/zinc/17/61/08/726176108.db2.gz KEZQGCKRDTYKCT-DAXOMENPSA-N 1 0 332.404 2.582 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000897479992 726269072 /nfs/dbraw/zinc/26/90/72/726269072.db2.gz NQCRHBMOFUXZFV-OAHLLOKOSA-N 1 0 348.447 2.999 20 5 EFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006590 726975245 /nfs/dbraw/zinc/97/52/45/726975245.db2.gz OUEAINSCZJIORQ-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000907742204 726999842 /nfs/dbraw/zinc/99/98/42/726999842.db2.gz CRMHSNOSJBMVPW-LLVKDONJSA-N 1 0 343.786 2.944 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000908054264 727080048 /nfs/dbraw/zinc/08/00/48/727080048.db2.gz PYYNMVPNJFAIFE-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000915600642 727101102 /nfs/dbraw/zinc/10/11/02/727101102.db2.gz UJDWPORMWXUMBD-TYJMOYENSA-N 1 0 331.416 2.987 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908415728 727181983 /nfs/dbraw/zinc/18/19/83/727181983.db2.gz XAIPGORRNBEZMF-KCJUWKMLSA-N 1 0 329.759 2.552 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910266771 727425167 /nfs/dbraw/zinc/42/51/67/727425167.db2.gz OTIUSZQJYLIDAK-SNVBAGLBSA-N 1 0 343.786 2.944 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000910284562 727427385 /nfs/dbraw/zinc/42/73/85/727427385.db2.gz QWHAIMNUAZEKJT-QWHCGFSZSA-N 1 0 337.395 2.780 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000910294826 727431073 /nfs/dbraw/zinc/43/10/73/727431073.db2.gz JCBKTTBYHHZIKG-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473574 727543613 /nfs/dbraw/zinc/54/36/13/727543613.db2.gz SHXOVYRMQNCMCV-NSHDSACASA-N 1 0 341.358 2.611 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911830694 727604745 /nfs/dbraw/zinc/60/47/45/727604745.db2.gz QYDUAWHIYKMZAZ-OAHLLOKOSA-N 1 0 325.434 2.810 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841262 727606431 /nfs/dbraw/zinc/60/64/31/727606431.db2.gz NPFHQBKSPGHWOQ-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO CC(C)C[C@@H]([NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912151427 727664897 /nfs/dbraw/zinc/66/48/97/727664897.db2.gz WRZZYVAUZGALPJ-GFCCVEGCSA-N 1 0 327.812 2.970 20 5 EFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C12CCC2 ZINC000912602120 727729325 /nfs/dbraw/zinc/72/93/25/727729325.db2.gz SRIAMHOIOMCQPF-OLZOCXBDSA-N 1 0 337.807 2.851 20 5 EFBDRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652895 727732671 /nfs/dbraw/zinc/73/26/71/727732671.db2.gz LNUKFEPNKONTTK-GFCCVEGCSA-N 1 0 328.372 2.866 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000150854776 727734377 /nfs/dbraw/zinc/73/43/77/727734377.db2.gz VCLWSEAJRRSBNR-NSHDSACASA-N 1 0 325.384 2.748 20 5 EFBDRO COc1c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912806448 727744755 /nfs/dbraw/zinc/74/47/55/727744755.db2.gz FMMRBBJUSBTYLY-ZFWWWQNUSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000912812581 727747517 /nfs/dbraw/zinc/74/75/17/727747517.db2.gz YUZVALBWUGZDQS-WMLDXEAASA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000912813614 727748446 /nfs/dbraw/zinc/74/84/46/727748446.db2.gz LWLCXIJNPCXNQE-WCQYABFASA-N 1 0 325.434 2.849 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917082696 727764656 /nfs/dbraw/zinc/76/46/56/727764656.db2.gz ZACNOAVHEZRHKC-UONOGXRCSA-N 1 0 344.415 2.526 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000913005698 727768107 /nfs/dbraw/zinc/76/81/07/727768107.db2.gz FZRQJPDADSDSNS-SNVBAGLBSA-N 1 0 343.786 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000165216100 728022174 /nfs/dbraw/zinc/02/21/74/728022174.db2.gz RBSZBRAVHBIDHC-UHFFFAOYSA-N 1 0 343.431 2.852 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102433 728306689 /nfs/dbraw/zinc/30/66/89/728306689.db2.gz CJWVVIQHXULRTJ-SNVBAGLBSA-N 1 0 326.784 2.902 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000070709927 728357368 /nfs/dbraw/zinc/35/73/68/728357368.db2.gz IZIWRNAQIJPLER-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000131050763 728417552 /nfs/dbraw/zinc/41/75/52/728417552.db2.gz XJAXFKLGMYOYCZ-UHFFFAOYSA-N 1 0 333.775 2.898 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000172020362 728563108 /nfs/dbraw/zinc/56/31/08/728563108.db2.gz DWOVTUSYUTXFAL-LBPRGKRZSA-N 1 0 326.780 2.833 20 5 EFBDRO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000930081388 729037627 /nfs/dbraw/zinc/03/76/27/729037627.db2.gz LUZGWWCGTWKESD-LJQANCHMSA-N 1 0 326.396 2.599 20 5 EFBDRO Cc1nn(CN2CCC(CCC[NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000155059491 729073405 /nfs/dbraw/zinc/07/34/05/729073405.db2.gz UGRNTFODHODCDV-UHFFFAOYSA-N 1 0 349.479 2.954 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000155061436 729074011 /nfs/dbraw/zinc/07/40/11/729074011.db2.gz FYVJCTDQZAJDFC-UHFFFAOYSA-N 1 0 346.431 2.576 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920745592 729222586 /nfs/dbraw/zinc/22/25/86/729222586.db2.gz ZXFDWLYVVBLKHG-FZXWVIKQSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920745593 729222690 /nfs/dbraw/zinc/22/26/90/729222690.db2.gz ZXFDWLYVVBLKHG-IKQZUGGXSA-N 1 0 331.416 2.845 20 5 EFBDRO Cn1c(C(=O)NCCCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000921088946 729258787 /nfs/dbraw/zinc/25/87/87/729258787.db2.gz UEJDBEDQELWSNY-UHFFFAOYSA-N 1 0 336.436 2.709 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921384768 729301945 /nfs/dbraw/zinc/30/19/45/729301945.db2.gz WZBMFWCTCNKYEH-YRGRVCCFSA-N 1 0 332.404 2.580 20 5 EFBDRO Cc1cn(CN2CC[C@H](C)[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000174960946 729469050 /nfs/dbraw/zinc/46/90/50/729469050.db2.gz IVMQEYUAYGMAJL-JSGCOSHPSA-N 1 0 330.388 2.543 20 5 EFBDRO CCC[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000179673317 729607627 /nfs/dbraw/zinc/60/76/27/729607627.db2.gz QZCCPGIOHYCIHH-MRXNPFEDSA-N 1 0 339.411 2.667 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000237727960 729615711 /nfs/dbraw/zinc/61/57/11/729615711.db2.gz MIWOCLMJLYDDJQ-UHFFFAOYSA-N 1 0 334.420 2.528 20 5 EFBDRO CCCC[N@H+](CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068619979 729733266 /nfs/dbraw/zinc/73/32/66/729733266.db2.gz MXGCILJXWNWCKZ-UHFFFAOYSA-N 1 0 333.392 2.559 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068975121 729767940 /nfs/dbraw/zinc/76/79/40/729767940.db2.gz AZPRHABPHBKSSZ-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000873190698 1126118121 /nfs/dbraw/zinc/11/81/21/1126118121.db2.gz CNEIHAHQIZUEOF-INIZCTEOSA-N 1 0 336.413 2.748 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873191052 1126118812 /nfs/dbraw/zinc/11/88/12/1126118812.db2.gz OVHDKEGDWUUKLU-LJQANCHMSA-N 1 0 344.411 2.995 20 5 EFBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)C[NH2+]1 ZINC001573721128 1087883922 /nfs/dbraw/zinc/88/39/22/1087883922.db2.gz XJFHUIWGDRZLFM-MNOVXSKESA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc([N+](=O)[O-])cc1F ZINC001575099485 1088242746 /nfs/dbraw/zinc/24/27/46/1088242746.db2.gz KMPMGTYSOURRCK-SFHVURJKSA-N 1 0 349.406 2.756 20 5 EFBDRO CC(C)(C(=O)N1C[C@H]2CCCC[C@]2(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001575101443 1088243420 /nfs/dbraw/zinc/24/34/20/1088243420.db2.gz ZHGZEZGOYMIDBH-BEFAXECRSA-N 1 0 345.443 2.850 20 5 EFBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001575112684 1088249546 /nfs/dbraw/zinc/24/95/46/1088249546.db2.gz IPXDYJDNIRTCDC-ZDUSSCGKSA-N 1 0 327.812 2.670 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576082075 1088912660 /nfs/dbraw/zinc/91/26/60/1088912660.db2.gz UIEZISCDCJRGTO-INIZCTEOSA-N 1 0 333.775 2.739 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001576110386 1088938268 /nfs/dbraw/zinc/93/82/68/1088938268.db2.gz YUASUMCKTCHRIJ-NHYWBVRUSA-N 1 0 343.387 2.877 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001576110384 1088938830 /nfs/dbraw/zinc/93/88/30/1088938830.db2.gz YUASUMCKTCHRIJ-ABAIWWIYSA-N 1 0 343.387 2.877 20 5 EFBDRO C[C@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176306 1088979502 /nfs/dbraw/zinc/97/95/02/1088979502.db2.gz VGVDBCQAEANOCT-DYZYQPBXSA-N 1 0 349.337 2.924 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576212887 1089013392 /nfs/dbraw/zinc/01/33/92/1089013392.db2.gz MDTLJYSUMGAJSC-SSKCKEOISA-N 1 0 340.383 2.580 20 5 EFBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576239853 1089036474 /nfs/dbraw/zinc/03/64/74/1089036474.db2.gz SRUNVSZIWUTLHS-BXUZGUMPSA-N 1 0 343.387 2.580 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001576468770 1089273187 /nfs/dbraw/zinc/27/31/87/1089273187.db2.gz CUDSPJAYMKSPDD-INIZCTEOSA-N 1 0 341.415 2.752 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC001576647577 1089376649 /nfs/dbraw/zinc/37/66/49/1089376649.db2.gz HEHBUWGOUHHRFJ-CKYFFXLPSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001576681942 1089392073 /nfs/dbraw/zinc/39/20/73/1089392073.db2.gz QHQCDDIHYZRGJT-BLBBIFAFSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001576681943 1089393229 /nfs/dbraw/zinc/39/32/29/1089393229.db2.gz QHQCDDIHYZRGJT-BUIXCFAXSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576681590 1089393256 /nfs/dbraw/zinc/39/32/56/1089393256.db2.gz JVMAYNUIGXQAMR-MEBBXXQBSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001576682244 1089395199 /nfs/dbraw/zinc/39/51/99/1089395199.db2.gz VDOCOQFDBLLFAU-BJOHPYRUSA-N 1 0 327.331 2.510 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001576682246 1089395449 /nfs/dbraw/zinc/39/54/49/1089395449.db2.gz VDOCOQFDBLLFAU-RFAUZJTJSA-N 1 0 327.331 2.510 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001576748765 1089435298 /nfs/dbraw/zinc/43/52/98/1089435298.db2.gz NLTUMVLJTJRDDT-XLDPMVHQSA-N 1 0 348.266 2.895 20 5 EFBDRO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC001576807628 1089469609 /nfs/dbraw/zinc/46/96/09/1089469609.db2.gz SHYYDOQNKDWIPG-OCAPTIKFSA-N 1 0 334.239 2.601 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001576883063 1089504629 /nfs/dbraw/zinc/50/46/29/1089504629.db2.gz SNSSNNBSJPQILS-GARJFASQSA-N 1 0 342.237 2.928 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001577071640 1089631300 /nfs/dbraw/zinc/63/13/00/1089631300.db2.gz QQJCWNLAHASVFN-UHFFFAOYSA-N 1 0 339.355 2.678 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577096561 1089652024 /nfs/dbraw/zinc/65/20/24/1089652024.db2.gz QUKZBCIZWYZMID-UNEWFSDZSA-N 1 0 333.432 2.749 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001577096658 1089652456 /nfs/dbraw/zinc/65/24/56/1089652456.db2.gz UAKQEYRXXXIATG-OAHLLOKOSA-N 1 0 345.443 2.812 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001577096637 1089652579 /nfs/dbraw/zinc/65/25/79/1089652579.db2.gz SNUCQZLDOVWXLL-HNNXBMFYSA-N 1 0 331.416 2.518 20 5 EFBDRO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH3+] ZINC001577448831 1089975839 /nfs/dbraw/zinc/97/58/39/1089975839.db2.gz ZXIISTMHCOVYMT-UHFFFAOYSA-N 1 0 346.435 2.827 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC001577492533 1090007330 /nfs/dbraw/zinc/00/73/30/1090007330.db2.gz WHYVLICKCBSMHY-GFCCVEGCSA-N 1 0 345.321 2.828 20 5 EFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH2+]C)C(C)C ZINC001577745065 1090163532 /nfs/dbraw/zinc/16/35/32/1090163532.db2.gz APWPFPGHJIPUFU-UHFFFAOYSA-N 1 0 346.435 2.698 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC001577902291 1090209901 /nfs/dbraw/zinc/20/99/01/1090209901.db2.gz MIUOWILCALTKEU-IUODEOHRSA-N 1 0 334.420 2.616 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC001578056849 1090240707 /nfs/dbraw/zinc/24/07/07/1090240707.db2.gz ZYOXMLSAYDULTK-OAHLLOKOSA-N 1 0 333.388 2.634 20 5 EFBDRO CCOc1cc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1[N+](=O)[O-] ZINC001578168595 1090287302 /nfs/dbraw/zinc/28/73/02/1090287302.db2.gz YDMFALCMHDDSBK-QGZVFWFLSA-N 1 0 348.403 2.743 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001578171812 1090288302 /nfs/dbraw/zinc/28/83/02/1090288302.db2.gz WPKILYXPUSBMES-KBXCAEBGSA-N 1 0 347.415 2.585 20 5 EFBDRO CC[C@H](NC(=O)N1CCCCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578233228 1090314399 /nfs/dbraw/zinc/31/43/99/1090314399.db2.gz VVGSRHPALTUDPF-HOCLYGCPSA-N 1 0 334.420 2.959 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001578275758 1090328160 /nfs/dbraw/zinc/32/81/60/1090328160.db2.gz YPMKJYSIXARSCQ-HNNXBMFYSA-N 1 0 345.399 2.661 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001578275268 1090328270 /nfs/dbraw/zinc/32/82/70/1090328270.db2.gz GDMYXJBCKNLUDN-MRXNPFEDSA-N 1 0 343.383 2.596 20 5 EFBDRO CN(CCCCCC[NH3+])C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001578465299 1090379352 /nfs/dbraw/zinc/37/93/52/1090379352.db2.gz ZEGGXRKXQNPRFW-UHFFFAOYSA-N 1 0 327.812 2.768 20 5 EFBDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001578622349 1090411306 /nfs/dbraw/zinc/41/13/06/1090411306.db2.gz SEDLPIBNCMQRKF-CQSZACIVSA-N 1 0 327.384 2.984 20 5 EFBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001578675439 1090418039 /nfs/dbraw/zinc/41/80/39/1090418039.db2.gz NPFMMYNTBNWAEN-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001578859074 1090455297 /nfs/dbraw/zinc/45/52/97/1090455297.db2.gz CXDHZFQTZPOZBG-OAHLLOKOSA-N 1 0 349.387 2.618 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001578859073 1090455507 /nfs/dbraw/zinc/45/55/07/1090455507.db2.gz CXDHZFQTZPOZBG-HNNXBMFYSA-N 1 0 349.387 2.618 20 5 EFBDRO COc1c(O)ccc(CN2C[C@H]([NH3+])CCc3ccccc32)c1[N+](=O)[O-] ZINC001579136130 1090522823 /nfs/dbraw/zinc/52/28/23/1090522823.db2.gz AKOBLFXWGWXIKU-CQSZACIVSA-N 1 0 343.383 2.589 20 5 EFBDRO COc1cc(CN2C[C@@H](C[NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC001579150988 1090527842 /nfs/dbraw/zinc/52/78/42/1090527842.db2.gz ZXYZCKFNEYOIKE-GFCCVEGCSA-N 1 0 345.374 2.880 20 5 EFBDRO COc1cc(CNC[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579152795 1090528397 /nfs/dbraw/zinc/52/83/97/1090528397.db2.gz IBYZQZOXZGKHDJ-ZDUSSCGKSA-N 1 0 345.399 2.619 20 5 EFBDRO COc1cc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)cc1[N+](=O)[O-] ZINC001579159786 1090531099 /nfs/dbraw/zinc/53/10/99/1090531099.db2.gz DVYYELZGRCVJKW-BONVTDFDSA-N 1 0 325.796 2.822 20 5 EFBDRO COc1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001579227770 1090551031 /nfs/dbraw/zinc/55/10/31/1090551031.db2.gz FAMARUPSUYRBOO-KTXOBNNYSA-N 1 0 341.367 2.601 20 5 EFBDRO COc1ccc(OCCN(C)C2(C[NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC001579233065 1090553138 /nfs/dbraw/zinc/55/31/38/1090553138.db2.gz COJDPZVYTOXDBZ-UHFFFAOYSA-N 1 0 337.420 2.576 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001579241726 1090558041 /nfs/dbraw/zinc/55/80/41/1090558041.db2.gz FQXGIRVXHNOQBG-BBRMVZONSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@@H]([C@H](C)[NH3+])C3)c2c1 ZINC001579257382 1090563343 /nfs/dbraw/zinc/56/33/43/1090563343.db2.gz DOJHVUORUZOUKR-NWDGAFQWSA-N 1 0 330.388 2.715 20 5 EFBDRO C[C@@H](NC(=O)C1(C(F)(F)F)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001579406577 1090606547 /nfs/dbraw/zinc/60/65/47/1090606547.db2.gz RJWKCNYLFRYSCX-SNVBAGLBSA-N 1 0 345.321 2.704 20 5 EFBDRO Cc1c(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579524515 1090626066 /nfs/dbraw/zinc/62/60/66/1090626066.db2.gz OXZARGBGYGNYRX-AWEZNQCLSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001579537542 1090629258 /nfs/dbraw/zinc/62/92/58/1090629258.db2.gz WQDCIDJSPSJXKO-GFCCVEGCSA-N 1 0 343.358 2.820 20 5 EFBDRO Cc1c(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539146 1090629652 /nfs/dbraw/zinc/62/96/52/1090629652.db2.gz BUAIEJRMJYENGS-VIFPVBQESA-N 1 0 346.309 2.748 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001579577120 1090636785 /nfs/dbraw/zinc/63/67/85/1090636785.db2.gz IFKVLLGKOWGQOL-UNEWFSDZSA-N 1 0 347.415 2.697 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001579604843 1090641245 /nfs/dbraw/zinc/64/12/45/1090641245.db2.gz ADWFTICJIHLPPI-UWVGGRQHSA-N 1 0 326.784 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001579605265 1090641349 /nfs/dbraw/zinc/64/13/49/1090641349.db2.gz NASYMNUDEVIRFA-UHFFFAOYSA-N 1 0 337.807 2.772 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC001579605753 1090641915 /nfs/dbraw/zinc/64/19/15/1090641915.db2.gz YBHPFYOGLAWQII-RISCZKNCSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(CN)CCCC[C@@H]1C ZINC001579642337 1090649005 /nfs/dbraw/zinc/64/90/05/1090649005.db2.gz AMJCRKMGVBFIIL-KSSFIOAISA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC001579667571 1090657547 /nfs/dbraw/zinc/65/75/47/1090657547.db2.gz NSTOOIIZQHKXAE-ZDUSSCGKSA-N 1 0 334.420 2.925 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579733737 1090673654 /nfs/dbraw/zinc/67/36/54/1090673654.db2.gz AHFSRYZAOKICAO-DYVFJYSZSA-N 1 0 332.404 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1 ZINC001579734333 1090674060 /nfs/dbraw/zinc/67/40/60/1090674060.db2.gz FAXLWZSZPFAQRG-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1sc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579933913 1090725920 /nfs/dbraw/zinc/72/59/20/1090725920.db2.gz BIVJGSHNTUXNAV-RNCFNFMXSA-N 1 0 346.412 2.963 20 5 EFBDRO [NH3+][C@H](CC1CC1)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001580122247 1090779809 /nfs/dbraw/zinc/77/98/09/1090779809.db2.gz QCTNNOGTVLEZCM-BXKDBHETSA-N 1 0 349.284 2.581 20 5 EFBDRO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001580122250 1090780231 /nfs/dbraw/zinc/78/02/31/1090780231.db2.gz QCTNNOGTVLEZCM-CABZTGNLSA-N 1 0 349.284 2.581 20 5 EFBDRO [NH3+][C@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001580128200 1090782831 /nfs/dbraw/zinc/78/28/31/1090782831.db2.gz SEAPJCYTZANNFW-SDMNGIDPSA-N 1 0 339.395 2.684 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC001580151112 1090790566 /nfs/dbraw/zinc/79/05/66/1090790566.db2.gz ONMZLUIAETWKJW-UHFFFAOYSA-N 1 0 327.340 2.608 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001580158876 1090793428 /nfs/dbraw/zinc/79/34/28/1090793428.db2.gz ZLKWHMVOMLCTHU-TZMCWYRMSA-N 1 0 329.322 2.927 20 5 EFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001580170615 1090799082 /nfs/dbraw/zinc/79/90/82/1090799082.db2.gz WTISGUFCYLIWNI-GUBZILKMSA-N 1 0 333.779 2.507 20 5 EFBDRO [NH3+]C1CCC2(CC1)CN(c1c3ccccc3ncc1[N+](=O)[O-])CCO2 ZINC001580173486 1090799631 /nfs/dbraw/zinc/79/96/31/1090799631.db2.gz SOCIPWGOYOPFKH-UHFFFAOYSA-N 1 0 342.399 2.620 20 5 EFBDRO [NH3+]C1CCN(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001580189273 1090805424 /nfs/dbraw/zinc/80/54/24/1090805424.db2.gz KZCFNGIXQGVBLV-UHFFFAOYSA-N 1 0 333.219 2.737 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC001580206904 1090810673 /nfs/dbraw/zinc/81/06/73/1090810673.db2.gz NWKGWEMZKPPBJY-BXKDBHETSA-N 1 0 339.264 2.585 20 5 EFBDRO Nc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001580227833 1090819521 /nfs/dbraw/zinc/81/95/21/1090819521.db2.gz BZHNFUJCMCQCAY-OAHLLOKOSA-N 1 0 342.399 2.578 20 5 EFBDRO [NH3+]CC1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001580240769 1090826385 /nfs/dbraw/zinc/82/63/85/1090826385.db2.gz PAFUQFHCGYWBEG-HNNXBMFYSA-N 1 0 331.416 2.820 20 5 EFBDRO [NH3+]C[C@@]12CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001580252498 1090833206 /nfs/dbraw/zinc/83/32/06/1090833206.db2.gz BIMUAAQTARYUMY-BZNIZROVSA-N 1 0 337.807 2.839 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001580322236 1090862787 /nfs/dbraw/zinc/86/27/87/1090862787.db2.gz KQCBHQSTLVAELE-JTQLQIEISA-N 1 0 331.294 2.567 20 5 EFBDRO [NH3+][C@H]1C[C@@](C(=O)N2CCc3c2cccc3[N+](=O)[O-])(c2ccccc2)C1 ZINC001580426547 1090894982 /nfs/dbraw/zinc/89/49/82/1090894982.db2.gz WZMPWYIFKAGXDQ-QUWSVYMGSA-N 1 0 337.379 2.543 20 5 EFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580481244 1090914675 /nfs/dbraw/zinc/91/46/75/1090914675.db2.gz IEJCLQBKZXYPBK-SNPRPXQTSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N(C1CCC1)C1C[NH2+]C1 ZINC001580544630 1090941547 /nfs/dbraw/zinc/94/15/47/1090941547.db2.gz IXDSNCHOQXNUQO-UHFFFAOYSA-N 1 0 337.807 2.534 20 5 EFBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580596574 1090962236 /nfs/dbraw/zinc/96/22/36/1090962236.db2.gz IZGIHVXNKLAGGC-JSGCOSHPSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001580761653 1090999294 /nfs/dbraw/zinc/99/92/94/1090999294.db2.gz VPGRFYDHZKDFGV-MNOVXSKESA-N 1 0 341.314 2.665 20 5 EFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001580810513 1091016432 /nfs/dbraw/zinc/01/64/32/1091016432.db2.gz YJSVLALCZYQFIC-SFHVURJKSA-N 1 0 342.399 2.682 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580821184 1091020607 /nfs/dbraw/zinc/02/06/07/1091020607.db2.gz QDHTYSFPTRKYAZ-VXGBXAGGSA-N 1 0 337.807 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1-c1ccc(F)cc1 ZINC001580876042 1091030800 /nfs/dbraw/zinc/03/08/00/1091030800.db2.gz YCSQALFRROWWHM-WDNDVIMCSA-N 1 0 328.347 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cn(C[C@H]3CC4(CO3)CC[NH2+]CC4)cn2)cc1 ZINC001580874982 1091031314 /nfs/dbraw/zinc/03/13/14/1091031314.db2.gz SFRDJLBIKHZORH-MRXNPFEDSA-N 1 0 342.399 2.617 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001580874961 1091031335 /nfs/dbraw/zinc/03/13/35/1091031335.db2.gz QRIWKARRNOIMDB-YGRLFVJLSA-N 1 0 329.322 2.797 20 5 EFBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@@H]1C[NH2+]CCC1(F)F ZINC001580875147 1091031393 /nfs/dbraw/zinc/03/13/93/1091031393.db2.gz BAVBQGKCBKGTCU-GFCCVEGCSA-N 1 0 342.733 2.627 20 5 EFBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)nc2sccn21 ZINC001580874577 1091031532 /nfs/dbraw/zinc/03/15/32/1091031532.db2.gz BUYRXZTUJNFPEB-CHWSQXEVSA-N 1 0 343.412 2.862 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001104425252 1093013310 /nfs/dbraw/zinc/01/33/10/1093013310.db2.gz WCJZRSHSSREJCY-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001589965765 1093199940 /nfs/dbraw/zinc/19/99/40/1093199940.db2.gz PXGCUGKXJZEHHY-SECBINFHSA-N 1 0 330.373 2.687 20 5 EFBDRO C[C@@H]([NH2+]Cc1csc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589972973 1093204860 /nfs/dbraw/zinc/20/48/60/1093204860.db2.gz VRSDASSHFGFVRR-SECBINFHSA-N 1 0 330.373 2.687 20 5 EFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590189660 1093298098 /nfs/dbraw/zinc/29/80/98/1093298098.db2.gz WLZKOARPGBBJCT-WOPDTQHZSA-N 1 0 330.392 2.641 20 5 EFBDRO CCOC(=O)C(C=Nc1ccccc1C[N+](C)(C)CC)C(=O)OCC ZINC001167660284 1093301395 /nfs/dbraw/zinc/30/13/95/1093301395.db2.gz IQMFFEOYPKKXMD-UHFFFAOYSA-O 1 0 349.451 2.705 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590245013 1093331993 /nfs/dbraw/zinc/33/19/93/1093331993.db2.gz XPOZKQKWBORAAL-NWDGAFQWSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001590307013 1093367079 /nfs/dbraw/zinc/36/70/79/1093367079.db2.gz DAZBMFOTEXHUNL-JMSVASOKSA-N 1 0 342.403 2.785 20 5 EFBDRO CCC(CC)[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001590433022 1093420767 /nfs/dbraw/zinc/42/07/67/1093420767.db2.gz WDYIECOSWUERNG-CQSZACIVSA-N 1 0 347.423 2.553 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001590687409 1093548297 /nfs/dbraw/zinc/54/82/97/1093548297.db2.gz MWRJPKATKPELNA-GFCCVEGCSA-N 1 0 347.423 2.697 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC001591119580 1093662178 /nfs/dbraw/zinc/66/21/78/1093662178.db2.gz QRGKWCGHBJOLSN-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH2+]C1(C2CCC2)CCC1 ZINC001593467015 1094309983 /nfs/dbraw/zinc/30/99/83/1094309983.db2.gz JWZXTCOVNWKLDB-UHFFFAOYSA-N 1 0 328.376 2.587 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001593483137 1094325435 /nfs/dbraw/zinc/32/54/35/1094325435.db2.gz VRYFJFRJMKTTET-RISCZKNCSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+]C1(c2ccccc2)CC1 ZINC001593480448 1094326118 /nfs/dbraw/zinc/32/61/18/1094326118.db2.gz ACNKZMRGRBITOC-UHFFFAOYSA-N 1 0 336.355 2.554 20 5 EFBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167675879 1094344554 /nfs/dbraw/zinc/34/45/54/1094344554.db2.gz RSDVLSPDYHZTNX-UHFFFAOYSA-N 1 0 335.367 2.694 20 5 EFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218393199 1094455784 /nfs/dbraw/zinc/45/57/84/1094455784.db2.gz SXCYKMDFMYGJLM-HQJQHLMTSA-N 1 0 327.178 2.585 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCc1c(OC)ncnc1OC ZINC001167684089 1094623974 /nfs/dbraw/zinc/62/39/74/1094623974.db2.gz QIRZZKJKHUKUEN-UHFFFAOYSA-N 1 0 331.440 2.702 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217970696 1095159201 /nfs/dbraw/zinc/15/92/01/1095159201.db2.gz BNROEZPXVODBFH-BXKDBHETSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217970700 1095161182 /nfs/dbraw/zinc/16/11/82/1095161182.db2.gz BNROEZPXVODBFH-SKDRFNHKSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1ccc2c(ccnc2NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC001167832379 1095262827 /nfs/dbraw/zinc/26/28/27/1095262827.db2.gz HEBGAWJSGUMEIO-UHFFFAOYSA-N 1 0 332.429 2.912 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001217990162 1095307120 /nfs/dbraw/zinc/30/71/20/1095307120.db2.gz HWGUSXWITNCWHH-QPUJVOFHSA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1nc(O[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001217990160 1095307561 /nfs/dbraw/zinc/30/75/61/1095307561.db2.gz HWGUSXWITNCWHH-PELKAZGASA-N 1 0 344.209 2.828 20 5 EFBDRO C[NH2+]CCNc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001167724735 1095687245 /nfs/dbraw/zinc/68/72/45/1095687245.db2.gz UPRVKYYZIFCJBK-UHFFFAOYSA-N 1 0 339.808 2.821 20 5 EFBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])cc(Br)n2)c2ccccc12 ZINC001167697617 1095985198 /nfs/dbraw/zinc/98/51/98/1095985198.db2.gz ICGPUMWSWIXUQS-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CC[C@H]2F)c(F)cc1Br ZINC001218319983 1096119574 /nfs/dbraw/zinc/11/95/74/1096119574.db2.gz QVRYLJLGBNPBJF-HQJQHLMTSA-N 1 0 337.120 2.575 20 5 EFBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603243762 1096482536 /nfs/dbraw/zinc/48/25/36/1096482536.db2.gz HPWBLKGGRACGNZ-AWEZNQCLSA-N 1 0 330.392 2.785 20 5 EFBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603245716 1096483666 /nfs/dbraw/zinc/48/36/66/1096483666.db2.gz LMHCMHACCOFLSZ-CYBMUJFWSA-N 1 0 330.392 2.643 20 5 EFBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C2)C1 ZINC001603880089 1096654037 /nfs/dbraw/zinc/65/40/37/1096654037.db2.gz DQHFHPDLBUPIBT-YVEFUNNKSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603937314 1096673482 /nfs/dbraw/zinc/67/34/82/1096673482.db2.gz RKUCNMDLCAPHKI-LLVKDONJSA-N 1 0 330.392 2.643 20 5 EFBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604102306 1096737797 /nfs/dbraw/zinc/73/77/97/1096737797.db2.gz AAHGFLBPDFUQGK-GFCCVEGCSA-N 1 0 330.392 2.787 20 5 EFBDRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001605440739 1097126200 /nfs/dbraw/zinc/12/62/00/1097126200.db2.gz MMVCHEYWKSETEM-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1Br ZINC001225503960 1097447124 /nfs/dbraw/zinc/44/71/24/1097447124.db2.gz IYCCKQDTVMXLKO-ZDUSSCGKSA-N 1 0 327.178 2.830 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC001607076752 1097505777 /nfs/dbraw/zinc/50/57/77/1097505777.db2.gz BDKQKJZAFYBHBK-UHFFFAOYSA-N 1 0 328.376 2.539 20 5 EFBDRO Cc1cc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC001167945118 1097858333 /nfs/dbraw/zinc/85/83/33/1097858333.db2.gz UHMSYEWLPXFCHN-LBPRGKRZSA-N 1 0 338.408 2.549 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4nc5ccccc5nc43)[C@@H]2C1 ZINC001269505110 1098193575 /nfs/dbraw/zinc/19/35/75/1098193575.db2.gz XEODQBXAYPGBLP-SCLBCKFNSA-N 1 0 332.407 2.559 20 5 EFBDRO CCC[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001609206533 1098199260 /nfs/dbraw/zinc/19/92/60/1098199260.db2.gz CLRDHFCTJZJCKA-LBPRGKRZSA-N 1 0 330.392 2.787 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+](CC1CC1)CC1CCC1 ZINC001609599908 1098394284 /nfs/dbraw/zinc/39/42/84/1098394284.db2.gz HPTWNJPTQLOQTN-UHFFFAOYSA-N 1 0 342.403 2.787 20 5 EFBDRO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001167754072 1098825836 /nfs/dbraw/zinc/82/58/36/1098825836.db2.gz URXKSJWHZYKZFI-CQSZACIVSA-N 1 0 349.431 2.987 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000843769026 1099758885 /nfs/dbraw/zinc/75/88/85/1099758885.db2.gz AZROOWARDBXJIR-GFCCVEGCSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525639 1100212824 /nfs/dbraw/zinc/21/28/24/1100212824.db2.gz JJOSISFCSKNNJA-KPZWWZAWSA-N 1 0 348.447 2.726 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000843780856 1100571104 /nfs/dbraw/zinc/57/11/04/1100571104.db2.gz SGNULPFDLAOIDR-UHFFFAOYSA-N 1 0 332.335 2.785 20 5 EFBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840369408 1101032337 /nfs/dbraw/zinc/03/23/37/1101032337.db2.gz LWPSITJNPNERQF-AWEZNQCLSA-N 1 0 326.400 2.888 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(N(Cc2ccccc2)C2(C[NH3+])COC2)c1F ZINC001167378199 1101316805 /nfs/dbraw/zinc/31/68/05/1101316805.db2.gz GVAQQPGJSCRZHO-UHFFFAOYSA-N 1 0 345.374 2.777 20 5 EFBDRO COc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001167087279 1101550200 /nfs/dbraw/zinc/55/02/00/1101550200.db2.gz RCEIUWOTUUVFLP-UHFFFAOYSA-N 1 0 342.330 2.727 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c1C ZINC001167100089 1101669941 /nfs/dbraw/zinc/66/99/41/1101669941.db2.gz OQZAYUUBOIJRHG-UHFFFAOYSA-N 1 0 346.778 2.713 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000840776251 1101671494 /nfs/dbraw/zinc/67/14/94/1101671494.db2.gz HWMWMTPCUAWCHJ-IAGOWNOFSA-N 1 0 334.416 2.765 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC001167167020 1101973546 /nfs/dbraw/zinc/97/35/46/1101973546.db2.gz CDODQGPPGQAGEF-UHFFFAOYSA-N 1 0 349.406 2.721 20 5 EFBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c1 ZINC001167304995 1102459096 /nfs/dbraw/zinc/45/90/96/1102459096.db2.gz HYQNGTUXBSCARI-UHFFFAOYSA-N 1 0 344.762 2.713 20 5 EFBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])cc(Br)n2)c1 ZINC001167311139 1102506204 /nfs/dbraw/zinc/50/62/04/1102506204.db2.gz CVIRGFFJZQIDAB-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CCC[NH2+]3)C2)ccc1Br ZINC000841107098 1102984326 /nfs/dbraw/zinc/98/43/26/1102984326.db2.gz UZOFVEYPWRACJF-CQSZACIVSA-N 1 0 340.221 2.685 20 5 EFBDRO COc1ccc(F)cc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905479810 1103214065 /nfs/dbraw/zinc/21/40/65/1103214065.db2.gz SZVKLQXMTZGPNM-INIZCTEOSA-N 1 0 334.347 2.608 20 5 EFBDRO C[N@H+](Cc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1)C(C)(C)C ZINC000905807933 1103625114 /nfs/dbraw/zinc/62/51/14/1103625114.db2.gz CFNNUOZHVKAXDT-UHFFFAOYSA-N 1 0 339.346 2.743 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000905984383 1103791384 /nfs/dbraw/zinc/79/13/84/1103791384.db2.gz LYAKHNVSEDGPEU-WOPDTQHZSA-N 1 0 337.445 2.870 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906635576 1104387992 /nfs/dbraw/zinc/38/79/92/1104387992.db2.gz ZRTUVRSQDBXJRS-DLBZAZTESA-N 1 0 343.427 2.833 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001168227582 1104558114 /nfs/dbraw/zinc/55/81/14/1104558114.db2.gz BCJWZLQMCJTCJN-SFYZADRCSA-N 1 0 349.819 2.652 20 5 EFBDRO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001168232219 1104562195 /nfs/dbraw/zinc/56/21/95/1104562195.db2.gz WRZNABMQSBOOBZ-KOLCDFICSA-N 1 0 332.173 2.778 20 5 EFBDRO Cc1csc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001126732431 1104645626 /nfs/dbraw/zinc/64/56/26/1104645626.db2.gz HVAPFEQUSNCXAQ-UHFFFAOYSA-N 1 0 325.415 2.546 20 5 EFBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000729684944 1104779933 /nfs/dbraw/zinc/77/99/33/1104779933.db2.gz NDWQBPKRTNWMBY-VMPITWQZSA-N 1 0 337.379 2.787 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000897539355 1105363494 /nfs/dbraw/zinc/36/34/94/1105363494.db2.gz ZSSZUTLGRVGGGM-WFASDCNBSA-N 1 0 338.404 2.643 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000925311281 1105686363 /nfs/dbraw/zinc/68/63/63/1105686363.db2.gz DPHWNZIOBZXRJL-UHFFFAOYSA-N 1 0 335.404 2.988 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H](O)C3CC3)cs2)c1 ZINC000898202205 1106261216 /nfs/dbraw/zinc/26/12/16/1106261216.db2.gz FNDKELMXDGYNAK-HNNXBMFYSA-N 1 0 333.413 2.969 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)cc1Cl ZINC000842047076 1106294015 /nfs/dbraw/zinc/29/40/15/1106294015.db2.gz PTCGFFRKUDOBGZ-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000898256320 1106307418 /nfs/dbraw/zinc/30/74/18/1106307418.db2.gz VUYDFMNASGMFCK-CYBMUJFWSA-N 1 0 342.399 2.848 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000989901887 1106799073 /nfs/dbraw/zinc/79/90/73/1106799073.db2.gz FTTHJXZKYXKLPS-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO Cc1ccoc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989949714 1107025434 /nfs/dbraw/zinc/02/54/34/1107025434.db2.gz KHZNGYMZEKIDAO-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO CN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434027 1107163565 /nfs/dbraw/zinc/16/35/65/1107163565.db2.gz TUGOKVYIKRHXFK-SECBINFHSA-N 1 0 329.198 2.649 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990611964 1108380207 /nfs/dbraw/zinc/38/02/07/1108380207.db2.gz RPIIXTLNJGOARS-FPLPWBNLSA-N 1 0 329.400 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC000905159200 1108436194 /nfs/dbraw/zinc/43/61/94/1108436194.db2.gz LAUAYIGCMKKQMZ-CQSZACIVSA-N 1 0 342.823 2.784 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]CC[N+](=O)[O-])cccc21 ZINC000905261225 1108551317 /nfs/dbraw/zinc/55/13/17/1108551317.db2.gz GTVNKARQFBOMDR-UHFFFAOYSA-N 1 0 335.404 2.741 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927082654 1108821765 /nfs/dbraw/zinc/82/17/65/1108821765.db2.gz GZOFBEIDTRSVEC-YPMHNXCESA-N 1 0 326.418 2.773 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCC[C@@]23CC[NH2+]C3)n1 ZINC001212122340 1109094850 /nfs/dbraw/zinc/09/48/50/1109094850.db2.gz QUDPBFLEHWLSBU-ZBEGNZNMSA-N 1 0 347.350 2.816 20 5 EFBDRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842173942 1109099712 /nfs/dbraw/zinc/09/97/12/1109099712.db2.gz ZCKYAOSNHWSJCD-NSHDSACASA-N 1 0 343.811 2.934 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000843804144 1109185693 /nfs/dbraw/zinc/18/56/93/1109185693.db2.gz FHHIRSBJKJDZJH-CYBMUJFWSA-N 1 0 335.379 2.600 20 5 EFBDRO COc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000899323876 1109282647 /nfs/dbraw/zinc/28/26/47/1109282647.db2.gz SCVSMBITFSQKEF-GFCCVEGCSA-N 1 0 334.347 2.519 20 5 EFBDRO COc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1C[C@@H](C[NH3+])CO ZINC000899324384 1109283481 /nfs/dbraw/zinc/28/34/81/1109283481.db2.gz LPOZRABASRNRMY-ZDUSSCGKSA-N 1 0 330.384 2.689 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCOc1ccc2c(c1)CC[NH2+]CC2 ZINC000899591750 1109405166 /nfs/dbraw/zinc/40/51/66/1109405166.db2.gz JYDQQUSXTMDJKZ-UHFFFAOYSA-N 1 0 328.368 2.741 20 5 EFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000159497611 1109672215 /nfs/dbraw/zinc/67/22/15/1109672215.db2.gz DTNVDRRZYVECBT-UHFFFAOYSA-N 1 0 330.226 2.774 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159501668 1109672476 /nfs/dbraw/zinc/67/24/76/1109672476.db2.gz DYMRMYBKSTUUFV-KOLCDFICSA-N 1 0 328.210 2.669 20 5 EFBDRO O=C(C=C1CCC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990956616 1110060176 /nfs/dbraw/zinc/06/01/76/1110060176.db2.gz YDAPOPIJSVMJKT-UHFFFAOYSA-N 1 0 335.429 2.847 20 5 EFBDRO CC(C)=C(F)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990992429 1110101027 /nfs/dbraw/zinc/10/10/27/1110101027.db2.gz FMKOABKEBOABMK-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001112353803 1111231737 /nfs/dbraw/zinc/23/17/37/1111231737.db2.gz CFFAOFQWZUYIGR-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001106777685 1111823846 /nfs/dbraw/zinc/82/38/46/1111823846.db2.gz FONRHEUFFSQJJD-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+]1CCCCC1 ZINC001106777731 1111824803 /nfs/dbraw/zinc/82/48/03/1111824803.db2.gz HRPBEDAGYFPMGA-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C ZINC001106778956 1111825778 /nfs/dbraw/zinc/82/57/78/1111825778.db2.gz NXEHQMRBQZSANM-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001106809275 1111866883 /nfs/dbraw/zinc/86/68/83/1111866883.db2.gz HRUMNNCMGWKBBC-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187222207 299065210 /nfs/dbraw/zinc/06/52/10/299065210.db2.gz DZSUFKHDJRWQMB-LIRRHRJNSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056947528 214396806 /nfs/dbraw/zinc/39/68/06/214396806.db2.gz FXTDLSFYPWTLQH-QLFBSQMISA-N 1 0 348.447 2.760 20 5 EFBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000154590128 529998182 /nfs/dbraw/zinc/99/81/82/529998182.db2.gz JWANIXQDVPQLJE-ZDUSSCGKSA-N 1 0 343.383 2.972 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045775088 213755624 /nfs/dbraw/zinc/75/56/24/213755624.db2.gz MMZBBGINZVSMGD-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000045775234 213754978 /nfs/dbraw/zinc/75/49/78/213754978.db2.gz FJZDANKKXTZNIF-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713363 213373445 /nfs/dbraw/zinc/37/34/45/213373445.db2.gz ZLNSUJUQRCWWGJ-SNVBAGLBSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418672899 295851034 /nfs/dbraw/zinc/85/10/34/295851034.db2.gz NMKRTKQZIHBSGL-ZDUSSCGKSA-N 1 0 334.420 2.786 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](CO)O3)s2)cc1 ZINC000353706552 146542026 /nfs/dbraw/zinc/54/20/26/146542026.db2.gz PBOKPUKIIDAZRS-GJZGRUSLSA-N 1 0 348.424 2.953 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@H](CO)O3)s2)cc1 ZINC000353706554 146542289 /nfs/dbraw/zinc/54/22/89/146542289.db2.gz PBOKPUKIIDAZRS-HUUCEWRRSA-N 1 0 348.424 2.953 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000181825843 234339725 /nfs/dbraw/zinc/33/97/25/234339725.db2.gz UCLGKGHZQAKDKU-LBPRGKRZSA-N 1 0 333.413 2.932 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2nccs2)cc1[N+](=O)[O-] ZINC000181832702 234343546 /nfs/dbraw/zinc/34/35/46/234343546.db2.gz XCUOSLOZADWEOJ-NSHDSACASA-N 1 0 334.401 2.673 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429834996 295901912 /nfs/dbraw/zinc/90/19/12/295901912.db2.gz YLYLXBHNYCBUNJ-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO Cn1cc(C[NH+]2CCC(C)(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184072513 235298875 /nfs/dbraw/zinc/29/88/75/235298875.db2.gz FKMPXCLXWJBEJP-UHFFFAOYSA-N 1 0 344.415 2.590 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000184077173 235300326 /nfs/dbraw/zinc/30/03/26/235300326.db2.gz OVLHJMLXIFAOOS-DOMZBBRYSA-N 1 0 345.424 2.907 20 5 EFBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184254400 235347886 /nfs/dbraw/zinc/34/78/86/235347886.db2.gz ACYFPWWIDZZUPV-UHFFFAOYSA-N 1 0 325.384 2.705 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184354220 235374917 /nfs/dbraw/zinc/37/49/17/235374917.db2.gz LOKYNROOMIWJTF-SMDDNHRTSA-N 1 0 346.412 2.718 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129785757 295930216 /nfs/dbraw/zinc/93/02/16/295930216.db2.gz LBUBWODDLPVKDR-JZXOWHBKSA-N 1 0 347.459 2.616 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000025330225 202129724 /nfs/dbraw/zinc/12/97/24/202129724.db2.gz FPSLDCUUYOAWEF-OAHLLOKOSA-N 1 0 333.413 2.618 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000025328793 202130164 /nfs/dbraw/zinc/13/01/64/202130164.db2.gz BUWYKHFBYXIPQX-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000025784439 202136779 /nfs/dbraw/zinc/13/67/79/202136779.db2.gz PUYRVTIJXVYJJN-CQSZACIVSA-N 1 0 333.413 2.618 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000341066438 283258635 /nfs/dbraw/zinc/25/86/35/283258635.db2.gz PMKNXLLXORPMNO-UHFFFAOYSA-N 1 0 348.447 2.786 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(CO)CC1 ZINC000186946769 236073809 /nfs/dbraw/zinc/07/38/09/236073809.db2.gz GAQIEDHYQIAFMI-LBPRGKRZSA-N 1 0 346.387 2.800 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000187360739 236189004 /nfs/dbraw/zinc/18/90/04/236189004.db2.gz ULUUAJKFMJQILG-STQMWFEESA-N 1 0 340.445 2.767 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000343602671 283334584 /nfs/dbraw/zinc/33/45/84/283334584.db2.gz KFSCRVZVUFTGNV-QGZVFWFLSA-N 1 0 348.447 2.778 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000188035362 236394900 /nfs/dbraw/zinc/39/49/00/236394900.db2.gz BKEKHGFFSBZLDQ-UHFFFAOYSA-N 1 0 346.431 2.725 20 5 EFBDRO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976481 283337488 /nfs/dbraw/zinc/33/74/88/283337488.db2.gz XSVTXKYUSRHKFV-BZUAXINKSA-N 1 0 335.452 2.739 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000079503798 283376482 /nfs/dbraw/zinc/37/64/82/283376482.db2.gz HYDZEJBPDRBBNZ-UHFFFAOYSA-N 1 0 349.456 2.945 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189978273 237466918 /nfs/dbraw/zinc/46/69/18/237466918.db2.gz VFKKEWJXRNSIBO-GUYCJALGSA-N 1 0 344.415 2.636 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131196163 223212737 /nfs/dbraw/zinc/21/27/37/223212737.db2.gz BDGCUOUCSRPQEI-CYBMUJFWSA-N 1 0 346.412 2.672 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000131309728 223221968 /nfs/dbraw/zinc/22/19/68/223221968.db2.gz JUBZCYXPDBBQOE-SCZZXKLOSA-N 1 0 341.209 2.789 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000247333810 201178581 /nfs/dbraw/zinc/17/85/81/201178581.db2.gz PWAIAAJFXOBQRD-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO Cc1c(C(=O)N(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000261541905 201193640 /nfs/dbraw/zinc/19/36/40/201193640.db2.gz MIMOKCYUYISOFI-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264543455 201212228 /nfs/dbraw/zinc/21/22/28/201212228.db2.gz BFLWSXRWXTYCTI-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266309964 201218385 /nfs/dbraw/zinc/21/83/85/201218385.db2.gz MQZHYYCQQAUAHI-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1nn(C)c(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268102768 201226273 /nfs/dbraw/zinc/22/62/73/201226273.db2.gz APAWNEUBJZHCKF-DOMZBBRYSA-N 1 0 329.404 2.712 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000267189702 201221824 /nfs/dbraw/zinc/22/18/24/201221824.db2.gz HCFGOLOOOUCEKC-UKRRQHHQSA-N 1 0 329.404 2.651 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000267434008 201222510 /nfs/dbraw/zinc/22/25/10/201222510.db2.gz HNEKAFXALSAFPJ-NWDGAFQWSA-N 1 0 349.412 2.654 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000271626406 201246374 /nfs/dbraw/zinc/24/63/74/201246374.db2.gz DRQSYTBPGLSSGQ-SNVBAGLBSA-N 1 0 339.193 2.905 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000079983998 201237891 /nfs/dbraw/zinc/23/78/91/201237891.db2.gz VJVGGQPYNGYXLE-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174543298 283721258 /nfs/dbraw/zinc/72/12/58/283721258.db2.gz KSQCBIFQYBBRAP-ROJDOSBLSA-N 1 0 343.427 2.942 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000108947260 219935248 /nfs/dbraw/zinc/93/52/48/219935248.db2.gz UIQKIPURDWDNEQ-UHFFFAOYSA-N 1 0 347.337 2.730 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000193254821 240081882 /nfs/dbraw/zinc/08/18/82/240081882.db2.gz CNGHWLLPUGTUHM-XJKCOSOUSA-N 1 0 331.416 2.898 20 5 EFBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000194942264 240192655 /nfs/dbraw/zinc/19/26/55/240192655.db2.gz VSKCMBKQCLRIFG-SFHVURJKSA-N 1 0 349.431 2.839 20 5 EFBDRO COc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195445143 240226755 /nfs/dbraw/zinc/22/67/55/240226755.db2.gz YUOIIJNAVIYWEG-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193670483 240256648 /nfs/dbraw/zinc/25/66/48/240256648.db2.gz MCCADRYFEDUWFW-UHFFFAOYSA-N 1 0 334.376 2.563 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261784563 240323653 /nfs/dbraw/zinc/32/36/53/240323653.db2.gz TUCBXLBLQSEHMJ-UHFFFAOYSA-N 1 0 327.384 2.547 20 5 EFBDRO [NH3+]C1(c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)CCC1 ZINC000261724985 240319848 /nfs/dbraw/zinc/31/98/48/240319848.db2.gz JWAOQCOOOLBDNH-UHFFFAOYSA-N 1 0 346.390 2.924 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229724780 242194054 /nfs/dbraw/zinc/19/40/54/242194054.db2.gz IDIYTWBNXFEGTH-MAZHCROVSA-N 1 0 349.456 2.818 20 5 EFBDRO C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000235222364 242283723 /nfs/dbraw/zinc/28/37/23/242283723.db2.gz PIWUMUFJCUJFLM-BDAKNGLRSA-N 1 0 329.198 2.552 20 5 EFBDRO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000230214853 242251310 /nfs/dbraw/zinc/25/13/10/242251310.db2.gz DYBCBGIYMJWPFW-QMMMGPOBSA-N 1 0 329.198 2.647 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000230214844 242251344 /nfs/dbraw/zinc/25/13/44/242251344.db2.gz INBOUOFXXLJJSQ-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236592115 242291919 /nfs/dbraw/zinc/29/19/19/242291919.db2.gz LRDKDMGRELNDFO-NWDGAFQWSA-N 1 0 325.434 2.565 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236688265 242322071 /nfs/dbraw/zinc/32/20/71/242322071.db2.gz PKAVVKIADZXDNX-INIZCTEOSA-N 1 0 348.428 2.822 20 5 EFBDRO CCN1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236836318 242376408 /nfs/dbraw/zinc/37/64/08/242376408.db2.gz HKZGGRJMYDMZRZ-QGZVFWFLSA-N 1 0 343.431 2.569 20 5 EFBDRO CC[NH+](CC)CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236853076 242382323 /nfs/dbraw/zinc/38/23/23/242382323.db2.gz XJHRIINMJKVNAV-UHFFFAOYSA-N 1 0 345.447 2.817 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236913683 242409548 /nfs/dbraw/zinc/40/95/48/242409548.db2.gz ONFXSNJEORLJLX-NWDGAFQWSA-N 1 0 325.434 2.709 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411691442 242924347 /nfs/dbraw/zinc/92/43/47/242924347.db2.gz CBBPYASJYKBRQN-HZPDHXFCSA-N 1 0 333.388 2.567 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000411812850 242976264 /nfs/dbraw/zinc/97/62/64/242976264.db2.gz AGNLMJCJORVSTI-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000411874272 243010778 /nfs/dbraw/zinc/01/07/78/243010778.db2.gz ZNZPOJUEAQCRTL-UHFFFAOYSA-N 1 0 335.429 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412005126 243065545 /nfs/dbraw/zinc/06/55/45/243065545.db2.gz UFFMLQAKFXVUCW-UHFFFAOYSA-N 1 0 346.427 2.750 20 5 EFBDRO COc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000412003231 243065577 /nfs/dbraw/zinc/06/55/77/243065577.db2.gz PCVHLSBPDOHUQP-UHFFFAOYSA-N 1 0 346.427 2.880 20 5 EFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000411893705 243020590 /nfs/dbraw/zinc/02/05/90/243020590.db2.gz PKUFIQOGTRAQMA-MSOLQXFVSA-N 1 0 328.368 2.876 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411972696 243049585 /nfs/dbraw/zinc/04/95/85/243049585.db2.gz QIMQVONTLVVPHN-PXAZEXFGSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411978501 243052971 /nfs/dbraw/zinc/05/29/71/243052971.db2.gz ZCEIWMZVRANCFS-PXAZEXFGSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411978504 243053660 /nfs/dbraw/zinc/05/36/60/243053660.db2.gz ZCEIWMZVRANCFS-SJCJKPOMSA-N 1 0 335.404 2.635 20 5 EFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000412029465 243081703 /nfs/dbraw/zinc/08/17/03/243081703.db2.gz CTWYZKAKANLKNI-DLBZAZTESA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095719 243135566 /nfs/dbraw/zinc/13/55/66/243135566.db2.gz TXZOWVHHHNCBER-OCCSQVGLSA-N 1 0 331.372 2.843 20 5 EFBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095716 243136352 /nfs/dbraw/zinc/13/63/52/243136352.db2.gz TXZOWVHHHNCBER-GXTWGEPZSA-N 1 0 331.372 2.843 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412272176 243240425 /nfs/dbraw/zinc/24/04/25/243240425.db2.gz DUMZZPBDINENHI-JKSUJKDBSA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312892 243261975 /nfs/dbraw/zinc/26/19/75/243261975.db2.gz VJRQSGMCUJITQK-BBWFWOEESA-N 1 0 345.443 2.935 20 5 EFBDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246323743 243232390 /nfs/dbraw/zinc/23/23/90/243232390.db2.gz HENYGPRYXGBPHI-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412349013 243279525 /nfs/dbraw/zinc/27/95/25/243279525.db2.gz SFCJHMIXZNWELG-RNJTYBCJSA-N 1 0 343.427 2.784 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247159843 243382741 /nfs/dbraw/zinc/38/27/41/243382741.db2.gz AKJQYBOTMCFGCB-QMTHXVAHSA-N 1 0 325.796 2.660 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247200804 243391616 /nfs/dbraw/zinc/39/16/16/243391616.db2.gz BVLSUTJQPYCFHE-WCQYABFASA-N 1 0 337.445 2.729 20 5 EFBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413079602 243459419 /nfs/dbraw/zinc/45/94/19/243459419.db2.gz DLNNEFFPJXAING-UHFFFAOYSA-N 1 0 348.325 2.531 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000069596426 203025586 /nfs/dbraw/zinc/02/55/86/203025586.db2.gz LQNROCYCZSOSKI-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO C[N@H+](CCCNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069499792 203010193 /nfs/dbraw/zinc/01/01/93/203010193.db2.gz OTIPSGZZEITOMT-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000070928490 203083480 /nfs/dbraw/zinc/08/34/80/203083480.db2.gz IBKFVNXHLQJTCW-UHFFFAOYSA-N 1 0 340.383 2.636 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414272465 244071393 /nfs/dbraw/zinc/07/13/93/244071393.db2.gz XEQZIECULNSBHC-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO COC1([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414318085 244086343 /nfs/dbraw/zinc/08/63/43/244086343.db2.gz PVLFOHRDTAXSNL-STQMWFEESA-N 1 0 335.404 2.859 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000414320157 244087064 /nfs/dbraw/zinc/08/70/64/244087064.db2.gz ADMBVAFENUUOTK-CYBMUJFWSA-N 1 0 340.445 2.769 20 5 EFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414338480 244093284 /nfs/dbraw/zinc/09/32/84/244093284.db2.gz ISSMYQSDSLJVJL-DZKIICNBSA-N 1 0 333.432 2.809 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414266881 244067345 /nfs/dbraw/zinc/06/73/45/244067345.db2.gz SJGMFMYNGLSEAM-CXUGXGMPSA-N 1 0 344.415 2.821 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000071912065 203148890 /nfs/dbraw/zinc/14/88/90/203148890.db2.gz CGMAIMCLBFASBQ-ZDUSSCGKSA-N 1 0 343.343 2.584 20 5 EFBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414481196 244187674 /nfs/dbraw/zinc/18/76/74/244187674.db2.gz BYIMPOPRCSGZSX-STQMWFEESA-N 1 0 348.424 2.905 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000414622238 244258300 /nfs/dbraw/zinc/25/83/00/244258300.db2.gz SFPPDMDRWMOUBW-LLVKDONJSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000414566644 244236420 /nfs/dbraw/zinc/23/64/20/244236420.db2.gz XDUVKIUPMOVEDK-UHFFFAOYSA-N 1 0 335.448 2.919 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414660946 244278998 /nfs/dbraw/zinc/27/89/98/244278998.db2.gz PBMVZGCOHXWCIA-KGLIPLIRSA-N 1 0 332.404 2.757 20 5 EFBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000072579526 203237321 /nfs/dbraw/zinc/23/73/21/203237321.db2.gz MHANBNDGSBNJTJ-CVEARBPZSA-N 1 0 332.404 2.529 20 5 EFBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414771833 244339295 /nfs/dbraw/zinc/33/92/95/244339295.db2.gz SAOQGMWVRFOVHY-QGZVFWFLSA-N 1 0 333.363 2.988 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072977245 203252808 /nfs/dbraw/zinc/25/28/08/203252808.db2.gz AOXMSBWTKNAXAX-CYBMUJFWSA-N 1 0 336.388 2.710 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000073758317 203272605 /nfs/dbraw/zinc/27/26/05/203272605.db2.gz GLXDBRKXCITMAT-BJJXKVORSA-N 1 0 332.404 2.534 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874023 244378987 /nfs/dbraw/zinc/37/89/87/244378987.db2.gz AMFWNBHLNNSGHE-RBUKOAKNSA-N 1 0 341.411 2.839 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000074335038 203285241 /nfs/dbraw/zinc/28/52/41/203285241.db2.gz FQSLEJAKIYYXCZ-UHFFFAOYSA-N 1 0 337.420 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414885166 244388817 /nfs/dbraw/zinc/38/88/17/244388817.db2.gz BQBCIIMTQMHGAJ-QZTJIDSGSA-N 1 0 329.375 2.969 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415665938 244444795 /nfs/dbraw/zinc/44/47/95/244444795.db2.gz WARVLCIRKAMYMT-FPMFFAJLSA-N 1 0 348.403 2.585 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076059656 203334608 /nfs/dbraw/zinc/33/46/08/203334608.db2.gz BSAPRUNKRHYGGB-OAHLLOKOSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076089514 203337860 /nfs/dbraw/zinc/33/78/60/203337860.db2.gz BFHCEGFFCRHDEJ-HOTGVXAUSA-N 1 0 348.403 2.671 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000131652194 203559948 /nfs/dbraw/zinc/55/99/48/203559948.db2.gz SFRCBKGRRLECIS-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262586997 245046971 /nfs/dbraw/zinc/04/69/71/245046971.db2.gz WNVKUISQLWIWMY-NSHDSACASA-N 1 0 325.434 2.519 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]C1CC1 ZINC000418305818 245117812 /nfs/dbraw/zinc/11/78/12/245117812.db2.gz ZYXRXMZPRDDCSX-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000418369422 245138711 /nfs/dbraw/zinc/13/87/11/245138711.db2.gz UJRAPDQDNFTOID-QGZVFWFLSA-N 1 0 346.431 2.570 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000418369421 245138813 /nfs/dbraw/zinc/13/88/13/245138813.db2.gz UJRAPDQDNFTOID-KRWDZBQOSA-N 1 0 346.431 2.570 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418373170 245138938 /nfs/dbraw/zinc/13/89/38/245138938.db2.gz ZIYNRYWWFIEYKI-INIZCTEOSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262759280 245164382 /nfs/dbraw/zinc/16/43/82/245164382.db2.gz QDZCQJJQZNPRHX-CZUORRHYSA-N 1 0 334.420 2.515 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418574871 245200023 /nfs/dbraw/zinc/20/00/23/245200023.db2.gz WCBFNIQXUVGIJC-UONOGXRCSA-N 1 0 332.404 2.539 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418649521 245225852 /nfs/dbraw/zinc/22/58/52/245225852.db2.gz WLCZCNUVRNWTMG-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418699503 245251344 /nfs/dbraw/zinc/25/13/44/245251344.db2.gz ISMBJLURQBGZIW-DZGCQCFKSA-N 1 0 334.420 2.611 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418699505 245251395 /nfs/dbraw/zinc/25/13/95/245251395.db2.gz ISMBJLURQBGZIW-UKRRQHHQSA-N 1 0 334.420 2.611 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000342880164 296165026 /nfs/dbraw/zinc/16/50/26/296165026.db2.gz HCGZPPJZMRSVST-CYBMUJFWSA-N 1 0 342.399 2.777 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418796738 245295510 /nfs/dbraw/zinc/29/55/10/245295510.db2.gz UDEKSPWOOBJWAZ-BMFZPTHFSA-N 1 0 346.431 2.611 20 5 EFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418767996 245283027 /nfs/dbraw/zinc/28/30/27/245283027.db2.gz LWWLYBRARLNYGU-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236893640 204088930 /nfs/dbraw/zinc/08/89/30/204088930.db2.gz TZVLVSOTINDCEG-LBPRGKRZSA-N 1 0 348.428 2.966 20 5 EFBDRO Cc1nn(C)c(NCc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000103135193 204063768 /nfs/dbraw/zinc/06/37/68/204063768.db2.gz JJTCSKBVZISAJZ-UHFFFAOYSA-N 1 0 347.419 2.579 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCCCn3cccn3)CC2)c1 ZINC000104674257 204114194 /nfs/dbraw/zinc/11/41/94/204114194.db2.gz SYPKMKYRCXMQJV-UHFFFAOYSA-N 1 0 343.431 2.784 20 5 EFBDRO CC(C)[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104667326 204114589 /nfs/dbraw/zinc/11/45/89/204114589.db2.gz PZIKABGXRRXTKW-UHFFFAOYSA-N 1 0 344.415 2.818 20 5 EFBDRO CC(C)[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000106903071 204219224 /nfs/dbraw/zinc/21/92/24/204219224.db2.gz CHHOEYQDPQBLGD-AWEZNQCLSA-N 1 0 327.812 2.793 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107690642 204243587 /nfs/dbraw/zinc/24/35/87/204243587.db2.gz ZMQGPHRMBHHGKD-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCOC1 ZINC000107689291 204244157 /nfs/dbraw/zinc/24/41/57/204244157.db2.gz HUNPPTVVJPXQNT-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO CCC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000109788555 204292888 /nfs/dbraw/zinc/29/28/88/204292888.db2.gz KSZKIYZUTRKUAU-UHFFFAOYSA-N 1 0 349.431 2.768 20 5 EFBDRO CCCO[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398997 204261464 /nfs/dbraw/zinc/26/14/64/204261464.db2.gz QUOWZLCRLGORLR-QGZVFWFLSA-N 1 0 349.431 2.839 20 5 EFBDRO Cc1ccc(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000419341125 245385006 /nfs/dbraw/zinc/38/50/06/245385006.db2.gz XWZOEHVRRDIZNM-UHFFFAOYSA-N 1 0 329.400 2.676 20 5 EFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112987631 204426890 /nfs/dbraw/zinc/42/68/90/204426890.db2.gz DADYJQMKIWFRQN-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000120179561 204714057 /nfs/dbraw/zinc/71/40/57/204714057.db2.gz QBWIBDDEFXUBCL-ZDUSSCGKSA-N 1 0 341.367 2.869 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237888697 204806182 /nfs/dbraw/zinc/80/61/82/204806182.db2.gz JAANTZPPZQVUKC-HNNXBMFYSA-N 1 0 340.383 2.820 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000124806854 204979086 /nfs/dbraw/zinc/97/90/86/204979086.db2.gz DEBKBFQETKBXIL-CYBMUJFWSA-N 1 0 342.399 2.605 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000125312357 205003758 /nfs/dbraw/zinc/00/37/58/205003758.db2.gz BZJCVTQMXRMNPG-QWHCGFSZSA-N 1 0 335.404 2.635 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000125312603 205004934 /nfs/dbraw/zinc/00/49/34/205004934.db2.gz BZJCVTQMXRMNPG-STQMWFEESA-N 1 0 335.404 2.635 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000127323992 205095671 /nfs/dbraw/zinc/09/56/71/205095671.db2.gz IOMKFAMSNAKYGZ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126956304 205078668 /nfs/dbraw/zinc/07/86/68/205078668.db2.gz HJRNWTFABQCUAA-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000127871592 205121425 /nfs/dbraw/zinc/12/14/25/205121425.db2.gz HUALABBIGQRZSR-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1cc(NC[C@H]2C[NH2+]CCCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420271701 245581242 /nfs/dbraw/zinc/58/12/42/245581242.db2.gz KLGOYILWTNMAEA-SNVBAGLBSA-N 1 0 333.310 2.712 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245804732 205157552 /nfs/dbraw/zinc/15/75/52/205157552.db2.gz YIMIELVLGCPNFH-CABCVRRESA-N 1 0 335.448 2.605 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129244582 205186611 /nfs/dbraw/zinc/18/66/11/205186611.db2.gz MWYKRKLPWCODJW-WFASDCNBSA-N 1 0 326.418 2.537 20 5 EFBDRO CO[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246112485 205176541 /nfs/dbraw/zinc/17/65/41/205176541.db2.gz LTWCIQFQLBSXCM-CMPLNLGQSA-N 1 0 341.795 2.686 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccnc1 ZINC000129698787 205208429 /nfs/dbraw/zinc/20/84/29/205208429.db2.gz KQVZAZBENMWAJG-LLVKDONJSA-N 1 0 332.335 2.808 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000130407122 205236849 /nfs/dbraw/zinc/23/68/49/205236849.db2.gz LPLVARMDEUDBGK-JLJPHGGASA-N 1 0 336.457 2.764 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000246881270 205240542 /nfs/dbraw/zinc/24/05/42/205240542.db2.gz DPZHRLLXPOHGQX-PBHICJAKSA-N 1 0 348.447 2.946 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248031060 205333309 /nfs/dbraw/zinc/33/33/09/205333309.db2.gz QJLLBKVLDWZMFM-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389440 245662518 /nfs/dbraw/zinc/66/25/18/245662518.db2.gz MCDXAPHOFVVNSW-DLBZAZTESA-N 1 0 345.374 2.669 20 5 EFBDRO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133089460 205355265 /nfs/dbraw/zinc/35/52/65/205355265.db2.gz VYWROBQDAXYBIP-HUUCEWRRSA-N 1 0 333.432 2.746 20 5 EFBDRO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133089290 205355362 /nfs/dbraw/zinc/35/53/62/205355362.db2.gz VYWROBQDAXYBIP-LSDHHAIUSA-N 1 0 333.432 2.746 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000133690535 205374797 /nfs/dbraw/zinc/37/47/97/205374797.db2.gz PTZMCZGSHXFZGG-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150798359 205585090 /nfs/dbraw/zinc/58/50/90/205585090.db2.gz NHAUJLDIEHXWFD-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000001820509 205604555 /nfs/dbraw/zinc/60/45/55/205604555.db2.gz NVPKLUNQZLZNDE-GOSISDBHSA-N 1 0 325.368 2.942 20 5 biogenic EFBDRO COC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000153736221 205877430 /nfs/dbraw/zinc/87/74/30/205877430.db2.gz OAXRQSSGPYOQAQ-CQSZACIVSA-N 1 0 336.413 2.810 20 5 EFBDRO Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc(C)n1 ZINC000421581911 246024226 /nfs/dbraw/zinc/02/42/26/246024226.db2.gz ZPKADZCABFVGJW-UHFFFAOYSA-N 1 0 329.356 2.610 20 5 EFBDRO COc1cc(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000421680574 246059763 /nfs/dbraw/zinc/05/97/63/246059763.db2.gz SCCLLLZITRIIJV-UHFFFAOYSA-N 1 0 335.404 2.514 20 5 EFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000155378332 206003960 /nfs/dbraw/zinc/00/39/60/206003960.db2.gz RSSKVGPINUHNNF-LBPRGKRZSA-N 1 0 344.371 2.538 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000421701421 246068198 /nfs/dbraw/zinc/06/81/98/246068198.db2.gz HNKYYZNQJXKPEW-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704578 246068942 /nfs/dbraw/zinc/06/89/42/246068942.db2.gz PGZCSAPYUNENHU-TZMCWYRMSA-N 1 0 337.445 2.628 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155685831 206027082 /nfs/dbraw/zinc/02/70/82/206027082.db2.gz DOKIBMCYMYMEMP-CJNGLKHVSA-N 1 0 349.456 2.630 20 5 EFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000156422880 206077075 /nfs/dbraw/zinc/07/70/75/206077075.db2.gz GZZIADYQPXVWSW-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156506536 206082555 /nfs/dbraw/zinc/08/25/55/206082555.db2.gz VFXVHHKCGPYSEX-ZBFHGGJFSA-N 1 0 330.388 2.753 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1C(F)(F)F ZINC000157560516 206143292 /nfs/dbraw/zinc/14/32/92/206143292.db2.gz VZLNFTKAMOVFHM-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC(F)F)cc1 ZINC000157365425 206132417 /nfs/dbraw/zinc/13/24/17/206132417.db2.gz UCFITFMZYBNHQT-UHFFFAOYSA-N 1 0 326.303 2.525 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157444777 206135987 /nfs/dbraw/zinc/13/59/87/206135987.db2.gz YZAGBVPZJXPBSS-INIZCTEOSA-N 1 0 333.432 2.924 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000157450493 206136397 /nfs/dbraw/zinc/13/63/97/206136397.db2.gz DQKKBXMLMZJURX-OAHLLOKOSA-N 1 0 327.812 2.670 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000157445339 206136502 /nfs/dbraw/zinc/13/65/02/206136502.db2.gz NYCJPICZCGYLIO-AWEZNQCLSA-N 1 0 336.417 2.534 20 5 EFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264267183 246262291 /nfs/dbraw/zinc/26/22/91/246262291.db2.gz FJLAEEVUPRKSID-INIZCTEOSA-N 1 0 326.400 2.966 20 5 EFBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000264300173 246317245 /nfs/dbraw/zinc/31/72/45/246317245.db2.gz LSEIAKIIYIQCIT-NSHDSACASA-N 1 0 330.392 2.508 20 5 EFBDRO NC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000158614834 206201356 /nfs/dbraw/zinc/20/13/56/206201356.db2.gz CVMWMSAXAKHGMA-UHFFFAOYSA-N 1 0 329.356 2.552 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)s1 ZINC000159700699 206259568 /nfs/dbraw/zinc/25/95/68/206259568.db2.gz BRLAHFNNJWONMT-UHFFFAOYSA-N 1 0 341.820 2.994 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000425360372 247059090 /nfs/dbraw/zinc/05/90/90/247059090.db2.gz VIUNJUIGWKYPIS-CHWSQXEVSA-N 1 0 336.388 2.767 20 5 EFBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000425367106 247060985 /nfs/dbraw/zinc/06/09/85/247060985.db2.gz HCYNCSSINIZSER-HNNXBMFYSA-N 1 0 343.431 2.774 20 5 EFBDRO Nc1nc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425276847 247026548 /nfs/dbraw/zinc/02/65/48/247026548.db2.gz DYAJLCRTLREYRI-CYBMUJFWSA-N 1 0 345.428 2.554 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264909901 247033969 /nfs/dbraw/zinc/03/39/69/247033969.db2.gz NEKQZFWHKKJTPM-UHFFFAOYSA-N 1 0 337.420 2.602 20 5 EFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444136 247088913 /nfs/dbraw/zinc/08/89/13/247088913.db2.gz LVDDHNQQWCVKDO-ZIAGYGMSSA-N 1 0 343.221 2.998 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265051182 247163202 /nfs/dbraw/zinc/16/32/02/247163202.db2.gz PZUUVFLUVUGIOT-IAGOWNOFSA-N 1 0 349.431 2.857 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426491640 247286748 /nfs/dbraw/zinc/28/67/48/247286748.db2.gz IOEHPNDRCFVBAZ-SWLSCSKDSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426491639 247287496 /nfs/dbraw/zinc/28/74/96/247287496.db2.gz IOEHPNDRCFVBAZ-IUODEOHRSA-N 1 0 333.388 2.806 20 5 EFBDRO Cc1ccnc(NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000265233797 247324110 /nfs/dbraw/zinc/32/41/10/247324110.db2.gz NHDNLBKFKRDGET-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000427405861 247347724 /nfs/dbraw/zinc/34/77/24/247347724.db2.gz RSHZSBGFTWOHBW-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000265309257 247391650 /nfs/dbraw/zinc/39/16/50/247391650.db2.gz ISDGACJXELQLCQ-HUUCEWRRSA-N 1 0 337.807 2.534 20 5 EFBDRO CC(C)([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000429257914 247606146 /nfs/dbraw/zinc/60/61/46/247606146.db2.gz SRIQBZYPYOVSNM-UHFFFAOYSA-N 1 0 328.372 2.843 20 5 EFBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000265756246 247767560 /nfs/dbraw/zinc/76/75/60/247767560.db2.gz FVQJLHKYGOXZII-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000430710526 247828112 /nfs/dbraw/zinc/82/81/12/247828112.db2.gz SMAZGVQOMVUZEG-INIZCTEOSA-N 1 0 348.447 2.681 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([NH2+]CC4CC4)CC3)nc2c1 ZINC000430565925 247801115 /nfs/dbraw/zinc/80/11/15/247801115.db2.gz QSWXWXWCYGPXAE-UHFFFAOYSA-N 1 0 330.388 2.700 20 5 EFBDRO COc1cc(CN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430630306 247816354 /nfs/dbraw/zinc/81/63/54/247816354.db2.gz RPHWCRFDGWLHTM-NSHDSACASA-N 1 0 345.346 2.518 20 5 EFBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000249096325 206345278 /nfs/dbraw/zinc/34/52/78/206345278.db2.gz YAASYDUJKLRPMA-CDHAZOANSA-N 1 0 349.431 2.613 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000162184139 206390177 /nfs/dbraw/zinc/39/01/77/206390177.db2.gz SJFBYDNHUHFQEN-MFKMUULPSA-N 1 0 343.811 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000162509991 206405427 /nfs/dbraw/zinc/40/54/27/206405427.db2.gz OOCWLGRMWQMBBT-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO C[NH+](C)[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000433309920 248043771 /nfs/dbraw/zinc/04/37/71/248043771.db2.gz FJJAMFJJKLSAMU-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000433054349 248009007 /nfs/dbraw/zinc/00/90/07/248009007.db2.gz UTTLBUUMIZUCDN-JSGCOSHPSA-N 1 0 336.388 2.767 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433075366 248012401 /nfs/dbraw/zinc/01/24/01/248012401.db2.gz HASFOGPFKFEXCX-MRXNPFEDSA-N 1 0 327.384 2.636 20 5 EFBDRO CC[N@H+](CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000433774244 248087347 /nfs/dbraw/zinc/08/73/47/248087347.db2.gz KXBAQEGLSCMOBN-UHFFFAOYSA-N 1 0 341.415 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[N@@H+]3C3CC3)ccc2c1 ZINC000433812256 248092162 /nfs/dbraw/zinc/09/21/62/248092162.db2.gz VGNBXSJGFKBJHC-INIZCTEOSA-N 1 0 326.400 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000266101773 248098313 /nfs/dbraw/zinc/09/83/13/248098313.db2.gz RTHJNCJKVLUYOX-HNNXBMFYSA-N 1 0 333.413 2.997 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266161683 248139932 /nfs/dbraw/zinc/13/99/32/248139932.db2.gz NOPIAFKEJVLSLU-UHFFFAOYSA-N 1 0 348.403 2.836 20 5 EFBDRO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000266169204 248146402 /nfs/dbraw/zinc/14/64/02/248146402.db2.gz YXXICXYEKXGHMZ-OAHLLOKOSA-N 1 0 341.415 2.967 20 5 EFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000433945333 248105108 /nfs/dbraw/zinc/10/51/08/248105108.db2.gz FOTNRHNJCKPBSN-HOTGVXAUSA-N 1 0 348.378 2.960 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000266280936 248220172 /nfs/dbraw/zinc/22/01/72/248220172.db2.gz GMTVTIGOHLHYIE-VWYCJHECSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266299891 248233170 /nfs/dbraw/zinc/23/31/70/248233170.db2.gz MEIJUMYVBIZKQH-GVXVVHGQSA-N 1 0 332.360 2.720 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000266299895 248233415 /nfs/dbraw/zinc/23/34/15/248233415.db2.gz MEIJUMYVBIZKQH-NTZNESFSSA-N 1 0 332.360 2.720 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266305683 248238482 /nfs/dbraw/zinc/23/84/82/248238482.db2.gz MDOOFUBYBBWVLP-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266334432 248252985 /nfs/dbraw/zinc/25/29/85/248252985.db2.gz YUUYAWJHOYECNF-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(F)c1 ZINC000434787938 248189531 /nfs/dbraw/zinc/18/95/31/248189531.db2.gz RXFUBLYICDVPEP-UHFFFAOYSA-N 1 0 328.237 2.741 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266396427 248281149 /nfs/dbraw/zinc/28/11/49/248281149.db2.gz KZUCAJSNWRUAQU-GFCCVEGCSA-N 1 0 339.823 2.591 20 5 EFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266466911 248314593 /nfs/dbraw/zinc/31/45/93/248314593.db2.gz NJAPTWYDWXRBGO-GOSISDBHSA-N 1 0 339.395 2.747 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000266539757 248350872 /nfs/dbraw/zinc/35/08/72/248350872.db2.gz PKMSUXWLVFEMJM-AWEZNQCLSA-N 1 0 327.388 2.658 20 5 EFBDRO Cc1cc(C)n(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000266578699 248368278 /nfs/dbraw/zinc/36/82/78/248368278.db2.gz HIFIPUVRLQCBQK-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC(C)(C)[NH+](C)C ZINC000443457028 250196967 /nfs/dbraw/zinc/19/69/67/250196967.db2.gz UMCVTMOYNHKBAW-UHFFFAOYSA-N 1 0 327.356 2.663 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000443641851 250214811 /nfs/dbraw/zinc/21/48/11/250214811.db2.gz MOPUIDIMPCYNDH-KGLIPLIRSA-N 1 0 331.416 2.852 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1S(C)(=O)=O ZINC000444005546 250247796 /nfs/dbraw/zinc/24/77/96/250247796.db2.gz XHUZLRKTEHEJKH-UHFFFAOYSA-N 1 0 348.424 2.905 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000443999025 250247917 /nfs/dbraw/zinc/24/79/17/250247917.db2.gz SEBSNFSQIUEMQC-UHFFFAOYSA-N 1 0 348.424 2.905 20 5 EFBDRO COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000444336199 250289503 /nfs/dbraw/zinc/28/95/03/250289503.db2.gz CHSIJHGCIZWNSX-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000444628097 250319684 /nfs/dbraw/zinc/31/96/84/250319684.db2.gz GQFNQLLWZULXTI-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000444627903 250320435 /nfs/dbraw/zinc/32/04/35/250320435.db2.gz FTKSAJOUNQULCI-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444668819 250326073 /nfs/dbraw/zinc/32/60/73/250326073.db2.gz ZREFKJHSYWDKFP-PXAZEXFGSA-N 1 0 346.387 2.683 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 ZINC000444756664 250342863 /nfs/dbraw/zinc/34/28/63/250342863.db2.gz GFAINKKAICBDHS-QMMMGPOBSA-N 1 0 345.222 2.966 20 5 EFBDRO CC(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000444771653 250343903 /nfs/dbraw/zinc/34/39/03/250343903.db2.gz KGPXDOLEHLDKKV-HNNXBMFYSA-N 1 0 331.416 2.852 20 5 EFBDRO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000444731799 250337657 /nfs/dbraw/zinc/33/76/57/250337657.db2.gz HMPVGBVVCRXVEB-HNNXBMFYSA-N 1 0 348.374 2.914 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000171410703 206702105 /nfs/dbraw/zinc/70/21/05/206702105.db2.gz CMOWBLWCOGOTIH-UTUOFQBUSA-N 1 0 349.387 2.676 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000447089533 250542926 /nfs/dbraw/zinc/54/29/26/250542926.db2.gz WXCLCQRBSNAEOQ-NTCAYCPXSA-N 1 0 343.427 2.942 20 5 EFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881153 206760467 /nfs/dbraw/zinc/76/04/67/206760467.db2.gz UYYRBPIBVYRXSE-LBPRGKRZSA-N 1 0 333.413 2.907 20 5 EFBDRO O=C1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000433096837 284794312 /nfs/dbraw/zinc/79/43/12/284794312.db2.gz JJHORKQCRSFCHT-BMFZPTHFSA-N 1 0 331.416 2.564 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)s1 ZINC000447990198 250650188 /nfs/dbraw/zinc/65/01/88/250650188.db2.gz RDDVGRAFVFGCGZ-ZBFHGGJFSA-N 1 0 348.424 2.953 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCSC1 ZINC000267072741 250700948 /nfs/dbraw/zinc/70/09/48/250700948.db2.gz IYQRMXDCLTXJMV-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000267322499 250944143 /nfs/dbraw/zinc/94/41/43/250944143.db2.gz WFCKOFYTAWIEBZ-VXGBXAGGSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000267322496 250944395 /nfs/dbraw/zinc/94/43/95/250944395.db2.gz WFCKOFYTAWIEBZ-RYUDHWBXSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1cc(NCCSCCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174730688 207051067 /nfs/dbraw/zinc/05/10/67/207051067.db2.gz ZXRRXFSMGHPZQV-UHFFFAOYSA-N 1 0 348.428 2.888 20 5 EFBDRO COc1nccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373560 251002194 /nfs/dbraw/zinc/00/21/94/251002194.db2.gz RYORVFKZNFDYOU-CZUORRHYSA-N 1 0 342.399 2.894 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449405781 251015541 /nfs/dbraw/zinc/01/55/41/251015541.db2.gz ZYBDDOMVYXNXEP-ZENOOKHLSA-N 1 0 337.420 2.963 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000174879115 207068185 /nfs/dbraw/zinc/06/81/85/207068185.db2.gz CJQCEFMHUNWZSM-CQSZACIVSA-N 1 0 332.429 2.906 20 5 EFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449453186 251031453 /nfs/dbraw/zinc/03/14/53/251031453.db2.gz HMIHXJNTLJSUFS-UGSOOPFHSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000267413258 251036712 /nfs/dbraw/zinc/03/67/12/251036712.db2.gz KTATXFZBCUAJKS-ZFWWWQNUSA-N 1 0 343.383 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449477934 251040195 /nfs/dbraw/zinc/04/01/95/251040195.db2.gz XLWKEVFMOQSBCZ-GVDBMIGSSA-N 1 0 348.399 2.587 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449559454 251065380 /nfs/dbraw/zinc/06/53/80/251065380.db2.gz YIPVKBDJKVXZGZ-JKIFEVAISA-N 1 0 334.416 2.976 20 5 EFBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560986 251065433 /nfs/dbraw/zinc/06/54/33/251065433.db2.gz AGIWKFHTOYPNGV-QWHCGFSZSA-N 1 0 345.403 2.879 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)C2(O)CCCC2)c([N+](=O)[O-])cc1O ZINC000449738119 251134257 /nfs/dbraw/zinc/13/42/57/251134257.db2.gz YPQPDZZCKOLTFO-UHFFFAOYSA-N 1 0 338.404 2.730 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449710835 251126073 /nfs/dbraw/zinc/12/60/73/251126073.db2.gz BTBIWHVPOFKIIC-ZYHUDNBSSA-N 1 0 346.412 2.576 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000449791949 251157099 /nfs/dbraw/zinc/15/70/99/251157099.db2.gz QUSPPYMFYUYYFJ-NSHDSACASA-N 1 0 330.331 2.791 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000175844515 207165535 /nfs/dbraw/zinc/16/55/35/207165535.db2.gz VZIPZPCNQFCOTN-KBPBESRZSA-N 1 0 346.431 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000176137792 207193112 /nfs/dbraw/zinc/19/31/12/207193112.db2.gz KMOGZVPTXSYSJV-STQMWFEESA-N 1 0 334.420 2.746 20 5 EFBDRO Nc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176253743 207208398 /nfs/dbraw/zinc/20/83/98/207208398.db2.gz UDMFEVYTCYHVQN-UHFFFAOYSA-N 1 0 346.431 2.561 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000267724367 251287280 /nfs/dbraw/zinc/28/72/80/251287280.db2.gz MDRXCMLQFZJEOM-CWRNSKLLSA-N 1 0 346.431 2.890 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176198070 207201212 /nfs/dbraw/zinc/20/12/12/207201212.db2.gz SCDHFTGMKCOVPS-OAHLLOKOSA-N 1 0 346.387 2.646 20 5 EFBDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176247670 207206784 /nfs/dbraw/zinc/20/67/84/207206784.db2.gz QAHTZQFNPZXVPT-OAHLLOKOSA-N 1 0 332.429 2.890 20 5 EFBDRO Cc1ccc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176247989 207206854 /nfs/dbraw/zinc/20/68/54/207206854.db2.gz OIFOCFJPBSJCJC-UHFFFAOYSA-N 1 0 330.388 2.643 20 5 EFBDRO CCc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000450257316 251318417 /nfs/dbraw/zinc/31/84/17/251318417.db2.gz KWVSFZOKPSYDFZ-UHFFFAOYSA-N 1 0 346.412 2.576 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450266369 251322816 /nfs/dbraw/zinc/32/28/16/251322816.db2.gz QHPNFRUDSLCGCE-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285172 207211342 /nfs/dbraw/zinc/21/13/42/207211342.db2.gz QCUNWKXGSZVGCI-CQSZACIVSA-N 1 0 349.431 2.625 20 5 EFBDRO C[NH+]1CCC(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450302002 251336220 /nfs/dbraw/zinc/33/62/20/251336220.db2.gz VMJWJWSMDOOQQC-UHFFFAOYSA-N 1 0 332.429 2.894 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450380056 251368041 /nfs/dbraw/zinc/36/80/41/251368041.db2.gz PXAQHRYKKRUSHX-CQSZACIVSA-N 1 0 328.416 2.955 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450337380 251351096 /nfs/dbraw/zinc/35/10/96/251351096.db2.gz ULPLTQRTYSQXOB-AWEZNQCLSA-N 1 0 335.404 2.597 20 5 EFBDRO C[N@H+]1CC=C(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450425963 251382820 /nfs/dbraw/zinc/38/28/20/251382820.db2.gz OSRVOJXSPYNGKT-UHFFFAOYSA-N 1 0 330.413 2.814 20 5 EFBDRO COC(=O)Cc1ccc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000450442841 251388656 /nfs/dbraw/zinc/38/86/56/251388656.db2.gz ZADMLTMGEIPEJF-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000176707459 207251146 /nfs/dbraw/zinc/25/11/46/207251146.db2.gz XWMKBMUGILLMED-HYVNUMGLSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177157893 207299447 /nfs/dbraw/zinc/29/94/47/207299447.db2.gz LKVKSELOUUDFHN-XQQFMLRXSA-N 1 0 349.456 2.817 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061697 207289823 /nfs/dbraw/zinc/28/98/23/207289823.db2.gz IDEWQDLSFCTTJK-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177100508 207292371 /nfs/dbraw/zinc/29/23/71/207292371.db2.gz GFPGHHXJIFDSQC-ZYHUDNBSSA-N 1 0 337.807 2.532 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000177494361 207344027 /nfs/dbraw/zinc/34/40/27/207344027.db2.gz MDIWWRBNIIRWID-WBVHZDCISA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177496935 207344084 /nfs/dbraw/zinc/34/40/84/207344084.db2.gz QMVOCQQYIGOHKO-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177505130 207344701 /nfs/dbraw/zinc/34/47/01/207344701.db2.gz CGCDZNGSYLHWLS-QWHCGFSZSA-N 1 0 339.823 2.780 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452016069 251756457 /nfs/dbraw/zinc/75/64/57/251756457.db2.gz NHKCKLNCWFURGZ-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177533915 207350838 /nfs/dbraw/zinc/35/08/38/207350838.db2.gz XFBQOQCRWLLIAU-NWDGAFQWSA-N 1 0 337.445 2.919 20 5 EFBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000268565149 252027166 /nfs/dbraw/zinc/02/71/66/252027166.db2.gz PIZAEZFGCXCTLY-UHFFFAOYSA-N 1 0 343.811 2.670 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000453328384 252034713 /nfs/dbraw/zinc/03/47/13/252034713.db2.gz SZVVOOARRSWARL-DXCKQFNASA-N 1 0 338.404 2.696 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454223746 252179943 /nfs/dbraw/zinc/17/99/43/252179943.db2.gz NXTRIRXNBSCDED-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000268737705 252188338 /nfs/dbraw/zinc/18/83/38/252188338.db2.gz CASIDSQHRNNRJW-HOCLYGCPSA-N 1 0 330.384 2.994 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181182511 207894915 /nfs/dbraw/zinc/89/49/15/207894915.db2.gz LBANDRPVKGPJLM-GOEBONIOSA-N 1 0 330.388 2.549 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261597143 285083201 /nfs/dbraw/zinc/08/32/01/285083201.db2.gz OUBZXQOLQCZKNQ-CYBMUJFWSA-N 1 0 326.194 2.547 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000458891935 255790835 /nfs/dbraw/zinc/79/08/35/255790835.db2.gz SOYBBPQCKWGJHW-BJJXKVORSA-N 1 0 332.404 2.534 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](C[NH+]4CCCCC4)C3)c21 ZINC000347425558 285158583 /nfs/dbraw/zinc/15/85/83/285158583.db2.gz DZJFNPPKJMGNLZ-CQSZACIVSA-N 1 0 341.415 2.850 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)c21 ZINC000347425557 285158706 /nfs/dbraw/zinc/15/87/06/285158706.db2.gz DZJFNPPKJMGNLZ-AWEZNQCLSA-N 1 0 341.415 2.850 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCc2ccncc2)CC1 ZINC000347371312 285163246 /nfs/dbraw/zinc/16/32/46/285163246.db2.gz VXORJUFGZLSQQV-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CCO)CCCC1 ZINC000268990523 255509776 /nfs/dbraw/zinc/50/97/76/255509776.db2.gz RICSEIISNIQBPA-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455175192 255602146 /nfs/dbraw/zinc/60/21/46/255602146.db2.gz WBCBWOVSESVWMG-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000456212922 255630049 /nfs/dbraw/zinc/63/00/49/255630049.db2.gz ZGFFSAOATULPEA-UHFFFAOYSA-N 1 0 346.431 2.786 20 5 EFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])ccc21 ZINC000456290495 255632983 /nfs/dbraw/zinc/63/29/83/255632983.db2.gz YIHNJNGXXKQQNN-HNNXBMFYSA-N 1 0 340.383 2.978 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459734218 255925416 /nfs/dbraw/zinc/92/54/16/255925416.db2.gz GXGXWQPCNKRXTF-VBNZEHGJSA-N 1 0 347.415 2.859 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[NH+](C)C)CC1 ZINC000118868366 221199584 /nfs/dbraw/zinc/19/95/84/221199584.db2.gz DWRVUVNQHHQHLL-CQSZACIVSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000181813573 533224787 /nfs/dbraw/zinc/22/47/87/533224787.db2.gz CMORDZLOAHUVHC-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119696172 221379533 /nfs/dbraw/zinc/37/95/33/221379533.db2.gz LNBIUFGHKBBCAE-CQSZACIVSA-N 1 0 335.404 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119696309 221379548 /nfs/dbraw/zinc/37/95/48/221379548.db2.gz LNBIUFGHKBBCAE-AWEZNQCLSA-N 1 0 335.404 2.777 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000344827227 533408876 /nfs/dbraw/zinc/40/88/76/533408876.db2.gz ZDYKKAFTYDVTHO-LRFDDAOPSA-N 1 0 338.429 2.555 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000344827230 533409058 /nfs/dbraw/zinc/40/90/58/533409058.db2.gz ZDYKKAFTYDVTHO-WQMJKPAKSA-N 1 0 338.429 2.555 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000344884190 533410146 /nfs/dbraw/zinc/41/01/46/533410146.db2.gz YHYWJEWWJKVERT-JQVXPOPVSA-N 1 0 327.388 2.503 20 5 EFBDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000183743572 533573996 /nfs/dbraw/zinc/57/39/96/533573996.db2.gz DGQAEQFQNUFLIU-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO COc1ccccc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051119166 132180000 /nfs/dbraw/zinc/18/00/00/132180000.db2.gz CZJVBCJBGUNKEE-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1OC(C)C ZINC000341635231 141842359 /nfs/dbraw/zinc/84/23/59/141842359.db2.gz HXDFVFQHGNASPE-ZDUSSCGKSA-N 1 0 348.403 2.938 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343452214 142000354 /nfs/dbraw/zinc/00/03/54/142000354.db2.gz RIGYZCUYRCYSJS-CQSZACIVSA-N 1 0 344.415 2.506 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000344475837 142024065 /nfs/dbraw/zinc/02/40/65/142024065.db2.gz RAWBYLONCZZGGR-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000344477153 142024393 /nfs/dbraw/zinc/02/43/93/142024393.db2.gz AXGMLYKUQHDWME-AWEZNQCLSA-N 1 0 345.443 2.907 20 5 EFBDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000344599330 142046356 /nfs/dbraw/zinc/04/63/56/142046356.db2.gz DUOKQFPUNSJVMZ-HNNXBMFYSA-N 1 0 329.356 2.565 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000344607352 142048496 /nfs/dbraw/zinc/04/84/96/142048496.db2.gz DXHKYNJSDJJEDZ-HNNXBMFYSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000344702006 142063379 /nfs/dbraw/zinc/06/33/79/142063379.db2.gz QYZKWVZVJJPHHA-LBPRGKRZSA-N 1 0 335.379 2.680 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344718649 142066342 /nfs/dbraw/zinc/06/63/42/142066342.db2.gz PXLYWFZRAZEIRK-INIZCTEOSA-N 1 0 349.431 2.600 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000344780949 142077040 /nfs/dbraw/zinc/07/70/40/142077040.db2.gz WDMWFWWKGUCGSM-ZDUSSCGKSA-N 1 0 342.298 2.579 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CCOCC1 ZINC000344790869 142078721 /nfs/dbraw/zinc/07/87/21/142078721.db2.gz JYFOHQWAZVQOHU-RVDMUPIBSA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCS(C)(=O)=O ZINC000344801036 142080579 /nfs/dbraw/zinc/08/05/79/142080579.db2.gz WEQKWKZXYFRLRP-SDNWHVSQSA-N 1 0 340.445 2.803 20 5 EFBDRO CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344830492 142085160 /nfs/dbraw/zinc/08/51/60/142085160.db2.gz CTKYQZFOZVCNAS-TXQCQQFXSA-N 1 0 346.475 2.614 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000346011878 142132906 /nfs/dbraw/zinc/13/29/06/142132906.db2.gz TUVSKVYBQXHRQG-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346152991 142156009 /nfs/dbraw/zinc/15/60/09/142156009.db2.gz FKUFKWURNFBULZ-MQIPJXDCSA-N 1 0 335.379 2.536 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346187841 142163863 /nfs/dbraw/zinc/16/38/63/142163863.db2.gz OISSCBWYDDTKEQ-OZVIIMIRSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346220458 142170426 /nfs/dbraw/zinc/17/04/26/142170426.db2.gz KUSCXAKPOLMSKR-NQBHXWOUSA-N 1 0 337.445 2.767 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000346289930 142184350 /nfs/dbraw/zinc/18/43/50/142184350.db2.gz MEWLKERDOPNYIK-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)cs2)c1 ZINC000346323131 142189460 /nfs/dbraw/zinc/18/94/60/142189460.db2.gz FNRCNUYNKCUFBI-RCBQFDQVSA-N 1 0 345.424 2.921 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000346341652 142192288 /nfs/dbraw/zinc/19/22/88/142192288.db2.gz RDLVWCZGBJBOCJ-UHFFFAOYSA-N 1 0 335.404 2.639 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346403646 142200297 /nfs/dbraw/zinc/20/02/97/142200297.db2.gz BJAIJHMNAGHAEW-NEPJUHHUSA-N 1 0 336.392 2.550 20 5 EFBDRO CCc1ccc([C@H]([NH2+]CCCNC(C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346493125 142211579 /nfs/dbraw/zinc/21/15/79/142211579.db2.gz SAROJPHUTGRPTA-GOSISDBHSA-N 1 0 345.399 2.955 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347432648 142215975 /nfs/dbraw/zinc/21/59/75/142215975.db2.gz OCEVEQGGLQFSHF-CYBMUJFWSA-N 1 0 329.404 2.636 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000347545450 142233640 /nfs/dbraw/zinc/23/36/40/142233640.db2.gz CMHLHFDKHVCXOK-LBPRGKRZSA-N 1 0 325.368 2.997 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC000347553726 142234705 /nfs/dbraw/zinc/23/47/05/142234705.db2.gz IFBRQOWIERZRAI-GFCCVEGCSA-N 1 0 347.371 2.737 20 5 EFBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347573394 142237985 /nfs/dbraw/zinc/23/79/85/142237985.db2.gz ZXDGYFQKDXSAQE-NWDGAFQWSA-N 1 0 344.371 2.676 20 5 EFBDRO COC(=O)c1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1C ZINC000347578058 142239046 /nfs/dbraw/zinc/23/90/46/142239046.db2.gz CUPQTBJBORVQGC-UHFFFAOYSA-N 1 0 343.383 2.885 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000347833585 142278748 /nfs/dbraw/zinc/27/87/48/142278748.db2.gz QCMVAYIADWMHFC-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000347934068 142295529 /nfs/dbraw/zinc/29/55/29/142295529.db2.gz BUVYATGLYUGEMU-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000348014218 142308880 /nfs/dbraw/zinc/30/88/80/142308880.db2.gz MDMQHINJUBWIFV-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000348018933 142309736 /nfs/dbraw/zinc/30/97/36/142309736.db2.gz OJFACXXQWBRIIG-RWMBFGLXSA-N 1 0 335.379 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000349661906 142344990 /nfs/dbraw/zinc/34/49/90/142344990.db2.gz GZPVWYARGBJPLN-JKSUJKDBSA-N 1 0 338.429 2.537 20 5 EFBDRO C[C@@H](CC1CCCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349674593 142347490 /nfs/dbraw/zinc/34/74/90/142347490.db2.gz ZKDNCDVPDMLYDY-ZDUSSCGKSA-N 1 0 340.445 2.927 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000350059073 142395738 /nfs/dbraw/zinc/39/57/38/142395738.db2.gz IONZWIKXCJJMAV-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337853050 143824679 /nfs/dbraw/zinc/82/46/79/143824679.db2.gz KBEUZJIXWLFQAJ-WFASDCNBSA-N 1 0 337.420 2.963 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccncc2OCC[NH+](C)C)c1 ZINC000341032519 144976383 /nfs/dbraw/zinc/97/63/83/144976383.db2.gz GOGLICOSQULYLY-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000341436680 145051908 /nfs/dbraw/zinc/05/19/08/145051908.db2.gz VCEICCWYNIXDTN-LBPRGKRZSA-N 1 0 334.376 2.549 20 5 EFBDRO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342084538 145059374 /nfs/dbraw/zinc/05/93/74/145059374.db2.gz LRSHQIACCKWUHW-CYBMUJFWSA-N 1 0 328.372 2.802 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000342202543 145079574 /nfs/dbraw/zinc/07/95/74/145079574.db2.gz KDRMPZRAOZFLCO-UHFFFAOYSA-N 1 0 343.387 2.515 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000342235132 145084725 /nfs/dbraw/zinc/08/47/25/145084725.db2.gz IOHUXANZKMEBCP-ZFWWWQNUSA-N 1 0 330.388 2.586 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000342517399 145141923 /nfs/dbraw/zinc/14/19/23/145141923.db2.gz USAOTNWIFIGRMK-UHFFFAOYSA-N 1 0 345.374 2.768 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000342568227 145150653 /nfs/dbraw/zinc/15/06/53/145150653.db2.gz NTHDBSHTAHEQQO-LLVKDONJSA-N 1 0 326.372 2.976 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584796 145153497 /nfs/dbraw/zinc/15/34/97/145153497.db2.gz IDWHZQPZYOJBAB-KGLIPLIRSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000342655657 145167006 /nfs/dbraw/zinc/16/70/06/145167006.db2.gz NCZFBUODTBJLRJ-CMPLNLGQSA-N 1 0 340.811 2.530 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000342783680 145192322 /nfs/dbraw/zinc/19/23/22/145192322.db2.gz PKDAEESGMZNECP-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC(C)[NH+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)C ZINC000342915914 145221419 /nfs/dbraw/zinc/22/14/19/145221419.db2.gz RNNDUKYTCRHMMP-UHFFFAOYSA-N 1 0 332.404 2.925 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342929148 145223319 /nfs/dbraw/zinc/22/33/19/145223319.db2.gz SYPDXCGIIYNULN-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC1([NH+](C)C)CCC1 ZINC000342963604 145230318 /nfs/dbraw/zinc/23/03/18/145230318.db2.gz VCABWESQNAAWLN-UHFFFAOYSA-N 1 0 335.404 2.610 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000343556993 145236824 /nfs/dbraw/zinc/23/68/24/145236824.db2.gz SNIIVTNQPZOQEI-GXTWGEPZSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343565636 145240066 /nfs/dbraw/zinc/24/00/66/145240066.db2.gz RYBUIYJIJYCBIQ-SLEUVZQESA-N 1 0 337.445 2.674 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343572863 145241548 /nfs/dbraw/zinc/24/15/48/145241548.db2.gz OYLHWTJPCLSYFQ-CYBMUJFWSA-N 1 0 330.388 2.680 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343572052 145241633 /nfs/dbraw/zinc/24/16/33/145241633.db2.gz OIMGXZSISXBNBR-OAHLLOKOSA-N 1 0 344.415 2.609 20 5 EFBDRO COc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343614931 145252496 /nfs/dbraw/zinc/25/24/96/145252496.db2.gz BYISFPAHLLTTBB-UHFFFAOYSA-N 1 0 327.384 2.924 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000343624418 145255071 /nfs/dbraw/zinc/25/50/71/145255071.db2.gz WMWXSNMQEGQHEZ-CYBMUJFWSA-N 1 0 325.796 2.852 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000343643717 145260734 /nfs/dbraw/zinc/26/07/34/145260734.db2.gz BTFLMNOJYDBUHY-UHFFFAOYSA-N 1 0 331.372 2.836 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000343659802 145264875 /nfs/dbraw/zinc/26/48/75/145264875.db2.gz BPMQRULXRLCIBA-OAHLLOKOSA-N 1 0 349.431 2.520 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343764757 145289827 /nfs/dbraw/zinc/28/98/27/145289827.db2.gz WOAWANRJRBVGFW-RHSMWYFYSA-N 1 0 348.447 2.699 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000344097118 145367194 /nfs/dbraw/zinc/36/71/94/145367194.db2.gz IETRKMULAPPULE-HZPDHXFCSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344163905 145382800 /nfs/dbraw/zinc/38/28/00/145382800.db2.gz JXLMMXMQFBSODE-UONOGXRCSA-N 1 0 345.399 2.885 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000344166911 145383229 /nfs/dbraw/zinc/38/32/29/145383229.db2.gz DHBYRQXTVIESDO-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344189404 145388894 /nfs/dbraw/zinc/38/88/94/145388894.db2.gz NAMHREDVAHFQRK-LBPRGKRZSA-N 1 0 325.384 2.974 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344217645 145394695 /nfs/dbraw/zinc/39/46/95/145394695.db2.gz JXGINTNEXWROLA-SNVBAGLBSA-N 1 0 340.376 2.519 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344216007 145394785 /nfs/dbraw/zinc/39/47/85/145394785.db2.gz LHZMQRWVALGDEB-LBPRGKRZSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347397298 145858872 /nfs/dbraw/zinc/85/88/72/145858872.db2.gz FNACCQGBARZAGP-ZIAGYGMSSA-N 1 0 343.431 2.740 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000348139152 145879997 /nfs/dbraw/zinc/87/99/97/145879997.db2.gz HOZCULHHCWKADO-KBPBESRZSA-N 1 0 335.404 2.637 20 5 EFBDRO CCN(CC)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348892236 146021086 /nfs/dbraw/zinc/02/10/86/146021086.db2.gz IFSNCVZMANTEQM-UHFFFAOYSA-N 1 0 349.460 2.863 20 5 EFBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000348905251 146022211 /nfs/dbraw/zinc/02/22/11/146022211.db2.gz QMRLTJLNXZQKLW-UHFFFAOYSA-N 1 0 330.340 2.680 20 5 EFBDRO [NH3+]CCN(Cc1c[nH]nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348907254 146022616 /nfs/dbraw/zinc/02/26/16/146022616.db2.gz WTVIBJCBTNFJEF-UHFFFAOYSA-N 1 0 337.383 2.950 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000350736422 146085416 /nfs/dbraw/zinc/08/54/16/146085416.db2.gz KEPRJRVNTKKMDK-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000350950494 146102995 /nfs/dbraw/zinc/10/29/95/146102995.db2.gz NESSEWGUIKUGDQ-CQSZACIVSA-N 1 0 348.447 2.504 20 5 EFBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000351150664 146113722 /nfs/dbraw/zinc/11/37/22/146113722.db2.gz WLZMQRYCJDXCDR-ABAIWWIYSA-N 1 0 338.795 2.811 20 5 EFBDRO COc1cc(NC[C@]2([NH+](C)C)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000351477985 146126580 /nfs/dbraw/zinc/12/65/80/146126580.db2.gz BBUSLNVEGBVCBQ-CQSZACIVSA-N 1 0 329.397 2.592 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351660261 146170972 /nfs/dbraw/zinc/17/09/72/146170972.db2.gz BNYLTPIQURADML-UMVBOHGHSA-N 1 0 333.432 2.999 20 5 EFBDRO CC(C)(C(=O)NCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000351722577 146187633 /nfs/dbraw/zinc/18/76/33/146187633.db2.gz PBTJFXJUWAXQPN-UHFFFAOYSA-N 1 0 338.367 2.837 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000352028845 146269903 /nfs/dbraw/zinc/26/99/03/146269903.db2.gz RXSZADYGBKQMJU-NSHDSACASA-N 1 0 327.331 2.901 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844041 146331584 /nfs/dbraw/zinc/33/15/84/146331584.db2.gz ABEQLEMRWKRNDV-IEBWSBKVSA-N 1 0 339.395 2.895 20 5 EFBDRO Cc1c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000352870430 146336751 /nfs/dbraw/zinc/33/67/51/146336751.db2.gz QUHIHGHYGXXFCK-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000355493649 146976885 /nfs/dbraw/zinc/97/68/85/146976885.db2.gz JHFSSMYUYHOVLG-WEVVVXLNSA-N 1 0 337.379 2.740 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000355738317 147049153 /nfs/dbraw/zinc/04/91/53/147049153.db2.gz RBWLEWOKGFBHSY-UHFFFAOYSA-N 1 0 336.388 2.910 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2cccc(F)c2o1 ZINC000355737444 147049600 /nfs/dbraw/zinc/04/96/00/147049600.db2.gz XVXFKBBAMPQREI-NSHDSACASA-N 1 0 345.330 2.993 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000355762048 147055988 /nfs/dbraw/zinc/05/59/88/147055988.db2.gz UKWHANSSVMOMCL-GOSISDBHSA-N 1 0 345.374 2.783 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000355815528 147073193 /nfs/dbraw/zinc/07/31/93/147073193.db2.gz SGEUODOLEZVFTN-UHFFFAOYSA-N 1 0 336.436 2.855 20 5 EFBDRO Nc1c(F)c(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000356174051 147167657 /nfs/dbraw/zinc/16/76/57/147167657.db2.gz RBVHFYKVPCMOOI-UHFFFAOYSA-N 1 0 330.363 2.786 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000356269720 147194873 /nfs/dbraw/zinc/19/48/73/147194873.db2.gz AJHZJLMUZLZLIU-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000356348865 147219547 /nfs/dbraw/zinc/21/95/47/147219547.db2.gz UABUBKUVOSHQNP-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H]1[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000357001599 147396452 /nfs/dbraw/zinc/39/64/52/147396452.db2.gz MRPYCDMFYBROLK-OLZOCXBDSA-N 1 0 330.388 2.774 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358287116 147761994 /nfs/dbraw/zinc/76/19/94/147761994.db2.gz CJKRPKAHJUUXKL-QGZVFWFLSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000359128275 148003850 /nfs/dbraw/zinc/00/38/50/148003850.db2.gz HIXCDBDUUTXIMA-KFWWJZLASA-N 1 0 333.432 2.857 20 5 EFBDRO Cc1c(Br)c(NC2(C[NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000359296451 148048202 /nfs/dbraw/zinc/04/82/02/148048202.db2.gz PBGULKCKBIRDFR-UHFFFAOYSA-N 1 0 343.225 2.957 20 5 EFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359541375 148115675 /nfs/dbraw/zinc/11/56/75/148115675.db2.gz DDPKWUHQHQGOHS-HIFRSBDPSA-N 1 0 345.399 2.976 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359744757 148178345 /nfs/dbraw/zinc/17/83/45/148178345.db2.gz QQIZQKUSBFUXGZ-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO Cc1cnc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000359898492 148218447 /nfs/dbraw/zinc/21/84/47/148218447.db2.gz KCADUAMBAYZTRG-IAGOWNOFSA-N 1 0 338.411 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC4CC4)CC3)nc2c1 ZINC000360330349 148332928 /nfs/dbraw/zinc/33/29/28/148332928.db2.gz SWTHRDXVYWOILI-UHFFFAOYSA-N 1 0 329.404 2.783 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000360392219 148350636 /nfs/dbraw/zinc/35/06/36/148350636.db2.gz FYDVAUVNFFICJI-NSHDSACASA-N 1 0 338.408 2.701 20 5 EFBDRO Cc1c(CNC(=O)c2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000360524810 148382872 /nfs/dbraw/zinc/38/28/72/148382872.db2.gz KOIUGWYHMLTMNO-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COc1ccc(C[NH2+]C[C@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000361734296 148687427 /nfs/dbraw/zinc/68/74/27/148687427.db2.gz OVLYMZGCDNJKLA-LJQANCHMSA-N 1 0 344.411 2.934 20 5 EFBDRO COc1cc(CN2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000363813452 149015166 /nfs/dbraw/zinc/01/51/66/149015166.db2.gz FXQYQDGROAZZSM-CYBMUJFWSA-N 1 0 338.379 2.991 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC2)CC1 ZINC000364629958 149201504 /nfs/dbraw/zinc/20/15/04/149201504.db2.gz JDZXKLIJFGMFDM-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000367979148 150000747 /nfs/dbraw/zinc/00/07/47/150000747.db2.gz XAUAVZKZBNOEAI-ZWKOTPCHSA-N 1 0 345.443 2.669 20 5 EFBDRO CC(C)(NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000368012109 150009038 /nfs/dbraw/zinc/00/90/38/150009038.db2.gz OHUVNXNYNQIPRV-JKSUJKDBSA-N 1 0 331.416 2.582 20 5 EFBDRO Cc1ccncc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368037110 150017430 /nfs/dbraw/zinc/01/74/30/150017430.db2.gz LRGKSTXQROAHHW-UHFFFAOYSA-N 1 0 329.404 2.764 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000368359068 150101457 /nfs/dbraw/zinc/10/14/57/150101457.db2.gz AXJDYTNZAUPTOG-LBPRGKRZSA-N 1 0 348.378 2.541 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368654802 150172312 /nfs/dbraw/zinc/17/23/12/150172312.db2.gz CPYDFHMMEQMDPG-ZDUSSCGKSA-N 1 0 336.388 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3C3CC3)co2)cc1 ZINC000368903386 150233778 /nfs/dbraw/zinc/23/37/78/150233778.db2.gz GJXDLPHJZNEHBZ-HOTGVXAUSA-N 1 0 329.356 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000369225570 150304582 /nfs/dbraw/zinc/30/45/82/150304582.db2.gz JKNKTFIXZNNLBN-UHFFFAOYSA-N 1 0 330.388 2.966 20 5 EFBDRO COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1OC ZINC000369556050 150388213 /nfs/dbraw/zinc/38/82/13/150388213.db2.gz ISQJNBRKEHARRK-UHFFFAOYSA-N 1 0 346.387 2.646 20 5 EFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000371285912 150768863 /nfs/dbraw/zinc/76/88/63/150768863.db2.gz XOPXJWUFWRVREJ-UHFFFAOYSA-N 1 0 325.368 2.575 20 5 EFBDRO Cc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc([N+](=O)[O-])c1 ZINC000371290691 150769647 /nfs/dbraw/zinc/76/96/47/150769647.db2.gz VRUNFOGDSNFBAM-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC000372426220 151003353 /nfs/dbraw/zinc/00/33/53/151003353.db2.gz LQSHPJURMATJAW-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372729625 151052540 /nfs/dbraw/zinc/05/25/40/151052540.db2.gz VYOVMONDLHDHSQ-DLBZAZTESA-N 1 0 330.388 2.507 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372856603 151071792 /nfs/dbraw/zinc/07/17/92/151071792.db2.gz IYUPXBDBUUZKKK-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3csc(C4CC4)n3)CC2)n1 ZINC000373241766 151139256 /nfs/dbraw/zinc/13/92/56/151139256.db2.gz KISUQHLINAQSEX-UHFFFAOYSA-N 1 0 333.417 2.962 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccccc3F)CC2)n1 ZINC000373248739 151141161 /nfs/dbraw/zinc/14/11/61/151141161.db2.gz ZCPNNFLCMSSEFR-UHFFFAOYSA-N 1 0 334.351 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000374313861 151320377 /nfs/dbraw/zinc/32/03/77/151320377.db2.gz YTIFSOVIBHNFFW-QZTJIDSGSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000374313868 151321266 /nfs/dbraw/zinc/32/12/66/151321266.db2.gz YTIFSOVIBHNFFW-ZWKOTPCHSA-N 1 0 339.395 2.731 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374326683 151323388 /nfs/dbraw/zinc/32/33/88/151323388.db2.gz GIDQHGXXKCSCHV-RTRPANQVSA-N 1 0 343.427 2.798 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374394995 151338303 /nfs/dbraw/zinc/33/83/03/151338303.db2.gz RNVYIYZTWJLQJZ-ZIAGYGMSSA-N 1 0 344.371 2.503 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000374440856 151348249 /nfs/dbraw/zinc/34/82/49/151348249.db2.gz YDDIDUNPUBEGOP-MRXNPFEDSA-N 1 0 331.416 2.761 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000374620099 151382614 /nfs/dbraw/zinc/38/26/14/151382614.db2.gz LNVLXJCROGSUHJ-RDJZCZTQSA-N 1 0 328.368 2.612 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376205869 151675072 /nfs/dbraw/zinc/67/50/72/151675072.db2.gz ULIYWCDGRPXVFF-DZGCQCFKSA-N 1 0 347.415 2.835 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378226589 152036020 /nfs/dbraw/zinc/03/60/20/152036020.db2.gz LPGBPIKBDAZXQV-QGZVFWFLSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1c(CC(=O)N2CCCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000378334166 152060644 /nfs/dbraw/zinc/06/06/44/152060644.db2.gz LEIGPXPESDFEPM-UHFFFAOYSA-N 1 0 331.416 2.533 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000378629796 152131968 /nfs/dbraw/zinc/13/19/68/152131968.db2.gz DOHSJOCXHVXXJA-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000408085670 152150127 /nfs/dbraw/zinc/15/01/27/152150127.db2.gz BSPSVXMIDNXDQG-AWEZNQCLSA-N 1 0 343.427 2.996 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 ZINC000408221106 152165732 /nfs/dbraw/zinc/16/57/32/152165732.db2.gz CTXFUFVGGBENCL-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000408349275 152179794 /nfs/dbraw/zinc/17/97/94/152179794.db2.gz IDMAWXDGMGXQGE-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000246677834 292283665 /nfs/dbraw/zinc/28/36/65/292283665.db2.gz INDFQVPJDAXFED-RBSFLKMASA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449569405 286804553 /nfs/dbraw/zinc/80/45/53/286804553.db2.gz GUFCNWLSBGEYIX-KBPBESRZSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418348053 286947810 /nfs/dbraw/zinc/94/78/10/286947810.db2.gz QYSNGVNZBPRQLI-ZIAGYGMSSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000123357502 222262568 /nfs/dbraw/zinc/26/25/68/222262568.db2.gz HIKPQKZXJDBFKU-TZMCWYRMSA-N 1 0 345.403 2.559 20 5 EFBDRO CNC(=O)c1ccc(Oc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000077982014 544476524 /nfs/dbraw/zinc/47/65/24/544476524.db2.gz PZHLEMNNOPXAPD-UHFFFAOYSA-N 1 0 338.323 2.932 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114199304 544571359 /nfs/dbraw/zinc/57/13/59/544571359.db2.gz KJJZFNMGTBUDCZ-CHWSQXEVSA-N 1 0 345.403 2.589 20 5 EFBDRO Cc1c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000114189606 544571085 /nfs/dbraw/zinc/57/10/85/544571085.db2.gz NESURPOTBFOQSN-SFHVURJKSA-N 1 0 344.411 2.913 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000181520181 544934135 /nfs/dbraw/zinc/93/41/35/544934135.db2.gz IBHOGRJEPLPEIC-QWHCGFSZSA-N 1 0 327.384 2.976 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000054457567 292650355 /nfs/dbraw/zinc/65/03/55/292650355.db2.gz QKSZYZWXCTXNEU-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045625291 272975233 /nfs/dbraw/zinc/97/52/33/272975233.db2.gz VFRPBSZYGXJEJK-GJZGRUSLSA-N 1 0 348.447 2.762 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000085289935 264631464 /nfs/dbraw/zinc/63/14/64/264631464.db2.gz MBIOAAJILJMUMR-NSHDSACASA-N 1 0 341.839 2.883 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000087024997 264641123 /nfs/dbraw/zinc/64/11/23/264641123.db2.gz STFWWJWRGSXACM-UHFFFAOYSA-N 1 0 346.431 2.537 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000181090412 264960777 /nfs/dbraw/zinc/96/07/77/264960777.db2.gz NMVROPXGGIXDTQ-UHFFFAOYSA-N 1 0 346.431 2.514 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000185401208 265041801 /nfs/dbraw/zinc/04/18/01/265041801.db2.gz ZNMLKKHUPKUREL-SJLPKXTDSA-N 1 0 347.459 2.962 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000185401190 265041929 /nfs/dbraw/zinc/04/19/29/265041929.db2.gz ZNMLKKHUPKUREL-FUHWJXTLSA-N 1 0 347.459 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000185806578 265049478 /nfs/dbraw/zinc/04/94/78/265049478.db2.gz NBSOWVBBJIYPTA-UHFFFAOYSA-N 1 0 330.331 2.839 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000186356205 265063846 /nfs/dbraw/zinc/06/38/46/265063846.db2.gz ZJSNOGANPXERMO-CYBMUJFWSA-N 1 0 335.404 2.860 20 5 EFBDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000188989983 265166429 /nfs/dbraw/zinc/16/64/29/265166429.db2.gz WHZABSHFHXGSCN-INIZCTEOSA-N 1 0 330.384 2.605 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000191591499 265269129 /nfs/dbraw/zinc/26/91/29/265269129.db2.gz BXBGLLFFYVMZDA-MRXNPFEDSA-N 1 0 334.397 2.877 20 5 EFBDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000191622009 265271023 /nfs/dbraw/zinc/27/10/23/265271023.db2.gz QNIVRCPKEMYUDD-AWEZNQCLSA-N 1 0 339.395 2.944 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269597722 265531611 /nfs/dbraw/zinc/53/16/11/265531611.db2.gz GSORXJBPJPQZCU-UHFFFAOYSA-N 1 0 333.432 2.779 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270272755 265669958 /nfs/dbraw/zinc/66/99/58/265669958.db2.gz UGCZIVIMURHODS-KRWDZBQOSA-N 1 0 345.443 2.636 20 5 EFBDRO Cc1ccc(C)n1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270468240 265723089 /nfs/dbraw/zinc/72/30/89/265723089.db2.gz BQPCORYGWIBDNP-UHFFFAOYSA-N 1 0 344.415 2.512 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270668733 265773751 /nfs/dbraw/zinc/77/37/51/265773751.db2.gz QRUSMSQFUJOMGH-JMSVASOKSA-N 1 0 345.403 2.588 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000270748034 265795465 /nfs/dbraw/zinc/79/54/65/265795465.db2.gz AENHOUKUKOTDGM-MRZGDXHCSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000271474829 265986349 /nfs/dbraw/zinc/98/63/49/265986349.db2.gz ITPPIWNPEWXCRG-JSGCOSHPSA-N 1 0 332.322 2.819 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000271653479 266033546 /nfs/dbraw/zinc/03/35/46/266033546.db2.gz JNEDUPHRWROKDF-ZDUSSCGKSA-N 1 0 343.383 2.917 20 5 EFBDRO COC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000271786180 266059626 /nfs/dbraw/zinc/05/96/26/266059626.db2.gz TWUUVYOYSCOBER-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271854645 266079650 /nfs/dbraw/zinc/07/96/50/266079650.db2.gz UQDVQAWFJNVTJZ-HKCMKHECSA-N 1 0 335.404 2.571 20 5 EFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271912272 266094883 /nfs/dbraw/zinc/09/48/83/266094883.db2.gz YDGFSCIATQDLBX-SUMWQHHRSA-N 1 0 349.431 2.699 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271992869 266117091 /nfs/dbraw/zinc/11/70/91/266117091.db2.gz GNNJFJLWTQUODC-DYVFJYSZSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000090537777 272996706 /nfs/dbraw/zinc/99/67/06/272996706.db2.gz FMSLCGIEKJRZDY-MRVPVSSYSA-N 1 0 345.222 2.966 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000272125920 266162584 /nfs/dbraw/zinc/16/25/84/266162584.db2.gz ALDUORLJNZUSND-SNVBAGLBSA-N 1 0 341.358 2.675 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272168163 266175349 /nfs/dbraw/zinc/17/53/49/266175349.db2.gz IVHAFYPPFIBGET-GFCCVEGCSA-N 1 0 344.415 2.878 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272223827 266195055 /nfs/dbraw/zinc/19/50/55/266195055.db2.gz SLXUDYJHAYITEU-YGRLFVJLSA-N 1 0 340.221 2.888 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000272247015 266203404 /nfs/dbraw/zinc/20/34/04/266203404.db2.gz YLBKMAHXRNGBTB-AWEZNQCLSA-N 1 0 349.431 2.552 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272316817 266226347 /nfs/dbraw/zinc/22/63/47/266226347.db2.gz JEMSYSHPHNBULQ-AWEZNQCLSA-N 1 0 341.358 2.629 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365437 266243317 /nfs/dbraw/zinc/24/33/17/266243317.db2.gz SVEQNFJQDFZVMO-ZFWWWQNUSA-N 1 0 343.383 2.828 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272371144 266244012 /nfs/dbraw/zinc/24/40/12/266244012.db2.gz GOAQDTPZMSOGTR-SNVBAGLBSA-N 1 0 348.346 2.762 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272413098 266257753 /nfs/dbraw/zinc/25/77/53/266257753.db2.gz LDVACMUYANMAAF-ZFWWWQNUSA-N 1 0 332.404 2.770 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272449911 266269996 /nfs/dbraw/zinc/26/99/96/266269996.db2.gz CBILDYUKNJYFSP-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])[NH+](C)C ZINC000097078711 272998629 /nfs/dbraw/zinc/99/86/29/272998629.db2.gz JXTQFMGGPGCQJG-MRXNPFEDSA-N 1 0 336.436 2.733 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550949 266304851 /nfs/dbraw/zinc/30/48/51/266304851.db2.gz SSBXSMDFMHLGDP-ZFWWWQNUSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272591084 266317190 /nfs/dbraw/zinc/31/71/90/266317190.db2.gz SYHGZKYDRPRLSA-GFCCVEGCSA-N 1 0 341.358 2.535 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272612609 266325745 /nfs/dbraw/zinc/32/57/45/266325745.db2.gz WXVPEKZKSDDQBF-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272682468 266350550 /nfs/dbraw/zinc/35/05/50/266350550.db2.gz VRINLMCJMWMVQM-FZMZJTMJSA-N 1 0 341.358 2.722 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](COC)OC ZINC000272700351 266355444 /nfs/dbraw/zinc/35/54/44/266355444.db2.gz RUGPNLYHDQXROY-QWHCGFSZSA-N 1 0 328.434 2.717 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272784473 266380993 /nfs/dbraw/zinc/38/09/93/266380993.db2.gz FNRATBYCFSQRFZ-KBPBESRZSA-N 1 0 348.403 2.694 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272851637 266399762 /nfs/dbraw/zinc/39/97/62/266399762.db2.gz QKMSIACQKOXZMA-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO C[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[NH2+]C1 ZINC000272993318 266434119 /nfs/dbraw/zinc/43/41/19/266434119.db2.gz LGEHRKMIHKZAHE-INIZCTEOSA-N 1 0 333.413 2.929 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000104413477 273003129 /nfs/dbraw/zinc/00/31/29/273003129.db2.gz HOVOWWZOTQQWFK-HEWZJLJBSA-N 1 0 335.379 2.690 20 5 EFBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cn1 ZINC000274038787 266603501 /nfs/dbraw/zinc/60/35/01/266603501.db2.gz XNXANRSBEJIZJN-UHFFFAOYSA-N 1 0 335.433 2.795 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275241212 266771547 /nfs/dbraw/zinc/77/15/47/266771547.db2.gz OOXKQMHOZATHRK-HOTGVXAUSA-N 1 0 335.404 2.779 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108329812 273009117 /nfs/dbraw/zinc/00/91/17/273009117.db2.gz XXFDMQBVUKWRDC-QWHCGFSZSA-N 1 0 337.445 2.533 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000276217490 266943903 /nfs/dbraw/zinc/94/39/03/266943903.db2.gz MCTQSGUAACPGIL-UHFFFAOYSA-N 1 0 327.812 2.591 20 5 EFBDRO CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000276559354 267012355 /nfs/dbraw/zinc/01/23/55/267012355.db2.gz LFFOJINXKMFNNW-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO CC(C)(C)n1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000276641651 267028195 /nfs/dbraw/zinc/02/81/95/267028195.db2.gz QYZKGSFQXVZAPQ-UHFFFAOYSA-N 1 0 337.811 2.927 20 5 EFBDRO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000276824315 267056708 /nfs/dbraw/zinc/05/67/08/267056708.db2.gz AELRJNYLWOQWEK-AWEZNQCLSA-N 1 0 348.399 2.769 20 5 EFBDRO CCOc1cc(CN(CC)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000276848586 267061231 /nfs/dbraw/zinc/06/12/31/267061231.db2.gz DHDFHPLBJKITET-ZDUSSCGKSA-N 1 0 336.310 2.739 20 5 EFBDRO CCOc1cc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276899102 267071645 /nfs/dbraw/zinc/07/16/45/267071645.db2.gz LLUCUFLNBFSWCX-OCCSQVGLSA-N 1 0 336.388 2.625 20 5 EFBDRO CCOC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277381226 267167910 /nfs/dbraw/zinc/16/79/10/267167910.db2.gz ILDGWVNRDFTKPJ-CYBMUJFWSA-N 1 0 348.403 2.595 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277400791 267172580 /nfs/dbraw/zinc/17/25/80/267172580.db2.gz YMFIMZPWEUWEDQ-INIZCTEOSA-N 1 0 348.447 2.730 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000277579027 267203284 /nfs/dbraw/zinc/20/32/84/267203284.db2.gz LZUUIRKJCLVFKG-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277637677 267218991 /nfs/dbraw/zinc/21/89/91/267218991.db2.gz XSHKPHGYTVKYGT-OAHLLOKOSA-N 1 0 349.456 2.820 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000277638788 267219470 /nfs/dbraw/zinc/21/94/70/267219470.db2.gz TVBIMOLNBHOVDD-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000277683213 267233490 /nfs/dbraw/zinc/23/34/90/267233490.db2.gz YTQODJJONJCDSA-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000277692088 267235966 /nfs/dbraw/zinc/23/59/66/267235966.db2.gz ZRRRDSDDXCGMCQ-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000277818914 267270959 /nfs/dbraw/zinc/27/09/59/267270959.db2.gz QCIKOBCQPHWBDR-GFCCVEGCSA-N 1 0 326.828 2.604 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000277929799 267300805 /nfs/dbraw/zinc/30/08/05/267300805.db2.gz FSVUOVUSZQUYTI-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278017981 267321987 /nfs/dbraw/zinc/32/19/87/267321987.db2.gz MMUQOUVLASHVLS-NSHDSACASA-N 1 0 328.800 2.556 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278059583 267330920 /nfs/dbraw/zinc/33/09/20/267330920.db2.gz NBIXVHYCGNYKIK-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278070108 267334425 /nfs/dbraw/zinc/33/44/25/267334425.db2.gz SXMQRPNJZFETNW-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278255959 267382553 /nfs/dbraw/zinc/38/25/53/267382553.db2.gz NCDLAFAYWBZHBO-MRXNPFEDSA-N 1 0 333.388 2.793 20 5 EFBDRO Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278685268 267524717 /nfs/dbraw/zinc/52/47/17/267524717.db2.gz LLRJQKCSYLDKIL-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176100549 273031403 /nfs/dbraw/zinc/03/14/03/273031403.db2.gz KAZWSSVPBOYHPZ-KBPBESRZSA-N 1 0 336.436 2.994 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176140570 273031680 /nfs/dbraw/zinc/03/16/80/273031680.db2.gz CTVRLAPDWVUYFY-CYBMUJFWSA-N 1 0 334.420 2.605 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000177609032 273038100 /nfs/dbraw/zinc/03/81/00/273038100.db2.gz KSLIJWMQHNCJTL-QWHCGFSZSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000194292428 273068016 /nfs/dbraw/zinc/06/80/16/273068016.db2.gz PQYJZGWMNUMDGR-BQYQJAHWSA-N 1 0 331.416 2.987 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC000237560691 273071501 /nfs/dbraw/zinc/07/15/01/273071501.db2.gz YMIJBUNWKKVDEP-UGSOOPFHSA-N 1 0 339.395 2.816 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000269640122 273086815 /nfs/dbraw/zinc/08/68/15/273086815.db2.gz NTZXREPBZAFQOG-LLVKDONJSA-N 1 0 341.358 2.786 20 5 EFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000269666447 273087815 /nfs/dbraw/zinc/08/78/15/273087815.db2.gz SIMSJDPOELJBIC-RBUKOAKNSA-N 1 0 342.395 2.874 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000269667569 273087975 /nfs/dbraw/zinc/08/79/75/273087975.db2.gz SXIDUBGACDNHHX-SFHVURJKSA-N 1 0 333.432 2.579 20 5 EFBDRO COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc2c1OCO2 ZINC000271094944 273096615 /nfs/dbraw/zinc/09/66/15/273096615.db2.gz YGXRNTUEHSLRPG-UHFFFAOYSA-N 1 0 330.340 2.964 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1=O ZINC000271116592 273098855 /nfs/dbraw/zinc/09/88/55/273098855.db2.gz INWNOZIUFGRVEJ-CHWSQXEVSA-N 1 0 337.445 2.724 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCCOC ZINC000271121952 273099426 /nfs/dbraw/zinc/09/94/26/273099426.db2.gz JRFQUGOSVYQACW-CYBMUJFWSA-N 1 0 328.434 2.718 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N(C)C ZINC000271143739 273101685 /nfs/dbraw/zinc/10/16/85/273101685.db2.gz OVAYBKXNDMJFBS-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[NH+](CC)CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000191231591 273636068 /nfs/dbraw/zinc/63/60/68/273636068.db2.gz FHUQBJZVPKTYTP-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273638703 273116064 /nfs/dbraw/zinc/11/60/64/273116064.db2.gz UFDQREVPNDGJAU-YQBWCRNHSA-N 1 0 332.400 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(Cl)c1 ZINC000274236355 273126373 /nfs/dbraw/zinc/12/63/73/273126373.db2.gz GLBUIGVOTQXGKX-UHFFFAOYSA-N 1 0 338.820 2.883 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274261628 273128422 /nfs/dbraw/zinc/12/84/22/273128422.db2.gz NINQTYNNRFBRRS-HWKANZROSA-N 1 0 330.413 2.743 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277067770 273145612 /nfs/dbraw/zinc/14/56/12/273145612.db2.gz IOGDXAJPNAYBDI-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000277369609 273153313 /nfs/dbraw/zinc/15/33/13/273153313.db2.gz VIQNMPWTFURECN-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277411832 273153568 /nfs/dbraw/zinc/15/35/68/273153568.db2.gz ZJXJSVXDWCJYGY-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003420 273165432 /nfs/dbraw/zinc/16/54/32/273165432.db2.gz GCEAYIZWNOAAGW-NHYWBVRUSA-N 1 0 340.445 2.730 20 5 EFBDRO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000279004637 273165556 /nfs/dbraw/zinc/16/55/56/273165556.db2.gz GYHVDHKQOGUNQQ-UHFFFAOYSA-N 1 0 345.443 2.863 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279020616 273167311 /nfs/dbraw/zinc/16/73/11/273167311.db2.gz HOKBPZWTZYCHRO-QGZVFWFLSA-N 1 0 333.432 2.629 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279058423 273171801 /nfs/dbraw/zinc/17/18/01/273171801.db2.gz KPLYRTZNXIFBST-MLGOLLRUSA-N 1 0 331.416 2.918 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000279062046 273172193 /nfs/dbraw/zinc/17/21/93/273172193.db2.gz LQCCLZNRUIETTB-WBVHZDCISA-N 1 0 338.404 2.666 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279079942 273174336 /nfs/dbraw/zinc/17/43/36/273174336.db2.gz MMMNNNDJBZFPKX-SUMWQHHRSA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279119331 273178700 /nfs/dbraw/zinc/17/87/00/273178700.db2.gz PZDQBSHPQHYYIQ-OAHLLOKOSA-N 1 0 333.388 2.749 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279156076 273182852 /nfs/dbraw/zinc/18/28/52/273182852.db2.gz TTYGUQGONQMEJX-DYVFJYSZSA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212906 273189117 /nfs/dbraw/zinc/18/91/17/273189117.db2.gz YJVIOEBPJRVYAJ-DLBZAZTESA-N 1 0 334.416 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3CCO)co2)cc1 ZINC000279254116 273193674 /nfs/dbraw/zinc/19/36/74/273193674.db2.gz LKZAIKIDHZRHPG-BLLLJJGKSA-N 1 0 331.372 2.891 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000279271666 273196124 /nfs/dbraw/zinc/19/61/24/273196124.db2.gz JGSDWQCRPGLJDQ-MRXNPFEDSA-N 1 0 339.367 2.563 20 5 EFBDRO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000279317624 273202177 /nfs/dbraw/zinc/20/21/77/273202177.db2.gz OIIMCIMSBRWBOK-LBPRGKRZSA-N 1 0 333.310 2.570 20 5 EFBDRO CO[C@]1(C)CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000279378245 273208699 /nfs/dbraw/zinc/20/86/99/273208699.db2.gz SNDUECHLSWZMOC-MRXNPFEDSA-N 1 0 332.360 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279389438 273210039 /nfs/dbraw/zinc/21/00/39/273210039.db2.gz UDZMUMGBPIDFCJ-GUYCJALGSA-N 1 0 347.415 2.731 20 5 EFBDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279581348 273230630 /nfs/dbraw/zinc/23/06/30/273230630.db2.gz UNONDPDWSWPKOT-VIFPVBQESA-N 1 0 333.310 2.570 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279632025 273236206 /nfs/dbraw/zinc/23/62/06/273236206.db2.gz ZHBRHQJFURJURQ-ZDUSSCGKSA-N 1 0 345.399 2.851 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279690639 273242542 /nfs/dbraw/zinc/24/25/42/273242542.db2.gz PSMLHQLVFNFCKM-SFHVURJKSA-N 1 0 344.415 2.732 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000279702515 273243784 /nfs/dbraw/zinc/24/37/84/273243784.db2.gz HCIPTKFULWSEPN-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000279766360 273251013 /nfs/dbraw/zinc/25/10/13/273251013.db2.gz MRCPQMOLBSLCPX-HNNXBMFYSA-N 1 0 335.404 2.670 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000279804500 273255270 /nfs/dbraw/zinc/25/52/70/273255270.db2.gz PKTZUVCRMIPRQZ-UKRRQHHQSA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000279804502 273255303 /nfs/dbraw/zinc/25/53/03/273255303.db2.gz PKTZUVCRMIPRQZ-ZFWWWQNUSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279978917 273277012 /nfs/dbraw/zinc/27/70/12/273277012.db2.gz ZIYFZLGOSZRVDQ-WFASDCNBSA-N 1 0 346.387 2.770 20 5 EFBDRO CCC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000280044147 273284307 /nfs/dbraw/zinc/28/43/07/273284307.db2.gz MOANGVZSZFKCAA-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000280109504 273291657 /nfs/dbraw/zinc/29/16/57/273291657.db2.gz AZCOIJCKJHIAHL-KRWDZBQOSA-N 1 0 329.356 2.552 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)o1 ZINC000280150544 273296354 /nfs/dbraw/zinc/29/63/54/273296354.db2.gz AHEQVTRBULHHNX-KGLIPLIRSA-N 1 0 346.383 2.589 20 5 EFBDRO Cc1ccnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280457279 273330201 /nfs/dbraw/zinc/33/02/01/273330201.db2.gz LRVCGCSNTOXISG-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280557779 273340792 /nfs/dbraw/zinc/34/07/92/273340792.db2.gz QXNFTPNPUFEJPX-QGZVFWFLSA-N 1 0 343.383 2.522 20 5 EFBDRO Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280559680 273340963 /nfs/dbraw/zinc/34/09/63/273340963.db2.gz UPTPQBWNUAVVTC-FZKQIMNGSA-N 1 0 343.383 2.836 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](CC2CCC2)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000280647356 273350641 /nfs/dbraw/zinc/35/06/41/273350641.db2.gz YVTRGRAHRAHIMJ-CYBMUJFWSA-N 1 0 349.431 2.715 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280679829 273354900 /nfs/dbraw/zinc/35/49/00/273354900.db2.gz QBNDSOWNSYAOOZ-JTQLQIEISA-N 1 0 345.802 2.776 20 5 EFBDRO CCC(=O)c1ccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280776775 273365467 /nfs/dbraw/zinc/36/54/67/273365467.db2.gz SKIOBNZAXVIAFW-GDBMZVCRSA-N 1 0 337.445 2.669 20 5 EFBDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280843220 273372821 /nfs/dbraw/zinc/37/28/21/273372821.db2.gz AWFNYPVQUYLQGS-CQSZACIVSA-N 1 0 326.418 2.603 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000280959467 273385634 /nfs/dbraw/zinc/38/56/34/273385634.db2.gz NCKZDPJZLYBVOR-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO O=c1[nH]c(NCC[NH+]2CCCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280971455 273387007 /nfs/dbraw/zinc/38/70/07/273387007.db2.gz MDUSCMFBSXXEOU-UHFFFAOYSA-N 1 0 331.376 2.532 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281684373 273459372 /nfs/dbraw/zinc/45/93/72/273459372.db2.gz KVIIFZGDTDXTNF-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000281796634 273470125 /nfs/dbraw/zinc/47/01/25/273470125.db2.gz SQOYYERDBHILQP-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281808041 273471407 /nfs/dbraw/zinc/47/14/07/273471407.db2.gz YUJHCPZZKAIOTC-ZOBUZTSGSA-N 1 0 345.443 2.907 20 5 EFBDRO CCC(CC)(CCO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282363213 273552009 /nfs/dbraw/zinc/55/20/09/273552009.db2.gz DKMKDLPSXAPDNB-UHFFFAOYSA-N 1 0 334.376 2.676 20 5 EFBDRO CCC(CC)(CCO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282472470 273567710 /nfs/dbraw/zinc/56/77/10/273567710.db2.gz NWXAZECFOFEQAW-UHFFFAOYSA-N 1 0 334.376 2.676 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000282528179 273575896 /nfs/dbraw/zinc/57/58/96/273575896.db2.gz URPKELDGZOEAOO-UHFFFAOYSA-N 1 0 337.420 2.763 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000282581602 273583817 /nfs/dbraw/zinc/58/38/17/273583817.db2.gz BIVRILKICPATAS-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000282622567 273590345 /nfs/dbraw/zinc/59/03/45/273590345.db2.gz CWSFXXIVGKWLMT-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCO[C@H]21 ZINC000344680564 273593340 /nfs/dbraw/zinc/59/33/40/273593340.db2.gz NZSPRINOBIOIDN-USXIJHARSA-N 1 0 348.399 2.755 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000282829272 273624970 /nfs/dbraw/zinc/62/49/70/273624970.db2.gz LHQNINFIVSZYLE-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCF ZINC000282842244 273627651 /nfs/dbraw/zinc/62/76/51/273627651.db2.gz SUFLKTFUKSQZLN-VXGBXAGGSA-N 1 0 343.424 2.529 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000282995136 273651669 /nfs/dbraw/zinc/65/16/69/273651669.db2.gz NGJMUERIVFLDFV-MRXNPFEDSA-N 1 0 340.383 2.991 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000283159116 273678838 /nfs/dbraw/zinc/67/88/38/273678838.db2.gz OXWOZRXYSCBSPU-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283232930 273689568 /nfs/dbraw/zinc/68/95/68/273689568.db2.gz UGLQCRUGZHLRLE-MRXNPFEDSA-N 1 0 334.347 2.956 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413321740 273716487 /nfs/dbraw/zinc/71/64/87/273716487.db2.gz RJPMMVUYALSIMG-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995731 273784298 /nfs/dbraw/zinc/78/42/98/273784298.db2.gz HOMYXQFZFSIIGC-OCCSQVGLSA-N 1 0 347.390 2.818 20 5 EFBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284208494 273810086 /nfs/dbraw/zinc/81/00/86/273810086.db2.gz SVZCNKDBBQTUOK-INIZCTEOSA-N 1 0 337.376 2.924 20 5 EFBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285078978 273938221 /nfs/dbraw/zinc/93/82/21/273938221.db2.gz JMAJBWLIJRSYKE-GTNSWQLSSA-N 1 0 333.363 2.874 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285412000 273995035 /nfs/dbraw/zinc/99/50/35/273995035.db2.gz XTHMDTDNYYQHLM-NSHDSACASA-N 1 0 347.444 2.953 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000425278789 274017209 /nfs/dbraw/zinc/01/72/09/274017209.db2.gz ZOGLNDBKGWELPQ-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000285565559 274026658 /nfs/dbraw/zinc/02/66/58/274026658.db2.gz GHRLZGXSRBMBOG-LBPRGKRZSA-N 1 0 326.418 2.603 20 5 EFBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285619119 274039356 /nfs/dbraw/zinc/03/93/56/274039356.db2.gz QNJAEBYKFHOSIZ-ZTFGCOKTSA-N 1 0 344.415 2.625 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285624587 274040279 /nfs/dbraw/zinc/04/02/79/274040279.db2.gz KNIOSLJWPCZQFH-DGCLKSJQSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000285629634 274041318 /nfs/dbraw/zinc/04/13/18/274041318.db2.gz XCCAGXBZGFGCGY-HIFRSBDPSA-N 1 0 344.415 2.758 20 5 EFBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000285629629 274041383 /nfs/dbraw/zinc/04/13/83/274041383.db2.gz XCCAGXBZGFGCGY-DZGCQCFKSA-N 1 0 344.415 2.758 20 5 EFBDRO CCOC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000285706124 274057589 /nfs/dbraw/zinc/05/75/89/274057589.db2.gz CYRXHLIFMMZWDY-AWEZNQCLSA-N 1 0 326.393 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285709505 274058200 /nfs/dbraw/zinc/05/82/00/274058200.db2.gz WHSPKMMUVBWDOA-CQSZACIVSA-N 1 0 332.322 2.917 20 5 EFBDRO Cc1c(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285848035 274086420 /nfs/dbraw/zinc/08/64/20/274086420.db2.gz PDYDIHLISQDQLG-XJKSGUPXSA-N 1 0 331.416 2.531 20 5 EFBDRO Cc1c(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285848031 274086463 /nfs/dbraw/zinc/08/64/63/274086463.db2.gz PDYDIHLISQDQLG-CJNGLKHVSA-N 1 0 331.416 2.531 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285895885 274096114 /nfs/dbraw/zinc/09/61/14/274096114.db2.gz RPIQLBUXHUVVOQ-CZUORRHYSA-N 1 0 331.416 2.856 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000285912736 274099068 /nfs/dbraw/zinc/09/90/68/274099068.db2.gz SKJPNFFTJLFTNG-RIEFBQKVSA-N 1 0 329.400 2.693 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCC[C@@H]3CCO)o2)c1 ZINC000285959044 274107233 /nfs/dbraw/zinc/10/72/33/274107233.db2.gz DFZBIVCYJPFJSI-CJNGLKHVSA-N 1 0 345.399 2.933 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000285966733 274108417 /nfs/dbraw/zinc/10/84/17/274108417.db2.gz DNFWSXOSSLXTLO-LBPRGKRZSA-N 1 0 326.418 2.810 20 5 EFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000286088464 274130981 /nfs/dbraw/zinc/13/09/81/274130981.db2.gz KMBAYQRNMPABOA-CYBMUJFWSA-N 1 0 343.811 2.837 20 5 EFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091564 274131508 /nfs/dbraw/zinc/13/15/08/274131508.db2.gz SVRTUASDAQWTOF-UONOGXRCSA-N 1 0 335.404 2.549 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000286144395 274142253 /nfs/dbraw/zinc/14/22/53/274142253.db2.gz VQVHGFRAXOSANQ-HLLBOEOZSA-N 1 0 333.432 2.759 20 5 EFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286193445 274151204 /nfs/dbraw/zinc/15/12/04/274151204.db2.gz PSUUYOGNODAYRQ-HOCLYGCPSA-N 1 0 349.456 2.748 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000286224952 274157141 /nfs/dbraw/zinc/15/71/41/274157141.db2.gz BONXEXYJPXOJCJ-LBPRGKRZSA-N 1 0 325.359 2.791 20 5 EFBDRO Cc1cc(NCCC2(O)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286227130 274157813 /nfs/dbraw/zinc/15/78/13/274157813.db2.gz DKMHRZRUSJBCOH-UHFFFAOYSA-N 1 0 331.372 2.795 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286261138 274164431 /nfs/dbraw/zinc/16/44/31/274164431.db2.gz AXGLSRZATHUKFY-LERXQTSPSA-N 1 0 332.360 2.551 20 5 EFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000286286510 274169918 /nfs/dbraw/zinc/16/99/18/274169918.db2.gz UXEFUBGHVCUIOW-ZDUSSCGKSA-N 1 0 343.811 2.837 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286333966 274180301 /nfs/dbraw/zinc/18/03/01/274180301.db2.gz LQXJXZVTRRWWLF-GXTWGEPZSA-N 1 0 344.415 2.543 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(F)cn1 ZINC000341275461 274206391 /nfs/dbraw/zinc/20/63/91/274206391.db2.gz KJGZQHDCDRMRHX-NSHDSACASA-N 1 0 332.335 2.636 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348146033 274245452 /nfs/dbraw/zinc/24/54/52/274245452.db2.gz MOKGWKFFAUAKCJ-GHMZBOCLSA-N 1 0 341.795 2.591 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286698511 274254224 /nfs/dbraw/zinc/25/42/24/274254224.db2.gz PUNJKGJQBJWGNN-UHFFFAOYSA-N 1 0 345.399 2.711 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000286702741 274255051 /nfs/dbraw/zinc/25/50/51/274255051.db2.gz AFDPASFULCMMHI-CABCVRRESA-N 1 0 331.416 2.909 20 5 EFBDRO COc1ccc(OCCN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286715232 274257956 /nfs/dbraw/zinc/25/79/56/274257956.db2.gz CBZOUJCPZMXXAC-ZBFHGGJFSA-N 1 0 349.431 2.541 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286757268 274267206 /nfs/dbraw/zinc/26/72/06/274267206.db2.gz FQBXXMFVAJHZLD-SWLSCSKDSA-N 1 0 337.395 2.801 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000286800559 274275770 /nfs/dbraw/zinc/27/57/70/274275770.db2.gz KMFWPNCXKWBSSA-DLBZAZTESA-N 1 0 349.456 2.813 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286823171 274280603 /nfs/dbraw/zinc/28/06/03/274280603.db2.gz CLDVLTLTTYKOCM-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286823166 274280681 /nfs/dbraw/zinc/28/06/81/274280681.db2.gz CLDVLTLTTYKOCM-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000286846287 274285602 /nfs/dbraw/zinc/28/56/02/274285602.db2.gz XPNGQYRXLJKFKM-HOTGVXAUSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183563629 274289826 /nfs/dbraw/zinc/28/98/26/274289826.db2.gz WIZZQYKZIXPUOA-GFCCVEGCSA-N 1 0 335.408 2.622 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC1CC[NH+](C)CC1 ZINC000286883146 274292875 /nfs/dbraw/zinc/29/28/75/274292875.db2.gz DIMDWDQPJMEWPM-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286926254 274302287 /nfs/dbraw/zinc/30/22/87/274302287.db2.gz LDSZADVGJUBYOT-JSGCOSHPSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287000927 274319488 /nfs/dbraw/zinc/31/94/88/274319488.db2.gz HJGFTYULMNGEPV-SMDDNHRTSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000287031977 274326114 /nfs/dbraw/zinc/32/61/14/274326114.db2.gz IIQMWXUBNNHWKT-MOIGAOQCSA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287047957 274329596 /nfs/dbraw/zinc/32/95/96/274329596.db2.gz SNXZLRPAYORARL-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287194254 274364847 /nfs/dbraw/zinc/36/48/47/274364847.db2.gz PDBYDQBDEVTQIC-PBHICJAKSA-N 1 0 331.416 2.613 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287511786 274436084 /nfs/dbraw/zinc/43/60/84/274436084.db2.gz JVRVVNVNBVCDOQ-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000288108722 274528808 /nfs/dbraw/zinc/52/88/08/274528808.db2.gz IOZMGSHBKZIRHR-ABAIWWIYSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000090088218 274756519 /nfs/dbraw/zinc/75/65/19/274756519.db2.gz GLWJOKGBPIAUAZ-SNVBAGLBSA-N 1 0 333.310 2.575 20 5 EFBDRO CCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289560891 274782152 /nfs/dbraw/zinc/78/21/52/274782152.db2.gz FZOVURVLZGBESD-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000289704544 274806940 /nfs/dbraw/zinc/80/69/40/274806940.db2.gz GGQMVSYKRYVAJB-UHFFFAOYSA-N 1 0 331.420 2.591 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360270214 274807112 /nfs/dbraw/zinc/80/71/12/274807112.db2.gz DJEKIIKEUOPIQU-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO O=C1C[C@@]2(CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CN1 ZINC000278888575 275020208 /nfs/dbraw/zinc/02/02/08/275020208.db2.gz NZJIDMDQANSTNQ-NRFANRHFSA-N 1 0 348.402 2.658 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000368713388 275026173 /nfs/dbraw/zinc/02/61/73/275026173.db2.gz VKHGQSTURARORB-SFHVURJKSA-N 1 0 341.342 2.830 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000267013763 275033338 /nfs/dbraw/zinc/03/33/38/275033338.db2.gz HJZQTEGBIASQFX-UHFFFAOYSA-N 1 0 325.796 2.549 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)nc1-c1ccccc1 ZINC000341269469 275034974 /nfs/dbraw/zinc/03/49/74/275034974.db2.gz NGAZQAMRDWVIFB-UHFFFAOYSA-N 1 0 326.400 2.977 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)nc1-c1ccccc1 ZINC000341277760 275035050 /nfs/dbraw/zinc/03/50/50/275035050.db2.gz HXTQNHYZRKRVOQ-UHFFFAOYSA-N 1 0 344.440 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525911 275035076 /nfs/dbraw/zinc/03/50/76/275035076.db2.gz OWRSXCGAEVWGGE-GOSISDBHSA-N 1 0 330.359 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161917501 275036914 /nfs/dbraw/zinc/03/69/14/275036914.db2.gz NCEJMPUGHLYFNP-DOMZBBRYSA-N 1 0 346.387 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)CCC2 ZINC000447600049 275037824 /nfs/dbraw/zinc/03/78/24/275037824.db2.gz LNVGMEYCLMBQAQ-HOCLYGCPSA-N 1 0 338.429 2.529 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)CC(F)F ZINC000429452303 275040135 /nfs/dbraw/zinc/04/01/35/275040135.db2.gz LQJAJYFWUVUILN-FPMFFAJLSA-N 1 0 328.359 2.912 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000170905556 275040258 /nfs/dbraw/zinc/04/02/58/275040258.db2.gz WLXIIKCFWFBOPE-UHFFFAOYSA-N 1 0 343.431 2.784 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000342442929 275472792 /nfs/dbraw/zinc/47/27/92/275472792.db2.gz PNEABLUVBTUABA-YQBWCRNHSA-N 1 0 343.427 2.845 20 5 EFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000193012702 275513961 /nfs/dbraw/zinc/51/39/61/275513961.db2.gz PPKPTWKIXUBFIW-BBRMVZONSA-N 1 0 331.416 2.961 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000354730130 275665811 /nfs/dbraw/zinc/66/58/11/275665811.db2.gz ZGNPSYQPTGQKEC-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000430711788 275816068 /nfs/dbraw/zinc/81/60/68/275816068.db2.gz XNRPQTRAMOAYIC-OAHLLOKOSA-N 1 0 331.372 2.849 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000358274830 276011347 /nfs/dbraw/zinc/01/13/47/276011347.db2.gz LYQVKXQBZUJLEM-ZDUSSCGKSA-N 1 0 336.392 2.599 20 5 EFBDRO CCC[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346645221 276049699 /nfs/dbraw/zinc/04/96/99/276049699.db2.gz BLNCHIVEDLVPCK-AWEZNQCLSA-N 1 0 325.384 2.671 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000060453341 276325827 /nfs/dbraw/zinc/32/58/27/276325827.db2.gz YTEZIHSPFYXPET-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338047753 276332888 /nfs/dbraw/zinc/33/28/88/276332888.db2.gz DGICIDCRGKNFNX-AWEZNQCLSA-N 1 0 336.436 2.509 20 5 EFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339089991 276361079 /nfs/dbraw/zinc/36/10/79/276361079.db2.gz FHKYAANKFBKKJN-KGLIPLIRSA-N 1 0 348.321 2.897 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000422844940 276402741 /nfs/dbraw/zinc/40/27/41/276402741.db2.gz NFKLRYFMWCRIBK-NWDGAFQWSA-N 1 0 337.445 2.906 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523713 276556562 /nfs/dbraw/zinc/55/65/62/276556562.db2.gz FQGZXLDQTNCTQF-QWHCGFSZSA-N 1 0 337.395 2.780 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269120877 277157364 /nfs/dbraw/zinc/15/73/64/277157364.db2.gz SROKVPIQTJFCMU-IUODEOHRSA-N 1 0 343.383 2.897 20 5 EFBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435385718 277286304 /nfs/dbraw/zinc/28/63/04/277286304.db2.gz SXLDXYQSROERNT-CYBMUJFWSA-N 1 0 345.399 2.905 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635481 277647274 /nfs/dbraw/zinc/64/72/74/277647274.db2.gz ZPLQQKYSEZVJJY-OIISXLGYSA-N 1 0 344.415 2.822 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453329151 277669280 /nfs/dbraw/zinc/66/92/80/277669280.db2.gz UNUWEGOOHHKGHV-JCURWCKSSA-N 1 0 334.416 2.958 20 5 EFBDRO COc1ccccc1C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000348283059 278050779 /nfs/dbraw/zinc/05/07/79/278050779.db2.gz UWBVDCKDHFTUKG-CQSZACIVSA-N 1 0 332.404 2.694 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346126863 278082659 /nfs/dbraw/zinc/08/26/59/278082659.db2.gz GYVSKCUOEPKAQO-DOMZBBRYSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCCC1 ZINC000359630456 278142344 /nfs/dbraw/zinc/14/23/44/278142344.db2.gz FNRNENXBHSNKRH-CQSZACIVSA-N 1 0 347.415 2.580 20 5 EFBDRO CS[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000345077547 278156897 /nfs/dbraw/zinc/15/68/97/278156897.db2.gz USTYADXNGCMUMB-HZPDHXFCSA-N 1 0 346.456 2.933 20 5 EFBDRO CS[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000347772875 278167977 /nfs/dbraw/zinc/16/79/77/278167977.db2.gz YLOXCQXHKWPUQF-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000449154069 278220796 /nfs/dbraw/zinc/22/07/96/278220796.db2.gz LROFWALKKPWMNI-KBMXLJTQSA-N 1 0 333.432 2.762 20 5 EFBDRO CC(C)(C(=O)NCC[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429840636 278272744 /nfs/dbraw/zinc/27/27/44/278272744.db2.gz VRGFDNLXMWCNLU-UHFFFAOYSA-N 1 0 333.432 2.865 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1 ZINC000349693254 278357880 /nfs/dbraw/zinc/35/78/80/278357880.db2.gz MORAVBKHBBKUQW-GFCCVEGCSA-N 1 0 325.368 2.732 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c([N+](=O)[O-])c1 ZINC000345708133 278834662 /nfs/dbraw/zinc/83/46/62/278834662.db2.gz IPFGWSWCFXZXQH-KDOFPFPSSA-N 1 0 348.447 2.729 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160453377 278872740 /nfs/dbraw/zinc/87/27/40/278872740.db2.gz JUVAEAVXMQDAMZ-GDBMZVCRSA-N 1 0 329.404 2.941 20 5 EFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000357860824 278964694 /nfs/dbraw/zinc/96/46/94/278964694.db2.gz XATHFQGEWVKNPP-GUYCJALGSA-N 1 0 344.415 2.663 20 5 EFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000112925748 279033004 /nfs/dbraw/zinc/03/30/04/279033004.db2.gz MYJKFEWOFKVBFS-AWEZNQCLSA-N 1 0 348.447 2.513 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269356865 279101512 /nfs/dbraw/zinc/10/15/12/279101512.db2.gz IGDZDMGHUJINLI-LBPRGKRZSA-N 1 0 339.440 2.682 20 5 EFBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000447642896 279103328 /nfs/dbraw/zinc/10/33/28/279103328.db2.gz DKYYSEURYUANCU-UHFFFAOYSA-N 1 0 331.420 2.677 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350249944 279110668 /nfs/dbraw/zinc/11/06/68/279110668.db2.gz JMWPWGFKPACTIR-AWEZNQCLSA-N 1 0 339.411 2.667 20 5 EFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288792 279270610 /nfs/dbraw/zinc/27/06/10/279270610.db2.gz OCKFVHDCXJYHDX-ABAIWWIYSA-N 1 0 340.445 2.730 20 5 EFBDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531653 279275648 /nfs/dbraw/zinc/27/56/48/279275648.db2.gz SCBCXZMELHOREX-OWCLPIDISA-N 1 0 335.452 2.739 20 5 EFBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000175675431 279345683 /nfs/dbraw/zinc/34/56/83/279345683.db2.gz RMQNBZDYDPKBPZ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000043750410 279345907 /nfs/dbraw/zinc/34/59/07/279345907.db2.gz JJXDUTQFIVKVEU-CQSZACIVSA-N 1 0 339.395 2.771 20 5 EFBDRO CC[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000358910355 279508367 /nfs/dbraw/zinc/50/83/67/279508367.db2.gz BVWZFHCQPPHLOR-KBPBESRZSA-N 1 0 348.447 2.559 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449758742 279579256 /nfs/dbraw/zinc/57/92/56/279579256.db2.gz WRSRCTGJIXCELG-DMRZNYOFSA-N 1 0 331.416 2.550 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000422711713 280063408 /nfs/dbraw/zinc/06/34/08/280063408.db2.gz FXQUHIFTVCKFSX-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156505343 280106193 /nfs/dbraw/zinc/10/61/93/280106193.db2.gz JXKCBXRQNWFPNN-CJNGLKHVSA-N 1 0 333.432 2.810 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000361175448 280158940 /nfs/dbraw/zinc/15/89/40/280158940.db2.gz FYRPTYOXEOOXDI-YOEHRIQHSA-N 1 0 333.432 2.620 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154739585 280166383 /nfs/dbraw/zinc/16/63/83/280166383.db2.gz QJQPTYVHNZCRDU-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000362671713 280199150 /nfs/dbraw/zinc/19/91/50/280199150.db2.gz LBPNKUVWURTPLT-VHSXEESVSA-N 1 0 343.225 2.955 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193464513 280374746 /nfs/dbraw/zinc/37/47/46/280374746.db2.gz APMJACVMIURFND-UHFFFAOYSA-N 1 0 332.448 2.593 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425060432 280397465 /nfs/dbraw/zinc/39/74/65/280397465.db2.gz VRDYNVWQDUUCAL-LSDHHAIUSA-N 1 0 331.416 2.686 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423652047 280593415 /nfs/dbraw/zinc/59/34/15/280593415.db2.gz WWGKWHRASDPWCQ-GOSISDBHSA-N 1 0 331.416 2.934 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OC)CCOC1 ZINC000359408144 280858605 /nfs/dbraw/zinc/85/86/05/280858605.db2.gz CJELTYQCUJGXTP-CJNGLKHVSA-N 1 0 340.445 2.861 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000180714433 280987079 /nfs/dbraw/zinc/98/70/79/280987079.db2.gz AYKBUHIOVXYEHP-INIZCTEOSA-N 1 0 342.399 2.518 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000182918454 281021307 /nfs/dbraw/zinc/02/13/07/281021307.db2.gz NFXGHMLFRVYVRX-AWEZNQCLSA-N 1 0 346.431 2.844 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000113601530 281056330 /nfs/dbraw/zinc/05/63/30/281056330.db2.gz CPHDNFYQBBIUFE-INIZCTEOSA-N 1 0 348.447 2.701 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000342808260 281359286 /nfs/dbraw/zinc/35/92/86/281359286.db2.gz AVGQXJCLJGYNJF-RYRKJORJSA-N 1 0 343.427 2.964 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000068116595 292700537 /nfs/dbraw/zinc/70/05/37/292700537.db2.gz UZQLETHMYFSCBS-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000187888725 289042506 /nfs/dbraw/zinc/04/25/06/289042506.db2.gz JTTZYAVNIXLMOG-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000177494333 289377601 /nfs/dbraw/zinc/37/76/01/289377601.db2.gz MDIWWRBNIIRWID-RDJZCZTQSA-N 1 0 348.447 2.776 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000075942957 292748432 /nfs/dbraw/zinc/74/84/32/292748432.db2.gz NAUGKLCZIHEFDG-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO CC(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000125758358 293015755 /nfs/dbraw/zinc/01/57/55/293015755.db2.gz JUOFOGVLOMQUBR-UHFFFAOYSA-N 1 0 328.372 2.839 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126064477 293026253 /nfs/dbraw/zinc/02/62/53/293026253.db2.gz RKANCISYSBWTMM-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126864460 293052507 /nfs/dbraw/zinc/05/25/07/293052507.db2.gz YYKOPVJMMUVBSX-YVARQFDVSA-N 1 0 347.390 2.691 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(OC(F)(F)F)c1 ZINC000128002620 293088760 /nfs/dbraw/zinc/08/87/60/293088760.db2.gz IRBVFFCCAKUSPY-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129938563 293148372 /nfs/dbraw/zinc/14/83/72/293148372.db2.gz ZDIKEFMHCRRQDK-FMIVXFBMSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000130368578 293163262 /nfs/dbraw/zinc/16/32/62/293163262.db2.gz FPDADWFUYDDANY-GXTWGEPZSA-N 1 0 346.431 2.754 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133560905 293261255 /nfs/dbraw/zinc/26/12/55/293261255.db2.gz IXGRPIAWMZYUCG-CQSZACIVSA-N 1 0 335.379 2.728 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNc1cccc(C)n1 ZINC000152776417 293347944 /nfs/dbraw/zinc/34/79/44/293347944.db2.gz UHGAIKJJGNVSPL-UHFFFAOYSA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153292595 293369267 /nfs/dbraw/zinc/36/92/67/293369267.db2.gz JJCNFEWWGYVGPB-CQSZACIVSA-N 1 0 331.416 2.960 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157948571 293559216 /nfs/dbraw/zinc/55/92/16/293559216.db2.gz UADZDZNHARFZPE-MRXNPFEDSA-N 1 0 346.431 2.755 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255872572 293889100 /nfs/dbraw/zinc/88/91/00/293889100.db2.gz MDRHYFSTGJTOAH-SREVYHEPSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000290162933 294015299 /nfs/dbraw/zinc/01/52/99/294015299.db2.gz MBLCGCLHKORTFJ-QGZVFWFLSA-N 1 0 338.404 2.597 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290276714 294045093 /nfs/dbraw/zinc/04/50/93/294045093.db2.gz ZAXYIKCYEOWUKB-MRXNPFEDSA-N 1 0 331.416 2.619 20 5 EFBDRO C[C@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000290469698 294095356 /nfs/dbraw/zinc/09/53/56/294095356.db2.gz GMMWVAJHWYZLNG-CYBMUJFWSA-N 1 0 343.387 2.528 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000290681821 294155856 /nfs/dbraw/zinc/15/58/56/294155856.db2.gz VNSHLCUWTNFBFH-GFCCVEGCSA-N 1 0 337.376 2.828 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290790693 294186985 /nfs/dbraw/zinc/18/69/85/294186985.db2.gz XKLCQDAPXSYAKC-CYBMUJFWSA-N 1 0 336.436 2.874 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000290948131 294228137 /nfs/dbraw/zinc/22/81/37/294228137.db2.gz UUUJIILXKKTMPR-LBPRGKRZSA-N 1 0 337.228 2.859 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000291014970 294248041 /nfs/dbraw/zinc/24/80/41/294248041.db2.gz UYBNDMINZCWHJC-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291199660 294307743 /nfs/dbraw/zinc/30/77/43/294307743.db2.gz JSDKDFJTDJZYPH-SNVBAGLBSA-N 1 0 329.784 2.544 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291230734 294318116 /nfs/dbraw/zinc/31/81/16/294318116.db2.gz MHVUTRZVNDFECO-IBGZPJMESA-N 1 0 342.395 2.610 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1 ZINC000291353736 294356188 /nfs/dbraw/zinc/35/61/88/294356188.db2.gz AFRPURKLYZLZGV-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366252 294360243 /nfs/dbraw/zinc/36/02/43/294360243.db2.gz ZJARRHRPMIYOBP-QWRGUYRKSA-N 1 0 343.811 2.932 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292115711 294583996 /nfs/dbraw/zinc/58/39/96/294583996.db2.gz KMRVEVIMVQEYHB-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000293121281 294883861 /nfs/dbraw/zinc/88/38/61/294883861.db2.gz RMUPLTSWJTWGFY-OAHLLOKOSA-N 1 0 346.387 2.532 20 5 EFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293174966 294899151 /nfs/dbraw/zinc/89/91/51/294899151.db2.gz WKDHZHBZHVYVFI-BONVTDFDSA-N 1 0 330.331 2.837 20 5 EFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293174976 294899215 /nfs/dbraw/zinc/89/92/15/294899215.db2.gz WKDHZHBZHVYVFI-ZUZCIYMTSA-N 1 0 330.331 2.837 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293222705 294911393 /nfs/dbraw/zinc/91/13/93/294911393.db2.gz AKGJRSDKPGRMDQ-GFCCVEGCSA-N 1 0 343.383 2.842 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293359073 294950929 /nfs/dbraw/zinc/95/09/29/294950929.db2.gz ZUDQYDWRZBPXEN-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293563462 295000331 /nfs/dbraw/zinc/00/03/31/295000331.db2.gz CZPLPRWIVBZNCO-CYBMUJFWSA-N 1 0 334.420 2.620 20 5 EFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293577876 295003735 /nfs/dbraw/zinc/00/37/35/295003735.db2.gz JOEZUAPKATWFPL-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000293587933 295005669 /nfs/dbraw/zinc/00/56/69/295005669.db2.gz XEUQXUKILJJSKT-QWHCGFSZSA-N 1 0 346.431 2.754 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293662768 295022136 /nfs/dbraw/zinc/02/21/36/295022136.db2.gz PSUDOXGNOJYQFA-LBPRGKRZSA-N 1 0 335.404 2.940 20 5 EFBDRO C[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C[NH+](C)C ZINC000293700859 295031076 /nfs/dbraw/zinc/03/10/76/295031076.db2.gz ILTYJVQPULOSRZ-CYBMUJFWSA-N 1 0 342.399 2.584 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293719792 295035594 /nfs/dbraw/zinc/03/55/94/295035594.db2.gz JVRNRJFFOVRIKD-SECBINFHSA-N 1 0 333.310 2.541 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000293733306 295037843 /nfs/dbraw/zinc/03/78/43/295037843.db2.gz MZPRZSPIOITCTG-QWHCGFSZSA-N 1 0 342.399 2.533 20 5 EFBDRO COC1(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000293742454 295039685 /nfs/dbraw/zinc/03/96/85/295039685.db2.gz PIKRCCLOKJRVPB-CYBMUJFWSA-N 1 0 335.404 2.861 20 5 EFBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016168 295098427 /nfs/dbraw/zinc/09/84/27/295098427.db2.gz DNUIYTRUNQZZPE-URKNILKWSA-N 1 0 341.411 2.994 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@H](CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294132866 295116355 /nfs/dbraw/zinc/11/63/55/295116355.db2.gz UOAFASDBTNFUJU-AWEZNQCLSA-N 1 0 344.415 2.590 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294369703 295155073 /nfs/dbraw/zinc/15/50/73/295155073.db2.gz QUSQHUGGWAULNU-MJBXVCDLSA-N 1 0 340.445 2.595 20 5 EFBDRO CC(C)(CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N+](=O)[O-] ZINC000294372879 295156026 /nfs/dbraw/zinc/15/60/26/295156026.db2.gz NAVPUXRUKQOSCM-UHFFFAOYSA-N 1 0 333.432 2.734 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[N+](=O)[O-] ZINC000294454896 295170088 /nfs/dbraw/zinc/17/00/88/295170088.db2.gz DHZDNOPWIVVTJH-KRWDZBQOSA-N 1 0 347.459 2.503 20 5 EFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294476088 295173204 /nfs/dbraw/zinc/17/32/04/295173204.db2.gz VIONTTATKBYTBU-UHFFFAOYSA-N 1 0 348.447 2.521 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294502606 295177101 /nfs/dbraw/zinc/17/71/01/295177101.db2.gz SAYQMAKARCGHHT-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000294686363 295207852 /nfs/dbraw/zinc/20/78/52/295207852.db2.gz XCHKONUQCOPCOA-CQSZACIVSA-N 1 0 337.420 2.677 20 5 EFBDRO [NH3+]C1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000428981542 295212076 /nfs/dbraw/zinc/21/20/76/295212076.db2.gz YYNUPKOQCUCQLP-UHFFFAOYSA-N 1 0 331.294 2.613 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000294709254 295212324 /nfs/dbraw/zinc/21/23/24/295212324.db2.gz DMZRUQZGFGFEKD-UHFFFAOYSA-N 1 0 331.210 2.808 20 5 EFBDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294826126 295233408 /nfs/dbraw/zinc/23/34/08/295233408.db2.gz QSAJNGGCMGORJB-KZULUSFZSA-N 1 0 327.384 2.662 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000294827073 295233548 /nfs/dbraw/zinc/23/35/48/295233548.db2.gz AHHYOADWMVNVLC-SJCJKPOMSA-N 1 0 342.399 2.682 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)OC)cc1[N+](=O)[O-] ZINC000294889549 295241713 /nfs/dbraw/zinc/24/17/13/295241713.db2.gz WHUZATGVSGTUEC-INIZCTEOSA-N 1 0 330.384 2.951 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294983231 295253831 /nfs/dbraw/zinc/25/38/31/295253831.db2.gz JXXDFDKMCJWNKP-OHRKKDJYSA-N 1 0 346.431 2.527 20 5 EFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000295007327 295257082 /nfs/dbraw/zinc/25/70/82/295257082.db2.gz BFEKRVMEGQCYFF-AWEZNQCLSA-N 1 0 348.447 2.559 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC000295019094 295258290 /nfs/dbraw/zinc/25/82/90/295258290.db2.gz WLFCXPQJVYARHL-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1nccnc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295106114 295269085 /nfs/dbraw/zinc/26/90/85/295269085.db2.gz WRDRXXUQSWLEBZ-KRWDZBQOSA-N 1 0 326.400 2.847 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295131148 295272120 /nfs/dbraw/zinc/27/21/20/295272120.db2.gz YKKITHRPJLERJU-LLVKDONJSA-N 1 0 348.428 2.909 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC(C)(C)CO ZINC000295139882 295273579 /nfs/dbraw/zinc/27/35/79/295273579.db2.gz BZDJQTOGBZNHGU-JTQLQIEISA-N 1 0 343.811 2.526 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295219144 295284020 /nfs/dbraw/zinc/28/40/20/295284020.db2.gz AGWZKMGATMKRHX-LBPRGKRZSA-N 1 0 342.399 2.632 20 5 EFBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295275228 295291832 /nfs/dbraw/zinc/29/18/32/295291832.db2.gz HGFWSNNIXNSMDB-CYBMUJFWSA-N 1 0 349.456 2.630 20 5 EFBDRO C[C@@H](CC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295345590 295304490 /nfs/dbraw/zinc/30/44/90/295304490.db2.gz IGJDLLUMBSIRCI-LBPRGKRZSA-N 1 0 328.434 2.783 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295371379 295308383 /nfs/dbraw/zinc/30/83/83/295308383.db2.gz OSQPOFDNVCDYIG-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295369366 295308542 /nfs/dbraw/zinc/30/85/42/295308542.db2.gz OSQPOFDNVCDYIG-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295421468 295317583 /nfs/dbraw/zinc/31/75/83/295317583.db2.gz VYGALDTZFWPXOG-NEPJUHHUSA-N 1 0 337.807 2.865 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295463803 295324730 /nfs/dbraw/zinc/32/47/30/295324730.db2.gz XNQTXABDGGEBBS-OAHLLOKOSA-N 1 0 347.415 2.547 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295467115 295325541 /nfs/dbraw/zinc/32/55/41/295325541.db2.gz YZDORSYJWUSJOX-RYUDHWBXSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000295693875 295362215 /nfs/dbraw/zinc/36/22/15/295362215.db2.gz DRDRTTPGXPRETC-GOSISDBHSA-N 1 0 325.368 2.813 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295762728 295372082 /nfs/dbraw/zinc/37/20/82/295372082.db2.gz PFKSWTXONFZDOJ-RISCZKNCSA-N 1 0 337.807 2.947 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000295816000 295380400 /nfs/dbraw/zinc/38/04/00/295380400.db2.gz BOSQATRJIWLWHI-HZPDHXFCSA-N 1 0 347.415 2.861 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295846945 295385078 /nfs/dbraw/zinc/38/50/78/295385078.db2.gz DJOGTNNLOULEKA-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296054511 295418082 /nfs/dbraw/zinc/41/80/82/295418082.db2.gz BYGYXZBRPIFKFW-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229062 295444701 /nfs/dbraw/zinc/44/47/01/295444701.db2.gz WMEGOXOYPHAHOS-CHWSQXEVSA-N 1 0 345.403 2.797 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296287172 295453045 /nfs/dbraw/zinc/45/30/45/295453045.db2.gz ZAOQAJHUTMCTEG-GFCCVEGCSA-N 1 0 334.376 2.549 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178490582 298555603 /nfs/dbraw/zinc/55/56/03/298555603.db2.gz ZQTLNLDZLGAGOO-CZUORRHYSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccs1 ZINC000449140911 298918711 /nfs/dbraw/zinc/91/87/11/298918711.db2.gz OVBVRYHFGXXBCO-CYBMUJFWSA-N 1 0 347.440 2.997 20 5 EFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265993890 300317043 /nfs/dbraw/zinc/31/70/43/300317043.db2.gz MWEQJJMAXNUOIP-BBRMVZONSA-N 1 0 331.416 2.568 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418405847 303397357 /nfs/dbraw/zinc/39/73/57/303397357.db2.gz DUWGKNLXHLIXQO-BBRMVZONSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418337553 303779520 /nfs/dbraw/zinc/77/95/20/303779520.db2.gz BSYHPENKIAFBSF-AWEZNQCLSA-N 1 0 346.431 2.659 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178172382 310777756 /nfs/dbraw/zinc/77/77/56/310777756.db2.gz DXJDHLGNHAEAJT-UHFFFAOYSA-N 1 0 336.436 2.617 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407619 310799015 /nfs/dbraw/zinc/79/90/15/310799015.db2.gz FCJHOOOWZATNQO-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296504705 310827230 /nfs/dbraw/zinc/82/72/30/310827230.db2.gz ZIEOBKUZROULPS-VBNZEHGJSA-N 1 0 347.415 2.859 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000296604274 310829244 /nfs/dbraw/zinc/82/92/44/310829244.db2.gz HRXZIOHDBBEIRC-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000296652518 310834473 /nfs/dbraw/zinc/83/44/73/310834473.db2.gz FPBSZEITILNWDZ-UHFFFAOYSA-N 1 0 338.383 2.992 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297214311 310866847 /nfs/dbraw/zinc/86/68/47/310866847.db2.gz QGPXAYMKIINXAQ-UHFFFAOYSA-N 1 0 349.456 2.820 20 5 EFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])c(C)n2)c1 ZINC000297380372 310887968 /nfs/dbraw/zinc/88/79/68/310887968.db2.gz DJAJCRBEHGDJEA-UHFFFAOYSA-N 1 0 329.404 2.570 20 5 EFBDRO CS[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000297557678 310908160 /nfs/dbraw/zinc/90/81/60/310908160.db2.gz RIYJGWXXJIPCBC-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1nc(N(CC[NH+](C)C)Cc2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000297582673 310910712 /nfs/dbraw/zinc/91/07/12/310910712.db2.gz SWBZPJOOXPFTBU-UHFFFAOYSA-N 1 0 349.822 2.915 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1SC ZINC000298601693 311007196 /nfs/dbraw/zinc/00/71/96/311007196.db2.gz ZEYBRRCNDKPTIF-KCPJHIHWSA-N 1 0 326.418 2.602 20 5 EFBDRO CC(C)(CCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)[N+](=O)[O-] ZINC000298615690 311008241 /nfs/dbraw/zinc/00/82/41/311008241.db2.gz RVNZWGLTSLXLKH-OAHLLOKOSA-N 1 0 331.416 2.833 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298699967 311015563 /nfs/dbraw/zinc/01/55/63/311015563.db2.gz GXTGBTXMTIJDNB-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1ccccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298711630 311016861 /nfs/dbraw/zinc/01/68/61/311016861.db2.gz GQGYPKAMIJKVAT-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298720326 311017442 /nfs/dbraw/zinc/01/74/42/311017442.db2.gz DFBURYVOUIFQDC-LBPRGKRZSA-N 1 0 331.372 2.945 20 5 EFBDRO Cc1nn(C)c(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000298735515 311019117 /nfs/dbraw/zinc/01/91/17/311019117.db2.gz QQGHYEFETVZVLS-UHFFFAOYSA-N 1 0 329.404 2.845 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298774651 311022484 /nfs/dbraw/zinc/02/24/84/311022484.db2.gz GPVHKJPFYPEBPA-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000298885041 311031784 /nfs/dbraw/zinc/03/17/84/311031784.db2.gz QUTZDLVIVBLOAP-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000299032269 311043715 /nfs/dbraw/zinc/04/37/15/311043715.db2.gz BGZDZHNGLVOIQP-UHFFFAOYSA-N 1 0 325.434 2.849 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000299043784 311044922 /nfs/dbraw/zinc/04/49/22/311044922.db2.gz KMXYBDGBUWFQRO-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000299051230 311045899 /nfs/dbraw/zinc/04/58/99/311045899.db2.gz VWQGBDKJPNUMBD-UHFFFAOYSA-N 1 0 343.383 2.945 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299109902 311052028 /nfs/dbraw/zinc/05/20/28/311052028.db2.gz SQUYZRPCBULYDW-ZNMIVQPWSA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCCC1 ZINC000299140172 311055420 /nfs/dbraw/zinc/05/54/20/311055420.db2.gz YBJMAGGBJMFQJP-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000299198168 311060910 /nfs/dbraw/zinc/06/09/10/311060910.db2.gz RCLKTGBCMQWZHI-RVKKMQEKSA-N 1 0 333.432 2.668 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000299209175 311061664 /nfs/dbraw/zinc/06/16/64/311061664.db2.gz DVDFNSWQHQPXMN-UHFFFAOYSA-N 1 0 349.431 2.664 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000299223720 311062903 /nfs/dbraw/zinc/06/29/03/311062903.db2.gz OVUSEXWRJFCDSW-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000299230813 311063795 /nfs/dbraw/zinc/06/37/95/311063795.db2.gz GFQLTTYEEOCQIX-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000299258150 311066278 /nfs/dbraw/zinc/06/62/78/311066278.db2.gz WJHRPKCRAILDLW-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000299370502 311077689 /nfs/dbraw/zinc/07/76/89/311077689.db2.gz KRMULZKDNITYGM-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000299370508 311077768 /nfs/dbraw/zinc/07/77/68/311077768.db2.gz KRMULZKDNITYGM-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299524791 311093276 /nfs/dbraw/zinc/09/32/76/311093276.db2.gz LVCNRGXIMFLFII-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299617176 311103434 /nfs/dbraw/zinc/10/34/34/311103434.db2.gz HHFSJDSABJAEPY-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000299725515 311114461 /nfs/dbraw/zinc/11/44/61/311114461.db2.gz UKMDWBWKDIHGIS-LBPRGKRZSA-N 1 0 333.413 2.966 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000301113571 311119633 /nfs/dbraw/zinc/11/96/33/311119633.db2.gz XVBILUBRTGGVKE-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301111164 311119651 /nfs/dbraw/zinc/11/96/51/311119651.db2.gz VLZBLRYIFBRCTN-UHFFFAOYSA-N 1 0 345.403 2.918 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000301126153 311120385 /nfs/dbraw/zinc/12/03/85/311120385.db2.gz WACXXOWCFVNECE-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+](C)C ZINC000301125598 311120441 /nfs/dbraw/zinc/12/04/41/311120441.db2.gz VPGXRPOZGKJGLU-CQSZACIVSA-N 1 0 348.428 2.731 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000301152581 311121509 /nfs/dbraw/zinc/12/15/09/311121509.db2.gz PPBLJAGURJUYRT-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000301294798 311129714 /nfs/dbraw/zinc/12/97/14/311129714.db2.gz RQOCVXXVFBULRG-OAHLLOKOSA-N 1 0 335.452 2.585 20 5 EFBDRO COc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342103 311132604 /nfs/dbraw/zinc/13/26/04/311132604.db2.gz GMASYATZYLMQGT-CHWSQXEVSA-N 1 0 337.420 2.903 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301458581 311138375 /nfs/dbraw/zinc/13/83/75/311138375.db2.gz IJOSFCFXXUITND-AWEZNQCLSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301495910 311140833 /nfs/dbraw/zinc/14/08/33/311140833.db2.gz AYVCWMVJGQTQJV-SFHVURJKSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301509590 311141531 /nfs/dbraw/zinc/14/15/31/311141531.db2.gz HYQYKSHTENSYCP-QGZVFWFLSA-N 1 0 341.411 2.734 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000301539022 311143174 /nfs/dbraw/zinc/14/31/74/311143174.db2.gz NKMWVRUKERSCGG-NSHDSACASA-N 1 0 329.198 2.504 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301534528 311143237 /nfs/dbraw/zinc/14/32/37/311143237.db2.gz LJNSHQZLWWYYEK-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301661490 311150436 /nfs/dbraw/zinc/15/04/36/311150436.db2.gz UOCSPKPOWFTUSC-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000301840645 311162102 /nfs/dbraw/zinc/16/21/02/311162102.db2.gz AWSGUAVARLCTFW-ZWKOTPCHSA-N 1 0 327.384 2.642 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301885885 311164927 /nfs/dbraw/zinc/16/49/27/311164927.db2.gz PRHDQUYDMNGAPB-JKSUJKDBSA-N 1 0 327.384 2.642 20 5 EFBDRO CCc1nn(C)c(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301941052 311167981 /nfs/dbraw/zinc/16/79/81/311167981.db2.gz VJJADHAGHDWSFC-UHFFFAOYSA-N 1 0 335.452 2.957 20 5 EFBDRO COc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301970339 311169449 /nfs/dbraw/zinc/16/94/49/311169449.db2.gz RHYAJPYWZXOGBS-GFCCVEGCSA-N 1 0 341.383 2.511 20 5 EFBDRO Cc1cc(NCC2CC[NH+](CCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301990098 311170712 /nfs/dbraw/zinc/17/07/12/311170712.db2.gz FKEZPCANGNAVQZ-UHFFFAOYSA-N 1 0 344.415 2.568 20 5 EFBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301990199 311170765 /nfs/dbraw/zinc/17/07/65/311170765.db2.gz FNLWLJWGBJUETI-UHFFFAOYSA-N 1 0 344.415 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000302007328 311171553 /nfs/dbraw/zinc/17/15/53/311171553.db2.gz WJVYHJJVXSTMPS-LPHOPBHVSA-N 1 0 341.411 2.890 20 5 EFBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040973 311174099 /nfs/dbraw/zinc/17/40/99/311174099.db2.gz WHKXHWIDZZAXOP-UHFFFAOYSA-N 1 0 326.400 2.983 20 5 EFBDRO Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000302042296 311174229 /nfs/dbraw/zinc/17/42/29/311174229.db2.gz RXYPVLQOTFBMCG-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065289 311175984 /nfs/dbraw/zinc/17/59/84/311175984.db2.gz DWGMMRQRSDFJLJ-UHFFFAOYSA-N 1 0 342.315 2.668 20 5 EFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302168643 311182056 /nfs/dbraw/zinc/18/20/56/311182056.db2.gz KQFXKVJSLKLJSV-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302232954 311186633 /nfs/dbraw/zinc/18/66/33/311186633.db2.gz STFKHGZGWQLQPN-MRXNPFEDSA-N 1 0 341.415 2.876 20 5 EFBDRO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)O1 ZINC000302856852 311204621 /nfs/dbraw/zinc/20/46/21/311204621.db2.gz MFVXOJXUOSKLOV-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO CC(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000309686226 311228552 /nfs/dbraw/zinc/22/85/52/311228552.db2.gz OFPSIHFZICSSQP-UHFFFAOYSA-N 1 0 334.157 2.945 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000315319546 311234173 /nfs/dbraw/zinc/23/41/73/311234173.db2.gz AEFKGIDMZRHKDU-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000326233320 311243784 /nfs/dbraw/zinc/24/37/84/311243784.db2.gz VIKPGMZXPJPEIZ-HNNXBMFYSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326711401 311244650 /nfs/dbraw/zinc/24/46/50/311244650.db2.gz XJAJWYARDYGTAR-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000327206453 311244911 /nfs/dbraw/zinc/24/49/11/311244911.db2.gz QCVHOWVBIQEGMK-UKRRQHHQSA-N 1 0 346.431 2.725 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328433703 311246107 /nfs/dbraw/zinc/24/61/07/311246107.db2.gz GMQPJNXWBAKQMV-CVEARBPZSA-N 1 0 339.395 2.718 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330596881 311323498 /nfs/dbraw/zinc/32/34/98/311323498.db2.gz VUYYCCVOWSVBCQ-IJLUTSLNSA-N 1 0 325.434 2.753 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000330813858 311336477 /nfs/dbraw/zinc/33/64/77/311336477.db2.gz FOKJKTMIKVWYLH-BETUJISGSA-N 1 0 345.403 2.559 20 5 EFBDRO COc1cc(CN2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000330918980 311343789 /nfs/dbraw/zinc/34/37/89/311343789.db2.gz NSCRFPKERVHKQW-UHFFFAOYSA-N 1 0 325.384 2.516 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331125641 311355592 /nfs/dbraw/zinc/35/55/92/311355592.db2.gz HMYKLQQRKUNSKZ-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000331309591 311366895 /nfs/dbraw/zinc/36/68/95/311366895.db2.gz YITIGGPNXMHCKM-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331430257 311376600 /nfs/dbraw/zinc/37/66/00/311376600.db2.gz JNQMMCKERLPARN-KGLIPLIRSA-N 1 0 335.433 2.872 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331483995 311381741 /nfs/dbraw/zinc/38/17/41/311381741.db2.gz JVMOPTSZNZFFJL-WBMJQRKESA-N 1 0 331.416 2.931 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331483988 311381791 /nfs/dbraw/zinc/38/17/91/311381791.db2.gz JVMOPTSZNZFFJL-MLGOLLRUSA-N 1 0 331.416 2.931 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331590378 311394496 /nfs/dbraw/zinc/39/44/96/311394496.db2.gz YEQLNRJTKIUYIR-DOTOQJQBSA-N 1 0 347.463 2.739 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000331685754 311407432 /nfs/dbraw/zinc/40/74/32/311407432.db2.gz UXVNOCUTUBMBDF-UHFFFAOYSA-N 1 0 349.435 2.578 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331937134 311436287 /nfs/dbraw/zinc/43/62/87/311436287.db2.gz XEPLINSELDXYQP-JLJPHGGASA-N 1 0 346.431 2.624 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332203591 311470375 /nfs/dbraw/zinc/47/03/75/311470375.db2.gz SZRSWYATZLYUNW-MJBXVCDLSA-N 1 0 332.404 2.803 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332655255 311531919 /nfs/dbraw/zinc/53/19/19/311531919.db2.gz JEUMJOGNKRKHPZ-ZFWWWQNUSA-N 1 0 349.406 2.924 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412974541 312045588 /nfs/dbraw/zinc/04/55/88/312045588.db2.gz CURSIPDLKDRTDV-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000414804823 312053607 /nfs/dbraw/zinc/05/36/07/312053607.db2.gz XWFPEYVZKLBULU-HNNXBMFYSA-N 1 0 333.388 2.936 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@@H]([NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414895668 312058845 /nfs/dbraw/zinc/05/88/45/312058845.db2.gz YNCODLKWOPVRIE-OAHLLOKOSA-N 1 0 331.372 2.690 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414926848 312064297 /nfs/dbraw/zinc/06/42/97/312064297.db2.gz LELBSWVWDISMMK-XJKSGUPXSA-N 1 0 348.447 2.680 20 5 EFBDRO C[NH2+]Cc1ccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000414978300 312070106 /nfs/dbraw/zinc/07/01/06/312070106.db2.gz RNUHXVSMKDFMEZ-UHFFFAOYSA-N 1 0 331.372 2.944 20 5 EFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118623 312097428 /nfs/dbraw/zinc/09/74/28/312097428.db2.gz DTLYFLQSGYOIGR-PWSUYJOCSA-N 1 0 329.347 2.613 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415443070 312139776 /nfs/dbraw/zinc/13/97/76/312139776.db2.gz QNIQPDGMAUMAHL-DTWKUNHWSA-N 1 0 346.309 2.815 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415453693 312141163 /nfs/dbraw/zinc/14/11/63/312141163.db2.gz ZGZAFWCWNYMSIK-NSHDSACASA-N 1 0 346.309 2.876 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415453690 312141223 /nfs/dbraw/zinc/14/12/23/312141223.db2.gz ZGZAFWCWNYMSIK-LLVKDONJSA-N 1 0 346.309 2.876 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415690562 312165378 /nfs/dbraw/zinc/16/53/78/312165378.db2.gz FDDZEGOAPKXLAA-STQMWFEESA-N 1 0 346.431 2.966 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415691695 312165501 /nfs/dbraw/zinc/16/55/01/312165501.db2.gz FZUTWTQMAHLHTM-OLZOCXBDSA-N 1 0 346.431 2.966 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415770831 312170732 /nfs/dbraw/zinc/17/07/32/312170732.db2.gz ZBQFCIWTEXJILH-MELADBBJSA-N 1 0 332.404 2.667 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417138959 312194650 /nfs/dbraw/zinc/19/46/50/312194650.db2.gz OOQVVQNLAHTKAR-IMJJTQAJSA-N 1 0 346.431 2.687 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308221 312206764 /nfs/dbraw/zinc/20/67/64/312206764.db2.gz HQRHPKASBJVJDE-RHSMWYFYSA-N 1 0 331.416 2.963 20 5 EFBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309766 312206777 /nfs/dbraw/zinc/20/67/77/312206777.db2.gz KANJGFIBQDFCNZ-BLLLJJGKSA-N 1 0 340.445 2.775 20 5 EFBDRO O=C1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000417308734 312206972 /nfs/dbraw/zinc/20/69/72/312206972.db2.gz IEOPXKQGVFFFDE-DYVFJYSZSA-N 1 0 329.400 2.715 20 5 EFBDRO Cc1ncc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000417340030 312211214 /nfs/dbraw/zinc/21/12/14/312211214.db2.gz JHODIPMQFLVUQF-MRXNPFEDSA-N 1 0 328.372 2.956 20 5 EFBDRO O=C(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000417339986 312211258 /nfs/dbraw/zinc/21/12/58/312211258.db2.gz LPGKDHNITGAUOT-ZDUSSCGKSA-N 1 0 345.321 2.630 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345389 312212157 /nfs/dbraw/zinc/21/21/57/312212157.db2.gz UHQSDYDLTLYDDQ-DYVFJYSZSA-N 1 0 331.416 2.963 20 5 EFBDRO C[C@@]1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417710608 312259564 /nfs/dbraw/zinc/25/95/64/312259564.db2.gz CRVJNJROEJZIFV-GOSISDBHSA-N 1 0 348.447 2.606 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719338 312261034 /nfs/dbraw/zinc/26/10/34/312261034.db2.gz PUEUIGUZNBITTI-QGZVFWFLSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417845505 312280247 /nfs/dbraw/zinc/28/02/47/312280247.db2.gz IOHMUCQTXAUEPL-KCQAQPDRSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000417845075 312280447 /nfs/dbraw/zinc/28/04/47/312280447.db2.gz IIQONZQDITXCFC-DOMZBBRYSA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417849722 312281296 /nfs/dbraw/zinc/28/12/96/312281296.db2.gz LXMZYDQKDSLFNM-GZBFAFLISA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417857206 312283368 /nfs/dbraw/zinc/28/33/68/312283368.db2.gz TZNRAHNYXKPGEL-VNHYZAJKSA-N 1 0 334.420 2.876 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417857155 312283555 /nfs/dbraw/zinc/28/35/55/312283555.db2.gz TXVLECYDMHLLOA-AEGPPILISA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417857207 312283556 /nfs/dbraw/zinc/28/35/56/312283556.db2.gz TZNRAHNYXKPGEL-YDHLFZDLSA-N 1 0 334.420 2.876 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000417858898 312283903 /nfs/dbraw/zinc/28/39/03/312283903.db2.gz VNIILMQOXAFSAV-AWEZNQCLSA-N 1 0 348.447 2.995 20 5 EFBDRO Cc1c(CNC(=O)N(CC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000418082795 312322797 /nfs/dbraw/zinc/32/27/97/312322797.db2.gz QYCLAJTZDTUGFL-UHFFFAOYSA-N 1 0 342.399 2.574 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000418227470 312350471 /nfs/dbraw/zinc/35/04/71/312350471.db2.gz CJQFUPKGMFVPSC-SWLSCSKDSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000420580126 312373317 /nfs/dbraw/zinc/37/33/17/312373317.db2.gz DPVYVXOGTSPXSL-MRXNPFEDSA-N 1 0 342.399 2.717 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000420579612 312373326 /nfs/dbraw/zinc/37/33/26/312373326.db2.gz BGCHSMOREIELPV-OAHLLOKOSA-N 1 0 334.420 2.616 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420607782 312375409 /nfs/dbraw/zinc/37/54/09/312375409.db2.gz CGITUHYEOZZPIN-CQSZACIVSA-N 1 0 346.431 2.903 20 5 EFBDRO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420611807 312375732 /nfs/dbraw/zinc/37/57/32/312375732.db2.gz SGJQOWZUJXYPHS-JOCQHMNTSA-N 1 0 342.399 2.577 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000420795394 312391735 /nfs/dbraw/zinc/39/17/35/312391735.db2.gz LUPUGYCVAFUJIS-QGZVFWFLSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421037570 312408758 /nfs/dbraw/zinc/40/87/58/312408758.db2.gz RSURSCDWJQVRHG-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000423494968 312424761 /nfs/dbraw/zinc/42/47/61/312424761.db2.gz SZBHZMQVMNGHIN-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731687 312445217 /nfs/dbraw/zinc/44/52/17/312445217.db2.gz YAODUZSAZNNSKX-RHSMWYFYSA-N 1 0 331.416 2.993 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423966606 312490915 /nfs/dbraw/zinc/49/09/15/312490915.db2.gz ZPYFWKYNBSZFGW-CYBMUJFWSA-N 1 0 348.428 2.822 20 5 EFBDRO Cc1c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000424034567 312500233 /nfs/dbraw/zinc/50/02/33/312500233.db2.gz NSZWWYCEXXXWBV-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000424036451 312500548 /nfs/dbraw/zinc/50/05/48/312500548.db2.gz FEIHGNCLCRUKSW-GOSISDBHSA-N 1 0 345.443 2.764 20 5 EFBDRO Cc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000424040493 312501535 /nfs/dbraw/zinc/50/15/35/312501535.db2.gz FUCNXWGXWLEYDZ-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO Cc1cccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000424046688 312502939 /nfs/dbraw/zinc/50/29/39/312502939.db2.gz SQDVMPRNSHRUKF-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424052799 312504128 /nfs/dbraw/zinc/50/41/28/312504128.db2.gz NDPSLLXBHZLAHY-DYEKYZERSA-N 1 0 346.431 2.615 20 5 EFBDRO COCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430217110 312545135 /nfs/dbraw/zinc/54/51/35/312545135.db2.gz GTWUQFDBAGWJNS-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000432315508 312555541 /nfs/dbraw/zinc/55/55/41/312555541.db2.gz ZQLMYENSZYRBCA-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO CS[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450409082 312692712 /nfs/dbraw/zinc/69/27/12/312692712.db2.gz XANVNZWDGGKEEO-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000453600954 312915892 /nfs/dbraw/zinc/91/58/92/312915892.db2.gz DFGAUOWLOGFTNK-SFHVURJKSA-N 1 0 348.399 2.815 20 5 EFBDRO CSc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457174942 313039434 /nfs/dbraw/zinc/03/94/34/313039434.db2.gz MQGKOAHJAFAMQO-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457175372 313039601 /nfs/dbraw/zinc/03/96/01/313039601.db2.gz XRQANARWBTZQJI-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CSc1cccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458236535 313091197 /nfs/dbraw/zinc/09/11/97/313091197.db2.gz YKAHHFIMOFBMFV-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000470169856 313129048 /nfs/dbraw/zinc/12/90/48/313129048.db2.gz LAMXVWRFJAZKDO-MUMAZLPKSA-N 1 0 345.443 2.652 20 5 EFBDRO CNC(=O)CC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470175397 313129139 /nfs/dbraw/zinc/12/91/39/313129139.db2.gz CSKCJQLJWZZAIS-GXDHUFHOSA-N 1 0 331.416 2.846 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000470211301 313130048 /nfs/dbraw/zinc/13/00/48/313130048.db2.gz HJEPYSBFBLLSOU-AAGJOFLKSA-N 1 0 347.459 2.775 20 5 EFBDRO CCC(O)(CC)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000471755942 313156247 /nfs/dbraw/zinc/15/62/47/313156247.db2.gz HGMQKKXMFUMLHF-ZDUSSCGKSA-N 1 0 337.420 2.843 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000471758644 313156959 /nfs/dbraw/zinc/15/69/59/313156959.db2.gz MKYPBAIVQODXPR-HNNXBMFYSA-N 1 0 345.443 2.961 20 5 EFBDRO CCOC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000474076294 313204505 /nfs/dbraw/zinc/20/45/05/313204505.db2.gz RRCGATWRUXFRQA-XJKSGUPXSA-N 1 0 337.420 2.963 20 5 EFBDRO COc1c(C(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000474196633 313205769 /nfs/dbraw/zinc/20/57/69/313205769.db2.gz BIORITBKHDBKQC-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000475111984 313218058 /nfs/dbraw/zinc/21/80/58/313218058.db2.gz REWDCUWCZBDMLT-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000475111988 313218267 /nfs/dbraw/zinc/21/82/67/313218267.db2.gz REWDCUWCZBDMLT-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000476201511 313229782 /nfs/dbraw/zinc/22/97/82/313229782.db2.gz VRERUKATTJEMIV-CQSZACIVSA-N 1 0 347.415 2.598 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000487133656 313369757 /nfs/dbraw/zinc/36/97/57/313369757.db2.gz GQUMTWPFSXELNS-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1c(CNC(=O)c2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000487309667 313384512 /nfs/dbraw/zinc/38/45/12/313384512.db2.gz WIDLFUHHEXBQBF-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO Cn1ccnc1C(=O)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000487782123 313427676 /nfs/dbraw/zinc/42/76/76/313427676.db2.gz IZROFHCVCKJMNI-UHFFFAOYSA-N 1 0 349.350 2.649 20 5 EFBDRO CO[C@@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1OC ZINC000488545989 313494697 /nfs/dbraw/zinc/49/46/97/313494697.db2.gz PWHPIMYNWNZSJF-IAGOWNOFSA-N 1 0 332.356 2.700 20 5 EFBDRO COc1ccccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488748325 313509636 /nfs/dbraw/zinc/50/96/36/313509636.db2.gz KMBBDKNUTRFQAX-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)C[NH+](C)C ZINC000488999562 313534019 /nfs/dbraw/zinc/53/40/19/313534019.db2.gz DAVJTGDPDKLHAY-VIFPVBQESA-N 1 0 329.784 2.644 20 5 EFBDRO CCc1cc(NC[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489017815 313536055 /nfs/dbraw/zinc/53/60/55/313536055.db2.gz UOWOLOZBVQHPGF-ZDUSSCGKSA-N 1 0 343.431 2.646 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489108219 313543525 /nfs/dbraw/zinc/54/35/25/313543525.db2.gz NEBBPODKEAQNIF-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491434055 313748009 /nfs/dbraw/zinc/74/80/09/313748009.db2.gz GNWJOPRNPCGCED-QKIRZYONSA-N 1 0 347.390 2.834 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491434054 313748040 /nfs/dbraw/zinc/74/80/40/313748040.db2.gz GNWJOPRNPCGCED-IQIBNGDESA-N 1 0 347.390 2.834 20 5 EFBDRO CCOC(=O)N(C)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491547641 313762665 /nfs/dbraw/zinc/76/26/65/313762665.db2.gz BXDZDWCDIUEYNZ-UHFFFAOYSA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000492486623 314008334 /nfs/dbraw/zinc/00/83/34/314008334.db2.gz GDFXSUKFEFAIKD-TXNVCOODSA-N 1 0 333.363 2.514 20 5 EFBDRO C[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000492486619 314008550 /nfs/dbraw/zinc/00/85/50/314008550.db2.gz GDFXSUKFEFAIKD-RNZFLTOJSA-N 1 0 333.363 2.514 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492511597 314019688 /nfs/dbraw/zinc/01/96/88/314019688.db2.gz QQGZVUBKOOXHFI-UZGISAJGSA-N 1 0 333.388 2.819 20 5 EFBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000492890622 314166115 /nfs/dbraw/zinc/16/61/15/314166115.db2.gz MISAFIUWWLQKHO-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000492922478 314178811 /nfs/dbraw/zinc/17/88/11/314178811.db2.gz NFDMGJGQTUAUGL-IVZVJUQRSA-N 1 0 349.818 2.816 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493110315 314243684 /nfs/dbraw/zinc/24/36/84/314243684.db2.gz ZUELRWHOSGKYCR-DVBCCOPCSA-N 1 0 343.427 2.845 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000493111669 314244041 /nfs/dbraw/zinc/24/40/41/314244041.db2.gz CMQDPYVCQPNUMK-UYTOFJLZSA-N 1 0 347.390 2.690 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000493111667 314244321 /nfs/dbraw/zinc/24/43/21/314244321.db2.gz CMQDPYVCQPNUMK-QAOXIVLQSA-N 1 0 347.390 2.690 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493170089 314264763 /nfs/dbraw/zinc/26/47/63/314264763.db2.gz HTLGTTVXBMJUSD-PIZKADEWSA-N 1 0 329.400 2.551 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493353355 314326281 /nfs/dbraw/zinc/32/62/81/314326281.db2.gz NTXIKRNMXYAPJB-LYASGUKUSA-N 1 0 335.379 2.690 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493374793 314333390 /nfs/dbraw/zinc/33/33/90/314333390.db2.gz XOEBFAMFWUWPAN-CLFYSBASSA-N 1 0 337.395 2.984 20 5 EFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493494802 314377977 /nfs/dbraw/zinc/37/79/77/314377977.db2.gz AMELSZZUVBANTH-AEFFLSMTSA-N 1 0 345.399 2.933 20 5 EFBDRO CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000493806311 314487169 /nfs/dbraw/zinc/48/71/69/314487169.db2.gz WFDXCJCGSCNXEX-PMGBHYCQSA-N 1 0 335.379 2.738 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000494480146 314595280 /nfs/dbraw/zinc/59/52/80/314595280.db2.gz YIRXCNPTRGVQPL-QZTJIDSGSA-N 1 0 347.459 2.616 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000495478222 314728552 /nfs/dbraw/zinc/72/85/52/314728552.db2.gz CGLZALYWSHTDOI-UKRRQHHQSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495567055 314758946 /nfs/dbraw/zinc/75/89/46/314758946.db2.gz SKVTUXPVYSELOY-AAEUAGOBSA-N 1 0 339.367 2.690 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000496290355 315014085 /nfs/dbraw/zinc/01/40/85/315014085.db2.gz CWRJOWXXGJBIMA-KSSFIOAISA-N 1 0 347.415 2.941 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496362969 315040419 /nfs/dbraw/zinc/04/04/19/315040419.db2.gz NXLALTBIAFSEEJ-ZIAGYGMSSA-N 1 0 333.388 2.738 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496440497 315067498 /nfs/dbraw/zinc/06/74/98/315067498.db2.gz SUTQICJPRWBXLS-OVHOFWQVSA-N 1 0 333.388 2.771 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000497515446 315393053 /nfs/dbraw/zinc/39/30/53/315393053.db2.gz MVUMMAWYAPGXDS-CHWSQXEVSA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000518641910 315821881 /nfs/dbraw/zinc/82/18/81/315821881.db2.gz PBFXSKXNDXYGMJ-GFCCVEGCSA-N 1 0 328.372 2.794 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000519142382 315847024 /nfs/dbraw/zinc/84/70/24/315847024.db2.gz KVOTZVDNCPQGSR-AWEZNQCLSA-N 1 0 331.372 2.897 20 5 EFBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519594401 315878128 /nfs/dbraw/zinc/87/81/28/315878128.db2.gz AZJKGIBQQFJZPS-RDTXWAMCSA-N 1 0 349.431 2.964 20 5 EFBDRO O=C(CC[NH2+]CCOC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000519600575 315879368 /nfs/dbraw/zinc/87/93/68/315879368.db2.gz XPGOLHVJQIXMMO-UHFFFAOYSA-N 1 0 335.404 2.862 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521131109 316000958 /nfs/dbraw/zinc/00/09/58/316000958.db2.gz GTHWRJGNYHAILW-CYBMUJFWSA-N 1 0 336.436 2.564 20 5 EFBDRO C[C@H](Cc1cccs1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521862740 316047626 /nfs/dbraw/zinc/04/76/26/316047626.db2.gz JSHDOENIOHDZFG-OLZOCXBDSA-N 1 0 336.413 2.617 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521998711 316060913 /nfs/dbraw/zinc/06/09/13/316060913.db2.gz CKQQXBWEHPUBPZ-GZBFAFLISA-N 1 0 334.420 2.610 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521998709 316061050 /nfs/dbraw/zinc/06/10/50/316061050.db2.gz CKQQXBWEHPUBPZ-GUTXKFCHSA-N 1 0 334.420 2.610 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000522116957 316071160 /nfs/dbraw/zinc/07/11/60/316071160.db2.gz SHQZIEUSPHVZMJ-OAHLLOKOSA-N 1 0 348.447 2.517 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000522186004 316078445 /nfs/dbraw/zinc/07/84/45/316078445.db2.gz DLTVSKANJQLZLG-OAHLLOKOSA-N 1 0 349.431 2.988 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523353057 316117968 /nfs/dbraw/zinc/11/79/68/316117968.db2.gz OBIVGGXGDKKVTL-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000524771445 316173713 /nfs/dbraw/zinc/17/37/13/316173713.db2.gz QOHMHMTTZRXABW-LLVKDONJSA-N 1 0 329.347 2.628 20 5 EFBDRO COc1ccc(OCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786401 316237263 /nfs/dbraw/zinc/23/72/63/316237263.db2.gz BAVSNKGTLYDCHZ-TXEJJXNPSA-N 1 0 326.418 2.808 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000525985667 316269172 /nfs/dbraw/zinc/26/91/72/316269172.db2.gz WMTMBTLHDOXIPZ-DVOMOZLQSA-N 1 0 336.388 2.541 20 5 EFBDRO COc1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000527241269 316354118 /nfs/dbraw/zinc/35/41/18/316354118.db2.gz GPSDKXOWVZKRMF-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CCc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527324088 316368129 /nfs/dbraw/zinc/36/81/29/316368129.db2.gz BTXWNOFIPFDGIL-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000530359320 317114463 /nfs/dbraw/zinc/11/44/63/317114463.db2.gz BMZQMWHUFQZIRR-CVEARBPZSA-N 1 0 329.404 2.811 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000530590484 317151220 /nfs/dbraw/zinc/15/12/20/317151220.db2.gz CLZINPONQBPWAZ-AWEZNQCLSA-N 1 0 336.779 2.609 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530949714 317200570 /nfs/dbraw/zinc/20/05/70/317200570.db2.gz GHCPODAIKYDYMK-HIFRSBDPSA-N 1 0 336.436 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531200680 317234277 /nfs/dbraw/zinc/23/42/77/317234277.db2.gz PCLLKAZTALVOJH-CRAIPNDOSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)Cc1ccncc1 ZINC000531736851 317306844 /nfs/dbraw/zinc/30/68/44/317306844.db2.gz GAMSORNTOKBGJL-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000531931489 317334402 /nfs/dbraw/zinc/33/44/02/317334402.db2.gz OMUAXRBRAYHNPC-RDJZCZTQSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000531946834 317335423 /nfs/dbraw/zinc/33/54/23/317335423.db2.gz VMARUEXERDJLNI-CYBMUJFWSA-N 1 0 331.416 2.955 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000531979459 317338518 /nfs/dbraw/zinc/33/85/18/317338518.db2.gz RXIIVZDAGYGTCH-TUKIKUTGSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532198684 317369154 /nfs/dbraw/zinc/36/91/54/317369154.db2.gz MQKBLYAPAAZHRO-GDBMZVCRSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCCC1 ZINC000532219445 317370765 /nfs/dbraw/zinc/37/07/65/317370765.db2.gz NLTADMFYUZMRKU-CYBMUJFWSA-N 1 0 335.404 2.597 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cn1 ZINC000535072308 317578260 /nfs/dbraw/zinc/57/82/60/317578260.db2.gz GAHGTTOFRAFOHQ-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000535470522 317593564 /nfs/dbraw/zinc/59/35/64/317593564.db2.gz SZNZOPPGHVFGFO-SUMWQHHRSA-N 1 0 336.388 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000536371438 317630738 /nfs/dbraw/zinc/63/07/38/317630738.db2.gz PCWWKQNDZHQPRZ-UHFFFAOYSA-N 1 0 342.399 2.945 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000537093958 317661512 /nfs/dbraw/zinc/66/15/12/317661512.db2.gz ILTYJFWYQJGBDZ-XJKCOSOUSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000537981482 317687070 /nfs/dbraw/zinc/68/70/70/317687070.db2.gz NMVCJWUTBIFQIE-BFHYXJOUSA-N 1 0 340.445 2.910 20 5 EFBDRO Cc1cc(NC[C@@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541174949 317769774 /nfs/dbraw/zinc/76/97/74/317769774.db2.gz WOVKSNPTTFDSFM-ZDUSSCGKSA-N 1 0 341.367 2.729 20 5 EFBDRO CNc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000541527422 317779757 /nfs/dbraw/zinc/77/97/57/317779757.db2.gz XPIYNQUSXOGFQK-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594042 317782540 /nfs/dbraw/zinc/78/25/40/317782540.db2.gz NDGHIVRANSXNKO-SMDDNHRTSA-N 1 0 334.376 2.966 20 5 EFBDRO COc1cc(C[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000546629014 317969011 /nfs/dbraw/zinc/96/90/11/317969011.db2.gz ZCTRDNKAKLFNEO-CQSZACIVSA-N 1 0 326.368 2.773 20 5 EFBDRO Cn1ccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000546936463 317985254 /nfs/dbraw/zinc/98/52/54/317985254.db2.gz ZYEFUWZUCDDJNS-WMLDXEAASA-N 1 0 328.416 2.872 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000547798282 318043392 /nfs/dbraw/zinc/04/33/92/318043392.db2.gz WSWLJRXNQFMHNK-KRWDZBQOSA-N 1 0 333.432 2.860 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000547824772 318046424 /nfs/dbraw/zinc/04/64/24/318046424.db2.gz KATKYAKKVLDCTG-UHFFFAOYSA-N 1 0 336.436 2.708 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000548403922 318104365 /nfs/dbraw/zinc/10/43/65/318104365.db2.gz WVOQZKARFOQJDK-CZUORRHYSA-N 1 0 333.432 2.935 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548410567 318104662 /nfs/dbraw/zinc/10/46/62/318104662.db2.gz ZYOBUDDIVPFQJP-UHFFFAOYSA-N 1 0 329.360 2.556 20 5 EFBDRO Cc1cc(N2CCC[N@@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000548763376 318141428 /nfs/dbraw/zinc/14/14/28/318141428.db2.gz VJMFUZINMLYJBJ-UHFFFAOYSA-N 1 0 327.388 2.502 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173499 318168007 /nfs/dbraw/zinc/16/80/07/318168007.db2.gz RHBKUXLMYDQCMZ-SFHVURJKSA-N 1 0 344.411 2.817 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000549780779 318182256 /nfs/dbraw/zinc/18/22/56/318182256.db2.gz PZAMPWOKMGYNSB-KRWDZBQOSA-N 1 0 342.395 2.656 20 5 EFBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000550084844 318187327 /nfs/dbraw/zinc/18/73/27/318187327.db2.gz ADTZDMPPHHPIAF-OAHLLOKOSA-N 1 0 334.347 2.572 20 5 EFBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175421 318189503 /nfs/dbraw/zinc/18/95/03/318189503.db2.gz SRCNODSVSCHDIK-IFIJOSMWSA-N 1 0 346.383 2.841 20 5 EFBDRO C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000550660412 318195699 /nfs/dbraw/zinc/19/56/99/318195699.db2.gz OQKUBVSPFNLTKG-UHFFFAOYSA-N 1 0 330.388 2.776 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](n2cncn2)C1 ZINC000551084427 318201426 /nfs/dbraw/zinc/20/14/26/318201426.db2.gz ZVPPPSWEXHPYRX-XYPHTWIQSA-N 1 0 345.403 2.585 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000551577391 318210533 /nfs/dbraw/zinc/21/05/33/318210533.db2.gz LNXPUKNWTXAMJQ-OAHLLOKOSA-N 1 0 347.459 2.967 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000553388947 318281444 /nfs/dbraw/zinc/28/14/44/318281444.db2.gz MYFVTNUFWYNJGA-AWEZNQCLSA-N 1 0 347.415 2.754 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000553448051 318283619 /nfs/dbraw/zinc/28/36/19/318283619.db2.gz MDPKSOSJPHEFHB-NWDGAFQWSA-N 1 0 333.388 2.727 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000554408184 318311556 /nfs/dbraw/zinc/31/15/56/318311556.db2.gz GYIBCBXSKCZACM-UHFFFAOYSA-N 1 0 334.420 2.612 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1Cc2ccccc2O1)Nc1ccccc1[N+](=O)[O-] ZINC000554527540 318320964 /nfs/dbraw/zinc/32/09/64/318320964.db2.gz IYAQRSQCTBBAJE-AWEZNQCLSA-N 1 0 341.367 2.517 20 5 EFBDRO COCc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000554527554 318321012 /nfs/dbraw/zinc/32/10/12/318321012.db2.gz ONXJFTSSXNIEKT-UHFFFAOYSA-N 1 0 343.383 2.860 20 5 EFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556063369 318377675 /nfs/dbraw/zinc/37/76/75/318377675.db2.gz BRRFCZPWDZYXKD-VNQPRFMTSA-N 1 0 346.435 2.706 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000557374693 318435426 /nfs/dbraw/zinc/43/54/26/318435426.db2.gz HYVNGACOCHAMCD-DOMZBBRYSA-N 1 0 336.413 2.617 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000557631281 318444573 /nfs/dbraw/zinc/44/45/73/318444573.db2.gz VTZGEDCDKYYYRV-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000558752139 318490769 /nfs/dbraw/zinc/49/07/69/318490769.db2.gz DEDAFQJUGSDIKM-HNNXBMFYSA-N 1 0 342.351 2.871 20 5 EFBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560392888 318546063 /nfs/dbraw/zinc/54/60/63/318546063.db2.gz CKYDJRRXHNIMPJ-YJBOKZPZSA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000563410471 318781814 /nfs/dbraw/zinc/78/18/14/318781814.db2.gz XRKPCDZZJMYQSP-HOCLYGCPSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@H](C)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565593777 318985588 /nfs/dbraw/zinc/98/55/88/318985588.db2.gz DOUMOHHLUCDTNJ-STQMWFEESA-N 1 0 328.434 2.783 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566007121 319022979 /nfs/dbraw/zinc/02/29/79/319022979.db2.gz GQKGFKIIXMTVPW-GJZGRUSLSA-N 1 0 347.415 2.733 20 5 EFBDRO CCc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566115225 319035111 /nfs/dbraw/zinc/03/51/11/319035111.db2.gz IAXOEZFEOZXSBU-UHFFFAOYSA-N 1 0 348.424 2.721 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566258031 319053126 /nfs/dbraw/zinc/05/31/26/319053126.db2.gz OMLPFIMHEDNNSA-DTWKUNHWSA-N 1 0 331.825 2.582 20 5 EFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000566483374 319082975 /nfs/dbraw/zinc/08/29/75/319082975.db2.gz KYMWMOBTFQMKBF-XYJFISCASA-N 1 0 342.399 2.826 20 5 EFBDRO COc1cc(CN[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1O ZINC000566500298 319084124 /nfs/dbraw/zinc/08/41/24/319084124.db2.gz KXVBRTDBMCKBMS-CYBMUJFWSA-N 1 0 337.420 2.519 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(c2ccccc2)CC1 ZINC000566996296 319129190 /nfs/dbraw/zinc/12/91/90/319129190.db2.gz VBYXIQUIMFASDC-MRXNPFEDSA-N 1 0 342.395 2.656 20 5 EFBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000567680995 319195867 /nfs/dbraw/zinc/19/58/67/319195867.db2.gz KBGVFHHUHNLFQJ-PBHICJAKSA-N 1 0 344.415 2.555 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693102 319198805 /nfs/dbraw/zinc/19/88/05/319198805.db2.gz KACVJDSPOGFZNE-MNOVXSKESA-N 1 0 336.310 2.513 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693100 319198976 /nfs/dbraw/zinc/19/89/76/319198976.db2.gz KACVJDSPOGFZNE-GHMZBOCLSA-N 1 0 336.310 2.513 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000567810902 319213628 /nfs/dbraw/zinc/21/36/28/319213628.db2.gz LSRMVVBLCOBDIX-AWEZNQCLSA-N 1 0 347.415 2.875 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000567897626 319223748 /nfs/dbraw/zinc/22/37/48/319223748.db2.gz JXUWHHMXLKESBL-CYBMUJFWSA-N 1 0 346.387 2.674 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905253 319224358 /nfs/dbraw/zinc/22/43/58/319224358.db2.gz NRIUUDKGPQOAKM-MWLCHTKSSA-N 1 0 346.330 2.514 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc2c(c1)COC2)Nc1ccccc1[N+](=O)[O-] ZINC000568078598 319244456 /nfs/dbraw/zinc/24/44/56/319244456.db2.gz XPXWSQFNSKMPBQ-UHFFFAOYSA-N 1 0 341.367 2.743 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568390428 319279673 /nfs/dbraw/zinc/27/96/73/319279673.db2.gz MUTRUIITOKUGCE-CXAGYDPISA-N 1 0 339.395 2.967 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000568462483 319284627 /nfs/dbraw/zinc/28/46/27/319284627.db2.gz AJVGBVROAIWTHX-YXJHDRRASA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000568462482 319284697 /nfs/dbraw/zinc/28/46/97/319284697.db2.gz AJVGBVROAIWTHX-QILLFSRXSA-N 1 0 333.432 2.889 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568531371 319293545 /nfs/dbraw/zinc/29/35/45/319293545.db2.gz CBVVIYBCXZAPIU-LALPHHSUSA-N 1 0 338.429 2.528 20 5 EFBDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000568662583 319306920 /nfs/dbraw/zinc/30/69/20/319306920.db2.gz DGHFCSLJURFVMT-VBQJREDUSA-N 1 0 333.432 2.671 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000568768144 319317384 /nfs/dbraw/zinc/31/73/84/319317384.db2.gz HVSFHDOSMKJZCN-AWEZNQCLSA-N 1 0 336.436 2.945 20 5 EFBDRO Cc1ccc(F)c(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873447 319326640 /nfs/dbraw/zinc/32/66/40/319326640.db2.gz YBZSQNDGLNVBQR-INIZCTEOSA-N 1 0 348.374 2.614 20 5 EFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000568970283 319335264 /nfs/dbraw/zinc/33/52/64/319335264.db2.gz FFARLEAIINEQOD-ZDUSSCGKSA-N 1 0 343.383 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c[nH]c4nccnc34)c2c1 ZINC000569057894 319342607 /nfs/dbraw/zinc/34/26/07/319342607.db2.gz IRHRGLNPFUCHNX-UHFFFAOYSA-N 1 0 336.355 2.631 20 5 EFBDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000569095562 319347915 /nfs/dbraw/zinc/34/79/15/319347915.db2.gz SGOWXFAIYIOKQZ-OAHLLOKOSA-N 1 0 348.424 2.846 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NCc1ccccc1 ZINC000570174621 319451804 /nfs/dbraw/zinc/45/18/04/319451804.db2.gz CKLHMWDALHOQFG-QGZVFWFLSA-N 1 0 339.395 2.878 20 5 EFBDRO COc1ccc(-c2ccc(CN(C)[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000570395821 319472513 /nfs/dbraw/zinc/47/25/13/319472513.db2.gz CRUUAVHVPWZPIX-GFCCVEGCSA-N 1 0 331.372 2.657 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@]12CCCO2 ZINC000570650091 319498324 /nfs/dbraw/zinc/49/83/24/319498324.db2.gz OCWWBNXMDAPGFG-OWLYRPNTSA-N 1 0 332.400 2.898 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC000570963806 319530238 /nfs/dbraw/zinc/53/02/38/319530238.db2.gz SKMZSRBLUAJEQZ-SNVBAGLBSA-N 1 0 342.804 2.839 20 5 EFBDRO CCOc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000571039524 319536139 /nfs/dbraw/zinc/53/61/39/319536139.db2.gz BLMJUGJIQNCVPZ-OAHLLOKOSA-N 1 0 346.383 2.523 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000571198264 319550836 /nfs/dbraw/zinc/55/08/36/319550836.db2.gz IKGHZPSUAFJHPF-AAEUAGOBSA-N 1 0 330.331 2.502 20 5 EFBDRO CC(C)CSCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571315570 319563298 /nfs/dbraw/zinc/56/32/98/319563298.db2.gz KEBGSNOBENEVTJ-UHFFFAOYSA-N 1 0 325.434 2.902 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571627259 319591452 /nfs/dbraw/zinc/59/14/52/319591452.db2.gz LDMFPRFVGSZIPV-CYBMUJFWSA-N 1 0 330.310 2.589 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000572103997 319637140 /nfs/dbraw/zinc/63/71/40/319637140.db2.gz JXYXOWDFAUOCLF-BBWFWOEESA-N 1 0 349.479 2.985 20 5 EFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000572595201 319685758 /nfs/dbraw/zinc/68/57/58/319685758.db2.gz ZFZWZLJSSXFULG-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C(CC[NH2+]C1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000573548414 319776210 /nfs/dbraw/zinc/77/62/10/319776210.db2.gz VXWKRLVRLNSMQS-UHFFFAOYSA-N 1 0 325.368 2.680 20 5 EFBDRO C[C@@H](Cc1ccncc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574191933 319839384 /nfs/dbraw/zinc/83/93/84/319839384.db2.gz NKHILDHTYOUUEY-ZDUSSCGKSA-N 1 0 328.372 2.539 20 5 EFBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575116681 319926290 /nfs/dbraw/zinc/92/62/90/319926290.db2.gz JAPIZODFVAOGDJ-CYBMUJFWSA-N 1 0 343.383 2.850 20 5 EFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000576332404 320006449 /nfs/dbraw/zinc/00/64/49/320006449.db2.gz VCXWJOHXDSIDBY-CZUORRHYSA-N 1 0 339.823 2.971 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000576524426 320024088 /nfs/dbraw/zinc/02/40/88/320024088.db2.gz OZNFQIOCNNIQPJ-GOEBONIOSA-N 1 0 331.416 2.518 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000576742279 320044266 /nfs/dbraw/zinc/04/42/66/320044266.db2.gz GWTABQUCKKXQGJ-LBPRGKRZSA-N 1 0 337.395 2.686 20 5 EFBDRO CCc1cnccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576817495 320051178 /nfs/dbraw/zinc/05/11/78/320051178.db2.gz JTEPNOCRIXTVFQ-UHFFFAOYSA-N 1 0 328.372 2.671 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576815659 320051206 /nfs/dbraw/zinc/05/12/06/320051206.db2.gz FVEOGYLTTIOPMG-SKDRFNHKSA-N 1 0 345.321 2.956 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576829508 320052850 /nfs/dbraw/zinc/05/28/50/320052850.db2.gz CRRNPZHLQXAVPB-YVEFUNNKSA-N 1 0 343.427 2.918 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)OC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000577629946 320130187 /nfs/dbraw/zinc/13/01/87/320130187.db2.gz WVSYGWLNBBKRBI-ZDUSSCGKSA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577963421 320160726 /nfs/dbraw/zinc/16/07/26/320160726.db2.gz ZCIPBBRCQFIIEN-RDTXWAMCSA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000578036732 320167453 /nfs/dbraw/zinc/16/74/53/320167453.db2.gz CNOOKNTVQHSMFI-NSHDSACASA-N 1 0 347.346 2.880 20 5 EFBDRO C[C@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000578062566 320169535 /nfs/dbraw/zinc/16/95/35/320169535.db2.gz QXNONFMSHSONCL-AWEZNQCLSA-N 1 0 333.432 2.937 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000578063785 320169643 /nfs/dbraw/zinc/16/96/43/320169643.db2.gz UARWHPHZAHDHOQ-HNNXBMFYSA-N 1 0 346.431 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2=CCCCC2)cc1 ZINC000578395609 320201975 /nfs/dbraw/zinc/20/19/75/320201975.db2.gz IMGDXNKOPMWGLF-UHFFFAOYSA-N 1 0 338.429 2.849 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578623295 320223595 /nfs/dbraw/zinc/22/35/95/320223595.db2.gz WHRYYVIKGIBMHD-HNNXBMFYSA-N 1 0 340.383 2.808 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000181356318 323233023 /nfs/dbraw/zinc/23/30/23/323233023.db2.gz GMTSEFOOINKWTE-ZDUSSCGKSA-N 1 0 342.746 2.694 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cccc1Cl ZINC000181733438 323247671 /nfs/dbraw/zinc/24/76/71/323247671.db2.gz ULUSQSLRGCPLCW-SNVBAGLBSA-N 1 0 339.754 2.900 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181839024 323252805 /nfs/dbraw/zinc/25/28/05/323252805.db2.gz QAGBELNOBDRZBP-GFCCVEGCSA-N 1 0 331.416 2.859 20 5 EFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181844327 323253109 /nfs/dbraw/zinc/25/31/09/323253109.db2.gz MRFBITYODCYOJA-LSDHHAIUSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@@H](C)C[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181947771 323256657 /nfs/dbraw/zinc/25/66/57/323256657.db2.gz ADKVUSSOFMNPOO-CYBMUJFWSA-N 1 0 328.434 2.737 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000182287784 323274913 /nfs/dbraw/zinc/27/49/13/323274913.db2.gz QOVKZCGCWHGDHX-ZIAGYGMSSA-N 1 0 332.360 2.692 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000182331158 323277224 /nfs/dbraw/zinc/27/72/24/323277224.db2.gz IGVUYDVNNPOHMI-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182367256 323279525 /nfs/dbraw/zinc/27/95/25/323279525.db2.gz JBXSDEGMBBMWMN-BXUZGUMPSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1 ZINC000182370149 323279696 /nfs/dbraw/zinc/27/96/96/323279696.db2.gz XJSDYTTYJANNSN-UONOGXRCSA-N 1 0 332.360 2.692 20 5 EFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184683496 323371298 /nfs/dbraw/zinc/37/12/98/323371298.db2.gz KSINBIZGHSWPEE-HNNXBMFYSA-N 1 0 347.371 2.802 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000184926375 323378253 /nfs/dbraw/zinc/37/82/53/323378253.db2.gz AUUKQKIJDCEYJX-TZMCWYRMSA-N 1 0 339.411 2.930 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000184926324 323378255 /nfs/dbraw/zinc/37/82/55/323378255.db2.gz AUUKQKIJDCEYJX-JSGCOSHPSA-N 1 0 339.411 2.930 20 5 EFBDRO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185129925 323384351 /nfs/dbraw/zinc/38/43/51/323384351.db2.gz PHHUUSLIGQEOJX-GXTWGEPZSA-N 1 0 337.395 2.780 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000194035521 323498812 /nfs/dbraw/zinc/49/88/12/323498812.db2.gz VBRNYCJDXQTIHH-YRGRVCCFSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000194035773 323498930 /nfs/dbraw/zinc/49/89/30/323498930.db2.gz LNRAVRXJBVSZLH-YRGRVCCFSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000194414649 323507184 /nfs/dbraw/zinc/50/71/84/323507184.db2.gz QYVZTDFUQNIOAT-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000396360946 323791332 /nfs/dbraw/zinc/79/13/32/323791332.db2.gz KZHXRFIBINBBDT-UHFFFAOYSA-N 1 0 332.322 2.963 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578859582 323826983 /nfs/dbraw/zinc/82/69/83/323826983.db2.gz FFJWFZRPNPTCHY-PBHICJAKSA-N 1 0 342.395 2.920 20 5 EFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004188 323862986 /nfs/dbraw/zinc/86/29/86/323862986.db2.gz FZZMRICXUPHDIV-QGZVFWFLSA-N 1 0 339.395 2.830 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579109315 323886226 /nfs/dbraw/zinc/88/62/26/323886226.db2.gz QZEMDPTWMUYGIM-UHFFFAOYSA-N 1 0 343.811 2.521 20 5 EFBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579393189 323948270 /nfs/dbraw/zinc/94/82/70/323948270.db2.gz HVUXXXYMDBLUOL-JSGCOSHPSA-N 1 0 336.413 2.617 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000580193537 324117895 /nfs/dbraw/zinc/11/78/95/324117895.db2.gz HHVPVAFVTNKEMX-STQMWFEESA-N 1 0 340.351 2.517 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000580537756 324183422 /nfs/dbraw/zinc/18/34/22/324183422.db2.gz IIUGUZGAEYLBTN-VIFPVBQESA-N 1 0 346.309 2.816 20 5 EFBDRO CC[C@H]1CCCCN1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580553836 324186388 /nfs/dbraw/zinc/18/63/88/324186388.db2.gz HMRHQBMCLPJDMM-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000580737431 324224163 /nfs/dbraw/zinc/22/41/63/324224163.db2.gz UCLZAHINEMEBDG-GDBMZVCRSA-N 1 0 346.358 2.751 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000581188615 324323977 /nfs/dbraw/zinc/32/39/77/324323977.db2.gz DNGZKXDQENDDFA-HNNXBMFYSA-N 1 0 343.383 2.867 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000581200517 324328266 /nfs/dbraw/zinc/32/82/66/324328266.db2.gz QTNHRLDZGWNOFK-WMLDXEAASA-N 1 0 330.359 2.914 20 5 EFBDRO CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290037 324343626 /nfs/dbraw/zinc/34/36/26/324343626.db2.gz NXODQDBFSVHABK-CABCVRRESA-N 1 0 332.408 2.842 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000581462529 324381971 /nfs/dbraw/zinc/38/19/71/324381971.db2.gz IRQVPSCYUBTHGZ-HOCLYGCPSA-N 1 0 333.432 2.764 20 5 EFBDRO CCc1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000581484248 324388737 /nfs/dbraw/zinc/38/87/37/324388737.db2.gz ZMMXFBFGULCHPX-UHFFFAOYSA-N 1 0 348.428 2.775 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000581947862 324487183 /nfs/dbraw/zinc/48/71/83/324487183.db2.gz OYWNYMHZLYQTAL-GFCCVEGCSA-N 1 0 337.811 2.739 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000581954144 324488985 /nfs/dbraw/zinc/48/89/85/324488985.db2.gz LAIGVBFYMVJHRT-XDKFSHSGSA-N 1 0 343.427 2.819 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000581999023 324498005 /nfs/dbraw/zinc/49/80/05/324498005.db2.gz LMWZIHRGVVCFBJ-QWHCGFSZSA-N 1 0 344.358 2.750 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583390743 324803732 /nfs/dbraw/zinc/80/37/32/324803732.db2.gz ZKSYVGYAGIMGQE-UHFFFAOYSA-N 1 0 339.395 2.902 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC000583574552 324835820 /nfs/dbraw/zinc/83/58/20/324835820.db2.gz CGZVUMNYFQIPMC-AWEZNQCLSA-N 1 0 330.413 2.717 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000583865694 324885465 /nfs/dbraw/zinc/88/54/65/324885465.db2.gz KNPGWFGFQRYHED-UHFFFAOYSA-N 1 0 326.194 2.690 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510120 472203033 /nfs/dbraw/zinc/20/30/33/472203033.db2.gz TVKDUUYWJOACJI-ZDUSSCGKSA-N 1 0 348.428 2.580 20 5 EFBDRO CCO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155450187 472551508 /nfs/dbraw/zinc/55/15/08/472551508.db2.gz YQAKCZAMLGKMRG-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000102061184 472563303 /nfs/dbraw/zinc/56/33/03/472563303.db2.gz VKFJHKGULRMPKU-UHFFFAOYSA-N 1 0 346.334 2.658 20 5 EFBDRO O=C(NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000090184266 472608303 /nfs/dbraw/zinc/60/83/03/472608303.db2.gz QYVGDIHZHMHRRH-KRWDZBQOSA-N 1 0 345.443 2.812 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000090184554 472608827 /nfs/dbraw/zinc/60/88/27/472608827.db2.gz KEJWLENLMLKTHP-CYBMUJFWSA-N 1 0 349.431 2.951 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124141217 473214887 /nfs/dbraw/zinc/21/48/87/473214887.db2.gz GKROCJHOCNGWBF-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000081551924 473217784 /nfs/dbraw/zinc/21/77/84/473217784.db2.gz VJOOTLYROWMQHK-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000081569344 473222753 /nfs/dbraw/zinc/22/27/53/473222753.db2.gz LFJYAVWTZFQQBS-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000124239950 473222835 /nfs/dbraw/zinc/22/28/35/473222835.db2.gz YUZFYUKRHIXBDR-RHSMWYFYSA-N 1 0 342.399 2.834 20 5 EFBDRO C[C@@H]1[C@H](C)OCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000139126252 473227320 /nfs/dbraw/zinc/22/73/20/473227320.db2.gz JJBSJDOJJMFJPA-OLZOCXBDSA-N 1 0 331.372 2.902 20 5 EFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081597774 473227938 /nfs/dbraw/zinc/22/79/38/473227938.db2.gz XCAVWYRIHJRWGG-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000139180340 473228164 /nfs/dbraw/zinc/22/81/64/473228164.db2.gz CEBABXAGPKPIBG-ZDUSSCGKSA-N 1 0 336.436 2.877 20 5 EFBDRO C[C@]1(O)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124300449 473230112 /nfs/dbraw/zinc/23/01/12/473230112.db2.gz VWMIXLDGNNBTNY-KRWDZBQOSA-N 1 0 331.372 2.639 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630512 473234496 /nfs/dbraw/zinc/23/44/96/473234496.db2.gz MROCWFMPUSPOKB-MRXNPFEDSA-N 1 0 333.432 2.637 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1[N+](=O)[O-] ZINC000095982160 473241761 /nfs/dbraw/zinc/24/17/61/473241761.db2.gz XKQQNPDYCCUQJA-FZMZJTMJSA-N 1 0 345.403 2.559 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000140119427 473242649 /nfs/dbraw/zinc/24/26/49/473242649.db2.gz QMGRBGHGLKBEIQ-LBPRGKRZSA-N 1 0 348.428 2.626 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140384874 473244892 /nfs/dbraw/zinc/24/48/92/473244892.db2.gz ONRKFYGFGXVPQM-HBUWYVDXSA-N 1 0 347.415 2.549 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000141268384 473252573 /nfs/dbraw/zinc/25/25/73/473252573.db2.gz ZSWUMODKLDGJLM-UHFFFAOYSA-N 1 0 339.395 2.941 20 5 EFBDRO C[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000161673919 473252816 /nfs/dbraw/zinc/25/28/16/473252816.db2.gz OUWQLAXZSYIRBD-WCBMZHEXSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000171041236 473261730 /nfs/dbraw/zinc/26/17/30/473261730.db2.gz UJZJRUXAFCZRFW-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486954894 468015084 /nfs/dbraw/zinc/01/50/84/468015084.db2.gz JWZRQNLBEUJDRS-LBPRGKRZSA-N 1 0 331.376 2.931 20 5 EFBDRO C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184942948 473279604 /nfs/dbraw/zinc/27/96/04/473279604.db2.gz BDWPQSPECKPQDU-LLVKDONJSA-N 1 0 335.379 2.580 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000081995622 473283657 /nfs/dbraw/zinc/28/36/57/473283657.db2.gz MBGQQVQMPCDQGB-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124713357 473291097 /nfs/dbraw/zinc/29/10/97/473291097.db2.gz DOBBJTULBKGNOW-OAHLLOKOSA-N 1 0 333.432 2.922 20 5 EFBDRO COc1cc(C[NH2+]CCSC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000171128320 473295153 /nfs/dbraw/zinc/29/51/53/473295153.db2.gz YSARSJCFWQYMGM-UHFFFAOYSA-N 1 0 340.323 2.955 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000171167715 473308437 /nfs/dbraw/zinc/30/84/37/473308437.db2.gz SWEPRSYYMWOKSH-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO C[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000171169970 473308600 /nfs/dbraw/zinc/30/86/00/473308600.db2.gz WEPNWBBUFNRIEE-UHFFFAOYSA-N 1 0 342.399 2.526 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000162258288 473321017 /nfs/dbraw/zinc/32/10/17/473321017.db2.gz GOAULPDZDJPOEY-CQSZACIVSA-N 1 0 333.432 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000083171094 473327376 /nfs/dbraw/zinc/32/73/76/473327376.db2.gz OEDDQHSZGINVFM-AWEZNQCLSA-N 1 0 330.388 2.796 20 5 EFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000112916043 473330101 /nfs/dbraw/zinc/33/01/01/473330101.db2.gz KMBXUFLFTUMSKS-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000112925152 473332551 /nfs/dbraw/zinc/33/25/51/473332551.db2.gz QWKHMHRVOJNECU-BQYQJAHWSA-N 1 0 331.416 2.798 20 5 EFBDRO COc1ccc([C@@H](CO)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112995843 473345290 /nfs/dbraw/zinc/34/52/90/473345290.db2.gz GWYJTVXBSJWIQJ-GOSISDBHSA-N 1 0 346.383 2.648 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616059399 469360030 /nfs/dbraw/zinc/36/00/30/469360030.db2.gz QGIIMFXATOMIGV-AWEZNQCLSA-N 1 0 330.388 2.666 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000150757998 473348674 /nfs/dbraw/zinc/34/86/74/473348674.db2.gz HATQXCXSZRVGHV-OAHLLOKOSA-N 1 0 342.399 2.603 20 5 EFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125074525 473352532 /nfs/dbraw/zinc/35/25/32/473352532.db2.gz TYGRYNIAJMYFHU-CQSZACIVSA-N 1 0 343.383 2.813 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150796523 473355533 /nfs/dbraw/zinc/35/55/33/473355533.db2.gz QDKLHMIYDUMANR-INIZCTEOSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1cc(C[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000190690447 473362378 /nfs/dbraw/zinc/36/23/78/473362378.db2.gz XBQWQNGGHVHVHG-NSHDSACASA-N 1 0 326.418 2.939 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185243362 473374434 /nfs/dbraw/zinc/37/44/34/473374434.db2.gz PWYYVGRQRBJEBX-SGMGOOAPSA-N 1 0 335.379 2.533 20 5 EFBDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000171412837 473381896 /nfs/dbraw/zinc/38/18/96/473381896.db2.gz CFMIDNQRNFPGSH-UHFFFAOYSA-N 1 0 342.399 2.503 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000185304606 473390237 /nfs/dbraw/zinc/39/02/37/473390237.db2.gz XOWTYORZNITUPS-OAHLLOKOSA-N 1 0 343.383 2.828 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162861045 473391631 /nfs/dbraw/zinc/39/16/31/473391631.db2.gz OYAXQYMQYRRDJA-GFCCVEGCSA-N 1 0 348.428 2.966 20 5 EFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000300487682 476154940 /nfs/dbraw/zinc/15/49/40/476154940.db2.gz NAZHWAJCKVQVQG-KOLCDFICSA-N 1 0 328.210 2.839 20 5 EFBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000452115080 476834895 /nfs/dbraw/zinc/83/48/95/476834895.db2.gz KUWRCOJLNAKTRV-CYBMUJFWSA-N 1 0 325.384 2.657 20 5 EFBDRO Cc1cc(Br)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000453562963 477237883 /nfs/dbraw/zinc/23/78/83/477237883.db2.gz CPDHIAXYHKFFFY-UHFFFAOYSA-N 1 0 345.222 2.714 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000423975267 477241298 /nfs/dbraw/zinc/24/12/98/477241298.db2.gz LSGIYUYGNBUELC-QGZVFWFLSA-N 1 0 327.384 2.895 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495119265 478125254 /nfs/dbraw/zinc/12/52/54/478125254.db2.gz PAJSULMOOIFSBH-MNOVXSKESA-N 1 0 343.811 2.649 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602657630 479453763 /nfs/dbraw/zinc/45/37/63/479453763.db2.gz PEUMIMWMHSRPGK-UHFFFAOYSA-N 1 0 348.266 2.946 20 5 EFBDRO C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000593882652 479495541 /nfs/dbraw/zinc/49/55/41/479495541.db2.gz JJSSQLAZBMUFKI-CYBMUJFWSA-N 1 0 337.395 2.782 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593882291 479495776 /nfs/dbraw/zinc/49/57/76/479495776.db2.gz GKYFIEKNJDYGMB-UHFFFAOYSA-N 1 0 344.415 2.563 20 5 EFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000619845119 479894674 /nfs/dbraw/zinc/89/46/74/479894674.db2.gz QKUFTOCDQIAWDH-GFCCVEGCSA-N 1 0 328.434 2.640 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868435 479898130 /nfs/dbraw/zinc/89/81/30/479898130.db2.gz OIYKWFWJEOCGDR-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868441 479898327 /nfs/dbraw/zinc/89/83/27/479898327.db2.gz WAEUEHAWQOGZML-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO Cc1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000619868418 479898538 /nfs/dbraw/zinc/89/85/38/479898538.db2.gz ZFURWVMYQNGAMW-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000006992447 471583054 /nfs/dbraw/zinc/58/30/54/471583054.db2.gz NHYOYFZNTIFNAX-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009834733 471721704 /nfs/dbraw/zinc/72/17/04/471721704.db2.gz HHOAXKFNRSHYNB-INIZCTEOSA-N 1 0 343.383 2.684 20 5 EFBDRO COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010018063 471726580 /nfs/dbraw/zinc/72/65/80/471726580.db2.gz MTBJLADUAPCGKR-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000014939374 471882785 /nfs/dbraw/zinc/88/27/85/471882785.db2.gz ONHGTHJIIWVZJT-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000015172155 471891834 /nfs/dbraw/zinc/89/18/34/471891834.db2.gz ZPPXWRSLHXYKJL-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000015539894 471908342 /nfs/dbraw/zinc/90/83/42/471908342.db2.gz NWJXKMZTFZJNJW-KRWDZBQOSA-N 1 0 339.395 2.908 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000016470615 471938093 /nfs/dbraw/zinc/93/80/93/471938093.db2.gz FKTFOSFQTJFKJX-UHFFFAOYSA-N 1 0 327.384 2.847 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000067004124 471981345 /nfs/dbraw/zinc/98/13/45/471981345.db2.gz GAVODGALKMCSIT-QGZVFWFLSA-N 1 0 348.447 2.905 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053561246 472019391 /nfs/dbraw/zinc/01/93/91/472019391.db2.gz MUKRJTCTJPSUMT-QGZVFWFLSA-N 1 0 348.447 2.877 20 5 EFBDRO CNC(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000053557850 472019726 /nfs/dbraw/zinc/01/97/26/472019726.db2.gz VLNXETMWFSDYCM-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713431 472039707 /nfs/dbraw/zinc/03/97/07/472039707.db2.gz GLBOUYLASIZILU-SNVBAGLBSA-N 1 0 343.225 2.895 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000067548482 472047907 /nfs/dbraw/zinc/04/79/07/472047907.db2.gz HWNQKGPQORXBMW-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000024583276 472060136 /nfs/dbraw/zinc/06/01/36/472060136.db2.gz HEMCZILXXHJEEL-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000054130788 472060214 /nfs/dbraw/zinc/06/02/14/472060214.db2.gz NTWZJXXPUPGECY-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000054281645 472072371 /nfs/dbraw/zinc/07/23/71/472072371.db2.gz BDWLHCXBWBVFOF-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCCO)o2)c(Cl)c1 ZINC000067697499 472073442 /nfs/dbraw/zinc/07/34/42/472073442.db2.gz BFPYABZJIQTZCJ-UHFFFAOYSA-N 1 0 340.763 2.607 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054287804 472073978 /nfs/dbraw/zinc/07/39/78/472073978.db2.gz KKROCFYWNWAYHN-LBPRGKRZSA-N 1 0 337.395 2.974 20 5 EFBDRO CNC(=O)c1ccc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000067711107 472076744 /nfs/dbraw/zinc/07/67/44/472076744.db2.gz KNRJVVSAXFELRV-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725626 472079350 /nfs/dbraw/zinc/07/93/50/472079350.db2.gz IEQBBARNYREREV-OAHLLOKOSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000067725683 472079516 /nfs/dbraw/zinc/07/95/16/472079516.db2.gz ZOYJFLWPFKSQQZ-KGLIPLIRSA-N 1 0 334.420 2.657 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000041794345 472083892 /nfs/dbraw/zinc/08/38/92/472083892.db2.gz OPFNJQYJEYZXFO-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000025259859 472088152 /nfs/dbraw/zinc/08/81/52/472088152.db2.gz LXJMJBGHWNZUHQ-GOSISDBHSA-N 1 0 342.395 2.999 20 5 EFBDRO COc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000067813577 472093103 /nfs/dbraw/zinc/09/31/03/472093103.db2.gz MNFTWVLAPPHGFX-KGLIPLIRSA-N 1 0 349.431 2.525 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025633171 472104458 /nfs/dbraw/zinc/10/44/58/472104458.db2.gz SCDCISIVEMYOSA-CQSZACIVSA-N 1 0 339.395 2.771 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000026161069 472125314 /nfs/dbraw/zinc/12/53/14/472125314.db2.gz JOSZTTGEWFEWEJ-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000026227522 472127918 /nfs/dbraw/zinc/12/79/18/472127918.db2.gz KSXGXCDOMWSZTI-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000068084995 472131984 /nfs/dbraw/zinc/13/19/84/472131984.db2.gz XUWWJWCHVLGHJW-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068122189 472137190 /nfs/dbraw/zinc/13/71/90/472137190.db2.gz DHYKPIYWDXLZQL-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068131951 472139658 /nfs/dbraw/zinc/13/96/58/472139658.db2.gz FFEHXGLVCFFPHX-CQSZACIVSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134711 472140073 /nfs/dbraw/zinc/14/00/73/472140073.db2.gz UHJQXQRVKLUEAD-INIZCTEOSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000042507826 472141187 /nfs/dbraw/zinc/14/11/87/472141187.db2.gz SUDQXJPKGGOYMW-HNNXBMFYSA-N 1 0 348.447 2.504 20 5 EFBDRO C[C@@H]([N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000027135062 472163359 /nfs/dbraw/zinc/16/33/59/472163359.db2.gz OYVMFMXKBLHFOI-SNVBAGLBSA-N 1 0 337.376 2.628 20 5 EFBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000075630886 472172625 /nfs/dbraw/zinc/17/26/25/472172625.db2.gz ZAJGPGJGHPERDC-QGZVFWFLSA-N 1 0 342.399 2.880 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000055378884 472176086 /nfs/dbraw/zinc/17/60/86/472176086.db2.gz QZGGLOAPLNSGJI-UHFFFAOYSA-N 1 0 325.412 2.955 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055389367 472176913 /nfs/dbraw/zinc/17/69/13/472176913.db2.gz GNLNPILRIAJKQD-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027580618 472185235 /nfs/dbraw/zinc/18/52/35/472185235.db2.gz QAORTKNIFGVBHM-QGZVFWFLSA-N 1 0 341.411 2.806 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000027750515 472193704 /nfs/dbraw/zinc/19/37/04/472193704.db2.gz YRQKHYWTDMRZNC-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000075767229 472194064 /nfs/dbraw/zinc/19/40/64/472194064.db2.gz MYIRKUNNIQEVAQ-KRWDZBQOSA-N 1 0 348.403 2.580 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467795 472196238 /nfs/dbraw/zinc/19/62/38/472196238.db2.gz AFKDYFGYRYXEHA-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000027939383 472203294 /nfs/dbraw/zinc/20/32/94/472203294.db2.gz RLGFGWTVLDIZGB-UHFFFAOYSA-N 1 0 343.383 2.625 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836282 472203651 /nfs/dbraw/zinc/20/36/51/472203651.db2.gz WDVICMPVXJYTIR-MRXNPFEDSA-N 1 0 333.432 2.781 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075849357 472206447 /nfs/dbraw/zinc/20/64/47/472206447.db2.gz OMQXOLXFXTZZQW-LLVKDONJSA-N 1 0 335.429 2.531 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000085620442 472261023 /nfs/dbraw/zinc/26/10/23/472261023.db2.gz HRIGMYLSKMRCNT-AWEZNQCLSA-N 1 0 332.404 2.914 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000068902532 472263257 /nfs/dbraw/zinc/26/32/57/472263257.db2.gz DBPGGWJPZLGSCR-LLVKDONJSA-N 1 0 328.210 2.888 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000068935836 472267503 /nfs/dbraw/zinc/26/75/03/472267503.db2.gz GDQAAFIHGAZWJI-LLVKDONJSA-N 1 0 325.796 2.708 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069031728 472279114 /nfs/dbraw/zinc/27/91/14/472279114.db2.gz NHRYRDMPGFAXHY-QGZVFWFLSA-N 1 0 333.432 2.924 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000056188451 472291073 /nfs/dbraw/zinc/29/10/73/472291073.db2.gz JWFVCBHLWYSEQJ-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197390 472292296 /nfs/dbraw/zinc/29/22/96/472292296.db2.gz GASUEFNHTHIWNY-UONOGXRCSA-N 1 0 327.384 2.950 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087102220 472306042 /nfs/dbraw/zinc/30/60/42/472306042.db2.gz ZROGUAYVDGMVFI-KRWDZBQOSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000087157494 472310227 /nfs/dbraw/zinc/31/02/27/472310227.db2.gz JPMUXHVKNLTZMV-HNNXBMFYSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(CC(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000069366047 472330676 /nfs/dbraw/zinc/33/06/76/472330676.db2.gz BGRWBNQQSKAUFO-UHFFFAOYSA-N 1 0 349.431 2.528 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069468209 472350893 /nfs/dbraw/zinc/35/08/93/472350893.db2.gz UVTQDGSARKEZBU-OWNNVSBGSA-N 1 0 349.406 2.984 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCCC1 ZINC000088252082 472352085 /nfs/dbraw/zinc/35/20/85/472352085.db2.gz XHKUTIMXTIEERY-CQSZACIVSA-N 1 0 331.416 2.744 20 5 EFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000088250950 472352177 /nfs/dbraw/zinc/35/21/77/472352177.db2.gz VQOKEKNIVWWOCO-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)c1 ZINC000044938001 472355077 /nfs/dbraw/zinc/35/50/77/472355077.db2.gz UGJAWNNDHPHDHA-GFCCVEGCSA-N 1 0 344.371 2.646 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000088349636 472358563 /nfs/dbraw/zinc/35/85/63/472358563.db2.gz PMFOYILVBMUGKU-SFHVURJKSA-N 1 0 345.443 2.990 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000076666088 472383112 /nfs/dbraw/zinc/38/31/12/472383112.db2.gz JDIKVBWPSDUOOO-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000076694170 472385894 /nfs/dbraw/zinc/38/58/94/472385894.db2.gz VXERQBNWPUCWBH-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000076719566 472390531 /nfs/dbraw/zinc/39/05/31/472390531.db2.gz QXJVLXBQYGHNGP-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000154150707 472395551 /nfs/dbraw/zinc/39/55/51/472395551.db2.gz SSUWGPMEMLMOFL-CYBMUJFWSA-N 1 0 334.397 2.719 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000076744485 472397033 /nfs/dbraw/zinc/39/70/33/472397033.db2.gz DNZSMQMEXVMEJM-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000154170242 472397166 /nfs/dbraw/zinc/39/71/66/472397166.db2.gz KERONHBJUYLQCD-CQSZACIVSA-N 1 0 337.395 2.974 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000057213357 472398075 /nfs/dbraw/zinc/39/80/75/472398075.db2.gz MOMUKHGVMAXFAI-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO CC1CC[NH+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057213346 472398125 /nfs/dbraw/zinc/39/81/25/472398125.db2.gz MDQWGLUGMVMWGH-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO COc1cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613390000 479985366 /nfs/dbraw/zinc/98/53/66/479985366.db2.gz PNAFICCZFIYTSS-MLGOLLRUSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCc1nccs1)OCCO2 ZINC000076892326 472420954 /nfs/dbraw/zinc/42/09/54/472420954.db2.gz VGJXYLXTHWPLEQ-UHFFFAOYSA-N 1 0 335.385 2.545 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000045624136 472435084 /nfs/dbraw/zinc/43/50/84/472435084.db2.gz VFPVQSIICLZWHQ-HNNXBMFYSA-N 1 0 348.428 2.758 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045623492 472435263 /nfs/dbraw/zinc/43/52/63/472435263.db2.gz GVIPZULCUZLGAV-OAHLLOKOSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333365 472464061 /nfs/dbraw/zinc/46/40/61/472464061.db2.gz IBGRFAZZBBYQFB-CHWSQXEVSA-N 1 0 333.388 2.871 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000089603392 472468494 /nfs/dbraw/zinc/46/84/94/472468494.db2.gz GUIAUSGNVPTUNZ-LLVKDONJSA-N 1 0 327.331 2.538 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089643947 472476321 /nfs/dbraw/zinc/47/63/21/472476321.db2.gz QOEUEVYLKMTLPS-ROUUACIJSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089643940 472476570 /nfs/dbraw/zinc/47/65/70/472476570.db2.gz WBTOLJKUSYJWFF-MSOLQXFVSA-N 1 0 341.411 2.951 20 5 EFBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838277 472482082 /nfs/dbraw/zinc/48/20/82/472482082.db2.gz ZDKNTNGARXMLCS-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO Cc1cccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000033089317 472494806 /nfs/dbraw/zinc/49/48/06/472494806.db2.gz ZBLAYDJDGKWDHE-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000118640197 472503077 /nfs/dbraw/zinc/50/30/77/472503077.db2.gz LBZYGOTYYNRURD-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000058080324 472503296 /nfs/dbraw/zinc/50/32/96/472503296.db2.gz MXSVNAYUWDCTPI-UHFFFAOYSA-N 1 0 343.431 2.852 20 5 EFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000118640192 472503366 /nfs/dbraw/zinc/50/33/66/472503366.db2.gz NAPKOUVESYKWKP-UHFFFAOYSA-N 1 0 333.388 2.568 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000098004645 472511494 /nfs/dbraw/zinc/51/14/94/472511494.db2.gz MKSOIQOZRNXEON-KHPPLWFESA-N 1 0 339.395 2.986 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000129066228 472519941 /nfs/dbraw/zinc/51/99/41/472519941.db2.gz ZAHNDJMPCNGNBA-NHYWBVRUSA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000058290683 472537339 /nfs/dbraw/zinc/53/73/39/472537339.db2.gz HOJASRVGCRIZEQ-DLBZAZTESA-N 1 0 347.415 2.875 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000119332105 472547767 /nfs/dbraw/zinc/54/77/67/472547767.db2.gz OBLSHBXTPJSNAP-YVZNUBBCSA-N 1 0 349.406 2.841 20 5 EFBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089927421 472548158 /nfs/dbraw/zinc/54/81/58/472548158.db2.gz ZNUYWMBPFGFGDY-GXTWGEPZSA-N 1 0 331.372 2.843 20 5 EFBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000089927770 472548290 /nfs/dbraw/zinc/54/82/90/472548290.db2.gz CKIPNCHBHJTGQC-UKRRQHHQSA-N 1 0 345.399 2.885 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000046379178 472551592 /nfs/dbraw/zinc/55/15/92/472551592.db2.gz WDBVCSQTPLEVSG-DHZHZOJOSA-N 1 0 339.395 2.986 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000101996746 472560793 /nfs/dbraw/zinc/56/07/93/472560793.db2.gz OXXKJGBQDGKRTN-QLFBSQMISA-N 1 0 348.447 2.760 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1 ZINC000058411650 472565396 /nfs/dbraw/zinc/56/53/96/472565396.db2.gz UUFVCZYIUAWMIQ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000155580364 472573121 /nfs/dbraw/zinc/57/31/21/472573121.db2.gz RJRQKVJZNQYTRQ-RHSMWYFYSA-N 1 0 347.415 2.733 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000102636842 472585967 /nfs/dbraw/zinc/58/59/67/472585967.db2.gz RAEITGBQNSTUEQ-LLVKDONJSA-N 1 0 340.399 2.556 20 5 EFBDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068426 472590105 /nfs/dbraw/zinc/59/01/05/472590105.db2.gz BMGYDTVNASEWBL-QWHCGFSZSA-N 1 0 345.321 2.799 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000130303397 472595460 /nfs/dbraw/zinc/59/54/60/472595460.db2.gz SKLGQCYUCYMVAL-LBPRGKRZSA-N 1 0 349.387 2.773 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155719080 472602635 /nfs/dbraw/zinc/60/26/35/472602635.db2.gz LOJQOBDGVRHGDO-ZDUSSCGKSA-N 1 0 337.445 2.954 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119930642 472603579 /nfs/dbraw/zinc/60/35/79/472603579.db2.gz NRAZVPLOKSAZOQ-OAHLLOKOSA-N 1 0 338.404 2.918 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000046885243 472616979 /nfs/dbraw/zinc/61/69/79/472616979.db2.gz QCSDWSUITLBYNE-HNNXBMFYSA-N 1 0 344.415 2.606 20 5 EFBDRO CCOC(=O)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000120092562 472628890 /nfs/dbraw/zinc/62/88/90/472628890.db2.gz KLUPJBOHJZIUFL-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046953884 472629328 /nfs/dbraw/zinc/62/93/28/472629328.db2.gz GJRJROKHUMNAOK-KBPBESRZSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550922 472634109 /nfs/dbraw/zinc/63/41/09/472634109.db2.gz PZEPUYSTNRGARA-GUYCJALGSA-N 1 0 345.374 2.979 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046989546 472636038 /nfs/dbraw/zinc/63/60/38/472636038.db2.gz KTBNEPVFCVBZTA-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000046997104 472639007 /nfs/dbraw/zinc/63/90/07/472639007.db2.gz TZUAGHICDIOWRM-DZGCQCFKSA-N 1 0 335.429 2.673 20 5 EFBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361105 472647127 /nfs/dbraw/zinc/64/71/27/472647127.db2.gz VSBIVVQLVWQHRQ-INIZCTEOSA-N 1 0 333.432 2.622 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000060358331 472647230 /nfs/dbraw/zinc/64/72/30/472647230.db2.gz YCDACESKAFZYAT-INIZCTEOSA-N 1 0 334.347 2.956 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688467 472652464 /nfs/dbraw/zinc/65/24/64/472652464.db2.gz QFIKUDVCQOVBST-CVEARBPZSA-N 1 0 334.420 2.782 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000047119629 472655981 /nfs/dbraw/zinc/65/59/81/472655981.db2.gz NXOQPHGYRAFIAB-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000047213807 472670873 /nfs/dbraw/zinc/67/08/73/472670873.db2.gz RMNLIMPTAJHWGM-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000104684520 472684537 /nfs/dbraw/zinc/68/45/37/472684537.db2.gz CFWYLRFWQCMTAP-AWEZNQCLSA-N 1 0 349.431 2.857 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156383837 472700246 /nfs/dbraw/zinc/70/02/46/472700246.db2.gz BOBWZZYDBBNTJI-KRWDZBQOSA-N 1 0 329.356 2.522 20 5 EFBDRO CC1(C)CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120518480 472702887 /nfs/dbraw/zinc/70/28/87/472702887.db2.gz DNRPOXVQHIXCKK-HNNXBMFYSA-N 1 0 340.445 2.927 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000091097078 472705604 /nfs/dbraw/zinc/70/56/04/472705604.db2.gz QPACHVCRNBRLLK-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CNc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047416193 472706774 /nfs/dbraw/zinc/70/67/74/472706774.db2.gz IYJFKMNVCORBTJ-ZIAGYGMSSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC1CCOCC1 ZINC000120545985 472708274 /nfs/dbraw/zinc/70/82/74/472708274.db2.gz BBRRHOOFBFHWLV-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725244 472708603 /nfs/dbraw/zinc/70/86/03/472708603.db2.gz FQFOLTSYNILHOE-ZBFHGGJFSA-N 1 0 348.447 2.728 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072733198 472709880 /nfs/dbraw/zinc/70/98/80/472709880.db2.gz FWZFHHCTKAMPTF-OAHLLOKOSA-N 1 0 342.399 2.660 20 5 EFBDRO CC[C@]1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865554 480005278 /nfs/dbraw/zinc/00/52/78/480005278.db2.gz VJGKLBPTRNSZAM-HNNXBMFYSA-N 1 0 346.330 2.864 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc(N)cc(N)[nH+]1 ZINC000078443276 472716577 /nfs/dbraw/zinc/71/65/77/472716577.db2.gz MJTPZYTZRZEKLG-UHFFFAOYSA-N 1 0 335.389 2.629 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000120614182 472718041 /nfs/dbraw/zinc/71/80/41/472718041.db2.gz BVLSUTJQPYCFHE-YPMHNXCESA-N 1 0 337.445 2.729 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000078510171 472726772 /nfs/dbraw/zinc/72/67/72/472726772.db2.gz PDZLWZOQYSLNHH-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075494 472729135 /nfs/dbraw/zinc/72/91/35/472729135.db2.gz CIOBHICTWUUNKN-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000105159696 472729717 /nfs/dbraw/zinc/72/97/17/472729717.db2.gz OMNXMJVRXMQVGX-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000078576284 472736798 /nfs/dbraw/zinc/73/67/98/472736798.db2.gz COEYNPJKNRKESS-OAHLLOKOSA-N 1 0 348.447 2.654 20 5 EFBDRO COc1cc(C[NH2+]CC2(CCO)CCCC2)c([N+](=O)[O-])cc1OC ZINC000072925981 472741998 /nfs/dbraw/zinc/74/19/98/472741998.db2.gz GLOYSRIBZMEEMN-UHFFFAOYSA-N 1 0 338.404 2.644 20 5 EFBDRO Cc1cnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078658005 472748893 /nfs/dbraw/zinc/74/88/93/472748893.db2.gz ASTXYODSGSQLQF-GASCZTMLSA-N 1 0 348.447 2.624 20 5 EFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000105481580 472755088 /nfs/dbraw/zinc/75/50/88/472755088.db2.gz WWYHYJIQIFTRPR-LBPRGKRZSA-N 1 0 331.397 2.692 20 5 EFBDRO Cc1nn(C)c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689425 472754996 /nfs/dbraw/zinc/75/49/96/472754996.db2.gz JKWVVUOJTMIDPM-AWEZNQCLSA-N 1 0 343.431 2.738 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cn1 ZINC000078722722 472759892 /nfs/dbraw/zinc/75/98/92/472759892.db2.gz ARVPKQOZLXNFHQ-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000091453537 472766765 /nfs/dbraw/zinc/76/67/65/472766765.db2.gz UKSJKRBOUKXXIS-HNNXBMFYSA-N 1 0 347.415 2.836 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091476688 472770532 /nfs/dbraw/zinc/77/05/32/472770532.db2.gz IWBKSDFKPNMDRA-IYBDPMFKSA-N 1 0 332.448 2.590 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000091481863 472772367 /nfs/dbraw/zinc/77/23/67/472772367.db2.gz VTPRKMLVDRZSGL-QGZVFWFLSA-N 1 0 346.431 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000091486184 472773048 /nfs/dbraw/zinc/77/30/48/472773048.db2.gz WJVYHJJVXSTMPS-VQIMIIECSA-N 1 0 341.411 2.890 20 5 EFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000063525722 472785199 /nfs/dbraw/zinc/78/51/99/472785199.db2.gz JKWHNXCRHYJZHT-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO O=c1cc(C[NH2+][C@H]2CCc3ncnn3C2)c2c(ccc3ccccc32)o1 ZINC000105870830 472794155 /nfs/dbraw/zinc/79/41/55/472794155.db2.gz WSCXGKWYKBQZBV-HNNXBMFYSA-N 1 0 346.390 2.642 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105873927 472794500 /nfs/dbraw/zinc/79/45/00/472794500.db2.gz ZNHHKZHYCJUJMW-OCCSQVGLSA-N 1 0 329.404 2.975 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000063695184 472801272 /nfs/dbraw/zinc/80/12/72/472801272.db2.gz KELARQBIZPIPMM-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000063692819 472801442 /nfs/dbraw/zinc/80/14/42/472801442.db2.gz HTOREUZOTGDPPN-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000063710487 472804291 /nfs/dbraw/zinc/80/42/91/472804291.db2.gz OFKUSCKONKZJHD-ROJDOSBLSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063758342 472810283 /nfs/dbraw/zinc/81/02/83/472810283.db2.gz KZQAWLIWUHANMM-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133514995 472812744 /nfs/dbraw/zinc/81/27/44/472812744.db2.gz DAJIIBXEGKLXQP-RWMBFGLXSA-N 1 0 337.395 2.830 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000091869066 472819951 /nfs/dbraw/zinc/81/99/51/472819951.db2.gz HBDHUXFFVHDGEP-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121312701 472833967 /nfs/dbraw/zinc/83/39/67/472833967.db2.gz CUDQDPKTCXQWGN-LPHOPBHVSA-N 1 0 348.491 2.909 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC000133827193 472844623 /nfs/dbraw/zinc/84/46/23/472844623.db2.gz DVSSJJURCOKDMR-PXAZEXFGSA-N 1 0 337.395 2.974 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000121424212 472849067 /nfs/dbraw/zinc/84/90/67/472849067.db2.gz YHPDYYUGMCBBRX-LLVKDONJSA-N 1 0 346.330 2.719 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098030 472859116 /nfs/dbraw/zinc/85/91/16/472859116.db2.gz XWBYEEAFNAAQNK-HWKANZROSA-N 1 0 327.388 2.612 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000121572227 472874114 /nfs/dbraw/zinc/87/41/14/472874114.db2.gz GNRIRQNRPPFFPV-HZPDHXFCSA-N 1 0 348.424 2.981 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064931398 472885875 /nfs/dbraw/zinc/88/58/75/472885875.db2.gz IGYVHBBVYFWJMH-UHFFFAOYSA-N 1 0 347.337 2.686 20 5 EFBDRO COc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000073841214 472886396 /nfs/dbraw/zinc/88/63/96/472886396.db2.gz ROXAFMQUNHSBER-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000048552523 472887621 /nfs/dbraw/zinc/88/76/21/472887621.db2.gz YHAVMWCPHKPXDC-UHFFFAOYSA-N 1 0 331.214 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000065223074 472909699 /nfs/dbraw/zinc/90/96/99/472909699.db2.gz NRPJUOVJTQTHDB-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CS[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000134548984 472928298 /nfs/dbraw/zinc/92/82/98/472928298.db2.gz DCLSTIGCQLBBOY-JKSUJKDBSA-N 1 0 349.456 2.918 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000049077136 472928796 /nfs/dbraw/zinc/92/87/96/472928796.db2.gz ODBBPAOIULBOBB-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134607584 472937482 /nfs/dbraw/zinc/93/74/82/472937482.db2.gz WLEJHZIWJQLZFP-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000065424225 472939791 /nfs/dbraw/zinc/93/97/91/472939791.db2.gz XWFYRAMFFJZVBW-LBPRGKRZSA-N 1 0 335.404 2.731 20 5 EFBDRO CC(C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000074102016 472941518 /nfs/dbraw/zinc/94/15/18/472941518.db2.gz ZOEGBJWPFCPSHD-QGZVFWFLSA-N 1 0 348.447 2.557 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092607588 472945533 /nfs/dbraw/zinc/94/55/33/472945533.db2.gz ANFKKFCFBOPFPA-UHFFFAOYSA-N 1 0 333.335 2.576 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074123987 472946523 /nfs/dbraw/zinc/94/65/23/472946523.db2.gz ARDWHKZIHPWXSA-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092642473 472949807 /nfs/dbraw/zinc/94/98/07/472949807.db2.gz FPAXKCXOIDXNKG-HUUCEWRRSA-N 1 0 348.447 2.624 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000079983996 472953928 /nfs/dbraw/zinc/95/39/28/472953928.db2.gz VJVGGQPYNGYXLE-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092656373 472954619 /nfs/dbraw/zinc/95/46/19/472954619.db2.gz HKIKILCLYSEBIO-ZDUSSCGKSA-N 1 0 329.347 2.973 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134709521 472954973 /nfs/dbraw/zinc/95/49/73/472954973.db2.gz DMSWFVBHKDDNMH-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092668140 472959031 /nfs/dbraw/zinc/95/90/31/472959031.db2.gz HHJDWUJCXFIJON-JQWIXIFHSA-N 1 0 329.347 2.973 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000065511162 472959679 /nfs/dbraw/zinc/95/96/79/472959679.db2.gz UGAVDLJRVYXGHY-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000080046272 472966536 /nfs/dbraw/zinc/96/65/36/472966536.db2.gz JJBDCLSSMGJLLN-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080073336 472971306 /nfs/dbraw/zinc/97/13/06/472971306.db2.gz QGGWFYMOGNMITC-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000080079135 472972109 /nfs/dbraw/zinc/97/21/09/472972109.db2.gz NXGGDAHARJAMLL-ZDUSSCGKSA-N 1 0 346.431 2.613 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1Cc1ccccc1 ZINC000134864356 472977298 /nfs/dbraw/zinc/97/72/98/472977298.db2.gz ACALHTFHQDEVBL-OCCSQVGLSA-N 1 0 329.356 2.581 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134904937 472987018 /nfs/dbraw/zinc/98/70/18/472987018.db2.gz GRZBEZHNBWFELZ-CYBMUJFWSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134931134 472992118 /nfs/dbraw/zinc/99/21/18/472992118.db2.gz NOTZGVQBOPUDIA-PBHICJAKSA-N 1 0 339.395 2.988 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092827045 472994934 /nfs/dbraw/zinc/99/49/34/472994934.db2.gz ZMCKRCCNQIZFLK-CQSZACIVSA-N 1 0 335.383 2.745 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092827044 472995242 /nfs/dbraw/zinc/99/52/42/472995242.db2.gz ZMCKRCCNQIZFLK-AWEZNQCLSA-N 1 0 335.383 2.745 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134944842 472995501 /nfs/dbraw/zinc/99/55/01/472995501.db2.gz WKABNAWQTFXHEA-DNVCBOLYSA-N 1 0 345.443 2.922 20 5 EFBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122346572 473004209 /nfs/dbraw/zinc/00/42/09/473004209.db2.gz PIHNYZNHTHJAGK-CQSZACIVSA-N 1 0 348.424 2.589 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065746068 473006181 /nfs/dbraw/zinc/00/61/81/473006181.db2.gz SATZDMVIKWNKOV-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO Cn1cc(CN2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092938258 473008936 /nfs/dbraw/zinc/00/89/36/473008936.db2.gz BCMQHURKPYNIFU-KRWDZBQOSA-N 1 0 343.431 2.521 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000122424836 473012930 /nfs/dbraw/zinc/01/29/30/473012930.db2.gz NJGCQIQUXUBZEI-INIZCTEOSA-N 1 0 330.384 2.951 20 5 EFBDRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000122461975 473017200 /nfs/dbraw/zinc/01/72/00/473017200.db2.gz VERLOOBMJVAAEP-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COCC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093005826 473022759 /nfs/dbraw/zinc/02/27/59/473022759.db2.gz VPFJTYXGCYPWMA-UHFFFAOYSA-N 1 0 336.413 2.764 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051058587 473024027 /nfs/dbraw/zinc/02/40/27/473024027.db2.gz MPOWCNXOVMIRTB-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000080406539 473024923 /nfs/dbraw/zinc/02/49/23/473024923.db2.gz YCBZXEBZUHMMHF-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135169161 473031820 /nfs/dbraw/zinc/03/18/20/473031820.db2.gz YCAVWNCXWWGAQN-GOSISDBHSA-N 1 0 339.395 2.747 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135209830 473036463 /nfs/dbraw/zinc/03/64/63/473036463.db2.gz AKAXHTFZJLBOMM-KOLCDFICSA-N 1 0 329.194 2.872 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080491615 473039166 /nfs/dbraw/zinc/03/91/66/473039166.db2.gz YPXWGAQGFIZTFD-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122637663 473040399 /nfs/dbraw/zinc/04/03/99/473040399.db2.gz IERSCLGFFXEPQQ-INIZCTEOSA-N 1 0 343.383 2.907 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COCc1ccco1)C1CC1 ZINC000135234019 473041104 /nfs/dbraw/zinc/04/11/04/473041104.db2.gz PZNMDSXYRYVNOW-INIZCTEOSA-N 1 0 346.383 2.730 20 5 EFBDRO COc1cccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000051425993 473048720 /nfs/dbraw/zinc/04/87/20/473048720.db2.gz GFSQBLDGEJOKMY-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000074746549 473055762 /nfs/dbraw/zinc/05/57/62/473055762.db2.gz MBHAJJZHKIMBEK-GJZGRUSLSA-N 1 0 348.447 2.624 20 5 EFBDRO Cc1cc(N2CC[NH+](CCc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000074742856 473055814 /nfs/dbraw/zinc/05/58/14/473055814.db2.gz DOAXLNRFPADZIX-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO Cc1c(CC(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000122772543 473056998 /nfs/dbraw/zinc/05/69/98/473056998.db2.gz HZILNMNKCRPSOJ-UHFFFAOYSA-N 1 0 333.432 2.779 20 5 EFBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080617572 473057309 /nfs/dbraw/zinc/05/73/09/473057309.db2.gz LEYCWXFMNOREHX-GFCCVEGCSA-N 1 0 326.828 2.604 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122860513 473065589 /nfs/dbraw/zinc/06/55/89/473065589.db2.gz HYZMEWXZLYDNNZ-UHFFFAOYSA-N 1 0 342.399 2.749 20 5 EFBDRO COC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093337375 473089153 /nfs/dbraw/zinc/08/91/53/473089153.db2.gz SGEXOPSGGVGZQR-AWEZNQCLSA-N 1 0 344.415 2.854 20 5 EFBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052167226 473089933 /nfs/dbraw/zinc/08/99/33/473089933.db2.gz YJSSTYVFERNUGN-UHFFFAOYSA-N 1 0 342.399 2.839 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000052325951 473100289 /nfs/dbraw/zinc/10/02/89/473100289.db2.gz BNYKPZABTPALGB-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080924855 473102168 /nfs/dbraw/zinc/10/21/68/473102168.db2.gz XELGUHSWEDDJJL-UHFFFAOYSA-N 1 0 329.356 2.761 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000080941254 473107939 /nfs/dbraw/zinc/10/79/39/473107939.db2.gz FOXQSUZJULHDFX-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000093454590 473110482 /nfs/dbraw/zinc/11/04/82/473110482.db2.gz RMQMJANECSYMBE-QGZVFWFLSA-N 1 0 344.415 2.582 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(O)CCCC1 ZINC000093503263 473115007 /nfs/dbraw/zinc/11/50/07/473115007.db2.gz HZYVSELMZOJDBJ-UHFFFAOYSA-N 1 0 330.331 2.933 20 5 EFBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066565570 473115120 /nfs/dbraw/zinc/11/51/20/473115120.db2.gz IPHASTZUHZBQKB-UHFFFAOYSA-N 1 0 334.401 2.820 20 5 EFBDRO COc1ccsc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534318 473115599 /nfs/dbraw/zinc/11/55/99/473115599.db2.gz WMQLWCVJTSURPH-LLVKDONJSA-N 1 0 334.401 2.746 20 5 EFBDRO CC(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123254218 473117305 /nfs/dbraw/zinc/11/73/05/473117305.db2.gz IJBWKJZNJHXRCT-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO CC(C)OCC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093586380 473119423 /nfs/dbraw/zinc/11/94/23/473119423.db2.gz DNHRFFIRYPDNBV-FNORWQNLSA-N 1 0 333.432 2.651 20 5 EFBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597551 473121823 /nfs/dbraw/zinc/12/18/23/473121823.db2.gz DWJYBAYVYSYROY-AWEZNQCLSA-N 1 0 349.431 2.530 20 5 EFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000109787534 473122512 /nfs/dbraw/zinc/12/25/12/473122512.db2.gz NADVWFPFSAQOHE-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000080983182 473123293 /nfs/dbraw/zinc/12/32/93/473123293.db2.gz TWTWLVDUQDAUDN-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613533 473125167 /nfs/dbraw/zinc/12/51/67/473125167.db2.gz QXYUWOKTFLBGNB-DLBZAZTESA-N 1 0 334.416 2.655 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613535 473126200 /nfs/dbraw/zinc/12/62/00/473126200.db2.gz QXYUWOKTFLBGNB-IAGOWNOFSA-N 1 0 334.416 2.655 20 5 EFBDRO O=C(c1ccco1)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123317711 473126882 /nfs/dbraw/zinc/12/68/82/473126882.db2.gz ZOGYVAGWUDSAKY-UHFFFAOYSA-N 1 0 343.383 2.625 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110348699 473153113 /nfs/dbraw/zinc/15/31/13/473153113.db2.gz DOUPDCHHZTYEIR-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000136373061 473153956 /nfs/dbraw/zinc/15/39/56/473153956.db2.gz FERZFGHSDOLAOZ-LBPRGKRZSA-N 1 0 343.387 2.945 20 5 EFBDRO Cn1cc(C[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000093869998 473155418 /nfs/dbraw/zinc/15/54/18/473155418.db2.gz FMDRCLSNFNMVES-CSPWOOARSA-N 1 0 326.400 2.906 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000052951089 473166920 /nfs/dbraw/zinc/16/69/20/473166920.db2.gz VGKRIMXVCDDZAD-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000136652220 473170379 /nfs/dbraw/zinc/17/03/79/473170379.db2.gz OYVFUTHLFSJZRU-OTYXRUKQSA-N 1 0 341.795 2.590 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290099 473177706 /nfs/dbraw/zinc/17/77/06/473177706.db2.gz VYOPJFILIRSSJR-CQSZACIVSA-N 1 0 347.415 2.598 20 5 EFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123735961 473179714 /nfs/dbraw/zinc/17/97/14/473179714.db2.gz VLPZJHAMTXQFEF-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000081333985 473186467 /nfs/dbraw/zinc/18/64/67/473186467.db2.gz MPYVHWYQNYBESR-FEAKQIBJSA-N 1 0 331.416 2.798 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000123795612 473186682 /nfs/dbraw/zinc/18/66/82/473186682.db2.gz BJDNFOBHNFUZEI-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113217 473194928 /nfs/dbraw/zinc/19/49/28/473194928.db2.gz CHVBFRKZOOYONL-UNEWFSDZSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113173 473195348 /nfs/dbraw/zinc/19/53/48/473195348.db2.gz CHVBFRKZOOYONL-LXZKKBNFSA-N 1 0 346.431 2.782 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000137382519 473204081 /nfs/dbraw/zinc/20/40/81/473204081.db2.gz RRFZQTQORIFHHW-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124003976 473204389 /nfs/dbraw/zinc/20/43/89/473204389.db2.gz QIZNYXLZUDUDBS-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO CSc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000171564479 473411929 /nfs/dbraw/zinc/41/19/29/473411929.db2.gz DWMPLQRZZYCQRW-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO Cc1c(NC(=O)CCN2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000171692617 473439154 /nfs/dbraw/zinc/43/91/54/473439154.db2.gz UARGJHCAUBOTCN-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH2+]C(C)C)CC1 ZINC000171692564 473439299 /nfs/dbraw/zinc/43/92/99/473439299.db2.gz GUJLCPPRFYXVQM-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000163575589 473455925 /nfs/dbraw/zinc/45/59/25/473455925.db2.gz PWDBETYBLVUUAA-SUMWQHHRSA-N 1 0 327.384 2.590 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000125830306 473462535 /nfs/dbraw/zinc/46/25/35/473462535.db2.gz OUZYBXNDDYWVTL-INIZCTEOSA-N 1 0 345.443 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000114467045 473470448 /nfs/dbraw/zinc/47/04/48/473470448.db2.gz KGSMXBLTEPQKBI-LJQANCHMSA-N 1 0 342.395 2.955 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000164088429 473478078 /nfs/dbraw/zinc/47/80/78/473478078.db2.gz HZIHBVUPYCMUJN-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO CC1CC[NH+](CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000126078986 473484928 /nfs/dbraw/zinc/48/49/28/473484928.db2.gz MDNVVIGCZNGKQM-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000114643335 473488375 /nfs/dbraw/zinc/48/83/75/473488375.db2.gz MMERMKXFTKIEGN-MRXNPFEDSA-N 1 0 339.395 2.989 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000151821947 473496498 /nfs/dbraw/zinc/49/64/98/473496498.db2.gz YYTZWMNRPZYPHE-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000178399668 473505653 /nfs/dbraw/zinc/50/56/53/473505653.db2.gz FCKKOXJVRNBMGG-JTQLQIEISA-N 1 0 339.193 2.905 20 5 EFBDRO CCC[C@H]([NH2+][C@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165117062 473506621 /nfs/dbraw/zinc/50/66/21/473506621.db2.gz IASOIOUHPFBSTR-SJORKVTESA-N 1 0 349.431 2.663 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178409952 473507956 /nfs/dbraw/zinc/50/79/56/473507956.db2.gz TWWJLNBDFYFHHV-XMMPIXPASA-N 1 0 348.424 2.843 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000151980154 473512423 /nfs/dbraw/zinc/51/24/23/473512423.db2.gz LFCWASSFNJDYHE-UHFFFAOYSA-N 1 0 327.812 2.589 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000185783381 473513152 /nfs/dbraw/zinc/51/31/52/473513152.db2.gz OHKHSOVVGSLBTP-LLVKDONJSA-N 1 0 327.768 2.569 20 5 EFBDRO Cc1c(Br)c(N[C@@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000165747304 473515300 /nfs/dbraw/zinc/51/53/00/473515300.db2.gz WKUYAPHLORXVER-QMMMGPOBSA-N 1 0 331.214 2.813 20 5 EFBDRO Cc1c(Br)c(NCC(C)(C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000165749537 473515391 /nfs/dbraw/zinc/51/53/91/473515391.db2.gz OWWWWWXSVBTJEB-UHFFFAOYSA-N 1 0 331.214 2.813 20 5 EFBDRO Cc1c(Br)c(N2CCC([C@@H](C)[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000165820860 473516821 /nfs/dbraw/zinc/51/68/21/473516821.db2.gz IVLYIQYUHBJRPT-SECBINFHSA-N 1 0 343.225 2.624 20 5 EFBDRO Cc1c(Br)c(NCC[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165821117 473517014 /nfs/dbraw/zinc/51/70/14/473517014.db2.gz KNBRZFXILPKUDT-JTQLQIEISA-N 1 0 343.225 2.862 20 5 EFBDRO CN(C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000168264883 473541109 /nfs/dbraw/zinc/54/11/09/473541109.db2.gz UUTUJHQXWQAVDI-KRWDZBQOSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652261 473541562 /nfs/dbraw/zinc/54/15/62/473541562.db2.gz UCEJYFAPYLYPFL-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651495 473541593 /nfs/dbraw/zinc/54/15/93/473541593.db2.gz LZTMCSWWRLPDOX-CQSZACIVSA-N 1 0 327.384 2.604 20 5 EFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178647522 473542147 /nfs/dbraw/zinc/54/21/47/473542147.db2.gz SZKKVHDODFTZAV-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126782896 473545559 /nfs/dbraw/zinc/54/55/59/473545559.db2.gz CMDHPEFJNSJNCM-ZDUSSCGKSA-N 1 0 337.445 2.825 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCOC1 ZINC000178780204 473562161 /nfs/dbraw/zinc/56/21/61/473562161.db2.gz NHJOAVPLDTXCHA-ZDUSSCGKSA-N 1 0 331.372 2.761 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H](O)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172269391 473565494 /nfs/dbraw/zinc/56/54/94/473565494.db2.gz KTHVVKNFAFUMQR-MRXNPFEDSA-N 1 0 346.431 2.882 20 5 EFBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000152494133 473569285 /nfs/dbraw/zinc/56/92/85/473569285.db2.gz BQKAOLVPWJZFKG-LBPRGKRZSA-N 1 0 335.433 2.820 20 5 EFBDRO O=C(C[NH+](CC1CC1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000115563070 473581988 /nfs/dbraw/zinc/58/19/88/473581988.db2.gz URCBSYGUEKFUMW-UHFFFAOYSA-N 1 0 329.400 2.606 20 5 EFBDRO CCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000178896096 473586466 /nfs/dbraw/zinc/58/64/66/473586466.db2.gz SKLNBRKFBGBXIE-OCCSQVGLSA-N 1 0 337.445 2.676 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000152716634 473591703 /nfs/dbraw/zinc/59/17/03/473591703.db2.gz VKZCNZJUYSVZJL-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153041446 473605697 /nfs/dbraw/zinc/60/56/97/473605697.db2.gz WXIBGTXXXRBAPQ-CHWSQXEVSA-N 1 0 333.388 2.664 20 5 EFBDRO O=C(NCCCn1ccnc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178994566 473606624 /nfs/dbraw/zinc/60/66/24/473606624.db2.gz FWWXPAPECSTCOP-UHFFFAOYSA-N 1 0 343.387 2.556 20 5 EFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000170765718 473606750 /nfs/dbraw/zinc/60/67/50/473606750.db2.gz AFYVEQVYECMHIB-UHFFFAOYSA-N 1 0 349.416 2.762 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000186196386 473613623 /nfs/dbraw/zinc/61/36/23/473613623.db2.gz MZUOURIRKXJWDH-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153295470 473617578 /nfs/dbraw/zinc/61/75/78/473617578.db2.gz SESSTDFOBJCUPF-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000179061389 473620592 /nfs/dbraw/zinc/62/05/92/473620592.db2.gz JUATVLAYNLPFFR-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000172488997 473623032 /nfs/dbraw/zinc/62/30/32/473623032.db2.gz HVJAMEWYSRRENM-MRXNPFEDSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153444852 473625384 /nfs/dbraw/zinc/62/53/84/473625384.db2.gz FZDXERQSNSVIMM-TZMCWYRMSA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153495699 473627875 /nfs/dbraw/zinc/62/78/75/473627875.db2.gz XRUCDESPVLITIV-KDOFPFPSSA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153537059 473628821 /nfs/dbraw/zinc/62/88/21/473628821.db2.gz ASGIUAVXHMFAMR-RDJZCZTQSA-N 1 0 343.427 2.613 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000153700020 473637488 /nfs/dbraw/zinc/63/74/88/473637488.db2.gz FYKZXVDSCPUNJC-CJNGLKHVSA-N 1 0 332.404 2.851 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186298951 473642586 /nfs/dbraw/zinc/64/25/86/473642586.db2.gz AEKUSDYZEFKNTK-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186305380 473643422 /nfs/dbraw/zinc/64/34/22/473643422.db2.gz RWKLMDAZOCBRIW-IAGOWNOFSA-N 1 0 349.431 2.741 20 5 EFBDRO CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000153916454 473650472 /nfs/dbraw/zinc/65/04/72/473650472.db2.gz FWLDGPTZCDFKEK-JTQLQIEISA-N 1 0 334.825 2.503 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153945817 473653303 /nfs/dbraw/zinc/65/33/03/473653303.db2.gz LFTUBCZWMKCTNQ-ZDUSSCGKSA-N 1 0 342.399 2.747 20 5 EFBDRO Cc1ccccc1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179212568 473655592 /nfs/dbraw/zinc/65/55/92/473655592.db2.gz WYTCNKPAKJYMIJ-UHFFFAOYSA-N 1 0 341.411 2.945 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127842444 473655919 /nfs/dbraw/zinc/65/59/19/473655919.db2.gz LNWBBTDGQMBYCB-AWEZNQCLSA-N 1 0 349.431 2.581 20 5 EFBDRO Cc1c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000154025689 473660390 /nfs/dbraw/zinc/66/03/90/473660390.db2.gz ZSMBVZUORZIZHU-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192351074 473672379 /nfs/dbraw/zinc/67/23/79/473672379.db2.gz UFEARVMMNZMQSU-CQSZACIVSA-N 1 0 341.367 2.906 20 5 EFBDRO COC(=O)[C@@H](C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000192379616 473675405 /nfs/dbraw/zinc/67/54/05/473675405.db2.gz MIGHWBMDLYBIGV-CYBMUJFWSA-N 1 0 336.388 2.780 20 5 EFBDRO CSc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000192472972 473683494 /nfs/dbraw/zinc/68/34/94/473683494.db2.gz DEBGNVAJLCJKEZ-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172788261 473684185 /nfs/dbraw/zinc/68/41/85/473684185.db2.gz WCEYTMYGZFDDRW-CYBMUJFWSA-N 1 0 346.431 2.648 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)c1ccco1 ZINC000186524742 473686098 /nfs/dbraw/zinc/68/60/98/473686098.db2.gz PUHPOOMCZNZYEO-DOMZBBRYSA-N 1 0 347.371 2.618 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000172842350 473691950 /nfs/dbraw/zinc/69/19/50/473691950.db2.gz RROREMJECCFTGA-KXKDPZRNSA-N 1 0 331.416 2.941 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172842765 473692123 /nfs/dbraw/zinc/69/21/23/473692123.db2.gz ZUXSFTFIUGQBSR-AWEZNQCLSA-N 1 0 348.447 2.607 20 5 EFBDRO COc1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192601582 473695481 /nfs/dbraw/zinc/69/54/81/473695481.db2.gz IFRQOVSJQUQRFY-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192629768 473697985 /nfs/dbraw/zinc/69/79/85/473697985.db2.gz JLGBTXJUOUJHEK-XJKSGUPXSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192632136 473698018 /nfs/dbraw/zinc/69/80/18/473698018.db2.gz NFFXHKXVLGHQKD-XJKSGUPXSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186622016 473703618 /nfs/dbraw/zinc/70/36/18/473703618.db2.gz RUOXQIQNPCQBRX-UHFFFAOYSA-N 1 0 346.391 2.614 20 5 EFBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000274032203 473710617 /nfs/dbraw/zinc/71/06/17/473710617.db2.gz XBJNCICEAPEVSD-UHFFFAOYSA-N 1 0 342.403 2.659 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000179710346 473712443 /nfs/dbraw/zinc/71/24/43/473712443.db2.gz FYCRJVOMQXFXPG-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](OCc3ccncc3)C2)c(F)c1 ZINC000287624838 473715883 /nfs/dbraw/zinc/71/58/83/473715883.db2.gz FJLFDCXWSZXKCT-MRXNPFEDSA-N 1 0 331.347 2.920 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287630139 473717049 /nfs/dbraw/zinc/71/70/49/473717049.db2.gz QEYOINQNNLOMHW-ZFWWWQNUSA-N 1 0 332.404 2.994 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000269173737 473718670 /nfs/dbraw/zinc/71/86/70/473718670.db2.gz ZZJIVRNVUHDECT-CQSZACIVSA-N 1 0 335.404 2.736 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173004046 473724342 /nfs/dbraw/zinc/72/43/42/473724342.db2.gz ZVTGPGAUZHADQI-KRWDZBQOSA-N 1 0 339.395 2.657 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000269194722 473726866 /nfs/dbraw/zinc/72/68/66/473726866.db2.gz ZJFXGFQBEQKFFD-SECBINFHSA-N 1 0 345.321 2.813 20 5 EFBDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793437 473727945 /nfs/dbraw/zinc/72/79/45/473727945.db2.gz JOVUCLYWZPOKAX-MSOLQXFVSA-N 1 0 346.431 2.919 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262880743 473733159 /nfs/dbraw/zinc/73/31/59/473733159.db2.gz NJLAKCWMZFIMHI-JQWIXIFHSA-N 1 0 346.412 2.589 20 5 EFBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179822698 473735382 /nfs/dbraw/zinc/73/53/82/473735382.db2.gz XYZOJICTJADOGC-UHFFFAOYSA-N 1 0 343.383 2.813 20 5 EFBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179824360 473735877 /nfs/dbraw/zinc/73/58/77/473735877.db2.gz WENUARRUSPQJHW-UHFFFAOYSA-N 1 0 343.383 2.813 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269225363 473738785 /nfs/dbraw/zinc/73/87/85/473738785.db2.gz UIUHWMMAJLDSQU-RWMBFGLXSA-N 1 0 337.445 2.580 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000179838529 473739419 /nfs/dbraw/zinc/73/94/19/473739419.db2.gz RAIULMFNXMFZPP-JTQLQIEISA-N 1 0 341.795 2.591 20 5 EFBDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281497119 473740735 /nfs/dbraw/zinc/74/07/35/473740735.db2.gz UDPSNRASAIYQRX-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCOCC1 ZINC000179851006 473742894 /nfs/dbraw/zinc/74/28/94/473742894.db2.gz KXZSDMVVYWRNQN-CYBMUJFWSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000179865775 473745087 /nfs/dbraw/zinc/74/50/87/473745087.db2.gz MJOAWYBURWBOKJ-LLVKDONJSA-N 1 0 332.360 2.550 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173114496 473748525 /nfs/dbraw/zinc/74/85/25/473748525.db2.gz DMNBDOYYLHSFDI-MRXNPFEDSA-N 1 0 331.416 2.614 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274176565 473752900 /nfs/dbraw/zinc/75/29/00/473752900.db2.gz NWWPLCJPSWVVPG-MRXNPFEDSA-N 1 0 331.397 2.635 20 5 EFBDRO CCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179918492 473755203 /nfs/dbraw/zinc/75/52/03/473755203.db2.gz LNKGBNNOPFHXQP-FNORWQNLSA-N 1 0 331.416 2.846 20 5 EFBDRO O=C(NCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000193014162 473761082 /nfs/dbraw/zinc/76/10/82/473761082.db2.gz WDMOSNHPXCFKMQ-QGZVFWFLSA-N 1 0 331.416 2.868 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000287826260 473771426 /nfs/dbraw/zinc/77/14/26/473771426.db2.gz VKZHIVWXNSAPMJ-GXFFZTMASA-N 1 0 334.294 2.803 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000269320001 473772961 /nfs/dbraw/zinc/77/29/61/473772961.db2.gz AZRROSLXIKBXBF-UHFFFAOYSA-N 1 0 345.403 2.650 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180006818 473775179 /nfs/dbraw/zinc/77/51/79/473775179.db2.gz VDSCKDKGWKFHBD-UHFFFAOYSA-N 1 0 345.346 2.514 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)CCc1ccccc1 ZINC000193393587 473784924 /nfs/dbraw/zinc/78/49/24/473784924.db2.gz AUWVMJYRRHGQDA-UHFFFAOYSA-N 1 0 341.411 2.728 20 5 EFBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180063242 473788842 /nfs/dbraw/zinc/78/88/42/473788842.db2.gz IKYCAVAFEXDFNU-CYBMUJFWSA-N 1 0 343.383 2.942 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000269369081 473789628 /nfs/dbraw/zinc/78/96/28/473789628.db2.gz LOBYMIFRMAFPJD-UHFFFAOYSA-N 1 0 331.376 2.755 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000173279222 473792422 /nfs/dbraw/zinc/79/24/22/473792422.db2.gz HSFOEPZDDLPFLB-ZDUSSCGKSA-N 1 0 335.379 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2nonc21 ZINC000269417026 473805219 /nfs/dbraw/zinc/80/52/19/473805219.db2.gz KTQFOBHTBHWQTJ-YPMHNXCESA-N 1 0 343.387 2.584 20 5 EFBDRO CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246265511 473810277 /nfs/dbraw/zinc/81/02/77/473810277.db2.gz VFNNZCDCOITMMT-KGLIPLIRSA-N 1 0 335.404 2.589 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274415418 473813432 /nfs/dbraw/zinc/81/34/32/473813432.db2.gz CPDDRJIKCAWFIF-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173352728 473813763 /nfs/dbraw/zinc/81/37/63/473813763.db2.gz MSSLWYFTOFBHGF-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173366965 473817666 /nfs/dbraw/zinc/81/76/66/473817666.db2.gz IAOKQLCQLLNXIO-AWEZNQCLSA-N 1 0 327.384 2.952 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194012825 473827224 /nfs/dbraw/zinc/82/72/24/473827224.db2.gz YTJKVJJJSSLDHQ-CYBMUJFWSA-N 1 0 336.392 2.667 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000194066376 473836883 /nfs/dbraw/zinc/83/68/83/473836883.db2.gz YLBYNYSZTYMVPE-WBMJQRKESA-N 1 0 345.359 2.783 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000288085845 473842984 /nfs/dbraw/zinc/84/29/84/473842984.db2.gz GDNKUONBNQERMQ-JSGCOSHPSA-N 1 0 329.356 2.581 20 5 EFBDRO Cc1cc(NCC(C)(C)OCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288095797 473847726 /nfs/dbraw/zinc/84/77/26/473847726.db2.gz AJNNINWLAWDWAR-UHFFFAOYSA-N 1 0 346.387 2.560 20 5 EFBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263789228 473849580 /nfs/dbraw/zinc/84/95/80/473849580.db2.gz HIAWYNYATYYURB-NSHDSACASA-N 1 0 333.413 2.938 20 5 EFBDRO Cc1c(CC(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000269655301 473853790 /nfs/dbraw/zinc/85/37/90/473853790.db2.gz UZDFDOGYHYQKEU-UHFFFAOYSA-N 1 0 345.443 2.923 20 5 EFBDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000269684512 473859542 /nfs/dbraw/zinc/85/95/42/473859542.db2.gz NKESBRMIDWUFBO-OAHLLOKOSA-N 1 0 347.415 2.627 20 5 EFBDRO Cc1nc2sccn2c1CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686265 473860359 /nfs/dbraw/zinc/86/03/59/473860359.db2.gz ZYCYUIUESXTUIM-OAHLLOKOSA-N 1 0 346.412 2.778 20 5 EFBDRO CS[C@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246439224 473863290 /nfs/dbraw/zinc/86/32/90/473863290.db2.gz DCLSTIGCQLBBOY-HOTGVXAUSA-N 1 0 349.456 2.918 20 5 EFBDRO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180430056 473875698 /nfs/dbraw/zinc/87/56/98/473875698.db2.gz NAGUNMWGQDEXLJ-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000173590895 473884959 /nfs/dbraw/zinc/88/49/59/473884959.db2.gz YNJYAWPTCVCRCU-LBPRGKRZSA-N 1 0 325.434 2.769 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263870181 473884890 /nfs/dbraw/zinc/88/48/90/473884890.db2.gz ZPFZQNMZEQIORK-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000194416208 473895112 /nfs/dbraw/zinc/89/51/12/473895112.db2.gz AMZLSDDFBQMMFW-UHFFFAOYSA-N 1 0 331.338 2.754 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000281950927 473896311 /nfs/dbraw/zinc/89/63/11/473896311.db2.gz MEOUYDCOACCBRD-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCc2sccc2C1 ZINC000194479757 473904613 /nfs/dbraw/zinc/90/46/13/473904613.db2.gz MVRWFQWWNDLASJ-UHFFFAOYSA-N 1 0 345.424 2.753 20 5 EFBDRO CC[C@H]([NH2+]CCCOCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000274659323 473912708 /nfs/dbraw/zinc/91/27/08/473912708.db2.gz MXWJMIXBTDUBKI-KRWDZBQOSA-N 1 0 340.420 2.705 20 5 EFBDRO C[N@H+]1C[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000194536620 473913403 /nfs/dbraw/zinc/91/34/03/473913403.db2.gz XCUDEUULHITHCM-OKILXGFUSA-N 1 0 344.440 2.712 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000288336971 473913572 /nfs/dbraw/zinc/91/35/72/473913572.db2.gz BBYVDZOXWAVXPB-UHFFFAOYSA-N 1 0 339.193 2.734 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000282012607 473918095 /nfs/dbraw/zinc/91/80/95/473918095.db2.gz XBZKPXSIXLOVRO-UHFFFAOYSA-N 1 0 332.326 2.931 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)Cc1ccsc1 ZINC000187790512 473922357 /nfs/dbraw/zinc/92/23/57/473922357.db2.gz RHOPQXZDESCLAG-ZDUSSCGKSA-N 1 0 335.429 2.771 20 5 EFBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)O1 ZINC000274700011 473925278 /nfs/dbraw/zinc/92/52/78/473925278.db2.gz UDPKCKGTIJBKNI-RYUDHWBXSA-N 1 0 340.399 2.617 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288393295 473929519 /nfs/dbraw/zinc/92/95/19/473929519.db2.gz MMBAAWLXPYBMCU-OCCSQVGLSA-N 1 0 342.399 2.775 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778723 473929738 /nfs/dbraw/zinc/92/97/38/473929738.db2.gz YQLLWGQLCFSILZ-GDBMZVCRSA-N 1 0 338.404 2.608 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000288398031 473930706 /nfs/dbraw/zinc/93/07/06/473930706.db2.gz MROBBNGFUUZJGL-UHFFFAOYSA-N 1 0 331.397 2.613 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282056608 473931861 /nfs/dbraw/zinc/93/18/61/473931861.db2.gz MIKQQWMGNFNEOR-MRXNPFEDSA-N 1 0 347.415 2.781 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282056604 473932078 /nfs/dbraw/zinc/93/20/78/473932078.db2.gz MIKQQWMGNFNEOR-INIZCTEOSA-N 1 0 347.415 2.781 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000269989491 473944653 /nfs/dbraw/zinc/94/46/53/473944653.db2.gz GDVHZQUGNGZROX-YDHLFZDLSA-N 1 0 329.404 2.785 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000288462660 473949828 /nfs/dbraw/zinc/94/98/28/473949828.db2.gz QBLFDIUCUUYEIF-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000270003018 473950587 /nfs/dbraw/zinc/95/05/87/473950587.db2.gz YRJPDLIPHOIMPG-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000173916461 473957165 /nfs/dbraw/zinc/95/71/65/473957165.db2.gz QMYYHGMTTVDRHM-CABCVRRESA-N 1 0 336.436 2.847 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194814524 473957859 /nfs/dbraw/zinc/95/78/59/473957859.db2.gz UUYDGJPJLUWPOY-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000173949441 473963028 /nfs/dbraw/zinc/96/30/28/473963028.db2.gz GQXUBNLSBHNTSM-UHFFFAOYSA-N 1 0 347.459 2.980 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288518628 473967728 /nfs/dbraw/zinc/96/77/28/473967728.db2.gz TWFNBTFPKSFDSS-LBPRGKRZSA-N 1 0 345.403 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C4CCCC4)CC3)nc2c1 ZINC000274812891 473970145 /nfs/dbraw/zinc/97/01/45/473970145.db2.gz IDRZHDSXPMKZOK-UHFFFAOYSA-N 1 0 329.404 2.926 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180809172 473970644 /nfs/dbraw/zinc/97/06/44/473970644.db2.gz CQFBUJGEYPKGAM-AWEZNQCLSA-N 1 0 328.434 2.849 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000270060355 473972851 /nfs/dbraw/zinc/97/28/51/473972851.db2.gz WZHXAYYNKLAMOK-BPQIPLTHSA-N 1 0 347.459 2.616 20 5 EFBDRO CCn1c(CC[NH3+])nnc1Sc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288538489 473974626 /nfs/dbraw/zinc/97/46/26/473974626.db2.gz UYBZZZLQOCMHOT-UHFFFAOYSA-N 1 0 327.797 2.512 20 5 EFBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194941754 473980464 /nfs/dbraw/zinc/98/04/64/473980464.db2.gz AKSXOLQMXVMVNW-KRWDZBQOSA-N 1 0 335.404 2.814 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270079250 473982365 /nfs/dbraw/zinc/98/23/65/473982365.db2.gz IIHCRNGMLHLVEE-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282221111 473986107 /nfs/dbraw/zinc/98/61/07/473986107.db2.gz YSBZBZXDVUTQHC-CZUORRHYSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288582854 473989475 /nfs/dbraw/zinc/98/94/75/473989475.db2.gz XNUFRDUVDSQIQN-NEPJUHHUSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000180966128 473995688 /nfs/dbraw/zinc/99/56/88/473995688.db2.gz JACMPQDBDVJDQR-ZDUSSCGKSA-N 1 0 339.399 2.728 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183589 474002095 /nfs/dbraw/zinc/00/20/95/474002095.db2.gz DIYOVMYVOKMHJF-HUUCEWRRSA-N 1 0 346.431 2.783 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181077450 474002546 /nfs/dbraw/zinc/00/25/46/474002546.db2.gz XRSOQONSOSTACA-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188182816 474011859 /nfs/dbraw/zinc/01/18/59/474011859.db2.gz QGDCEEXBXXUYIU-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000246951122 474013619 /nfs/dbraw/zinc/01/36/19/474013619.db2.gz XEJJTLQDEIPKTQ-VBQJREDUSA-N 1 0 347.415 2.731 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181182534 474014416 /nfs/dbraw/zinc/01/44/16/474014416.db2.gz LBANDRPVKGPJLM-HOCLYGCPSA-N 1 0 330.388 2.549 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264512122 474018186 /nfs/dbraw/zinc/01/81/86/474018186.db2.gz TVCXMWKKEYYZMP-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000288712761 474027896 /nfs/dbraw/zinc/02/78/96/474027896.db2.gz ZIFPJYONNFBUDT-UHFFFAOYSA-N 1 0 344.415 2.610 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OCC ZINC000181385259 474031443 /nfs/dbraw/zinc/03/14/43/474031443.db2.gz FCJTYIUSJVUEMV-ZDUSSCGKSA-N 1 0 348.403 2.940 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000181469798 474039315 /nfs/dbraw/zinc/03/93/15/474039315.db2.gz NQUAAWUHHJWHNB-HNNXBMFYSA-N 1 0 337.420 2.619 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270234688 474039488 /nfs/dbraw/zinc/03/94/88/474039488.db2.gz OGPYBWXNQVRHAJ-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247028243 474042151 /nfs/dbraw/zinc/04/21/51/474042151.db2.gz YHRCGCCGKKJCKH-HNAYVOBHSA-N 1 0 345.443 2.922 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(O)c1 ZINC000181506631 474042456 /nfs/dbraw/zinc/04/24/56/474042456.db2.gz YHASYKJCZGYXPO-GFCCVEGCSA-N 1 0 341.367 2.540 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181545335 474046377 /nfs/dbraw/zinc/04/63/77/474046377.db2.gz SGROEXFFDWIEPA-NEPJUHHUSA-N 1 0 329.356 2.978 20 5 EFBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543096 474047098 /nfs/dbraw/zinc/04/70/98/474047098.db2.gz VLOFWXSQCQDFMV-HOCLYGCPSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543116 474047485 /nfs/dbraw/zinc/04/74/85/474047485.db2.gz VLOFWXSQCQDFMV-ZBFHGGJFSA-N 1 0 345.443 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)C3CCCCC3)n2)cc1 ZINC000264589508 474050009 /nfs/dbraw/zinc/05/00/09/474050009.db2.gz AKSBYEOVKURNIN-UHFFFAOYSA-N 1 0 346.387 2.772 20 5 EFBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639280 474054341 /nfs/dbraw/zinc/05/43/41/474054341.db2.gz BOGQOMFQJJAHQY-ZIAGYGMSSA-N 1 0 331.416 2.978 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264614374 474060492 /nfs/dbraw/zinc/06/04/92/474060492.db2.gz QGULCVOFIJBOGH-KRWDZBQOSA-N 1 0 333.432 2.924 20 5 EFBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000247094793 474063475 /nfs/dbraw/zinc/06/34/75/474063475.db2.gz UNDJXWVKOKKOSI-UONOGXRCSA-N 1 0 335.404 2.589 20 5 EFBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000264640665 474069871 /nfs/dbraw/zinc/06/98/71/474069871.db2.gz VNYYMLROJMBZGL-AWEZNQCLSA-N 1 0 345.399 2.665 20 5 EFBDRO COc1cccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195450773 474077015 /nfs/dbraw/zinc/07/70/15/474077015.db2.gz WPDOHACISVXPSF-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282470745 474078400 /nfs/dbraw/zinc/07/84/00/474078400.db2.gz NSTXDTVWGYFEBD-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@@H](NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000282474254 474079483 /nfs/dbraw/zinc/07/94/83/474079483.db2.gz OBHPAAGXIWBGFF-OAHLLOKOSA-N 1 0 341.411 2.947 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275141879 474082486 /nfs/dbraw/zinc/08/24/86/474082486.db2.gz VLXKHNFUHITFRM-GHMZBOCLSA-N 1 0 345.321 2.656 20 5 EFBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000182048721 474089033 /nfs/dbraw/zinc/08/90/33/474089033.db2.gz LTQIWHTTWBIHTA-SFHVURJKSA-N 1 0 345.399 2.752 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247265320 474103382 /nfs/dbraw/zinc/10/33/82/474103382.db2.gz FGEHPMZTDFKWJW-RHSMWYFYSA-N 1 0 348.447 2.586 20 5 EFBDRO CCCC[N@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000182155727 474111547 /nfs/dbraw/zinc/11/15/47/474111547.db2.gz HMQBJXNQJZGTSR-UHFFFAOYSA-N 1 0 334.376 2.629 20 5 EFBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182165033 474113289 /nfs/dbraw/zinc/11/32/89/474113289.db2.gz HQMRLWPMASTTGT-CJNGLKHVSA-N 1 0 346.383 2.733 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000264750817 474114528 /nfs/dbraw/zinc/11/45/28/474114528.db2.gz LHPMKCZATNIHQA-UHFFFAOYSA-N 1 0 333.413 2.977 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282571274 474115024 /nfs/dbraw/zinc/11/50/24/474115024.db2.gz AJVVGNREAUDGEI-NSHDSACASA-N 1 0 340.399 2.556 20 5 EFBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247312142 474115060 /nfs/dbraw/zinc/11/50/60/474115060.db2.gz RBDNRCOIIMKRGZ-MCIONIFRSA-N 1 0 348.447 2.544 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000198857070 474120630 /nfs/dbraw/zinc/12/06/30/474120630.db2.gz FDUNHMJAEOCZIJ-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247343797 474124987 /nfs/dbraw/zinc/12/49/87/474124987.db2.gz NRGFSWQEBHUOMS-YVEFUNNKSA-N 1 0 344.371 2.818 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000264779446 474125315 /nfs/dbraw/zinc/12/53/15/474125315.db2.gz BKYKPIOYSHKODR-UHFFFAOYSA-N 1 0 334.420 2.609 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000175019197 474130906 /nfs/dbraw/zinc/13/09/06/474130906.db2.gz WLHMTILFSHFKCM-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275299836 474135877 /nfs/dbraw/zinc/13/58/77/474135877.db2.gz ZIBQVCUJCQBPHX-OCCSQVGLSA-N 1 0 341.795 2.734 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000182270395 474137901 /nfs/dbraw/zinc/13/79/01/474137901.db2.gz JUUAMNOGLOTGNM-JKSUJKDBSA-N 1 0 343.383 2.567 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000175056536 474139291 /nfs/dbraw/zinc/13/92/91/474139291.db2.gz HRYCZYKGBQDAOM-UHFFFAOYSA-N 1 0 346.362 2.987 20 5 EFBDRO CCC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000264850536 474148597 /nfs/dbraw/zinc/14/85/97/474148597.db2.gz LNPLCXXXOIBGLD-KRWDZBQOSA-N 1 0 332.404 2.636 20 5 EFBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000188670853 474162190 /nfs/dbraw/zinc/16/21/90/474162190.db2.gz BZMNFOBMGPNGNY-UHFFFAOYSA-N 1 0 330.340 2.898 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000264945487 474162432 /nfs/dbraw/zinc/16/24/32/474162432.db2.gz JLJXNUPCSFSPGJ-UHFFFAOYSA-N 1 0 348.447 2.700 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247501834 474166539 /nfs/dbraw/zinc/16/65/39/474166539.db2.gz UZQMPAZZJYTFGO-QMTHXVAHSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000247520669 474171476 /nfs/dbraw/zinc/17/14/76/474171476.db2.gz WKSJSZZNUJTDPV-BLLLJJGKSA-N 1 0 346.431 2.581 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275402933 474173401 /nfs/dbraw/zinc/17/34/01/474173401.db2.gz BNGUYDRMICIJAI-CQSZACIVSA-N 1 0 335.407 2.918 20 5 EFBDRO COCCCn1nccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282734914 474173753 /nfs/dbraw/zinc/17/37/53/474173753.db2.gz SVFYUDQQDBMSQM-AWEZNQCLSA-N 1 0 332.404 2.987 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000289179521 474174041 /nfs/dbraw/zinc/17/40/41/474174041.db2.gz IGALKDGRRPPPPI-INIZCTEOSA-N 1 0 335.429 2.532 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000270601117 474185829 /nfs/dbraw/zinc/18/58/29/474185829.db2.gz ARVNIZFQUSCLNG-WBMJQRKESA-N 1 0 338.404 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000275442443 474186487 /nfs/dbraw/zinc/18/64/87/474186487.db2.gz KMPSVKDJOMOJKH-HNNXBMFYSA-N 1 0 344.371 2.961 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1COC[C@H]1O ZINC000289236819 474192443 /nfs/dbraw/zinc/19/24/43/474192443.db2.gz DJXRXRIRYSZKRJ-HUUCEWRRSA-N 1 0 334.397 2.515 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000182551164 474203289 /nfs/dbraw/zinc/20/32/89/474203289.db2.gz SFDFCKPLGSFGPX-NSHDSACASA-N 1 0 340.426 2.781 20 5 EFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCOCC1 ZINC000188841064 474213474 /nfs/dbraw/zinc/21/34/74/474213474.db2.gz HLPGDYYGECEGGU-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)C1CCOCC1 ZINC000289299568 474214514 /nfs/dbraw/zinc/21/45/14/474214514.db2.gz BFUXJEVALRGMKM-UHFFFAOYSA-N 1 0 349.214 2.875 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000282852176 474219164 /nfs/dbraw/zinc/21/91/64/474219164.db2.gz SHCLTTQQUCXHEK-CQSZACIVSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)n1c(Sc2ncccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265454815 474221944 /nfs/dbraw/zinc/22/19/44/474221944.db2.gz LMJNCRDBCCNXIB-LLVKDONJSA-N 1 0 348.432 2.780 20 5 EFBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000275533196 474224324 /nfs/dbraw/zinc/22/43/24/474224324.db2.gz XKAVHPBRUTZRJC-MRXNPFEDSA-N 1 0 345.399 2.885 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000265473630 474228140 /nfs/dbraw/zinc/22/81/40/474228140.db2.gz QDTAILCJNVPKOG-SNVBAGLBSA-N 1 0 346.416 2.534 20 5 EFBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1C1CC[NH2+]CC1 ZINC000265479638 474229570 /nfs/dbraw/zinc/22/95/70/474229570.db2.gz RZCLWIRENDDSRD-UHFFFAOYSA-N 1 0 348.432 2.780 20 5 EFBDRO COc1cccc2c1CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000182674332 474229754 /nfs/dbraw/zinc/22/97/54/474229754.db2.gz ZPMOXFLXJGYSOY-KRWDZBQOSA-N 1 0 328.368 2.695 20 5 EFBDRO COCCCn1nccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000282900824 474235559 /nfs/dbraw/zinc/23/55/59/474235559.db2.gz YUXZGJAROBDBQC-UHFFFAOYSA-N 1 0 344.415 2.992 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182695462 474235767 /nfs/dbraw/zinc/23/57/67/474235767.db2.gz PHSCTFFULSVICE-CYBMUJFWSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000182711014 474239525 /nfs/dbraw/zinc/23/95/25/474239525.db2.gz QLPKNAUEVGRJKP-GHMZBOCLSA-N 1 0 349.387 2.676 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000188962279 474246918 /nfs/dbraw/zinc/24/69/18/474246918.db2.gz JVQGIEPQLUMRKU-KGLIPLIRSA-N 1 0 335.404 2.514 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000282936426 474247255 /nfs/dbraw/zinc/24/72/55/474247255.db2.gz IJSZIKFHMWMVEF-INIZCTEOSA-N 1 0 340.383 2.991 20 5 EFBDRO CCCC[N@H+](CCCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289382484 474247424 /nfs/dbraw/zinc/24/74/24/474247424.db2.gz CPYAYNRCEJAXQM-UHFFFAOYSA-N 1 0 346.431 2.980 20 5 EFBDRO COc1ccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000189027290 474269394 /nfs/dbraw/zinc/26/93/94/474269394.db2.gz JAGPCUDHCPTQKM-INIZCTEOSA-N 1 0 330.384 2.605 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248155981 474272092 /nfs/dbraw/zinc/27/20/92/474272092.db2.gz RKEFNUFJYURJIE-KIBVIPRGSA-N 1 0 329.400 2.551 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccncc1 ZINC000275684023 474279546 /nfs/dbraw/zinc/27/95/46/474279546.db2.gz ZNHCQTFBVYHDGU-UHFFFAOYSA-N 1 0 346.362 2.980 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236762098 474285978 /nfs/dbraw/zinc/28/59/78/474285978.db2.gz NCWLXVMPWVWVSF-WFASDCNBSA-N 1 0 339.461 2.907 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000182924197 474288437 /nfs/dbraw/zinc/28/84/37/474288437.db2.gz BNWFSRMOWOCFEY-QGZVFWFLSA-N 1 0 343.383 2.555 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236836848 474292798 /nfs/dbraw/zinc/29/27/98/474292798.db2.gz NCWLXVMPWVWVSF-IUODEOHRSA-N 1 0 339.461 2.907 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2nc(C)ccc2[N+](=O)[O-])cc1 ZINC000270863293 474299362 /nfs/dbraw/zinc/29/93/62/474299362.db2.gz AEIVMYAKFZZQCR-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000265731279 474314194 /nfs/dbraw/zinc/31/41/94/474314194.db2.gz BHNCAPUCAGAMMI-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000289540485 474314491 /nfs/dbraw/zinc/31/44/91/474314491.db2.gz DNMNQBJUJXDWKQ-GXFFZTMASA-N 1 0 338.795 2.806 20 5 EFBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289577390 474330949 /nfs/dbraw/zinc/33/09/49/474330949.db2.gz QYRBRPPKTSXUOV-OKILXGFUSA-N 1 0 341.367 2.988 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000248463970 474333884 /nfs/dbraw/zinc/33/38/84/474333884.db2.gz QVRHXRUKZTYMDT-QZTJIDSGSA-N 1 0 346.358 2.921 20 5 EFBDRO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265788960 474338002 /nfs/dbraw/zinc/33/80/02/474338002.db2.gz LIQWVNXGMKGYPL-UHFFFAOYSA-N 1 0 345.443 2.863 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265828748 474352229 /nfs/dbraw/zinc/35/22/29/474352229.db2.gz CISMBPSHRWZYJM-UHFFFAOYSA-N 1 0 334.397 2.630 20 5 EFBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248545018 474352239 /nfs/dbraw/zinc/35/22/39/474352239.db2.gz DGUUDFIJOFYVJY-BFQNTYOBSA-N 1 0 337.395 2.636 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237190763 474353199 /nfs/dbraw/zinc/35/31/99/474353199.db2.gz JABLMXABCAWTTQ-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248566411 474360171 /nfs/dbraw/zinc/36/01/71/474360171.db2.gz KWWZNUAORRQJNR-TZMCWYRMSA-N 1 0 337.395 2.828 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289667846 474369127 /nfs/dbraw/zinc/36/91/27/474369127.db2.gz GZQNOKSSPFAYOK-RDJZCZTQSA-N 1 0 347.415 2.813 20 5 EFBDRO O=C(CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289676729 474373676 /nfs/dbraw/zinc/37/36/76/474373676.db2.gz VBMHHFWHMBGCCB-WBVHZDCISA-N 1 0 345.399 2.567 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275976271 474377285 /nfs/dbraw/zinc/37/72/85/474377285.db2.gz MBOQVVFASXOTEL-MRXNPFEDSA-N 1 0 344.415 2.588 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]12 ZINC000248615913 474378526 /nfs/dbraw/zinc/37/85/26/474378526.db2.gz LVSHNRXXSQYADL-JIMOISOXSA-N 1 0 331.397 2.619 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265901278 474379193 /nfs/dbraw/zinc/37/91/93/474379193.db2.gz UVDCESFTASZSSZ-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000189398351 474384686 /nfs/dbraw/zinc/38/46/86/474384686.db2.gz IBFVSQWIPFBUMB-IIAWOOMASA-N 1 0 333.432 2.762 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CCOCC3)o2)cc1 ZINC000276005362 474384697 /nfs/dbraw/zinc/38/46/97/474384697.db2.gz PDOZQYHYBIOYEB-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265936012 474392770 /nfs/dbraw/zinc/39/27/70/474392770.db2.gz BBEXOLBUSUJIJG-AWEZNQCLSA-N 1 0 349.456 2.631 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237428932 474401952 /nfs/dbraw/zinc/40/19/52/474401952.db2.gz VXVHJYHWVXYLMC-ZYHUDNBSSA-N 1 0 346.412 2.670 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189453507 474403107 /nfs/dbraw/zinc/40/31/07/474403107.db2.gz AQHIBSVROREJBQ-AWEZNQCLSA-N 1 0 348.447 2.877 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1N1CCCC1 ZINC000176198319 474407057 /nfs/dbraw/zinc/40/70/57/474407057.db2.gz GPALGAJKMRMUTG-UHFFFAOYSA-N 1 0 329.404 2.524 20 5 EFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289759862 474413519 /nfs/dbraw/zinc/41/35/19/474413519.db2.gz KOUFFTBOPJRWQX-CYBMUJFWSA-N 1 0 335.404 2.813 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000176246185 474419398 /nfs/dbraw/zinc/41/93/98/474419398.db2.gz OSVYXPAMTUAPEL-UHFFFAOYSA-N 1 0 340.387 2.547 20 5 EFBDRO CC1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]2CCCO2)CC1 ZINC000176267048 474424915 /nfs/dbraw/zinc/42/49/15/474424915.db2.gz UPNQEMRWISLJMG-GPANFISMSA-N 1 0 336.436 2.851 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237540908 474425678 /nfs/dbraw/zinc/42/56/78/474425678.db2.gz WESKDFGBXAALEO-YWPYICTPSA-N 1 0 337.445 2.709 20 5 EFBDRO COC(=O)[C@H]1CC12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000271179862 474426290 /nfs/dbraw/zinc/42/62/90/474426290.db2.gz KRTPQYKWOCBYRA-CSPWOOARSA-N 1 0 330.384 2.883 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000276140447 474430620 /nfs/dbraw/zinc/43/06/20/474430620.db2.gz BAJIFQMNZGFGKM-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237588944 474435381 /nfs/dbraw/zinc/43/53/81/474435381.db2.gz MFVMIMPBBNCUNG-WDEREUQCSA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCC2 ZINC000183871241 474439630 /nfs/dbraw/zinc/43/96/30/474439630.db2.gz KRPOJGZMOHXMES-CYBMUJFWSA-N 1 0 329.404 2.634 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC000237699016 474460586 /nfs/dbraw/zinc/46/05/86/474460586.db2.gz YMIJBUNWKKVDEP-ACJLOTCBSA-N 1 0 339.395 2.816 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000289862566 474460746 /nfs/dbraw/zinc/46/07/46/474460746.db2.gz QPNFPKUIEVXSDW-ZFWWWQNUSA-N 1 0 349.431 2.671 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000266728906 474463536 /nfs/dbraw/zinc/46/35/36/474463536.db2.gz JUMMUUHTOCPUBL-HUUCEWRRSA-N 1 0 348.447 2.728 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000289873397 474464698 /nfs/dbraw/zinc/46/46/98/474464698.db2.gz VWCHHHWBNGWGPD-ZFWWWQNUSA-N 1 0 349.431 2.671 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1[NH+](C)C ZINC000271290399 474477653 /nfs/dbraw/zinc/47/76/53/474477653.db2.gz DYASYXPOHBEWFO-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH+](C)C ZINC000271290400 474477961 /nfs/dbraw/zinc/47/79/61/474477961.db2.gz DYASYXPOHBEWFO-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266779064 474479627 /nfs/dbraw/zinc/47/96/27/474479627.db2.gz CEZUNCKNFIRGHJ-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)nc2c1 ZINC000289908800 474481157 /nfs/dbraw/zinc/48/11/57/474481157.db2.gz XUUOEEYLUXFZKE-PRHODGIISA-N 1 0 344.293 2.671 20 5 EFBDRO COc1cc(CN(CCO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184199092 474484669 /nfs/dbraw/zinc/48/46/69/474484669.db2.gz NABNWKPBHJPUKM-UHFFFAOYSA-N 1 0 334.347 2.737 20 5 EFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237837556 474485866 /nfs/dbraw/zinc/48/58/66/474485866.db2.gz HNXFCVBLPDJGBY-JTQLQIEISA-N 1 0 345.321 2.733 20 5 EFBDRO CCCN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2C1 ZINC000608949741 480106970 /nfs/dbraw/zinc/10/69/70/480106970.db2.gz UCQAXJHSTSTFTI-UHFFFAOYSA-N 1 0 328.372 2.911 20 5 EFBDRO COc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1OC ZINC000289943268 474496134 /nfs/dbraw/zinc/49/61/34/474496134.db2.gz XHZCSWIMUUJZNM-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237908315 474500601 /nfs/dbraw/zinc/50/06/01/474500601.db2.gz VBVOKSHXOAQZHS-AWEZNQCLSA-N 1 0 325.796 2.886 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000237907558 474500681 /nfs/dbraw/zinc/50/06/81/474500681.db2.gz MZZLBCMNQAWXBS-ZDUSSCGKSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000184354299 474504864 /nfs/dbraw/zinc/50/48/64/474504864.db2.gz MQLRSFMNPQHNBG-BZPMIXESSA-N 1 0 335.379 2.533 20 5 EFBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000237944985 474509835 /nfs/dbraw/zinc/50/98/35/474509835.db2.gz MNNVWNUSURPYAO-UHFFFAOYSA-N 1 0 325.368 2.664 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cs1 ZINC000237972481 474514495 /nfs/dbraw/zinc/51/44/95/474514495.db2.gz FQTYAKGPYYUIJE-UHFFFAOYSA-N 1 0 339.461 2.781 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000266900325 474522823 /nfs/dbraw/zinc/52/28/23/474522823.db2.gz HYLCMAPAVDYIQW-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276401308 474528634 /nfs/dbraw/zinc/52/86/34/474528634.db2.gz KQERZQKJDAVUEY-ZDUSSCGKSA-N 1 0 332.404 2.984 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000189992119 474529364 /nfs/dbraw/zinc/52/93/64/474529364.db2.gz AQKIQGVULGVBQQ-QWHCGFSZSA-N 1 0 349.431 2.762 20 5 EFBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000238083059 474532794 /nfs/dbraw/zinc/53/27/94/474532794.db2.gz KHSWIEPHSCJFKA-SFHVURJKSA-N 1 0 341.411 2.604 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000276417389 474535230 /nfs/dbraw/zinc/53/52/30/474535230.db2.gz NHSRWSQVNZLPHM-UHFFFAOYSA-N 1 0 332.404 2.914 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1CO ZINC000249148108 474538134 /nfs/dbraw/zinc/53/81/34/474538134.db2.gz ZQGDABJQHRZPBA-NHYWBVRUSA-N 1 0 333.413 2.921 20 5 EFBDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000190025564 474538610 /nfs/dbraw/zinc/53/86/10/474538610.db2.gz WWRRDICVTAUFSD-MRXNPFEDSA-N 1 0 338.452 2.881 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000283984910 474542133 /nfs/dbraw/zinc/54/21/33/474542133.db2.gz HCOMBOVUSLAOAQ-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184547194 474544253 /nfs/dbraw/zinc/54/42/53/474544253.db2.gz VLOXXJARESBMAI-CYBMUJFWSA-N 1 0 336.344 2.553 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271447667 474551509 /nfs/dbraw/zinc/55/15/09/474551509.db2.gz DAKHQXSWECLWGM-QANKJYHBSA-N 1 0 330.384 2.730 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271447666 474552068 /nfs/dbraw/zinc/55/20/68/474552068.db2.gz DAKHQXSWECLWGM-OWQGQXMQSA-N 1 0 330.384 2.730 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000290086854 474553074 /nfs/dbraw/zinc/55/30/74/474553074.db2.gz WNHPDBCWQKZIOY-IAGOWNOFSA-N 1 0 333.432 2.668 20 5 EFBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000184579956 474553861 /nfs/dbraw/zinc/55/38/61/474553861.db2.gz QESPCYRLVOHHBF-HNNXBMFYSA-N 1 0 347.371 2.802 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000267001215 474561688 /nfs/dbraw/zinc/56/16/88/474561688.db2.gz CZTOHZVYNTYKPC-OAHLLOKOSA-N 1 0 348.399 2.769 20 5 EFBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000271474832 474564173 /nfs/dbraw/zinc/56/41/73/474564173.db2.gz ITPPIWNPEWXCRG-OCCSQVGLSA-N 1 0 332.322 2.819 20 5 EFBDRO CC[C@H](C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000249408191 474568035 /nfs/dbraw/zinc/56/80/35/474568035.db2.gz DQHFOQAQVCWNKQ-CRAIPNDOSA-N 1 0 346.431 2.668 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284100768 474572451 /nfs/dbraw/zinc/57/24/51/474572451.db2.gz MUKYKKWYLOZJFY-PIGZYNQJSA-N 1 0 331.372 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249452201 474574571 /nfs/dbraw/zinc/57/45/71/474574571.db2.gz CPKZRERIYMXTLU-OUCADQQQSA-N 1 0 328.315 2.853 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1 ZINC000267097162 474589277 /nfs/dbraw/zinc/58/92/77/474589277.db2.gz RZDRFLCWPJBKAZ-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO COc1cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c([N+](=O)[O-])cc1O ZINC000271795464 474591491 /nfs/dbraw/zinc/59/14/91/474591491.db2.gz HSXLDVVSFCWGKY-LBPRGKRZSA-N 1 0 338.404 2.587 20 5 EFBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249732130 474607963 /nfs/dbraw/zinc/60/79/63/474607963.db2.gz AZBUBJQNVDVZBR-UMVBOHGHSA-N 1 0 333.432 2.999 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCC[NH+]1CCOCC1 ZINC000278340227 474615019 /nfs/dbraw/zinc/61/50/19/474615019.db2.gz JAHNOJMRQRUSLD-UHFFFAOYSA-N 1 0 348.325 2.533 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000184846198 474618687 /nfs/dbraw/zinc/61/86/87/474618687.db2.gz BSTKBIWUBHPLFN-IMJJTQAJSA-N 1 0 345.443 2.905 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291581967 474624273 /nfs/dbraw/zinc/62/42/73/474624273.db2.gz OZFCJNNTNWSETB-FQEVSTJZSA-N 1 0 337.228 2.902 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCCC1 ZINC000267239803 474626571 /nfs/dbraw/zinc/62/65/71/474626571.db2.gz ROHVZCOYGXIJOX-UHFFFAOYSA-N 1 0 348.403 2.839 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267248518 474627703 /nfs/dbraw/zinc/62/77/03/474627703.db2.gz NWDPFRWADYYVKU-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1F ZINC000284365375 474628039 /nfs/dbraw/zinc/62/80/39/474628039.db2.gz ZMAVYCBHSGJRSE-WFASDCNBSA-N 1 0 335.379 2.599 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278390045 474630289 /nfs/dbraw/zinc/63/02/89/474630289.db2.gz MFKAAUXGRTXGKH-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000250201506 474631042 /nfs/dbraw/zinc/63/10/42/474631042.db2.gz CVUHSFRLZYGVBV-FUHWJXTLSA-N 1 0 342.395 2.824 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000609135512 480116776 /nfs/dbraw/zinc/11/67/76/480116776.db2.gz OLQUZUGDEJBUBO-HNNXBMFYSA-N 1 0 344.415 2.539 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267266680 474632677 /nfs/dbraw/zinc/63/26/77/474632677.db2.gz LMXKZYLSARLPQY-HUUCEWRRSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267281503 474636691 /nfs/dbraw/zinc/63/66/91/474636691.db2.gz KWGMCRPUSUXWLT-OLZOCXBDSA-N 1 0 331.372 2.944 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272961625 474651079 /nfs/dbraw/zinc/65/10/79/474651079.db2.gz NMHNXXNDMFXEPZ-LLVKDONJSA-N 1 0 335.429 2.697 20 5 EFBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000272965128 474652433 /nfs/dbraw/zinc/65/24/33/474652433.db2.gz ANBMTNWLUYAURY-UHFFFAOYSA-N 1 0 348.424 2.893 20 5 EFBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000267366337 474659212 /nfs/dbraw/zinc/65/92/12/474659212.db2.gz JBGQYQSMTRRHLC-GASCZTMLSA-N 1 0 348.447 2.706 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291730270 474659485 /nfs/dbraw/zinc/65/94/85/474659485.db2.gz IGKCRKROUQGZRZ-RHSMWYFYSA-N 1 0 339.395 2.988 20 5 EFBDRO Cc1ccnc(NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000278492555 474660620 /nfs/dbraw/zinc/66/06/20/474660620.db2.gz HMHZNHWHCFATSB-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278500611 474664434 /nfs/dbraw/zinc/66/44/34/474664434.db2.gz NVACXCAZWVHJAL-CYBMUJFWSA-N 1 0 349.822 2.740 20 5 EFBDRO Cc1cc(NCCN(C)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340810732 474683048 /nfs/dbraw/zinc/68/30/48/474683048.db2.gz ZPRZYIVXBRNSBC-UHFFFAOYSA-N 1 0 342.321 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCCO)CC1 ZINC000273041767 474687047 /nfs/dbraw/zinc/68/70/47/474687047.db2.gz WWKUTOFTNHAAQZ-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO Cc1c([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114247 474695720 /nfs/dbraw/zinc/69/57/20/474695720.db2.gz HFZVWLOFUNWKGF-JKSUJKDBSA-N 1 0 335.448 2.647 20 5 EFBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278555253 474698267 /nfs/dbraw/zinc/69/82/67/474698267.db2.gz BWAZCAAURLDTJF-PXAZEXFGSA-N 1 0 348.424 2.953 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000252652770 474702471 /nfs/dbraw/zinc/70/24/71/474702471.db2.gz FEZOIFFCOQQWCB-LBTNJELSSA-N 1 0 347.415 2.549 20 5 EFBDRO Cc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152699 474703836 /nfs/dbraw/zinc/70/38/36/474703836.db2.gz UQKBHRYPVNTXMA-NVXWUHKLSA-N 1 0 335.448 2.647 20 5 EFBDRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154136 474706963 /nfs/dbraw/zinc/70/69/63/474706963.db2.gz VEIJFRYGTQOART-QWHCGFSZSA-N 1 0 349.456 2.896 20 5 EFBDRO CCNC(=O)CN(CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338892145 474707774 /nfs/dbraw/zinc/70/77/74/474707774.db2.gz LWENJLXSQCEMIZ-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273104427 474717117 /nfs/dbraw/zinc/71/71/17/474717117.db2.gz BLHJLELEYZZZQA-SNVBAGLBSA-N 1 0 345.852 2.797 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000291849968 474717628 /nfs/dbraw/zinc/71/76/28/474717628.db2.gz JQWKHASHTIRGIT-CQSZACIVSA-N 1 0 348.447 2.654 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000278597772 474727670 /nfs/dbraw/zinc/72/76/70/474727670.db2.gz ZJDIRMCYBZQZHF-BBPFYFEFSA-N 1 0 348.443 2.826 20 5 EFBDRO COc1cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000292986411 474751499 /nfs/dbraw/zinc/75/14/99/474751499.db2.gz NPCWABQMJWKAGZ-KRWDZBQOSA-N 1 0 338.404 2.643 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284753290 474752182 /nfs/dbraw/zinc/75/21/82/474752182.db2.gz JOYHCZMJOHNGFJ-PILAGYSTSA-N 1 0 334.416 2.908 20 5 EFBDRO CCSCC[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273166813 474753828 /nfs/dbraw/zinc/75/38/28/474753828.db2.gz OGZXFUWOIRLGLE-KGLIPLIRSA-N 1 0 342.461 2.798 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)cc1C(F)(F)F ZINC000253431879 474756012 /nfs/dbraw/zinc/75/60/12/474756012.db2.gz YASIPMVOASGDCI-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO CCc1oc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000338941224 474756689 /nfs/dbraw/zinc/75/66/89/474756689.db2.gz DBGUWFRBLXKUCU-UHFFFAOYSA-N 1 0 332.356 2.869 20 5 EFBDRO C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000305728676 474758584 /nfs/dbraw/zinc/75/85/84/474758584.db2.gz MNWYNNKTKIFCCL-BBRMVZONSA-N 1 0 345.399 2.885 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284789180 474771521 /nfs/dbraw/zinc/77/15/21/474771521.db2.gz MCRXANCIGQGGJR-MOIQIXESSA-N 1 0 334.416 2.908 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284789185 474771695 /nfs/dbraw/zinc/77/16/95/474771695.db2.gz MCRXANCIGQGGJR-UWIFEVILSA-N 1 0 334.416 2.908 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284789178 474773130 /nfs/dbraw/zinc/77/31/30/474773130.db2.gz MCRXANCIGQGGJR-AETAKHFUSA-N 1 0 334.416 2.908 20 5 EFBDRO CON(C)C(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000291979766 474785334 /nfs/dbraw/zinc/78/53/34/474785334.db2.gz WFLHMVORMKSMMV-CYBMUJFWSA-N 1 0 335.404 2.696 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000291994942 474793670 /nfs/dbraw/zinc/79/36/70/474793670.db2.gz BNOHJZGICFEKEZ-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO CCOC(=O)c1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268131219 474816356 /nfs/dbraw/zinc/81/63/56/474816356.db2.gz AKOIBSUKBUKKLG-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCCCO ZINC000278758567 474817070 /nfs/dbraw/zinc/81/70/70/474817070.db2.gz BJCGOXOTYHORHQ-NSHDSACASA-N 1 0 343.811 2.670 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000293110242 474817955 /nfs/dbraw/zinc/81/79/55/474817955.db2.gz QVRVRFIVOBCPMF-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000273286096 474823860 /nfs/dbraw/zinc/82/38/60/474823860.db2.gz YSXMSHONTACBJW-SFHVURJKSA-N 1 0 327.384 2.774 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268149370 474826565 /nfs/dbraw/zinc/82/65/65/474826565.db2.gz FYGSWRZATSTREU-ZWNOBZJWSA-N 1 0 335.429 2.529 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000268156505 474833963 /nfs/dbraw/zinc/83/39/63/474833963.db2.gz NYLXWXZJGRHXRO-AWEZNQCLSA-N 1 0 337.376 2.828 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000278787058 474835644 /nfs/dbraw/zinc/83/56/44/474835644.db2.gz LZHFRVZJRFDBDC-NOLJZWGESA-N 1 0 338.404 2.838 20 5 EFBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293144461 474838490 /nfs/dbraw/zinc/83/84/90/474838490.db2.gz NRLJIHLWTXCPPY-CZUORRHYSA-N 1 0 335.404 2.669 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293153092 474841032 /nfs/dbraw/zinc/84/10/32/474841032.db2.gz BYKYGPCIKGKSDR-RDTXWAMCSA-N 1 0 346.431 2.701 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273370201 474863279 /nfs/dbraw/zinc/86/32/79/474863279.db2.gz BTENCJBXKFOXLQ-JKSUJKDBSA-N 1 0 348.378 2.783 20 5 EFBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000345073361 474868112 /nfs/dbraw/zinc/86/81/12/474868112.db2.gz XGPRCOCYTJZTKA-IAGOWNOFSA-N 1 0 343.358 2.562 20 5 EFBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255567193 474874339 /nfs/dbraw/zinc/87/43/39/474874339.db2.gz ZDGFIQNLHCYETF-SVEBXFOSSA-N 1 0 343.427 2.846 20 5 EFBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000278856979 474876419 /nfs/dbraw/zinc/87/64/19/474876419.db2.gz GCTBEGPJOUBXFK-CQSZACIVSA-N 1 0 338.795 2.764 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000255593231 474878952 /nfs/dbraw/zinc/87/89/52/474878952.db2.gz SQPUMONKFBORHP-SYMMMWLZSA-N 1 0 331.416 2.797 20 5 EFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCOCC1 ZINC000345090176 474881383 /nfs/dbraw/zinc/88/13/83/474881383.db2.gz JDPSLZGMOKLOPQ-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000278868662 474882768 /nfs/dbraw/zinc/88/27/68/474882768.db2.gz VDLKBXVSRPBSGR-LLVKDONJSA-N 1 0 341.358 2.563 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000278874568 474886089 /nfs/dbraw/zinc/88/60/89/474886089.db2.gz ZRWNVYPEJXVZGF-LBPRGKRZSA-N 1 0 339.823 2.938 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293257006 474892991 /nfs/dbraw/zinc/89/29/91/474892991.db2.gz FYWJCIKXBSBDCY-GXFFZTMASA-N 1 0 331.397 2.634 20 5 EFBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+](C2CCC2)C1 ZINC000292186914 474893073 /nfs/dbraw/zinc/89/30/73/474893073.db2.gz FTNNTDAVSNCKLR-CYBMUJFWSA-N 1 0 330.432 2.873 20 5 EFBDRO C[NH+](C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000341036096 474902074 /nfs/dbraw/zinc/90/20/74/474902074.db2.gz CGNYVUBFOITOMJ-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000293273303 474903885 /nfs/dbraw/zinc/90/38/85/474903885.db2.gz CBDWYUOWROFDQW-UHFFFAOYSA-N 1 0 346.387 2.914 20 5 EFBDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000285148912 474905953 /nfs/dbraw/zinc/90/59/53/474905953.db2.gz MDHIRWCANJRSGZ-CYBMUJFWSA-N 1 0 348.447 2.865 20 5 EFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273457673 474906624 /nfs/dbraw/zinc/90/66/24/474906624.db2.gz DXRAJGZKRUOVSK-SADTYBKJSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000292218365 474908933 /nfs/dbraw/zinc/90/89/33/474908933.db2.gz USZRSWTVUWSVKI-ZDUSSCGKSA-N 1 0 348.374 2.999 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255864948 474909830 /nfs/dbraw/zinc/90/98/30/474909830.db2.gz KIOFMOMCWWCSBB-NKIGNDQYSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCCCO ZINC000278913618 474913078 /nfs/dbraw/zinc/91/30/78/474913078.db2.gz QSEVIMSOAYAGCK-NSHDSACASA-N 1 0 343.811 2.670 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000339083737 474913119 /nfs/dbraw/zinc/91/31/19/474913119.db2.gz LCCVCOXIKMQVBP-BHYNMZESSA-N 1 0 330.306 2.816 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000320571826 474913970 /nfs/dbraw/zinc/91/39/70/474913970.db2.gz MIHVOFLTXJJKTP-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273468359 474915460 /nfs/dbraw/zinc/91/54/60/474915460.db2.gz OBCQOUBRJHPDDU-LBPRGKRZSA-N 1 0 338.383 2.833 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341056044 474922816 /nfs/dbraw/zinc/92/28/16/474922816.db2.gz MFWIZNCMWDLYBK-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273498000 474930259 /nfs/dbraw/zinc/93/02/59/474930259.db2.gz UMZMUQVVYYTFJV-GFCCVEGCSA-N 1 0 338.383 2.976 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000268345363 474932730 /nfs/dbraw/zinc/93/27/30/474932730.db2.gz SXOQBHFYLWOHIW-UHFFFAOYSA-N 1 0 337.811 2.550 20 5 EFBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000337357853 474934216 /nfs/dbraw/zinc/93/42/16/474934216.db2.gz BJHUFBYCRNJTPN-ZDUSSCGKSA-N 1 0 335.404 2.718 20 5 EFBDRO Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000273520710 474941985 /nfs/dbraw/zinc/94/19/85/474941985.db2.gz SLMNHVKTLRNPJS-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000268365379 474943863 /nfs/dbraw/zinc/94/38/63/474943863.db2.gz LASSZIPNEBVBCX-BDJLRTHQSA-N 1 0 330.388 2.535 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339125410 474952118 /nfs/dbraw/zinc/95/21/18/474952118.db2.gz VJWGUTJUSSMBKK-DGCLKSJQSA-N 1 0 345.321 2.618 20 5 EFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000337380649 474958115 /nfs/dbraw/zinc/95/81/15/474958115.db2.gz CWEKHVLSOUWFAX-KRWDZBQOSA-N 1 0 333.363 2.883 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000273549656 474958646 /nfs/dbraw/zinc/95/86/46/474958646.db2.gz VFVDPABRXALRPE-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])cn3)CCCC2)CC1 ZINC000341088860 474961357 /nfs/dbraw/zinc/96/13/57/474961357.db2.gz ACNBBDYMFRDOGJ-UHFFFAOYSA-N 1 0 334.420 2.825 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325073 474962623 /nfs/dbraw/zinc/96/26/23/474962623.db2.gz FSRMBSBDSSYSAU-CHWSQXEVSA-N 1 0 337.445 2.997 20 5 EFBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@H]2C1 ZINC000279233292 474966449 /nfs/dbraw/zinc/96/64/49/474966449.db2.gz ROPQYMHAODUUPN-GASCZTMLSA-N 1 0 347.418 2.727 20 5 EFBDRO COC1CC[NH+](C2(CNc3ncccc3[N+](=O)[O-])CCCC2)CC1 ZINC000341094571 474968315 /nfs/dbraw/zinc/96/83/15/474968315.db2.gz GBVSYURSYLHSTK-UHFFFAOYSA-N 1 0 334.420 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc3c(c2)OCCO3)cc1 ZINC000325041290 474981439 /nfs/dbraw/zinc/98/14/39/474981439.db2.gz MMJHJSRTVBSYGC-UHFFFAOYSA-N 1 0 328.368 2.741 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC000261608861 474992161 /nfs/dbraw/zinc/99/21/61/474992161.db2.gz ANXQPUMXAGOPAT-QMMMGPOBSA-N 1 0 338.389 2.526 20 5 EFBDRO Cc1nc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000268463420 474992930 /nfs/dbraw/zinc/99/29/30/474992930.db2.gz HVHOZRKEZZGHHE-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261613024 474996443 /nfs/dbraw/zinc/99/64/43/474996443.db2.gz DZNIDCCAFVERLD-INIZCTEOSA-N 1 0 325.368 2.520 20 5 EFBDRO C[N@H+](CCOCC(F)(F)C(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000285393846 475002850 /nfs/dbraw/zinc/00/28/50/475002850.db2.gz SPQXDPPYDSFUPR-UHFFFAOYSA-N 1 0 338.301 2.986 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609310240 480142213 /nfs/dbraw/zinc/14/22/13/480142213.db2.gz YADWCLRRKQDCKM-LBPRGKRZSA-N 1 0 342.399 2.823 20 5 EFBDRO COc1ccc(COc2ccc3c(c2)OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000326501944 475006921 /nfs/dbraw/zinc/00/69/21/475006921.db2.gz IIRKYCPGJGODLL-UHFFFAOYSA-N 1 0 330.340 2.664 20 5 EFBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@H+]1C ZINC000293509000 475014192 /nfs/dbraw/zinc/01/41/92/475014192.db2.gz VAVJETRUVKDUMN-BETUJISGSA-N 1 0 330.388 2.774 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268500394 475016756 /nfs/dbraw/zinc/01/67/56/475016756.db2.gz RWMMIOTWKIFIKC-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292427575 475019412 /nfs/dbraw/zinc/01/94/12/475019412.db2.gz WYNUBMSBHODWIH-NSHDSACASA-N 1 0 335.433 2.615 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000285436836 475024423 /nfs/dbraw/zinc/02/44/23/475024423.db2.gz XFOSISFQTVCPBD-INIZCTEOSA-N 1 0 348.374 2.648 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000261684210 475024626 /nfs/dbraw/zinc/02/46/26/475024626.db2.gz MZKLKJKUBLHBQT-QGZVFWFLSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cccc1[N+](=O)[O-] ZINC000327885313 475025058 /nfs/dbraw/zinc/02/50/58/475025058.db2.gz UJJVRHJRPNWONA-ZDUSSCGKSA-N 1 0 338.371 2.730 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000339205371 475037939 /nfs/dbraw/zinc/03/79/39/475037939.db2.gz KTIIDGNLDKHTNR-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000285749794 475038720 /nfs/dbraw/zinc/03/87/20/475038720.db2.gz QUWBBHUFLQGEBJ-RHSMWYFYSA-N 1 0 327.384 2.840 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000261728830 475042224 /nfs/dbraw/zinc/04/22/24/475042224.db2.gz RLJYGTVBRFUCOM-ZDUSSCGKSA-N 1 0 341.396 2.898 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261761822 475053354 /nfs/dbraw/zinc/05/33/54/475053354.db2.gz OAJFMVLVBZQGCW-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273810044 475061922 /nfs/dbraw/zinc/06/19/22/475061922.db2.gz ARTZATRFUYZQSS-GFCCVEGCSA-N 1 0 339.411 2.858 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000345292911 475065792 /nfs/dbraw/zinc/06/57/92/475065792.db2.gz YOTNTGYEIUEREA-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO CCOc1cccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000273837468 475075958 /nfs/dbraw/zinc/07/59/58/475075958.db2.gz GXTYPHLUAGUKFN-CQSZACIVSA-N 1 0 349.431 2.906 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(F)c1 ZINC000341514359 475103829 /nfs/dbraw/zinc/10/38/29/475103829.db2.gz RSTJCTHXJXKADG-UHFFFAOYSA-N 1 0 336.392 2.949 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000273915781 475115528 /nfs/dbraw/zinc/11/55/28/475115528.db2.gz PYLLOVSATIYZMR-HOTGVXAUSA-N 1 0 349.406 2.755 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997014 475118493 /nfs/dbraw/zinc/11/84/93/475118493.db2.gz IECIESUDJFTJQL-JEBQAFNWSA-N 1 0 329.444 2.988 20 5 EFBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000261941942 475121871 /nfs/dbraw/zinc/12/18/71/475121871.db2.gz NLFATLITAOYPFJ-MRXNPFEDSA-N 1 0 341.367 2.854 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292625664 475122552 /nfs/dbraw/zinc/12/25/52/475122552.db2.gz OUUQBJLGPZLJMH-SWLSCSKDSA-N 1 0 346.431 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](O)C34CCCC4)n2)c1 ZINC000292642292 475130507 /nfs/dbraw/zinc/13/05/07/475130507.db2.gz HLKPDVUQAPGZQZ-AWEZNQCLSA-N 1 0 344.371 2.524 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000273960220 475137886 /nfs/dbraw/zinc/13/78/86/475137886.db2.gz LPXOTCIKPYKVOW-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000295948267 475138694 /nfs/dbraw/zinc/13/86/94/475138694.db2.gz ILDIIYMIYLBUDI-QBPKDAKJSA-N 1 0 332.400 2.566 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421532 475140263 /nfs/dbraw/zinc/14/02/63/475140263.db2.gz KBYITMICJMBIEB-KMFMINBZSA-N 1 0 344.415 2.680 20 5 EFBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341571843 475156732 /nfs/dbraw/zinc/15/67/32/475156732.db2.gz ZMBQXDPTKYOKSQ-KRWDZBQOSA-N 1 0 341.411 2.772 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296027634 475170270 /nfs/dbraw/zinc/17/02/70/475170270.db2.gz OURVULLQNPNSBE-YHWZYXNKSA-N 1 0 333.388 2.727 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000287495622 475171976 /nfs/dbraw/zinc/17/19/76/475171976.db2.gz NMVBWAQSXBXQJE-GOEBONIOSA-N 1 0 346.431 2.926 20 5 EFBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000339378164 475174522 /nfs/dbraw/zinc/17/45/22/475174522.db2.gz CNTJRMGJNONXRP-HOTGVXAUSA-N 1 0 339.823 2.543 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000262137496 475183001 /nfs/dbraw/zinc/18/30/01/475183001.db2.gz XMXNSUQQSFDCPE-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000262154135 475186686 /nfs/dbraw/zinc/18/66/86/475186686.db2.gz ZEMYQHSJWPRTFX-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389399 475187218 /nfs/dbraw/zinc/18/72/18/475187218.db2.gz PPPPUKNAYSRWFK-GXFFZTMASA-N 1 0 347.375 2.515 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292761590 475187808 /nfs/dbraw/zinc/18/78/08/475187808.db2.gz RNDDNMFYUDWFOU-CQSZACIVSA-N 1 0 337.420 2.600 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000292772402 475190544 /nfs/dbraw/zinc/19/05/44/475190544.db2.gz SIPLRYKBUFYKJU-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296088174 475193464 /nfs/dbraw/zinc/19/34/64/475193464.db2.gz POZWWYBALZOOTO-ZDUSSCGKSA-N 1 0 345.403 2.799 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000296089790 475193522 /nfs/dbraw/zinc/19/35/22/475193522.db2.gz WLXWDKUDODYRFS-FUHWJXTLSA-N 1 0 327.384 2.903 20 5 EFBDRO CCCOc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000341629449 475195160 /nfs/dbraw/zinc/19/51/60/475195160.db2.gz PADKCSXGEIYVNC-ZDUSSCGKSA-N 1 0 348.403 2.940 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292813035 475205620 /nfs/dbraw/zinc/20/56/20/475205620.db2.gz CLOOUYQHZLMMGA-STQMWFEESA-N 1 0 336.310 2.575 20 5 EFBDRO CC(C)(C)N(CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292819441 475208045 /nfs/dbraw/zinc/20/80/45/475208045.db2.gz NVCILTPIIYMJFX-UHFFFAOYSA-N 1 0 333.310 2.699 20 5 EFBDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296166801 475213309 /nfs/dbraw/zinc/21/33/09/475213309.db2.gz WXBMXYYYVJURMX-AWEZNQCLSA-N 1 0 349.431 2.663 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000296209572 475224343 /nfs/dbraw/zinc/22/43/43/475224343.db2.gz VOARXDXQGIZWPP-ZDUSSCGKSA-N 1 0 345.403 2.799 20 5 EFBDRO NC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CCCCC1 ZINC000337671583 475225050 /nfs/dbraw/zinc/22/50/50/475225050.db2.gz AKQNPPDKUNUMAH-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000341698258 475231068 /nfs/dbraw/zinc/23/10/68/475231068.db2.gz LXSPQLDGXCSAFI-QWHCGFSZSA-N 1 0 339.461 2.922 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296228287 475231766 /nfs/dbraw/zinc/23/17/66/475231766.db2.gz AFPLWYDYOCXTQI-KBXCAEBGSA-N 1 0 347.459 2.754 20 5 EFBDRO CNc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361161162 475233289 /nfs/dbraw/zinc/23/32/89/475233289.db2.gz GOVNMNXQYHVIPU-SCLBCKFNSA-N 1 0 348.447 2.877 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378786 475233462 /nfs/dbraw/zinc/23/34/62/475233462.db2.gz LSIDDYSSKFTBJJ-INIZCTEOSA-N 1 0 348.447 2.696 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352378787 475233795 /nfs/dbraw/zinc/23/37/95/475233795.db2.gz LSIDDYSSKFTBJJ-MRXNPFEDSA-N 1 0 348.447 2.696 20 5 EFBDRO CNc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361162374 475234495 /nfs/dbraw/zinc/23/44/95/475234495.db2.gz SRRQIBCDOBPCEH-ZDUSSCGKSA-N 1 0 348.447 2.877 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000609383519 480155080 /nfs/dbraw/zinc/15/50/80/480155080.db2.gz ROYUATLXASSVAK-LBPRGKRZSA-N 1 0 335.429 2.531 20 5 EFBDRO O=[N+]([O-])c1ccccc1Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000345523845 475239390 /nfs/dbraw/zinc/23/93/90/475239390.db2.gz CBWYVKVVNSRSPW-UHFFFAOYSA-N 1 0 328.372 2.910 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347333413 475240039 /nfs/dbraw/zinc/24/00/39/475240039.db2.gz YUKVXEWJMLYLGY-YOEHRIQHSA-N 1 0 344.371 2.879 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1cccnc1 ZINC000347334545 475241423 /nfs/dbraw/zinc/24/14/23/475241423.db2.gz IVHAZUCFYDZGQN-GDNBJRDFSA-N 1 0 327.384 2.888 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000345526521 475242353 /nfs/dbraw/zinc/24/23/53/475242353.db2.gz ITRWNHWLUAQATE-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386474 480155750 /nfs/dbraw/zinc/15/57/50/480155750.db2.gz UQNPDDNUSASMCH-OAHLLOKOSA-N 1 0 348.447 2.694 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357913352 475256641 /nfs/dbraw/zinc/25/66/41/475256641.db2.gz XECBUTOSGBFBHJ-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000347373893 475277817 /nfs/dbraw/zinc/27/78/17/475277817.db2.gz MOTIXMUZXLFLTK-LRFDDAOPSA-N 1 0 344.415 2.534 20 5 EFBDRO NC(=O)C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339529945 475278111 /nfs/dbraw/zinc/27/81/11/475278111.db2.gz FDNGKSCDXZDXJK-DIEDAUMRSA-N 1 0 325.368 2.814 20 5 EFBDRO CNc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000361219714 475279061 /nfs/dbraw/zinc/27/90/61/475279061.db2.gz GIDRJSIUFFHTAM-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1nnc2n1CCC2 ZINC000347382357 475283581 /nfs/dbraw/zinc/28/35/81/475283581.db2.gz VFDKKSQGTJAYFF-CNELAYHGSA-N 1 0 327.388 2.887 20 5 EFBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296369247 475286665 /nfs/dbraw/zinc/28/66/65/475286665.db2.gz SNIBFFNKGAWAHT-IUODEOHRSA-N 1 0 331.372 2.638 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000347392214 475291151 /nfs/dbraw/zinc/29/11/51/475291151.db2.gz RGCSPWCWKBTJER-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CS[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000296476186 475333251 /nfs/dbraw/zinc/33/32/51/475333251.db2.gz YBGNSKYONZQPBR-JTQLQIEISA-N 1 0 329.809 2.624 20 5 EFBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000361262777 475311611 /nfs/dbraw/zinc/31/16/11/475311611.db2.gz PKCIJNIAJPELTD-YGRLFVJLSA-N 1 0 341.371 2.715 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000341800077 475312204 /nfs/dbraw/zinc/31/22/04/475312204.db2.gz QKHPBMCMBZIPGR-HOCLYGCPSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000341800078 475312665 /nfs/dbraw/zinc/31/26/65/475312665.db2.gz QKHPBMCMBZIPGR-ZBFHGGJFSA-N 1 0 333.432 2.716 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000354680556 475334976 /nfs/dbraw/zinc/33/49/76/475334976.db2.gz SLLSPWPRTXZKBL-UHFFFAOYSA-N 1 0 326.356 2.921 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000296488545 475338935 /nfs/dbraw/zinc/33/89/35/475338935.db2.gz XXHONXWMDMFHCP-UHFFFAOYSA-N 1 0 336.367 2.872 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296495496 475341732 /nfs/dbraw/zinc/34/17/32/475341732.db2.gz YIHBLOLHPDVJIY-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO CCC[C@H]([NH2+][C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488515 475342800 /nfs/dbraw/zinc/34/28/00/475342800.db2.gz QYOVWCFUFDDZMT-LSDHHAIUSA-N 1 0 339.461 2.893 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296504701 475346355 /nfs/dbraw/zinc/34/63/55/475346355.db2.gz ZIEOBKUZROULPS-DAXOMENPSA-N 1 0 347.415 2.859 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000358040659 475357999 /nfs/dbraw/zinc/35/79/99/475357999.db2.gz ZYAWJSZJWZMAGY-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296531144 475358341 /nfs/dbraw/zinc/35/83/41/475358341.db2.gz DCEJVLKPSHLDKP-ZBEGNZNMSA-N 1 0 331.328 2.887 20 5 EFBDRO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652500 475364641 /nfs/dbraw/zinc/36/46/41/475364641.db2.gz KKWMNWLJLDXRIK-CVEARBPZSA-N 1 0 333.388 2.567 20 5 EFBDRO COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296562139 475372297 /nfs/dbraw/zinc/37/22/97/475372297.db2.gz CPDVHMKLYNEZOF-CXAGYDPISA-N 1 0 335.404 2.589 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1C ZINC000348091225 475378796 /nfs/dbraw/zinc/37/87/96/475378796.db2.gz ZYWUXKXMMUFVPN-LBPRGKRZSA-N 1 0 331.372 2.879 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1cnccn1 ZINC000341885258 475382309 /nfs/dbraw/zinc/38/23/09/475382309.db2.gz LTFXXNSHLAFWDK-RHSMWYFYSA-N 1 0 326.400 2.928 20 5 EFBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000348107909 475395218 /nfs/dbraw/zinc/39/52/18/475395218.db2.gz QUOMYIHYTNONPV-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358106989 475406173 /nfs/dbraw/zinc/40/61/73/475406173.db2.gz MBLFRGSCZDAWGE-CYBMUJFWSA-N 1 0 336.436 2.823 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296651241 475411557 /nfs/dbraw/zinc/41/15/57/475411557.db2.gz FLLUZGKFCNDWKW-YHWZYXNKSA-N 1 0 348.403 2.740 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ncn(-c2ccccc2)n1 ZINC000352559158 475411942 /nfs/dbraw/zinc/41/19/42/475411942.db2.gz BSZSHGRHCYQFRP-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000296667427 475421028 /nfs/dbraw/zinc/42/10/28/475421028.db2.gz HCNAMLQSXKRIPJ-INIZCTEOSA-N 1 0 336.367 2.602 20 5 EFBDRO [NH3+]C1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331813591 475421382 /nfs/dbraw/zinc/42/13/82/475421382.db2.gz KPUIYWPEBWZVDF-QQFBHYJXSA-N 1 0 346.431 2.754 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296685662 475429106 /nfs/dbraw/zinc/42/91/06/475429106.db2.gz IZJRCEOSYUVQKX-VXGBXAGGSA-N 1 0 338.383 2.989 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000296685699 475429934 /nfs/dbraw/zinc/42/99/34/475429934.db2.gz JACPPDDIISDMGW-NHYWBVRUSA-N 1 0 336.367 2.600 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000341955746 475448150 /nfs/dbraw/zinc/44/81/50/475448150.db2.gz ZGRFDASUNWFHCP-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+](C(C)C)C(C)C ZINC000348171928 475450012 /nfs/dbraw/zinc/45/00/12/475450012.db2.gz WLGRJCVBNXEVSJ-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2CCCC2)CC1 ZINC000339740428 475457751 /nfs/dbraw/zinc/45/77/51/475457751.db2.gz GUXZSEFWTVTMKA-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339758579 475475101 /nfs/dbraw/zinc/47/51/01/475475101.db2.gz MDXHFKQEXBENQF-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296796797 475480749 /nfs/dbraw/zinc/48/07/49/475480749.db2.gz LEELVFDYBYIBEB-XJKSGUPXSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000332043181 475493903 /nfs/dbraw/zinc/49/39/03/475493903.db2.gz LUXQZQZKNDPHOC-IUIKQTSFSA-N 1 0 335.379 2.580 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337999766 475495241 /nfs/dbraw/zinc/49/52/41/475495241.db2.gz LDKKEASVESTYGB-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000361508121 475504358 /nfs/dbraw/zinc/50/43/58/475504358.db2.gz IXZYAGDQKJMZST-CQSZACIVSA-N 1 0 349.431 2.715 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352665539 475508268 /nfs/dbraw/zinc/50/82/68/475508268.db2.gz FKASFXZMRSCORJ-JQWIXIFHSA-N 1 0 346.330 2.550 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358232420 475511963 /nfs/dbraw/zinc/51/19/63/475511963.db2.gz CKZGQJBXLWGBGA-SIXLDLHFSA-N 1 0 345.443 2.810 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296866109 475512498 /nfs/dbraw/zinc/51/24/98/475512498.db2.gz ZEHNVQYEBVMRNE-GUYCJALGSA-N 1 0 348.374 2.962 20 5 EFBDRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296871699 475515708 /nfs/dbraw/zinc/51/57/08/475515708.db2.gz ZRMUGEHZKYUXRV-ZDUSSCGKSA-N 1 0 328.434 2.850 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332119858 475519711 /nfs/dbraw/zinc/51/97/11/475519711.db2.gz BXZKPQSMPCEUSM-OAHLLOKOSA-N 1 0 349.456 2.774 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000338030164 475524067 /nfs/dbraw/zinc/52/40/67/475524067.db2.gz UMDVTAIFPFNEEV-CYBMUJFWSA-N 1 0 330.388 2.717 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296894255 475524580 /nfs/dbraw/zinc/52/45/80/475524580.db2.gz XKAOHFCRTXPMBD-HNNXBMFYSA-N 1 0 338.795 2.808 20 5 EFBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296923609 475537672 /nfs/dbraw/zinc/53/76/72/475537672.db2.gz WSXQSWUXTLECCK-QGZVFWFLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000296929752 475540106 /nfs/dbraw/zinc/54/01/06/475540106.db2.gz WZJHLPVCHRTDGK-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000332184045 475547133 /nfs/dbraw/zinc/54/71/33/475547133.db2.gz ATXJKJVFTFAMPI-GOEBONIOSA-N 1 0 331.416 2.768 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@H]1CCCC2 ZINC000342158900 475565551 /nfs/dbraw/zinc/56/55/51/475565551.db2.gz RXMJTFYLODAGPJ-RDTXWAMCSA-N 1 0 348.399 2.769 20 5 EFBDRO Cc1c(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358291673 475566164 /nfs/dbraw/zinc/56/61/64/475566164.db2.gz OEFVDMFZFWCEIA-UHFFFAOYSA-N 1 0 348.447 2.967 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2OCC)cc1[N+](=O)[O-] ZINC000354968415 475566945 /nfs/dbraw/zinc/56/69/45/475566945.db2.gz AIGXEPQBBPYCTB-JDFRZJQESA-N 1 0 338.404 2.838 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332230388 475568264 /nfs/dbraw/zinc/56/82/64/475568264.db2.gz DHZCDDNJGSVCSX-VXGBXAGGSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000339861722 475569013 /nfs/dbraw/zinc/56/90/13/475569013.db2.gz OYBLLIKLFXOKDP-CFVMTHIKSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297004079 475571158 /nfs/dbraw/zinc/57/11/58/475571158.db2.gz QNKMQLGLXDTPFZ-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332246995 475573474 /nfs/dbraw/zinc/57/34/74/475573474.db2.gz BIKVOQWBGMLJCT-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000346253134 475577601 /nfs/dbraw/zinc/57/76/01/475577601.db2.gz ZTOLBCMLXKUKEX-JKIFEVAISA-N 1 0 331.416 2.706 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332307000 475594792 /nfs/dbraw/zinc/59/47/92/475594792.db2.gz LQJZTZUTJVOBAD-CYBMUJFWSA-N 1 0 349.456 2.559 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000355018528 475600336 /nfs/dbraw/zinc/60/03/36/475600336.db2.gz XPCIYFBXTOKZRB-OAHLLOKOSA-N 1 0 349.431 2.763 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358338596 475602021 /nfs/dbraw/zinc/60/20/21/475602021.db2.gz MWWJHPVOUMYSGD-GFCCVEGCSA-N 1 0 337.420 2.762 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000348340243 475605420 /nfs/dbraw/zinc/60/54/20/475605420.db2.gz LFJYAVWTZFQQBS-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])c(C)n3)CCCC2)CC1 ZINC000348352270 475613236 /nfs/dbraw/zinc/61/32/36/475613236.db2.gz NCFMQQBZTLVACI-UHFFFAOYSA-N 1 0 348.447 2.556 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ncc(C)cn2)cc1[N+](=O)[O-] ZINC000358360362 475618527 /nfs/dbraw/zinc/61/85/27/475618527.db2.gz AFWRHHVHWJUOFY-ZDUSSCGKSA-N 1 0 330.388 2.985 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000348369471 475623099 /nfs/dbraw/zinc/62/30/99/475623099.db2.gz UMAIZHIIWXCLST-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352789291 475628112 /nfs/dbraw/zinc/62/81/12/475628112.db2.gz BQUVZMPWGYCBCK-QPUJVOFHSA-N 1 0 329.809 2.528 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342738653 475634578 /nfs/dbraw/zinc/63/45/78/475634578.db2.gz JRFYDOFTNOESQK-CHWSQXEVSA-N 1 0 342.399 2.775 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000361658736 475637190 /nfs/dbraw/zinc/63/71/90/475637190.db2.gz GJMBUBMQLQIMRP-OOXMNIKJSA-N 1 0 329.400 2.695 20 5 EFBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000361659684 475640054 /nfs/dbraw/zinc/64/00/54/475640054.db2.gz IQAVMGBAYMGFEF-CHWSQXEVSA-N 1 0 346.383 2.924 20 5 EFBDRO C[C@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297180652 475643481 /nfs/dbraw/zinc/64/34/81/475643481.db2.gz ASRQVZUHIRJDRW-ZDUSSCGKSA-N 1 0 332.404 2.536 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332489677 475649701 /nfs/dbraw/zinc/64/97/01/475649701.db2.gz ACLHBTXOJCVKOZ-MSOLQXFVSA-N 1 0 333.432 2.623 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCCC1 ZINC000342923186 475655194 /nfs/dbraw/zinc/65/51/94/475655194.db2.gz DLOUCBSWZXMTAE-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCCC1 ZINC000342923187 475656403 /nfs/dbraw/zinc/65/64/03/475656403.db2.gz DLOUCBSWZXMTAE-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000297216135 475660832 /nfs/dbraw/zinc/66/08/32/475660832.db2.gz YZKAZTMNAFENOG-JZIBPQBNSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358416590 475662533 /nfs/dbraw/zinc/66/25/33/475662533.db2.gz CTQHFZVSSOMEEV-STQMWFEESA-N 1 0 337.395 2.656 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000355113025 475675473 /nfs/dbraw/zinc/67/54/73/475675473.db2.gz IYYOZHDHRNRDHA-QMMMGPOBSA-N 1 0 334.298 2.685 20 5 EFBDRO CC(C)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000342997705 475684508 /nfs/dbraw/zinc/68/45/08/475684508.db2.gz GMZBPHIEBDZEHK-UHFFFAOYSA-N 1 0 343.374 2.970 20 5 EFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000348477877 475688724 /nfs/dbraw/zinc/68/87/24/475688724.db2.gz KTNVHUOUGHNYRH-AWEZNQCLSA-N 1 0 343.811 2.837 20 5 EFBDRO Cc1nc(Nc2cccc(C[NH+]3CCSCC3)c2)ncc1[N+](=O)[O-] ZINC000297278553 475689207 /nfs/dbraw/zinc/68/92/07/475689207.db2.gz XFFGWLDAWODPHD-UHFFFAOYSA-N 1 0 345.428 2.986 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000297296658 475696810 /nfs/dbraw/zinc/69/68/10/475696810.db2.gz VGESPJZPNFMMJS-IRXDYDNUSA-N 1 0 343.358 2.691 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000297296649 475696824 /nfs/dbraw/zinc/69/68/24/475696824.db2.gz VGESPJZPNFMMJS-DLBZAZTESA-N 1 0 343.358 2.691 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353127640 475702594 /nfs/dbraw/zinc/70/25/94/475702594.db2.gz PQRXQAIKJKXWHA-DEOSSOPVSA-N 1 0 348.424 2.772 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340041406 475708790 /nfs/dbraw/zinc/70/87/90/475708790.db2.gz QOCZHNDHQFTTEC-HNNXBMFYSA-N 1 0 345.443 2.959 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c1 ZINC000348519393 475719104 /nfs/dbraw/zinc/71/91/04/475719104.db2.gz CJTSKZGOZJPCQE-DLBZAZTESA-N 1 0 330.388 2.519 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348534112 475732739 /nfs/dbraw/zinc/73/27/39/475732739.db2.gz OXIKQCBOIQZGFG-HOCLYGCPSA-N 1 0 330.388 2.556 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343066082 475736570 /nfs/dbraw/zinc/73/65/70/475736570.db2.gz AXBVUZUHMJJDJW-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348538569 475736756 /nfs/dbraw/zinc/73/67/56/475736756.db2.gz UBYYALIDHHSYEB-TVYUQYBPSA-N 1 0 343.330 2.672 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000343068388 475739465 /nfs/dbraw/zinc/73/94/65/475739465.db2.gz TZAGZYWOFDKVFN-LSDHHAIUSA-N 1 0 348.447 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3OC(F)F)nc2c1 ZINC000348540238 475740355 /nfs/dbraw/zinc/74/03/55/475740355.db2.gz UYPDZYIIVKNBCV-ZYHUDNBSSA-N 1 0 326.303 2.721 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358548139 475762431 /nfs/dbraw/zinc/76/24/31/475762431.db2.gz TUNBVAQDMBGHAE-UONOGXRCSA-N 1 0 348.447 2.965 20 5 EFBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353226306 475785608 /nfs/dbraw/zinc/78/56/08/475785608.db2.gz GIRNLLAEABAIDD-NSHDSACASA-N 1 0 326.356 2.898 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccncc2F)c([N+](=O)[O-])c1 ZINC000338349141 475812886 /nfs/dbraw/zinc/81/28/86/475812886.db2.gz YPAZMVOCRMLISP-NSHDSACASA-N 1 0 335.335 2.867 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297591718 475821126 /nfs/dbraw/zinc/82/11/26/475821126.db2.gz MUXIWZYHKSOJKB-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000340181446 475832898 /nfs/dbraw/zinc/83/28/98/475832898.db2.gz RDRCTTIQXDTRNQ-CYBMUJFWSA-N 1 0 327.384 2.929 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000346764655 475837269 /nfs/dbraw/zinc/83/72/69/475837269.db2.gz GAJJZPHYNMQOTC-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667683 475849459 /nfs/dbraw/zinc/84/94/59/475849459.db2.gz ZQIHCOJZHOACJH-SWLSCSKDSA-N 1 0 327.388 2.768 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000346777579 475852497 /nfs/dbraw/zinc/85/24/97/475852497.db2.gz SXHLRWNPZUZGCF-NWDGAFQWSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805330 475874762 /nfs/dbraw/zinc/87/47/62/475874762.db2.gz IFTVPKSWGSCFBA-CHWSQXEVSA-N 1 0 326.418 2.521 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358728931 475887536 /nfs/dbraw/zinc/88/75/36/475887536.db2.gz WVTVSXNFUXLFNF-LZWOXQAQSA-N 1 0 333.432 2.715 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831334 475895016 /nfs/dbraw/zinc/89/50/16/475895016.db2.gz KTNNJIWZEUEEBQ-JKSUJKDBSA-N 1 0 345.399 2.793 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC000349063664 475900524 /nfs/dbraw/zinc/90/05/24/475900524.db2.gz ZCJOMSWLCDYBPK-LLVKDONJSA-N 1 0 346.774 2.712 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000297840059 475902729 /nfs/dbraw/zinc/90/27/29/475902729.db2.gz WNLBZZLHIFLMKJ-YOGCLGLASA-N 1 0 337.807 2.912 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000355417576 475919142 /nfs/dbraw/zinc/91/91/42/475919142.db2.gz BXPSGKYNXOHSCD-RKCSUWQLSA-N 1 0 331.416 2.846 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000338460183 475926608 /nfs/dbraw/zinc/92/66/08/475926608.db2.gz XXFPOOQLAYUPRN-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000338461197 475927878 /nfs/dbraw/zinc/92/78/78/475927878.db2.gz HHQPWYOBUUPGOR-INIZCTEOSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)N(C)C(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343313722 475941779 /nfs/dbraw/zinc/94/17/79/475941779.db2.gz JWKJPJZTYPACCQ-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000343321885 475949875 /nfs/dbraw/zinc/94/98/75/475949875.db2.gz YIIFSWANMQRZOZ-INIZCTEOSA-N 1 0 344.367 2.745 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000358803573 475952291 /nfs/dbraw/zinc/95/22/91/475952291.db2.gz QUQXMWVRCKERJA-INIZCTEOSA-N 1 0 325.368 2.511 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000358813937 475960821 /nfs/dbraw/zinc/96/08/21/475960821.db2.gz OFLCNRTYNVPQMA-BLLLJJGKSA-N 1 0 345.374 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCCSC2)c(Cl)c1 ZINC000355474367 475969681 /nfs/dbraw/zinc/96/96/81/475969681.db2.gz POPFSAKPYKZGMB-CYBMUJFWSA-N 1 0 330.837 2.938 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353458358 475987728 /nfs/dbraw/zinc/98/77/28/475987728.db2.gz CDDBCWDLVBTFRF-NSHDSACASA-N 1 0 329.347 2.722 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000338535917 475991872 /nfs/dbraw/zinc/99/18/72/475991872.db2.gz LAPXWGRVVQORCS-KBPBESRZSA-N 1 0 349.431 2.986 20 5 EFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468853 475994163 /nfs/dbraw/zinc/99/41/63/475994163.db2.gz CSZBVLRMQVYAED-QPJJXVBHSA-N 1 0 345.424 2.918 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000338539269 475994719 /nfs/dbraw/zinc/99/47/19/475994719.db2.gz FYIBEHZSVIHZKY-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343388456 476011324 /nfs/dbraw/zinc/01/13/24/476011324.db2.gz QHWLIFGXEVMVES-INIZCTEOSA-N 1 0 335.404 2.718 20 5 EFBDRO Cn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343391623 476016606 /nfs/dbraw/zinc/01/66/06/476016606.db2.gz DYLDPXZICGRSEN-UONOGXRCSA-N 1 0 336.779 2.602 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340413878 476020699 /nfs/dbraw/zinc/02/06/99/476020699.db2.gz QUSQHUGGWAULNU-RDBSUJKOSA-N 1 0 340.445 2.595 20 5 EFBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000349961549 476024314 /nfs/dbraw/zinc/02/43/14/476024314.db2.gz MEAHMBJSEVESII-HZSPNIEDSA-N 1 0 348.447 2.544 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000343400611 476028113 /nfs/dbraw/zinc/02/81/13/476028113.db2.gz IBBHYBOKTSDQQJ-OAHLLOKOSA-N 1 0 346.387 2.940 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000343402001 476030501 /nfs/dbraw/zinc/03/05/01/476030501.db2.gz KORFHDKNVRFBFY-OAHLLOKOSA-N 1 0 346.387 2.940 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000340436049 476034612 /nfs/dbraw/zinc/03/46/12/476034612.db2.gz ALEFOIHIDGENBL-GFCCVEGCSA-N 1 0 349.412 2.817 20 5 EFBDRO CCC[N@H+](CC)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518017 476038970 /nfs/dbraw/zinc/03/89/70/476038970.db2.gz KBOZKJSGOJCNNW-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000340447158 476039768 /nfs/dbraw/zinc/03/97/68/476039768.db2.gz TUVCHFSQEIRUAG-UHFFFAOYSA-N 1 0 349.394 2.675 20 5 EFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520271 476043027 /nfs/dbraw/zinc/04/30/27/476043027.db2.gz NQZIGQPAGQDKPU-WMLDXEAASA-N 1 0 345.447 2.738 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000298301263 476049281 /nfs/dbraw/zinc/04/92/81/476049281.db2.gz BHUIITFOTVFLDT-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000340467516 476052494 /nfs/dbraw/zinc/05/24/94/476052494.db2.gz PUKLJLCJBCMIQG-OAHLLOKOSA-N 1 0 330.388 2.518 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000343425358 476053626 /nfs/dbraw/zinc/05/36/26/476053626.db2.gz YQCZJEDZQSTKNN-ZANVPECISA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362224695 476087379 /nfs/dbraw/zinc/08/73/79/476087379.db2.gz YPTTXEWABAWUIH-OAHLLOKOSA-N 1 0 349.479 2.805 20 5 EFBDRO C[C@H]1C[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353584102 476100886 /nfs/dbraw/zinc/10/08/86/476100886.db2.gz DVUBUOPFRLGMHD-LBPRGKRZSA-N 1 0 332.429 2.854 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000340554270 476103242 /nfs/dbraw/zinc/10/32/42/476103242.db2.gz LROXZVGWUIQLHU-AEFFLSMTSA-N 1 0 334.416 2.989 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000340554272 476103591 /nfs/dbraw/zinc/10/35/91/476103591.db2.gz LROXZVGWUIQLHU-WMZOPIPTSA-N 1 0 334.416 2.989 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000334086691 476108253 /nfs/dbraw/zinc/10/82/53/476108253.db2.gz GIKWNQXQXGPSLV-JOYOIKCWSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777706 476112294 /nfs/dbraw/zinc/11/22/94/476112294.db2.gz IQUPVQZDPYLYQI-OCCSQVGLSA-N 1 0 337.445 2.518 20 5 EFBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000350262102 476112979 /nfs/dbraw/zinc/11/29/79/476112979.db2.gz HHOIRBHTVIDIBO-QGZVFWFLSA-N 1 0 338.404 2.776 20 5 EFBDRO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000359013605 476115084 /nfs/dbraw/zinc/11/50/84/476115084.db2.gz JHZKRDKTRDHUMP-CVEARBPZSA-N 1 0 329.404 2.811 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000350311731 476128706 /nfs/dbraw/zinc/12/87/06/476128706.db2.gz KCRIGXBFNJGKDO-SWLSCSKDSA-N 1 0 326.393 2.878 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000338725724 476137229 /nfs/dbraw/zinc/13/72/29/476137229.db2.gz UULJZCBYMDJVGI-UHFFFAOYSA-N 1 0 327.384 2.924 20 5 EFBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000356857372 476137336 /nfs/dbraw/zinc/13/73/36/476137336.db2.gz AFYLZQPALDTXKN-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCC2(SC)CC[NH+](C)CC2)c1 ZINC000338727138 476139149 /nfs/dbraw/zinc/13/91/49/476139149.db2.gz XIIOMTGKLHEACD-UHFFFAOYSA-N 1 0 325.434 2.843 20 5 EFBDRO CCC(CC)[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344031037 476148095 /nfs/dbraw/zinc/14/80/95/476148095.db2.gz OVVVTVKUSGXKCA-UHFFFAOYSA-N 1 0 328.434 2.879 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1CC ZINC000359054674 476149619 /nfs/dbraw/zinc/14/96/19/476149619.db2.gz LRFPKWBXAXQFRH-GFCCVEGCSA-N 1 0 335.433 2.867 20 5 EFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362316649 476164146 /nfs/dbraw/zinc/16/41/46/476164146.db2.gz CZFGVALOWTTXID-UHFFFAOYSA-N 1 0 342.367 2.906 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359078079 476169673 /nfs/dbraw/zinc/16/96/73/476169673.db2.gz CCYSJLJMQNKBQD-ZDUSSCGKSA-N 1 0 325.368 2.788 20 5 EFBDRO CCc1nn(C)c(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000302186733 476190825 /nfs/dbraw/zinc/19/08/25/476190825.db2.gz VTOJENHMZXZMCB-CJNGLKHVSA-N 1 0 343.431 2.823 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347238596 476195607 /nfs/dbraw/zinc/19/56/07/476195607.db2.gz SIIKXAIIVBAWOG-GFCCVEGCSA-N 1 0 338.383 2.930 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000344268377 476202576 /nfs/dbraw/zinc/20/25/76/476202576.db2.gz SDFSJGLFKAUFBY-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000344273524 476204993 /nfs/dbraw/zinc/20/49/93/476204993.db2.gz KAYUTXBZBLNOOV-HNNXBMFYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000350487331 476209409 /nfs/dbraw/zinc/20/94/09/476209409.db2.gz ZHACHXBDSIKAGV-JKSUJKDBSA-N 1 0 349.431 2.695 20 5 EFBDRO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000362391959 476218059 /nfs/dbraw/zinc/21/80/59/476218059.db2.gz WOHMJCFEZUHQBS-GOSISDBHSA-N 1 0 331.416 2.996 20 5 EFBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000340704691 476220068 /nfs/dbraw/zinc/22/00/68/476220068.db2.gz GVNZHSSGQFRVSR-QGZVFWFLSA-N 1 0 339.395 2.989 20 5 EFBDRO COc1c(C(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000357090243 476223292 /nfs/dbraw/zinc/22/32/92/476223292.db2.gz VZXMRIMTTWCTFG-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362404452 476225845 /nfs/dbraw/zinc/22/58/45/476225845.db2.gz SASOKNOBGWRZNB-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353756758 476248926 /nfs/dbraw/zinc/24/89/26/476248926.db2.gz GYKYVRCLZBVTCV-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353758773 476252343 /nfs/dbraw/zinc/25/23/43/476252343.db2.gz NEMLCLRYFUMEGT-TZMCWYRMSA-N 1 0 336.388 2.815 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000353765804 476256927 /nfs/dbraw/zinc/25/69/27/476256927.db2.gz IVXDKUUDRGOIHD-UHFFFAOYSA-N 1 0 344.367 2.745 20 5 EFBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000304241119 476271861 /nfs/dbraw/zinc/27/18/61/476271861.db2.gz SGBKVHXWYKZXPI-NSHDSACASA-N 1 0 340.763 2.605 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304287905 476275822 /nfs/dbraw/zinc/27/58/22/476275822.db2.gz IRALTBSGUHEERL-DYVFJYSZSA-N 1 0 344.415 2.636 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000304290561 476276309 /nfs/dbraw/zinc/27/63/09/476276309.db2.gz CFRAKUIMXBYDOV-RDJZCZTQSA-N 1 0 336.436 2.587 20 5 EFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000362487383 476279083 /nfs/dbraw/zinc/27/90/83/476279083.db2.gz UOORWGDMCXHYTQ-AWEZNQCLSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000357197277 476285741 /nfs/dbraw/zinc/28/57/41/476285741.db2.gz HXKUKJNDRRRRRM-CQSZACIVSA-N 1 0 335.452 2.809 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038644 476286027 /nfs/dbraw/zinc/28/60/27/476286027.db2.gz ICTWJTSLXBMIKD-FVQBIDKESA-N 1 0 346.431 2.528 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000360059900 476287617 /nfs/dbraw/zinc/28/76/17/476287617.db2.gz RALJXCUOBPWOPO-SMDDNHRTSA-N 1 0 330.388 2.925 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000360126887 476292299 /nfs/dbraw/zinc/29/22/99/476292299.db2.gz WIQXFJFOLZZPFJ-CQSZACIVSA-N 1 0 348.447 2.998 20 5 EFBDRO COc1c(C(=O)NCCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000353833644 476294902 /nfs/dbraw/zinc/29/49/02/476294902.db2.gz UMGZCWGJWUFYIT-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000362540570 476301850 /nfs/dbraw/zinc/30/18/50/476301850.db2.gz LPOZTKSNVVIEIL-CHWSQXEVSA-N 1 0 335.429 2.673 20 5 EFBDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552635 476305834 /nfs/dbraw/zinc/30/58/34/476305834.db2.gz USCVYCDPMLSSAC-XJKSGUPXSA-N 1 0 345.399 2.595 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000357260775 476307627 /nfs/dbraw/zinc/30/76/27/476307627.db2.gz DXTKSFIONYDWEH-OCCSQVGLSA-N 1 0 337.395 2.608 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360583622 476309530 /nfs/dbraw/zinc/30/95/30/476309530.db2.gz OZUNULRQPKCXLE-NJAFHUGGSA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000360588587 476311073 /nfs/dbraw/zinc/31/10/73/476311073.db2.gz KSSBAJOJRQSYHF-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000357290262 476318173 /nfs/dbraw/zinc/31/81/73/476318173.db2.gz BIVFHYWACBHXPZ-UHFFFAOYSA-N 1 0 331.372 2.897 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000362592996 476321083 /nfs/dbraw/zinc/32/10/83/476321083.db2.gz VQIDVKWKQGZQIC-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360655908 476331453 /nfs/dbraw/zinc/33/14/53/476331453.db2.gz ZPCDXCGXGOMVGJ-CQSZACIVSA-N 1 0 344.415 2.743 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978487 476344623 /nfs/dbraw/zinc/34/46/23/476344623.db2.gz LJECUCBTDKYJSI-UNEWFSDZSA-N 1 0 344.415 2.680 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000362676544 476348581 /nfs/dbraw/zinc/34/85/81/476348581.db2.gz VAHSGNKCZWRHPX-GHMZBOCLSA-N 1 0 329.198 2.647 20 5 EFBDRO CCOCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000360725329 476353989 /nfs/dbraw/zinc/35/39/89/476353989.db2.gz KCYPGKXHKSESSE-UHFFFAOYSA-N 1 0 337.420 2.542 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000377394070 476380912 /nfs/dbraw/zinc/38/09/12/476380912.db2.gz VYTVTLUNTCGIQH-UHFFFAOYSA-N 1 0 332.404 2.935 20 5 EFBDRO Cc1cc(Cc2noc(C[C@H](C)n3ccnc3)n2)ccc1[N+](=O)[O-] ZINC000351430485 476454553 /nfs/dbraw/zinc/45/45/53/476454553.db2.gz OGTNKWONEHUTEK-LBPRGKRZSA-N 1 0 327.344 2.877 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000357574373 476464415 /nfs/dbraw/zinc/46/44/15/476464415.db2.gz AJOQTLAKUHLWCS-AWEZNQCLSA-N 1 0 348.447 2.971 20 5 EFBDRO COc1c(C)cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000369661191 476465752 /nfs/dbraw/zinc/46/57/52/476465752.db2.gz AMRMFSUMBIFLPS-UHFFFAOYSA-N 1 0 345.403 2.649 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374295437 476467202 /nfs/dbraw/zinc/46/72/02/476467202.db2.gz MMLKBOFBTWLSLZ-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CSC1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC[NH+](C)CC1 ZINC000357581645 476470735 /nfs/dbraw/zinc/47/07/35/476470735.db2.gz NCNNGFJEGKPOQT-UHFFFAOYSA-N 1 0 336.461 2.802 20 5 EFBDRO CNc1c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000360918191 476476458 /nfs/dbraw/zinc/47/64/58/476476458.db2.gz IVWTUEFXMJZYTN-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000362919082 476481733 /nfs/dbraw/zinc/48/17/33/476481733.db2.gz RGOWMNJUKLOTNM-BETUJISGSA-N 1 0 348.447 2.663 20 5 EFBDRO COc1ccc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369695338 476482095 /nfs/dbraw/zinc/48/20/95/476482095.db2.gz WMYPHCDZEMGTRJ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000360930414 476484786 /nfs/dbraw/zinc/48/47/86/476484786.db2.gz IKIZAFCGWZHOIZ-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000360930416 476484965 /nfs/dbraw/zinc/48/49/65/476484965.db2.gz IKIZAFCGWZHOIZ-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357614389 476490714 /nfs/dbraw/zinc/49/07/14/476490714.db2.gz PXLVGHWGQCHZIL-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CNc1c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000360945261 476493521 /nfs/dbraw/zinc/49/35/21/476493521.db2.gz QVSSZONYLFHIKM-CQSZACIVSA-N 1 0 348.447 2.734 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000360945353 476494046 /nfs/dbraw/zinc/49/40/46/476494046.db2.gz RJBAGTGQQWHAEK-MRXNPFEDSA-N 1 0 331.416 2.542 20 5 EFBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377660845 476505700 /nfs/dbraw/zinc/50/57/00/476505700.db2.gz AELYJWMONLSOQL-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000360962109 476507428 /nfs/dbraw/zinc/50/74/28/476507428.db2.gz XABRQNACUGHJQW-YDHLFZDLSA-N 1 0 335.452 2.961 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCOC1 ZINC000352230139 476568986 /nfs/dbraw/zinc/56/89/86/476568986.db2.gz IFLFCWHYXZHFLF-HNNXBMFYSA-N 1 0 331.372 2.903 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]([NH+]4CCCC4)C3)cc2N1 ZINC000365394660 476571205 /nfs/dbraw/zinc/57/12/05/476571205.db2.gz YMINNWADOOYVNA-AWEZNQCLSA-N 1 0 344.415 2.544 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000357773329 476592999 /nfs/dbraw/zinc/59/29/99/476592999.db2.gz GCNIMLIGRJYRRO-JTQLQIEISA-N 1 0 349.478 2.592 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816670 476593907 /nfs/dbraw/zinc/59/39/07/476593907.db2.gz JVNUKFCIZMPZCI-ZWKOTPCHSA-N 1 0 345.443 2.968 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)n1 ZINC000365504032 476595428 /nfs/dbraw/zinc/59/54/28/476595428.db2.gz AIVWBZWZZYUMMM-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000357777340 476596030 /nfs/dbraw/zinc/59/60/30/476596030.db2.gz HREATCRGWUHBCA-NSHDSACASA-N 1 0 346.387 2.749 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354379126 476623533 /nfs/dbraw/zinc/62/35/33/476623533.db2.gz GPTMHRDYYRDSQT-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000377887828 476629589 /nfs/dbraw/zinc/62/95/89/476629589.db2.gz HAPZCXQTAIOYQA-ZDUSSCGKSA-N 1 0 330.388 2.717 20 5 EFBDRO CNc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361144939 476633529 /nfs/dbraw/zinc/63/35/29/476633529.db2.gz MJLBFHSCHVJBPX-QWHCGFSZSA-N 1 0 334.420 2.629 20 5 EFBDRO CNc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000361144967 476634440 /nfs/dbraw/zinc/63/44/40/476634440.db2.gz MWJIHFOOHVWUPD-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354396726 476635653 /nfs/dbraw/zinc/63/56/53/476635653.db2.gz JQZBSIXFWVOSNI-HUUCEWRRSA-N 1 0 349.431 2.695 20 5 EFBDRO COc1ccc(F)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000361147786 476635848 /nfs/dbraw/zinc/63/58/48/476635848.db2.gz WGNZXJBSLBFJJI-UHFFFAOYSA-N 1 0 334.351 2.776 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000357835759 476639118 /nfs/dbraw/zinc/63/91/18/476639118.db2.gz UJJIJPAOCGNCDS-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354417775 476649796 /nfs/dbraw/zinc/64/97/96/476649796.db2.gz DJSUDGSDYSHQBA-CABCVRRESA-N 1 0 348.447 2.728 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363321235 476651105 /nfs/dbraw/zinc/65/11/05/476651105.db2.gz ONUIDPZGCQNDHZ-ZBFHGGJFSA-N 1 0 346.431 2.756 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+](CC2CC2)CC1 ZINC000352369253 476667563 /nfs/dbraw/zinc/66/75/63/476667563.db2.gz XWKDUIHOKJGWPY-UHFFFAOYSA-N 1 0 326.400 2.851 20 5 EFBDRO COc1ccc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000365727148 476681126 /nfs/dbraw/zinc/68/11/26/476681126.db2.gz XLXPFIDGEPPWEO-MRXNPFEDSA-N 1 0 344.415 2.755 20 5 EFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790874 476692624 /nfs/dbraw/zinc/69/26/24/476692624.db2.gz SDPFGDVRIUTXPY-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000429864773 476705836 /nfs/dbraw/zinc/70/58/36/476705836.db2.gz WTEDJRVWUCIJBS-UONOGXRCSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000413739374 476714206 /nfs/dbraw/zinc/71/42/06/476714206.db2.gz ZGBFLKMUINALNF-CYBMUJFWSA-N 1 0 347.415 2.762 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429917696 476716408 /nfs/dbraw/zinc/71/64/08/476716408.db2.gz BZGLIYNIVVFGBN-UHFFFAOYSA-N 1 0 333.432 2.861 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC4(CC[NH2+]4)CC3)o2)c1 ZINC000422632557 476724086 /nfs/dbraw/zinc/72/40/86/476724086.db2.gz HAUUUZHXCBRZST-UHFFFAOYSA-N 1 0 342.399 2.620 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000429966122 476725790 /nfs/dbraw/zinc/72/57/90/476725790.db2.gz DVUGZIHUBHXSHB-YVEFUNNKSA-N 1 0 343.383 2.556 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000429972728 476726866 /nfs/dbraw/zinc/72/68/66/476726866.db2.gz MIGDFPWYVDPSPQ-LSDHHAIUSA-N 1 0 335.404 2.517 20 5 EFBDRO C[C@H]1[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC12CCOCC2 ZINC000375242763 476735975 /nfs/dbraw/zinc/73/59/75/476735975.db2.gz QFAGJSGAGXSHMX-CYBMUJFWSA-N 1 0 348.399 2.852 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000380978464 476736738 /nfs/dbraw/zinc/73/67/38/476736738.db2.gz YXURUMHLAKACAC-MNOVXSKESA-N 1 0 340.221 2.711 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC1 ZINC000445605328 476752988 /nfs/dbraw/zinc/75/29/88/476752988.db2.gz QMZSLOQLHGUKII-UHFFFAOYSA-N 1 0 326.400 2.975 20 5 EFBDRO COc1cc(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c1C ZINC000422739960 476754035 /nfs/dbraw/zinc/75/40/35/476754035.db2.gz MJCPPJWSBAZYLR-UHFFFAOYSA-N 1 0 335.404 2.693 20 5 EFBDRO O=C(CC[NH+]1CCC2(CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375277123 476754356 /nfs/dbraw/zinc/75/43/56/476754356.db2.gz IQGWFURFZGPLCD-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000413859756 476767529 /nfs/dbraw/zinc/76/75/29/476767529.db2.gz LENQKRZSUCKSRQ-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375316651 476774348 /nfs/dbraw/zinc/77/43/48/476774348.db2.gz YJTWFTTZMYYDMN-QGZVFWFLSA-N 1 0 347.415 2.814 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452024925 476779177 /nfs/dbraw/zinc/77/91/77/476779177.db2.gz ZRNWCSQAMLQMIV-XNRPHZJLSA-N 1 0 335.404 2.777 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199036 476779601 /nfs/dbraw/zinc/77/96/01/476779601.db2.gz AVTYLFINGRKMKL-RHSMWYFYSA-N 1 0 336.388 2.815 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422805707 476785273 /nfs/dbraw/zinc/78/52/73/476785273.db2.gz HDVLHUNQELQURI-GFCCVEGCSA-N 1 0 337.445 2.826 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000430225917 476786211 /nfs/dbraw/zinc/78/62/11/476786211.db2.gz ZMCLELRZVHLEBP-HNNXBMFYSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000422807776 476787371 /nfs/dbraw/zinc/78/73/71/476787371.db2.gz PMVYLRJZIKEUCZ-OAHLLOKOSA-N 1 0 327.384 2.950 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000452038807 476788217 /nfs/dbraw/zinc/78/82/17/476788217.db2.gz YLMFXBWKDGKXCI-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000370392396 476788481 /nfs/dbraw/zinc/78/84/81/476788481.db2.gz YPBMBWXJZCXTGO-OCCSQVGLSA-N 1 0 328.372 2.540 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(F)c1 ZINC000413924408 476793511 /nfs/dbraw/zinc/79/35/11/476793511.db2.gz SCSGYMWPTRXXAT-UHFFFAOYSA-N 1 0 337.307 2.520 20 5 EFBDRO C[C@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452053915 476797942 /nfs/dbraw/zinc/79/79/42/476797942.db2.gz PUEDZFLTGSLSJX-DQADVMEASA-N 1 0 329.400 2.562 20 5 EFBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000422838210 476803638 /nfs/dbraw/zinc/80/36/38/476803638.db2.gz WOQBBGYYNKEVKB-CQSZACIVSA-N 1 0 335.404 2.549 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422850422 476809468 /nfs/dbraw/zinc/80/94/68/476809468.db2.gz DESRXXMVCCPSGX-ONGXEEELSA-N 1 0 343.836 2.584 20 5 EFBDRO COc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000422873101 476822067 /nfs/dbraw/zinc/82/20/67/476822067.db2.gz JZTVNYIUYGBPLO-UHFFFAOYSA-N 1 0 347.415 2.516 20 5 EFBDRO Cc1c(CC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000422891269 476830443 /nfs/dbraw/zinc/83/04/43/476830443.db2.gz UZVBSNUWPPDOIW-ZDUSSCGKSA-N 1 0 327.384 2.782 20 5 EFBDRO Cc1c(NC(=O)CCN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452117089 476836065 /nfs/dbraw/zinc/83/60/65/476836065.db2.gz NOWXFCDKBRSUDO-OAHLLOKOSA-N 1 0 348.447 2.646 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452118653 476836429 /nfs/dbraw/zinc/83/64/29/476836429.db2.gz PCQZUWNUISTADC-HNNXBMFYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370502204 476842494 /nfs/dbraw/zinc/84/24/94/476842494.db2.gz AVGJBDLCBBDWKP-ZDUSSCGKSA-N 1 0 341.367 2.564 20 5 EFBDRO C[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457051353 476847386 /nfs/dbraw/zinc/84/73/86/476847386.db2.gz HZNCBJTXQHBZKU-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000446235377 476849596 /nfs/dbraw/zinc/84/95/96/476849596.db2.gz RXTKDLREIRQXGM-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397346651 476854905 /nfs/dbraw/zinc/85/49/05/476854905.db2.gz SFIIFFHWGLTURS-OUAUKWLOSA-N 1 0 325.796 2.694 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000457065584 476855228 /nfs/dbraw/zinc/85/52/28/476855228.db2.gz YFHHIZQKMNTKRT-UHFFFAOYSA-N 1 0 342.399 2.747 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457084250 476865497 /nfs/dbraw/zinc/86/54/97/476865497.db2.gz GFPOUAPXBXCIJX-CYBMUJFWSA-N 1 0 335.404 2.548 20 5 EFBDRO CSc1cccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000452177186 476870668 /nfs/dbraw/zinc/87/06/68/476870668.db2.gz WVGIIKATFVYXBB-LBPRGKRZSA-N 1 0 349.456 2.873 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000457093757 476871519 /nfs/dbraw/zinc/87/15/19/476871519.db2.gz OFNLEBRWKSAKBG-HNNXBMFYSA-N 1 0 344.415 2.560 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457096608 476873626 /nfs/dbraw/zinc/87/36/26/476873626.db2.gz RAXDLLGTTCJGDC-GXTWGEPZSA-N 1 0 337.395 2.779 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000457102432 476874341 /nfs/dbraw/zinc/87/43/41/476874341.db2.gz ZXHDUEOMNHQWKW-GFCCVEGCSA-N 1 0 330.388 2.631 20 5 EFBDRO CC(C)(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000414272190 476877309 /nfs/dbraw/zinc/87/73/09/476877309.db2.gz XRFJIXLRUAEXHA-HNNXBMFYSA-N 1 0 340.445 2.775 20 5 EFBDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423056128 476908650 /nfs/dbraw/zinc/90/86/50/476908650.db2.gz FBORBUQBWNOFMT-CQSZACIVSA-N 1 0 335.404 2.517 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000430726782 476909170 /nfs/dbraw/zinc/90/91/70/476909170.db2.gz WSQNNTAJJHMJRN-INIZCTEOSA-N 1 0 346.431 2.677 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404268366 476914297 /nfs/dbraw/zinc/91/42/97/476914297.db2.gz IYCKXJXORZQQCH-GXFFZTMASA-N 1 0 325.796 2.838 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000430813485 476921016 /nfs/dbraw/zinc/92/10/16/476921016.db2.gz FAFIMXGJLADPMB-PBHICJAKSA-N 1 0 348.447 2.929 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415414909 476922131 /nfs/dbraw/zinc/92/21/31/476922131.db2.gz GQSRBQVVDZJVFR-JKSUJKDBSA-N 1 0 340.383 2.862 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415429078 476925476 /nfs/dbraw/zinc/92/54/76/476925476.db2.gz ATEXJCALOSPEMP-BDAKNGLRSA-N 1 0 346.309 2.863 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415435407 476927833 /nfs/dbraw/zinc/92/78/33/476927833.db2.gz IKGICVGGRHXGIE-MRVPVSSYSA-N 1 0 334.298 2.863 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000415436476 476927960 /nfs/dbraw/zinc/92/79/60/476927960.db2.gz JURJOHQIHTXCPB-UHFFFAOYSA-N 1 0 332.282 2.567 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415509128 476933318 /nfs/dbraw/zinc/93/33/18/476933318.db2.gz VVUBQOOVSAZUBO-CQSZACIVSA-N 1 0 336.392 2.633 20 5 EFBDRO CCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000430943327 476944428 /nfs/dbraw/zinc/94/44/28/476944428.db2.gz HMUZBOYSBPXTJU-INIZCTEOSA-N 1 0 344.415 2.866 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415659103 476949033 /nfs/dbraw/zinc/94/90/33/476949033.db2.gz OGOWCJQMYXUEEQ-AWEZNQCLSA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415657254 476949055 /nfs/dbraw/zinc/94/90/55/476949055.db2.gz LXXKROPJKHZBIW-BXUZGUMPSA-N 1 0 336.392 2.727 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415659104 476950357 /nfs/dbraw/zinc/95/03/57/476950357.db2.gz OGOWCJQMYXUEEQ-CQSZACIVSA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415661264 476950368 /nfs/dbraw/zinc/95/03/68/476950368.db2.gz QBHRPIPPFVRYGB-RWMBFGLXSA-N 1 0 348.403 2.503 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)n1 ZINC000366338354 476961927 /nfs/dbraw/zinc/96/19/27/476961927.db2.gz DDICJTKFJHWEPQ-HNNXBMFYSA-N 1 0 348.378 2.612 20 5 EFBDRO CCCC[C@@H](C[NH3+])N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297787 476984518 /nfs/dbraw/zinc/98/45/18/476984518.db2.gz LWAPLKMILIUPDP-HOCLYGCPSA-N 1 0 331.420 2.525 20 5 EFBDRO CCCC[C@H](C[NH3+])N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297788 476985545 /nfs/dbraw/zinc/98/55/45/476985545.db2.gz LWAPLKMILIUPDP-ZBFHGGJFSA-N 1 0 331.420 2.525 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000457358247 476987219 /nfs/dbraw/zinc/98/72/19/476987219.db2.gz ASUGRSXDESLCKW-UHFFFAOYSA-N 1 0 337.445 2.906 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2OCO3)n1 ZINC000447541983 477007923 /nfs/dbraw/zinc/00/79/23/477007923.db2.gz NMGNSZLLSXRWMI-ZIAGYGMSSA-N 1 0 344.371 2.794 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNc2ccccn2)n1 ZINC000447575088 477014941 /nfs/dbraw/zinc/01/49/41/477014941.db2.gz QFHFYVKADIOTBA-LSDHHAIUSA-N 1 0 344.419 2.762 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423400851 477019030 /nfs/dbraw/zinc/01/90/30/477019030.db2.gz XHUZZAVPASUGTQ-XJKSGUPXSA-N 1 0 348.447 2.680 20 5 EFBDRO C[C@@H](CCCC[NH3+])N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423420906 477028641 /nfs/dbraw/zinc/02/86/41/477028641.db2.gz BWAWZHMTGZPBJU-XJKSGUPXSA-N 1 0 331.420 2.525 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CC[N@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000447674313 477033356 /nfs/dbraw/zinc/03/33/56/477033356.db2.gz BMMIJOZCNGDZLS-ZDUSSCGKSA-N 1 0 329.404 2.569 20 5 EFBDRO CCC[C@@H](C)C(=O)NCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000431493037 477039517 /nfs/dbraw/zinc/03/95/17/477039517.db2.gz ABCRLCGKCIDXQB-GFCCVEGCSA-N 1 0 344.415 2.838 20 5 EFBDRO Cn1ccnc1[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423478768 477042434 /nfs/dbraw/zinc/04/24/34/477042434.db2.gz LKAGKPKQEIDDMJ-DOTOQJQBSA-N 1 0 343.431 2.540 20 5 EFBDRO CC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000447807489 477062852 /nfs/dbraw/zinc/06/28/52/477062852.db2.gz RWWIPXXCMITETJ-UHFFFAOYSA-N 1 0 341.795 2.931 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423528368 477063063 /nfs/dbraw/zinc/06/30/63/477063063.db2.gz NWNKGYZLYJSKKM-GDLCADMTSA-N 1 0 335.429 2.516 20 5 EFBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000375892896 477066133 /nfs/dbraw/zinc/06/61/33/477066133.db2.gz RFSDCXNIFFJLGP-WBVHZDCISA-N 1 0 343.358 2.562 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423533935 477066810 /nfs/dbraw/zinc/06/68/10/477066810.db2.gz UUBULUSZTHKXEL-UWVGGRQHSA-N 1 0 343.836 2.536 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000370990408 477070871 /nfs/dbraw/zinc/07/08/71/477070871.db2.gz DAQJYZYGXQGUGS-UONOGXRCSA-N 1 0 344.371 2.503 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375903509 477072992 /nfs/dbraw/zinc/07/29/92/477072992.db2.gz SFAOZMTZHICJBD-NHYWBVRUSA-N 1 0 337.807 2.947 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423590632 477078144 /nfs/dbraw/zinc/07/81/44/477078144.db2.gz DZZCOFXKZLHYDK-LLVKDONJSA-N 1 0 341.386 2.548 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423620600 477090402 /nfs/dbraw/zinc/09/04/02/477090402.db2.gz WVGIRMMHFCNCCA-LBPRGKRZSA-N 1 0 337.445 2.908 20 5 EFBDRO Cc1cc(C(=O)N(C)Cc2cn3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000375944676 477094939 /nfs/dbraw/zinc/09/49/39/477094939.db2.gz BIDCCIMQRGHAQH-UHFFFAOYSA-N 1 0 328.372 2.708 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423636725 477095989 /nfs/dbraw/zinc/09/59/89/477095989.db2.gz GPYKWOLKQDYXMU-KRWDZBQOSA-N 1 0 349.456 2.923 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000366612335 477097093 /nfs/dbraw/zinc/09/70/93/477097093.db2.gz YTTAPDACHSYYFP-CJNGLKHVSA-N 1 0 330.388 2.883 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423651006 477099103 /nfs/dbraw/zinc/09/91/03/477099103.db2.gz MMFJWMPGJXQQPQ-DZGCQCFKSA-N 1 0 349.456 2.825 20 5 EFBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000411057873 477100103 /nfs/dbraw/zinc/10/01/03/477100103.db2.gz KTEPFWSIVHGARO-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000411108536 477116053 /nfs/dbraw/zinc/11/60/53/477116053.db2.gz DKUZGKYXJKHYBI-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000457640074 477120495 /nfs/dbraw/zinc/12/04/95/477120495.db2.gz YLRPQQXYCVLIII-UHFFFAOYSA-N 1 0 343.427 2.744 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423717399 477120926 /nfs/dbraw/zinc/12/09/26/477120926.db2.gz JUDZHHKGTVLXCU-HOTGVXAUSA-N 1 0 345.443 2.982 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOC[C@@H](C)C1 ZINC000371099897 477123782 /nfs/dbraw/zinc/12/37/82/477123782.db2.gz MRQPWJXEPFXGTM-WDEREUQCSA-N 1 0 341.795 2.544 20 5 EFBDRO CCCn1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000376034871 477141767 /nfs/dbraw/zinc/14/17/67/477141767.db2.gz NQTPDDOUIUQSNU-UHFFFAOYSA-N 1 0 346.435 2.852 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000432044212 477142756 /nfs/dbraw/zinc/14/27/56/477142756.db2.gz AMSXISUBVUFPRN-GJZGRUSLSA-N 1 0 349.431 2.613 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411197533 477149128 /nfs/dbraw/zinc/14/91/28/477149128.db2.gz YDTLUEFXGSSWEV-ZWKOTPCHSA-N 1 0 345.443 2.937 20 5 EFBDRO COc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000457708211 477155920 /nfs/dbraw/zinc/15/59/20/477155920.db2.gz YUYAIEGCKIXMRN-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO C[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423835787 477177606 /nfs/dbraw/zinc/17/76/06/477177606.db2.gz DUQCZUXDILUOAO-NEPJUHHUSA-N 1 0 339.823 2.890 20 5 EFBDRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411285967 477182659 /nfs/dbraw/zinc/18/26/59/477182659.db2.gz WDZUZQDRRJUYEK-INIZCTEOSA-N 1 0 335.404 2.670 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423849828 477184171 /nfs/dbraw/zinc/18/41/71/477184171.db2.gz QMGVLZHSHVIAHC-BLLLJJGKSA-N 1 0 337.807 2.644 20 5 EFBDRO C[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000423854908 477187687 /nfs/dbraw/zinc/18/76/87/477187687.db2.gz WGJNGLAXIMIIBA-NSHDSACASA-N 1 0 339.823 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453192123 477188531 /nfs/dbraw/zinc/18/85/31/477188531.db2.gz ITNYOVPEGYKYEN-MRXNPFEDSA-N 1 0 338.429 2.537 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432310538 477191568 /nfs/dbraw/zinc/19/15/68/477191568.db2.gz BVEDRKSLLBNQNI-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432339579 477197968 /nfs/dbraw/zinc/19/79/68/477197968.db2.gz SYTQZOYMKGCHSZ-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432339193 477197981 /nfs/dbraw/zinc/19/79/81/477197981.db2.gz ZRVWZRURLCSBRU-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO COc1nccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453245586 477198351 /nfs/dbraw/zinc/19/83/51/477198351.db2.gz IEZZYQFYVYUDGX-HNNXBMFYSA-N 1 0 328.372 2.504 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448600228 477208901 /nfs/dbraw/zinc/20/89/01/477208901.db2.gz DYPUSLQNXHEHRJ-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000453365909 477214427 /nfs/dbraw/zinc/21/44/27/477214427.db2.gz WQCSQBWTAIGUDC-CWRNSKLLSA-N 1 0 349.431 2.507 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453360409 477214829 /nfs/dbraw/zinc/21/48/29/477214829.db2.gz KLLIETGFVAVZTL-KSSFIOAISA-N 1 0 347.415 2.814 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376205873 477227257 /nfs/dbraw/zinc/22/72/57/477227257.db2.gz ULIYWCDGRPXVFF-UKRRQHHQSA-N 1 0 347.415 2.835 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000457843627 477227832 /nfs/dbraw/zinc/22/78/32/477227832.db2.gz BKJRACINQLKBJE-BBRMVZONSA-N 1 0 334.420 2.780 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423945353 477228199 /nfs/dbraw/zinc/22/81/99/477228199.db2.gz AUTRXKXSHRWDIE-GWCFXTLKSA-N 1 0 325.434 2.565 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000411417143 477228200 /nfs/dbraw/zinc/22/82/00/477228200.db2.gz DXBUAVODJKEPFS-DFEHZGFQSA-N 1 0 345.443 2.935 20 5 EFBDRO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000457847713 477228332 /nfs/dbraw/zinc/22/83/32/477228332.db2.gz IWLVZIKCGDNWMY-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000411426129 477231257 /nfs/dbraw/zinc/23/12/57/477231257.db2.gz MJMGIGHCKLPEOJ-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000423958570 477234008 /nfs/dbraw/zinc/23/40/08/477234008.db2.gz DRLARDMWECTUQP-GOSISDBHSA-N 1 0 341.411 2.906 20 5 EFBDRO CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316311 477237420 /nfs/dbraw/zinc/23/74/20/477237420.db2.gz CRHFGLANERJBGN-NUEKZKHPSA-N 1 0 349.431 2.507 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000423969856 477237848 /nfs/dbraw/zinc/23/78/48/477237848.db2.gz FGFOYFYWAHTLMH-MRXNPFEDSA-N 1 0 327.384 2.516 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366882720 477238610 /nfs/dbraw/zinc/23/86/10/477238610.db2.gz LYUKQCCUYXHVQQ-UHFFFAOYSA-N 1 0 332.404 2.935 20 5 EFBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000424000241 477254150 /nfs/dbraw/zinc/25/41/50/477254150.db2.gz OAWDSROGXVEKQP-SFHVURJKSA-N 1 0 339.395 2.944 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424000344 477254644 /nfs/dbraw/zinc/25/46/44/477254644.db2.gz BOXKYSHHGOUZMU-UWVGGRQHSA-N 1 0 345.321 2.671 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000366921070 477257321 /nfs/dbraw/zinc/25/73/21/477257321.db2.gz DODPDHDJYYXCKL-WSSFADSRSA-N 1 0 340.379 2.868 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424010287 477260446 /nfs/dbraw/zinc/26/04/46/477260446.db2.gz IIMSYNJYWBXUNF-RWMBFGLXSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424010285 477260465 /nfs/dbraw/zinc/26/04/65/477260465.db2.gz IIMSYNJYWBXUNF-AVGNSLFASA-N 1 0 337.445 2.519 20 5 EFBDRO C[NH2+]CCCN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424024699 477265366 /nfs/dbraw/zinc/26/53/66/477265366.db2.gz XPVGXCSLXXRWAR-UHFFFAOYSA-N 1 0 341.386 2.502 20 5 EFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000432863416 477280690 /nfs/dbraw/zinc/28/06/90/477280690.db2.gz DGVLNYMMCBPSSW-GFCCVEGCSA-N 1 0 341.383 2.655 20 5 EFBDRO CN(CCN1CCOC(C)(C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432927567 477286500 /nfs/dbraw/zinc/28/65/00/477286500.db2.gz IKOQUCYAPKFKJC-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000366998524 477290755 /nfs/dbraw/zinc/29/07/55/477290755.db2.gz XBYNOQKSUXYJCG-KRWDZBQOSA-N 1 0 334.322 2.967 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(C4CC4)CCOCC3)n2)c1 ZINC000367017098 477300196 /nfs/dbraw/zinc/30/01/96/477300196.db2.gz UORWYHCMKOEDRW-UHFFFAOYSA-N 1 0 344.371 2.694 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000458169490 477300435 /nfs/dbraw/zinc/30/04/35/477300435.db2.gz OJNRTNKHTKYYJY-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000458185201 477310270 /nfs/dbraw/zinc/31/02/70/477310270.db2.gz GVUJFYXMNWYAAF-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458206239 477319581 /nfs/dbraw/zinc/31/95/81/477319581.db2.gz ITAOSKBCWQKFDQ-OAHLLOKOSA-N 1 0 333.432 2.982 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433280892 477320560 /nfs/dbraw/zinc/32/05/60/477320560.db2.gz GIXAEPOPNSPNEA-BLLLJJGKSA-N 1 0 331.416 2.916 20 5 EFBDRO CSc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424220149 477335054 /nfs/dbraw/zinc/33/50/54/477335054.db2.gz CVSKNFVBZIPCQZ-GFCCVEGCSA-N 1 0 349.456 2.921 20 5 EFBDRO Cc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469950 477339083 /nfs/dbraw/zinc/33/90/83/477339083.db2.gz HKWLWPSLEIIHCH-JFIYKMOQSA-N 1 0 333.432 2.587 20 5 EFBDRO Cc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000371469951 477339793 /nfs/dbraw/zinc/33/97/93/477339793.db2.gz HKWLWPSLEIIHCH-LZLYRXPVSA-N 1 0 333.432 2.587 20 5 EFBDRO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458311038 477346730 /nfs/dbraw/zinc/34/67/30/477346730.db2.gz GXRIQTGLBAIYSV-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO COC(=O)CC1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000424277595 477353480 /nfs/dbraw/zinc/35/34/80/477353480.db2.gz HCTZYZVXDHIIFK-UHFFFAOYSA-N 1 0 326.780 2.722 20 5 EFBDRO Cc1ncsc1CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000435739305 477363013 /nfs/dbraw/zinc/36/30/13/477363013.db2.gz WPMLJOVXXTTZGU-AWEZNQCLSA-N 1 0 346.456 2.971 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000367157968 477369425 /nfs/dbraw/zinc/36/94/25/477369425.db2.gz GQNMWSAROXRGGS-AWEZNQCLSA-N 1 0 332.429 2.797 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448981587 477369815 /nfs/dbraw/zinc/36/98/15/477369815.db2.gz UIHWKVBZTFNGSQ-SNVBAGLBSA-N 1 0 345.321 2.780 20 5 EFBDRO COc1cc(OCc2nc(C3([NH3+])CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424348878 477378009 /nfs/dbraw/zinc/37/80/09/477378009.db2.gz UWOCJWVCCSPDEE-UHFFFAOYSA-N 1 0 348.359 2.684 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411813220 477378260 /nfs/dbraw/zinc/37/82/60/477378260.db2.gz DCMWZVCKMHCXDL-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411967862 477400064 /nfs/dbraw/zinc/40/00/64/477400064.db2.gz IVFFARVODHIYCE-SJCJKPOMSA-N 1 0 335.404 2.717 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000436060439 477414022 /nfs/dbraw/zinc/41/40/22/477414022.db2.gz NNWBGGQFGGAOQX-IBGZPJMESA-N 1 0 349.434 2.751 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449075752 477423819 /nfs/dbraw/zinc/42/38/19/477423819.db2.gz WADBOBRXTCBGJV-CYBMUJFWSA-N 1 0 327.384 2.675 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449084551 477430050 /nfs/dbraw/zinc/43/00/50/477430050.db2.gz HZPQWSUAJQQPDH-OAHLLOKOSA-N 1 0 341.411 2.854 20 5 EFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449093204 477434104 /nfs/dbraw/zinc/43/41/04/477434104.db2.gz WQINKXSTBHWKAS-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000449131434 477451802 /nfs/dbraw/zinc/45/18/02/477451802.db2.gz MQDLDHMSTRYHBV-MRXNPFEDSA-N 1 0 347.459 2.760 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccs1 ZINC000449140912 477456652 /nfs/dbraw/zinc/45/66/52/477456652.db2.gz OVBVRYHFGXXBCO-ZDUSSCGKSA-N 1 0 347.440 2.997 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458509312 477457872 /nfs/dbraw/zinc/45/78/72/477457872.db2.gz PDPTXTCSSZOVIR-CABCVRRESA-N 1 0 348.447 2.995 20 5 EFBDRO O=c1ccn(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000413001011 477468919 /nfs/dbraw/zinc/46/89/19/477468919.db2.gz QHWVVQCMGAYTEI-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418348052 477471182 /nfs/dbraw/zinc/47/11/82/477471182.db2.gz QYSNGVNZBPRQLI-UONOGXRCSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000449177423 477471380 /nfs/dbraw/zinc/47/13/80/477471380.db2.gz VKSYRQKXJPAKRD-GOEBONIOSA-N 1 0 343.431 2.518 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000449188047 477477043 /nfs/dbraw/zinc/47/70/43/477477043.db2.gz NCFBJXPRRBYQJJ-QRTARXTBSA-N 1 0 344.415 2.558 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449204850 477485717 /nfs/dbraw/zinc/48/57/17/477485717.db2.gz JVCGFUCZSLDBHK-CABCVRRESA-N 1 0 345.443 2.721 20 5 EFBDRO C[C@@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000449208849 477486553 /nfs/dbraw/zinc/48/65/53/477486553.db2.gz PSMMSDOSAOHESA-AUUYWEPGSA-N 1 0 339.395 2.703 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000455092216 477495321 /nfs/dbraw/zinc/49/53/21/477495321.db2.gz JMFVRHBFSHYPOD-IHRRRGAJSA-N 1 0 334.420 2.780 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000455092217 477495410 /nfs/dbraw/zinc/49/54/10/477495410.db2.gz JMFVRHBFSHYPOD-MCIONIFRSA-N 1 0 334.420 2.780 20 5 EFBDRO COCC[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413087701 477509726 /nfs/dbraw/zinc/50/97/26/477509726.db2.gz VMKPUDSXVYNOTB-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449263660 477513494 /nfs/dbraw/zinc/51/34/94/477513494.db2.gz LWSLXOYSGNCSRI-KMFMINBZSA-N 1 0 344.415 2.862 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000449289731 477526665 /nfs/dbraw/zinc/52/66/65/477526665.db2.gz VBVZUGLCCNERIC-GJZGRUSLSA-N 1 0 348.447 2.729 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000449288960 477526805 /nfs/dbraw/zinc/52/68/05/477526805.db2.gz PNPCXDYJYABFIP-HOCLYGCPSA-N 1 0 343.431 2.518 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000458688395 477548736 /nfs/dbraw/zinc/54/87/36/477548736.db2.gz JEMVAQPAVSEAHC-SFHVURJKSA-N 1 0 346.431 2.531 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371910136 477553118 /nfs/dbraw/zinc/55/31/18/477553118.db2.gz DNXPAEBAPCXIBF-ZIAGYGMSSA-N 1 0 332.404 2.960 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449585452 477568335 /nfs/dbraw/zinc/56/83/35/477568335.db2.gz FDABNZFNCJEWQX-QWHCGFSZSA-N 1 0 342.399 2.672 20 5 EFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449597119 477568579 /nfs/dbraw/zinc/56/85/79/477568579.db2.gz CZXOYGSRRHAQET-OAHLLOKOSA-N 1 0 342.399 2.674 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449636950 477569158 /nfs/dbraw/zinc/56/91/58/477569158.db2.gz FOJYBJDGYOFYBL-YNEHKIRRSA-N 1 0 337.445 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(C4CC4)CCOCC3)o2)cc1 ZINC000367567082 477577713 /nfs/dbraw/zinc/57/77/13/477577713.db2.gz UCGIPMAJKMUKKW-UHFFFAOYSA-N 1 0 344.371 2.694 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413223965 477578036 /nfs/dbraw/zinc/57/80/36/477578036.db2.gz DXTLXQKCXVMZDC-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1c(C(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000419888999 477584467 /nfs/dbraw/zinc/58/44/67/477584467.db2.gz GPFKIEGKRCXHRN-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000450415499 477593706 /nfs/dbraw/zinc/59/37/06/477593706.db2.gz BLDTVTFNHQGJHO-NWDGAFQWSA-N 1 0 330.388 2.680 20 5 EFBDRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450484230 477604603 /nfs/dbraw/zinc/60/46/03/477604603.db2.gz LMIMXLUBJHKFMM-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372062037 477620749 /nfs/dbraw/zinc/62/07/49/477620749.db2.gz CRSBWXPBMDMBNM-ZIAGYGMSSA-N 1 0 332.404 2.960 20 5 EFBDRO C[C@@H]1CC(=O)NCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000367672245 477628959 /nfs/dbraw/zinc/62/89/59/477628959.db2.gz QXFHYDWGTVMIJP-GFCCVEGCSA-N 1 0 329.356 2.565 20 5 EFBDRO O=C(c1cc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420190209 477633062 /nfs/dbraw/zinc/63/30/62/477633062.db2.gz GXFWRRAGSCDQGY-AWEZNQCLSA-N 1 0 346.431 2.632 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450599664 477649360 /nfs/dbraw/zinc/64/93/60/477649360.db2.gz TYTAIAMONFUAHO-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269231 477655528 /nfs/dbraw/zinc/65/55/28/477655528.db2.gz ZVSJNTAREAIBNU-LRDDRELGSA-N 1 0 341.415 2.924 20 5 EFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])cc1Br ZINC000420275841 477657914 /nfs/dbraw/zinc/65/79/14/477657914.db2.gz HBRKHPPWPYJDQZ-AYBYRNOTSA-N 1 0 341.209 2.680 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155900 477666531 /nfs/dbraw/zinc/66/65/31/477666531.db2.gz HUODNRREKIPRTJ-ZNMIVQPWSA-N 1 0 347.415 2.589 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372157764 477668150 /nfs/dbraw/zinc/66/81/50/477668150.db2.gz QTENADPYHCSTKX-GJZGRUSLSA-N 1 0 347.415 2.590 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367774489 477684246 /nfs/dbraw/zinc/68/42/46/477684246.db2.gz ZZODHRUEMPZZMB-GFCCVEGCSA-N 1 0 325.796 2.913 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450702191 477690067 /nfs/dbraw/zinc/69/00/67/477690067.db2.gz QFIVCOHZBZSGTC-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437278801 477690806 /nfs/dbraw/zinc/69/08/06/477690806.db2.gz VXIHDUFHGCYZHW-SNVBAGLBSA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1cn2c(n1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372226152 477703301 /nfs/dbraw/zinc/70/33/01/477703301.db2.gz QMWPJTDBSAWODK-LBPRGKRZSA-N 1 0 329.360 2.799 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420384237 477736692 /nfs/dbraw/zinc/73/66/92/477736692.db2.gz GGAYRVDYSVVCJX-XJKSGUPXSA-N 1 0 333.338 2.800 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000372293453 477739888 /nfs/dbraw/zinc/73/98/88/477739888.db2.gz DTYIYKNEIQUBMJ-HIFRSBDPSA-N 1 0 347.415 2.813 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000426877842 477755952 /nfs/dbraw/zinc/75/59/52/477755952.db2.gz AKUJSGXGKFRJPK-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000426915781 477759781 /nfs/dbraw/zinc/75/97/81/477759781.db2.gz HIDSECLTVURSMD-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000426928049 477760339 /nfs/dbraw/zinc/76/03/39/477760339.db2.gz XFXJEUHOVXVODR-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[NH+]1CCC(N2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)CC1 ZINC000420621575 477760404 /nfs/dbraw/zinc/76/04/04/477760404.db2.gz DGFAJSDVEILSDS-UHFFFAOYSA-N 1 0 346.475 2.900 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000427847829 477780766 /nfs/dbraw/zinc/78/07/66/477780766.db2.gz KWEOTSBJHHEGLF-QWHCGFSZSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000437984753 477783221 /nfs/dbraw/zinc/78/32/21/477783221.db2.gz KCPWOWHGLLFHAD-ZFWWWQNUSA-N 1 0 346.431 2.752 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456178120 477809505 /nfs/dbraw/zinc/80/95/05/477809505.db2.gz ZRTVKJUNVRXSLP-UHFFFAOYSA-N 1 0 346.431 2.855 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000438253484 477812588 /nfs/dbraw/zinc/81/25/88/477812588.db2.gz DWZZZGKSRDIFBG-OAHLLOKOSA-N 1 0 349.475 2.995 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000456204327 477817735 /nfs/dbraw/zinc/81/77/35/477817735.db2.gz OIDOBNHXYVWGFJ-UHFFFAOYSA-N 1 0 336.436 2.633 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451100436 477824291 /nfs/dbraw/zinc/82/42/91/477824291.db2.gz TZWIWBRZXJGVRT-ZDUSSCGKSA-N 1 0 345.374 2.743 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000428177777 477834196 /nfs/dbraw/zinc/83/41/96/477834196.db2.gz RJMIOQYFTHAKNK-ZFWWWQNUSA-N 1 0 343.387 2.565 20 5 EFBDRO CC[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000493819329 477841637 /nfs/dbraw/zinc/84/16/37/477841637.db2.gz MQESFAODTAYTGG-CHWSQXEVSA-N 1 0 341.839 2.525 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000438524870 477858313 /nfs/dbraw/zinc/85/83/13/477858313.db2.gz WUKCZAQXXVGPGS-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451168527 477858554 /nfs/dbraw/zinc/85/85/54/477858554.db2.gz VWVYOQBRXYRTGO-QGZVFWFLSA-N 1 0 344.411 2.817 20 5 EFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420959683 477858735 /nfs/dbraw/zinc/85/87/35/477858735.db2.gz QOBSPULAFDDVJJ-OKILXGFUSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451173520 477859354 /nfs/dbraw/zinc/85/93/54/477859354.db2.gz ZJVGRSKMWWHFCX-GOSISDBHSA-N 1 0 344.411 2.817 20 5 EFBDRO Cc1ccccc1CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451173521 477859891 /nfs/dbraw/zinc/85/98/91/477859891.db2.gz ZJVGRSKMWWHFCX-SFHVURJKSA-N 1 0 344.411 2.817 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000558411623 477863556 /nfs/dbraw/zinc/86/35/56/477863556.db2.gz JWQHBSUVKJUHAU-IPJVVFLOSA-N 1 0 345.443 2.793 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418473 477865626 /nfs/dbraw/zinc/86/56/26/477865626.db2.gz HDCUNLKTKNOEDL-GJZGRUSLSA-N 1 0 348.447 2.632 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456341428 477873203 /nfs/dbraw/zinc/87/32/03/477873203.db2.gz FKGILVPUSYPXGN-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000451223147 477887022 /nfs/dbraw/zinc/88/70/22/477887022.db2.gz PWHMQOGSSPFYEU-IYBDPMFKSA-N 1 0 333.432 2.671 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000438837844 477892125 /nfs/dbraw/zinc/89/21/25/477892125.db2.gz TYIOSRQFQSXZSV-XJKSGUPXSA-N 1 0 333.432 2.777 20 5 EFBDRO CC1(C)OCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451242527 477897812 /nfs/dbraw/zinc/89/78/12/477897812.db2.gz MTCYFDZHYSAXRS-OAHLLOKOSA-N 1 0 331.372 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@]34CCOC4)o2)c1 ZINC000421011327 477898037 /nfs/dbraw/zinc/89/80/37/477898037.db2.gz DKNVSWPNOVNPJJ-QGZVFWFLSA-N 1 0 329.356 2.657 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H](C)CC[NH+](C)C ZINC000462383297 477901571 /nfs/dbraw/zinc/90/15/71/477901571.db2.gz DUOBSOMYYQBYDK-JTQLQIEISA-N 1 0 327.356 2.663 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCC[C@H]1O ZINC000428466979 477905136 /nfs/dbraw/zinc/90/51/36/477905136.db2.gz WOBCBNNRRFLIIX-CHWSQXEVSA-N 1 0 330.331 2.932 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070149 477916190 /nfs/dbraw/zinc/91/61/90/477916190.db2.gz VGKSWBVMKXZVBB-KSSFIOAISA-N 1 0 339.395 2.988 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](CCO)CC3)n2)cc1 ZINC000421024469 477916560 /nfs/dbraw/zinc/91/65/60/477916560.db2.gz XJNHTJAMDHHPGX-CYBMUJFWSA-N 1 0 346.387 2.629 20 5 EFBDRO CO[C@@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462820569 477919939 /nfs/dbraw/zinc/91/99/39/477919939.db2.gz OKBLXGSYYMNFQK-SJCJKPOMSA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428533366 477922082 /nfs/dbraw/zinc/92/20/82/477922082.db2.gz GXDSZEFHRFVDDF-SJLPKXTDSA-N 1 0 330.359 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](CCO)CC3)n2)c1 ZINC000421041952 477928139 /nfs/dbraw/zinc/92/81/39/477928139.db2.gz OYUFPUPLWVNTQX-CYBMUJFWSA-N 1 0 346.387 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)F)o2)cc1 ZINC000428652219 477949436 /nfs/dbraw/zinc/94/94/36/477949436.db2.gz RTDSFACPQLQFMF-LLVKDONJSA-N 1 0 326.299 2.961 20 5 EFBDRO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000559350588 477979582 /nfs/dbraw/zinc/97/95/82/477979582.db2.gz REUFTQJEXZUVQC-CYBMUJFWSA-N 1 0 331.416 2.689 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439525140 477997575 /nfs/dbraw/zinc/99/75/75/477997575.db2.gz NTFIQDYMQAUCEH-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494500128 477998956 /nfs/dbraw/zinc/99/89/56/477998956.db2.gz CDOBUSFKAGTGHW-JSGCOSHPSA-N 1 0 336.779 2.602 20 5 EFBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCCCC1 ZINC000532900902 478004768 /nfs/dbraw/zinc/00/47/68/478004768.db2.gz SHLSHKAEUGMJAY-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459615506 478011277 /nfs/dbraw/zinc/01/12/77/478011277.db2.gz PDNNYINCHKCHNL-CZUORRHYSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459615508 478011749 /nfs/dbraw/zinc/01/17/49/478011749.db2.gz PDNNYINCHKCHNL-XJKSGUPXSA-N 1 0 340.445 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000451428276 478012824 /nfs/dbraw/zinc/01/28/24/478012824.db2.gz YBLPBLRKHZVSSS-LYRGGWFBSA-N 1 0 326.343 2.998 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439650012 478013852 /nfs/dbraw/zinc/01/38/52/478013852.db2.gz REXSYVFHTJSHKM-DANNLKNASA-N 1 0 347.415 2.715 20 5 EFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000428989226 478021912 /nfs/dbraw/zinc/02/19/12/478021912.db2.gz BYNDGVLRJNQVMV-CKEIUWERSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004534 478031342 /nfs/dbraw/zinc/03/13/42/478031342.db2.gz ZUQBPIACVWRAIY-RVKKMQEKSA-N 1 0 333.432 2.636 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004537 478032609 /nfs/dbraw/zinc/03/26/09/478032609.db2.gz ZUQBPIACVWRAIY-VKJFTORMSA-N 1 0 333.432 2.636 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451474149 478035504 /nfs/dbraw/zinc/03/55/04/478035504.db2.gz ADSFIHMYGJUBFZ-JLZZUVOBSA-N 1 0 347.415 2.635 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451476054 478037505 /nfs/dbraw/zinc/03/75/05/478037505.db2.gz DSBKYJBLBSTTOD-JKSUJKDBSA-N 1 0 347.415 2.861 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000439875314 478041914 /nfs/dbraw/zinc/04/19/14/478041914.db2.gz RZIXGNBBZOGOFL-NEPJUHHUSA-N 1 0 336.392 2.598 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000439888674 478043024 /nfs/dbraw/zinc/04/30/24/478043024.db2.gz MHWFSRDMFZWLJS-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)nc1 ZINC000517062717 478044092 /nfs/dbraw/zinc/04/40/92/478044092.db2.gz UCFNWNJPQHRNIF-KRWDZBQOSA-N 1 0 338.411 2.891 20 5 EFBDRO CCCN1C[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421346292 478044148 /nfs/dbraw/zinc/04/41/48/478044148.db2.gz CKIYMFCVYOWFNJ-SBNBMVPLSA-N 1 0 331.416 2.846 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)C1CC1 ZINC000439893949 478045339 /nfs/dbraw/zinc/04/53/39/478045339.db2.gz ZBPFNRWMIVCFQS-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000429033002 478045766 /nfs/dbraw/zinc/04/57/66/478045766.db2.gz YWNKRZNPSBQPAS-IGCXYCKISA-N 1 0 343.431 2.633 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000429033005 478046123 /nfs/dbraw/zinc/04/61/23/478046123.db2.gz YWNKRZNPSBQPAS-XNJGSVPQSA-N 1 0 343.431 2.633 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421350071 478046745 /nfs/dbraw/zinc/04/67/45/478046745.db2.gz KIYOQUWDJFARTR-CABCVRRESA-N 1 0 333.432 2.764 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421350077 478046992 /nfs/dbraw/zinc/04/69/92/478046992.db2.gz KIYOQUWDJFARTR-HUUCEWRRSA-N 1 0 333.432 2.764 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451490468 478047986 /nfs/dbraw/zinc/04/79/86/478047986.db2.gz IBNDXISRDBHVHD-QWHCGFSZSA-N 1 0 341.795 2.590 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504090 478055239 /nfs/dbraw/zinc/05/52/39/478055239.db2.gz JLAKDYTWOMFCLK-COLVAYQJSA-N 1 0 346.387 2.794 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000451508693 478059129 /nfs/dbraw/zinc/05/91/29/478059129.db2.gz LSGWLZBWZWQYRM-LSDHHAIUSA-N 1 0 330.388 2.664 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1(O)CCC1 ZINC000421372151 478059777 /nfs/dbraw/zinc/05/97/77/478059777.db2.gz KLLYMZADZFKJAF-CYBMUJFWSA-N 1 0 335.404 2.597 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000459728093 478061608 /nfs/dbraw/zinc/06/16/08/478061608.db2.gz CRQMRXLSQUCBHT-CVEARBPZSA-N 1 0 336.388 2.659 20 5 EFBDRO Cc1c(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000429136306 478064783 /nfs/dbraw/zinc/06/47/83/478064783.db2.gz PYPUHNKVLDFHQF-UHFFFAOYSA-N 1 0 346.431 2.577 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000459749338 478072152 /nfs/dbraw/zinc/07/21/52/478072152.db2.gz MGTUSUGHBFJYIR-MRXNPFEDSA-N 1 0 330.384 2.778 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000517245060 478072563 /nfs/dbraw/zinc/07/25/63/478072563.db2.gz QQZIZCHLVISDRQ-DOTOQJQBSA-N 1 0 333.432 2.761 20 5 EFBDRO CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451539337 478073537 /nfs/dbraw/zinc/07/35/37/478073537.db2.gz KARXKNFMDJRKSG-HEHGZKQESA-N 1 0 335.404 2.669 20 5 EFBDRO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543194 478077764 /nfs/dbraw/zinc/07/77/64/478077764.db2.gz BGGMGNQEUSWRSW-WMZOPIPTSA-N 1 0 336.432 2.950 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429197331 478078716 /nfs/dbraw/zinc/07/87/16/478078716.db2.gz OKPZSWLXAWGPDF-TYNCELHUSA-N 1 0 337.445 2.661 20 5 EFBDRO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543192 478078899 /nfs/dbraw/zinc/07/88/99/478078899.db2.gz BGGMGNQEUSWRSW-FUHWJXTLSA-N 1 0 336.432 2.950 20 5 EFBDRO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cn2c1 ZINC000487869862 478080975 /nfs/dbraw/zinc/08/09/75/478080975.db2.gz KULGRJUQHARBPB-UHFFFAOYSA-N 1 0 334.335 2.914 20 5 EFBDRO O=C1CC[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1 ZINC000451546729 478082205 /nfs/dbraw/zinc/08/22/05/478082205.db2.gz JMVPXSVVKWPWKZ-HOCLYGCPSA-N 1 0 331.416 2.691 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549694 478085314 /nfs/dbraw/zinc/08/53/14/478085314.db2.gz QGAKCFUJMIFHTA-RHSMWYFYSA-N 1 0 329.400 2.538 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccn(C)n1 ZINC000459779449 478086190 /nfs/dbraw/zinc/08/61/90/478086190.db2.gz FWQQGVPOVIKUMS-GFCCVEGCSA-N 1 0 341.371 2.877 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451555543 478092030 /nfs/dbraw/zinc/09/20/30/478092030.db2.gz BYKHEBXXJRBGII-WBMJQRKESA-N 1 0 335.404 2.589 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459794692 478096834 /nfs/dbraw/zinc/09/68/34/478096834.db2.gz WUULNVJUDDGKQL-RFHZTLPTSA-N 1 0 333.388 2.709 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451573495 478103813 /nfs/dbraw/zinc/10/38/13/478103813.db2.gz REKMKNFHWYRJBX-BBRMVZONSA-N 1 0 335.404 2.589 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000451596367 478114878 /nfs/dbraw/zinc/11/48/78/478114878.db2.gz FUNYVOMJJOCQEZ-CRAIPNDOSA-N 1 0 334.416 2.880 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000534021615 478122936 /nfs/dbraw/zinc/12/29/36/478122936.db2.gz ZZAJAVNSRAIVGY-NVXWUHKLSA-N 1 0 336.388 2.685 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000451623373 478129550 /nfs/dbraw/zinc/12/95/50/478129550.db2.gz LPMNGTIFBSKRTB-ZYHUDNBSSA-N 1 0 346.330 2.862 20 5 EFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451632295 478134260 /nfs/dbraw/zinc/13/42/60/478134260.db2.gz NUVLGXGIBKNXLJ-OWYVNGRQSA-N 1 0 341.795 2.732 20 5 EFBDRO Cn1cc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000518062733 478142559 /nfs/dbraw/zinc/14/25/59/478142559.db2.gz HWTSTQHPNFXTAB-KRWDZBQOSA-N 1 0 344.415 2.833 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440681307 478150310 /nfs/dbraw/zinc/15/03/10/478150310.db2.gz TZMJXPITPDPZPB-UHFFFAOYSA-N 1 0 340.855 2.995 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429544928 478151451 /nfs/dbraw/zinc/15/14/51/478151451.db2.gz BIPUJGZHGVHFLB-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO Cc1cccc2c1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000429584921 478160321 /nfs/dbraw/zinc/16/03/21/478160321.db2.gz HKUILMKVZKQLNR-MRXNPFEDSA-N 1 0 342.395 2.701 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451698761 478163076 /nfs/dbraw/zinc/16/30/76/478163076.db2.gz JVPHSECOXSCSJK-BZUAXINKSA-N 1 0 334.416 2.976 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000488738773 478177916 /nfs/dbraw/zinc/17/79/16/478177916.db2.gz UOSYLXFDXZHIBI-GMXVVIOVSA-N 1 0 347.444 2.766 20 5 EFBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](CO)CC(C)(C)C ZINC000451777760 478199943 /nfs/dbraw/zinc/19/99/43/478199943.db2.gz JAGADDIDCRVKDG-CQSZACIVSA-N 1 0 348.403 2.874 20 5 EFBDRO CCOCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000561786637 478204534 /nfs/dbraw/zinc/20/45/34/478204534.db2.gz VXDDNSXHUHIGLV-ZDUSSCGKSA-N 1 0 337.420 2.964 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000495478218 478205184 /nfs/dbraw/zinc/20/51/84/478205184.db2.gz CGLZALYWSHTDOI-DZGCQCFKSA-N 1 0 335.404 2.860 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C[NH+](C)C ZINC000488995415 478209280 /nfs/dbraw/zinc/20/92/80/478209280.db2.gz USIZYHBXLRQTLA-CQSZACIVSA-N 1 0 344.415 2.600 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495507896 478212008 /nfs/dbraw/zinc/21/20/08/478212008.db2.gz GUPGUOYMVWKSRR-ZFWWWQNUSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000535470520 478212673 /nfs/dbraw/zinc/21/26/73/478212673.db2.gz SZNZOPPGHVFGFO-DYVFJYSZSA-N 1 0 336.388 2.685 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495544972 478225203 /nfs/dbraw/zinc/22/52/03/478225203.db2.gz WHVAGIJZFOSNJP-DZGCQCFKSA-N 1 0 335.404 2.941 20 5 EFBDRO CCCc1nc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000519536453 478230636 /nfs/dbraw/zinc/23/06/36/478230636.db2.gz KEFQPJRFGOFXSK-UHFFFAOYSA-N 1 0 346.387 2.962 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489352278 478236323 /nfs/dbraw/zinc/23/63/23/478236323.db2.gz PEFQFMCBIMSKFU-LRDDRELGSA-N 1 0 337.395 2.636 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(O)cc1 ZINC000536849728 478276897 /nfs/dbraw/zinc/27/68/97/478276897.db2.gz CUOAGYDMTVEPBG-ZDUSSCGKSA-N 1 0 343.383 2.850 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536843483 478277461 /nfs/dbraw/zinc/27/74/61/478277461.db2.gz CXOPJDGZGPJUMZ-IAQYHMDHSA-N 1 0 343.387 2.702 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccn1 ZINC000590655120 478277588 /nfs/dbraw/zinc/27/75/88/478277588.db2.gz NBIOYFOSIBVJNS-UHFFFAOYSA-N 1 0 343.383 2.828 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000590659597 478280213 /nfs/dbraw/zinc/28/02/13/478280213.db2.gz UUVIFWDWFRURAH-WBMJQRKESA-N 1 0 336.388 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000579448380 478298621 /nfs/dbraw/zinc/29/86/21/478298621.db2.gz WCDVPOOTMHCJOW-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000594242840 478298878 /nfs/dbraw/zinc/29/88/78/478298878.db2.gz VVHPAMQEAGALAL-UHFFFAOYSA-N 1 0 348.447 2.919 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490004286 478300033 /nfs/dbraw/zinc/30/00/33/478300033.db2.gz OOZYZCKCDZBAEH-UHFFFAOYSA-N 1 0 346.431 2.781 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000495750798 478300436 /nfs/dbraw/zinc/30/04/36/478300436.db2.gz SDHACLUSFBXCGQ-UHFFFAOYSA-N 1 0 341.795 2.816 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000570176247 478303059 /nfs/dbraw/zinc/30/30/59/478303059.db2.gz QMEQLYXQPSMIHY-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000579463541 478303239 /nfs/dbraw/zinc/30/32/39/478303239.db2.gz YJJWFGPVQYDYIN-LSDHHAIUSA-N 1 0 348.447 2.633 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000520425045 478309065 /nfs/dbraw/zinc/30/90/65/478309065.db2.gz IVBBEARZOATDOW-HUUCEWRRSA-N 1 0 331.372 2.541 20 5 EFBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C[NH+](C)C ZINC000537584807 478313428 /nfs/dbraw/zinc/31/34/28/478313428.db2.gz LRIDDGWRBXZNIF-NSHDSACASA-N 1 0 332.404 2.782 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594281055 478317409 /nfs/dbraw/zinc/31/74/09/478317409.db2.gz BDLRWTFUCSAYCO-WBVHZDCISA-N 1 0 346.431 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000590758052 478322367 /nfs/dbraw/zinc/32/23/67/478322367.db2.gz BSWXLPFZROUYTQ-CXAGYDPISA-N 1 0 331.372 2.623 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)nc2c1 ZINC000590758053 478322474 /nfs/dbraw/zinc/32/24/74/478322474.db2.gz BSWXLPFZROUYTQ-DYVFJYSZSA-N 1 0 331.372 2.623 20 5 EFBDRO CN(CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000570275463 478324998 /nfs/dbraw/zinc/32/49/98/478324998.db2.gz GXTNVMMWCBMRHR-UHFFFAOYSA-N 1 0 343.431 2.955 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000490300451 478327948 /nfs/dbraw/zinc/32/79/48/478327948.db2.gz OZNZDWIPGZGXRL-OAHLLOKOSA-N 1 0 339.823 2.589 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000600312430 478334424 /nfs/dbraw/zinc/33/44/24/478334424.db2.gz SAXSQECXYJOJQT-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600315948 478335838 /nfs/dbraw/zinc/33/58/38/478335838.db2.gz XRYREXIKYNZOQE-HNNXBMFYSA-N 1 0 333.432 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000600315336 478336669 /nfs/dbraw/zinc/33/66/69/478336669.db2.gz SEFSZLNRGVELPR-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600316292 478337451 /nfs/dbraw/zinc/33/74/51/478337451.db2.gz ZCJLQKHEZSQNLU-QWHCGFSZSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600316293 478337497 /nfs/dbraw/zinc/33/74/97/478337497.db2.gz ZCJLQKHEZSQNLU-STQMWFEESA-N 1 0 337.395 2.686 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000537981483 478342043 /nfs/dbraw/zinc/34/20/43/478342043.db2.gz NMVCJWUTBIFQIE-IHRRRGAJSA-N 1 0 340.445 2.910 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538376362 478356753 /nfs/dbraw/zinc/35/67/53/478356753.db2.gz WXRSPLJUCYUKMM-DOTOQJQBSA-N 1 0 336.388 2.685 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594389240 478357258 /nfs/dbraw/zinc/35/72/58/478357258.db2.gz GZMJCLJRNGLBEE-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000538614534 478365894 /nfs/dbraw/zinc/36/58/94/478365894.db2.gz NJJVTSSSMYSVTD-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccn1 ZINC000538614304 478367091 /nfs/dbraw/zinc/36/70/91/478367091.db2.gz HBOIXEBDWMNJKI-AWEZNQCLSA-N 1 0 342.399 2.929 20 5 EFBDRO CC(C)(C)OC(=O)NCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000495860441 478371878 /nfs/dbraw/zinc/37/18/78/478371878.db2.gz ZXWYUJIKQVISED-UHFFFAOYSA-N 1 0 335.404 2.868 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594422338 478377088 /nfs/dbraw/zinc/37/70/88/478377088.db2.gz XVUPHKVOSUHIMN-NVXWUHKLSA-N 1 0 342.399 2.823 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594431175 478381962 /nfs/dbraw/zinc/38/19/62/478381962.db2.gz IZUYJQXZRCNKGL-WMZOPIPTSA-N 1 0 331.416 2.722 20 5 EFBDRO COC(C)(C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538828022 478388162 /nfs/dbraw/zinc/38/81/62/478388162.db2.gz GKWCTMBMWMGVJJ-UHFFFAOYSA-N 1 0 332.404 2.852 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597534866 478399588 /nfs/dbraw/zinc/39/95/88/478399588.db2.gz PPVGENCMGNWOGG-ZIAGYGMSSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCCC1 ZINC000594500691 478413918 /nfs/dbraw/zinc/41/39/18/478413918.db2.gz ASBYTECOPKWUSH-WBVHZDCISA-N 1 0 331.416 2.819 20 5 EFBDRO C[NH+](C)C[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000581670703 478416237 /nfs/dbraw/zinc/41/62/37/478416237.db2.gz PGPVYDNFAOTLLT-CYBMUJFWSA-N 1 0 334.807 2.822 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000594514216 478422131 /nfs/dbraw/zinc/42/21/31/478422131.db2.gz IEVJTCLYOQHNEX-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000594521682 478424404 /nfs/dbraw/zinc/42/44/04/478424404.db2.gz NSAGKJZHGBFGJZ-CZUORRHYSA-N 1 0 341.415 2.638 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594523209 478425104 /nfs/dbraw/zinc/42/51/04/478425104.db2.gz XEXFTIDERJJJGQ-UKRRQHHQSA-N 1 0 329.404 2.712 20 5 EFBDRO C[C@@H]1C[N@@H+](CCSCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000600571243 478425312 /nfs/dbraw/zinc/42/53/12/478425312.db2.gz UFOYSZCVXXJJMF-OKILXGFUSA-N 1 0 340.445 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCSCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000600570134 478425350 /nfs/dbraw/zinc/42/53/50/478425350.db2.gz PGBLEDPHMKPYEE-IYBDPMFKSA-N 1 0 338.429 2.570 20 5 EFBDRO COc1cc(C[NH2+]CCc2ncc(C)cc2C)c([N+](=O)[O-])cc1O ZINC000594523687 478426068 /nfs/dbraw/zinc/42/60/68/478426068.db2.gz ZACJSQLKKLZWFD-UHFFFAOYSA-N 1 0 331.372 2.653 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594524854 478426563 /nfs/dbraw/zinc/42/65/63/478426563.db2.gz MCWHJAIWOFKHIK-CABCVRRESA-N 1 0 336.367 2.872 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597604150 478428612 /nfs/dbraw/zinc/42/86/12/478428612.db2.gz GTHAJXVPZAQKDA-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597604500 478429075 /nfs/dbraw/zinc/42/90/75/478429075.db2.gz JDNDRYOVYDZZRY-BHYGNILZSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597605703 478430439 /nfs/dbraw/zinc/43/04/39/478430439.db2.gz SBIHMZOIBDLODA-CHWSQXEVSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597605706 478430748 /nfs/dbraw/zinc/43/07/48/478430748.db2.gz SBIHMZOIBDLODA-STQMWFEESA-N 1 0 337.395 2.780 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594550162 478432932 /nfs/dbraw/zinc/43/29/32/478432932.db2.gz LLHXRBKXXBAINC-AWEZNQCLSA-N 1 0 334.420 2.842 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594554083 478435129 /nfs/dbraw/zinc/43/51/29/478435129.db2.gz KJRUPRDWGMYSPC-OFQRWUPVSA-N 1 0 346.431 2.528 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000491065761 478436152 /nfs/dbraw/zinc/43/61/52/478436152.db2.gz HRYIQZACUDAQDI-ZDUSSCGKSA-N 1 0 336.436 2.858 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591036180 478441338 /nfs/dbraw/zinc/44/13/38/478441338.db2.gz COULJKNSSTWMHG-RRQGHBQHSA-N 1 0 331.416 2.545 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000591056195 478444379 /nfs/dbraw/zinc/44/43/79/478444379.db2.gz XEZBSLVNLCVPMR-HNNXBMFYSA-N 1 0 347.415 2.596 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591062981 478446635 /nfs/dbraw/zinc/44/66/35/478446635.db2.gz DSZANTDWTBOAMK-PBHICJAKSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000594596603 478455856 /nfs/dbraw/zinc/45/58/56/478455856.db2.gz AUHVPCMWJXPXMX-HOTGVXAUSA-N 1 0 327.388 2.967 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594604043 478461816 /nfs/dbraw/zinc/46/18/16/478461816.db2.gz XCTKGUUZLAYVDH-ZIAGYGMSSA-N 1 0 348.403 2.595 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2N1 ZINC000594604579 478462433 /nfs/dbraw/zinc/46/24/33/478462433.db2.gz ZZLPHLIYOSVCQF-CJNGLKHVSA-N 1 0 344.415 2.908 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000594603320 478463024 /nfs/dbraw/zinc/46/30/24/478463024.db2.gz UCORFUDUILPVLA-GXTWGEPZSA-N 1 0 327.388 2.967 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000594603321 478463182 /nfs/dbraw/zinc/46/31/82/478463182.db2.gz UCORFUDUILPVLA-JSGCOSHPSA-N 1 0 327.388 2.967 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597708328 478472891 /nfs/dbraw/zinc/47/28/91/478472891.db2.gz JYESDFDYQAUFJO-UHFFFAOYSA-N 1 0 337.445 2.729 20 5 EFBDRO COc1cc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000594628760 478473778 /nfs/dbraw/zinc/47/37/78/478473778.db2.gz IIURVJYFVZGGNQ-UHFFFAOYSA-N 1 0 347.415 2.660 20 5 EFBDRO CCc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628840 478473801 /nfs/dbraw/zinc/47/38/01/478473801.db2.gz LOURXPXLIUJMDX-UHFFFAOYSA-N 1 0 331.416 2.906 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597709910 478473869 /nfs/dbraw/zinc/47/38/69/478473869.db2.gz CONDDDZWXZMPOJ-UGSOOPFHSA-N 1 0 349.406 2.782 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000540433834 478475646 /nfs/dbraw/zinc/47/56/46/478475646.db2.gz XLWSPNRNCPIYTC-UHFFFAOYSA-N 1 0 342.351 2.981 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716733 478477191 /nfs/dbraw/zinc/47/71/91/478477191.db2.gz SWLZXXJVCSCTQP-IBGZPJMESA-N 1 0 345.443 2.817 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000496011459 478477678 /nfs/dbraw/zinc/47/76/78/478477678.db2.gz CSMCIAIIZAGQGS-HNNXBMFYSA-N 1 0 347.415 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000540673635 478487238 /nfs/dbraw/zinc/48/72/38/478487238.db2.gz VFLANQVOFMUUCH-LJQANCHMSA-N 1 0 342.395 2.917 20 5 EFBDRO [NH3+]Cc1cccc2c1N(CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000600722493 478487595 /nfs/dbraw/zinc/48/75/95/478487595.db2.gz QOTGJIGXNNHGGT-UHFFFAOYSA-N 1 0 327.384 2.885 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729647 478491582 /nfs/dbraw/zinc/49/15/82/478491582.db2.gz ZAHSWSPBLPFHDS-YPMHNXCESA-N 1 0 347.337 2.563 20 5 EFBDRO O=C1NCCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243828 478498193 /nfs/dbraw/zinc/49/81/93/478498193.db2.gz AFIIWWPYHKWZEA-FUHWJXTLSA-N 1 0 339.395 2.800 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491291972 478501363 /nfs/dbraw/zinc/50/13/63/478501363.db2.gz UVTQDGSARKEZBU-IQCBXXCUSA-N 1 0 349.406 2.984 20 5 EFBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000600761571 478508342 /nfs/dbraw/zinc/50/83/42/478508342.db2.gz LWQQHCHVOKTRLL-JLSDUUJJSA-N 1 0 344.415 2.626 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@@H]3C[C@H](F)C[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000591281573 478509741 /nfs/dbraw/zinc/50/97/41/478509741.db2.gz ACZDZIZKCZWFAL-RYUDHWBXSA-N 1 0 349.362 2.653 20 5 EFBDRO C[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[NH2+]1 ZINC000600772527 478513722 /nfs/dbraw/zinc/51/37/22/478513722.db2.gz DJZOAIQOOXWZGP-YPMHNXCESA-N 1 0 332.429 2.948 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000491368525 478526263 /nfs/dbraw/zinc/52/62/63/478526263.db2.gz ROLNKOFVKADERC-VOTSOKGWSA-N 1 0 331.416 2.846 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591358581 478535842 /nfs/dbraw/zinc/53/58/42/478535842.db2.gz JMACIMJQWKAKSC-CVEARBPZSA-N 1 0 346.431 2.626 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571178624 478538102 /nfs/dbraw/zinc/53/81/02/478538102.db2.gz JTGNRJCVRKWOCC-INIZCTEOSA-N 1 0 329.400 2.573 20 5 EFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(F)cc1 ZINC000591372951 478539175 /nfs/dbraw/zinc/53/91/75/478539175.db2.gz CVRVSYUOAYZJEF-QGZVFWFLSA-N 1 0 343.358 2.672 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000571198795 478541054 /nfs/dbraw/zinc/54/10/54/478541054.db2.gz ZJQVVNBRSZXREY-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854836 478541821 /nfs/dbraw/zinc/54/18/21/478541821.db2.gz NGQSRGTWAXFTNL-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597859673 478545795 /nfs/dbraw/zinc/54/57/95/478545795.db2.gz FMLCJRJFFUFIPL-KBPBESRZSA-N 1 0 333.432 2.935 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862310 478548322 /nfs/dbraw/zinc/54/83/22/478548322.db2.gz ZVTLWJNZYIXDBG-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597861385 478548463 /nfs/dbraw/zinc/54/84/63/478548463.db2.gz SWUJOKHXMNCZSD-CQSZACIVSA-N 1 0 333.432 2.682 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000591442969 478553566 /nfs/dbraw/zinc/55/35/66/478553566.db2.gz VQTQFHZVWXOXLO-RYUDHWBXSA-N 1 0 347.444 2.816 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000591443239 478553640 /nfs/dbraw/zinc/55/36/40/478553640.db2.gz ZCNANIURHXNMHH-UHFFFAOYSA-N 1 0 340.221 2.937 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000591443342 478554024 /nfs/dbraw/zinc/55/40/24/478554024.db2.gz ZVTUIZKCHHPUTJ-KBPBESRZSA-N 1 0 341.415 2.754 20 5 EFBDRO O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446984 478555024 /nfs/dbraw/zinc/55/50/24/478555024.db2.gz HOCJXJNWBPQWHU-DLBZAZTESA-N 1 0 346.431 2.530 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594039 478570361 /nfs/dbraw/zinc/57/03/61/478570361.db2.gz NDGHIVRANSXNKO-BXUZGUMPSA-N 1 0 334.376 2.966 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000591529847 478573739 /nfs/dbraw/zinc/57/37/39/478573739.db2.gz CHCBRHAVWFBBCF-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597921806 478576315 /nfs/dbraw/zinc/57/63/15/478576315.db2.gz BQYXXBYKTCLCGD-AWEZNQCLSA-N 1 0 349.431 2.661 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000582373623 478582612 /nfs/dbraw/zinc/58/26/12/478582612.db2.gz AWHSFASCFHJTBI-UAGQMJEPSA-N 1 0 334.416 2.845 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491561133 478587796 /nfs/dbraw/zinc/58/77/96/478587796.db2.gz INUMWBIUOQZDGF-SKHCZCESSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491561875 478589495 /nfs/dbraw/zinc/58/94/95/478589495.db2.gz LQSUISOSWMELIB-DDJMYBDESA-N 1 0 347.390 2.880 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000600991633 478602154 /nfs/dbraw/zinc/60/21/54/478602154.db2.gz HQBHCGQNKWAUBS-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681398 478605395 /nfs/dbraw/zinc/60/53/95/478605395.db2.gz POVUTZOTWDLQLA-UHFFFAOYSA-N 1 0 326.356 2.505 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601005730 478609141 /nfs/dbraw/zinc/60/91/41/478609141.db2.gz JBVKJWRNHGCCLG-LBPRGKRZSA-N 1 0 325.384 2.974 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000597991296 478610355 /nfs/dbraw/zinc/61/03/55/478610355.db2.gz CSIYUPHZDQOVKL-ZDUSSCGKSA-N 1 0 342.399 2.727 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597997537 478611701 /nfs/dbraw/zinc/61/17/01/478611701.db2.gz MSDBRZBVHDBCCG-VXGBXAGGSA-N 1 0 325.434 2.532 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000591728967 478613647 /nfs/dbraw/zinc/61/36/47/478613647.db2.gz LUIWXBFYUGFEON-NJAFHUGGSA-N 1 0 346.358 2.619 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601014020 478614000 /nfs/dbraw/zinc/61/40/00/478614000.db2.gz SQNAMWLLYBAPEI-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491646355 478614180 /nfs/dbraw/zinc/61/41/80/478614180.db2.gz UCVJXSKZWZYXAP-TWGQIWQCSA-N 1 0 331.416 2.989 20 5 EFBDRO COc1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1O ZINC000594978611 478615440 /nfs/dbraw/zinc/61/54/40/478615440.db2.gz SUTBIVNREFDFBA-CQSZACIVSA-N 1 0 349.431 2.806 20 5 EFBDRO COc1cc(C[NH2+]CCCOC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594978046 478616312 /nfs/dbraw/zinc/61/63/12/478616312.db2.gz WDOUIIYNQBATGL-UHFFFAOYSA-N 1 0 326.393 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000594981813 478617164 /nfs/dbraw/zinc/61/71/64/478617164.db2.gz AMHOFQJSOCSCEJ-LLVKDONJSA-N 1 0 330.331 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000594981814 478617807 /nfs/dbraw/zinc/61/78/07/478617807.db2.gz AMHOFQJSOCSCEJ-NSHDSACASA-N 1 0 330.331 2.694 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591744334 478618691 /nfs/dbraw/zinc/61/86/91/478618691.db2.gz UFMLVEMMLUQWQF-QXAKKESOSA-N 1 0 342.395 2.654 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](OC)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000594993404 478620253 /nfs/dbraw/zinc/62/02/53/478620253.db2.gz FDKADUQJRBTMJY-QGZVFWFLSA-N 1 0 338.404 2.907 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594992420 478620995 /nfs/dbraw/zinc/62/09/95/478620995.db2.gz RCQCTWWAKKECAC-GFCCVEGCSA-N 1 0 329.347 2.770 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000594993003 478621023 /nfs/dbraw/zinc/62/10/23/478621023.db2.gz AXZXKBOOXBNPPB-QGZVFWFLSA-N 1 0 336.388 2.661 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594993368 478621231 /nfs/dbraw/zinc/62/12/31/478621231.db2.gz PQJJHQCNZJFPPD-ZDUSSCGKSA-N 1 0 349.431 2.730 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000594993767 478621382 /nfs/dbraw/zinc/62/13/82/478621382.db2.gz PZJQJOMDQXCALX-QPBFKRLHSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1cccc(C)c1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591755965 478621933 /nfs/dbraw/zinc/62/19/33/478621933.db2.gz DBUZONJTUDOUMG-INIZCTEOSA-N 1 0 344.411 2.784 20 5 EFBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000594997326 478624001 /nfs/dbraw/zinc/62/40/01/478624001.db2.gz VDUUAVWMOOKAPZ-MTIYJEKLSA-N 1 0 334.416 2.765 20 5 EFBDRO COc1cccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000594999775 478624345 /nfs/dbraw/zinc/62/43/45/478624345.db2.gz VXYNFOIWFOLHSI-UHFFFAOYSA-N 1 0 344.367 2.973 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000595008663 478628209 /nfs/dbraw/zinc/62/82/09/478628209.db2.gz POUKSMWUCTXGEV-ZFWWWQNUSA-N 1 0 330.384 2.858 20 5 EFBDRO CN(C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491684097 478631383 /nfs/dbraw/zinc/63/13/83/478631383.db2.gz CQXAVMNBQWMIPC-NMNMAYGDSA-N 1 0 349.818 2.957 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOc1ncccc1F ZINC000595022893 478633141 /nfs/dbraw/zinc/63/31/41/478633141.db2.gz QGDRYBDGLFPXKL-LLVKDONJSA-N 1 0 335.335 2.867 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000595035192 478637442 /nfs/dbraw/zinc/63/74/42/478637442.db2.gz HPGCHYAXBIGFSO-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000595044280 478638949 /nfs/dbraw/zinc/63/89/49/478638949.db2.gz KSHZSBWMOWKGHT-OLZOCXBDSA-N 1 0 338.404 2.838 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000595044282 478638959 /nfs/dbraw/zinc/63/89/59/478638959.db2.gz KSHZSBWMOWKGHT-STQMWFEESA-N 1 0 338.404 2.838 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000601068557 478639868 /nfs/dbraw/zinc/63/98/68/478639868.db2.gz HCMAWZXFCSGMLT-GOSISDBHSA-N 1 0 346.358 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595059726 478644861 /nfs/dbraw/zinc/64/48/61/478644861.db2.gz JRRJQLBKEALCGM-ODKKQSOXSA-N 1 0 340.445 2.944 20 5 EFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079843 478653507 /nfs/dbraw/zinc/65/35/07/478653507.db2.gz ZOMOBDJZGRJBBV-GJZGRUSLSA-N 1 0 344.419 2.676 20 5 EFBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000595095646 478657830 /nfs/dbraw/zinc/65/78/30/478657830.db2.gz SCVLXYAPDJUTEU-QAPCUYQASA-N 1 0 334.416 2.739 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000591899039 478683569 /nfs/dbraw/zinc/68/35/69/478683569.db2.gz IRTYMVWMNDKFLF-GJZGRUSLSA-N 1 0 347.415 2.739 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601144176 478684013 /nfs/dbraw/zinc/68/40/13/478684013.db2.gz FYTKTCOBJQMFOE-DXTPNHAXSA-N 1 0 341.293 2.593 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601154004 478692839 /nfs/dbraw/zinc/69/28/39/478692839.db2.gz WMVDPZFJVCIVQY-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223315 478693160 /nfs/dbraw/zinc/69/31/60/478693160.db2.gz ZWZVFXXKDOYKCJ-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000595230405 478695581 /nfs/dbraw/zinc/69/55/81/478695581.db2.gz GQFIJIMYFCJBLC-UHFFFAOYSA-N 1 0 334.298 2.815 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595233340 478697139 /nfs/dbraw/zinc/69/71/39/478697139.db2.gz NJILJAMLFHSDPV-AWEZNQCLSA-N 1 0 332.404 2.838 20 5 EFBDRO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC[NH+](C)CC1 ZINC000601166848 478701839 /nfs/dbraw/zinc/70/18/39/478701839.db2.gz UXUKVSIVUUZSBI-CQSZACIVSA-N 1 0 345.443 2.863 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000595268387 478707755 /nfs/dbraw/zinc/70/77/55/478707755.db2.gz IBYCZDARCCOQNX-IAGOWNOFSA-N 1 0 343.358 2.609 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCC1 ZINC000595271627 478708549 /nfs/dbraw/zinc/70/85/49/478708549.db2.gz UWAXXCJRCPTKOT-UHFFFAOYSA-N 1 0 332.404 2.540 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591925660 478709937 /nfs/dbraw/zinc/70/99/37/478709937.db2.gz KEZMBJZSDAKINS-XJKSGUPXSA-N 1 0 334.420 2.782 20 5 EFBDRO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598218953 478709972 /nfs/dbraw/zinc/70/99/72/478709972.db2.gz KAFBPXHWEVVFAN-AWEZNQCLSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218505 478710220 /nfs/dbraw/zinc/71/02/20/478710220.db2.gz GRLMXAZEAALZQK-HNNXBMFYSA-N 1 0 331.416 2.661 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591926908 478710777 /nfs/dbraw/zinc/71/07/77/478710777.db2.gz WUVWKYWFDCYLSN-JSGCOSHPSA-N 1 0 347.415 2.738 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220523 478711552 /nfs/dbraw/zinc/71/15/52/478711552.db2.gz QJIFQRJQGRLKRC-HNNXBMFYSA-N 1 0 331.416 2.661 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598220483 478711890 /nfs/dbraw/zinc/71/18/90/478711890.db2.gz PSWPRLPJLJMUNQ-CYBMUJFWSA-N 1 0 335.379 2.871 20 5 EFBDRO Cc1cccc(NCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000571969126 478715155 /nfs/dbraw/zinc/71/51/55/478715155.db2.gz NWIGZAIGVPGKKB-GJZGRUSLSA-N 1 0 344.419 2.680 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000591945134 478718449 /nfs/dbraw/zinc/71/84/49/478718449.db2.gz WZXIYNVNSUKKQJ-CYBMUJFWSA-N 1 0 337.420 2.841 20 5 EFBDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914360 478718691 /nfs/dbraw/zinc/71/86/91/478718691.db2.gz FYFUDLIROVFFME-ZDUSSCGKSA-N 1 0 330.388 2.636 20 5 EFBDRO COC(=O)[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000601196596 478719069 /nfs/dbraw/zinc/71/90/69/478719069.db2.gz PBXKSJYCTYSQKD-WCQYABFASA-N 1 0 329.356 2.778 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000491875573 478720557 /nfs/dbraw/zinc/72/05/57/478720557.db2.gz YYKOPVJMMUVBSX-KXQLTZBTSA-N 1 0 347.390 2.691 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564319663 478722694 /nfs/dbraw/zinc/72/26/94/478722694.db2.gz KNLUIBBDAUMEEQ-INIZCTEOSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000601209615 478725225 /nfs/dbraw/zinc/72/52/25/478725225.db2.gz GPHISXAFVIPUSE-DZGCQCFKSA-N 1 0 329.404 2.508 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000543247459 478729058 /nfs/dbraw/zinc/72/90/58/478729058.db2.gz YERXGZNTWNFWMA-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598261513 478729933 /nfs/dbraw/zinc/72/99/33/478729933.db2.gz GAJMOHQNKZQXGD-CQSZACIVSA-N 1 0 333.432 2.682 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000491909166 478733947 /nfs/dbraw/zinc/73/39/47/478733947.db2.gz BDEPNYKGVSGLDX-CCGPLILUSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000491911661 478734964 /nfs/dbraw/zinc/73/49/64/478734964.db2.gz HIXRJFXJCDHROG-SVUXDUJVSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000491917357 478737588 /nfs/dbraw/zinc/73/75/88/478737588.db2.gz YLPNQGATELWGND-ROPFJZTFSA-N 1 0 349.406 2.936 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000491920545 478738695 /nfs/dbraw/zinc/73/86/95/478738695.db2.gz VASGKLXJWFJQHC-LBPRGKRZSA-N 1 0 336.392 2.694 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000601241032 478743688 /nfs/dbraw/zinc/74/36/88/478743688.db2.gz VIYJSURHTZHPES-CQSZACIVSA-N 1 0 328.372 2.690 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000491933954 478745304 /nfs/dbraw/zinc/74/53/04/478745304.db2.gz CSDZZNNSSDMMRR-SQWULWQPSA-N 1 0 335.379 2.688 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491938517 478747317 /nfs/dbraw/zinc/74/73/17/478747317.db2.gz LFGFNGPPXHLCPB-AJKQWTFCSA-N 1 0 347.390 2.832 20 5 EFBDRO COc1cc(CN(Cc2onc(C)c2[N+](=O)[O-])C2CC2)ccc1O ZINC000595391206 478759010 /nfs/dbraw/zinc/75/90/10/478759010.db2.gz GTKYZOYNSWBHCJ-UHFFFAOYSA-N 1 0 333.344 2.770 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c2c(c1)COCO2 ZINC000564564091 478760128 /nfs/dbraw/zinc/76/01/28/478760128.db2.gz KWDSZIORXYEZQS-CQSZACIVSA-N 1 0 341.367 2.846 20 5 EFBDRO Cc1noc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000595393240 478760537 /nfs/dbraw/zinc/76/05/37/478760537.db2.gz PUXWQZPNUDANMK-ZDUSSCGKSA-N 1 0 341.371 2.906 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000543618659 478761251 /nfs/dbraw/zinc/76/12/51/478761251.db2.gz IRYPDOLLOJGRMZ-CHWSQXEVSA-N 1 0 337.395 2.684 20 5 EFBDRO C[C@@H]1CN(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405385 478763299 /nfs/dbraw/zinc/76/32/99/478763299.db2.gz WYPHZQZYYPOBII-GASCZTMLSA-N 1 0 333.432 2.668 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306714 478776275 /nfs/dbraw/zinc/77/62/75/478776275.db2.gz PCDIRHDIYZHHOP-GGZOMVNGSA-N 1 0 331.294 2.852 20 5 EFBDRO CCN(Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595438378 478782443 /nfs/dbraw/zinc/78/24/43/478782443.db2.gz OQGWYVVRZABOSL-INIZCTEOSA-N 1 0 344.415 2.988 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000500229150 478790109 /nfs/dbraw/zinc/79/01/09/478790109.db2.gz NFEDVRRTHNVOGB-NJELEJDNSA-N 1 0 330.359 2.940 20 5 EFBDRO CCc1ccc([C@@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000543836157 478791660 /nfs/dbraw/zinc/79/16/60/478791660.db2.gz JJTJIRVGFXIZLG-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595452331 478792139 /nfs/dbraw/zinc/79/21/39/478792139.db2.gz IUNRBPQAEYDATI-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000583258427 478804938 /nfs/dbraw/zinc/80/49/38/478804938.db2.gz UHPPNAVGGQSOLP-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595478197 478808196 /nfs/dbraw/zinc/80/81/96/478808196.db2.gz ZBACUFSDBUXKPH-BHYGNILZSA-N 1 0 331.416 2.516 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595478199 478809088 /nfs/dbraw/zinc/80/90/88/478809088.db2.gz ZBACUFSDBUXKPH-HYVNUMGLSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595478140 478809246 /nfs/dbraw/zinc/80/92/46/478809246.db2.gz XYIIGROMZZXAOI-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H]1CC2(C[N@@H+]1Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCOCC2 ZINC000592181814 478815973 /nfs/dbraw/zinc/81/59/73/478815973.db2.gz IAOZACBHENSACZ-ZDUSSCGKSA-N 1 0 348.399 2.852 20 5 EFBDRO C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183912 478816844 /nfs/dbraw/zinc/81/68/44/478816844.db2.gz KUQGNRLSALRBJZ-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583308681 478818613 /nfs/dbraw/zinc/81/86/13/478818613.db2.gz TVGXYMPRONZKMI-INIZCTEOSA-N 1 0 343.383 2.555 20 5 EFBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCSC ZINC000592204060 478824626 /nfs/dbraw/zinc/82/46/26/478824626.db2.gz QZOQSFHIKVNNHS-UHFFFAOYSA-N 1 0 339.417 2.578 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592204360 478825458 /nfs/dbraw/zinc/82/54/58/478825458.db2.gz RDAGWKBUWCNWMI-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506656 478825918 /nfs/dbraw/zinc/82/59/18/478825918.db2.gz FNMWHLXBXQAYRM-SFHVURJKSA-N 1 0 333.432 2.781 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000595534068 478837141 /nfs/dbraw/zinc/83/71/41/478837141.db2.gz BLQBQIODIMJGAR-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000595535408 478838948 /nfs/dbraw/zinc/83/89/48/478838948.db2.gz OEPBGSORGSYHQA-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592244237 478838965 /nfs/dbraw/zinc/83/89/65/478838965.db2.gz FUIGWSNNDRJPFQ-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000595535288 478839146 /nfs/dbraw/zinc/83/91/46/478839146.db2.gz MDKPIAREOLDHIL-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254577 478842554 /nfs/dbraw/zinc/84/25/54/478842554.db2.gz HKZLINDRMCQTJP-STQMWFEESA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254352 478842701 /nfs/dbraw/zinc/84/27/01/478842701.db2.gz WRYAWKPITLMBAX-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595544224 478844968 /nfs/dbraw/zinc/84/49/68/478844968.db2.gz NJNRSKZWHQRTKN-UKRRQHHQSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592290419 478854802 /nfs/dbraw/zinc/85/48/02/478854802.db2.gz KRQOPVAKCSDUBG-UHFFFAOYSA-N 1 0 337.445 2.969 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000583458921 478857412 /nfs/dbraw/zinc/85/74/12/478857412.db2.gz CPAJLPQMWLJZPZ-UHFFFAOYSA-N 1 0 345.403 2.554 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@H+](C)C1 ZINC000583480206 478859767 /nfs/dbraw/zinc/85/97/67/478859767.db2.gz VJRSFMAMEWKWSO-SNVBAGLBSA-N 1 0 341.795 2.789 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356673 478866751 /nfs/dbraw/zinc/86/67/51/478866751.db2.gz DKNHOIULMJZGIL-SNVBAGLBSA-N 1 0 338.751 2.677 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511529 478872027 /nfs/dbraw/zinc/87/20/27/478872027.db2.gz SDEZSBVMTQBFCP-SFHVURJKSA-N 1 0 339.395 2.528 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592374549 478872399 /nfs/dbraw/zinc/87/23/99/478872399.db2.gz KTDSOSLGJTWHPM-OAHLLOKOSA-N 1 0 333.413 2.841 20 5 EFBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592380618 478875057 /nfs/dbraw/zinc/87/50/57/478875057.db2.gz OFDSPIUAEYYIGU-NHYWBVRUSA-N 1 0 332.429 2.979 20 5 EFBDRO Cc1c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000595596166 478876774 /nfs/dbraw/zinc/87/67/74/478876774.db2.gz KQSFOXFIFWEZCA-QGZVFWFLSA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595600539 478879344 /nfs/dbraw/zinc/87/93/44/478879344.db2.gz HIGUKSHTMRZTIM-IAGOWNOFSA-N 1 0 344.415 2.606 20 5 EFBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595600540 478879725 /nfs/dbraw/zinc/87/97/25/478879725.db2.gz HIGUKSHTMRZTIM-IRXDYDNUSA-N 1 0 344.415 2.606 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(CO)cc1 ZINC000592393164 478882042 /nfs/dbraw/zinc/88/20/42/478882042.db2.gz PRSVADOCNXDUJF-ZDUSSCGKSA-N 1 0 343.383 2.594 20 5 EFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592396050 478883674 /nfs/dbraw/zinc/88/36/74/478883674.db2.gz FZKIJRUNOLFYRM-GUTXKFCHSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598539869 478885870 /nfs/dbraw/zinc/88/58/70/478885870.db2.gz IJZYOWWGQARKEM-AWEZNQCLSA-N 1 0 345.443 2.937 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492239787 478886130 /nfs/dbraw/zinc/88/61/30/478886130.db2.gz QHMUVLNJDXOOGE-POHAHGRESA-N 1 0 349.406 2.984 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000598543156 478887382 /nfs/dbraw/zinc/88/73/82/478887382.db2.gz RGLXNLZQXIFSQB-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598543684 478887425 /nfs/dbraw/zinc/88/74/25/478887425.db2.gz WRQCXJJCLNKNHT-UHFFFAOYSA-N 1 0 335.379 2.586 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545150257 478888956 /nfs/dbraw/zinc/88/89/56/478888956.db2.gz PYNQKDAPQMHAKD-UHFFFAOYSA-N 1 0 339.411 2.860 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592440513 478893492 /nfs/dbraw/zinc/89/34/92/478893492.db2.gz QHGXPJVVGFCSSS-GFCCVEGCSA-N 1 0 337.445 2.967 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598559424 478894140 /nfs/dbraw/zinc/89/41/40/478894140.db2.gz HDRXUNLDUGWICV-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)cs2)c1 ZINC000592432858 478894356 /nfs/dbraw/zinc/89/43/56/478894356.db2.gz ZCIRQLWIQVOEPB-LRDDRELGSA-N 1 0 344.440 2.902 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000595659262 478919592 /nfs/dbraw/zinc/91/95/92/478919592.db2.gz ZLVQAKIANHDTHK-KRWDZBQOSA-N 1 0 342.395 2.701 20 5 EFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672419 478925542 /nfs/dbraw/zinc/92/55/42/478925542.db2.gz IZTLNBCISFLTME-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672418 478926556 /nfs/dbraw/zinc/92/65/56/478926556.db2.gz IZTLNBCISFLTME-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670667 478926897 /nfs/dbraw/zinc/92/68/97/478926897.db2.gz HVQLMQMOOAEFGS-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678682 478930884 /nfs/dbraw/zinc/93/08/84/478930884.db2.gz SVHFYZFFSHSHCM-FZMZJTMJSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595679792 478932748 /nfs/dbraw/zinc/93/27/48/478932748.db2.gz YGRFYAHFXQWADZ-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595685683 478935503 /nfs/dbraw/zinc/93/55/03/478935503.db2.gz YUFJFPGYHGYRLA-SFHVURJKSA-N 1 0 346.383 2.960 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554087 478941665 /nfs/dbraw/zinc/94/16/65/478941665.db2.gz CEGCZXBRWUBMJB-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1CO ZINC000598647052 478943014 /nfs/dbraw/zinc/94/30/14/478943014.db2.gz MXNXRVKKYCKYHA-JSGCOSHPSA-N 1 0 331.372 2.700 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598646282 478943171 /nfs/dbraw/zinc/94/31/71/478943171.db2.gz DPKDKVWSTMGEQG-OAHLLOKOSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567317 478943310 /nfs/dbraw/zinc/94/33/10/478943310.db2.gz BJTFPQBTYMTCBT-OAHLLOKOSA-N 1 0 346.431 2.578 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570699 478943996 /nfs/dbraw/zinc/94/39/96/478943996.db2.gz PBWXNHLKLIVNMU-INIZCTEOSA-N 1 0 346.431 2.578 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647757 478944569 /nfs/dbraw/zinc/94/45/69/478944569.db2.gz FDEHEKQHRYNFLY-DYEKYZERSA-N 1 0 346.387 2.656 20 5 EFBDRO COc1cc(CN2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000598647923 478944892 /nfs/dbraw/zinc/94/48/92/478944892.db2.gz NIIULARAQUJRSW-GFCCVEGCSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595706878 478950491 /nfs/dbraw/zinc/95/04/91/478950491.db2.gz YAZLRYKOWWIPEO-CXAGYDPISA-N 1 0 349.431 2.715 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670623 478955586 /nfs/dbraw/zinc/95/55/86/478955586.db2.gz VKSQXJNTAVOKCZ-UGSOOPFHSA-N 1 0 331.416 2.846 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598668291 478956034 /nfs/dbraw/zinc/95/60/34/478956034.db2.gz SDHVVJOKVLSFSQ-QMTHXVAHSA-N 1 0 343.305 2.567 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598721440 478990778 /nfs/dbraw/zinc/99/07/78/478990778.db2.gz VODPNCIYBNZUJL-NHYWBVRUSA-N 1 0 327.331 2.509 20 5 EFBDRO O=c1[nH]cnc2cc(NCC3CC[NH+](C4CC4)CC3)c([N+](=O)[O-])cc21 ZINC000584032625 478997877 /nfs/dbraw/zinc/99/78/77/478997877.db2.gz SBQRLLDUBNNEQC-UHFFFAOYSA-N 1 0 343.387 2.530 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595787408 478999159 /nfs/dbraw/zinc/99/91/59/478999159.db2.gz OXWBYHIAOPOMKG-HNNXBMFYSA-N 1 0 348.447 2.857 20 5 EFBDRO CCc1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565417399 479002829 /nfs/dbraw/zinc/00/28/29/479002829.db2.gz SAMWQMITXIOGGW-KRWDZBQOSA-N 1 0 330.384 2.687 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000565531162 479027640 /nfs/dbraw/zinc/02/76/40/479027640.db2.gz FNZDVBHFASEXGY-FZKQIMNGSA-N 1 0 349.431 2.843 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000584151315 479028127 /nfs/dbraw/zinc/02/81/27/479028127.db2.gz YAGMZEDULVHRQP-CQSZACIVSA-N 1 0 341.367 2.846 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595879920 479047178 /nfs/dbraw/zinc/04/71/78/479047178.db2.gz XGHFFDQUENSICF-UHFFFAOYSA-N 1 0 340.383 2.732 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000601878536 479053511 /nfs/dbraw/zinc/05/35/11/479053511.db2.gz CCVVUVKBUFFFFH-HNNXBMFYSA-N 1 0 345.424 2.969 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000493559566 479056088 /nfs/dbraw/zinc/05/60/88/479056088.db2.gz SDLNRPDNAGPQOU-ZBKLQPJUSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](C)C1 ZINC000592828355 479062440 /nfs/dbraw/zinc/06/24/40/479062440.db2.gz HOJLNHDGBOYWQU-HNNXBMFYSA-N 1 0 344.415 2.561 20 5 EFBDRO CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592833253 479066722 /nfs/dbraw/zinc/06/67/22/479066722.db2.gz XNPOGCUGORACAF-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000514797742 479069767 /nfs/dbraw/zinc/06/97/67/479069767.db2.gz YXQRHHGZWZGWQE-MRXNPFEDSA-N 1 0 349.456 2.901 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000584271636 479071745 /nfs/dbraw/zinc/07/17/45/479071745.db2.gz COPZDWYQMGTPJL-LSDHHAIUSA-N 1 0 343.431 2.956 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCn2ccnc2)n1 ZINC000565755280 479075242 /nfs/dbraw/zinc/07/52/42/479075242.db2.gz ISSXOKHJOJEKHR-HUUCEWRRSA-N 1 0 332.408 2.542 20 5 EFBDRO [NH3+]C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000595940049 479079978 /nfs/dbraw/zinc/07/99/78/479079978.db2.gz AMAGZXSEFQSGFQ-UHFFFAOYSA-N 1 0 346.412 2.720 20 5 EFBDRO COc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595950173 479080716 /nfs/dbraw/zinc/08/07/16/479080716.db2.gz BSGJWAIIXDDADG-UHFFFAOYSA-N 1 0 333.369 2.563 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000493615058 479082961 /nfs/dbraw/zinc/08/29/61/479082961.db2.gz FMQDNRDNWRBYMW-JEJOPICUSA-N 1 0 329.400 2.741 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000598913989 479083570 /nfs/dbraw/zinc/08/35/70/479083570.db2.gz UCILUAYYECWTTQ-XHVZSJERSA-N 1 0 338.795 2.839 20 5 EFBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000598916253 479084560 /nfs/dbraw/zinc/08/45/60/479084560.db2.gz UUNPHPIDAXMZDD-SKDRFNHKSA-N 1 0 326.784 2.839 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000493635955 479092578 /nfs/dbraw/zinc/09/25/78/479092578.db2.gz XGANYNLFNBHGDP-ACAQERRYSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598971692 479107311 /nfs/dbraw/zinc/10/73/11/479107311.db2.gz BDLRDBNQULUKJI-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493671823 479108677 /nfs/dbraw/zinc/10/86/77/479108677.db2.gz COWHIXGLVNLLHB-ZQMJAJRESA-N 1 0 335.379 2.688 20 5 EFBDRO O=c1[nH]ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596055531 479111110 /nfs/dbraw/zinc/11/11/10/479111110.db2.gz WJIJJBRDTWWOPD-ZDUSSCGKSA-N 1 0 332.360 2.928 20 5 EFBDRO NC(=O)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596055594 479111499 /nfs/dbraw/zinc/11/14/99/479111499.db2.gz SERXCEJATDUMII-HNNXBMFYSA-N 1 0 344.371 2.536 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493690992 479115960 /nfs/dbraw/zinc/11/59/60/479115960.db2.gz MBFDNZBWTVNQTM-VUDGCMKMSA-N 1 0 335.379 2.547 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598988315 479116546 /nfs/dbraw/zinc/11/65/46/479116546.db2.gz OFHXEEJCJFFBIN-CQSZACIVSA-N 1 0 343.374 2.813 20 5 EFBDRO Cc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596069701 479120034 /nfs/dbraw/zinc/12/00/34/479120034.db2.gz ISHHPSIMSFRDCR-AWEZNQCLSA-N 1 0 326.466 2.649 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596075778 479123093 /nfs/dbraw/zinc/12/30/93/479123093.db2.gz LHYRYGXLWHKGKX-ZDUSSCGKSA-N 1 0 334.420 2.618 20 5 EFBDRO COCC[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000515175489 479127564 /nfs/dbraw/zinc/12/75/64/479127564.db2.gz PIRVEGOZVYDVSX-QGZVFWFLSA-N 1 0 347.371 2.535 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039477 479135136 /nfs/dbraw/zinc/13/51/36/479135136.db2.gz IXIDBTUIHCQKEG-AWEZNQCLSA-N 1 0 330.388 2.666 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039478 479135230 /nfs/dbraw/zinc/13/52/30/479135230.db2.gz IXIDBTUIHCQKEG-CQSZACIVSA-N 1 0 330.388 2.666 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC(C)CC1 ZINC000596095980 479135320 /nfs/dbraw/zinc/13/53/20/479135320.db2.gz SMYKIGPLBHFVKM-FVRSWCFKSA-N 1 0 349.431 2.843 20 5 EFBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000602011596 479135741 /nfs/dbraw/zinc/13/57/41/479135741.db2.gz IBGFKPCASZVGDF-UHFFFAOYSA-N 1 0 331.372 2.745 20 5 EFBDRO CCOC(=O)c1cc(N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000599045638 479136371 /nfs/dbraw/zinc/13/63/71/479136371.db2.gz YUTYKYICNKJOQU-LBPRGKRZSA-N 1 0 335.404 2.914 20 5 EFBDRO C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104261 479141164 /nfs/dbraw/zinc/14/11/64/479141164.db2.gz IUOZATKHQHLSCR-NSHDSACASA-N 1 0 328.363 2.580 20 5 EFBDRO Cc1cc(N[C@@H]2CCc3nc(C)ncc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596106046 479141928 /nfs/dbraw/zinc/14/19/28/479141928.db2.gz PAOUXWMMBGMNJC-CQSZACIVSA-N 1 0 349.394 2.941 20 5 EFBDRO Cc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000596108387 479142638 /nfs/dbraw/zinc/14/26/38/479142638.db2.gz BMEJHDUGCUDUQF-CYBMUJFWSA-N 1 0 332.360 2.846 20 5 EFBDRO O=c1[nH]ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000596112322 479144893 /nfs/dbraw/zinc/14/48/93/479144893.db2.gz NSDWZXKGBFZKMU-CQSZACIVSA-N 1 0 334.420 2.788 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751575 479145022 /nfs/dbraw/zinc/14/50/22/479145022.db2.gz VMFPWURZCUXHOK-WLPBJKJWSA-N 1 0 347.390 2.691 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599067239 479146623 /nfs/dbraw/zinc/14/66/23/479146623.db2.gz ZFKJNRAXTVLRFU-RISCZKNCSA-N 1 0 325.359 2.901 20 5 EFBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c[nH]1 ZINC000599078872 479152423 /nfs/dbraw/zinc/15/24/23/479152423.db2.gz GOMXZQHTXAHXHW-DAYGRLMNSA-N 1 0 341.367 2.803 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596126711 479152979 /nfs/dbraw/zinc/15/29/79/479152979.db2.gz MPWASYROBWULFU-ZIAGYGMSSA-N 1 0 333.436 2.663 20 5 EFBDRO CC[C@H](F)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000515363405 479154589 /nfs/dbraw/zinc/15/45/89/479154589.db2.gz AFCNJAVRRVJJJH-LBPRGKRZSA-N 1 0 335.383 2.731 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599095107 479159526 /nfs/dbraw/zinc/15/95/26/479159526.db2.gz RLKXDMATNSDJAB-NSHDSACASA-N 1 0 331.363 2.841 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000593078840 479160642 /nfs/dbraw/zinc/16/06/42/479160642.db2.gz CBLHKTHUJJYNNP-UHFFFAOYSA-N 1 0 333.388 2.854 20 5 EFBDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000593080064 479162036 /nfs/dbraw/zinc/16/20/36/479162036.db2.gz DFQIHUQTUQMBEV-MRXNPFEDSA-N 1 0 344.415 2.897 20 5 EFBDRO COc1cc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1C ZINC000596148466 479163815 /nfs/dbraw/zinc/16/38/15/479163815.db2.gz ASJZNKVYXISKPY-OAHLLOKOSA-N 1 0 325.434 2.761 20 5 EFBDRO CN(c1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000596148159 479163900 /nfs/dbraw/zinc/16/39/00/479163900.db2.gz YUDIVKYDVQMJHP-HNNXBMFYSA-N 1 0 342.399 2.796 20 5 EFBDRO NC(=O)c1cc(NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596154069 479168589 /nfs/dbraw/zinc/16/85/89/479168589.db2.gz KCVKCXBYHVEKOK-UHFFFAOYSA-N 1 0 332.404 2.513 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584540232 479173698 /nfs/dbraw/zinc/17/36/98/479173698.db2.gz RIQQNFABPXTUPA-NUTKFTJISA-N 1 0 342.399 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(I)cc(CNc2c[nH]cn2)c1 ZINC000584561700 479175350 /nfs/dbraw/zinc/17/53/50/479175350.db2.gz VDVJUZLEIUDXEF-UHFFFAOYSA-N 1 0 344.112 2.535 20 5 EFBDRO CC(C)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000599143036 479178802 /nfs/dbraw/zinc/17/88/02/479178802.db2.gz NXFIWCWACKNXFW-INIZCTEOSA-N 1 0 343.431 2.675 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000573931337 479179090 /nfs/dbraw/zinc/17/90/90/479179090.db2.gz RTLROVWHFRJSNC-OAHLLOKOSA-N 1 0 343.383 2.867 20 5 EFBDRO Nc1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000596174563 479180039 /nfs/dbraw/zinc/18/00/39/479180039.db2.gz IUGKPQSBCNSKNR-UHFFFAOYSA-N 1 0 333.436 2.664 20 5 EFBDRO COc1cc(CN(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000593111173 479180598 /nfs/dbraw/zinc/18/05/98/479180598.db2.gz FCOUYBXBPWEMJC-UHFFFAOYSA-N 1 0 325.384 2.660 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(F)CC1 ZINC000602993214 479184733 /nfs/dbraw/zinc/18/47/33/479184733.db2.gz UKIRRXVVAVZJDM-UHFFFAOYSA-N 1 0 339.367 2.756 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000602997019 479185860 /nfs/dbraw/zinc/18/58/60/479185860.db2.gz AWBSXKISGUDKJE-KMFMINBZSA-N 1 0 347.415 2.549 20 5 EFBDRO CS[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596195870 479191704 /nfs/dbraw/zinc/19/17/04/479191704.db2.gz PEERCRARTFJUKQ-OLZOCXBDSA-N 1 0 327.475 2.981 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602150336 479203979 /nfs/dbraw/zinc/20/39/79/479203979.db2.gz HCJXYDMCOKBWDD-KRWDZBQOSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000596216734 479205607 /nfs/dbraw/zinc/20/56/07/479205607.db2.gz LKKNWEYFCFSWER-SJCJKPOMSA-N 1 0 342.399 2.797 20 5 EFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000610856090 479209241 /nfs/dbraw/zinc/20/92/41/479209241.db2.gz GXYLGGZWRHTWJB-ZIAGYGMSSA-N 1 0 325.434 2.836 20 5 EFBDRO Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000596227639 479211543 /nfs/dbraw/zinc/21/15/43/479211543.db2.gz RBCHTIDPVFHYDD-ZDUSSCGKSA-N 1 0 325.434 2.513 20 5 EFBDRO CC(=O)N1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000574100666 479216433 /nfs/dbraw/zinc/21/64/33/479216433.db2.gz WTAMNATZPBMRTO-UHFFFAOYSA-N 1 0 331.397 2.644 20 5 EFBDRO CC[N@H+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000593175499 479220513 /nfs/dbraw/zinc/22/05/13/479220513.db2.gz RBZIVFGCVIDKBX-UHFFFAOYSA-N 1 0 349.435 2.578 20 5 EFBDRO Cc1c(Br)c(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596244356 479220699 /nfs/dbraw/zinc/22/06/99/479220699.db2.gz PHJLNJCRYIGGRX-VHSXEESVSA-N 1 0 343.225 2.590 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000556842659 479222297 /nfs/dbraw/zinc/22/22/97/479222297.db2.gz IZRMYLZDYUTPFM-VIFPVBQESA-N 1 0 330.310 2.905 20 5 EFBDRO COC(=O)[C@@H](NCCCNc1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000596246485 479222956 /nfs/dbraw/zinc/22/29/56/479222956.db2.gz GESDAIGVZRUWEL-LBPRGKRZSA-N 1 0 329.422 2.554 20 5 EFBDRO Cc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596254160 479225609 /nfs/dbraw/zinc/22/56/09/479225609.db2.gz MHIZPXBKAWJNGN-UHFFFAOYSA-N 1 0 327.450 2.542 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593182433 479225835 /nfs/dbraw/zinc/22/58/35/479225835.db2.gz NMWIXIWFNLCHIS-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593190713 479232548 /nfs/dbraw/zinc/23/25/48/479232548.db2.gz OISUPUUAKNQYSZ-RDBSUJKOSA-N 1 0 349.431 2.935 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000556933597 479238696 /nfs/dbraw/zinc/23/86/96/479238696.db2.gz IDVRGDPJFZUSAA-UHFFFAOYSA-N 1 0 342.399 2.584 20 5 EFBDRO Cc1cccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000603083389 479238974 /nfs/dbraw/zinc/23/89/74/479238974.db2.gz LTEPBGLTONKAGH-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596295219 479243469 /nfs/dbraw/zinc/24/34/69/479243469.db2.gz RDMZHXGDOJEPRX-CYBMUJFWSA-N 1 0 325.434 2.656 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000584804149 479247017 /nfs/dbraw/zinc/24/70/17/479247017.db2.gz ONFDQDKBDJIBLL-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@@H](CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596355450 479264212 /nfs/dbraw/zinc/26/42/12/479264212.db2.gz APQQVSCYTKAVHS-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000603149142 479275383 /nfs/dbraw/zinc/27/53/83/479275383.db2.gz ULKZQIAVDCALPG-UHFFFAOYSA-N 1 0 343.387 2.715 20 5 EFBDRO CC[N@@H+]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000611092231 479281521 /nfs/dbraw/zinc/28/15/21/479281521.db2.gz MDKVQBIJHKJHDQ-CHWSQXEVSA-N 1 0 345.403 2.732 20 5 EFBDRO C[N@H+](Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000603187313 479296013 /nfs/dbraw/zinc/29/60/13/479296013.db2.gz RGPDLLBFJIGPDO-UHFFFAOYSA-N 1 0 329.404 2.999 20 5 EFBDRO Cc1c(Cn2cc(CC[NH+]3CCCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603196417 479298032 /nfs/dbraw/zinc/29/80/32/479298032.db2.gz JZGZJQDZAOXSLZ-UHFFFAOYSA-N 1 0 329.404 2.571 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CCOC4)CC3)n2)c1 ZINC000611177258 479302167 /nfs/dbraw/zinc/30/21/67/479302167.db2.gz CVFIOMPNKLWESH-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000596460965 479304927 /nfs/dbraw/zinc/30/49/27/479304927.db2.gz BYAOMBDIXNQGIM-KRWDZBQOSA-N 1 0 326.400 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000599472531 479307369 /nfs/dbraw/zinc/30/73/69/479307369.db2.gz ILDGKINZPQAQAA-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)CC2 ZINC000596483486 479313079 /nfs/dbraw/zinc/31/30/79/479313079.db2.gz PFCDIUQENJGOTB-UHFFFAOYSA-N 1 0 334.420 2.650 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596487589 479314723 /nfs/dbraw/zinc/31/47/23/479314723.db2.gz IICKTNWVBWMCQC-LBPRGKRZSA-N 1 0 345.403 2.776 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC[NH+](C)CC1 ZINC000611223416 479315625 /nfs/dbraw/zinc/31/56/25/479315625.db2.gz OOZGQYURXQDGQH-LBPRGKRZSA-N 1 0 342.399 2.603 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596497106 479318065 /nfs/dbraw/zinc/31/80/65/479318065.db2.gz WWWMBHXSTTWKIW-UHFFFAOYSA-N 1 0 332.404 2.838 20 5 EFBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596501457 479318601 /nfs/dbraw/zinc/31/86/01/479318601.db2.gz FKMWVNQPYVBADV-QGZVFWFLSA-N 1 0 340.383 2.991 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611254049 479324274 /nfs/dbraw/zinc/32/42/74/479324274.db2.gz KFXRYXCSIAKSTJ-BKSIFSGMSA-N 1 0 345.443 2.795 20 5 EFBDRO C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000574689078 479330408 /nfs/dbraw/zinc/33/04/08/479330408.db2.gz QUKQAHYIZINTOU-HUUCEWRRSA-N 1 0 333.432 2.937 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593413924 479330407 /nfs/dbraw/zinc/33/04/07/479330407.db2.gz HFZPAYRYCZZGJB-CYBMUJFWSA-N 1 0 339.411 2.903 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593413925 479330468 /nfs/dbraw/zinc/33/04/68/479330468.db2.gz HFZPAYRYCZZGJB-ZDUSSCGKSA-N 1 0 339.411 2.903 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271841 479331623 /nfs/dbraw/zinc/33/16/23/479331623.db2.gz CHWOHYHQFUDYLY-ZDUSSCGKSA-N 1 0 336.388 2.615 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272754 479332153 /nfs/dbraw/zinc/33/21/53/479332153.db2.gz QTMFIGRAZYSOMO-NSHDSACASA-N 1 0 326.418 2.939 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3[nH]nc4ccccc43)C2)nc1 ZINC000611272500 479332375 /nfs/dbraw/zinc/33/23/75/479332375.db2.gz HOOZKSHSUNRING-GFCCVEGCSA-N 1 0 338.371 2.553 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274321 479333637 /nfs/dbraw/zinc/33/36/37/479333637.db2.gz KDXGYKBUXFRJPL-AWEZNQCLSA-N 1 0 349.431 2.530 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000611280764 479335490 /nfs/dbraw/zinc/33/54/90/479335490.db2.gz MVJXURHVMHCGCJ-CQSZACIVSA-N 1 0 333.432 2.980 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c2c1 ZINC000596556318 479338459 /nfs/dbraw/zinc/33/84/59/479338459.db2.gz AMQVJGMHNRRVJI-INIZCTEOSA-N 1 0 349.394 2.646 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000599603028 479348261 /nfs/dbraw/zinc/34/82/61/479348261.db2.gz CWUJZVRDMHGVNP-BXKDBHETSA-N 1 0 346.309 2.586 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000574795461 479348760 /nfs/dbraw/zinc/34/87/60/479348760.db2.gz LKQUZFZWXRKGGA-GJZGRUSLSA-N 1 0 331.416 2.643 20 5 EFBDRO CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000596589696 479350672 /nfs/dbraw/zinc/35/06/72/479350672.db2.gz BUDJMHMVGHSNSS-INIZCTEOSA-N 1 0 340.383 2.672 20 5 EFBDRO O=C1[C@H]([NH+]2CCC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000586783084 479352375 /nfs/dbraw/zinc/35/23/75/479352375.db2.gz VCHIHTSDVFVNRJ-MRXNPFEDSA-N 1 0 329.400 2.966 20 5 EFBDRO COc1ccc(NC(=O)CN2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000599624834 479357561 /nfs/dbraw/zinc/35/75/61/479357561.db2.gz ZLCMJIDHYUMNRG-JTQLQIEISA-N 1 0 343.330 2.662 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-] ZINC000599630925 479360522 /nfs/dbraw/zinc/36/05/22/479360522.db2.gz VDYGGTVFGDGRKV-PBHICJAKSA-N 1 0 329.356 2.624 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593481307 479360593 /nfs/dbraw/zinc/36/05/93/479360593.db2.gz JOFIHMFXKJVOLI-DOMZBBRYSA-N 1 0 337.395 2.608 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1c([N+](=O)[O-])ncn1C ZINC000593483852 479361328 /nfs/dbraw/zinc/36/13/28/479361328.db2.gz JVDGSEMIMIMNQD-SOUVJXGZSA-N 1 0 343.431 2.816 20 5 EFBDRO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383427 479363304 /nfs/dbraw/zinc/36/33/04/479363304.db2.gz KHIWOZKOOAOOIQ-HNAYVOBHSA-N 1 0 343.427 2.738 20 5 EFBDRO COc1ccc(OCCN2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC000599645814 479366384 /nfs/dbraw/zinc/36/63/84/479366384.db2.gz FTOCDFCIAULRLU-UHFFFAOYSA-N 1 0 344.367 2.746 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000593503428 479368529 /nfs/dbraw/zinc/36/85/29/479368529.db2.gz KBXGLPCYFSFKCR-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO CC1CC[NH+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602505611 479371729 /nfs/dbraw/zinc/37/17/29/479371729.db2.gz ZRVNSXRWMBQEPX-UHFFFAOYSA-N 1 0 332.404 2.948 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000611413145 479372210 /nfs/dbraw/zinc/37/22/10/479372210.db2.gz UNUXTDMONQDAJC-INIZCTEOSA-N 1 0 333.413 2.705 20 5 EFBDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602510133 479374973 /nfs/dbraw/zinc/37/49/73/479374973.db2.gz QZSCTPRAUORFKV-VIFPVBQESA-N 1 0 348.266 2.993 20 5 EFBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513015 479376427 /nfs/dbraw/zinc/37/64/27/479376427.db2.gz ZGBCFSBBNLPUFZ-MRVPVSSYSA-N 1 0 345.222 2.794 20 5 EFBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602511903 479376444 /nfs/dbraw/zinc/37/64/44/479376444.db2.gz SDIKTEDAMGOFAG-UHFFFAOYSA-N 1 0 330.388 2.692 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587972459 479377648 /nfs/dbraw/zinc/37/76/48/479377648.db2.gz IYEORNPUTJMISG-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO CCNC(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602520663 479378645 /nfs/dbraw/zinc/37/86/45/479378645.db2.gz LAANRSMWVBUCMR-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602518105 479378795 /nfs/dbraw/zinc/37/87/95/479378795.db2.gz NNOKEPZXMJAFKN-SNVBAGLBSA-N 1 0 345.321 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000602526765 479382026 /nfs/dbraw/zinc/38/20/26/479382026.db2.gz PPAIDKWHAISDPD-INIZCTEOSA-N 1 0 332.375 2.717 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527740 479382581 /nfs/dbraw/zinc/38/25/81/479382581.db2.gz KRLZSMAASKFMSC-DOMZBBRYSA-N 1 0 337.445 2.532 20 5 EFBDRO CCN(Cc1ccccc1)C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602531611 479383846 /nfs/dbraw/zinc/38/38/46/479383846.db2.gz YLJBWXGEXWEMTR-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599673899 479383878 /nfs/dbraw/zinc/38/38/78/479383878.db2.gz VMWIOKMHCRKRET-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO CC[C@@]1(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000588041248 479386413 /nfs/dbraw/zinc/38/64/13/479386413.db2.gz AVMBDBLOQHLSCU-QGZVFWFLSA-N 1 0 328.372 2.763 20 5 EFBDRO CC(=O)Nc1cccc(OCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602539585 479386790 /nfs/dbraw/zinc/38/67/90/479386790.db2.gz RJMNLPOQZSTGFD-UHFFFAOYSA-N 1 0 343.383 2.764 20 5 EFBDRO COc1ccc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1[N+](=O)[O-] ZINC000602539477 479387488 /nfs/dbraw/zinc/38/74/88/479387488.db2.gz GOFOVUCIEXCUKG-UHFFFAOYSA-N 1 0 341.367 2.655 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541496 479388352 /nfs/dbraw/zinc/38/83/52/479388352.db2.gz PNGOVZMWKHCKNA-ZWNOBZJWSA-N 1 0 345.321 2.503 20 5 EFBDRO COC(=O)c1csc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000602540552 479388714 /nfs/dbraw/zinc/38/87/14/479388714.db2.gz PNUPFOPXNAQPIR-UHFFFAOYSA-N 1 0 336.369 2.612 20 5 EFBDRO COc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000588053688 479388783 /nfs/dbraw/zinc/38/87/83/479388783.db2.gz ZIDXQARGXDVMBK-KRWDZBQOSA-N 1 0 341.411 2.967 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541212 479388946 /nfs/dbraw/zinc/38/89/46/479388946.db2.gz OGNGYNNAKWAOSF-GHMZBOCLSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1c(CC(=O)N2CCCc3cccc(C[NH3+])c32)cccc1[N+](=O)[O-] ZINC000602540807 479389166 /nfs/dbraw/zinc/38/91/66/479389166.db2.gz UCHANJOLUUGFNS-UHFFFAOYSA-N 1 0 339.395 2.884 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000588072500 479389288 /nfs/dbraw/zinc/38/92/88/479389288.db2.gz RWLXZMBLJCHLAH-UHFFFAOYSA-N 1 0 349.394 2.859 20 5 EFBDRO CN(c1ncnc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073615 479390228 /nfs/dbraw/zinc/39/02/28/479390228.db2.gz PACPNGSDOHBHRR-ONXXMXGDSA-N 1 0 327.388 2.599 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588085499 479391015 /nfs/dbraw/zinc/39/10/15/479391015.db2.gz PSHDPKQNPCMTMT-WBMJQRKESA-N 1 0 327.388 2.601 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(O)CCCC2)cc1Br ZINC000602547077 479391422 /nfs/dbraw/zinc/39/14/22/479391422.db2.gz PNFRGYUDJKKXFY-UHFFFAOYSA-N 1 0 335.223 2.814 20 5 EFBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602550673 479392717 /nfs/dbraw/zinc/39/27/17/479392717.db2.gz MKGLHDLUWRSUIV-GFCCVEGCSA-N 1 0 338.351 2.817 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000602547776 479392852 /nfs/dbraw/zinc/39/28/52/479392852.db2.gz OOCRTEXATHRARZ-ZDUSSCGKSA-N 1 0 348.321 2.899 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000602547775 479393081 /nfs/dbraw/zinc/39/30/81/479393081.db2.gz OOCRTEXATHRARZ-CYBMUJFWSA-N 1 0 348.321 2.899 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000575060727 479396667 /nfs/dbraw/zinc/39/66/67/479396667.db2.gz LFCITHAQFURVDH-NXEZZACHSA-N 1 0 334.401 2.574 20 5 EFBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602557771 479397194 /nfs/dbraw/zinc/39/71/94/479397194.db2.gz ILKUPTNOTDRITE-HTQZYQBOSA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560943 479398194 /nfs/dbraw/zinc/39/81/94/479398194.db2.gz OHFGPPWQXOASKR-RKDXNWHRSA-N 1 0 348.266 2.991 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(F)c1 ZINC000593619659 479405134 /nfs/dbraw/zinc/40/51/34/479405134.db2.gz BCXFGKZTBMJCNI-UHFFFAOYSA-N 1 0 334.351 2.776 20 5 EFBDRO C[N@H+]1CC=C(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602580158 479408849 /nfs/dbraw/zinc/40/88/49/479408849.db2.gz DLKXKMGHRCJQJF-UHFFFAOYSA-N 1 0 346.250 2.770 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCO1 ZINC000602581770 479408949 /nfs/dbraw/zinc/40/89/49/479408949.db2.gz RLMDBPBKJHAKCF-CVEARBPZSA-N 1 0 334.420 2.506 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)CC2CC2)cc1Br ZINC000602583466 479409928 /nfs/dbraw/zinc/40/99/28/479409928.db2.gz WYPJBNQDQFBPNX-MRVPVSSYSA-N 1 0 335.223 2.669 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000603589771 479410400 /nfs/dbraw/zinc/41/04/00/479410400.db2.gz AJKDBEUBDOXTCI-UHFFFAOYSA-N 1 0 335.385 2.979 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCCO1 ZINC000602587081 479412048 /nfs/dbraw/zinc/41/20/48/479412048.db2.gz ONYCBELBWIMROY-BBRMVZONSA-N 1 0 334.420 2.506 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C2(CO)CCCC2)cc1Br ZINC000602587467 479412486 /nfs/dbraw/zinc/41/24/86/479412486.db2.gz HMRLZIAWWCIRIR-UHFFFAOYSA-N 1 0 335.223 2.814 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCN1CCSCC1 ZINC000602595584 479416536 /nfs/dbraw/zinc/41/65/36/479416536.db2.gz ZKTWHEOIBWYKNU-UHFFFAOYSA-N 1 0 349.378 2.752 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000603661576 479417417 /nfs/dbraw/zinc/41/74/17/479417417.db2.gz FMFOAHRJYYBTBA-UHFFFAOYSA-N 1 0 346.383 2.993 20 5 EFBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593681251 479421322 /nfs/dbraw/zinc/42/13/22/479421322.db2.gz BQJWGTJISMIESS-STQMWFEESA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000588432614 479421887 /nfs/dbraw/zinc/42/18/87/479421887.db2.gz WOCWOTCORRDACP-HYXAFXHYSA-N 1 0 332.400 2.737 20 5 EFBDRO CCN1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000593684803 479422577 /nfs/dbraw/zinc/42/25/77/479422577.db2.gz BBOHPPWXEVXODK-ZDUSSCGKSA-N 1 0 343.383 2.813 20 5 EFBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000593684792 479422974 /nfs/dbraw/zinc/42/29/74/479422974.db2.gz AZUBTZAZEHNQBV-CYBMUJFWSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@]3(O)CCCOC3)o2)c1 ZINC000593691033 479424432 /nfs/dbraw/zinc/42/44/32/479424432.db2.gz JNEYANZUJIYSHT-GOSISDBHSA-N 1 0 346.383 2.876 20 5 EFBDRO C[NH+](C)CC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602614777 479424851 /nfs/dbraw/zinc/42/48/51/479424851.db2.gz DBYMGEXUFCIEIW-UHFFFAOYSA-N 1 0 332.404 2.948 20 5 EFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617209 479425405 /nfs/dbraw/zinc/42/54/05/479425405.db2.gz BKVNMXGAIRAQNF-UFUPEUMYSA-N 1 0 335.223 2.836 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1O ZINC000602620695 479428554 /nfs/dbraw/zinc/42/85/54/479428554.db2.gz DGRPNYJJXBKKEF-BDAKNGLRSA-N 1 0 335.223 2.668 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620696 479429060 /nfs/dbraw/zinc/42/90/60/479429060.db2.gz DGRPNYJJXBKKEF-DTWKUNHWSA-N 1 0 335.223 2.668 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593717552 479432910 /nfs/dbraw/zinc/43/29/10/479432910.db2.gz CYGGCBWMTVBSSQ-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000593722118 479433870 /nfs/dbraw/zinc/43/38/70/479433870.db2.gz UFSVIXQUNQRRRZ-CYBMUJFWSA-N 1 0 349.406 2.609 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000593719549 479434038 /nfs/dbraw/zinc/43/40/38/479434038.db2.gz FIORSQBHJQLCHZ-FUHWJXTLSA-N 1 0 334.416 2.838 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@]1(O)CCCOC1)CCCC2 ZINC000593722275 479434173 /nfs/dbraw/zinc/43/41/73/479434173.db2.gz WOBFRINPBYZWDE-ZWKOTPCHSA-N 1 0 334.416 2.884 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593720957 479434255 /nfs/dbraw/zinc/43/42/55/479434255.db2.gz NMXWLSFFWNCOEM-CXAGYDPISA-N 1 0 338.404 2.576 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593723078 479435027 /nfs/dbraw/zinc/43/50/27/479435027.db2.gz YGWDQIDWNPFXHM-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO Cc1c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000603848826 479438201 /nfs/dbraw/zinc/43/82/01/479438201.db2.gz XONJFUQQSGDGCD-QGZVFWFLSA-N 1 0 333.432 2.590 20 5 EFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000603854062 479438807 /nfs/dbraw/zinc/43/88/07/479438807.db2.gz NDJHXEZNULJXGZ-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000602641483 479442808 /nfs/dbraw/zinc/44/28/08/479442808.db2.gz SCFBGFRBQQLJGK-SMDDNHRTSA-N 1 0 348.321 2.755 20 5 EFBDRO CCc1nn(C)c(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000575476810 479446096 /nfs/dbraw/zinc/44/60/96/479446096.db2.gz IPNLOWBVXUFIGU-UHFFFAOYSA-N 1 0 349.479 2.983 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000575450160 479446468 /nfs/dbraw/zinc/44/64/68/479446468.db2.gz STTRBHDZDZATLN-DYVFJYSZSA-N 1 0 348.374 2.867 20 5 EFBDRO C[NH+](C)C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000611699921 479448847 /nfs/dbraw/zinc/44/88/47/479448847.db2.gz KFWJCSTVDIOZAO-UHFFFAOYSA-N 1 0 329.404 2.636 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651979 479449548 /nfs/dbraw/zinc/44/95/48/479449548.db2.gz BIPRAAOVSDGNNO-IUODEOHRSA-N 1 0 330.388 2.795 20 5 EFBDRO O=C(CC[N@@H+]1CCOc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000603909058 479449775 /nfs/dbraw/zinc/44/97/75/479449775.db2.gz FKVLDIVGOCXWFB-UHFFFAOYSA-N 1 0 341.367 2.818 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611701893 479450057 /nfs/dbraw/zinc/45/00/57/479450057.db2.gz RQWCOWUUEWUNIB-OKILXGFUSA-N 1 0 343.431 2.740 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611700665 479450304 /nfs/dbraw/zinc/45/03/04/479450304.db2.gz BZAUIKRHZHUJEN-HNNXBMFYSA-N 1 0 343.412 2.736 20 5 EFBDRO C[S@](=O)Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602657097 479452919 /nfs/dbraw/zinc/45/29/19/479452919.db2.gz WNKPQRYIMAEEAY-QHCPKHFHSA-N 1 0 332.425 2.806 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611710726 479453731 /nfs/dbraw/zinc/45/37/31/479453731.db2.gz UWCZHWBVPPAJAR-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2=CCCOC2)cc1Br ZINC000602662536 479457719 /nfs/dbraw/zinc/45/77/19/479457719.db2.gz ORTPOWVHXXCMCR-UHFFFAOYSA-N 1 0 333.207 2.855 20 5 EFBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)n1 ZINC000602673219 479467605 /nfs/dbraw/zinc/46/76/05/479467605.db2.gz PXYGEVBOMNRTDR-UHFFFAOYSA-N 1 0 341.415 2.626 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602677074 479468066 /nfs/dbraw/zinc/46/80/66/479468066.db2.gz RPKMSEHTDPHIKQ-JTQLQIEISA-N 1 0 335.223 2.933 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1Br ZINC000602675892 479468819 /nfs/dbraw/zinc/46/88/19/479468819.db2.gz AGSBDRMCJJKRJR-SFYZADRCSA-N 1 0 335.223 2.669 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596881138 479470369 /nfs/dbraw/zinc/47/03/69/479470369.db2.gz IORZRJYQAZRSLC-AWEZNQCLSA-N 1 0 334.420 2.613 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602680199 479470554 /nfs/dbraw/zinc/47/05/54/479470554.db2.gz KAGFZQZBAJUSPM-CYBMUJFWSA-N 1 0 344.419 2.526 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596882366 479470911 /nfs/dbraw/zinc/47/09/11/479470911.db2.gz QKZXUFOGMYVJNV-OAHLLOKOSA-N 1 0 346.431 2.753 20 5 EFBDRO CCC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)COC1 ZINC000602681516 479472147 /nfs/dbraw/zinc/47/21/47/479472147.db2.gz AZZUWJUEUQFURR-UHFFFAOYSA-N 1 0 335.223 2.935 20 5 EFBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(C)n1 ZINC000602697808 479483722 /nfs/dbraw/zinc/48/37/22/479483722.db2.gz MHBXRZFESASKBZ-UHFFFAOYSA-N 1 0 341.415 2.760 20 5 EFBDRO CC1(C)CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000602698237 479484252 /nfs/dbraw/zinc/48/42/52/479484252.db2.gz MSJMJZNYUVNLOE-LBPRGKRZSA-N 1 0 348.321 2.585 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602699984 479485704 /nfs/dbraw/zinc/48/57/04/479485704.db2.gz PYRVVCXELDBRTL-HZPDHXFCSA-N 1 0 334.420 2.506 20 5 EFBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000599985787 479487356 /nfs/dbraw/zinc/48/73/56/479487356.db2.gz IQYAXXBNQYPSFQ-UHFFFAOYSA-N 1 0 331.372 2.897 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000602703281 479489518 /nfs/dbraw/zinc/48/95/18/479489518.db2.gz XNUDXQYNJNKUIY-BXKDBHETSA-N 1 0 346.305 2.855 20 5 EFBDRO CCC1(O)CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618571497 479496398 /nfs/dbraw/zinc/49/63/98/479496398.db2.gz XHGKYRILZROTDZ-GWUWNPHMSA-N 1 0 336.436 2.948 20 5 EFBDRO CNC(=O)CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000602719236 479502221 /nfs/dbraw/zinc/50/22/21/479502221.db2.gz WQFFLGUBGUQZCE-UHFFFAOYSA-N 1 0 333.432 2.814 20 5 EFBDRO CCC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OCC ZINC000602722021 479504458 /nfs/dbraw/zinc/50/44/58/479504458.db2.gz ZFELVAYSZSEFHC-INIZCTEOSA-N 1 0 336.436 2.753 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593915185 479507086 /nfs/dbraw/zinc/50/70/86/479507086.db2.gz SBAVLSFTARBBKK-IGCXYCKISA-N 1 0 349.456 2.663 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593915700 479507922 /nfs/dbraw/zinc/50/79/22/479507922.db2.gz KEWPSTWZTCTXHR-QMTHXVAHSA-N 1 0 325.796 2.838 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589320772 479512325 /nfs/dbraw/zinc/51/23/25/479512325.db2.gz MGNQEZJHHFDACO-ZROIWOOFSA-N 1 0 339.395 2.816 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589344850 479516874 /nfs/dbraw/zinc/51/68/74/479516874.db2.gz QUMWLDVCZQSWKX-CYBMUJFWSA-N 1 0 327.384 2.782 20 5 EFBDRO COC1(CO)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000618621280 479518316 /nfs/dbraw/zinc/51/83/16/479518316.db2.gz IHBFFVKWFPHCPP-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cn1 ZINC000600108957 479520772 /nfs/dbraw/zinc/52/07/72/479520772.db2.gz FDUARADAPBFLTB-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)c1 ZINC000600113374 479522438 /nfs/dbraw/zinc/52/24/38/479522438.db2.gz RVUQZKOIXOSEIO-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000604475701 479522970 /nfs/dbraw/zinc/52/29/70/479522970.db2.gz VFQVQTZFZIGRLW-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602743677 479524975 /nfs/dbraw/zinc/52/49/75/479524975.db2.gz WFCRCIVQDMNEGU-LJQANCHMSA-N 1 0 344.411 2.729 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604491273 479526907 /nfs/dbraw/zinc/52/69/07/479526907.db2.gz DTYYHVYKSWKUNH-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611938890 479527813 /nfs/dbraw/zinc/52/78/13/479527813.db2.gz BLYJZOWGSPJAAM-ZDUSSCGKSA-N 1 0 328.372 2.896 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940370 479529113 /nfs/dbraw/zinc/52/91/13/479529113.db2.gz ZFCGDJJTAIHFFF-QWHCGFSZSA-N 1 0 328.372 2.976 20 5 EFBDRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576084905 479533268 /nfs/dbraw/zinc/53/32/68/479533268.db2.gz NJCZAEXQOMQXHL-UKRRQHHQSA-N 1 0 331.416 2.831 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCc2cccc(C(F)(F)F)c2)c1 ZINC000600142840 479540825 /nfs/dbraw/zinc/54/08/25/479540825.db2.gz RCEFLNAQNNUYNX-UHFFFAOYSA-N 1 0 328.294 2.642 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000594001630 479542323 /nfs/dbraw/zinc/54/23/23/479542323.db2.gz ZJHWRSCOKAUFRD-UHFFFAOYSA-N 1 0 332.379 2.693 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000576116756 479544193 /nfs/dbraw/zinc/54/41/93/479544193.db2.gz MELFKVPHHRHPTB-QGZVFWFLSA-N 1 0 346.431 2.581 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000604561567 479544863 /nfs/dbraw/zinc/54/48/63/479544863.db2.gz GPVNUQYTUSDXKH-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000602776232 479545033 /nfs/dbraw/zinc/54/50/33/479545033.db2.gz AXTUBXCSBLBHQO-HNNXBMFYSA-N 1 0 332.379 2.803 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000602779549 479547070 /nfs/dbraw/zinc/54/70/70/479547070.db2.gz IEUVJEGEKLMDCP-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO COc1ccccc1[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781576 479547726 /nfs/dbraw/zinc/54/77/26/479547726.db2.gz TZPLVHOBCGWGEU-AWEZNQCLSA-N 1 0 330.388 2.598 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000602782251 479547754 /nfs/dbraw/zinc/54/77/54/479547754.db2.gz PBJRUHZQPWAVLF-HNNXBMFYSA-N 1 0 332.429 2.890 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4n[nH]cc43)CC2)n1 ZINC000600157052 479550142 /nfs/dbraw/zinc/55/01/42/479550142.db2.gz YLVURUOHGRFJRQ-UHFFFAOYSA-N 1 0 326.360 2.505 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000594021667 479554250 /nfs/dbraw/zinc/55/42/50/479554250.db2.gz YLCYUAHDBMHFSK-UHFFFAOYSA-N 1 0 349.431 2.768 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC000576172091 479556356 /nfs/dbraw/zinc/55/63/56/479556356.db2.gz DBBXVXMFZPRJJU-CXAGYDPISA-N 1 0 328.368 2.612 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594027602 479557356 /nfs/dbraw/zinc/55/73/56/479557356.db2.gz XAMFFBMADLCINF-KRWDZBQOSA-N 1 0 347.415 2.957 20 5 EFBDRO Cc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687939 479559771 /nfs/dbraw/zinc/55/97/71/479559771.db2.gz ZBDCVLYZLOGOCH-CYBMUJFWSA-N 1 0 336.411 2.623 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000602802134 479563439 /nfs/dbraw/zinc/56/34/39/479563439.db2.gz OOBYJHAUWKLHPU-UHFFFAOYSA-N 1 0 328.294 2.649 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@]1(CO)CCOC1 ZINC000600178638 479566239 /nfs/dbraw/zinc/56/62/39/479566239.db2.gz NGMLNIJFBRTSGX-KRWDZBQOSA-N 1 0 348.424 2.907 20 5 EFBDRO CC[N@H+](CCC(F)(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065640 479570013 /nfs/dbraw/zinc/57/00/13/479570013.db2.gz ZBBSFVRRTFLFTN-NSHDSACASA-N 1 0 336.310 2.609 20 5 EFBDRO COCCC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000600187226 479572030 /nfs/dbraw/zinc/57/20/30/479572030.db2.gz CUFIDSDITOOKGR-UHFFFAOYSA-N 1 0 338.404 2.861 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCCCC2 ZINC000602820382 479574891 /nfs/dbraw/zinc/57/48/91/479574891.db2.gz KCIRWIOLTSWIPQ-LSDHHAIUSA-N 1 0 336.436 2.817 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCCCC2 ZINC000602820379 479574945 /nfs/dbraw/zinc/57/49/45/479574945.db2.gz KCIRWIOLTSWIPQ-GJZGRUSLSA-N 1 0 336.436 2.817 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000602826723 479578053 /nfs/dbraw/zinc/57/80/53/479578053.db2.gz JJRYETBTAPEZTG-CABCVRRESA-N 1 0 346.431 2.586 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594077866 479581439 /nfs/dbraw/zinc/58/14/39/479581439.db2.gz BAOFLUBHMMFOER-UONOGXRCSA-N 1 0 348.403 2.742 20 5 EFBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000602833297 479582641 /nfs/dbraw/zinc/58/26/41/479582641.db2.gz NMJOPOVSIKRUBW-AWEZNQCLSA-N 1 0 338.795 2.730 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589939142 479583610 /nfs/dbraw/zinc/58/36/10/479583610.db2.gz ULUSQKAMMFWZLT-GWCFXTLKSA-N 1 0 334.294 2.539 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589939144 479583790 /nfs/dbraw/zinc/58/37/90/479583790.db2.gz ULUSQKAMMFWZLT-GXFFZTMASA-N 1 0 334.294 2.539 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000602841923 479586869 /nfs/dbraw/zinc/58/68/69/479586869.db2.gz UNMOMLWCGQCXSX-KRWDZBQOSA-N 1 0 344.415 2.593 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845352 479589857 /nfs/dbraw/zinc/58/98/57/479589857.db2.gz IDMYDNJZIQHOSF-UHFFFAOYSA-N 1 0 342.399 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602890326 479613653 /nfs/dbraw/zinc/61/36/53/479613653.db2.gz HFPKKNCTYHFIMZ-JKSUJKDBSA-N 1 0 338.379 2.534 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCC[C@@H]21 ZINC000590203730 479617154 /nfs/dbraw/zinc/61/71/54/479617154.db2.gz QPFJBCSMGLAYFW-DOTOQJQBSA-N 1 0 343.427 2.994 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1COCCO1 ZINC000597206645 479619502 /nfs/dbraw/zinc/61/95/02/479619502.db2.gz PSPDUARIFMMTLQ-INIZCTEOSA-N 1 0 332.356 2.702 20 5 EFBDRO Cc1cccc(C)c1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859903 479620966 /nfs/dbraw/zinc/62/09/66/479620966.db2.gz UXZISTPJJAIWSL-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594195424 479625319 /nfs/dbraw/zinc/62/53/19/479625319.db2.gz GYDAQJXKKPFOHM-IAOVAPTHSA-N 1 0 331.416 2.831 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597220725 479626944 /nfs/dbraw/zinc/62/69/44/479626944.db2.gz GLPKRSVNUFEUNP-ARLBYUKCSA-N 1 0 332.400 2.847 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198709 479629273 /nfs/dbraw/zinc/62/92/73/479629273.db2.gz VEJGFQKJQNUVCV-IRXDYDNUSA-N 1 0 331.416 2.661 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199399 479629381 /nfs/dbraw/zinc/62/93/81/479629381.db2.gz YIOPHDNJWYONBB-ZIAGYGMSSA-N 1 0 347.415 2.740 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000590344427 479634022 /nfs/dbraw/zinc/63/40/22/479634022.db2.gz MBLKAEGGCJUTSR-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@@]3(CCCO3)[C@@H]1C1CC1)OCCO2 ZINC000590381007 479637383 /nfs/dbraw/zinc/63/73/83/479637383.db2.gz UDCSRKPDBLWQNU-ROUUACIJSA-N 1 0 346.383 2.509 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000612346089 479650964 /nfs/dbraw/zinc/65/09/64/479650964.db2.gz DTRJJDQOSOYDDL-UHFFFAOYSA-N 1 0 332.385 2.787 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602958409 479651146 /nfs/dbraw/zinc/65/11/46/479651146.db2.gz XLGVCBHMUIDBRB-JTQLQIEISA-N 1 0 334.401 2.957 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602958411 479651320 /nfs/dbraw/zinc/65/13/20/479651320.db2.gz XLGVCBHMUIDBRB-SNVBAGLBSA-N 1 0 334.401 2.957 20 5 EFBDRO COc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590568764 479661177 /nfs/dbraw/zinc/66/11/77/479661177.db2.gz BVXZKZJVUGXSHS-OKILXGFUSA-N 1 0 337.420 2.823 20 5 EFBDRO Cc1ccc([C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000590594786 479665159 /nfs/dbraw/zinc/66/51/59/479665159.db2.gz RHJNJHXJUYRTGB-AWEZNQCLSA-N 1 0 335.448 2.789 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000590601156 479666999 /nfs/dbraw/zinc/66/69/99/479666999.db2.gz OURWFJMYTJYVJS-QGZVFWFLSA-N 1 0 329.400 2.882 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000590601354 479667251 /nfs/dbraw/zinc/66/72/51/479667251.db2.gz SHXYIUNUGXFIBI-MRXNPFEDSA-N 1 0 331.416 2.640 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000612461815 479677235 /nfs/dbraw/zinc/67/72/35/479677235.db2.gz WYDHBSRQAOEXTH-JTQLQIEISA-N 1 0 335.360 2.938 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000619516189 479816298 /nfs/dbraw/zinc/81/62/98/479816298.db2.gz SREYQAULWKBEEV-UHFFFAOYSA-N 1 0 343.330 2.663 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000619532018 479820607 /nfs/dbraw/zinc/82/06/07/479820607.db2.gz XNRXCWQQFCJRAM-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000616091246 479823514 /nfs/dbraw/zinc/82/35/14/479823514.db2.gz ZMYDUTAQJPYZDU-UHFFFAOYSA-N 1 0 338.404 2.917 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000619583426 479835304 /nfs/dbraw/zinc/83/53/04/479835304.db2.gz PISLHXWYTLSJBB-CQSZACIVSA-N 1 0 349.431 2.519 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000619716820 479864319 /nfs/dbraw/zinc/86/43/19/479864319.db2.gz PNBOFDBUCFUVIB-UHFFFAOYSA-N 1 0 335.404 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609553546 480174503 /nfs/dbraw/zinc/17/45/03/480174503.db2.gz YUONSDHOOWIPPR-LBPRGKRZSA-N 1 0 336.392 2.598 20 5 EFBDRO O=[N+]([O-])c1ncccc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000609797317 480207299 /nfs/dbraw/zinc/20/72/99/480207299.db2.gz JNXUPHYSAYDJHK-UHFFFAOYSA-N 1 0 346.416 2.534 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609833688 480211286 /nfs/dbraw/zinc/21/12/86/480211286.db2.gz UOWUJPFSJQZGSK-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000609848395 480211703 /nfs/dbraw/zinc/21/17/03/480211703.db2.gz BAWPKRQQDXVVEC-KRWDZBQOSA-N 1 0 337.383 2.675 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609851249 480212998 /nfs/dbraw/zinc/21/29/98/480212998.db2.gz YXJJEERHMQDALJ-CQSZACIVSA-N 1 0 346.431 2.773 20 5 EFBDRO C[C@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614191509 480221188 /nfs/dbraw/zinc/22/11/88/480221188.db2.gz HDAMIGQVZQGRIK-BBRMVZONSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610065325 480234473 /nfs/dbraw/zinc/23/44/73/480234473.db2.gz WSKYXDLATOLXDN-CYBMUJFWSA-N 1 0 333.432 2.719 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610125504 480241637 /nfs/dbraw/zinc/24/16/37/480241637.db2.gz AGTBVTZHZOVXRW-GXTWGEPZSA-N 1 0 334.420 2.581 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000614261273 480248553 /nfs/dbraw/zinc/24/85/53/480248553.db2.gz VWBSWPKFFKEJFD-AWEZNQCLSA-N 1 0 329.404 2.531 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000610279193 480270027 /nfs/dbraw/zinc/27/00/27/480270027.db2.gz DPHUIQBGCBJGQH-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO COc1cccc2c1OC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000617574352 480284939 /nfs/dbraw/zinc/28/49/39/480284939.db2.gz CMOGOHDBVDKBEO-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000614445240 480309565 /nfs/dbraw/zinc/30/95/65/480309565.db2.gz PRHYSHRBFWRDQS-LBPRGKRZSA-N 1 0 335.429 2.531 20 5 EFBDRO COCCN(Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581286 480342520 /nfs/dbraw/zinc/34/25/20/480342520.db2.gz ZNWKRJZRTGWJCW-UHFFFAOYSA-N 1 0 331.328 2.978 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617753243 480352188 /nfs/dbraw/zinc/35/21/88/480352188.db2.gz LXLMFOBIKXDJLX-PBHICJAKSA-N 1 0 345.443 2.889 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610642972 480354347 /nfs/dbraw/zinc/35/43/47/480354347.db2.gz DQOLDJGQALMAFZ-UONOGXRCSA-N 1 0 348.447 2.994 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000610717236 480373298 /nfs/dbraw/zinc/37/32/98/480373298.db2.gz CVZIHAOVZARIJS-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618306371 480614484 /nfs/dbraw/zinc/61/44/84/480614484.db2.gz AKRAMMUHMJOGPM-SJCJKPOMSA-N 1 0 340.383 2.725 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183577797 533794758 /nfs/dbraw/zinc/79/47/58/533794758.db2.gz DTXSAPFITMABJW-OKILXGFUSA-N 1 0 349.435 2.869 20 5 EFBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000184195655 533805991 /nfs/dbraw/zinc/80/59/91/533805991.db2.gz JNZVIUFASREGRH-AWEZNQCLSA-N 1 0 337.395 2.803 20 5 EFBDRO Cc1c(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161777526 533830944 /nfs/dbraw/zinc/83/09/44/533830944.db2.gz IAYFJWAJNDTFMS-GASCZTMLSA-N 1 0 347.459 2.930 20 5 EFBDRO COc1cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000189834891 533877566 /nfs/dbraw/zinc/87/75/66/533877566.db2.gz NELCFTOWOWLUKQ-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N(C)C ZINC000191731609 533912355 /nfs/dbraw/zinc/91/23/55/533912355.db2.gz XGJPJJKUBOVOIW-NSHDSACASA-N 1 0 333.413 2.890 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183363994 534007213 /nfs/dbraw/zinc/00/72/13/534007213.db2.gz UYFPEPJOEFRVBF-GFCCVEGCSA-N 1 0 337.445 2.581 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000191345438 534055752 /nfs/dbraw/zinc/05/57/52/534055752.db2.gz ODIVEWSKFOHCGY-UONOGXRCSA-N 1 0 332.404 2.912 20 5 EFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000090177809 518719082 /nfs/dbraw/zinc/71/90/82/518719082.db2.gz RSDAIHHNGZHDGS-JKSUJKDBSA-N 1 0 345.443 2.905 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000231072043 519813921 /nfs/dbraw/zinc/81/39/21/519813921.db2.gz QJWRPRUGLMUVAK-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000156150506 519845723 /nfs/dbraw/zinc/84/57/23/519845723.db2.gz XKMMQQODASJRFZ-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117801205 520403379 /nfs/dbraw/zinc/40/33/79/520403379.db2.gz VAAFXRHKODNPEJ-UHFFFAOYSA-N 1 0 327.812 2.639 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067272582 520909374 /nfs/dbraw/zinc/90/93/74/520909374.db2.gz PXFUVWALDQFSKI-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000115255640 520943873 /nfs/dbraw/zinc/94/38/73/520943873.db2.gz BQXCIPAGURTVLQ-UHFFFAOYSA-N 1 0 331.416 2.931 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000056746317 521003360 /nfs/dbraw/zinc/00/33/60/521003360.db2.gz UVWXCHJVWJECJX-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO CC[NH+]1CCC(N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000157485512 521563765 /nfs/dbraw/zinc/56/37/65/521563765.db2.gz HCQUQIZHNJWNNA-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182270143 521608654 /nfs/dbraw/zinc/60/86/54/521608654.db2.gz YSFIQMCQOIVZJL-UHFFFAOYSA-N 1 0 345.346 2.658 20 5 EFBDRO CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000157888360 521681954 /nfs/dbraw/zinc/68/19/54/521681954.db2.gz FHSPQECAGOQILM-GFCCVEGCSA-N 1 0 342.237 2.931 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000072005084 522016293 /nfs/dbraw/zinc/01/62/93/522016293.db2.gz IYMMPIZTFOLJNA-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067207702 522107809 /nfs/dbraw/zinc/10/78/09/522107809.db2.gz KSNNOFRALQQGQL-KRWDZBQOSA-N 1 0 339.395 2.657 20 5 EFBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693962 522394519 /nfs/dbraw/zinc/39/45/19/522394519.db2.gz AZKLAYRJMSGDKB-UKRRQHHQSA-N 1 0 349.431 2.528 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180988460 522810519 /nfs/dbraw/zinc/81/05/19/522810519.db2.gz WRKFBTJKWRRTBK-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000177077298 522859714 /nfs/dbraw/zinc/85/97/14/522859714.db2.gz VQIDENFANBUPIW-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177067332 522862135 /nfs/dbraw/zinc/86/21/35/522862135.db2.gz QNOCCDTYVAFZJD-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C)COC3)o2)c([N+](=O)[O-])c1 ZINC000112711788 523131098 /nfs/dbraw/zinc/13/10/98/523131098.db2.gz YALTWYDFSGFVCV-UHFFFAOYSA-N 1 0 332.356 2.990 20 5 EFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000063829599 523614269 /nfs/dbraw/zinc/61/42/69/523614269.db2.gz MHCNJSRXNUIYRK-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000078491146 523768640 /nfs/dbraw/zinc/76/86/40/523768640.db2.gz FGOHITJMNZZCDX-UHFFFAOYSA-N 1 0 333.344 2.517 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155160752 523887229 /nfs/dbraw/zinc/88/72/29/523887229.db2.gz ZDCBOLPCVFKYKE-HOTGVXAUSA-N 1 0 331.416 2.714 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000151081575 524058820 /nfs/dbraw/zinc/05/88/20/524058820.db2.gz NXLGYAPDOZKIPE-UHFFFAOYSA-N 1 0 345.374 2.871 20 5 EFBDRO CN(CC[NH+](C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000080389878 524060472 /nfs/dbraw/zinc/06/04/72/524060472.db2.gz RCZVZRBXIYGMOD-UHFFFAOYSA-N 1 0 342.399 2.972 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061011986 524071669 /nfs/dbraw/zinc/07/16/69/524071669.db2.gz RLQIIODIVBLAJA-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068211044 524339891 /nfs/dbraw/zinc/33/98/91/524339891.db2.gz OLHPIDOPVXIWAX-LSDHHAIUSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000155166694 524533787 /nfs/dbraw/zinc/53/37/87/524533787.db2.gz CIJHZYCAJZLPFF-ZDUSSCGKSA-N 1 0 340.383 2.772 20 5 EFBDRO C[C@]1(C[NH3+])CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000262121051 525244317 /nfs/dbraw/zinc/24/43/17/525244317.db2.gz WGRABQLOLCRIDH-MRXNPFEDSA-N 1 0 346.412 2.529 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000067793063 525448082 /nfs/dbraw/zinc/44/80/82/525448082.db2.gz IMRQBMYTVJVZFW-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000067547826 525449324 /nfs/dbraw/zinc/44/93/24/525449324.db2.gz ZBZLFHMBBASGMF-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178648774 525450162 /nfs/dbraw/zinc/45/01/62/525450162.db2.gz FJLPGZLPXAFORI-GFCCVEGCSA-N 1 0 331.347 2.815 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174557042 525455991 /nfs/dbraw/zinc/45/59/91/525455991.db2.gz WCSVWRBLWFESLI-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180984483 525575868 /nfs/dbraw/zinc/57/58/68/525575868.db2.gz DAKWSFWUFBRKLO-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121716946 525689609 /nfs/dbraw/zinc/68/96/09/525689609.db2.gz SYVCISSRRNQBJW-INIZCTEOSA-N 1 0 331.416 2.533 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cccc1[N+](=O)[O-] ZINC000195520584 525706774 /nfs/dbraw/zinc/70/67/74/525706774.db2.gz JIWSAUPCQFNZOS-HNNXBMFYSA-N 1 0 341.415 2.821 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186800056 534886146 /nfs/dbraw/zinc/88/61/46/534886146.db2.gz HAGGUNYQOZBDRG-UHFFFAOYSA-N 1 0 338.429 2.572 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000120093865 525917631 /nfs/dbraw/zinc/91/76/31/525917631.db2.gz VMNJUYXYMSEBFY-MAUKXSAKSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120077832 525923519 /nfs/dbraw/zinc/92/35/19/525923519.db2.gz LNGGTLOGANQLHV-YJBOKZPZSA-N 1 0 335.448 2.911 20 5 EFBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425534031 534900069 /nfs/dbraw/zinc/90/00/69/534900069.db2.gz ATMPBTOFKXNHJR-IAGOWNOFSA-N 1 0 344.415 2.625 20 5 EFBDRO CSc1cccc(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000188014278 526086487 /nfs/dbraw/zinc/08/64/87/526086487.db2.gz VJOQGLBCPRSRLC-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000188171123 526088990 /nfs/dbraw/zinc/08/89/90/526088990.db2.gz YHCRKIWAKNBPPB-ZDUSSCGKSA-N 1 0 349.456 2.875 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000236601257 534909442 /nfs/dbraw/zinc/90/94/42/534909442.db2.gz VITUMGJSIBAISZ-UHFFFAOYSA-N 1 0 325.434 2.812 20 5 EFBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195625217 526209572 /nfs/dbraw/zinc/20/95/72/526209572.db2.gz UZCXJKGHUJTBSY-UMVBOHGHSA-N 1 0 333.432 2.999 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000193860457 526485473 /nfs/dbraw/zinc/48/54/73/526485473.db2.gz IBVCINXVUIPXQI-CYBMUJFWSA-N 1 0 343.387 2.526 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000261942489 526575380 /nfs/dbraw/zinc/57/53/80/526575380.db2.gz UYYXGQYJOPXYRN-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000087322346 526602390 /nfs/dbraw/zinc/60/23/90/526602390.db2.gz ZVZSHUKDKFDMBC-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575252 536496788 /nfs/dbraw/zinc/49/67/88/536496788.db2.gz XHICVFSDPISKIC-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1c(F)cccc1F ZINC000180215754 527020199 /nfs/dbraw/zinc/02/01/99/527020199.db2.gz IFIRGKRPBRLWHV-GFCCVEGCSA-N 1 0 347.321 2.768 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289691 527294857 /nfs/dbraw/zinc/29/48/57/527294857.db2.gz QDSVXKQCWWGDCP-MRXNPFEDSA-N 1 0 331.416 2.518 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3cccc(F)c3)C2)nc1 ZINC000118866346 527368205 /nfs/dbraw/zinc/36/82/05/527368205.db2.gz MWQVVMSZCDQEMS-CQSZACIVSA-N 1 0 346.362 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3cccc(F)c3)C2)nc1 ZINC000118866343 527368348 /nfs/dbraw/zinc/36/83/48/527368348.db2.gz MWQVVMSZCDQEMS-AWEZNQCLSA-N 1 0 346.362 2.694 20 5 EFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193280123 527410466 /nfs/dbraw/zinc/41/04/66/527410466.db2.gz OTZKATLGKXCUDX-MAUKXSAKSA-N 1 0 345.399 2.510 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000157381597 527414341 /nfs/dbraw/zinc/41/43/41/527414341.db2.gz XJXCMGFDURQBQV-UHFFFAOYSA-N 1 0 341.371 2.812 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184483266 527725756 /nfs/dbraw/zinc/72/57/56/527725756.db2.gz OLILDHSUAXULGR-UHFFFAOYSA-N 1 0 348.447 2.665 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000184306823 527845810 /nfs/dbraw/zinc/84/58/10/527845810.db2.gz VFLQZJLVTJCSDF-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191680509 528068341 /nfs/dbraw/zinc/06/83/41/528068341.db2.gz CQEBVEWUJJHAMN-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000174122741 528257282 /nfs/dbraw/zinc/25/72/82/528257282.db2.gz SOELVBMHVPSQEW-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CC)C2)cc1[N+](=O)[O-] ZINC000154265704 528598448 /nfs/dbraw/zinc/59/84/48/528598448.db2.gz ZWHWISMIWZZMLZ-OCCSQVGLSA-N 1 0 335.404 2.655 20 5 EFBDRO CCOCCOCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000190259609 528804094 /nfs/dbraw/zinc/80/40/94/528804094.db2.gz UEDJEQBSOZYQSZ-UHFFFAOYSA-N 1 0 333.388 2.941 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421710299 534941536 /nfs/dbraw/zinc/94/15/36/534941536.db2.gz JVIJWRRGKFJYMD-AWEZNQCLSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412143274 534942482 /nfs/dbraw/zinc/94/24/82/534942482.db2.gz ZKDOWQMYUMHKLN-CQSZACIVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000412378383 534950119 /nfs/dbraw/zinc/95/01/19/534950119.db2.gz ZNFYVEWMQFYFIY-CYBMUJFWSA-N 1 0 337.420 2.841 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1=O ZINC000421871952 534977072 /nfs/dbraw/zinc/97/70/72/534977072.db2.gz GJMDWWILUSFABE-UONOGXRCSA-N 1 0 349.431 2.903 20 5 EFBDRO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353041902 535012145 /nfs/dbraw/zinc/01/21/45/535012145.db2.gz AOJOWBYEIJVRFR-QGZVFWFLSA-N 1 0 345.443 2.863 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000356823187 535021721 /nfs/dbraw/zinc/02/17/21/535021721.db2.gz TXTKMHYKIFPCLZ-JTQLQIEISA-N 1 0 345.346 2.655 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341205071 535093516 /nfs/dbraw/zinc/09/35/16/535093516.db2.gz QKRJYXHMLNRHEQ-ZBFHGGJFSA-N 1 0 348.447 2.998 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342943772 535133017 /nfs/dbraw/zinc/13/30/17/535133017.db2.gz MERJXENWEPGJFP-ZDUSSCGKSA-N 1 0 344.415 2.784 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418427564 535185507 /nfs/dbraw/zinc/18/55/07/535185507.db2.gz OFSGQSUDUDTBBV-UHFFFAOYSA-N 1 0 334.420 2.786 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342652678 535222071 /nfs/dbraw/zinc/22/20/71/535222071.db2.gz JYRQVGIGELCDEZ-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO CC(C)(NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000418756255 535225556 /nfs/dbraw/zinc/22/55/56/535225556.db2.gz YIIIKYOSJUHNOK-CYBMUJFWSA-N 1 0 334.420 2.661 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000418778987 535227009 /nfs/dbraw/zinc/22/70/09/535227009.db2.gz ARWWEZVPOZNRHO-MGPQQGTHSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418422013 535227011 /nfs/dbraw/zinc/22/70/11/535227011.db2.gz IFYHZPNTZMVKIX-SWLSCSKDSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236655502 535296402 /nfs/dbraw/zinc/29/64/02/535296402.db2.gz DSUJLZGDWRLGNG-KRWDZBQOSA-N 1 0 336.436 2.667 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236866753 535355833 /nfs/dbraw/zinc/35/58/33/535355833.db2.gz RNEMCUUIJKARQZ-JTQLQIEISA-N 1 0 344.209 2.605 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000338406711 535426991 /nfs/dbraw/zinc/42/69/91/535426991.db2.gz KVJXGMGQKUXWBJ-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000359744478 535499731 /nfs/dbraw/zinc/49/97/31/535499731.db2.gz NFFQIPGSSPUUPS-UHFFFAOYSA-N 1 0 336.436 2.897 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344757949 535503981 /nfs/dbraw/zinc/50/39/81/535503981.db2.gz ITVONHFRJODVJR-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342879456 535523641 /nfs/dbraw/zinc/52/36/41/535523641.db2.gz CUSQPUKHQKCKOM-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192456747 535527298 /nfs/dbraw/zinc/52/72/98/535527298.db2.gz VGJHCGRPPOYSDY-NEPJUHHUSA-N 1 0 328.438 2.600 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000356228978 535892302 /nfs/dbraw/zinc/89/23/02/535892302.db2.gz UBHCZLVQOCZYGZ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[NH+](C)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360016113 535893114 /nfs/dbraw/zinc/89/31/14/535893114.db2.gz LMFASSQWLQOUFO-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419321814 535896002 /nfs/dbraw/zinc/89/60/02/535896002.db2.gz ROTOPSFQKIBKRO-OLZOCXBDSA-N 1 0 335.404 2.956 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC1(C)C ZINC000419316900 535896460 /nfs/dbraw/zinc/89/64/60/535896460.db2.gz MEVZYCHSGUISJU-QWRGUYRKSA-N 1 0 349.387 2.676 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000342933543 536009945 /nfs/dbraw/zinc/00/99/45/536009945.db2.gz ZCSHYWBFJOFEDZ-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000342831816 536010186 /nfs/dbraw/zinc/01/01/86/536010186.db2.gz YKJSCTVJFFKVEW-UHFFFAOYSA-N 1 0 349.337 2.865 20 5 EFBDRO C[NH+](C)Cc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000342801292 536011649 /nfs/dbraw/zinc/01/16/49/536011649.db2.gz WQRCRSNDNWPJJJ-UHFFFAOYSA-N 1 0 346.362 2.507 20 5 EFBDRO CCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000347843898 536179206 /nfs/dbraw/zinc/17/92/06/536179206.db2.gz AHWUSHFSEQZMLG-OAHLLOKOSA-N 1 0 327.388 2.634 20 5 EFBDRO CNC(=O)NC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000414541315 536327645 /nfs/dbraw/zinc/32/76/45/536327645.db2.gz IQVNILNILQMCQT-UHFFFAOYSA-N 1 0 334.420 2.612 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000414639466 536345741 /nfs/dbraw/zinc/34/57/41/536345741.db2.gz FHZNZEDOSASWNX-ZETCQYMHSA-N 1 0 341.165 2.558 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000261739003 536350040 /nfs/dbraw/zinc/35/00/40/536350040.db2.gz KWDUMNKMXHHCBC-ZDUSSCGKSA-N 1 0 348.406 2.736 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000412230202 536352873 /nfs/dbraw/zinc/35/28/73/536352873.db2.gz NZLLOJAMKPYZNP-DLBZAZTESA-N 1 0 343.427 2.785 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000195684834 536406857 /nfs/dbraw/zinc/40/68/57/536406857.db2.gz RHAQWYBGFOSVEO-KBPBESRZSA-N 1 0 348.447 2.734 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000253271716 536513733 /nfs/dbraw/zinc/51/37/33/536513733.db2.gz AQKIQGVULGVBQQ-CHWSQXEVSA-N 1 0 349.431 2.762 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342744361 536743134 /nfs/dbraw/zinc/74/31/34/536743134.db2.gz BIHHJSJYWQGAPO-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000426257565 536752289 /nfs/dbraw/zinc/75/22/89/536752289.db2.gz QDWDOALMVXKJOJ-LLVKDONJSA-N 1 0 346.330 2.552 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344702134 536802883 /nfs/dbraw/zinc/80/28/83/536802883.db2.gz RXVIQPVSJPZVES-CVEARBPZSA-N 1 0 344.415 2.898 20 5 EFBDRO COc1cc(CN[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420366469 536813487 /nfs/dbraw/zinc/81/34/87/536813487.db2.gz RDMZJRTVZWTCML-CYBMUJFWSA-N 1 0 347.362 2.668 20 5 EFBDRO Cc1cccc(OCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754251595 575410707 /nfs/dbraw/zinc/41/07/07/575410707.db2.gz WBAQJAPDJZMTNC-GOSISDBHSA-N 1 0 330.384 2.995 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250166 575410777 /nfs/dbraw/zinc/41/07/77/575410777.db2.gz CXAILZNDTCUMGC-MEDUHNTESA-N 1 0 326.356 2.855 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000754251912 575411159 /nfs/dbraw/zinc/41/11/59/575411159.db2.gz YTDHMEYDNOJRRQ-GOSISDBHSA-N 1 0 338.367 2.604 20 5 EFBDRO C[C@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382059 575428013 /nfs/dbraw/zinc/42/80/13/575428013.db2.gz FBRWXYKZYWWQKM-SMDDNHRTSA-N 1 0 349.412 2.697 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754388601 575429774 /nfs/dbraw/zinc/42/97/74/575429774.db2.gz PNDMTHVQTCFLLW-ZDUSSCGKSA-N 1 0 349.412 2.617 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc2ccccc2s1 ZINC000754716847 575476520 /nfs/dbraw/zinc/47/65/20/575476520.db2.gz NAGYJNQEPWSIDP-LLVKDONJSA-N 1 0 344.396 2.717 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000754869687 575506625 /nfs/dbraw/zinc/50/66/25/575506625.db2.gz CJEMNJFHJDZWMD-UHFFFAOYSA-N 1 0 331.347 2.977 20 5 EFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2nonc21)CCC(F)(F)F ZINC000755038649 575533289 /nfs/dbraw/zinc/53/32/89/575533289.db2.gz BGQJMRSWZWINCF-UHFFFAOYSA-N 1 0 347.297 2.817 20 5 EFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000755170385 575555498 /nfs/dbraw/zinc/55/54/98/575555498.db2.gz QIIMIZPEBWOFSY-WMFXKJRFSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000756950059 575804521 /nfs/dbraw/zinc/80/45/21/575804521.db2.gz ASWNUONJCRJWID-JQWIXIFHSA-N 1 0 340.811 2.530 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756952427 575804745 /nfs/dbraw/zinc/80/47/45/575804745.db2.gz SQSNDCRRAIPSKA-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756988228 575808227 /nfs/dbraw/zinc/80/82/27/575808227.db2.gz DBIBXYUGRZEDRX-UHFFFAOYSA-N 1 0 339.823 2.985 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759696101 575922154 /nfs/dbraw/zinc/92/21/54/575922154.db2.gz FKEBTTVSYXGNNL-UHFFFAOYSA-N 1 0 339.399 2.811 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759700310 575922806 /nfs/dbraw/zinc/92/28/06/575922806.db2.gz OJALTGCFZSXDET-UHFFFAOYSA-N 1 0 345.428 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(OC(F)F)c1 ZINC000760541070 576043077 /nfs/dbraw/zinc/04/30/77/576043077.db2.gz LSHDQBMKNMDCHN-UHFFFAOYSA-N 1 0 327.331 2.871 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000761121542 576116872 /nfs/dbraw/zinc/11/68/72/576116872.db2.gz WBCZYXZAWQACHJ-KRWDZBQOSA-N 1 0 342.399 2.600 20 5 EFBDRO C[Si](C)(C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000763144380 576364230 /nfs/dbraw/zinc/36/42/30/576364230.db2.gz VMLSDCRXDGUHON-UHFFFAOYSA-N 1 0 347.495 2.861 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000764324925 576448604 /nfs/dbraw/zinc/44/86/04/576448604.db2.gz XVCIOLJDVMSEEX-UHFFFAOYSA-N 1 0 342.399 2.883 20 5 EFBDRO Cc1nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026101 576538062 /nfs/dbraw/zinc/53/80/62/576538062.db2.gz QYXSNLLWIFKQBF-OAHLLOKOSA-N 1 0 343.431 2.628 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039783 576539667 /nfs/dbraw/zinc/53/96/67/576539667.db2.gz SOMCXGXNHSDWNJ-OAHLLOKOSA-N 1 0 345.447 2.874 20 5 EFBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102416 577006993 /nfs/dbraw/zinc/00/69/93/577006993.db2.gz DYWHEPMEIVJOMY-YOEHRIQHSA-N 1 0 343.431 2.627 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000765848565 577082497 /nfs/dbraw/zinc/08/24/97/577082497.db2.gz HPJXZEDQXKGLCG-FPWDIPAHSA-N 1 0 348.424 2.716 20 5 EFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849338 577082601 /nfs/dbraw/zinc/08/26/01/577082601.db2.gz OQDQZLYETSIUNW-IAGOWNOFSA-N 1 0 328.368 2.914 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000766556091 577166206 /nfs/dbraw/zinc/16/62/06/577166206.db2.gz NKLLANIBUHSYFO-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766554148 577166266 /nfs/dbraw/zinc/16/62/66/577166266.db2.gz FWEDZFGGNARADR-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766557573 577166482 /nfs/dbraw/zinc/16/64/82/577166482.db2.gz VUDIGJROYNGECH-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947692 577189252 /nfs/dbraw/zinc/18/92/52/577189252.db2.gz ZWQFSDIEXANCOL-WMLDXEAASA-N 1 0 348.378 2.556 20 5 EFBDRO CS[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1[NH+](C)C ZINC000767292989 577202998 /nfs/dbraw/zinc/20/29/98/577202998.db2.gz WHTJVWREZAJDTO-YPMHNXCESA-N 1 0 338.458 2.686 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499934 577278786 /nfs/dbraw/zinc/27/87/86/577278786.db2.gz NGJMOLCMMNLGGP-PBHICJAKSA-N 1 0 343.431 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(c3)COC4)C2)nc1 ZINC000769464329 577364142 /nfs/dbraw/zinc/36/41/42/577364142.db2.gz VHKNTSBYUUSGQW-MRXNPFEDSA-N 1 0 340.383 2.706 20 5 EFBDRO C[C@H]([N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000726584213 577374356 /nfs/dbraw/zinc/37/43/56/577374356.db2.gz CABCYGFMEMTKRD-LBPRGKRZSA-N 1 0 348.403 2.687 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000770019414 577397980 /nfs/dbraw/zinc/39/79/80/577397980.db2.gz NFJMOJJAXPUSAM-UHFFFAOYSA-N 1 0 338.795 2.808 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770099890 577402068 /nfs/dbraw/zinc/40/20/68/577402068.db2.gz LLVSWYFAYAQYGL-AAEUAGOBSA-N 1 0 325.796 2.832 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771916406 581258713 /nfs/dbraw/zinc/25/87/13/581258713.db2.gz OOAXRHNSUIYUEE-ZDUSSCGKSA-N 1 0 340.811 2.699 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000772140646 581288115 /nfs/dbraw/zinc/28/81/15/581288115.db2.gz CIVRRJKXXLYETK-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO CC(C)(CCCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772483475 581327842 /nfs/dbraw/zinc/32/78/42/581327842.db2.gz VETJUXXMUZEWPK-UHFFFAOYSA-N 1 0 335.448 2.952 20 5 EFBDRO CCn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000773000372 581386501 /nfs/dbraw/zinc/38/65/01/581386501.db2.gz OUWKIJVASONLOW-UHFFFAOYSA-N 1 0 329.404 2.570 20 5 EFBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000773040337 581390029 /nfs/dbraw/zinc/39/00/29/581390029.db2.gz CLGJMVQQZUTWID-UHFFFAOYSA-N 1 0 333.432 2.970 20 5 EFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773069043 581393453 /nfs/dbraw/zinc/39/34/53/581393453.db2.gz QEQJXTMVYHQFFY-INIZCTEOSA-N 1 0 340.445 2.850 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C(=O)OC)C1 ZINC000773072184 581393719 /nfs/dbraw/zinc/39/37/19/581393719.db2.gz NXIMYGOPNJEHOM-LLVKDONJSA-N 1 0 339.417 2.506 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C(=O)OC)C1 ZINC000773072188 581393889 /nfs/dbraw/zinc/39/38/89/581393889.db2.gz NXIMYGOPNJEHOM-NSHDSACASA-N 1 0 339.417 2.506 20 5 EFBDRO CN1CCC2(CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1=O ZINC000773921941 581473673 /nfs/dbraw/zinc/47/36/73/581473673.db2.gz CPZFKDSTNGSSQS-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000774194819 581486899 /nfs/dbraw/zinc/48/68/99/581486899.db2.gz ZJZOBLOAMOYACD-NUJGCVRESA-N 1 0 344.415 2.772 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000774224029 581487546 /nfs/dbraw/zinc/48/75/46/581487546.db2.gz GRRLFHZLBKYXAR-HIFRSBDPSA-N 1 0 345.359 2.973 20 5 EFBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774231982 581487730 /nfs/dbraw/zinc/48/77/30/581487730.db2.gz JZJZYMUOALHHKQ-TUVASFSCSA-N 1 0 348.403 2.970 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774492926 581492722 /nfs/dbraw/zinc/49/27/22/581492722.db2.gz YNKSYFSOTLKDKQ-IXDOHACOSA-N 1 0 344.415 2.907 20 5 EFBDRO C[N@H+](C[C@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774627686 581495590 /nfs/dbraw/zinc/49/55/90/581495590.db2.gz RLDKOAZVMFVECO-LLVKDONJSA-N 1 0 338.795 2.914 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639146 581496026 /nfs/dbraw/zinc/49/60/26/581496026.db2.gz UBHKKMUDJOLUKP-LBPRGKRZSA-N 1 0 337.811 2.581 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733869075 1265451594 /nfs/dbraw/zinc/45/15/94/1265451594.db2.gz SOCFEMGRGKQMQB-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNc1ncccn1 ZINC000850439546 1250486204 /nfs/dbraw/zinc/48/62/04/1250486204.db2.gz LRUBTYYAHFINAE-GFCCVEGCSA-N 1 0 331.376 2.546 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850503145 1250512888 /nfs/dbraw/zinc/51/28/88/1250512888.db2.gz UQBLVBSMAYQMJM-RPWYAYDISA-N 1 0 325.434 2.517 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2SCCS2)n1 ZINC000850559327 1250536428 /nfs/dbraw/zinc/53/64/28/1250536428.db2.gz ADMXEPILHXABJW-MNOVXSKESA-N 1 0 328.463 2.671 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2SCCS2)n1 ZINC000850559329 1250536311 /nfs/dbraw/zinc/53/63/11/1250536311.db2.gz ADMXEPILHXABJW-WDEREUQCSA-N 1 0 328.463 2.671 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850574618 1250543117 /nfs/dbraw/zinc/54/31/17/1250543117.db2.gz ZVLZFWAFTCUXTO-LXIYXOSZSA-N 1 0 329.400 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(Br)c1 ZINC000712273716 1251343629 /nfs/dbraw/zinc/34/36/29/1251343629.db2.gz DBWQWLDDIGYWRC-LJWDBELGSA-N 1 0 341.205 2.560 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107228545 1255429993 /nfs/dbraw/zinc/42/99/93/1255429993.db2.gz DAMMBHFCLLEORJ-ARJAWSKDSA-N 1 0 346.431 2.555 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(F)CCCC1 ZINC000996744639 1255939824 /nfs/dbraw/zinc/93/98/24/1255939824.db2.gz NKZHOBPITVZRGX-UHFFFAOYSA-N 1 0 349.406 2.958 20 5 EFBDRO CCC1(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000996959278 1256590436 /nfs/dbraw/zinc/59/04/36/1256590436.db2.gz YWVLXWBANFMRTJ-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(C1CC2(CC2)C1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996986851 1256618924 /nfs/dbraw/zinc/61/89/24/1256618924.db2.gz CQPBTOAWFDJDBZ-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CCC1 ZINC000997022534 1256710875 /nfs/dbraw/zinc/71/08/75/1256710875.db2.gz PHOJQCAHOPOLCP-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1F ZINC001127866403 1256808887 /nfs/dbraw/zinc/80/88/87/1256808887.db2.gz WJXOHRPOXQZOKP-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1sccc1Cl ZINC001127881105 1256912127 /nfs/dbraw/zinc/91/21/27/1256912127.db2.gz YZCDSVDTGKSTBN-UHFFFAOYSA-N 1 0 345.833 2.891 20 5 EFBDRO O=C(Cc1ccco1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997113458 1256936223 /nfs/dbraw/zinc/93/62/23/1256936223.db2.gz CEUWPCVQGBQIFG-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO O=C(Cc1ccco1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997116474 1256966469 /nfs/dbraw/zinc/96/64/69/1256966469.db2.gz OPCOZTRHMRIJDM-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168549426 1257146798 /nfs/dbraw/zinc/14/67/98/1257146798.db2.gz UXSNNXMEMSSQTA-GFCCVEGCSA-N 1 0 341.367 2.966 20 5 EFBDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000921564113 1257462054 /nfs/dbraw/zinc/46/20/54/1257462054.db2.gz OXCLMZGVIHPCMC-CYBMUJFWSA-N 1 0 344.367 2.825 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997664856 1258194177 /nfs/dbraw/zinc/19/41/77/1258194177.db2.gz WGRVAPOZNZGLTA-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO C[NH2+][C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843048705 1258224844 /nfs/dbraw/zinc/22/48/44/1258224844.db2.gz QUKIGPVASHSEBM-SNVBAGLBSA-N 1 0 328.210 2.541 20 5 EFBDRO CC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843053146 1258290776 /nfs/dbraw/zinc/29/07/76/1258290776.db2.gz IUESRIWZKAMGRB-GWCFXTLKSA-N 1 0 342.237 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000153475031 1258373947 /nfs/dbraw/zinc/37/39/47/1258373947.db2.gz AWSSUFJSPKELAO-INIZCTEOSA-N 1 0 343.431 2.852 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843057502 1258392909 /nfs/dbraw/zinc/39/29/09/1258392909.db2.gz IWASMQLFGYEHGU-NXEZZACHSA-N 1 0 328.210 2.526 20 5 EFBDRO CC(=O)N1CCc2cc(N[C@H]3CCCC[C@@H]3[NH+](C)C)cc([N+](=O)[O-])c21 ZINC001168601883 1258494843 /nfs/dbraw/zinc/49/48/43/1258494843.db2.gz ZVBVKJQQZMMYRQ-HOTGVXAUSA-N 1 0 346.431 2.789 20 5 EFBDRO O=C(N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC000998067868 1259063226 /nfs/dbraw/zinc/06/32/26/1259063226.db2.gz ZMZNVRWCYRULLE-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946483416 1259243370 /nfs/dbraw/zinc/24/33/70/1259243370.db2.gz OWUCSJLTGCLFJL-CALCHBBNSA-N 1 0 345.443 2.921 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc(Cl)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000799995342 1261016504 /nfs/dbraw/zinc/01/65/04/1261016504.db2.gz YXHNEWVRSMYBBP-UHFFFAOYSA-N 1 0 334.763 2.762 20 5 EFBDRO Cc1scc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001128122558 1261281385 /nfs/dbraw/zinc/28/13/85/1261281385.db2.gz SBGGJSZZQQEWRY-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922591972 1266398280 /nfs/dbraw/zinc/39/82/80/1266398280.db2.gz JWPBTTMXOMEJSO-JBXOJTMHSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923331493 1261506733 /nfs/dbraw/zinc/50/67/33/1261506733.db2.gz MHTOZYDGOXQSMM-NXEZZACHSA-N 1 0 328.210 2.526 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923369702 1261564238 /nfs/dbraw/zinc/56/42/38/1261564238.db2.gz LQCZSHAKUFEKKX-CYBMUJFWSA-N 1 0 342.237 2.835 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165070966 1263249250 /nfs/dbraw/zinc/24/92/50/1263249250.db2.gz BPXIPDHMAMJMHH-SECBINFHSA-N 1 0 334.754 2.719 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000922709294 1266631819 /nfs/dbraw/zinc/63/18/19/1266631819.db2.gz QKFOFWIHZNIWIA-LBPRGKRZSA-N 1 0 347.337 2.720 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000843184706 1264051964 /nfs/dbraw/zinc/05/19/64/1264051964.db2.gz HXUIQCCRJYBZEE-UHFFFAOYSA-N 1 0 345.403 2.565 20 5 EFBDRO COC(=O)COc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922048955 1264209228 /nfs/dbraw/zinc/20/92/28/1264209228.db2.gz RJHOEXSYOQDTLW-UHFFFAOYSA-N 1 0 344.367 2.745 20 5 EFBDRO C[NH+](C)CCCC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089986506 1264422469 /nfs/dbraw/zinc/42/24/69/1264422469.db2.gz ZNERTXVCWTZBOR-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CC2(CC2)C1 ZINC001003600101 1264946229 /nfs/dbraw/zinc/94/62/29/1264946229.db2.gz VBQPTNJDQIJLOQ-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000823678447 1265411434 /nfs/dbraw/zinc/41/14/34/1265411434.db2.gz MGANTEPPCDWACL-ZBFHGGJFSA-N 1 0 333.432 2.716 20 5 EFBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000922638877 1266496635 /nfs/dbraw/zinc/49/66/35/1266496635.db2.gz GXTQCJMXRUJFKS-MRXNPFEDSA-N 1 0 343.383 2.955 20 5 EFBDRO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922808174 1266926376 /nfs/dbraw/zinc/92/63/76/1266926376.db2.gz HSBDBLPQLMRECM-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000738224216 1268408633 /nfs/dbraw/zinc/40/86/33/1268408633.db2.gz LWADJVKDWQZWID-LLVKDONJSA-N 1 0 336.417 2.713 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsc1 ZINC001086021971 1269549565 /nfs/dbraw/zinc/54/95/65/1269549565.db2.gz RNWZQOGTSROQLR-OTVXOJSOSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086028843 1269585502 /nfs/dbraw/zinc/58/55/02/1269585502.db2.gz HFNFOXPVVAKNNE-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC=CC1 ZINC001086048835 1269675693 /nfs/dbraw/zinc/67/56/93/1269675693.db2.gz UNWIFSVZIUVMDZ-FZNQNYSPSA-N 1 0 329.400 2.545 20 5 EFBDRO CN(C)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000741753319 1269688203 /nfs/dbraw/zinc/68/82/03/1269688203.db2.gz SUTZRHSWKFRWQA-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO Cn1cc(C[NH2+]CCOC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000742385717 1270014488 /nfs/dbraw/zinc/01/44/88/1270014488.db2.gz QGCPSSDQKXLWIO-UHFFFAOYSA-N 1 0 330.388 2.654 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000843831764 1270070889 /nfs/dbraw/zinc/07/08/89/1270070889.db2.gz RCZYLKGSXXVGDS-GXTWGEPZSA-N 1 0 335.379 2.599 20 5 EFBDRO CN(C(=O)c1cc[nH]c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005430137 1270485114 /nfs/dbraw/zinc/48/51/14/1270485114.db2.gz UULDPYFBCSOGCK-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000743249157 1270487560 /nfs/dbraw/zinc/48/75/60/1270487560.db2.gz LAGVVYYOPXCKIH-MSOLQXFVSA-N 1 0 330.384 2.568 20 5 EFBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743263862 1270496214 /nfs/dbraw/zinc/49/62/14/1270496214.db2.gz KNOMYTJDAMHNJK-FVQBIDKESA-N 1 0 338.452 2.594 20 5 EFBDRO COc1ccnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171091177 1278567255 /nfs/dbraw/zinc/56/72/55/1278567255.db2.gz PVVLHLGSJHEYSH-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743399451 1270566957 /nfs/dbraw/zinc/56/69/57/1270566957.db2.gz LWEOSFZLNPXGRQ-OAHLLOKOSA-N 1 0 343.431 2.689 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)n1 ZINC001171090536 1278582790 /nfs/dbraw/zinc/58/27/90/1278582790.db2.gz GJOHUXMEXVNBKJ-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480932 1278584143 /nfs/dbraw/zinc/58/41/43/1278584143.db2.gz CMWDWVDWISXYFB-VXGBXAGGSA-N 1 0 337.807 2.913 20 5 EFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCCC1 ZINC000743869004 1270791995 /nfs/dbraw/zinc/79/19/95/1270791995.db2.gz IYGGTXMIBCAFRZ-AWEZNQCLSA-N 1 0 344.415 2.540 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccco1 ZINC001086291466 1270846797 /nfs/dbraw/zinc/84/67/97/1270846797.db2.gz IMGUCTGMQWMOMK-UMSPYCQHSA-N 1 0 335.385 2.548 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001086295999 1270877568 /nfs/dbraw/zinc/87/75/68/1270877568.db2.gz MRSHCXDOSMVWMU-NNUKFRKNSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1cc(F)cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000843840969 1278624346 /nfs/dbraw/zinc/62/43/46/1278624346.db2.gz IESKGLKRXVXJFC-GFCCVEGCSA-N 1 0 337.395 2.845 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843891585 1278636180 /nfs/dbraw/zinc/63/61/80/1278636180.db2.gz LOLDMQWURXRNAV-LLVKDONJSA-N 1 0 325.384 2.893 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086454524 1271561877 /nfs/dbraw/zinc/56/18/77/1271561877.db2.gz SDWFDFDATIZVAH-ZUFZQKGWSA-N 1 0 343.427 2.625 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001086473867 1271677462 /nfs/dbraw/zinc/67/74/62/1271677462.db2.gz ABLNSUQTDYWNHH-YEORSEQZSA-N 1 0 349.456 2.831 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746049932 1271744703 /nfs/dbraw/zinc/74/47/03/1271744703.db2.gz YHAKMGHNCUFSST-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1ccc(C(C)(C)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001168807593 1272415130 /nfs/dbraw/zinc/41/51/30/1272415130.db2.gz KQDCRFJJTNBTBH-UHFFFAOYSA-N 1 0 327.388 2.727 20 5 EFBDRO [NH3+][C@@H]1CCc2nn(-c3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2C1 ZINC001168809654 1272415600 /nfs/dbraw/zinc/41/56/00/1272415600.db2.gz UABKKLDTHHNWTR-CQSZACIVSA-N 1 0 335.367 2.659 20 5 EFBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001034653725 1272444408 /nfs/dbraw/zinc/44/44/08/1272444408.db2.gz QRENPRRCGUHYKS-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001168976708 1272547931 /nfs/dbraw/zinc/54/79/31/1272547931.db2.gz FPPPZGDYPLHNGK-NEPJUHHUSA-N 1 0 344.333 2.966 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)C1 ZINC001168983359 1272552569 /nfs/dbraw/zinc/55/25/69/1272552569.db2.gz JQVIDOKFPVUPCT-QYZOEREBSA-N 1 0 331.460 2.729 20 5 EFBDRO O=C(CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168983402 1272552993 /nfs/dbraw/zinc/55/29/93/1272552993.db2.gz JWENACDFCSVXDS-DLBZAZTESA-N 1 0 334.416 2.935 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964473 1272558291 /nfs/dbraw/zinc/55/82/91/1272558291.db2.gz TZBAIHYHPROLAG-AJNGGQMLSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964475 1272558437 /nfs/dbraw/zinc/55/84/37/1272558437.db2.gz TZBAIHYHPROLAG-BYNSBNAKSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168967019 1272559309 /nfs/dbraw/zinc/55/93/09/1272559309.db2.gz MTKBFFHMLFUWRW-CPUCHLNUSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)C1 ZINC001168968374 1272560920 /nfs/dbraw/zinc/56/09/20/1272560920.db2.gz YICDMNHFOMEECD-RHSMWYFYSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001168973344 1272564477 /nfs/dbraw/zinc/56/44/77/1272564477.db2.gz OLGZFIQRYKNYAA-BXUZGUMPSA-N 1 0 344.333 2.966 20 5 EFBDRO O=C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993246 1272570106 /nfs/dbraw/zinc/57/01/06/1272570106.db2.gz MCRAPUFFDXBYDT-WMLDXEAASA-N 1 0 337.464 2.593 20 5 EFBDRO O=C(C1CCCCC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993240 1272570504 /nfs/dbraw/zinc/57/05/04/1272570504.db2.gz MCRAPUFFDXBYDT-PBHICJAKSA-N 1 0 337.464 2.593 20 5 EFBDRO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997081 1272573296 /nfs/dbraw/zinc/57/32/96/1272573296.db2.gz XMKHICKBVMYADI-QWHCGFSZSA-N 1 0 329.441 2.715 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2cccc(F)c2)C1 ZINC001168997475 1272574722 /nfs/dbraw/zinc/57/47/22/1272574722.db2.gz ZSOWRYHNFPREJD-HOCLYGCPSA-N 1 0 332.379 2.606 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccc(F)cc3)cn2)C1 ZINC001168997778 1272575190 /nfs/dbraw/zinc/57/51/90/1272575190.db2.gz FUVGERQWZVOUNJ-ZBFHGGJFSA-N 1 0 332.379 2.606 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3F)cn2)C1 ZINC001168997956 1272575424 /nfs/dbraw/zinc/57/54/24/1272575424.db2.gz GVPOSESVCJSWMD-HIFRSBDPSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccccc1CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998138 1272575608 /nfs/dbraw/zinc/57/56/08/1272575608.db2.gz IRONLEOPDVZQTD-WBVHZDCISA-N 1 0 348.443 2.822 20 5 EFBDRO COc1cccc(CC2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001169000023 1272576522 /nfs/dbraw/zinc/57/65/22/1272576522.db2.gz WXPSMWOKBHCEMS-DLBZAZTESA-N 1 0 348.443 2.822 20 5 EFBDRO COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169000738 1272576961 /nfs/dbraw/zinc/57/69/61/1272576961.db2.gz AZHGEFCSCNMSMV-UHOFOFEASA-N 1 0 334.416 2.596 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC001169000355 1272576977 /nfs/dbraw/zinc/57/69/77/1272576977.db2.gz XQJIKYGYLQKGJK-WBVHZDCISA-N 1 0 336.407 2.952 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCOCC2)C1 ZINC001169000944 1272577497 /nfs/dbraw/zinc/57/74/97/1272577497.db2.gz ZSXVKOIOJWDTPD-GDBMZVCRSA-N 1 0 336.407 2.952 20 5 EFBDRO CCN(CC)C(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169005427 1272579260 /nfs/dbraw/zinc/57/92/60/1272579260.db2.gz UHRVAMATMIZVIC-AEFFLSMTSA-N 1 0 347.459 2.746 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2CCCC[C@@H]12 ZINC001169010313 1272582477 /nfs/dbraw/zinc/58/24/77/1272582477.db2.gz CPIGGGCSZZNVED-UUAJXVIYSA-N 1 0 338.448 2.733 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3nsc4ccccc43)CC2)C1 ZINC001169010653 1272582792 /nfs/dbraw/zinc/58/27/92/1272582792.db2.gz FGMOSTOCFCORQV-KGLIPLIRSA-N 1 0 346.456 2.864 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2CCCC[C@@H]12 ZINC001169010310 1272583079 /nfs/dbraw/zinc/58/30/79/1272583079.db2.gz CPIGGGCSZZNVED-HHARLNAUSA-N 1 0 338.448 2.733 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013120 1272584423 /nfs/dbraw/zinc/58/44/23/1272584423.db2.gz UFSSYYKDCDYKPB-LJISPDSOSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011099 1272584460 /nfs/dbraw/zinc/58/44/60/1272584460.db2.gz IKOUXZVCGILBED-AJNGGQMLSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013783 1272584819 /nfs/dbraw/zinc/58/48/19/1272584819.db2.gz WJADUGNJFJVXEN-LSDHHAIUSA-N 1 0 341.452 2.669 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169012318 1272584826 /nfs/dbraw/zinc/58/48/26/1272584826.db2.gz PBFGQPLAOQRGMU-QLFBSQMISA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169011606 1272585505 /nfs/dbraw/zinc/58/55/05/1272585505.db2.gz LJRIWZCWLYEDLD-ZIAGYGMSSA-N 1 0 339.436 2.517 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001169014428 1272585525 /nfs/dbraw/zinc/58/55/25/1272585525.db2.gz ZPGBDCKNJUMEMF-KBUPBQIOSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014020 1272585808 /nfs/dbraw/zinc/58/58/08/1272585808.db2.gz XYBOIXNFJIWCFU-KKUMJFAQSA-N 1 0 341.452 2.811 20 5 EFBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169011681 1272585818 /nfs/dbraw/zinc/58/58/18/1272585818.db2.gz MDFYRLUYAJMKMX-KFWWJZLASA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168986761 1272588513 /nfs/dbraw/zinc/58/85/13/1272588513.db2.gz ZAOAXVVWMFDWCF-ZNMIVQPWSA-N 1 0 341.452 2.669 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168988406 1272588853 /nfs/dbraw/zinc/58/88/53/1272588853.db2.gz RXSMBSFNLPRRJE-GWCFXTLKSA-N 1 0 326.780 2.662 20 5 EFBDRO Cc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988295 1272589316 /nfs/dbraw/zinc/58/93/16/1272589316.db2.gz QMYHNJQVTCSNIL-GXFFZTMASA-N 1 0 328.210 2.688 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168990260 1272591082 /nfs/dbraw/zinc/59/10/82/1272591082.db2.gz ZJAXLMYLQQCJIC-ZLKJLUDKSA-N 1 0 332.322 2.774 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169028948 1272594904 /nfs/dbraw/zinc/59/49/04/1272594904.db2.gz SYGPOPVPZKYXJO-ILXRZTDVSA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC001169034032 1272596198 /nfs/dbraw/zinc/59/61/98/1272596198.db2.gz FFRYCTIVGDNROZ-YDZRNGNQSA-N 1 0 329.444 2.638 20 5 EFBDRO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001169035134 1272599241 /nfs/dbraw/zinc/59/92/41/1272599241.db2.gz AKSLWYWRZGGDBS-BYNSBNAKSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3nn(-c4ccccc4)cc3C2)C1 ZINC001169036716 1272601110 /nfs/dbraw/zinc/60/11/10/1272601110.db2.gz HFXXTGYBQDCIIX-PBHICJAKSA-N 1 0 326.400 2.676 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001169036058 1272601728 /nfs/dbraw/zinc/60/17/28/1272601728.db2.gz MVIGYNHVDUGJFX-GXSJLCMTSA-N 1 0 348.325 2.713 20 5 EFBDRO O=C1Nc2ccccc2C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169037162 1272603420 /nfs/dbraw/zinc/60/34/20/1272603420.db2.gz QYXSSXDODALVCG-KGLIPLIRSA-N 1 0 344.415 2.558 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001169038339 1272605648 /nfs/dbraw/zinc/60/56/48/1272605648.db2.gz YFWCXCGOZZCOIW-HUUCEWRRSA-N 1 0 328.416 2.669 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC001169038951 1272605983 /nfs/dbraw/zinc/60/59/83/1272605983.db2.gz LTTRNYRBXRUYQD-OXJNMPFZSA-N 1 0 343.471 2.955 20 5 EFBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169038966 1272606055 /nfs/dbraw/zinc/60/60/55/1272606055.db2.gz LZHOVKIWPRQNBM-KFWWJZLASA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169038131 1272606425 /nfs/dbraw/zinc/60/64/25/1272606425.db2.gz VWLYRGKNUBBRNH-ZIAGYGMSSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([N@H+](C2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039804 1272607475 /nfs/dbraw/zinc/60/74/75/1272607475.db2.gz UDCICEVSUDVTNS-GXTWGEPZSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([N@H+](C2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039805 1272609032 /nfs/dbraw/zinc/60/90/32/1272609032.db2.gz UDCICEVSUDVTNS-JSGCOSHPSA-N 1 0 339.436 2.516 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)C1 ZINC001169040194 1272609748 /nfs/dbraw/zinc/60/97/48/1272609748.db2.gz YPNHLKUTBNONDZ-APIJFGDWSA-N 1 0 338.411 2.962 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)OCCc2ccccc23)C1 ZINC001169040079 1272609857 /nfs/dbraw/zinc/60/98/57/1272609857.db2.gz XPNIHYZTJKPJRA-NVXWUHKLSA-N 1 0 330.428 2.996 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC001169040010 1272610966 /nfs/dbraw/zinc/61/09/66/1272610966.db2.gz WXWHXFIPWLOFJV-DOTOQJQBSA-N 1 0 340.427 2.802 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC2)OCCc2ccccc23)C1 ZINC001169040080 1272611337 /nfs/dbraw/zinc/61/13/37/1272611337.db2.gz XPNIHYZTJKPJRA-RDJZCZTQSA-N 1 0 330.428 2.996 20 5 EFBDRO O=C(C1CCCCC1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169045618 1272611999 /nfs/dbraw/zinc/61/19/99/1272611999.db2.gz JOPZPUFUXKLVAL-DOTOQJQBSA-N 1 0 337.464 2.546 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001169042508 1272613032 /nfs/dbraw/zinc/61/30/32/1272613032.db2.gz FFRYCTIVGDNROZ-MKXGPGLRSA-N 1 0 329.444 2.638 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041588 1272613442 /nfs/dbraw/zinc/61/34/42/1272613442.db2.gz BIYUTRMXKOETHT-CBBWQLFWSA-N 1 0 341.452 2.809 20 5 EFBDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043603 1272614311 /nfs/dbraw/zinc/61/43/11/1272614311.db2.gz HEPGLBSBBRQVEQ-UONOGXRCSA-N 1 0 329.441 2.621 20 5 EFBDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1c1ccccc1 ZINC001169018855 1272618017 /nfs/dbraw/zinc/61/80/17/1272618017.db2.gz CROANHVQZGXBOB-VDHUWJSZSA-N 1 0 343.427 2.702 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C3(c4ccccc4)CC3)CC2)C1 ZINC001169045835 1272623808 /nfs/dbraw/zinc/62/38/08/1272623808.db2.gz KCNFKWBHXXPMGP-FUHWJXTLSA-N 1 0 329.444 2.739 20 5 EFBDRO CCOC(=O)C1(C(C)C)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046726 1272625514 /nfs/dbraw/zinc/62/55/14/1272625514.db2.gz MHHGOLLADNKOEQ-LSDHHAIUSA-N 1 0 326.437 2.733 20 5 EFBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCCCC1 ZINC001169046687 1272625868 /nfs/dbraw/zinc/62/58/68/1272625868.db2.gz LUTYLQZJHKSTLB-PBHICJAKSA-N 1 0 337.464 2.593 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047914 1272627323 /nfs/dbraw/zinc/62/73/23/1272627323.db2.gz SMQFMRJTCYXZEM-KBUPBQIOSA-N 1 0 341.452 2.762 20 5 EFBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C[C@@](C)(C[NH3+])C1 ZINC001169151947 1272713481 /nfs/dbraw/zinc/71/34/81/1272713481.db2.gz NQHJVJFBQJLXNY-BLLLJJGKSA-N 1 0 332.408 2.593 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001169228045 1272746429 /nfs/dbraw/zinc/74/64/29/1272746429.db2.gz KZOMIWHNOJLJSU-ZETCQYMHSA-N 1 0 342.812 2.746 20 5 EFBDRO CC(C)(C)c1cnc(NCc2ncn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001169241011 1272764543 /nfs/dbraw/zinc/76/45/43/1272764543.db2.gz QKQCRJJTUVOXEF-UHFFFAOYSA-N 1 0 344.419 2.589 20 5 EFBDRO CCOC(=O)C1(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001169491284 1272982790 /nfs/dbraw/zinc/98/27/90/1272982790.db2.gz IFRJVHFXJUTBEE-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO O=C(NCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC001034806820 1273017949 /nfs/dbraw/zinc/01/79/49/1273017949.db2.gz HKFJZVGUMHXPIO-UHFFFAOYSA-N 1 0 339.395 2.911 20 5 EFBDRO O=C(NCc1ccc(C[NH2+]CC2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816600 1273057099 /nfs/dbraw/zinc/05/70/99/1273057099.db2.gz RTIAHJYSDMMEKL-QZTJIDSGSA-N 1 0 345.443 2.638 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCc3ccccc3[C@H]1O)C[NH2+]C2 ZINC001169619177 1273060040 /nfs/dbraw/zinc/06/00/40/1273060040.db2.gz HWQFSNRIRFWSAG-CRAIPNDOSA-N 1 0 325.368 2.658 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC12CC[NH+](CC1)CC2 ZINC001169795727 1273171437 /nfs/dbraw/zinc/17/14/37/1273171437.db2.gz CVEDSIGLVXKFGL-UHFFFAOYSA-N 1 0 333.388 2.669 20 5 EFBDRO CC(=O)c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000804350127 1273439390 /nfs/dbraw/zinc/43/93/90/1273439390.db2.gz UPDHRVDWXXQKJO-MRXNPFEDSA-N 1 0 347.415 2.853 20 5 EFBDRO CCC(=O)N1CCC2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035147539 1273639840 /nfs/dbraw/zinc/63/98/40/1273639840.db2.gz YEUKFQMYEDALCC-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CCC[N@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001109496511 1274343074 /nfs/dbraw/zinc/34/30/74/1274343074.db2.gz ZXQHDKORHNFKNU-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@]1(C)CCC[NH2+]C1 ZINC001156956086 1274866362 /nfs/dbraw/zinc/86/63/62/1274866362.db2.gz MHDFDOXFDJOPCM-GFCCVEGCSA-N 1 0 334.754 2.766 20 5 EFBDRO CCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001115369319 1275068872 /nfs/dbraw/zinc/06/88/72/1275068872.db2.gz ITIDOPQNWXIDPY-UHFFFAOYSA-N 1 0 325.434 2.975 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1ncccn1 ZINC000786816699 1275552286 /nfs/dbraw/zinc/55/22/86/1275552286.db2.gz RVZYWFJUTOUGRG-KAMYIIQDSA-N 1 0 327.388 2.880 20 5 EFBDRO O=C(OCCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786882752 1275583224 /nfs/dbraw/zinc/58/32/24/1275583224.db2.gz KQYRIOGZVLMOIX-MRXNPFEDSA-N 1 0 348.399 2.924 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000786972292 1275594304 /nfs/dbraw/zinc/59/43/04/1275594304.db2.gz BBLOIMVKACFHTF-AWEZNQCLSA-N 1 0 336.436 2.663 20 5 EFBDRO CCn1cc(C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000844422609 1278971202 /nfs/dbraw/zinc/97/12/02/1278971202.db2.gz HQKDQWBVNVRWIE-QGZVFWFLSA-N 1 0 332.404 2.755 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC001170306241 1278977643 /nfs/dbraw/zinc/97/76/43/1278977643.db2.gz SXLSGLGYKHOVFS-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@H](C)N(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298275 1278980462 /nfs/dbraw/zinc/98/04/62/1278980462.db2.gz IAJMDMOPDYHCNZ-HNNXBMFYSA-N 1 0 343.427 2.995 20 5 EFBDRO CCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170296612 1278980901 /nfs/dbraw/zinc/98/09/01/1278980901.db2.gz GPJQYMUREOONTP-ZDUSSCGKSA-N 1 0 349.431 2.525 20 5 EFBDRO CCOC(=O)CC(C)(C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298274 1278981127 /nfs/dbraw/zinc/98/11/27/1278981127.db2.gz HZTRXSGXPNORCN-LBPRGKRZSA-N 1 0 338.404 2.856 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(OC)n2)c([N+](=O)[O-])c1 ZINC001170298555 1278982258 /nfs/dbraw/zinc/98/22/58/1278982258.db2.gz MCWJJTLDGMGUIG-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170306415 1278982334 /nfs/dbraw/zinc/98/23/34/1278982334.db2.gz UUFXUUBYSZEQQW-KZULUSFZSA-N 1 0 346.383 2.563 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001157265271 1275858721 /nfs/dbraw/zinc/85/87/21/1275858721.db2.gz IKOVYZXZWQTZJE-LDYMZIIASA-N 1 0 331.203 2.827 20 5 EFBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000787970340 1275990885 /nfs/dbraw/zinc/99/08/85/1275990885.db2.gz FJWQOEUOTSQZGC-UHFFFAOYSA-N 1 0 333.388 2.812 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788113227 1276062759 /nfs/dbraw/zinc/06/27/59/1276062759.db2.gz ALAYRBOTOLFRFZ-DGCLKSJQSA-N 1 0 329.356 2.860 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCc3nccnc32)c([N+](=O)[O-])c1 ZINC001170323461 1279015504 /nfs/dbraw/zinc/01/55/04/1279015504.db2.gz KVTOUQDNUOKMIF-LRDDRELGSA-N 1 0 342.399 2.992 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788634483 1276250108 /nfs/dbraw/zinc/25/01/08/1276250108.db2.gz ZGCPTTBWDRJLAY-SWLSCSKDSA-N 1 0 346.431 2.619 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000788673906 1276254362 /nfs/dbraw/zinc/25/43/62/1276254362.db2.gz YYROWRWUFUOTIM-JCGVRSQUSA-N 1 0 329.400 2.820 20 5 EFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000788688325 1276259403 /nfs/dbraw/zinc/25/94/03/1276259403.db2.gz SJMOSEPGXXYVII-BXUZGUMPSA-N 1 0 343.383 2.840 20 5 EFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788755605 1276290296 /nfs/dbraw/zinc/29/02/96/1276290296.db2.gz FYNYBPSPSJHMBH-BBRMVZONSA-N 1 0 329.400 2.740 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827559 1276341618 /nfs/dbraw/zinc/34/16/18/1276341618.db2.gz MNBFKHISDOUUEW-NSHDSACASA-N 1 0 325.372 2.947 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817909628 1276370647 /nfs/dbraw/zinc/37/06/47/1276370647.db2.gz WPXACUAPKDLIHI-QMTHXVAHSA-N 1 0 325.796 2.595 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352353 1279031872 /nfs/dbraw/zinc/03/18/72/1279031872.db2.gz MHCBPRLSLRGZJV-GOEBONIOSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170309215 1279031878 /nfs/dbraw/zinc/03/18/78/1279031878.db2.gz PLFCFAZJBIVXCJ-SGTLLEGYSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170355310 1279033414 /nfs/dbraw/zinc/03/34/14/1279033414.db2.gz ZJKKMWOYSNNSPY-YEWWUXTCSA-N 1 0 333.432 2.560 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355057 1279033922 /nfs/dbraw/zinc/03/39/22/1279033922.db2.gz VMDVAMMFUCNQCA-GOEBONIOSA-N 1 0 335.448 2.949 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170353605 1279034053 /nfs/dbraw/zinc/03/40/53/1279034053.db2.gz ZXGJWTPSMNZZQE-IMJJTQAJSA-N 1 0 333.432 2.703 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355307 1279034083 /nfs/dbraw/zinc/03/40/83/1279034083.db2.gz ZJKKMWOYSNNSPY-DHSIGJKJSA-N 1 0 333.432 2.560 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC[C@@H](C)[NH3+] ZINC001170890033 1276479029 /nfs/dbraw/zinc/47/90/29/1276479029.db2.gz QRYLFOTTZXMIHS-SECBINFHSA-N 1 0 335.795 2.585 20 5 EFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145399 1276490312 /nfs/dbraw/zinc/49/03/12/1276490312.db2.gz FXOXPIYOZYCWOH-KBPBESRZSA-N 1 0 325.453 2.591 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000818961060 1276550688 /nfs/dbraw/zinc/55/06/88/1276550688.db2.gz NQSSBFLYJISMKY-MRXNPFEDSA-N 1 0 336.775 2.950 20 5 EFBDRO CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818963117 1276551834 /nfs/dbraw/zinc/55/18/34/1276551834.db2.gz HAOSDIIVCNDCQH-KRWDZBQOSA-N 1 0 343.383 2.767 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000818954430 1276556977 /nfs/dbraw/zinc/55/69/77/1276556977.db2.gz SVFXNLJVEKPLIM-HNAYVOBHSA-N 1 0 341.411 2.744 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000818954427 1276557339 /nfs/dbraw/zinc/55/73/39/1276557339.db2.gz SVFXNLJVEKPLIM-DNVCBOLYSA-N 1 0 341.411 2.744 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000818956887 1276558429 /nfs/dbraw/zinc/55/84/29/1276558429.db2.gz ATSPPFNGWPXGRW-ZWKOTPCHSA-N 1 0 335.448 2.728 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000818958558 1276559335 /nfs/dbraw/zinc/55/93/35/1276559335.db2.gz QUUNJAZSYFYYDP-MSOLQXFVSA-N 1 0 335.448 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2CCCc3ccccc32)cc1 ZINC000818981168 1276562144 /nfs/dbraw/zinc/56/21/44/1276562144.db2.gz RLFVZAGWBWFTRE-LJQANCHMSA-N 1 0 341.411 2.671 20 5 EFBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984124 1276563731 /nfs/dbraw/zinc/56/37/31/1276563731.db2.gz XNPYMOOTXGQIHM-LIRRHRJNSA-N 1 0 341.411 2.669 20 5 EFBDRO COc1ccccc1C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818989580 1276564300 /nfs/dbraw/zinc/56/43/00/1276564300.db2.gz NZUIGFBSKVJWLM-KRWDZBQOSA-N 1 0 342.395 2.958 20 5 EFBDRO Cc1ccc(OCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818991501 1276565177 /nfs/dbraw/zinc/56/51/77/1276565177.db2.gz FSJVZLMAMGAVIU-SFHVURJKSA-N 1 0 330.384 2.995 20 5 EFBDRO CCOc1ccccc1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819010900 1276570356 /nfs/dbraw/zinc/57/03/56/1276570356.db2.gz IGSVFILFZDBDQF-QGZVFWFLSA-N 1 0 330.384 2.859 20 5 EFBDRO CN(CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000818968804 1276572704 /nfs/dbraw/zinc/57/27/04/1276572704.db2.gz XXYPJZMROFDWFC-GOSISDBHSA-N 1 0 347.390 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000819047600 1276579579 /nfs/dbraw/zinc/57/95/79/1276579579.db2.gz YACGOAPXDXPXPA-INIZCTEOSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000819046447 1276579675 /nfs/dbraw/zinc/57/96/75/1276579675.db2.gz PAWKPYCTJFJWTM-INIZCTEOSA-N 1 0 336.775 2.950 20 5 EFBDRO Cc1ccccc1OCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017744 1276590385 /nfs/dbraw/zinc/59/03/85/1276590385.db2.gz LQBJMURODHMREL-KRWDZBQOSA-N 1 0 330.384 2.995 20 5 EFBDRO COCc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000819037420 1276597339 /nfs/dbraw/zinc/59/73/39/1276597339.db2.gz QVNTVELJGZRMLL-QGZVFWFLSA-N 1 0 334.347 2.704 20 5 EFBDRO COc1cccc(OCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819086893 1276600296 /nfs/dbraw/zinc/60/02/96/1276600296.db2.gz YZNNHPZQEYWJTD-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104691 1276608778 /nfs/dbraw/zinc/60/87/78/1276608778.db2.gz RYGZGJCLSFDIPN-IAGOWNOFSA-N 1 0 344.367 2.750 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(Cl)cs1 ZINC001134803097 1287229298 /nfs/dbraw/zinc/22/92/98/1287229298.db2.gz QVFYATRLLBBFRT-UHFFFAOYSA-N 1 0 345.833 2.891 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000819072254 1276619973 /nfs/dbraw/zinc/61/99/73/1276619973.db2.gz BPWMFVXLYYYZPT-QFBILLFUSA-N 1 0 341.411 2.887 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000819134930 1276622264 /nfs/dbraw/zinc/62/22/64/1276622264.db2.gz PSRHVSHEOISANH-GOSISDBHSA-N 1 0 333.432 2.625 20 5 EFBDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819117329 1276638406 /nfs/dbraw/zinc/63/84/06/1276638406.db2.gz FRECLCSTBWORIR-SCLBCKFNSA-N 1 0 346.383 2.694 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000819184421 1276665494 /nfs/dbraw/zinc/66/54/94/1276665494.db2.gz CYMSLVQUEGQKJT-HNNXBMFYSA-N 1 0 336.775 2.950 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000819194972 1276669511 /nfs/dbraw/zinc/66/95/11/1276669511.db2.gz WANHFGDVMLARLN-OAHLLOKOSA-N 1 0 347.440 2.796 20 5 EFBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819213639 1276690441 /nfs/dbraw/zinc/69/04/41/1276690441.db2.gz NUYWPOGCCIHMFY-MRXNPFEDSA-N 1 0 345.399 2.990 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000819236199 1276701826 /nfs/dbraw/zinc/70/18/26/1276701826.db2.gz DQPHTAFHIIQICY-ZOCIIQOWSA-N 1 0 343.427 2.909 20 5 EFBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819324192 1276726531 /nfs/dbraw/zinc/72/65/31/1276726531.db2.gz VPFBSPOLZOEAOQ-RDJZCZTQSA-N 1 0 328.368 2.530 20 5 EFBDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819360667 1276728754 /nfs/dbraw/zinc/72/87/54/1276728754.db2.gz JXBCUUOMARCDIW-SGTLLEGYSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000819347996 1276737340 /nfs/dbraw/zinc/73/73/40/1276737340.db2.gz FBWPFIPQUMOGDQ-CGTJXYLNSA-N 1 0 343.383 2.533 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789454546 1276738978 /nfs/dbraw/zinc/73/89/78/1276738978.db2.gz AWZKMNWDVAJHDQ-MOPGFXCFSA-N 1 0 344.411 2.818 20 5 EFBDRO COc1cccc(C2(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000819319424 1276745631 /nfs/dbraw/zinc/74/56/31/1276745631.db2.gz MIALMESFICVYPD-SFHVURJKSA-N 1 0 342.395 2.958 20 5 EFBDRO CCCCN(C)c1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819437100 1276770597 /nfs/dbraw/zinc/77/05/97/1276770597.db2.gz HYXKYIORADSBRF-QGZVFWFLSA-N 1 0 347.419 2.501 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819453369 1276775216 /nfs/dbraw/zinc/77/52/16/1276775216.db2.gz UJHUSKMMDGHTNO-SFHVURJKSA-N 1 0 345.399 2.681 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000923125237 1276877240 /nfs/dbraw/zinc/87/72/40/1276877240.db2.gz AUCXPPZNZGQNRO-COXVUDFISA-N 1 0 346.431 2.972 20 5 EFBDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789765337 1276971441 /nfs/dbraw/zinc/97/14/41/1276971441.db2.gz MXVYQKDPFMCLBZ-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](F)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335229 1279026143 /nfs/dbraw/zinc/02/61/43/1279026143.db2.gz MWABWPDGSNDDSU-DYVFJYSZSA-N 1 0 340.395 2.721 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000923289405 1277502960 /nfs/dbraw/zinc/50/29/60/1277502960.db2.gz IASVCYMNSJPWMD-NOZJJQNGSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000923289408 1277503612 /nfs/dbraw/zinc/50/36/12/1277503612.db2.gz IASVCYMNSJPWMD-ZANVPECISA-N 1 0 328.210 2.526 20 5 EFBDRO CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000821400820 1277536427 /nfs/dbraw/zinc/53/64/27/1277536427.db2.gz IENBEUIJEORPRX-IRXDYDNUSA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000790584173 1277662189 /nfs/dbraw/zinc/66/21/89/1277662189.db2.gz QWVRLRBWCVIHTR-BJIFSAINSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790576255 1277680917 /nfs/dbraw/zinc/68/09/17/1277680917.db2.gz KNJHIVTUGDRQGN-JTQLQIEISA-N 1 0 345.802 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc(CCc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871796325 1287295257 /nfs/dbraw/zinc/29/52/57/1287295257.db2.gz PTNFFVRKLUWWFE-AGUYFDCRSA-N 1 0 328.372 2.761 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1F ZINC000791045367 1277928081 /nfs/dbraw/zinc/92/80/81/1277928081.db2.gz VNCPPRVQOBGJJO-CQSZACIVSA-N 1 0 337.395 2.893 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC001170307841 1279030632 /nfs/dbraw/zinc/03/06/32/1279030632.db2.gz ISISHTOUMRPSJX-CYBMUJFWSA-N 1 0 330.384 2.817 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170345430 1279049338 /nfs/dbraw/zinc/04/93/38/1279049338.db2.gz KJQTYYZKFLOYCP-CQSZACIVSA-N 1 0 333.432 2.562 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170345224 1279049504 /nfs/dbraw/zinc/04/95/04/1279049504.db2.gz IEKOOFHIBDSEFG-ZBFHGGJFSA-N 1 0 333.432 2.705 20 5 EFBDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001170347948 1279054421 /nfs/dbraw/zinc/05/44/21/1279054421.db2.gz TVHAEGPBGABICU-AWEZNQCLSA-N 1 0 335.448 2.951 20 5 EFBDRO CC[N@H+](CCn1cccn1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351123 1279057596 /nfs/dbraw/zinc/05/75/96/1279057596.db2.gz FMXOPPGFUVZJLP-CQSZACIVSA-N 1 0 332.404 2.753 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878745 1279232634 /nfs/dbraw/zinc/23/26/34/1279232634.db2.gz ZULMYCPBPHIGDO-LRDDRELGSA-N 1 0 345.355 2.757 20 5 EFBDRO CC(C)(CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000844964878 1279364496 /nfs/dbraw/zinc/36/44/96/1279364496.db2.gz PSPGTVSVPYQZTK-GOSISDBHSA-N 1 0 333.432 2.603 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC3CCC3)CC2)cc1 ZINC000793323961 1279547761 /nfs/dbraw/zinc/54/77/61/1279547761.db2.gz VRMKJMBHNUPWJT-INIZCTEOSA-N 1 0 333.432 2.704 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845489454 1279678388 /nfs/dbraw/zinc/67/83/88/1279678388.db2.gz LSROIIHOBIPMOJ-UHFFFAOYSA-N 1 0 345.802 2.934 20 5 EFBDRO COc1ccc(CC(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845734146 1279805423 /nfs/dbraw/zinc/80/54/23/1279805423.db2.gz FTMFAEKWPUUDJX-ZDUSSCGKSA-N 1 0 336.388 2.562 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)C1 ZINC000793765308 1279845761 /nfs/dbraw/zinc/84/57/61/1279845761.db2.gz HXAZQOXPXDUMGL-MRXNPFEDSA-N 1 0 349.822 2.583 20 5 EFBDRO C[C@H](CC(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])n1ccnc1 ZINC000845882335 1279904391 /nfs/dbraw/zinc/90/43/91/1279904391.db2.gz SRRJKLISPKCXFS-XHBSWPGZSA-N 1 0 335.335 2.923 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000794271430 1280103866 /nfs/dbraw/zinc/10/38/66/1280103866.db2.gz MAILCSMQQTWWDY-ZDUSSCGKSA-N 1 0 336.436 2.511 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCOCC1 ZINC000872016695 1287400302 /nfs/dbraw/zinc/40/03/02/1287400302.db2.gz MWMAJQFOONXMIA-ZDUSSCGKSA-N 1 0 339.461 2.690 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)C(C)C ZINC000872017444 1287400348 /nfs/dbraw/zinc/40/03/48/1287400348.db2.gz BKJRBKWUYOHEHA-NSHDSACASA-N 1 0 325.434 2.740 20 5 EFBDRO COCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872030616 1287405519 /nfs/dbraw/zinc/40/55/19/1287405519.db2.gz ITKULTRSXZQTMD-GFCCVEGCSA-N 1 0 327.450 2.546 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000872031988 1287406537 /nfs/dbraw/zinc/40/65/37/1287406537.db2.gz OSCRHGCAHIGKFY-PWSUYJOCSA-N 1 0 347.444 2.882 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000872033981 1287407007 /nfs/dbraw/zinc/40/70/07/1287407007.db2.gz KUOFGJVFCHNJRJ-QWHCGFSZSA-N 1 0 339.461 2.688 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1(C)C ZINC001170452514 1280231973 /nfs/dbraw/zinc/23/19/73/1280231973.db2.gz AJYZBNOLQSNAQY-UHFFFAOYSA-N 1 0 332.408 2.929 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872035314 1287407694 /nfs/dbraw/zinc/40/76/94/1287407694.db2.gz LTWSQXOIKMIOAT-OLZOCXBDSA-N 1 0 339.461 2.688 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC001170453548 1280254173 /nfs/dbraw/zinc/25/41/73/1280254173.db2.gz NAJSRGXEFCGFJP-UHFFFAOYSA-N 1 0 342.827 2.945 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)F)o1 ZINC001149390912 1280262367 /nfs/dbraw/zinc/26/23/67/1280262367.db2.gz ZSYJFDMRHXLRCK-UHFFFAOYSA-N 1 0 339.298 2.645 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804524108 1280264653 /nfs/dbraw/zinc/26/46/53/1280264653.db2.gz KDTMYHXXNUUBIU-JSGCOSHPSA-N 1 0 335.379 2.741 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O ZINC000872045349 1287410919 /nfs/dbraw/zinc/41/09/19/1287410919.db2.gz ZSZPYNCAPCGFNQ-GHMZBOCLSA-N 1 0 346.474 2.791 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000804563953 1280287604 /nfs/dbraw/zinc/28/76/04/1280287604.db2.gz GMUISLKATLODLZ-GXTWGEPZSA-N 1 0 346.387 2.956 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804579741 1280301857 /nfs/dbraw/zinc/30/18/57/1280301857.db2.gz MSBFAEQDZILRHW-ZDUSSCGKSA-N 1 0 334.376 2.671 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000872053130 1287413026 /nfs/dbraw/zinc/41/30/26/1287413026.db2.gz SFZIDAUDIRYMGA-GFCCVEGCSA-N 1 0 340.445 2.756 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1Cl ZINC000815290624 1287414017 /nfs/dbraw/zinc/41/40/17/1287414017.db2.gz LPHSKYZRCCHSFL-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846615059 1280322659 /nfs/dbraw/zinc/32/26/59/1280322659.db2.gz XHDAQDAVVGLJIF-UHFFFAOYSA-N 1 0 341.358 2.631 20 5 EFBDRO CO[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOC1 ZINC000872062384 1287416410 /nfs/dbraw/zinc/41/64/10/1287416410.db2.gz MKPOGKSWFJNLKL-ABAIWWIYSA-N 1 0 326.418 2.773 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000747209966 1280355265 /nfs/dbraw/zinc/35/52/65/1280355265.db2.gz OVVZUZGYWJUJJH-QGZVFWFLSA-N 1 0 349.431 2.797 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872066715 1287418546 /nfs/dbraw/zinc/41/85/46/1287418546.db2.gz KRGNWHUJHSSRPW-XOMBGVMMSA-N 1 0 340.445 2.897 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000846662229 1280404987 /nfs/dbraw/zinc/40/49/87/1280404987.db2.gz OHOXQHBGSYFUBZ-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001091358989 1280429502 /nfs/dbraw/zinc/42/95/02/1280429502.db2.gz QSBKIJBPURSBKA-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO CC(C)c1ncsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134983658 1287434306 /nfs/dbraw/zinc/43/43/06/1287434306.db2.gz WRQMJQDLKJEOEC-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846924674 1280620210 /nfs/dbraw/zinc/62/02/10/1280620210.db2.gz ZIWYPDBWTUCZJR-SFHVURJKSA-N 1 0 325.368 2.813 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000846934218 1280626612 /nfs/dbraw/zinc/62/66/12/1280626612.db2.gz DYXPACGMRNOSBY-UHFFFAOYSA-N 1 0 332.379 2.693 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000846907780 1280630427 /nfs/dbraw/zinc/63/04/27/1280630427.db2.gz JGVPRHUSYSLECH-CYBMUJFWSA-N 1 0 328.328 2.888 20 5 EFBDRO CCc1cccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001130400603 1280809238 /nfs/dbraw/zinc/80/92/38/1280809238.db2.gz DRHNMAZAJRCVHW-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO Cc1ccc(NC2(CNC(=O)CCCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001110187586 1287449573 /nfs/dbraw/zinc/44/95/73/1287449573.db2.gz OSLFBXQRMHOEOX-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO CCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001146273730 1280864595 /nfs/dbraw/zinc/86/45/95/1280864595.db2.gz HSWRUKJVAZHJSI-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)cc2)cc1 ZINC001170783638 1287471422 /nfs/dbraw/zinc/47/14/22/1287471422.db2.gz YOLZVKREMUFBQH-SJKOYZFVSA-N 1 0 345.424 2.738 20 5 EFBDRO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147105357 1281107304 /nfs/dbraw/zinc/10/73/04/1281107304.db2.gz DNFHHDJICHKASN-UUASQNMZSA-N 1 0 343.427 2.985 20 5 EFBDRO [NH3+]CCOCCOCCNc1nc2ccccc2c2ccccc21 ZINC001170513747 1281180621 /nfs/dbraw/zinc/18/06/21/1281180621.db2.gz YBCVFIQCDRIIFY-UHFFFAOYSA-N 1 0 325.412 2.792 20 5 EFBDRO CCc1oc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001147583430 1281212349 /nfs/dbraw/zinc/21/23/49/1281212349.db2.gz DPQMQBOBNIDHLR-UHFFFAOYSA-N 1 0 331.372 2.578 20 5 EFBDRO CCc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001130965662 1281341841 /nfs/dbraw/zinc/34/18/41/1281341841.db2.gz ISGKLAAJJRGVLN-UHFFFAOYSA-N 1 0 339.442 2.800 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001131120783 1281486507 /nfs/dbraw/zinc/48/65/07/1281486507.db2.gz WKTMNRPNMLACAI-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001171328512 1281489823 /nfs/dbraw/zinc/48/98/23/1281489823.db2.gz ADDBANKHMGUWTA-CQSZACIVSA-N 1 0 327.388 2.914 20 5 EFBDRO C[NH+]1CCC(ONC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000808023927 1281502696 /nfs/dbraw/zinc/50/26/96/1281502696.db2.gz DJJDQTXMUMFWCC-UHFFFAOYSA-N 1 0 335.404 2.648 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000808048941 1281521731 /nfs/dbraw/zinc/52/17/31/1281521731.db2.gz MUURMLZSAHUCRS-CYBMUJFWSA-N 1 0 335.404 2.710 20 5 EFBDRO Cc1nc(C(C)C)oc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135014755 1287504488 /nfs/dbraw/zinc/50/44/88/1287504488.db2.gz XIQRPTZISADRMW-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148511385 1281576614 /nfs/dbraw/zinc/57/66/14/1281576614.db2.gz KSONIZNOODLJFQ-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000808189841 1281580124 /nfs/dbraw/zinc/58/01/24/1281580124.db2.gz BDQVBYPKIXNMSG-YOEHRIQHSA-N 1 0 343.431 2.769 20 5 EFBDRO C[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001148488303 1281585012 /nfs/dbraw/zinc/58/50/12/1281585012.db2.gz AWQIETPDLWBUHT-AULYBMBSSA-N 1 0 325.434 2.688 20 5 EFBDRO O=C1N(C[N@@H+]2CCC[C@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000808230494 1281615658 /nfs/dbraw/zinc/61/56/58/1281615658.db2.gz IZWCFDHBCOLKQA-HNNXBMFYSA-N 1 0 344.415 2.916 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000808486858 1281733791 /nfs/dbraw/zinc/73/37/91/1281733791.db2.gz LEQUDRMDQNMGQH-CYBMUJFWSA-N 1 0 335.404 2.692 20 5 EFBDRO Cc1cc(C)cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001148992873 1281835199 /nfs/dbraw/zinc/83/51/99/1281835199.db2.gz GCLIFKAJRRLREI-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)c1 ZINC000808708292 1281867225 /nfs/dbraw/zinc/86/72/25/1281867225.db2.gz FSRWXPXBNDQUMS-IBGZPJMESA-N 1 0 341.411 2.841 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000808781930 1281897820 /nfs/dbraw/zinc/89/78/20/1281897820.db2.gz YAGIATVVPNAFPS-UHFFFAOYSA-N 1 0 342.871 2.564 20 5 EFBDRO COc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000809734702 1282411273 /nfs/dbraw/zinc/41/12/73/1282411273.db2.gz KBVVLPFCLMSDMM-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000809710766 1282421193 /nfs/dbraw/zinc/42/11/93/1282421193.db2.gz XKXWUZADMUMIOV-UHFFFAOYSA-N 1 0 341.795 2.816 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000809790316 1282488817 /nfs/dbraw/zinc/48/88/17/1282488817.db2.gz BMRFJFOJHSXRCA-UHFFFAOYSA-N 1 0 328.434 2.631 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000809913834 1282560239 /nfs/dbraw/zinc/56/02/39/1282560239.db2.gz SZMGQIKNLMWROG-ZJUUUORDSA-N 1 0 326.784 2.852 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000809913832 1282560502 /nfs/dbraw/zinc/56/05/02/1282560502.db2.gz SZMGQIKNLMWROG-UWVGGRQHSA-N 1 0 326.784 2.852 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CCC2)CCC1 ZINC001131941182 1282603812 /nfs/dbraw/zinc/60/38/12/1282603812.db2.gz XCZZYWUOTZBSLQ-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C2CCC2)CCC1 ZINC001131941273 1282604736 /nfs/dbraw/zinc/60/47/36/1282604736.db2.gz ZVMHGJWAAGXEBD-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001131945291 1282614438 /nfs/dbraw/zinc/61/44/38/1282614438.db2.gz UYMKIPWBWQPQDR-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132020763 1282736771 /nfs/dbraw/zinc/73/67/71/1282736771.db2.gz QLGRVEIHOXCEGR-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815555661 1287594532 /nfs/dbraw/zinc/59/45/32/1287594532.db2.gz DZAQTTMQFVHBHN-LBPRGKRZSA-N 1 0 331.372 2.915 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557363 1287595119 /nfs/dbraw/zinc/59/51/19/1287595119.db2.gz SCXINYNIXKRDSC-LBPRGKRZSA-N 1 0 338.371 2.609 20 5 EFBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564681 1287598110 /nfs/dbraw/zinc/59/81/10/1287598110.db2.gz POFAMNULKXVMMV-DZGCQCFKSA-N 1 0 329.400 2.679 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)c2)CC1 ZINC001175902708 1287602592 /nfs/dbraw/zinc/60/25/92/1287602592.db2.gz QICLVMJTTXKMGR-VOTSOKGWSA-N 1 0 339.399 2.824 20 5 EFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592818 1287619628 /nfs/dbraw/zinc/61/96/28/1287619628.db2.gz TZIFZLXRMPYBLO-NSHDSACASA-N 1 0 346.343 2.815 20 5 EFBDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595809 1287624675 /nfs/dbraw/zinc/62/46/75/1287624675.db2.gz BXUYSWYCWUPMMV-JTQLQIEISA-N 1 0 336.779 2.955 20 5 EFBDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815574733 1287631923 /nfs/dbraw/zinc/63/19/23/1287631923.db2.gz BFYYKMKBIBGBBM-BXUZGUMPSA-N 1 0 343.383 2.840 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625935 1287645503 /nfs/dbraw/zinc/64/55/03/1287645503.db2.gz QIDGXRIEKQGPJS-OIRASMEMSA-N 1 0 347.440 2.906 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000715095559 1284031794 /nfs/dbraw/zinc/03/17/94/1284031794.db2.gz FUQPKBNFPXVARN-MQMHXKEQSA-N 1 0 335.404 2.988 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132697921 1284159939 /nfs/dbraw/zinc/15/99/39/1284159939.db2.gz WNTYXGIJIPANTM-UHFFFAOYSA-N 1 0 330.388 2.566 20 5 EFBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C(C)C ZINC001132722885 1284180557 /nfs/dbraw/zinc/18/05/57/1284180557.db2.gz NMSKKSGGEUBPFR-UHFFFAOYSA-N 1 0 344.415 2.805 20 5 EFBDRO CSC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000872627588 1287703840 /nfs/dbraw/zinc/70/38/40/1287703840.db2.gz GHSMVXXKCNWIKT-UHFFFAOYSA-N 1 0 333.417 2.638 20 5 EFBDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000811509903 1284388209 /nfs/dbraw/zinc/38/82/09/1284388209.db2.gz KRVGYVHLPQCLIC-UHFFFAOYSA-N 1 0 333.775 2.566 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccccc1-n1cnnn1 ZINC001171424443 1284415239 /nfs/dbraw/zinc/41/52/39/1284415239.db2.gz VNVCIPVKNGEJBS-UHFFFAOYSA-N 1 0 337.451 2.871 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC001132934827 1284461117 /nfs/dbraw/zinc/46/11/17/1284461117.db2.gz BTMUARLXOOKGIF-UHFFFAOYSA-N 1 0 329.356 2.585 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccoc1C1CC1 ZINC001132934950 1284461364 /nfs/dbraw/zinc/46/13/64/1284461364.db2.gz FVBIMYMWTGUSLD-UHFFFAOYSA-N 1 0 329.356 2.585 20 5 EFBDRO CCc1ccccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133029948 1284682008 /nfs/dbraw/zinc/68/20/08/1284682008.db2.gz JZYMMBZYUKODTD-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811859114 1284699462 /nfs/dbraw/zinc/69/94/62/1284699462.db2.gz NHUORAIYBBSKLP-GFCCVEGCSA-N 1 0 334.420 2.628 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811848647 1284716979 /nfs/dbraw/zinc/71/69/79/1284716979.db2.gz NHUORAIYBBSKLP-LBPRGKRZSA-N 1 0 334.420 2.628 20 5 EFBDRO Cc1cc(C)cc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001133241548 1285036440 /nfs/dbraw/zinc/03/64/40/1285036440.db2.gz MXDWJOIYZZNLGG-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO Cc1cc(C)cc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001133238880 1285064417 /nfs/dbraw/zinc/06/44/17/1285064417.db2.gz AKGUFWPLYRDGRI-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO O=C(CCC[NH+]1CCCCC1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094440981 1285106313 /nfs/dbraw/zinc/10/63/13/1285106313.db2.gz HRBRENFGVPJUQF-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO Cc1ccc(C)c(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001133300165 1285150596 /nfs/dbraw/zinc/15/05/96/1285150596.db2.gz NJTWZPYRKFCOPZ-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170678905 1285186852 /nfs/dbraw/zinc/18/68/52/1285186852.db2.gz ISZHJQAOCWRGOJ-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO Cc1cc(NCCCNC(=O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001094541376 1285273268 /nfs/dbraw/zinc/27/32/68/1285273268.db2.gz LLGHFRKLUUFBCE-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001094568911 1285331196 /nfs/dbraw/zinc/33/11/96/1285331196.db2.gz ZYDCUFQLZZUJEB-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO C[NH+](C)C1(CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001094688687 1285498015 /nfs/dbraw/zinc/49/80/15/1285498015.db2.gz GABQFNDSPLLHPJ-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[NH+](C)C1(CC(=O)NCCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001094690104 1285498067 /nfs/dbraw/zinc/49/80/67/1285498067.db2.gz WWCFTDLKRIYYSX-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(CCc1ccccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171864983 1285866125 /nfs/dbraw/zinc/86/61/25/1285866125.db2.gz LDOQRHIIOMGSOO-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000822569072 1289035521 /nfs/dbraw/zinc/03/55/21/1289035521.db2.gz NIJBBBFRIXWNSK-RRQGHBQHSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813468144 1285936658 /nfs/dbraw/zinc/93/66/58/1285936658.db2.gz RXJHMYLUUKDZHG-SECBINFHSA-N 1 0 346.214 2.973 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1ccncc1)CC2 ZINC001172902946 1286307622 /nfs/dbraw/zinc/30/76/22/1286307622.db2.gz NJBKVWIXLYDHIZ-FUHWJXTLSA-N 1 0 327.384 2.560 20 5 EFBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903277 1286307647 /nfs/dbraw/zinc/30/76/47/1286307647.db2.gz GJUPHFBNSXPCGU-WBVHZDCISA-N 1 0 332.400 2.870 20 5 EFBDRO CNC(=O)[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172904342 1286309162 /nfs/dbraw/zinc/30/91/62/1286309162.db2.gz XJNAXQBBVSFGIQ-GOEBONIOSA-N 1 0 333.432 2.593 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccn(CCF)n1)CC2 ZINC001172904576 1286309379 /nfs/dbraw/zinc/30/93/79/1286309379.db2.gz OIHVFORXPIIDSI-OAHLLOKOSA-N 1 0 332.379 2.798 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920923 1286328206 /nfs/dbraw/zinc/32/82/06/1286328206.db2.gz MJAOYBINDLQURZ-CVEARBPZSA-N 1 0 332.400 2.870 20 5 EFBDRO Cn1ncc2c1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921351 1286328831 /nfs/dbraw/zinc/32/88/31/1286328831.db2.gz PAVUVIJSIBHENB-MRXNPFEDSA-N 1 0 326.400 2.634 20 5 EFBDRO O=C(Cc1ccccc1Cl)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150109200 1286341282 /nfs/dbraw/zinc/34/12/82/1286341282.db2.gz MJFMIHUXRYHLHX-UHFFFAOYSA-N 1 0 347.802 2.697 20 5 EFBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912805 1286353754 /nfs/dbraw/zinc/35/37/54/1286353754.db2.gz QEPNTCCVVOECCL-HRCADAONSA-N 1 0 332.400 2.774 20 5 EFBDRO O=C1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]2CCCN12 ZINC001172913140 1286354001 /nfs/dbraw/zinc/35/40/01/1286354001.db2.gz PDWKATYHRGLPCL-SJLPKXTDSA-N 1 0 343.427 2.539 20 5 EFBDRO C[NH+](C)CCC(=O)NCCCCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094993423 1286355588 /nfs/dbraw/zinc/35/55/88/1286355588.db2.gz QKKRIFCTKDNKGY-UHFFFAOYSA-N 1 0 336.436 2.635 20 5 EFBDRO CCCOCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009896 1286381793 /nfs/dbraw/zinc/38/17/93/1286381793.db2.gz DHJGSIJLFZLXHB-UHFFFAOYSA-N 1 0 343.374 2.858 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cnoc3)CC2)c(F)c1 ZINC001173010866 1286383339 /nfs/dbraw/zinc/38/33/39/1286383339.db2.gz JQTNWGJVRLDZPG-UHFFFAOYSA-N 1 0 338.314 2.620 20 5 EFBDRO C[N@H+]([C@@H]1CCOC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016155 1286384700 /nfs/dbraw/zinc/38/47/00/1286384700.db2.gz BNLOMOXAUUXWIC-GFCCVEGCSA-N 1 0 341.358 2.563 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)C(C)(C)C)c1F ZINC001173175356 1286451128 /nfs/dbraw/zinc/45/11/28/1286451128.db2.gz ASZZZQFOWRZPPS-SNVBAGLBSA-N 1 0 326.368 2.878 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccncc2F)c1F ZINC001173175129 1286451475 /nfs/dbraw/zinc/45/14/75/1286451475.db2.gz AHAXUKJCNQVTIU-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174978 1286451548 /nfs/dbraw/zinc/45/15/48/1286451548.db2.gz HRMIIFVMWZMKMX-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ncc(C)cn2)c1F ZINC001173176173 1286452162 /nfs/dbraw/zinc/45/21/62/1286452162.db2.gz ZVBDFXXPZGUNRD-GFCCVEGCSA-N 1 0 348.378 2.604 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1F ZINC001173177494 1286452213 /nfs/dbraw/zinc/45/22/13/1286452213.db2.gz AZMWWYUAGVYATF-SDDRHHMPSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)CC(C)C)c1F ZINC001173176168 1286452344 /nfs/dbraw/zinc/45/23/44/1286452344.db2.gz ZRBFOWDVTLDWHV-VXGBXAGGSA-N 1 0 328.384 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCCCCO)c1F ZINC001173176032 1286452386 /nfs/dbraw/zinc/45/23/86/1286452386.db2.gz FQVMTMFQRYHKMZ-LBPRGKRZSA-N 1 0 328.384 2.816 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3cnn(C)c3)CC2)c1F ZINC001173176525 1286452742 /nfs/dbraw/zinc/45/27/42/1286452742.db2.gz HRPBLVJXHMXFNM-NSHDSACASA-N 1 0 348.378 2.686 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)C ZINC001173176110 1286452769 /nfs/dbraw/zinc/45/27/69/1286452769.db2.gz XPBSJVAKAYRNET-DGCLKSJQSA-N 1 0 328.384 2.934 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)c1F ZINC001173175867 1286452805 /nfs/dbraw/zinc/45/28/05/1286452805.db2.gz UDSQLXDPGXEUJY-UTUOFQBUSA-N 1 0 326.368 2.688 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H](O)CC[C@H]2C)c1F ZINC001173179012 1286453789 /nfs/dbraw/zinc/45/37/89/1286453789.db2.gz CZDPQQYCHKCENC-IJLUTSLNSA-N 1 0 326.368 2.519 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](O)CC2)c1F ZINC001173178843 1286453885 /nfs/dbraw/zinc/45/38/85/1286453885.db2.gz BRPVHPGLYCFBFB-VXGBXAGGSA-N 1 0 326.368 2.520 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(O)CCCCC2)c1F ZINC001173178017 1286453996 /nfs/dbraw/zinc/45/39/96/1286453996.db2.gz FQLGFMGFTMBTEH-LBPRGKRZSA-N 1 0 340.395 2.958 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)c1F ZINC001173180383 1286455230 /nfs/dbraw/zinc/45/52/30/1286455230.db2.gz KFZSBMPHEKVZBI-SJKOYZFVSA-N 1 0 338.379 2.786 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@H]2CC[C@H](O)CC2)c1F ZINC001173179700 1286455446 /nfs/dbraw/zinc/45/54/46/1286455446.db2.gz GEJRMQVIPFAXLA-JHJVBQTASA-N 1 0 340.395 2.909 20 5 EFBDRO COc1cccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173182164 1286456858 /nfs/dbraw/zinc/45/68/58/1286456858.db2.gz IIFXAMDGAIHTQY-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO C=Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134198930 1286457023 /nfs/dbraw/zinc/45/70/23/1286457023.db2.gz LCUNFAQFMFQZPX-UHFFFAOYSA-N 1 0 325.368 2.757 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOC(F)(F)F)c1F ZINC001173189996 1286457516 /nfs/dbraw/zinc/45/75/16/1286457516.db2.gz SUIKSASZZXQURK-QMMMGPOBSA-N 1 0 340.273 2.800 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1F ZINC001173190876 1286457563 /nfs/dbraw/zinc/45/75/63/1286457563.db2.gz ILFMQBVZZQWRKK-NTZNESFSSA-N 1 0 326.368 2.688 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H]2C[NH+](C)C)c1F ZINC001173190077 1286457590 /nfs/dbraw/zinc/45/75/90/1286457590.db2.gz PZZWOUVNOOQYLK-OLZOCXBDSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]([NH+](C)C)C2)c1F ZINC001173190106 1286457626 /nfs/dbraw/zinc/45/76/26/1286457626.db2.gz QIVHEJNQGXUXGV-STQMWFEESA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC([C@H](C)OC)C2)c1F ZINC001173192801 1286459330 /nfs/dbraw/zinc/45/93/30/1286459330.db2.gz MWFCAFNJMUFEMY-MNOVXSKESA-N 1 0 326.368 2.640 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC([C@@H](C)OC)C2)c1F ZINC001173192805 1286459532 /nfs/dbraw/zinc/45/95/32/1286459532.db2.gz MWFCAFNJMUFEMY-WDEREUQCSA-N 1 0 326.368 2.640 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173220162 1286473700 /nfs/dbraw/zinc/47/37/00/1286473700.db2.gz VBPNSGANASDCGI-CQSZACIVSA-N 1 0 345.399 2.736 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001173220370 1286474360 /nfs/dbraw/zinc/47/43/60/1286474360.db2.gz ZHZHHKREVVJNFT-CQSZACIVSA-N 1 0 337.383 2.896 20 5 EFBDRO CCC(=O)N1CCC(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221952 1286474936 /nfs/dbraw/zinc/47/49/36/1286474936.db2.gz RMDHOYKBIVHHKP-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC001173222853 1286476182 /nfs/dbraw/zinc/47/61/82/1286476182.db2.gz ZVLHDUCTESVOIL-CCKFTAQKSA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1cccs1 ZINC001173226987 1286481910 /nfs/dbraw/zinc/48/19/10/1286481910.db2.gz FDDIFJJJEHIESK-LBPRGKRZSA-N 1 0 333.413 2.607 20 5 EFBDRO CCOC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173232005 1286482711 /nfs/dbraw/zinc/48/27/11/1286482711.db2.gz CIGFXVROWIXXOF-CYBMUJFWSA-N 1 0 343.383 2.887 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C1CCOCC1 ZINC001173230140 1286482734 /nfs/dbraw/zinc/48/27/34/1286482734.db2.gz QTVJPNZUIXNZFH-AWEZNQCLSA-N 1 0 344.415 2.864 20 5 EFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230935 1286482826 /nfs/dbraw/zinc/48/28/26/1286482826.db2.gz WOJUPKTZDFCDSM-FVQBIDKESA-N 1 0 333.432 2.953 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001173231261 1286483057 /nfs/dbraw/zinc/48/30/57/1286483057.db2.gz AFIFBMBSHWAGIX-OAHLLOKOSA-N 1 0 341.415 2.528 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001173230892 1286483277 /nfs/dbraw/zinc/48/32/77/1286483277.db2.gz WAOAZNALVPZDLJ-BBRMVZONSA-N 1 0 329.400 2.673 20 5 EFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230933 1286483616 /nfs/dbraw/zinc/48/36/16/1286483616.db2.gz WOJUPKTZDFCDSM-BPUTZDHNSA-N 1 0 333.432 2.953 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC001173233676 1286483915 /nfs/dbraw/zinc/48/39/15/1286483915.db2.gz LTVRIZWFRNLWCG-YOEHRIQHSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC001173233672 1286484625 /nfs/dbraw/zinc/48/46/25/1286484625.db2.gz LTVRIZWFRNLWCG-PBHICJAKSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NCc1ccccc1 ZINC001173234857 1286484629 /nfs/dbraw/zinc/48/46/29/1286484629.db2.gz QLDORGFDBGFMHQ-OAHLLOKOSA-N 1 0 341.411 2.822 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCCCC1=O ZINC001173233283 1286484720 /nfs/dbraw/zinc/48/47/20/1286484720.db2.gz HVIVTNRSWBMZBV-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccc(C[NH3+])nc21 ZINC001173236253 1286485173 /nfs/dbraw/zinc/48/51/73/1286485173.db2.gz ZHUTXKPADHHTGV-CYBMUJFWSA-N 1 0 326.400 2.832 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC001173210031 1286485214 /nfs/dbraw/zinc/48/52/14/1286485214.db2.gz GTDFFAUPTLADBO-LBPRGKRZSA-N 1 0 335.404 2.735 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001173211487 1286485340 /nfs/dbraw/zinc/48/53/40/1286485340.db2.gz SIIAYOZZQDEEOB-IUODEOHRSA-N 1 0 327.384 2.774 20 5 EFBDRO Cc1cccn2c(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)nnc12 ZINC001173209486 1286485886 /nfs/dbraw/zinc/48/58/86/1286485886.db2.gz CGSLDHXQUQMVFF-CYBMUJFWSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccccc1 ZINC001173213212 1286486718 /nfs/dbraw/zinc/48/67/18/1286486718.db2.gz GRDKPCMIBFYGMG-CQSZACIVSA-N 1 0 327.384 2.545 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001173214513 1286488354 /nfs/dbraw/zinc/48/83/54/1286488354.db2.gz OKCYCCTZFCTAPA-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO CCOC(=O)NC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238598 1286496399 /nfs/dbraw/zinc/49/63/99/1286496399.db2.gz VYDTUXMNMUEFFY-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1 ZINC001170748456 1286590350 /nfs/dbraw/zinc/59/03/50/1286590350.db2.gz FGKQQBGEYNMQQX-HNNXBMFYSA-N 1 0 327.388 2.504 20 5 EFBDRO CCN(CC)Cc1csc(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000822701582 1289085777 /nfs/dbraw/zinc/08/57/77/1289085777.db2.gz BDKJRYGDGTYJHU-UHFFFAOYSA-N 1 0 328.438 2.759 20 5 EFBDRO C[NH+](C)CCCCC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095233417 1286720827 /nfs/dbraw/zinc/72/08/27/1286720827.db2.gz WGNZHMNWAQUJAM-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000814928247 1287160975 /nfs/dbraw/zinc/16/09/75/1287160975.db2.gz CNQVJBNSRYMMMD-AOOOYVTPSA-N 1 0 341.795 2.564 20 5 EFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000814928935 1287162782 /nfs/dbraw/zinc/16/27/82/1287162782.db2.gz NSTWRGRDXZDMAC-AOOOYVTPSA-N 1 0 328.210 2.886 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871675079 1287202167 /nfs/dbraw/zinc/20/21/67/1287202167.db2.gz BQSWCBRHLCMGSA-XJKSGUPXSA-N 1 0 348.447 2.693 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC=CCC1 ZINC001176262306 1287934179 /nfs/dbraw/zinc/93/41/79/1287934179.db2.gz SFXXPFBHCGISAL-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816625538 1288214207 /nfs/dbraw/zinc/21/42/07/1288214207.db2.gz HDAKKVRLTKSQTQ-NSHDSACASA-N 1 0 327.812 2.890 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001159538262 1288273577 /nfs/dbraw/zinc/27/35/77/1288273577.db2.gz SWIMAUTWIUNFOD-NTSWFWBYSA-N 1 0 339.705 2.739 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(CF)cc1 ZINC001177169353 1288279241 /nfs/dbraw/zinc/27/92/41/1288279241.db2.gz IMNMUZHWFTYKJC-UHFFFAOYSA-N 1 0 345.374 2.974 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816941219 1288349602 /nfs/dbraw/zinc/34/96/02/1288349602.db2.gz ZOKWNODHVCXZOJ-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817297577 1288526372 /nfs/dbraw/zinc/52/63/72/1288526372.db2.gz WVAXTBUDLKQYRD-LLVKDONJSA-N 1 0 326.784 2.806 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796402221 1299218540 /nfs/dbraw/zinc/21/85/40/1299218540.db2.gz HXLDSYQPEVFHJH-MWODSPESSA-N 1 0 343.836 2.916 20 5 EFBDRO CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001170965479 1288721319 /nfs/dbraw/zinc/72/13/19/1288721319.db2.gz KDPXNJLLZMMROZ-ZFWWWQNUSA-N 1 0 347.415 2.726 20 5 EFBDRO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000821533837 1288746476 /nfs/dbraw/zinc/74/64/76/1288746476.db2.gz IEKKJZRONCSWCA-SECBINFHSA-N 1 0 346.334 2.515 20 5 EFBDRO CCc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458511 1288791585 /nfs/dbraw/zinc/79/15/85/1288791585.db2.gz JRLSOPDPTUQTIK-QZTJIDSGSA-N 1 0 347.459 2.680 20 5 EFBDRO O=C(NCCCCCC[NH2+]CCC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464488 1288794339 /nfs/dbraw/zinc/79/43/39/1288794339.db2.gz UAKVQXQLAYKXGQ-IAGOWNOFSA-N 1 0 337.464 2.808 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822143192 1288892285 /nfs/dbraw/zinc/89/22/85/1288892285.db2.gz GTTVTKZJYZEPTO-CVEARBPZSA-N 1 0 331.416 2.689 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000822163223 1288896957 /nfs/dbraw/zinc/89/69/57/1288896957.db2.gz FGRGMBLIIHZREO-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000822456884 1288996505 /nfs/dbraw/zinc/99/65/05/1288996505.db2.gz GRRMMYUOQNZFRC-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000822457368 1288996780 /nfs/dbraw/zinc/99/67/80/1288996780.db2.gz JCSHKPUOGILRRP-QGZVFWFLSA-N 1 0 347.459 2.775 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000822456892 1288997134 /nfs/dbraw/zinc/99/71/34/1288997134.db2.gz GRRMMYUOQNZFRC-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(c4ccccc4)CC[NH2+]C3)n2)o1 ZINC000823270004 1289256562 /nfs/dbraw/zinc/25/65/62/1289256562.db2.gz MXELUSKCXZXWRZ-MRXNPFEDSA-N 1 0 326.312 2.517 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000823591137 1289367789 /nfs/dbraw/zinc/36/77/89/1289367789.db2.gz IYHFYESGBPOVTR-GOSISDBHSA-N 1 0 330.384 2.813 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933030 1289495225 /nfs/dbraw/zinc/49/52/25/1289495225.db2.gz JHJWOIHUKHKDIK-AWEZNQCLSA-N 1 0 349.435 2.809 20 5 EFBDRO Nc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000824003174 1289498572 /nfs/dbraw/zinc/49/85/72/1289498572.db2.gz RJAWWLTYTXZZRB-UHFFFAOYSA-N 1 0 347.419 2.659 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000823980478 1289505366 /nfs/dbraw/zinc/50/53/66/1289505366.db2.gz NMEMARYYVJXDRI-AAEUAGOBSA-N 1 0 335.408 2.514 20 5 EFBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000823994175 1289509687 /nfs/dbraw/zinc/50/96/87/1289509687.db2.gz NRASYJDEVOTTDP-HNNXBMFYSA-N 1 0 337.424 2.665 20 5 EFBDRO Cc1c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000873013558 1289519446 /nfs/dbraw/zinc/51/94/46/1289519446.db2.gz CVDCVHRLOYTMLG-GFCCVEGCSA-N 1 0 331.338 2.877 20 5 EFBDRO Cc1c(C[NH2+]CCC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873030222 1289529559 /nfs/dbraw/zinc/52/95/59/1289529559.db2.gz CGKURLRHNRIXFQ-UHFFFAOYSA-N 1 0 327.384 2.699 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000824109313 1289545337 /nfs/dbraw/zinc/54/53/37/1289545337.db2.gz SVZLMWBNLFKQHC-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873077781 1289556662 /nfs/dbraw/zinc/55/66/62/1289556662.db2.gz FFMIVNQGURRCPN-INIZCTEOSA-N 1 0 331.416 2.784 20 5 EFBDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873100794 1289568667 /nfs/dbraw/zinc/56/86/67/1289568667.db2.gz FCIQJBDWBBFUEH-UHFFFAOYSA-N 1 0 348.424 2.987 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cccc1[N+](=O)[O-] ZINC000873120788 1289578824 /nfs/dbraw/zinc/57/88/24/1289578824.db2.gz AAHVNEIWKGYRNZ-RDJZCZTQSA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000873129931 1289586010 /nfs/dbraw/zinc/58/60/10/1289586010.db2.gz VGTHYMFWHBYXPE-RHSMWYFYSA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000873129705 1289586518 /nfs/dbraw/zinc/58/65/18/1289586518.db2.gz QXTIBJBVRDPKEN-ZBFHGGJFSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873131570 1289587911 /nfs/dbraw/zinc/58/79/11/1289587911.db2.gz WABPSZUNNXQFNS-ZDUSSCGKSA-N 1 0 328.372 2.723 20 5 EFBDRO Cc1c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000873137159 1289591764 /nfs/dbraw/zinc/59/17/64/1289591764.db2.gz QSUNMKSSTYYOEN-UHFFFAOYSA-N 1 0 340.445 2.740 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000873138027 1289592783 /nfs/dbraw/zinc/59/27/83/1289592783.db2.gz AMYPNRYOSZCNIM-CQSZACIVSA-N 1 0 333.432 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824311334 1289601517 /nfs/dbraw/zinc/60/15/17/1289601517.db2.gz CHRKATKGQRWOLM-GOEBONIOSA-N 1 0 331.416 2.958 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000873177246 1289622381 /nfs/dbraw/zinc/62/23/81/1289622381.db2.gz BBJVMSZKSHWRTF-HAQNSBGRSA-N 1 0 332.356 2.724 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000873195547 1289634005 /nfs/dbraw/zinc/63/40/05/1289634005.db2.gz NSKYTZOTCUHSCA-SGTLLEGYSA-N 1 0 346.383 2.824 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873298440 1289711640 /nfs/dbraw/zinc/71/16/40/1289711640.db2.gz PEAXJHXLVSSMHD-OAHLLOKOSA-N 1 0 340.383 2.739 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000873299791 1289712366 /nfs/dbraw/zinc/71/23/66/1289712366.db2.gz WEBIQMVOXKWEHS-AWEZNQCLSA-N 1 0 325.368 2.742 20 5 EFBDRO CC(C)c1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000824602974 1289721671 /nfs/dbraw/zinc/72/16/71/1289721671.db2.gz KATMWJPRAAOMSE-UHFFFAOYSA-N 1 0 344.419 2.595 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825670085 1289733018 /nfs/dbraw/zinc/73/30/18/1289733018.db2.gz HWTGPTONRJHTHM-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO Nc1ccc2n(C(=O)C34CC[NH+](CC3)CC4)c3ccccc3cc-2c1=O ZINC001181550808 1289843870 /nfs/dbraw/zinc/84/38/70/1289843870.db2.gz OEWVMLUFKVNYKN-UHFFFAOYSA-N 1 0 347.418 2.815 20 5 EFBDRO Cc1nn(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247117874 1290006764 /nfs/dbraw/zinc/00/67/64/1290006764.db2.gz PNIGFJQJLFIWOL-RHSMWYFYSA-N 1 0 349.479 2.952 20 5 EFBDRO CC(C)C1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001166262925 1312753369 /nfs/dbraw/zinc/75/33/69/1312753369.db2.gz LYCHNUKMKMDFDO-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO Nc1ccc2n(C(=O)[C@H]3C[NH+]4CCC3CC4)c3ccccc3cc-2c1=O ZINC001182009538 1290057566 /nfs/dbraw/zinc/05/75/66/1290057566.db2.gz BXNQXWSMBOYBMB-INIZCTEOSA-N 1 0 347.418 2.671 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876852788 1291048148 /nfs/dbraw/zinc/04/81/48/1291048148.db2.gz BFBATYUGVGCYSY-OAHLLOKOSA-N 1 0 331.416 2.673 20 5 EFBDRO [NH3+]CCCCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000876937980 1291079730 /nfs/dbraw/zinc/07/97/30/1291079730.db2.gz LKIYFEPLTPQBOG-UHFFFAOYSA-N 1 0 344.209 2.606 20 5 EFBDRO CCOC(=O)N1CCC(C)(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000877062824 1291121916 /nfs/dbraw/zinc/12/19/16/1291121916.db2.gz CXBPUYNFHXNSKY-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO C[C@H]1CCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877153169 1291149338 /nfs/dbraw/zinc/14/93/38/1291149338.db2.gz FSOHBQNQEPPZIG-VIFPVBQESA-N 1 0 348.266 2.993 20 5 EFBDRO C[C@@](CO)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000877159030 1291150392 /nfs/dbraw/zinc/15/03/92/1291150392.db2.gz RBASXEBCFSJCTE-NSHDSACASA-N 1 0 335.223 2.669 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000877159598 1291151735 /nfs/dbraw/zinc/15/17/35/1291151735.db2.gz ZKXLZHWEQFMWOW-HNNXBMFYSA-N 1 0 345.374 2.732 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000877159599 1291152113 /nfs/dbraw/zinc/15/21/13/1291152113.db2.gz ZKXLZHWEQFMWOW-OAHLLOKOSA-N 1 0 345.374 2.732 20 5 EFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877530062 1291262470 /nfs/dbraw/zinc/26/24/70/1291262470.db2.gz PFDGFFOKCSTDRL-MRXNPFEDSA-N 1 0 333.432 2.950 20 5 EFBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000795701768 1291267351 /nfs/dbraw/zinc/26/73/51/1291267351.db2.gz MJPGXGXRTKZSCH-CZUORRHYSA-N 1 0 343.431 2.769 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000795728931 1291338881 /nfs/dbraw/zinc/33/88/81/1291338881.db2.gz ZNQDMJQFYWVARV-UHFFFAOYSA-N 1 0 330.388 2.793 20 5 EFBDRO CC(F)(F)C1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001166838266 1312850933 /nfs/dbraw/zinc/85/09/33/1312850933.db2.gz ACHYQCIGIMMVSS-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000877927770 1291420215 /nfs/dbraw/zinc/42/02/15/1291420215.db2.gz DPFJPINNNFXKHF-GOSISDBHSA-N 1 0 344.415 2.545 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](C[C@H]2CCOC2)C2CC2)o1 ZINC000877961562 1291430146 /nfs/dbraw/zinc/43/01/46/1291430146.db2.gz NVKKXPCZPJZBRS-GFCCVEGCSA-N 1 0 344.371 2.646 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCOC1 ZINC000878087104 1291487360 /nfs/dbraw/zinc/48/73/60/1291487360.db2.gz XSBPGRPOQZKCNE-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1ncc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001166889142 1312860897 /nfs/dbraw/zinc/86/08/97/1312860897.db2.gz NWMCRJHJXMQOLR-CQSZACIVSA-N 1 0 343.387 2.642 20 5 EFBDRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000957476119 1291620930 /nfs/dbraw/zinc/62/09/30/1291620930.db2.gz NXNTZAZZEDBWPC-UHFFFAOYSA-N 1 0 337.445 2.881 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878326871 1291626399 /nfs/dbraw/zinc/62/63/99/1291626399.db2.gz BCVJRLKRVVQSPI-STQMWFEESA-N 1 0 345.403 2.559 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H]2[C@@H]2CCCO2)o1 ZINC000878573813 1291720763 /nfs/dbraw/zinc/72/07/63/1291720763.db2.gz WFXYKHSYWMIXMX-CABCVRRESA-N 1 0 344.371 2.788 20 5 EFBDRO C[NH2+]Cc1cccc(Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)c1 ZINC001167033935 1312886022 /nfs/dbraw/zinc/88/60/22/1312886022.db2.gz WJJNTCDNYKIQMZ-BQYQJAHWSA-N 1 0 327.388 2.985 20 5 EFBDRO C[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000796114436 1291984949 /nfs/dbraw/zinc/98/49/49/1291984949.db2.gz RSKIYBUZVFCPHO-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO COc1cccc([C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879524902 1292171949 /nfs/dbraw/zinc/17/19/49/1292171949.db2.gz DYCWRGVBBHWJAA-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529875 1292174289 /nfs/dbraw/zinc/17/42/89/1292174289.db2.gz YRPOMOOVXDUXDW-MCIONIFRSA-N 1 0 345.399 2.828 20 5 EFBDRO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879709564 1292239095 /nfs/dbraw/zinc/23/90/95/1292239095.db2.gz IJZHCDWDSWCNSO-UHFFFAOYSA-N 1 0 328.796 2.876 20 5 EFBDRO Cc1cc(NC[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001114809375 1292301854 /nfs/dbraw/zinc/30/18/54/1292301854.db2.gz ZKJPXQHLAACXBX-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO COc1ccc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000775411343 1292314754 /nfs/dbraw/zinc/31/47/54/1292314754.db2.gz NWZALBSMZBWTFG-QGZVFWFLSA-N 1 0 328.368 2.916 20 5 EFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000880042467 1292343321 /nfs/dbraw/zinc/34/33/21/1292343321.db2.gz AUUDWYQCJOCXNJ-CYBMUJFWSA-N 1 0 336.388 2.769 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CF)C1 ZINC000880233913 1292421783 /nfs/dbraw/zinc/42/17/83/1292421783.db2.gz AQZORSRFIDLZSN-GFCCVEGCSA-N 1 0 339.367 2.614 20 5 EFBDRO O=[N+]([O-])c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001233573738 1312960222 /nfs/dbraw/zinc/96/02/22/1312960222.db2.gz BPRZFQORMTUKCE-UHFFFAOYSA-N 1 0 344.327 2.946 20 5 EFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001233598055 1312964297 /nfs/dbraw/zinc/96/42/97/1312964297.db2.gz GIHFVZNZRZKKEU-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881802567 1293013370 /nfs/dbraw/zinc/01/33/70/1293013370.db2.gz CGPFTLIDFQTXLA-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc2ccc(Br)cc2n1 ZINC001233715250 1312977069 /nfs/dbraw/zinc/97/70/69/1312977069.db2.gz NWCBOEIMFWFLGP-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO O=[N+]([O-])c1c(F)nccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000882155621 1293113924 /nfs/dbraw/zinc/11/39/24/1293113924.db2.gz IQDTZXRCGZZVMF-UHFFFAOYSA-N 1 0 331.351 2.852 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(F)cc(Br)c3[N+](=O)[O-])C[C@@H]21 ZINC000882422565 1293197460 /nfs/dbraw/zinc/19/74/60/1293197460.db2.gz VJAMFSQXJYZXHU-PELKAZGASA-N 1 0 344.184 2.637 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC001233752271 1312984025 /nfs/dbraw/zinc/98/40/25/1312984025.db2.gz CEHYFZBNCKHSOP-TXEJJXNPSA-N 1 0 342.342 2.895 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882444807 1293204042 /nfs/dbraw/zinc/20/40/42/1293204042.db2.gz WBDILGXCVRTYOT-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882540427 1293239383 /nfs/dbraw/zinc/23/93/83/1293239383.db2.gz PQLQGSJPZPWJAK-LBPRGKRZSA-N 1 0 339.823 2.938 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882618650 1293266998 /nfs/dbraw/zinc/26/69/98/1293266998.db2.gz XXPPUYNJZYJKQY-OAHLLOKOSA-N 1 0 344.390 2.882 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882651122 1293278164 /nfs/dbraw/zinc/27/81/64/1293278164.db2.gz AZQLUABIFDWZDY-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882724698 1293297503 /nfs/dbraw/zinc/29/75/03/1293297503.db2.gz AIDJVZVPHGDJMP-CQSZACIVSA-N 1 0 339.823 2.986 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726406 1293298257 /nfs/dbraw/zinc/29/82/57/1293298257.db2.gz SXMJCHUSOCZXLN-HNNXBMFYSA-N 1 0 347.415 2.535 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000130636063 1293412123 /nfs/dbraw/zinc/41/21/23/1293412123.db2.gz BGGSSKSJMYBLMG-GWCFXTLKSA-N 1 0 336.344 2.504 20 5 EFBDRO O=[N+]([O-])c1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001233856778 1313006256 /nfs/dbraw/zinc/00/62/56/1313006256.db2.gz GXLYQCGWYDFSPS-KRWDZBQOSA-N 1 0 343.383 2.660 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351936622 1313010144 /nfs/dbraw/zinc/01/01/44/1313010144.db2.gz MIGSKJIZJPRRFE-KDOFPFPSSA-N 1 0 349.431 2.571 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000133270479 1293825048 /nfs/dbraw/zinc/82/50/48/1293825048.db2.gz MUZOCGMTSFXMEU-UHFFFAOYSA-N 1 0 325.384 2.894 20 5 EFBDRO COc1cc(C(=O)OCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000800212530 1293959678 /nfs/dbraw/zinc/95/96/78/1293959678.db2.gz JPGVEMRDTQURQX-UHFFFAOYSA-N 1 0 336.388 2.945 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccnc4c3ccc3cccnc34)[C@H]1CC(=O)C2 ZINC001234087350 1313054490 /nfs/dbraw/zinc/05/44/90/1313054490.db2.gz NRDFKKJRBXOEHM-XCRHUMRWSA-N 1 0 333.391 2.966 20 5 EFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967346 1294596015 /nfs/dbraw/zinc/59/60/15/1294596015.db2.gz MNISESHJEOZXQO-HIFRSBDPSA-N 1 0 334.420 2.507 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000885972830 1294598656 /nfs/dbraw/zinc/59/86/56/1294598656.db2.gz LQICHQDLCGQGSA-INIZCTEOSA-N 1 0 332.448 2.934 20 5 EFBDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136869154 1294691988 /nfs/dbraw/zinc/69/19/88/1294691988.db2.gz JZEDEJZJKTYCEQ-SFHVURJKSA-N 1 0 330.384 2.947 20 5 EFBDRO CN(Cc1cccnc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886238474 1294782731 /nfs/dbraw/zinc/78/27/31/1294782731.db2.gz APYJTSZOFWMCNT-UHFFFAOYSA-N 1 0 346.353 2.838 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](CC)CC2)c1 ZINC001234408003 1313121790 /nfs/dbraw/zinc/12/17/90/1313121790.db2.gz IVDOAHCQMRMYQK-UHFFFAOYSA-N 1 0 336.388 2.564 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000886600092 1295045841 /nfs/dbraw/zinc/04/58/41/1295045841.db2.gz MNYZOJNKGBWNLC-OKZBNKHCSA-N 1 0 345.443 2.887 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](CC)C2)c1 ZINC001234409479 1313122197 /nfs/dbraw/zinc/12/21/97/1313122197.db2.gz AJBGLMPOROAWRI-AWEZNQCLSA-N 1 0 336.388 2.564 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234425653 1313126051 /nfs/dbraw/zinc/12/60/51/1313126051.db2.gz XQNNSMWRFOBEHG-LBPRGKRZSA-N 1 0 330.388 2.555 20 5 EFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000887131496 1295286479 /nfs/dbraw/zinc/28/64/79/1295286479.db2.gz ZBZSOYRDTCOLRS-OAHLLOKOSA-N 1 0 342.399 2.579 20 5 EFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000903750278 1313160837 /nfs/dbraw/zinc/16/08/37/1313160837.db2.gz WTCJILDPEIVFOU-UHFFFAOYSA-N 1 0 328.210 2.671 20 5 EFBDRO C[NH+]1CCC(Oc2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)nc2)CC1 ZINC001199828893 1295766153 /nfs/dbraw/zinc/76/61/53/1295766153.db2.gz XTRWMIVKUIYMNN-UHFFFAOYSA-N 1 0 344.371 2.912 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001234710077 1313184747 /nfs/dbraw/zinc/18/47/47/1313184747.db2.gz GKBLOUNGIBZZQJ-CYBMUJFWSA-N 1 0 336.415 2.912 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C1 ZINC001234709473 1313184826 /nfs/dbraw/zinc/18/48/26/1313184826.db2.gz ATOHBESLPVIIKL-CYBMUJFWSA-N 1 0 333.391 2.912 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889838100 1295843998 /nfs/dbraw/zinc/84/39/98/1295843998.db2.gz ATELMNBZRGWTNT-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO COc1c(O[C@H]2CC[N@H+](C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234718461 1313186050 /nfs/dbraw/zinc/18/60/50/1313186050.db2.gz LXMQJNZLMYSNMK-LBPRGKRZSA-N 1 0 349.390 2.530 20 5 EFBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001201222376 1296669812 /nfs/dbraw/zinc/66/98/12/1296669812.db2.gz MGHFXJQKLMLZSC-UHFFFAOYSA-N 1 0 346.362 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000776158018 1296752872 /nfs/dbraw/zinc/75/28/72/1296752872.db2.gz ROXJQOAFNSLDSE-HZMVEIRTSA-N 1 0 332.400 2.566 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930103978 1297233196 /nfs/dbraw/zinc/23/31/96/1297233196.db2.gz KDEWQEHPBRQWQU-SJORKVTESA-N 1 0 331.416 2.691 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930630724 1297279941 /nfs/dbraw/zinc/27/99/41/1297279941.db2.gz GZRXVAMZSSZZOR-RYUDHWBXSA-N 1 0 329.194 2.606 20 5 EFBDRO NC(=O)[C@H]([NH3+])CCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001205871729 1313368856 /nfs/dbraw/zinc/36/88/56/1313368856.db2.gz YOJMAAWWXVSVQJ-QGZVFWFLSA-N 1 0 346.390 2.788 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000777962426 1297315910 /nfs/dbraw/zinc/31/59/10/1297315910.db2.gz DTUQLHDFRMLBKO-QGZVFWFLSA-N 1 0 328.372 2.528 20 5 EFBDRO CC1CCC([NH+]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776275882 1297340187 /nfs/dbraw/zinc/34/01/87/1297340187.db2.gz IDKVOAWBCXWMRQ-KVWWFHCMSA-N 1 0 347.459 2.825 20 5 EFBDRO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932047148 1297393727 /nfs/dbraw/zinc/39/37/27/1297393727.db2.gz WLGROKDADLUJDP-SJORKVTESA-N 1 0 331.416 2.689 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778284381 1297591422 /nfs/dbraw/zinc/59/14/22/1297591422.db2.gz STWLJSHAYRJAIR-CYBMUJFWSA-N 1 0 341.358 2.677 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC(F)(F)C1 ZINC001206139662 1313410394 /nfs/dbraw/zinc/41/03/94/1313410394.db2.gz MXUDTNYOSFWCPF-AWEZNQCLSA-N 1 0 328.366 2.951 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccccc3[N+](=O)[O-])cc2CO)CC1 ZINC001206164077 1313413467 /nfs/dbraw/zinc/41/34/67/1313413467.db2.gz BQNZMTGQHMZXKJ-UHFFFAOYSA-N 1 0 342.399 2.583 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1N ZINC001236350327 1313473301 /nfs/dbraw/zinc/47/33/01/1313473301.db2.gz RSLZUCBAKRMVNU-WOJBJXKFSA-N 1 0 334.419 2.925 20 5 EFBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796401069 1299166160 /nfs/dbraw/zinc/16/61/60/1299166160.db2.gz CJBOBRDUUOEBQE-GZMMTYOYSA-N 1 0 329.809 2.528 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000851833083 1299423174 /nfs/dbraw/zinc/42/31/74/1299423174.db2.gz FWSKCWRAIJUFCT-RHSMWYFYSA-N 1 0 331.372 2.979 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000776581597 1299631823 /nfs/dbraw/zinc/63/18/23/1299631823.db2.gz KVKTXYKEIFJMIN-ZWKOTPCHSA-N 1 0 333.432 2.579 20 5 EFBDRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590516 1299675448 /nfs/dbraw/zinc/67/54/48/1299675448.db2.gz HBQMFAVBIMGYSY-RBUKOAKNSA-N 1 0 344.411 2.901 20 5 EFBDRO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590518 1299675859 /nfs/dbraw/zinc/67/58/59/1299675859.db2.gz HBQMFAVBIMGYSY-RTBURBONSA-N 1 0 344.411 2.901 20 5 EFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606385 1299751710 /nfs/dbraw/zinc/75/17/10/1299751710.db2.gz WMNLOSVPBPOJKO-GOSISDBHSA-N 1 0 344.411 2.901 20 5 EFBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605353 1299760511 /nfs/dbraw/zinc/76/05/11/1299760511.db2.gz KSAYAQMPTRRRMU-BEFAXECRSA-N 1 0 344.411 2.901 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853135146 1300020767 /nfs/dbraw/zinc/02/07/67/1300020767.db2.gz ZZIHPXRVZUDPJX-AWEZNQCLSA-N 1 0 341.289 2.832 20 5 EFBDRO CCC(CC)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000853133501 1300020817 /nfs/dbraw/zinc/02/08/17/1300020817.db2.gz DJRDEFWNXJKQRM-KRWDZBQOSA-N 1 0 336.436 2.726 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000853232330 1300057858 /nfs/dbraw/zinc/05/78/58/1300057858.db2.gz ZQTMLFXJRBUPLN-SECBINFHSA-N 1 0 339.779 2.683 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000853266310 1300074047 /nfs/dbraw/zinc/07/40/47/1300074047.db2.gz APCWETVRNFAVBA-DZGCQCFKSA-N 1 0 341.358 2.568 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000853266312 1300074356 /nfs/dbraw/zinc/07/43/56/1300074356.db2.gz APCWETVRNFAVBA-UKRRQHHQSA-N 1 0 341.358 2.568 20 5 EFBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1Cc2ccccc2C1 ZINC000853491009 1300133895 /nfs/dbraw/zinc/13/38/95/1300133895.db2.gz JOWOUNABMUPMRI-UHFFFAOYSA-N 1 0 349.394 2.910 20 5 EFBDRO O=[N+]([O-])c1cn(C[NH+]2CCc3ccccc3CC2)nc1-c1ccccn1 ZINC000853498591 1300138309 /nfs/dbraw/zinc/13/83/09/1300138309.db2.gz LUQOYLQEJUSUEX-UHFFFAOYSA-N 1 0 349.394 2.912 20 5 EFBDRO Cc1noc(COC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000853915929 1300338323 /nfs/dbraw/zinc/33/83/23/1300338323.db2.gz NAFVJATXRKIJEE-UHFFFAOYSA-N 1 0 345.355 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c2nonc21 ZINC000853999604 1300383587 /nfs/dbraw/zinc/38/35/87/1300383587.db2.gz MQTZPEIZMSBRPC-GFCCVEGCSA-N 1 0 331.376 2.665 20 5 EFBDRO Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000854497811 1300592613 /nfs/dbraw/zinc/59/26/13/1300592613.db2.gz ZNQDBFJNCKIPFY-LBPRGKRZSA-N 1 0 332.404 2.770 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC000854736082 1300682841 /nfs/dbraw/zinc/68/28/41/1300682841.db2.gz BALYDPQOMHSOSB-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000245877729 1300800556 /nfs/dbraw/zinc/80/05/56/1300800556.db2.gz JAZRKKABXBQLDO-YPMHNXCESA-N 1 0 337.395 2.893 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2)C1CC1 ZINC000963455015 1300890307 /nfs/dbraw/zinc/89/03/07/1300890307.db2.gz FNSVETYDDFMJBG-UHFFFAOYSA-N 1 0 329.400 2.522 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000776810943 1300943596 /nfs/dbraw/zinc/94/35/96/1300943596.db2.gz IYXRWDCHHVQBBI-UKRRQHHQSA-N 1 0 335.404 2.941 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855732042 1301084224 /nfs/dbraw/zinc/08/42/24/1301084224.db2.gz IRYVOLRIVSTDNO-QGZVFWFLSA-N 1 0 347.459 2.597 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000795430997 1301339658 /nfs/dbraw/zinc/33/96/58/1301339658.db2.gz MGQQGQOTDPJYFQ-DYVFJYSZSA-N 1 0 328.368 2.911 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859583167 1301496625 /nfs/dbraw/zinc/49/66/25/1301496625.db2.gz BVKGGLWYLGSWEQ-IBGZPJMESA-N 1 0 342.395 2.957 20 5 EFBDRO CSc1cccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000777129394 1301624688 /nfs/dbraw/zinc/62/46/88/1301624688.db2.gz YMYWEEJIKCHEHB-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796468580 1302066129 /nfs/dbraw/zinc/06/61/29/1302066129.db2.gz YRYUVWWBPWFRFT-SFHVURJKSA-N 1 0 335.448 2.826 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000861834267 1302216180 /nfs/dbraw/zinc/21/61/80/1302216180.db2.gz OZFFHVKPXJMANH-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1ccc(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097053586 1313824943 /nfs/dbraw/zinc/82/49/43/1313824943.db2.gz UXNLXCXTFCKANA-SHTZXODSSA-N 1 0 348.447 2.694 20 5 EFBDRO CC[C@H]1CC(=O)N(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000119366273 1302573898 /nfs/dbraw/zinc/57/38/98/1302573898.db2.gz ZLEXFCFEPUCPKT-AWEZNQCLSA-N 1 0 347.415 2.654 20 5 EFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+](CC1CC1)CC1CCC1 ZINC000794710152 1303023937 /nfs/dbraw/zinc/02/39/37/1303023937.db2.gz JEYZUSOFXHOZEL-UHFFFAOYSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000864877100 1303068076 /nfs/dbraw/zinc/06/80/76/1303068076.db2.gz JNILDSDJTLDQMH-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864945706 1303094334 /nfs/dbraw/zinc/09/43/34/1303094334.db2.gz NHSWPGPSHDRAGX-UHFFFAOYSA-N 1 0 337.395 2.656 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865586129 1303322420 /nfs/dbraw/zinc/32/24/20/1303322420.db2.gz ZTMMVOKPHNXNJR-UHFFFAOYSA-N 1 0 342.390 2.970 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865644878 1303347976 /nfs/dbraw/zinc/34/79/76/1303347976.db2.gz XKPMXOIBQOBGKZ-MRXNPFEDSA-N 1 0 331.347 2.825 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097205579 1313907437 /nfs/dbraw/zinc/90/74/37/1313907437.db2.gz IAJSSZPUFMHBCI-GASCZTMLSA-N 1 0 348.447 2.694 20 5 EFBDRO CCN(CCC[NH+](CC)CC)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865718605 1303378166 /nfs/dbraw/zinc/37/81/66/1303378166.db2.gz JTXOLYACGVBRJD-UHFFFAOYSA-N 1 0 327.400 2.784 20 5 EFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC000865843980 1303425538 /nfs/dbraw/zinc/42/55/38/1303425538.db2.gz WXVCWCGQDXFLGS-UHFFFAOYSA-N 1 0 339.395 2.824 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865847669 1303427458 /nfs/dbraw/zinc/42/74/58/1303427458.db2.gz BNGOOSFQIOLGNN-UHFFFAOYSA-N 1 0 343.374 2.862 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000866021607 1303491531 /nfs/dbraw/zinc/49/15/31/1303491531.db2.gz ZNVIWJOQVXQYQS-JSGCOSHPSA-N 1 0 337.395 2.608 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000866218900 1303568405 /nfs/dbraw/zinc/56/84/05/1303568405.db2.gz AVDCZYOYDYRZEV-CJNGLKHVSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)OC(C)(C)C ZINC000866251605 1303580525 /nfs/dbraw/zinc/58/05/25/1303580525.db2.gz PDKNZLZQPDOJRH-NSHDSACASA-N 1 0 341.383 2.779 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000866380875 1303617823 /nfs/dbraw/zinc/61/78/23/1303617823.db2.gz LUAFLQLKUUMANT-FZMZJTMJSA-N 1 0 337.395 2.654 20 5 EFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705522 1303760536 /nfs/dbraw/zinc/76/05/36/1303760536.db2.gz BKNQNVFFYVYURQ-QGZVFWFLSA-N 1 0 332.404 2.933 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000866717432 1303765354 /nfs/dbraw/zinc/76/53/54/1303765354.db2.gz FFYXREZKYJGCEF-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867706947 1303917287 /nfs/dbraw/zinc/91/72/87/1303917287.db2.gz KIPQNHNBTRUFDH-UHFFFAOYSA-N 1 0 339.411 2.857 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867841779 1303982363 /nfs/dbraw/zinc/98/23/63/1303982363.db2.gz PVNRPPVQIJDWHU-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO Cc1ccc(C[C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867944830 1304032564 /nfs/dbraw/zinc/03/25/64/1304032564.db2.gz JKIVYXBJDILDPB-GTNSWQLSSA-N 1 0 347.440 2.886 20 5 EFBDRO Cc1cccc([C@H](C)CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867948070 1304035010 /nfs/dbraw/zinc/03/50/10/1304035010.db2.gz XOYHRASALGNCMZ-KUHUBIRLSA-N 1 0 341.411 2.997 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867947883 1304035270 /nfs/dbraw/zinc/03/52/70/1304035270.db2.gz MGMMTIMQYIWHLZ-LSBZLQRGSA-N 1 0 339.395 2.516 20 5 EFBDRO Cc1cccc2c1CC[C@H]2NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951819 1304039442 /nfs/dbraw/zinc/03/94/42/1304039442.db2.gz QXQONRKDQRAUPU-IEBWSBKVSA-N 1 0 339.395 2.881 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000868119086 1304136738 /nfs/dbraw/zinc/13/67/38/1304136738.db2.gz JEMKBOMTEFWZQS-JGPRNRPPSA-N 1 0 338.795 2.900 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000869312436 1304712987 /nfs/dbraw/zinc/71/29/87/1304712987.db2.gz OIBWSNRJKTUPTA-UHFFFAOYSA-N 1 0 349.406 2.515 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000870951874 1305704960 /nfs/dbraw/zinc/70/49/60/1305704960.db2.gz HLEFWZGKWNNYDS-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO CNc1c(C(=O)NCCC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000870954836 1305707121 /nfs/dbraw/zinc/70/71/21/1305707121.db2.gz PAPOJUWKFXDIFU-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000870959160 1305712013 /nfs/dbraw/zinc/71/20/13/1305712013.db2.gz VUUIMBSOFSIESC-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870963206 1305714469 /nfs/dbraw/zinc/71/44/69/1305714469.db2.gz VUZJTJWDDZSSRI-GUYCJALGSA-N 1 0 327.384 2.856 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000870975803 1305722068 /nfs/dbraw/zinc/72/20/68/1305722068.db2.gz CYDUQPZXCQTNOM-LMKPVCQUSA-N 1 0 329.356 2.601 20 5 EFBDRO Cc1cc(O[C@@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218239690 1315169762 /nfs/dbraw/zinc/16/97/62/1315169762.db2.gz IHWYRDLLFOWMRY-GFCCVEGCSA-N 1 0 327.178 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218470520 1315201007 /nfs/dbraw/zinc/20/10/07/1315201007.db2.gz COONIFKODBHSBP-PTOFAABTSA-N 1 0 327.178 2.734 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900216229 1307784599 /nfs/dbraw/zinc/78/45/99/1307784599.db2.gz SRAQGACLPLWDIA-NEPJUHHUSA-N 1 0 341.770 2.744 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900240478 1307809340 /nfs/dbraw/zinc/80/93/40/1307809340.db2.gz LDAWXHXCXBNKHP-MNOVXSKESA-N 1 0 341.770 2.744 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900240479 1307809721 /nfs/dbraw/zinc/80/97/21/1307809721.db2.gz LDAWXHXCXBNKHP-QWRGUYRKSA-N 1 0 341.770 2.744 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000900273215 1307855383 /nfs/dbraw/zinc/85/53/83/1307855383.db2.gz UWZCYDSSAXHDCX-SNVBAGLBSA-N 1 0 343.786 2.849 20 5 EFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900306826 1307930452 /nfs/dbraw/zinc/93/04/52/1307930452.db2.gz BBSAHXSBFJNPEH-SECBINFHSA-N 1 0 341.770 2.601 20 5 EFBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000800493291 1307965233 /nfs/dbraw/zinc/96/52/33/1307965233.db2.gz KYELATYSCMRSQT-UHFFFAOYSA-N 1 0 333.432 2.970 20 5 EFBDRO COc1ccc(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)cc1[N+](=O)[O-] ZINC000900533154 1308270545 /nfs/dbraw/zinc/27/05/45/1308270545.db2.gz XBLOUSHSEUFPLY-UHFFFAOYSA-N 1 0 347.419 2.862 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900564393 1308322663 /nfs/dbraw/zinc/32/26/63/1308322663.db2.gz VIVZEKFINYYSDE-NSHDSACASA-N 1 0 343.786 2.944 20 5 EFBDRO CC(C)[NH+](Cc1cn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000900580159 1308348832 /nfs/dbraw/zinc/34/88/32/1308348832.db2.gz FSBHRWUMVMNMRQ-QGZVFWFLSA-N 1 0 347.419 2.539 20 5 EFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000900653834 1308479627 /nfs/dbraw/zinc/47/96/27/1308479627.db2.gz PLJURJRGRAEACX-CXAGYDPISA-N 1 0 349.431 2.565 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900819517 1308726679 /nfs/dbraw/zinc/72/66/79/1308726679.db2.gz JHUKTDHSWLLZSN-BXKDBHETSA-N 1 0 343.786 2.800 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000901271354 1310018768 /nfs/dbraw/zinc/01/87/68/1310018768.db2.gz MMLVPWKJPPGDJV-UWVGGRQHSA-N 1 0 343.786 2.942 20 5 EFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CCOC ZINC000801526477 1310466167 /nfs/dbraw/zinc/46/61/67/1310466167.db2.gz QXOOSUXEMRDHRT-HNNXBMFYSA-N 1 0 339.411 2.667 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000750171970 1311051198 /nfs/dbraw/zinc/05/11/98/1311051198.db2.gz SKBIVQWKXHNDAF-HNNXBMFYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222243016 1311104004 /nfs/dbraw/zinc/10/40/04/1311104004.db2.gz OHMVWVYMFAVDLU-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000752936018 1311162042 /nfs/dbraw/zinc/16/20/42/1311162042.db2.gz XFTKHPTXYHLJBW-ZDUSSCGKSA-N 1 0 336.436 2.511 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000752936005 1311162236 /nfs/dbraw/zinc/16/22/36/1311162236.db2.gz WZSRVJMEZPSTSP-LBPRGKRZSA-N 1 0 325.384 2.893 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001222931372 1311200371 /nfs/dbraw/zinc/20/03/71/1311200371.db2.gz IBLWEUHOQCBIAC-PBKGOJFUSA-N 1 0 331.372 2.983 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1Cc1ccccc1 ZINC001223163690 1311225438 /nfs/dbraw/zinc/22/54/38/1311225438.db2.gz AQZDWQGRGUQAHD-HXUWFJFHSA-N 1 0 342.459 2.778 20 5 EFBDRO COC(=O)c1c(CO[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223294419 1311238984 /nfs/dbraw/zinc/23/89/84/1311238984.db2.gz KYQUWJPSMSOPMF-CQSZACIVSA-N 1 0 336.388 2.771 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(c1ccccc1)c1ccccc1 ZINC001223320174 1311243444 /nfs/dbraw/zinc/24/34/44/1311243444.db2.gz HRKRTXCPNYGHBF-GOSISDBHSA-N 1 0 328.432 2.776 20 5 EFBDRO COC(=O)c1ccc(CO[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223415341 1311257805 /nfs/dbraw/zinc/25/78/05/1311257805.db2.gz ZLSYZNJNRQUGCT-HNNXBMFYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CC[NH+](C(C)C)CC1 ZINC001223448355 1311261981 /nfs/dbraw/zinc/26/19/81/1311261981.db2.gz KMUJZPQKPWIKBM-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001101829937 1311264654 /nfs/dbraw/zinc/26/46/54/1311264654.db2.gz FOJPCJYWSKXTQI-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO COC(=O)[C@H](OC1CC[NH+](C(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644712 1311285955 /nfs/dbraw/zinc/28/59/55/1311285955.db2.gz WZQSSHFPAPDLEP-MRXNPFEDSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001223690747 1311292727 /nfs/dbraw/zinc/29/27/27/1311292727.db2.gz NSEFSDWZTRCIAY-XOIINTDNSA-N 1 0 348.399 2.628 20 5 EFBDRO COCCC[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001223945077 1311324797 /nfs/dbraw/zinc/32/47/97/1311324797.db2.gz ABGNXCLGOJEVDX-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223962623 1311326147 /nfs/dbraw/zinc/32/61/47/1311326147.db2.gz JJGPAGBMRIBPFD-ZSHCYNCHSA-N 1 0 348.399 2.913 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001224027129 1311333795 /nfs/dbraw/zinc/33/37/95/1311333795.db2.gz UPNDIMWPXFHSEF-QBFPWWHVSA-N 1 0 348.399 2.839 20 5 EFBDRO C[N@H+](C1CN(c2ccc3ccc4cccnc4c3n2)C1)[C@H]1CCOC1 ZINC001158731710 1311375589 /nfs/dbraw/zinc/37/55/89/1311375589.db2.gz VMCYYFRKTOENRH-INIZCTEOSA-N 1 0 334.423 2.692 20 5 EFBDRO COc1nc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ncc1[N+](=O)[O-] ZINC001158730363 1311375699 /nfs/dbraw/zinc/37/56/99/1311375699.db2.gz SLMDHHIRYHPOGG-LBPRGKRZSA-N 1 0 329.360 2.634 20 5 EFBDRO Cc1cc(NC(C)(C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158760437 1311381758 /nfs/dbraw/zinc/38/17/58/1311381758.db2.gz WHIVKJWEMYBRAS-UHFFFAOYSA-N 1 0 343.431 2.924 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H](OCCC[N+](C)(C)C)[C@@H](F)C1 ZINC001224617985 1311414178 /nfs/dbraw/zinc/41/41/78/1311414178.db2.gz BCZUYACNQFRUEN-GJZGRUSLSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621033 1311414609 /nfs/dbraw/zinc/41/46/09/1311414609.db2.gz ITCVIKIYYNZQDD-OAHLLOKOSA-N 1 0 327.489 2.889 20 5 EFBDRO CCCCOC(=O)C[C@H](OCCC[N+](C)(C)C)C(=O)OCCCC ZINC001224623680 1311415028 /nfs/dbraw/zinc/41/50/28/1311415028.db2.gz PRPQKDOEJBFMOR-INIZCTEOSA-N 1 0 346.488 2.545 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H](OCCC[N+](C)(C)C)CC(F)(F)C1 ZINC001224623655 1311415287 /nfs/dbraw/zinc/41/52/87/1311415287.db2.gz PDBKFHGGXKCACL-CYBMUJFWSA-N 1 0 337.431 2.744 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001158927687 1311418754 /nfs/dbraw/zinc/41/87/54/1311418754.db2.gz QUJIXGJAAYPWJP-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1[N+](=O)[O-] ZINC001159007219 1311432425 /nfs/dbraw/zinc/43/24/25/1311432425.db2.gz CIBBLIUHCHOTGD-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO Cc1cnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c([N+](=O)[O-])c1 ZINC001159010760 1311433453 /nfs/dbraw/zinc/43/34/53/1311433453.db2.gz YZKLDFGFEPERJZ-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO Cc1cc(N2CC3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159025197 1311435807 /nfs/dbraw/zinc/43/58/07/1311435807.db2.gz MSIGWNLBGANTOZ-UHFFFAOYSA-N 1 0 339.399 2.550 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3ccc4ccc5cccnc5c4n3)c2c1 ZINC001159026958 1311436143 /nfs/dbraw/zinc/43/61/43/1311436143.db2.gz UFJPOCZFTHKEDD-UHFFFAOYSA-N 1 0 326.363 2.976 20 5 EFBDRO Cc1ccc(-c2ccc(N3CC4(C3)CCC[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001159025489 1311436412 /nfs/dbraw/zinc/43/64/12/1311436412.db2.gz QQABZZAIWRMWHM-UHFFFAOYSA-N 1 0 339.399 2.550 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224990266 1311460948 /nfs/dbraw/zinc/46/09/48/1311460948.db2.gz WCWDYQREZDSTED-MRXNPFEDSA-N 1 0 336.388 2.527 20 5 EFBDRO O=[N+]([O-])c1cc(Nc2cccnc2OCC2CC[NH2+]CC2)ccc1O ZINC001159295510 1311488419 /nfs/dbraw/zinc/48/84/19/1311488419.db2.gz XFSIRCRMEJSJLZ-UHFFFAOYSA-N 1 0 344.371 2.817 20 5 EFBDRO Nc1cccnc1N(CC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1F ZINC001159333553 1311497028 /nfs/dbraw/zinc/49/70/28/1311497028.db2.gz IJPFANIOTWQKME-UHFFFAOYSA-N 1 0 345.378 2.849 20 5 EFBDRO CCc1ncsc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001159447169 1311518228 /nfs/dbraw/zinc/51/82/28/1311518228.db2.gz RGKGZRPXLGTYQT-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC001159539407 1311536853 /nfs/dbraw/zinc/53/68/53/1311536853.db2.gz LNTGIABWSQAPPE-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO Cc1ccc(Nc2ccccc2C(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159553901 1311540722 /nfs/dbraw/zinc/54/07/22/1311540722.db2.gz UMMVYXPZDGIKMF-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159567770 1311542591 /nfs/dbraw/zinc/54/25/91/1311542591.db2.gz MHQHUFFHVYOIKI-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159567825 1311542718 /nfs/dbraw/zinc/54/27/18/1311542718.db2.gz OUORDXBKIOVBMC-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO O=[N+]([O-])c1cccnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225594143 1311549608 /nfs/dbraw/zinc/54/96/08/1311549608.db2.gz CWXHAIRFGLBNOW-INIZCTEOSA-N 1 0 343.383 2.660 20 5 EFBDRO O=[N+]([O-])c1ncccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225629534 1311556479 /nfs/dbraw/zinc/55/64/79/1311556479.db2.gz OPWOJIUVDYGDDS-MRXNPFEDSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667693 1311562753 /nfs/dbraw/zinc/56/27/53/1311562753.db2.gz WUQXLADZOUYTQP-CZUORRHYSA-N 1 0 343.383 2.985 20 5 EFBDRO CCOC(=O)c1cc(Nc2ccc(OCC[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001159686984 1311565148 /nfs/dbraw/zinc/56/51/48/1311565148.db2.gz SMLJGDZRQBYUOB-UHFFFAOYSA-N 1 0 345.355 2.853 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225780268 1311576018 /nfs/dbraw/zinc/57/60/18/1311576018.db2.gz XGKWJBYYQXSHBK-HAQNSBGRSA-N 1 0 342.342 2.895 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CC[NH2+]CC1 ZINC001159814879 1311589391 /nfs/dbraw/zinc/58/93/91/1311589391.db2.gz WIOVPZVYTUDLFU-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3c(F)c(F)ccc3[N+](=O)[O-])O2)CC1 ZINC001225961678 1311595564 /nfs/dbraw/zinc/59/55/64/1311595564.db2.gz YLNFIBJOLLOOSF-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO Nc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001159858611 1311598271 /nfs/dbraw/zinc/59/82/71/1311598271.db2.gz JGFLYXFRKXHKRC-UHFFFAOYSA-N 1 0 347.806 2.984 20 5 EFBDRO COc1ncc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159950057 1311614986 /nfs/dbraw/zinc/61/49/86/1311614986.db2.gz UWSWGOCDSZOPLD-OAHLLOKOSA-N 1 0 344.371 2.873 20 5 EFBDRO COc1cnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159947602 1311615041 /nfs/dbraw/zinc/61/50/41/1311615041.db2.gz NYGDEIAVZRCGJA-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC001159969390 1311619456 /nfs/dbraw/zinc/61/94/56/1311619456.db2.gz WOUUPDCXWSDJKT-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO Cc1c(Nc2cccc(N3CC([NH3+])C3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159988606 1311623670 /nfs/dbraw/zinc/62/36/70/1311623670.db2.gz AJMRGUJCFWDIKR-UHFFFAOYSA-N 1 0 343.343 2.702 20 5 EFBDRO Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159994711 1311625794 /nfs/dbraw/zinc/62/57/94/1311625794.db2.gz SCGARARJVKUVCP-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO Cc1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160012379 1311628197 /nfs/dbraw/zinc/62/81/97/1311628197.db2.gz MCOJSMIOGPWDJO-UHFFFAOYSA-N 1 0 328.372 2.762 20 5 EFBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccccc1C ZINC001160038808 1311631927 /nfs/dbraw/zinc/63/19/27/1311631927.db2.gz NLSLNXJPAJCIAU-CQSZACIVSA-N 1 0 327.388 2.943 20 5 EFBDRO CCc1cccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001160042089 1311632721 /nfs/dbraw/zinc/63/27/21/1311632721.db2.gz UWJQEHPTKQOXEK-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO COc1cc(Br)c(O[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001226281053 1311641856 /nfs/dbraw/zinc/64/18/56/1311641856.db2.gz ITPOQXIVFSATEX-SECBINFHSA-N 1 0 345.193 2.839 20 5 EFBDRO CN1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]1CC(=O)C2 ZINC001226311422 1311646595 /nfs/dbraw/zinc/64/65/95/1311646595.db2.gz QXUJXQXCXZXKDA-MRCXROJRSA-N 1 0 344.289 2.797 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160141547 1311653181 /nfs/dbraw/zinc/65/31/81/1311653181.db2.gz FMNGEIKBNZABFG-CYBMUJFWSA-N 1 0 332.335 2.922 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001160151762 1311655693 /nfs/dbraw/zinc/65/56/93/1311655693.db2.gz YXBGHZWGNYTDFW-LURJTMIESA-N 1 0 339.705 2.611 20 5 EFBDRO Cc1cc(Cl)nc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160200692 1311663466 /nfs/dbraw/zinc/66/34/66/1311663466.db2.gz SCPRMZNYBWMRJN-JTQLQIEISA-N 1 0 334.763 2.809 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c4ccccc34)[C@H]1CC(=O)C2 ZINC001226508963 1311679302 /nfs/dbraw/zinc/67/93/02/1311679302.db2.gz IKXAGMKPRPXGPX-LIXBPZJASA-N 1 0 326.352 2.931 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2CN2CC[NH2+]CC2)c1 ZINC001160296967 1311683731 /nfs/dbraw/zinc/68/37/31/1311683731.db2.gz PCIDOMONBPPGTD-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC001226530654 1311683873 /nfs/dbraw/zinc/68/38/73/1311683873.db2.gz IONUVWVMYGVJMP-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO [NH3+]Cc1ccc(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC001160402177 1311704005 /nfs/dbraw/zinc/70/40/05/1311704005.db2.gz MSDRUVUGPFBGTA-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO O=C(CCC1CC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226671975 1311705526 /nfs/dbraw/zinc/70/55/26/1311705526.db2.gz BKEVLXIZFITEIV-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711811 1311711168 /nfs/dbraw/zinc/71/11/68/1311711168.db2.gz GOPIWWDIPOMQII-UKRRQHHQSA-N 1 0 328.372 2.989 20 5 EFBDRO CN(C)/C=C/c1cc(-n2ccc3cccc(C[NH3+])c32)ncc1[N+](=O)[O-] ZINC001160461371 1311715027 /nfs/dbraw/zinc/71/50/27/1311715027.db2.gz ZGZPQLKXKZFESN-SOFGYWHQSA-N 1 0 337.383 2.925 20 5 EFBDRO Cc1nc(Cl)nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001160466006 1311716221 /nfs/dbraw/zinc/71/62/21/1311716221.db2.gz OMQJRNDXOAEUEQ-RTCCRHLQSA-N 1 0 325.800 2.774 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncnc3cc(F)c([N+](=O)[O-])cc31)C2 ZINC001226803609 1311726447 /nfs/dbraw/zinc/72/64/47/1311726447.db2.gz DHZAOYFHQQETIC-JGPRNRPPSA-N 1 0 332.335 2.681 20 5 EFBDRO CC(C)=C(F)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226884439 1311736437 /nfs/dbraw/zinc/73/64/37/1311736437.db2.gz REPJZAGQWYXETH-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC001226914888 1311739837 /nfs/dbraw/zinc/73/98/37/1311739837.db2.gz ABEVDMZCKIPVAP-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])n1 ZINC001160662871 1311754251 /nfs/dbraw/zinc/75/42/51/1311754251.db2.gz VFUHBZPSSPGOFF-NSHDSACASA-N 1 0 349.822 2.948 20 5 EFBDRO COc1nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC001160662371 1311754396 /nfs/dbraw/zinc/75/43/96/1311754396.db2.gz QHXCDQOQOADDRP-ZDUSSCGKSA-N 1 0 330.388 2.600 20 5 EFBDRO COCC[NH+]1CCC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227157449 1311769783 /nfs/dbraw/zinc/76/97/83/1311769783.db2.gz LKHAXYPZJGPAOH-UHFFFAOYSA-N 1 0 332.759 2.877 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160737574 1311771758 /nfs/dbraw/zinc/77/17/58/1311771758.db2.gz ITVNGWFALWLMDB-FQEVSTJZSA-N 1 0 333.435 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(NCC[NH+]3CCC(F)(F)CC3)nc2c1 ZINC001160747603 1311773401 /nfs/dbraw/zinc/77/34/01/1311773401.db2.gz KKCMEIAEAMNXGU-UHFFFAOYSA-N 1 0 337.330 2.681 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001227221647 1311778655 /nfs/dbraw/zinc/77/86/55/1311778655.db2.gz SHDRMAXHTRGQOP-FVGIMDHTSA-N 1 0 343.383 2.958 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3nc4c(cccc4[N+](=O)[O-])o3)O2)CC1 ZINC001227238698 1311781007 /nfs/dbraw/zinc/78/10/07/1311781007.db2.gz QGHLABLCGIMRFF-LBPRGKRZSA-N 1 0 347.371 2.758 20 5 EFBDRO O=[N+]([O-])c1nc(Br)ccc1OC1CCN(CCF)CC1 ZINC001227257387 1311783687 /nfs/dbraw/zinc/78/36/87/1311783687.db2.gz XQRACGSNWSCTGS-UHFFFAOYSA-N 1 0 348.172 2.565 20 5 EFBDRO CC(C)(C)N1CC(Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256161 1311783807 /nfs/dbraw/zinc/78/38/07/1311783807.db2.gz DBNGYTBTSLNIBU-UHFFFAOYSA-N 1 0 330.182 2.614 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306416 1311791749 /nfs/dbraw/zinc/79/17/49/1311791749.db2.gz JVOTXNJSMBNIBM-LLVKDONJSA-N 1 0 341.363 2.830 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(Cl)c([N+](=O)[O-])cc21 ZINC001227363845 1311797990 /nfs/dbraw/zinc/79/79/90/1311797990.db2.gz HFVUXBXTBVNZJR-SECBINFHSA-N 1 0 325.776 2.665 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1C[NH+]2CCC1CC2 ZINC001227365128 1311798404 /nfs/dbraw/zinc/79/84/04/1311798404.db2.gz ZPEVIICWHZDYFJ-CQSZACIVSA-N 1 0 334.763 2.664 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCc2ccccc2C[NH3+])n1 ZINC001160905868 1311807396 /nfs/dbraw/zinc/80/73/96/1311807396.db2.gz GZKUVGYSOLOJGH-UHFFFAOYSA-N 1 0 339.808 2.831 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227498183 1311813193 /nfs/dbraw/zinc/81/31/93/1311813193.db2.gz MIKPKQCRQPGVPU-SECBINFHSA-N 1 0 342.308 2.520 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001227545102 1311819387 /nfs/dbraw/zinc/81/93/87/1311819387.db2.gz VWTNSKQAOXAENI-JTQLQIEISA-N 1 0 328.390 2.695 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC001161026083 1311840969 /nfs/dbraw/zinc/84/09/69/1311840969.db2.gz UXRMNHWPOHYYEN-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902543329 1311855207 /nfs/dbraw/zinc/85/52/07/1311855207.db2.gz QRJNAFUAIRLHSJ-MRXNPFEDSA-N 1 0 331.420 2.564 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161101143 1311856815 /nfs/dbraw/zinc/85/68/15/1311856815.db2.gz MNRNCYAWHMANEE-UHFFFAOYSA-N 1 0 348.794 2.510 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001161118392 1311863091 /nfs/dbraw/zinc/86/30/91/1311863091.db2.gz GAMQDMWEGCJFRP-UHFFFAOYSA-N 1 0 334.420 2.790 20 5 EFBDRO Cc1ccccc1CC(C)(C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161452935 1311892997 /nfs/dbraw/zinc/89/29/97/1311892997.db2.gz YLCILYSJBLHAIJ-UHFFFAOYSA-N 1 0 341.415 2.813 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccnc(Cl)c3[N+](=O)[O-])O2)CC1 ZINC001228054812 1311895436 /nfs/dbraw/zinc/89/54/36/1311895436.db2.gz PDHABFIXESFMQH-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001161584400 1311922477 /nfs/dbraw/zinc/92/24/77/1311922477.db2.gz XOFMBTRBFTXAFI-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001228481805 1311954375 /nfs/dbraw/zinc/95/43/75/1311954375.db2.gz WUHCILXFEHTTQP-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO CCCCOC(=O)c1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(O)c1 ZINC001228491469 1311955233 /nfs/dbraw/zinc/95/52/33/1311955233.db2.gz ORRIRBOOGUVRIV-GFCCVEGCSA-O 1 0 326.413 2.528 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001161708460 1311956500 /nfs/dbraw/zinc/95/65/00/1311956500.db2.gz LCAZTFUINWOODN-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO C[NH+]1CCN(CCCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001161708937 1311957162 /nfs/dbraw/zinc/95/71/62/1311957162.db2.gz YPWQINHTPPXMKX-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228611002 1311969778 /nfs/dbraw/zinc/96/97/78/1311969778.db2.gz DXWMCISQWXPDNK-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC001228624370 1311971905 /nfs/dbraw/zinc/97/19/05/1311971905.db2.gz ZYZDPTWYHXNNFU-QMMMGPOBSA-N 1 0 333.206 2.534 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccncc3[N+](=O)[O-])n2)cc1 ZINC001213035888 1311972156 /nfs/dbraw/zinc/97/21/56/1311972156.db2.gz MDZADGVYTJYHKD-UHFFFAOYSA-N 1 0 325.328 2.768 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001228661264 1311977469 /nfs/dbraw/zinc/97/74/69/1311977469.db2.gz WJOGGKMIWBXFLA-ZMSDIMECSA-N 1 0 340.383 2.674 20 5 EFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820823 1311981536 /nfs/dbraw/zinc/98/15/36/1311981536.db2.gz PJTXVZZQGLBECB-KRWDZBQOSA-N 1 0 346.362 2.520 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228685095 1311981829 /nfs/dbraw/zinc/98/18/29/1311981829.db2.gz XCYADNXCZDWKNE-CQSZACIVSA-N 1 0 329.356 2.657 20 5 EFBDRO Nc1nc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161822638 1311981918 /nfs/dbraw/zinc/98/19/18/1311981918.db2.gz VNLYWJAAZFJIOL-INIZCTEOSA-N 1 0 345.378 2.864 20 5 EFBDRO Nc1cc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161822535 1311982260 /nfs/dbraw/zinc/98/22/60/1311982260.db2.gz USKMAYCETNWLQO-KRWDZBQOSA-N 1 0 345.378 2.864 20 5 EFBDRO Nc1cc(Nc2ccc(Br)cc2C[NH3+])ncc1[N+](=O)[O-] ZINC001161852216 1311986740 /nfs/dbraw/zinc/98/67/40/1311986740.db2.gz GDXJGMQXUSADPA-UHFFFAOYSA-N 1 0 338.165 2.537 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)n1 ZINC001161877421 1311992605 /nfs/dbraw/zinc/99/26/05/1311992605.db2.gz IJSULAPLEVBQNG-UHFFFAOYSA-N 1 0 325.731 2.583 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001161877278 1311992759 /nfs/dbraw/zinc/99/27/59/1311992759.db2.gz FRVOPKMNVHYUPH-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)nnc2ccccc21 ZINC001228760396 1311994204 /nfs/dbraw/zinc/99/42/04/1311994204.db2.gz MOVUFMGWMCEMMG-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO Nc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161886120 1311995721 /nfs/dbraw/zinc/99/57/21/1311995721.db2.gz RYNHSHDTSTUJFD-AWEZNQCLSA-N 1 0 327.388 2.649 20 5 EFBDRO O=C(C1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048640801 1311996045 /nfs/dbraw/zinc/99/60/45/1311996045.db2.gz KVDQNXWBIQQLJE-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803842 1312001878 /nfs/dbraw/zinc/00/18/78/1312001878.db2.gz NOHQUYPQQMUYFK-DRXBFXEBSA-N 1 0 344.367 2.810 20 5 EFBDRO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001228880911 1312014876 /nfs/dbraw/zinc/01/48/76/1312014876.db2.gz ZUVSSWKITSVKLK-KSSFIOAISA-N 1 0 343.383 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)nc1Cl ZINC001228934776 1312022626 /nfs/dbraw/zinc/02/26/26/1312022626.db2.gz UDNRTPWRLGAZEO-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO COc1cccc(C2(Nc3ncc([N+](=O)[O-])cc3F)CC[NH2+]CC2)c1 ZINC001161996553 1312025216 /nfs/dbraw/zinc/02/52/16/1312025216.db2.gz XVEYVZFSXAOGOG-UHFFFAOYSA-N 1 0 346.362 2.828 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228962767 1312027779 /nfs/dbraw/zinc/02/77/79/1312027779.db2.gz MQCXKXKUGIEVMS-CYBMUJFWSA-N 1 0 340.763 2.508 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001228965766 1312028497 /nfs/dbraw/zinc/02/84/97/1312028497.db2.gz FOPHGRHSOCQDSY-NSHDSACASA-N 1 0 342.779 2.898 20 5 EFBDRO CC(F)(F)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001229037436 1312039903 /nfs/dbraw/zinc/03/99/03/1312039903.db2.gz KOLGVIOTSQANMG-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2cccc([N+](=O)[O-])n2)CC1 ZINC001162194919 1312065386 /nfs/dbraw/zinc/06/53/86/1312065386.db2.gz BJGMBYQBADUXKO-SHTZXODSSA-N 1 0 327.388 2.661 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2oc3ccccc3c21 ZINC001229285846 1312072130 /nfs/dbraw/zinc/07/21/30/1312072130.db2.gz LJQFDKHZSBZXPB-CYBMUJFWSA-N 1 0 328.388 2.949 20 5 EFBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001162337235 1312089454 /nfs/dbraw/zinc/08/94/54/1312089454.db2.gz LTZBSKTZWJCSID-KRWDZBQOSA-N 1 0 327.388 2.948 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229401032 1312089952 /nfs/dbraw/zinc/08/99/52/1312089952.db2.gz BZYHUZISPHDCBX-DRXBFXEBSA-N 1 0 328.372 2.647 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229401023 1312090060 /nfs/dbraw/zinc/09/00/60/1312090060.db2.gz BZYHUZISPHDCBX-ATCWAGBWSA-N 1 0 328.372 2.647 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162453460 1312106407 /nfs/dbraw/zinc/10/64/07/1312106407.db2.gz KLYJXQLKCILAEN-KOLCDFICSA-N 1 0 339.827 2.963 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001162465310 1312108950 /nfs/dbraw/zinc/10/89/50/1312108950.db2.gz FRNRIYRXSNXDSQ-GXTWGEPZSA-N 1 0 335.404 2.819 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162472940 1312110274 /nfs/dbraw/zinc/11/02/74/1312110274.db2.gz ZWAPFVBHCYEVCC-DGCLKSJQSA-N 1 0 335.404 2.737 20 5 EFBDRO Cc1cncc(C)c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001162478918 1312110990 /nfs/dbraw/zinc/11/09/90/1312110990.db2.gz DUHNHZAEQCLNHA-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001162555075 1312123549 /nfs/dbraw/zinc/12/35/49/1312123549.db2.gz LBRLTIODHAXOQI-RKDXNWHRSA-N 1 0 345.856 2.950 20 5 EFBDRO Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c(C)c1Br ZINC001162559994 1312124657 /nfs/dbraw/zinc/12/46/57/1312124657.db2.gz WJACSICMKIKBNO-GMSGAONNSA-N 1 0 343.225 2.779 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162586023 1312129971 /nfs/dbraw/zinc/12/99/71/1312129971.db2.gz PFIYCKJNGCOFEH-MRXNPFEDSA-N 1 0 339.367 2.584 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162587051 1312130094 /nfs/dbraw/zinc/13/00/94/1312130094.db2.gz NHFNBLAMSKFVIK-MRXNPFEDSA-N 1 0 339.367 2.665 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1nccc1C[NH3+] ZINC001162592375 1312131631 /nfs/dbraw/zinc/13/16/31/1312131631.db2.gz BELJYUAXRJCYGK-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902827435 1312138156 /nfs/dbraw/zinc/13/81/56/1312138156.db2.gz MJZTURJFYSDLJD-CMPLNLGQSA-N 1 0 338.795 2.949 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831991 1312146708 /nfs/dbraw/zinc/14/67/08/1312146708.db2.gz OTWUHWOHKPPGHA-GFCCVEGCSA-N 1 0 334.294 2.713 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1F ZINC001229942184 1312162041 /nfs/dbraw/zinc/16/20/41/1312162041.db2.gz MSONGPQRTCVBEC-JTQLQIEISA-N 1 0 328.340 2.630 20 5 EFBDRO COC(=O)c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC001229943006 1312162107 /nfs/dbraw/zinc/16/21/07/1312162107.db2.gz SLJPZKWRWJXJIM-URLYPYJESA-N 1 0 338.335 2.525 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229959201 1312163407 /nfs/dbraw/zinc/16/34/07/1312163407.db2.gz ATNKVPKONKMKKI-FVCICTRLSA-N 1 0 348.399 2.799 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001162738842 1312163996 /nfs/dbraw/zinc/16/39/96/1312163996.db2.gz IZMYVNRRTVOBKV-HNNXBMFYSA-N 1 0 341.383 2.585 20 5 EFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001162764356 1312171355 /nfs/dbraw/zinc/17/13/55/1312171355.db2.gz WXUJEBWAWIGLFF-MRVPVSSYSA-N 1 0 340.368 2.958 20 5 EFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001162779161 1312174545 /nfs/dbraw/zinc/17/45/45/1312174545.db2.gz VOMROHREMVCDQY-SNVBAGLBSA-N 1 0 338.371 2.726 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162802472 1312178926 /nfs/dbraw/zinc/17/89/26/1312178926.db2.gz SCXZMTQRXQHWNO-WPRPVWTQSA-N 1 0 339.758 2.551 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001162847892 1312188957 /nfs/dbraw/zinc/18/89/57/1312188957.db2.gz ZTXIVHFWKSPBED-JTQLQIEISA-N 1 0 327.369 2.621 20 5 EFBDRO CC(=O)Nc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001162850921 1312189818 /nfs/dbraw/zinc/18/98/18/1312189818.db2.gz UMOBSCCPTHDONF-ZDUSSCGKSA-N 1 0 326.356 2.575 20 5 EFBDRO COC(=O)[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(C)(C)[NH3+] ZINC001162950279 1312209476 /nfs/dbraw/zinc/20/94/76/1312209476.db2.gz QWFBPJRWANEXOW-MRXNPFEDSA-N 1 0 343.383 2.953 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964756 1312213811 /nfs/dbraw/zinc/21/38/11/1312213811.db2.gz AMHKISGEXSKHBS-LBPRGKRZSA-N 1 0 341.358 2.834 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC001162974243 1312215736 /nfs/dbraw/zinc/21/57/36/1312215736.db2.gz AEKZPPJQLHGQPI-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1cc(Cl)nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163054353 1312232971 /nfs/dbraw/zinc/23/29/71/1312232971.db2.gz YLHOIICIWBYVNZ-NSHDSACASA-N 1 0 336.779 2.730 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163056434 1312233640 /nfs/dbraw/zinc/23/36/40/1312233640.db2.gz RHGSSTBASRRBQE-NSHDSACASA-N 1 0 335.795 2.666 20 5 EFBDRO COc1c(F)cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163059731 1312234858 /nfs/dbraw/zinc/23/48/58/1312234858.db2.gz GOCGLTBYISTGIV-GFCCVEGCSA-N 1 0 348.378 2.766 20 5 EFBDRO Cc1ccc2c(ccnc2NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082898 1312237768 /nfs/dbraw/zinc/23/77/68/1312237768.db2.gz VFLXKGVORNDHSO-ZDUSSCGKSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1cc(Cl)c(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163093998 1312239522 /nfs/dbraw/zinc/23/95/22/1312239522.db2.gz DRWDXFNDGLYRTC-LLVKDONJSA-N 1 0 325.796 2.737 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCc1noc2c1C[NH2+]CC2 ZINC001163134844 1312248486 /nfs/dbraw/zinc/24/84/86/1312248486.db2.gz JIRIWEUUMVNZAA-UHFFFAOYSA-N 1 0 346.387 2.936 20 5 EFBDRO CC(F)(F)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163143257 1312250307 /nfs/dbraw/zinc/25/03/07/1312250307.db2.gz PINJXPZIPIFADB-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CC(C)(C)c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163170742 1312255933 /nfs/dbraw/zinc/25/59/33/1312255933.db2.gz GYFVMVLKXWECOS-SUYBPPKGSA-N 1 0 333.432 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC001163171651 1312256174 /nfs/dbraw/zinc/25/61/74/1312256174.db2.gz MKGQKANCVQSUPL-GLXFQSAKSA-N 1 0 345.321 2.650 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)cn2)cc1 ZINC001163219151 1312267160 /nfs/dbraw/zinc/26/71/60/1312267160.db2.gz WVGQNWHUQVKRGJ-UHFFFAOYSA-N 1 0 334.339 2.783 20 5 EFBDRO O=[N+]([O-])c1cccc2cnc(N[C@H]3C[NH2+]Cc4ccsc43)nc21 ZINC001163227322 1312268644 /nfs/dbraw/zinc/26/86/44/1312268644.db2.gz RWNRDSKNEUWCPN-NSHDSACASA-N 1 0 327.369 2.856 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163272950 1312279379 /nfs/dbraw/zinc/27/93/79/1312279379.db2.gz WRUOAXIOFUCFEG-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2cc[nH]c21 ZINC001163276975 1312280492 /nfs/dbraw/zinc/28/04/92/1312280492.db2.gz CJOUWMCTZFUHRN-SJCJKPOMSA-N 1 0 330.388 2.647 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2cc[nH]c21 ZINC001163276979 1312280685 /nfs/dbraw/zinc/28/06/85/1312280685.db2.gz CJOUWMCTZFUHRN-YVEFUNNKSA-N 1 0 330.388 2.647 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC001163280173 1312281280 /nfs/dbraw/zinc/28/12/80/1312281280.db2.gz RCFDLIWLZASHCI-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc2cnccc21 ZINC001163284600 1312282110 /nfs/dbraw/zinc/28/21/10/1312282110.db2.gz MMUSDYHFVQKTQK-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO CCOc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163291464 1312283410 /nfs/dbraw/zinc/28/34/10/1312283410.db2.gz QTGLNUVSWNNSPD-CXAGYDPISA-N 1 0 335.404 2.564 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001163306956 1312285896 /nfs/dbraw/zinc/28/58/96/1312285896.db2.gz USRDQDZBNOYUPX-INIZCTEOSA-N 1 0 339.355 2.659 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001163311436 1312287149 /nfs/dbraw/zinc/28/71/49/1312287149.db2.gz FBOZIQNACKIYQM-CQSZACIVSA-N 1 0 339.355 2.659 20 5 EFBDRO Nc1nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ccc1[N+](=O)[O-] ZINC001163319774 1312288330 /nfs/dbraw/zinc/28/83/30/1312288330.db2.gz KFRPNRQMZQWLLO-CYBMUJFWSA-N 1 0 331.420 2.805 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1occ2c1CCC2 ZINC001163339626 1312292963 /nfs/dbraw/zinc/29/29/63/1312292963.db2.gz VCLRDBGHUXHECW-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC001163393693 1312303060 /nfs/dbraw/zinc/30/30/60/1312303060.db2.gz CTORYJMSPZLQPO-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001163393855 1312303459 /nfs/dbraw/zinc/30/34/59/1312303459.db2.gz IXVCNMMRCHTBRN-UHFFFAOYSA-N 1 0 348.428 2.674 20 5 EFBDRO CCOC(=O)[C@@H](Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1)OCC ZINC001230761159 1312331638 /nfs/dbraw/zinc/33/16/38/1312331638.db2.gz OKQPZQAGTXRAAF-MAUKXSAKSA-N 1 0 338.468 2.671 20 5 EFBDRO CC(=O)Cc1c(F)c(OC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001230794720 1312345856 /nfs/dbraw/zinc/34/58/56/1312345856.db2.gz SLHXAYWYKYDCLD-UHFFFAOYSA-N 1 0 336.363 2.871 20 5 EFBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001163650404 1312354157 /nfs/dbraw/zinc/35/41/57/1312354157.db2.gz NVLAIODOJQFKAQ-DOTOQJQBSA-N 1 0 330.388 2.789 20 5 EFBDRO Cc1c(C)n(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163755599 1312378150 /nfs/dbraw/zinc/37/81/50/1312378150.db2.gz HYUHOOWSWDSFGZ-UHFFFAOYSA-N 1 0 346.774 2.901 20 5 EFBDRO Cc1c(C)n(-c2ncnc3[nH]cc([N+](=O)[O-])c32)c2ccc(C[NH3+])cc12 ZINC001163757578 1312379104 /nfs/dbraw/zinc/37/91/04/1312379104.db2.gz XBQKDMHSMGACGD-UHFFFAOYSA-N 1 0 336.355 2.886 20 5 EFBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001163772553 1312381834 /nfs/dbraw/zinc/38/18/34/1312381834.db2.gz MRSRWGVCPSONMN-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@@H](C)C[NH+](C)C ZINC001163778181 1312383082 /nfs/dbraw/zinc/38/30/82/1312383082.db2.gz DKBJBVBXUYQINT-JTQLQIEISA-N 1 0 349.822 2.798 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[N@H+](Cc3ccncc3)CC2)n1 ZINC001163827796 1312389571 /nfs/dbraw/zinc/38/95/71/1312389571.db2.gz UZMKIMCATVYHGD-UHFFFAOYSA-N 1 0 347.806 2.751 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163909736 1312406733 /nfs/dbraw/zinc/40/67/33/1312406733.db2.gz SKWYCOZKYMKLMC-UHFFFAOYSA-N 1 0 342.403 2.506 20 5 EFBDRO O=C(/C=C\C1CC1)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163960419 1312414823 /nfs/dbraw/zinc/41/48/23/1312414823.db2.gz ZQDGHZKGBSKRMH-ARJAWSKDSA-N 1 0 349.456 2.999 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055442 1312419756 /nfs/dbraw/zinc/41/97/56/1312419756.db2.gz JWQWPBHVCSGGQJ-DRXBFXEBSA-N 1 0 328.372 2.647 20 5 EFBDRO CN(C)c1ccnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903199488 1312455439 /nfs/dbraw/zinc/45/54/39/1312455439.db2.gz ZKRORKXNVZIHPZ-CVEARBPZSA-N 1 0 344.419 2.526 20 5 EFBDRO CN(C)c1ccnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903199489 1312455725 /nfs/dbraw/zinc/45/57/25/1312455725.db2.gz ZKRORKXNVZIHPZ-HOTGVXAUSA-N 1 0 344.419 2.526 20 5 EFBDRO Cc1cc(Cl)c(NCC2([NH+](C)C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001164216107 1312470835 /nfs/dbraw/zinc/47/08/35/1312470835.db2.gz SUKIYHWOSOOELR-UHFFFAOYSA-N 1 0 340.855 2.995 20 5 EFBDRO CN1CCC(CNc2ccnc3c2cccc3[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164216467 1312470903 /nfs/dbraw/zinc/47/09/03/1312470903.db2.gz CRWRCMIMBVLDHF-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC2(CCC2)C1 ZINC001164257868 1312480139 /nfs/dbraw/zinc/48/01/39/1312480139.db2.gz OIBQSIFAADSSTM-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCOCC1 ZINC000903229243 1312481534 /nfs/dbraw/zinc/48/15/34/1312481534.db2.gz VXLPPWAEXXKPJT-CYBMUJFWSA-N 1 0 339.461 2.690 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001164366138 1312500971 /nfs/dbraw/zinc/50/09/71/1312500971.db2.gz JOBCFSMSXQCXPJ-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO CCCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001164407278 1312509471 /nfs/dbraw/zinc/50/94/71/1312509471.db2.gz BRUBENDVQKPBAI-UHFFFAOYSA-N 1 0 344.415 2.785 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164460700 1312518284 /nfs/dbraw/zinc/51/82/84/1312518284.db2.gz FYRUMTNRDGPFKC-DTWKUNHWSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C[NH3+])CC[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164468534 1312519803 /nfs/dbraw/zinc/51/98/03/1312519803.db2.gz SBJKAKLGFQWRBC-KBPBESRZSA-N 1 0 341.415 2.924 20 5 EFBDRO Cc1cc(N2C[C@@H](C[NH3+])CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164474749 1312521157 /nfs/dbraw/zinc/52/11/57/1312521157.db2.gz UTVBCYLUPZOTOO-ZIAGYGMSSA-N 1 0 341.415 2.924 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164472850 1312521313 /nfs/dbraw/zinc/52/13/13/1312521313.db2.gz ADBJELHVQGZFIJ-NEPJUHHUSA-N 1 0 345.378 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000903266552 1312522549 /nfs/dbraw/zinc/52/25/49/1312522549.db2.gz ZPTLXAAANLPOPP-MSOLQXFVSA-N 1 0 331.416 2.721 20 5 EFBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001164604640 1312548274 /nfs/dbraw/zinc/54/82/74/1312548274.db2.gz RUKVZCHUCUGDGO-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001165074632 1312562870 /nfs/dbraw/zinc/56/28/70/1312562870.db2.gz NZKQQVYNALBSLH-ZDUSSCGKSA-N 1 0 345.378 2.721 20 5 EFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001165109975 1312569466 /nfs/dbraw/zinc/56/94/66/1312569466.db2.gz QFNNOINAGLWPAJ-MRXNPFEDSA-N 1 0 348.447 2.686 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Cl)c1 ZINC001165120532 1312572282 /nfs/dbraw/zinc/57/22/82/1312572282.db2.gz MFKHYQRXWRPUCP-UHFFFAOYSA-N 1 0 344.802 2.965 20 5 EFBDRO C[NH+]1C[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC001165147322 1312577909 /nfs/dbraw/zinc/57/79/09/1312577909.db2.gz DPXCRJAPHQWSLQ-QWRGUYRKSA-N 1 0 332.791 2.794 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903344427 1312584628 /nfs/dbraw/zinc/58/46/28/1312584628.db2.gz VWCWVDCHYGAKDC-WBVHZDCISA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001165235965 1312592395 /nfs/dbraw/zinc/59/23/95/1312592395.db2.gz BKXULJDVJBLRMJ-MRXNPFEDSA-N 1 0 347.806 2.771 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165237355 1312592947 /nfs/dbraw/zinc/59/29/47/1312592947.db2.gz VUHCWAMKHKDDLI-ZDUSSCGKSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001165243589 1312593716 /nfs/dbraw/zinc/59/37/16/1312593716.db2.gz OOJSYZUBYHCSMM-SFHVURJKSA-N 1 0 339.399 2.632 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CCCC[NH2+]2)CC1 ZINC001165247746 1312594700 /nfs/dbraw/zinc/59/47/00/1312594700.db2.gz XRGUAPGEWSXHRE-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279539 1312601995 /nfs/dbraw/zinc/60/19/95/1312601995.db2.gz VWWKYUKDGLKDPF-ZDUSSCGKSA-N 1 0 335.404 2.915 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc12 ZINC001165288600 1312603164 /nfs/dbraw/zinc/60/31/64/1312603164.db2.gz QRBXGZUFEDEGAG-IAGOWNOFSA-N 1 0 334.423 2.598 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001165290309 1312603493 /nfs/dbraw/zinc/60/34/93/1312603493.db2.gz RYFHKUIQRGKCOZ-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1cccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165304663 1312606282 /nfs/dbraw/zinc/60/62/82/1312606282.db2.gz QXIUAYFXMOEAKN-JTQLQIEISA-N 1 0 330.310 2.643 20 5 EFBDRO O=[N+]([O-])c1cnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(F)c1 ZINC001165303785 1312606293 /nfs/dbraw/zinc/60/62/93/1312606293.db2.gz KXDBKFCVSXMCEE-LLVKDONJSA-N 1 0 348.300 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165325418 1312609447 /nfs/dbraw/zinc/60/94/47/1312609447.db2.gz ZLVXPMQVOQGMBP-QGZVFWFLSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CCCCC34CC[NH2+]CC4)nc2c1 ZINC001165336841 1312611606 /nfs/dbraw/zinc/61/16/06/1312611606.db2.gz AQZDZMHDOCUPPZ-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO CC(C)Oc1nc(N2CCCCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165340982 1312612439 /nfs/dbraw/zinc/61/24/39/1312612439.db2.gz ZXOMZLFQCGPIDQ-UHFFFAOYSA-N 1 0 334.420 2.890 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@H]43)nn2)ccc1Cl ZINC001165396284 1312620327 /nfs/dbraw/zinc/62/03/27/1312620327.db2.gz QYDFFSAMOBRAKT-DZGCQCFKSA-N 1 0 345.790 2.646 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@H]4[NH2+]C[C@@H]43)nn2)ccc1Cl ZINC001165396290 1312620340 /nfs/dbraw/zinc/62/03/40/1312620340.db2.gz QYDFFSAMOBRAKT-ZFWWWQNUSA-N 1 0 345.790 2.646 20 5 EFBDRO CCc1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165397595 1312621052 /nfs/dbraw/zinc/62/10/52/1312621052.db2.gz WTTZUQLIGCVGOK-JKSUJKDBSA-N 1 0 339.399 2.555 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391539 1312627196 /nfs/dbraw/zinc/62/71/96/1312627196.db2.gz CCCPVNQONJMBAY-GXTWGEPZSA-N 1 0 335.404 2.655 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]2CF)CC1 ZINC001165428650 1312628085 /nfs/dbraw/zinc/62/80/85/1312628085.db2.gz FZALOMYMFXTADT-RISCZKNCSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]2CF)CC1 ZINC001165428757 1312628232 /nfs/dbraw/zinc/62/82/32/1312628232.db2.gz GAKFFPUTPILWPG-DGCLKSJQSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165433935 1312630079 /nfs/dbraw/zinc/63/00/79/1312630079.db2.gz OZIWZGRAEYIJOL-WFASDCNBSA-N 1 0 330.363 2.656 20 5 EFBDRO O=[N+]([O-])c1cc(NCC2C[NH+](Cc3ccccc3)C2)cn2ccnc12 ZINC001165453013 1312632909 /nfs/dbraw/zinc/63/29/09/1312632909.db2.gz DYTFKRUENASAHH-UHFFFAOYSA-N 1 0 337.383 2.786 20 5 EFBDRO O=[N+]([O-])c1cnc2ccc(NCC3C[NH+](Cc4ccccc4)C3)cn21 ZINC001165455206 1312632919 /nfs/dbraw/zinc/63/29/19/1312632919.db2.gz VVTUPYKBQLDOSH-UHFFFAOYSA-N 1 0 337.383 2.786 20 5 EFBDRO C[NH2+]Cc1cccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c1 ZINC001211140691 1314439071 /nfs/dbraw/zinc/43/90/71/1314439071.db2.gz LPXKNDHGCYCYNB-UHFFFAOYSA-N 1 0 330.391 2.792 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211191027 1314450166 /nfs/dbraw/zinc/45/01/66/1314450166.db2.gz MPBFCHPBBOSMOY-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c(N)[nH+]c3ccccc32)c1 ZINC001211364542 1314485334 /nfs/dbraw/zinc/48/53/34/1314485334.db2.gz LBYHJKCKDYCGOU-UHFFFAOYSA-N 1 0 326.312 2.693 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118792216 1314539357 /nfs/dbraw/zinc/53/93/57/1314539357.db2.gz YSZFBFQENZPYCG-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001019939162 1314543115 /nfs/dbraw/zinc/54/31/15/1314543115.db2.gz RZISKXBVRKMVRC-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019943514 1314545118 /nfs/dbraw/zinc/54/51/18/1314545118.db2.gz XFGVOXONYNYMAN-HDJSIYSDSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccc(F)c1 ZINC001019951215 1314548081 /nfs/dbraw/zinc/54/80/81/1314548081.db2.gz RMEZXNPHSIUQAQ-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC001019952179 1314548146 /nfs/dbraw/zinc/54/81/46/1314548146.db2.gz GOAULROBJWOSSH-JOCQHMNTSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019952408 1314548287 /nfs/dbraw/zinc/54/82/87/1314548287.db2.gz QVELFOLSYSOABE-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001019967729 1314551762 /nfs/dbraw/zinc/55/17/62/1314551762.db2.gz ZRGMMDVALNLZHH-HAQNSBGRSA-N 1 0 335.385 2.608 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001019981741 1314555584 /nfs/dbraw/zinc/55/55/84/1314555584.db2.gz NXHQWYHZLMNHAU-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019989928 1314559533 /nfs/dbraw/zinc/55/95/33/1314559533.db2.gz YJIOHCFATDLRDY-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019989653 1314559740 /nfs/dbraw/zinc/55/97/40/1314559740.db2.gz LGWMHSIQEKWRTN-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@]1(F)CCCCNC1)CC2 ZINC001246116639 1314585087 /nfs/dbraw/zinc/58/50/87/1314585087.db2.gz WIYKFXAZXJSFCT-AEFFLSMTSA-N 1 0 335.423 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@]1(F)CCCCNC1)CC2 ZINC001246116641 1314585575 /nfs/dbraw/zinc/58/55/75/1314585575.db2.gz WIYKFXAZXJSFCT-SJLPKXTDSA-N 1 0 335.423 2.914 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001020054188 1314589885 /nfs/dbraw/zinc/58/98/85/1314589885.db2.gz HDBREBLHSSUDFV-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001246282203 1314606044 /nfs/dbraw/zinc/60/60/44/1314606044.db2.gz UPLQVLGFHCSHCE-KBXCAEBGSA-N 1 0 325.412 2.830 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](N)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001246301531 1314607795 /nfs/dbraw/zinc/60/77/95/1314607795.db2.gz ZCDADLUTMBTUDR-YOEHRIQHSA-N 1 0 343.427 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001246590447 1314653510 /nfs/dbraw/zinc/65/35/10/1314653510.db2.gz JIINIXPXDGYOMB-AGIUHOORSA-N 1 0 339.411 2.733 20 5 EFBDRO N[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246603478 1314656539 /nfs/dbraw/zinc/65/65/39/1314656539.db2.gz YUJZAXMPNCWMAQ-UKRRQHHQSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611726 1314657504 /nfs/dbraw/zinc/65/75/04/1314657504.db2.gz VKWPQLYDUATUPN-RDTXWAMCSA-N 1 0 333.432 2.610 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC001246618331 1314657972 /nfs/dbraw/zinc/65/79/72/1314657972.db2.gz JWWAPAJOGRTUQJ-RDTXWAMCSA-N 1 0 333.432 2.752 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1C=CC=CC=C1 ZINC001020202404 1314665077 /nfs/dbraw/zinc/66/50/77/1314665077.db2.gz COIZWVHTNYELIC-QAQDUYKDSA-N 1 0 339.395 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1c1ccccc1F)C2 ZINC001246799260 1314684988 /nfs/dbraw/zinc/68/49/88/1314684988.db2.gz XDFUKSFIUHDVHN-APWZRJJASA-N 1 0 341.386 2.848 20 5 EFBDRO COCCCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246809359 1314687029 /nfs/dbraw/zinc/68/70/29/1314687029.db2.gz QZADVNKPKJUKAC-WBVHZDCISA-N 1 0 335.448 2.616 20 5 EFBDRO CCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246854670 1314697299 /nfs/dbraw/zinc/69/72/99/1314697299.db2.gz QMYAVHIUQQXIGF-QWHCGFSZSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906489 1314706463 /nfs/dbraw/zinc/70/64/63/1314706463.db2.gz BWTCKQCPIXQKQP-YVEFUNNKSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@]2(C)CCC[NH2+]C2)c1F ZINC001246906488 1314706980 /nfs/dbraw/zinc/70/69/80/1314706980.db2.gz BWTCKQCPIXQKQP-SJKOYZFVSA-N 1 0 339.411 2.747 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246911269 1314707873 /nfs/dbraw/zinc/70/78/73/1314707873.db2.gz AXWSKNLCSNFCJV-CHWSQXEVSA-N 1 0 339.411 2.747 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC001020300865 1314719386 /nfs/dbraw/zinc/71/93/86/1314719386.db2.gz GIGGACDVCMMVSI-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC(F)(F)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246986122 1314724495 /nfs/dbraw/zinc/72/44/95/1314724495.db2.gz FRBKWZDJOJNLSC-DGCLKSJQSA-N 1 0 343.374 2.593 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC(F)(F)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246986125 1314724898 /nfs/dbraw/zinc/72/48/98/1314724898.db2.gz FRBKWZDJOJNLSC-WCQYABFASA-N 1 0 343.374 2.593 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC2)NCCc2ccccc23)C1 ZINC001247004745 1314729348 /nfs/dbraw/zinc/72/93/48/1314729348.db2.gz NZCAXCOEROYXCM-RDJZCZTQSA-N 1 0 329.444 2.569 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001247016388 1314731683 /nfs/dbraw/zinc/73/16/83/1314731683.db2.gz UPHSETHNEAINTP-LXZKKBNFSA-N 1 0 333.432 2.608 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC3(C2)CC[NH2+]CC3)n1 ZINC001247873711 1314858769 /nfs/dbraw/zinc/85/87/69/1314858769.db2.gz JBGTXLPCNMIXMT-JTQLQIEISA-N 1 0 347.350 2.816 20 5 EFBDRO Cc1ccccc1[C@@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249257322 1315039892 /nfs/dbraw/zinc/03/98/92/1315039892.db2.gz JGAVBXIOTOFRIN-LBPRGKRZSA-N 1 0 343.318 2.730 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1cccc(F)c1 ZINC001249259897 1315040494 /nfs/dbraw/zinc/04/04/94/1315040494.db2.gz KGWGEWULDBTKLR-NSHDSACASA-N 1 0 347.281 2.561 20 5 EFBDRO NC(=O)[C@@H]([NH3+])CCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249291890 1315046345 /nfs/dbraw/zinc/04/63/45/1315046345.db2.gz YOJMAAWWXVSVQJ-KRWDZBQOSA-N 1 0 346.390 2.788 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1-n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001249544855 1315094342 /nfs/dbraw/zinc/09/43/42/1315094342.db2.gz NDJZLHJUZJONLF-UHFFFAOYSA-N 1 0 339.330 2.957 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)ccc1Br ZINC001217945592 1315123494 /nfs/dbraw/zinc/12/34/94/1315123494.db2.gz KYCMRRMFYAYEAG-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1Br ZINC001217950071 1315124296 /nfs/dbraw/zinc/12/42/96/1315124296.db2.gz OTPLEPLUQXUFJG-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC[C@@H]2F)c2ccccc21 ZINC001217960554 1315126069 /nfs/dbraw/zinc/12/60/69/1315126069.db2.gz SBOIKZQFCFTXAJ-FZMZJTMJSA-N 1 0 335.291 2.735 20 5 EFBDRO O=c1c2cc(O[C@H]3CCCC[NH2+]C3)c(O)cc2oc2cccc(O)c12 ZINC001217970067 1315126543 /nfs/dbraw/zinc/12/65/43/1315126543.db2.gz CCIVVTUSDPEIGW-NSHDSACASA-N 1 0 341.363 2.878 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1Br ZINC001217972321 1315127127 /nfs/dbraw/zinc/12/71/27/1315127127.db2.gz OJDRUYSJFUAYSI-GZMMTYOYSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217973338 1315127965 /nfs/dbraw/zinc/12/79/65/1315127965.db2.gz BGKRKPGZUXMUBE-SKDRFNHKSA-N 1 0 338.257 2.962 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217980367 1315128333 /nfs/dbraw/zinc/12/83/33/1315128333.db2.gz KRKKPZNNQXOMAT-NEPJUHHUSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217980368 1315128475 /nfs/dbraw/zinc/12/84/75/1315128475.db2.gz KRKKPZNNQXOMAT-NWDGAFQWSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)ncc1[N+](=O)[O-] ZINC001217979523 1315128536 /nfs/dbraw/zinc/12/85/36/1315128536.db2.gz IBIMZNYTLSCKST-PSASIEDQSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979181 1315128559 /nfs/dbraw/zinc/12/85/59/1315128559.db2.gz GGWDVLHRRNFBIK-MWLCHTKSSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1[N+](=O)[O-] ZINC001217983664 1315129166 /nfs/dbraw/zinc/12/91/66/1315129166.db2.gz WTLSDNLCDVOJMU-VHSXEESVSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3C[NH2+]CCC[C@H]3F)[nH]c2cc1Cl ZINC001217981118 1315129240 /nfs/dbraw/zinc/12/92/40/1315129240.db2.gz OLCITZHKTLFKBW-PRHODGIISA-N 1 0 328.731 2.593 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001217993508 1315130261 /nfs/dbraw/zinc/13/02/61/1315130261.db2.gz RVNQYBDRRMIUGM-KWQFWETISA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001217993503 1315130601 /nfs/dbraw/zinc/13/06/01/1315130601.db2.gz RVNQYBDRRMIUGM-GZMMTYOYSA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]CC[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218025746 1315135557 /nfs/dbraw/zinc/13/55/57/1315135557.db2.gz VHDWZDYHOKRRQU-UFBFGSQYSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001218046364 1315138711 /nfs/dbraw/zinc/13/87/11/1315138711.db2.gz WRJVQDRTTGOMGD-LJQANCHMSA-N 1 0 339.395 2.551 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218114414 1315150965 /nfs/dbraw/zinc/15/09/65/1315150965.db2.gz IUCNJXBQNJAVLZ-OLZOCXBDSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218119433 1315151590 /nfs/dbraw/zinc/15/15/90/1315151590.db2.gz YMHILZHUHIZQIM-OLZOCXBDSA-N 1 0 327.178 2.878 20 5 EFBDRO O=c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218144708 1315154779 /nfs/dbraw/zinc/15/47/79/1315154779.db2.gz OZUVFPKXPNFZJA-RIEGTJTDSA-N 1 0 329.356 2.616 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001218148955 1315154985 /nfs/dbraw/zinc/15/49/85/1315154985.db2.gz FTAWILFQWKIUIO-WOFXILAISA-N 1 0 327.178 2.652 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218150554 1315155487 /nfs/dbraw/zinc/15/54/87/1315155487.db2.gz LUVUWXXSVYHFCQ-JYAVWHMHSA-N 1 0 334.372 2.537 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218149426 1315155943 /nfs/dbraw/zinc/15/59/43/1315155943.db2.gz LNASGMFMMPPGAA-MSRIBSCDSA-N 1 0 335.360 2.787 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC12C[NH2+]C2 ZINC001218242572 1315170602 /nfs/dbraw/zinc/17/06/02/1315170602.db2.gz RNGZFTZCCANQMA-LLVKDONJSA-N 1 0 327.178 2.797 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218244094 1315170649 /nfs/dbraw/zinc/17/06/49/1315170649.db2.gz KWMXKJKGIAHCRV-CQSZACIVSA-N 1 0 334.372 2.681 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC001218398103 1315189138 /nfs/dbraw/zinc/18/91/38/1315189138.db2.gz IBJMLVPKTBYTTF-CBAPKCEASA-N 1 0 330.182 2.580 20 5 EFBDRO C[C@@H]1CC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398706 1315189858 /nfs/dbraw/zinc/18/98/58/1315189858.db2.gz MGQQFUVEOKOSRV-GHMZBOCLSA-N 1 0 341.363 2.877 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218406709 1315191252 /nfs/dbraw/zinc/19/12/52/1315191252.db2.gz VYNVGGGSHVPDFY-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Br)c1 ZINC001218444569 1315196611 /nfs/dbraw/zinc/19/66/11/1315196611.db2.gz KNXROIHVJMCBOQ-PFZYVWIYSA-N 1 0 331.141 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC001218446920 1315196919 /nfs/dbraw/zinc/19/69/19/1315196919.db2.gz FICMGQNRTOQZQI-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218447275 1315197263 /nfs/dbraw/zinc/19/72/63/1315197263.db2.gz ILBMEHJYBCGFJX-SECBINFHSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218449914 1315198301 /nfs/dbraw/zinc/19/83/01/1315198301.db2.gz XGMJQUOWUVTWOW-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218469413 1315200940 /nfs/dbraw/zinc/20/09/40/1315200940.db2.gz VRSUUYKWXXREEC-POZPLHJXSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218470521 1315201144 /nfs/dbraw/zinc/20/11/44/1315201144.db2.gz COONIFKODBHSBP-UBHAPETDSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218467653 1315201154 /nfs/dbraw/zinc/20/11/54/1315201154.db2.gz QAXQQJFOOOFALX-FRFSOERESA-N 1 0 331.416 2.962 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001218477247 1315202499 /nfs/dbraw/zinc/20/24/99/1315202499.db2.gz HFZZHLYRTSZUFV-HOSYDEDBSA-N 1 0 327.178 2.937 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([N+](=O)[O-])c1 ZINC001218477112 1315202542 /nfs/dbraw/zinc/20/25/42/1315202542.db2.gz DJGBVENVAWIRAT-YWPYICTPSA-N 1 0 334.372 2.822 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489721 1315204603 /nfs/dbraw/zinc/20/46/03/1315204603.db2.gz QJCBMEMIJLIQOY-MRXNPFEDSA-N 1 0 328.324 2.605 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001219254105 1315294955 /nfs/dbraw/zinc/29/49/55/1315294955.db2.gz UHDBERLXZLHKGD-WBMJQRKESA-N 1 0 335.407 2.717 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318408508 1328578590 /nfs/dbraw/zinc/57/85/90/1328578590.db2.gz RMTXORPEYMAKFH-JSGCOSHPSA-N 1 0 336.392 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318408511 1328578775 /nfs/dbraw/zinc/57/87/75/1328578775.db2.gz RMTXORPEYMAKFH-TZMCWYRMSA-N 1 0 336.392 2.598 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001251963896 1315396196 /nfs/dbraw/zinc/39/61/96/1315396196.db2.gz QIEMHULTXGTBGW-ZIAGYGMSSA-N 1 0 325.796 2.851 20 5 EFBDRO CCOC(=O)C1(NC(=O)c2c3ccccc3cc3ccccc32)C[NH2+]C1 ZINC001220852944 1315456969 /nfs/dbraw/zinc/45/69/69/1315456969.db2.gz DWJFTXMHCYGFQL-UHFFFAOYSA-N 1 0 348.402 2.628 20 5 EFBDRO CCOC(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC001254465161 1315706420 /nfs/dbraw/zinc/70/64/20/1315706420.db2.gz RKODMCUURBKXJD-UHFFFAOYSA-N 1 0 337.420 2.552 20 5 EFBDRO CCc1coc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254465288 1315706575 /nfs/dbraw/zinc/70/65/75/1315706575.db2.gz XLYHEEGUHXGKAI-UHFFFAOYSA-N 1 0 330.388 2.904 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001254475059 1315707512 /nfs/dbraw/zinc/70/75/12/1315707512.db2.gz ZJRNJNFBQSDNPE-SFHVURJKSA-N 1 0 331.416 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001254474389 1315707551 /nfs/dbraw/zinc/70/75/51/1315707551.db2.gz OYFMQRWPXIMMJL-KDOFPFPSSA-N 1 0 331.416 2.674 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001254474075 1315707752 /nfs/dbraw/zinc/70/77/52/1315707752.db2.gz KXNADTCMRXACGP-GOSISDBHSA-N 1 0 331.416 2.819 20 5 EFBDRO CN1C[C@H]2[C@H](C1)CCC[N@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479920 1315708040 /nfs/dbraw/zinc/70/80/40/1315708040.db2.gz QBMRHWDTWXBGPZ-KXBFYZLASA-N 1 0 344.459 2.590 20 5 EFBDRO C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001254476610 1315708058 /nfs/dbraw/zinc/70/80/58/1315708058.db2.gz TZLNTLXHYHYSRB-KBXCAEBGSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001254480222 1315708203 /nfs/dbraw/zinc/70/82/03/1315708203.db2.gz YOPQRWOVNFFZMY-SFHVURJKSA-N 1 0 331.416 2.819 20 5 EFBDRO CCN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC001254483413 1315708862 /nfs/dbraw/zinc/70/88/62/1315708862.db2.gz SXAUQLFBLJYCDK-OAHLLOKOSA-N 1 0 332.448 2.590 20 5 EFBDRO COC(=O)c1csc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254530786 1315719097 /nfs/dbraw/zinc/71/90/97/1315719097.db2.gz BCNIVJZFWDPBJZ-JTQLQIEISA-N 1 0 335.385 2.559 20 5 EFBDRO COc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254540174 1315721034 /nfs/dbraw/zinc/72/10/34/1315721034.db2.gz PPQPOYHEQHVCKS-RHSMWYFYSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001254539070 1315721194 /nfs/dbraw/zinc/72/11/94/1315721194.db2.gz BBTPCZVZFCNCNR-LXIYXOSZSA-N 1 0 330.384 2.943 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001254539858 1315721208 /nfs/dbraw/zinc/72/12/08/1315721208.db2.gz KWPVMOIEDNIPEI-ZDUSSCGKSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001254540378 1315721310 /nfs/dbraw/zinc/72/13/10/1315721310.db2.gz SPGKAWINBOUPJC-LBPRGKRZSA-N 1 0 325.368 2.559 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001254539857 1315721360 /nfs/dbraw/zinc/72/13/60/1315721360.db2.gz KWPVMOIEDNIPEI-CYBMUJFWSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1 ZINC001254536633 1315721410 /nfs/dbraw/zinc/72/14/10/1315721410.db2.gz RIWPCSOBUWXIKM-GDBMZVCRSA-N 1 0 330.384 2.555 20 5 EFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254540176 1315721537 /nfs/dbraw/zinc/72/15/37/1315721537.db2.gz PPQPOYHEQHVCKS-YOEHRIQHSA-N 1 0 344.411 2.728 20 5 EFBDRO CCC(=O)N1CCC(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254546378 1315722173 /nfs/dbraw/zinc/72/21/73/1315722173.db2.gz RWNATOSQPKNYEJ-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC(F)(F)C1 ZINC001254545804 1315722258 /nfs/dbraw/zinc/72/22/58/1315722258.db2.gz CZBYOXDWIXSULL-CYBMUJFWSA-N 1 0 327.375 2.847 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccn2)C1 ZINC001254548539 1315722280 /nfs/dbraw/zinc/72/22/80/1315722280.db2.gz NTLGHIFMDUQNOP-MAUKXSAKSA-N 1 0 340.427 2.785 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001254547005 1315722288 /nfs/dbraw/zinc/72/22/88/1315722288.db2.gz BLWMWVVKJQVKMM-RDTXWAMCSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccncn2)CC1 ZINC001254546952 1315722305 /nfs/dbraw/zinc/72/23/05/1315722305.db2.gz ATBQZTXAHPRRSV-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C(=O)Nc2ccccc21 ZINC001254549333 1315722326 /nfs/dbraw/zinc/72/23/26/1315722326.db2.gz RWZCGISKKPQPON-DOMZBBRYSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001254550350 1315722544 /nfs/dbraw/zinc/72/25/44/1315722544.db2.gz HZPQEWMZDZYXNJ-BBRMVZONSA-N 1 0 329.400 2.673 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001254551819 1315722558 /nfs/dbraw/zinc/72/25/58/1315722558.db2.gz GCOYTFGFJTVHNR-LLVKDONJSA-N 1 0 332.322 2.915 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001254552056 1315723015 /nfs/dbraw/zinc/72/30/15/1315723015.db2.gz INPOLPASXMHJBD-SMDDNHRTSA-N 1 0 332.322 2.773 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001254557685 1315723472 /nfs/dbraw/zinc/72/34/72/1315723472.db2.gz QSILTBIWXPETHI-KDOFPFPSSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001254558472 1315723509 /nfs/dbraw/zinc/72/35/09/1315723509.db2.gz AZNJBXXDKJWMNE-NVXWUHKLSA-N 1 0 345.443 2.860 20 5 EFBDRO COC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254559987 1315723720 /nfs/dbraw/zinc/72/37/20/1315723720.db2.gz DKSNRCVLQOTUIH-BBRMVZONSA-N 1 0 344.415 2.505 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001254562762 1315723938 /nfs/dbraw/zinc/72/39/38/1315723938.db2.gz UEBOZXMKDNHMEB-KDOFPFPSSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC001254563657 1315724109 /nfs/dbraw/zinc/72/41/09/1315724109.db2.gz AMFDUGUMQUMRJF-CQSZACIVSA-N 1 0 342.399 2.859 20 5 EFBDRO CCOC(=O)C1(F)CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563135 1315724174 /nfs/dbraw/zinc/72/41/74/1315724174.db2.gz UMXXROBEWHOFBP-CYBMUJFWSA-N 1 0 338.379 2.893 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001254562760 1315724195 /nfs/dbraw/zinc/72/41/95/1315724195.db2.gz UEBOZXMKDNHMEB-KBXCAEBGSA-N 1 0 331.416 2.613 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001254564926 1315724627 /nfs/dbraw/zinc/72/46/27/1315724627.db2.gz BOCDFEKTHJLERB-OAHLLOKOSA-N 1 0 326.352 2.623 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC001254567902 1315724671 /nfs/dbraw/zinc/72/46/71/1315724671.db2.gz QPUBMSLCKIRISC-HNNXBMFYSA-N 1 0 328.368 2.869 20 5 EFBDRO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254568341 1315724922 /nfs/dbraw/zinc/72/49/22/1315724922.db2.gz SSUIXFQOYLAFTB-NFOMZHRRSA-N 1 0 347.415 2.707 20 5 EFBDRO CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568164 1315725025 /nfs/dbraw/zinc/72/50/25/1315725025.db2.gz XWPITJURMUHKGN-WMLDXEAASA-N 1 0 333.432 2.857 20 5 EFBDRO CN(C)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571670 1315725331 /nfs/dbraw/zinc/72/53/31/1315725331.db2.gz ADDDFTAAMQNYDQ-PKOBYXMFSA-N 1 0 325.412 2.955 20 5 EFBDRO COc1ccc(OC)c(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254569824 1315725657 /nfs/dbraw/zinc/72/56/57/1315725657.db2.gz ZKCWFTNLWZEDIY-HNNXBMFYSA-N 1 0 328.368 2.869 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1nnc(-c3ccccc3)o1)C2 ZINC001254573392 1315725977 /nfs/dbraw/zinc/72/59/77/1315725977.db2.gz YXMAHYWNEVVSQQ-OAHLLOKOSA-N 1 0 336.351 2.902 20 5 EFBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574467 1315725991 /nfs/dbraw/zinc/72/59/91/1315725991.db2.gz HOTWVBXUBZTSLK-QGZVFWFLSA-N 1 0 345.443 2.689 20 5 EFBDRO CN1C(=O)CCC12CCC([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254571921 1315726051 /nfs/dbraw/zinc/72/60/51/1315726051.db2.gz DCQYIBHTJJDDAC-WUJZJPHMSA-N 1 0 343.427 2.585 20 5 EFBDRO CC(C)CC(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574466 1315726131 /nfs/dbraw/zinc/72/61/31/1315726131.db2.gz HOTWVBXUBZTSLK-KRWDZBQOSA-N 1 0 345.443 2.689 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC001254576883 1315726523 /nfs/dbraw/zinc/72/65/23/1315726523.db2.gz ASNXMAHJALRQSI-MRXNPFEDSA-N 1 0 332.400 2.585 20 5 EFBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OCc1ccccc1 ZINC001254577220 1315726627 /nfs/dbraw/zinc/72/66/27/1315726627.db2.gz DJDNHCVFVREWMH-KRWDZBQOSA-N 1 0 340.379 2.785 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C2 ZINC001254579654 1315726743 /nfs/dbraw/zinc/72/67/43/1315726743.db2.gz UUOKQNZDDXQCOS-YJBOKZPZSA-N 1 0 326.396 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cncn1CC1CCC1)C2 ZINC001254580060 1315726844 /nfs/dbraw/zinc/72/68/44/1315726844.db2.gz AJQDJYQTUNOKKN-MRXNPFEDSA-N 1 0 326.400 2.848 20 5 EFBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580143 1315726893 /nfs/dbraw/zinc/72/68/93/1315726893.db2.gz CFMQKELDCDHYAN-INIZCTEOSA-N 1 0 345.443 2.689 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579810 1315727014 /nfs/dbraw/zinc/72/70/14/1315727014.db2.gz VNZIHPKOGJWSLY-BXUZGUMPSA-N 1 0 335.404 2.565 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C2 ZINC001254581105 1315727087 /nfs/dbraw/zinc/72/70/87/1315727087.db2.gz KLIMYOSFVWRNFQ-AZUAARDMSA-N 1 0 337.423 2.926 20 5 EFBDRO CN(C)[C@@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584545 1315727336 /nfs/dbraw/zinc/72/73/36/1315727336.db2.gz SGLBBEQMLNFOOV-MJGOQNOKSA-N 1 0 325.412 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC001254584381 1315727338 /nfs/dbraw/zinc/72/73/38/1315727338.db2.gz HMKFNACDTZRYSR-KRWDZBQOSA-N 1 0 340.379 2.897 20 5 EFBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585730 1315727901 /nfs/dbraw/zinc/72/79/01/1315727901.db2.gz NPYYLOQAFUIICS-RGDDUWESSA-N 1 0 347.415 2.733 20 5 EFBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)ccc1F ZINC001254588444 1315727916 /nfs/dbraw/zinc/72/79/16/1315727916.db2.gz YUQSPFUBZQYWLH-ZDUSSCGKSA-N 1 0 332.306 2.813 20 5 EFBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592688 1315728222 /nfs/dbraw/zinc/72/82/22/1315728222.db2.gz FUKJGDWGQNNWIA-DYVFJYSZSA-N 1 0 332.400 2.727 20 5 EFBDRO Cc1ccc2c(n1)N(C)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598308 1315728864 /nfs/dbraw/zinc/72/88/64/1315728864.db2.gz WGCGHFNRNZDOIQ-GOSISDBHSA-N 1 0 338.411 2.717 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001254596692 1315729359 /nfs/dbraw/zinc/72/93/59/1315729359.db2.gz FGNIWXQPACWBPM-AWEZNQCLSA-N 1 0 326.331 2.639 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001254599939 1315729511 /nfs/dbraw/zinc/72/95/11/1315729511.db2.gz MZPRCEVRLDNYML-FUHWJXTLSA-N 1 0 325.368 2.610 20 5 EFBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254604039 1315729537 /nfs/dbraw/zinc/72/95/37/1315729537.db2.gz SZOMGFOQVWIBCN-DQYPLSBCSA-N 1 0 332.400 2.726 20 5 EFBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254604040 1315729870 /nfs/dbraw/zinc/72/98/70/1315729870.db2.gz SZOMGFOQVWIBCN-JLZZUVOBSA-N 1 0 332.400 2.726 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254605484 1315730465 /nfs/dbraw/zinc/73/04/65/1315730465.db2.gz AIAOUZGIKDJZFL-WBVHZDCISA-N 1 0 326.400 2.974 20 5 EFBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605300 1315730482 /nfs/dbraw/zinc/73/04/82/1315730482.db2.gz BDEAFWZYXSWOQW-ZWKOTPCHSA-N 1 0 339.395 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(c3cccc(O)c3)CC1)C2 ZINC001254605498 1315730623 /nfs/dbraw/zinc/73/06/23/1315730623.db2.gz ALIORBVPCLSUPU-SFHVURJKSA-N 1 0 339.395 2.590 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610189 1315730958 /nfs/dbraw/zinc/73/09/58/1315730958.db2.gz IKDGUSMDUWRDGO-KRWDZBQOSA-N 1 0 325.368 2.524 20 5 EFBDRO CCC(=O)N(CC)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610359 1315731115 /nfs/dbraw/zinc/73/11/15/1315731115.db2.gz KDQWEEZJKJLHOI-SFHVURJKSA-N 1 0 345.443 2.785 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610190 1315731312 /nfs/dbraw/zinc/73/13/12/1315731312.db2.gz IKDGUSMDUWRDGO-QGZVFWFLSA-N 1 0 325.368 2.524 20 5 EFBDRO Cc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612089 1315731608 /nfs/dbraw/zinc/73/16/08/1315731608.db2.gz UYMZAMGOYCDCEN-QZTJIDSGSA-N 1 0 339.395 2.919 20 5 EFBDRO CCCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050409025 1315768236 /nfs/dbraw/zinc/76/82/36/1315768236.db2.gz IFSXYASAJYSHIZ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001255580547 1315842847 /nfs/dbraw/zinc/84/28/47/1315842847.db2.gz IYRPXYUXMZAOFZ-SCOADAFUSA-N 1 0 343.427 2.989 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001255731266 1315862647 /nfs/dbraw/zinc/86/26/47/1315862647.db2.gz CYOIAIPTSNAQQD-KBPBESRZSA-N 1 0 335.404 2.514 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001039583065 1315879168 /nfs/dbraw/zinc/87/91/68/1315879168.db2.gz BBEUOWRLISIVSJ-XMTFNYHQSA-N 1 0 347.459 2.607 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001256083972 1315902792 /nfs/dbraw/zinc/90/27/92/1315902792.db2.gz ZVDYCVJODSLRBQ-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3ccoc3)CC2)ccc1[N+](=O)[O-] ZINC001256086929 1315903608 /nfs/dbraw/zinc/90/36/08/1315903608.db2.gz IUBJUUAPLIJLDF-UHFFFAOYSA-N 1 0 331.372 2.955 20 5 EFBDRO COc1cc(N2CCC([NH2+]CC(C)(C)OC)CC2)ccc1[N+](=O)[O-] ZINC001256086397 1315903735 /nfs/dbraw/zinc/90/37/35/1315903735.db2.gz WKYCSULKHXASLP-UHFFFAOYSA-N 1 0 337.420 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCCC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089765 1315903772 /nfs/dbraw/zinc/90/37/72/1315903772.db2.gz IJNZAAIXNHXWCZ-AWEZNQCLSA-N 1 0 347.415 2.674 20 5 EFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C1CC1 ZINC001256088002 1315903911 /nfs/dbraw/zinc/90/39/11/1315903911.db2.gz ADDCLLSZKSUAAN-INIZCTEOSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256095057 1315904382 /nfs/dbraw/zinc/90/43/82/1315904382.db2.gz WRRDNQBNZNEFDB-INIZCTEOSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H](C)c3ccno3)CC2)ccc1[N+](=O)[O-] ZINC001256095023 1315904459 /nfs/dbraw/zinc/90/44/59/1315904459.db2.gz VKRIAWDNPPQNJJ-GFCCVEGCSA-N 1 0 346.387 2.911 20 5 EFBDRO COc1cc(N2CCC([NH+]3CCC(OC)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094079 1315904476 /nfs/dbraw/zinc/90/44/76/1315904476.db2.gz FOLQLRIUGBTCLK-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO CC[N@H+](CCOC)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094588 1315904486 /nfs/dbraw/zinc/90/44/86/1315904486.db2.gz MJIOTXSSDPCZSI-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO COc1cc(N2CCC([NH+]3CC4CC(C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256102010 1315904858 /nfs/dbraw/zinc/90/48/58/1315904858.db2.gz UEOXUTKQVTXUSG-UHFFFAOYSA-N 1 0 331.416 2.914 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC001258020311 1316112758 /nfs/dbraw/zinc/11/27/58/1316112758.db2.gz QSHFJULYCFDGFT-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258020350 1316113020 /nfs/dbraw/zinc/11/30/20/1316113020.db2.gz RPHIXOPAFSGLRS-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC001258054793 1316116453 /nfs/dbraw/zinc/11/64/53/1316116453.db2.gz BXEXKGGHZISTEU-AWEZNQCLSA-N 1 0 330.388 2.871 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001262082812 1316447270 /nfs/dbraw/zinc/44/72/70/1316447270.db2.gz ONPZAOVVMVPTER-KBPBESRZSA-N 1 0 336.367 2.872 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001262358564 1316463534 /nfs/dbraw/zinc/46/35/34/1316463534.db2.gz VSEMJIXKKRWCHE-UHFFFAOYSA-N 1 0 343.431 2.677 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)c1 ZINC001262559091 1316471996 /nfs/dbraw/zinc/47/19/96/1316471996.db2.gz ZRCZYMWWPWRPNB-IBGZPJMESA-N 1 0 339.395 2.794 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001262653101 1316477545 /nfs/dbraw/zinc/47/75/45/1316477545.db2.gz ZQIMKSNOKOMUBR-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001262652918 1316477600 /nfs/dbraw/zinc/47/76/00/1316477600.db2.gz UCAMABFZUQNJGR-SNVBAGLBSA-N 1 0 329.759 2.601 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3C[NH+]4CCC3CC4)c2c1 ZINC001262712530 1316483478 /nfs/dbraw/zinc/48/34/78/1316483478.db2.gz IBPZRLXVOXCHBI-CYBMUJFWSA-N 1 0 333.779 2.698 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC3CCCC3)c2)CC1 ZINC001262812170 1316493210 /nfs/dbraw/zinc/49/32/10/1316493210.db2.gz MYKFJFBVJGXYQM-UHFFFAOYSA-N 1 0 346.431 2.865 20 5 EFBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001263257202 1316524254 /nfs/dbraw/zinc/52/42/54/1316524254.db2.gz OKLFIAQKTKHMRP-MLGOLLRUSA-N 1 0 337.807 2.521 20 5 EFBDRO CCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001263323258 1316530593 /nfs/dbraw/zinc/53/05/93/1316530593.db2.gz LCSKSAHVQPLEGA-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001264012254 1316580082 /nfs/dbraw/zinc/58/00/82/1316580082.db2.gz JZVBRIKXFNBKJJ-LLVKDONJSA-N 1 0 341.383 2.593 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001319388390 1328869607 /nfs/dbraw/zinc/86/96/07/1328869607.db2.gz GARAUSDFTKDBPV-CYBMUJFWSA-N 1 0 340.387 2.547 20 5 EFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319482736 1328899032 /nfs/dbraw/zinc/89/90/32/1328899032.db2.gz LXHXZIPHDFULOU-KRWDZBQOSA-N 1 0 329.400 2.844 20 5 EFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319482737 1328899068 /nfs/dbraw/zinc/89/90/68/1328899068.db2.gz LXHXZIPHDFULOU-QGZVFWFLSA-N 1 0 329.400 2.844 20 5 EFBDRO Cc1nn(CN2CC[NH+](C(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC001319557777 1328916279 /nfs/dbraw/zinc/91/62/79/1328916279.db2.gz JYJAMSOLHOXPKQ-UHFFFAOYSA-N 1 0 331.420 2.627 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC001319887068 1329028515 /nfs/dbraw/zinc/02/85/15/1329028515.db2.gz JBGOANYVFWAFGA-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052096 1329065226 /nfs/dbraw/zinc/06/52/26/1329065226.db2.gz LGICAPIJUVUEHL-OLZOCXBDSA-N 1 0 331.372 2.852 20 5 EFBDRO Cc1c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001320170962 1329099553 /nfs/dbraw/zinc/09/95/53/1329099553.db2.gz QBOISJNAAIUTJK-UHFFFAOYSA-N 1 0 339.307 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CC2)c(Br)c1 ZINC001320408496 1329126561 /nfs/dbraw/zinc/12/65/61/1329126561.db2.gz KLEUYTOSKICTBC-CYBMUJFWSA-N 1 0 329.194 2.608 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001320525688 1329153839 /nfs/dbraw/zinc/15/38/39/1329153839.db2.gz CXHLBIQUGIQESR-QGZVFWFLSA-N 1 0 339.395 2.989 20 5 EFBDRO C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001320795914 1329303061 /nfs/dbraw/zinc/30/30/61/1329303061.db2.gz GOQSEZMMPQSRPI-LBPRGKRZSA-N 1 0 337.339 2.667 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321161140 1329351384 /nfs/dbraw/zinc/35/13/84/1329351384.db2.gz HGJMPLZFRGSZQB-QGZVFWFLSA-N 1 0 344.415 2.637 20 5 EFBDRO C[Si](C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001321652901 1329401228 /nfs/dbraw/zinc/40/12/28/1329401228.db2.gz OFFSDSRNXWWITO-UHFFFAOYSA-N 1 0 344.491 2.583 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001317970112 1328461599 /nfs/dbraw/zinc/46/15/99/1328461599.db2.gz KMQXSOLIBGJFPA-MJBXVCDLSA-N 1 0 348.447 2.733 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001322152924 1329433137 /nfs/dbraw/zinc/43/31/37/1329433137.db2.gz MOINODGYUGFULF-CQSZACIVSA-N 1 0 329.356 2.651 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001322470958 1329460881 /nfs/dbraw/zinc/46/08/81/1329460881.db2.gz YEFKMUAQVXCFRN-AWEZNQCLSA-N 1 0 326.400 2.579 20 5 EFBDRO COc1cc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)ccc1[N+](=O)[O-] ZINC001322536045 1329465920 /nfs/dbraw/zinc/46/59/20/1329465920.db2.gz CNRZDBUZYSKFSL-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001322706200 1329481346 /nfs/dbraw/zinc/48/13/46/1329481346.db2.gz ODYRYYJQNQZKAS-MRXNPFEDSA-N 1 0 326.400 2.797 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001323346020 1329537171 /nfs/dbraw/zinc/53/71/71/1329537171.db2.gz PYAJEOLFZYMWJU-QGZVFWFLSA-N 1 0 339.395 2.989 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001323716243 1329564247 /nfs/dbraw/zinc/56/42/47/1329564247.db2.gz WRARALAROBGJNY-HZSPNIEDSA-N 1 0 340.445 2.550 20 5 EFBDRO C[N@H+](CCC(N)=O)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001323780234 1329569955 /nfs/dbraw/zinc/56/99/55/1329569955.db2.gz GIABHRCRQRVPDW-UHFFFAOYSA-N 1 0 337.763 2.815 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001323990673 1329589732 /nfs/dbraw/zinc/58/97/32/1329589732.db2.gz LRLNSHKXHUQVBL-COXVUDFISA-N 1 0 348.447 2.774 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001324400790 1329623886 /nfs/dbraw/zinc/62/38/86/1329623886.db2.gz VZKBZIRIPQXQCV-HOTGVXAUSA-N 1 0 347.415 2.547 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001324400791 1329624049 /nfs/dbraw/zinc/62/40/49/1329624049.db2.gz VZKBZIRIPQXQCV-HZPDHXFCSA-N 1 0 347.415 2.547 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001324409034 1329624493 /nfs/dbraw/zinc/62/44/93/1329624493.db2.gz IVTGYNSLQIWXIG-SBNBMVPLSA-N 1 0 341.415 2.600 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001324567126 1329640831 /nfs/dbraw/zinc/64/08/31/1329640831.db2.gz UTECKEBNCRNLBU-GXTWGEPZSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001324599408 1329643625 /nfs/dbraw/zinc/64/36/25/1329643625.db2.gz LGEXMNNWEMWRGX-GXTWGEPZSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ccc(NC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001325302397 1329679000 /nfs/dbraw/zinc/67/90/00/1329679000.db2.gz BVOYARJOMOVEGS-UHFFFAOYSA-N 1 0 332.404 2.901 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(Br)c1 ZINC001326050849 1329731206 /nfs/dbraw/zinc/73/12/06/1329731206.db2.gz JQPPZBGRXQEGDI-RISCZKNCSA-N 1 0 341.205 2.968 20 5 EFBDRO [NH3+][C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001326338938 1329748692 /nfs/dbraw/zinc/74/86/92/1329748692.db2.gz MKUQLAYCTRBGPX-QGZVFWFLSA-N 1 0 333.432 2.941 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc3c(c2)CCC3)cc1 ZINC001326583614 1330322037 /nfs/dbraw/zinc/32/20/37/1330322037.db2.gz CFBIYAKPIQTPAD-IBGZPJMESA-N 1 0 342.395 2.786 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001326650137 1330337126 /nfs/dbraw/zinc/33/71/26/1330337126.db2.gz QKMOBHCELBNSRQ-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CCC1CC2 ZINC001327320907 1330458890 /nfs/dbraw/zinc/45/88/90/1330458890.db2.gz NGEKSYZOIURQNN-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001327679036 1330507640 /nfs/dbraw/zinc/50/76/40/1330507640.db2.gz ARIAWBNCSZSSPU-YOEHRIQHSA-N 1 0 334.416 2.597 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1CC1 ZINC001328520803 1330599426 /nfs/dbraw/zinc/59/94/26/1330599426.db2.gz COQRGIUXIFWOBE-ZDUSSCGKSA-N 1 0 335.795 2.944 20 5 EFBDRO Cc1nn(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC001331051841 1330788441 /nfs/dbraw/zinc/78/84/41/1330788441.db2.gz WSFOCNMGVSGKOY-OAHLLOKOSA-N 1 0 343.431 2.744 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC001331147398 1330798816 /nfs/dbraw/zinc/79/88/16/1330798816.db2.gz VMVXIHDPWKLOIT-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001331329459 1330823010 /nfs/dbraw/zinc/82/30/10/1330823010.db2.gz HHPOJLQJLAXHHD-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331384965 1330830684 /nfs/dbraw/zinc/83/06/84/1330830684.db2.gz QTCOATFBYSPNLF-NWDGAFQWSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ccc(CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001331893763 1330885903 /nfs/dbraw/zinc/88/59/03/1330885903.db2.gz RSPUGCBDUMEGTJ-UHFFFAOYSA-N 1 0 346.431 2.578 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001331909562 1330889223 /nfs/dbraw/zinc/88/92/23/1330889223.db2.gz HBSVWQPZCYYDIF-VXGBXAGGSA-N 1 0 343.786 2.990 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001333182828 1331089950 /nfs/dbraw/zinc/08/99/50/1331089950.db2.gz CAMYEKSESMGVAC-IAGOWNOFSA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)c1ccc(C(=O)N(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001333215455 1331094355 /nfs/dbraw/zinc/09/43/55/1331094355.db2.gz PMOKISHXXFDWBA-UHFFFAOYSA-N 1 0 333.310 2.681 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333361892 1331125322 /nfs/dbraw/zinc/12/53/22/1331125322.db2.gz AMPLIWLKKRWJHP-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333380489 1331130457 /nfs/dbraw/zinc/13/04/57/1331130457.db2.gz QXWSFXWLSZQVJU-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001333679675 1331193705 /nfs/dbraw/zinc/19/37/05/1331193705.db2.gz IMMVKBNXMUXSEM-SJKOYZFVSA-N 1 0 346.387 2.956 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076250 1331245619 /nfs/dbraw/zinc/24/56/19/1331245619.db2.gz OCPCJMVDTIAROT-LLVKDONJSA-N 1 0 338.383 2.928 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334279798 1331276984 /nfs/dbraw/zinc/27/69/84/1331276984.db2.gz URUHWPFPCNROCV-VBNZEHGJSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001334937769 1331332020 /nfs/dbraw/zinc/33/20/20/1331332020.db2.gz XGVISGMHHYKIHN-CYBMUJFWSA-N 1 0 329.404 2.966 20 5 EFBDRO C[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001334933924 1331332233 /nfs/dbraw/zinc/33/22/33/1331332233.db2.gz AFTUYNDUCZNALF-LBPRGKRZSA-N 1 0 346.431 2.835 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001335446194 1331348925 /nfs/dbraw/zinc/34/89/25/1331348925.db2.gz YKLQVUBPTCVNBU-MAUKXSAKSA-N 1 0 333.432 2.625 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001335738790 1331396576 /nfs/dbraw/zinc/39/65/76/1331396576.db2.gz GRROEKVMVMSSDS-LJQANCHMSA-N 1 0 339.395 2.574 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001335766729 1331399734 /nfs/dbraw/zinc/39/97/34/1331399734.db2.gz XYMOEWZHHWHTPA-UONOGXRCSA-N 1 0 335.429 2.673 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721451 1331496114 /nfs/dbraw/zinc/49/61/14/1331496114.db2.gz HSJLKAQTNGIPJV-PXAZEXFGSA-N 1 0 340.383 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c(Cl)c1 ZINC001336726388 1331496792 /nfs/dbraw/zinc/49/67/92/1331496792.db2.gz PGARQPPAKCVTBA-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO CCOc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001336735081 1331497896 /nfs/dbraw/zinc/49/78/96/1331497896.db2.gz FADSPNHNQRNJTQ-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccncc2C(F)(F)F)c1 ZINC001336827561 1331505939 /nfs/dbraw/zinc/50/59/39/1331505939.db2.gz YBGREEOIKHVTQT-AWEZNQCLSA-N 1 0 341.289 2.832 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccncc2C(F)(F)F)c1 ZINC001336827564 1331505979 /nfs/dbraw/zinc/50/59/79/1331505979.db2.gz YBGREEOIKHVTQT-CQSZACIVSA-N 1 0 341.289 2.832 20 5 EFBDRO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001336977851 1331523375 /nfs/dbraw/zinc/52/33/75/1331523375.db2.gz NUCRIFVBEPFGKY-CQSZACIVSA-N 1 0 346.431 2.831 20 5 EFBDRO CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001337094452 1331536298 /nfs/dbraw/zinc/53/62/98/1331536298.db2.gz JLFZNHQRASMBAN-LLVKDONJSA-N 1 0 343.836 2.551 20 5 EFBDRO Cc1ccc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001337267874 1331555583 /nfs/dbraw/zinc/55/55/83/1331555583.db2.gz JYYSWSJEGRGBTB-UHFFFAOYSA-N 1 0 335.448 2.822 20 5 EFBDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001338408238 1331705093 /nfs/dbraw/zinc/70/50/93/1331705093.db2.gz MZAXVQCEECGPKN-HNNXBMFYSA-N 1 0 348.424 2.846 20 5 EFBDRO CC[C@@H](C)[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066047 1331782099 /nfs/dbraw/zinc/78/20/99/1331782099.db2.gz OABPJEYPXODFAW-KGLIPLIRSA-N 1 0 348.447 2.967 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340349708 1332178951 /nfs/dbraw/zinc/17/89/51/1332178951.db2.gz NUYLGZUEWUQKKY-HYVNUMGLSA-N 1 0 337.379 2.615 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3n1CC[NH2+][C@@H]3C)CC2 ZINC001340427314 1332192958 /nfs/dbraw/zinc/19/29/58/1332192958.db2.gz DJUCJSORFRRWJB-GFCCVEGCSA-N 1 0 340.383 2.572 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001340857910 1332213208 /nfs/dbraw/zinc/21/32/08/1332213208.db2.gz OGCDGZYLRMYEIE-ZDUSSCGKSA-N 1 0 337.395 2.612 20 5 EFBDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001341485437 1332263058 /nfs/dbraw/zinc/26/30/58/1332263058.db2.gz YYSALKKAVQLDNO-AWEZNQCLSA-N 1 0 349.431 2.728 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341688800 1332277289 /nfs/dbraw/zinc/27/72/89/1332277289.db2.gz MCYGXCQALHBWPK-CHWSQXEVSA-N 1 0 349.456 2.778 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC001341720900 1332279706 /nfs/dbraw/zinc/27/97/06/1332279706.db2.gz SWYAGNYLWNVMKT-UHFFFAOYSA-N 1 0 326.400 2.928 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001341785693 1332283795 /nfs/dbraw/zinc/28/37/95/1332283795.db2.gz CYJGNTHJJVAQBR-BPQIPLTHSA-N 1 0 343.427 2.546 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342016546 1332294873 /nfs/dbraw/zinc/29/48/73/1332294873.db2.gz WMCNEYSJJSTCRN-CQSZACIVSA-N 1 0 335.429 2.721 20 5 EFBDRO [NH3+]C[C@H]1CCCC12CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC001342090387 1332303546 /nfs/dbraw/zinc/30/35/46/1332303546.db2.gz UOJQCJFBFFLYOS-MRXNPFEDSA-N 1 0 345.443 2.895 20 5 EFBDRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC12CCC2)c1ccccc1[N+](=O)[O-] ZINC001342943893 1332336984 /nfs/dbraw/zinc/33/69/84/1332336984.db2.gz NBSQIIHQJZWGCU-DZGCQCFKSA-N 1 0 331.416 2.594 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001343451161 1332347844 /nfs/dbraw/zinc/34/78/44/1332347844.db2.gz AKILQCMBYGQVEZ-KZNAEPCWSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001343451162 1332348173 /nfs/dbraw/zinc/34/81/73/1332348173.db2.gz AKILQCMBYGQVEZ-RCCFBDPRSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343534968 1332354550 /nfs/dbraw/zinc/35/45/50/1332354550.db2.gz YEZXVIYBBZGPNT-MWQQHZPXSA-N 1 0 330.384 2.868 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC001344447692 1332453679 /nfs/dbraw/zinc/45/36/79/1332453679.db2.gz GSNBLMBPBAKEHD-JYJNAYRXSA-N 1 0 331.416 2.830 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001345086177 1332507511 /nfs/dbraw/zinc/50/75/11/1332507511.db2.gz VCDJFBLAZBMZAJ-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001345634576 1332554621 /nfs/dbraw/zinc/55/46/21/1332554621.db2.gz JGYUFKFPMMHOPQ-IRXDYDNUSA-N 1 0 334.347 2.745 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001346122632 1332601857 /nfs/dbraw/zinc/60/18/57/1332601857.db2.gz KXAPULDCMDJGMS-VQIMIIECSA-N 1 0 342.395 2.920 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346218741 1332612868 /nfs/dbraw/zinc/61/28/68/1332612868.db2.gz CBGVWYVOFYVFKL-CYBMUJFWSA-N 1 0 334.420 2.740 20 5 EFBDRO C[C@@](O)(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001346250598 1332618191 /nfs/dbraw/zinc/61/81/91/1332618191.db2.gz GBSSJFNMJJSDRE-ZWKOTPCHSA-N 1 0 330.384 2.516 20 5 EFBDRO CC(C)C(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001346313749 1332624832 /nfs/dbraw/zinc/62/48/32/1332624832.db2.gz SUIFRSIZQXCQSX-UHFFFAOYSA-N 1 0 328.434 2.640 20 5 EFBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC001349323954 1332937874 /nfs/dbraw/zinc/93/78/74/1332937874.db2.gz AJWBKOYKWNBZBX-ZETCQYMHSA-N 1 0 341.165 2.730 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001349874991 1333008072 /nfs/dbraw/zinc/00/80/72/1333008072.db2.gz PTLQUVYRNGRTPK-NSHDSACASA-N 1 0 338.408 2.701 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001350142231 1333040208 /nfs/dbraw/zinc/04/02/08/1333040208.db2.gz CMICWHMFXLBOBY-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001351666922 1333265929 /nfs/dbraw/zinc/26/59/29/1333265929.db2.gz RIJZQVHVRHXGQF-MRXNPFEDSA-N 1 0 346.431 2.753 20 5 EFBDRO CC(C)OC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847076906 1333312563 /nfs/dbraw/zinc/31/25/63/1333312563.db2.gz POFLTSANUNOLHT-CVEARBPZSA-N 1 0 338.404 2.584 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000847256727 1333451777 /nfs/dbraw/zinc/45/17/77/1333451777.db2.gz RJBWLVOCENORSP-HIFRSBDPSA-N 1 0 337.807 2.995 20 5 EFBDRO CC(C)[N@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001354266338 1334202667 /nfs/dbraw/zinc/20/26/67/1334202667.db2.gz LKBFTDNSJCDBIQ-UHFFFAOYSA-N 1 0 339.411 2.653 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC001354604403 1334404439 /nfs/dbraw/zinc/40/44/39/1334404439.db2.gz RPGIOQXLBDMQEH-ZJUUUORDSA-N 1 0 329.194 2.872 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCOC1 ZINC001354604400 1334404574 /nfs/dbraw/zinc/40/45/74/1334404574.db2.gz RPGIOQXLBDMQEH-NXEZZACHSA-N 1 0 329.194 2.872 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848397175 1334706578 /nfs/dbraw/zinc/70/65/78/1334706578.db2.gz VKZHUHSRMHXGGC-BBRMVZONSA-N 1 0 337.807 2.596 20 5 EFBDRO CC1(C)C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCCO1 ZINC000848478527 1334737412 /nfs/dbraw/zinc/73/74/12/1334737412.db2.gz JEPTYOIHNZNJRG-UHFFFAOYSA-N 1 0 330.388 2.917 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481007 1334738842 /nfs/dbraw/zinc/73/88/42/1334738842.db2.gz UNYIANJQAVWIBQ-OAHLLOKOSA-N 1 0 343.431 2.689 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483113 1334739576 /nfs/dbraw/zinc/73/95/76/1334739576.db2.gz YRQCAVSNCZNPSY-HIFRSBDPSA-N 1 0 330.388 2.651 20 5 EFBDRO C[C@@]1(O)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487741 1334744244 /nfs/dbraw/zinc/74/42/44/1334744244.db2.gz VWPDOLIWIXIAKO-QGZVFWFLSA-N 1 0 330.388 2.653 20 5 EFBDRO CCOC(=O)CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000848502704 1334761694 /nfs/dbraw/zinc/76/16/94/1334761694.db2.gz WXLBDJYYVWUURK-UHFFFAOYSA-N 1 0 348.403 2.874 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848520160 1334770858 /nfs/dbraw/zinc/77/08/58/1334770858.db2.gz WQRGIVNMULGJIO-AEFFLSMTSA-N 1 0 328.368 2.914 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557095 1334793587 /nfs/dbraw/zinc/79/35/87/1334793587.db2.gz CKWVAPUUYJQZCB-BZNIZROVSA-N 1 0 340.383 2.781 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000848942073 1334999332 /nfs/dbraw/zinc/99/93/32/1334999332.db2.gz VPUSBXYKNLUJNG-UHFFFAOYSA-N 1 0 335.379 2.791 20 5 EFBDRO COc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001356534368 1335049912 /nfs/dbraw/zinc/04/99/12/1335049912.db2.gz LZVSSLDQXZEKCA-HOTGVXAUSA-N 1 0 344.367 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC23CCCCC3)cc1 ZINC001356609502 1335063005 /nfs/dbraw/zinc/06/30/05/1335063005.db2.gz PIEMNQIOXBJWQL-OAHLLOKOSA-N 1 0 338.429 2.681 20 5 EFBDRO C[C@@](O)(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001356610578 1335063551 /nfs/dbraw/zinc/06/35/51/1335063551.db2.gz SNTOGGRKHMPPNA-QZTJIDSGSA-N 1 0 330.384 2.516 20 5 EFBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F ZINC000849081413 1335071871 /nfs/dbraw/zinc/07/18/71/1335071871.db2.gz XJKWQEUJEFGPDX-UHFFFAOYSA-N 1 0 336.298 2.888 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001357291338 1335297113 /nfs/dbraw/zinc/29/71/13/1335297113.db2.gz KRUSNTLQRUKEGT-UKRRQHHQSA-N 1 0 334.420 2.748 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001357582277 1335318183 /nfs/dbraw/zinc/31/81/83/1335318183.db2.gz NMAYVWFESKFGDD-CXAGYDPISA-N 1 0 346.431 2.829 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358094940 1335360556 /nfs/dbraw/zinc/36/05/56/1335360556.db2.gz XVRRJZYOGMQSFF-VXGBXAGGSA-N 1 0 337.445 2.764 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001358394686 1335376083 /nfs/dbraw/zinc/37/60/83/1335376083.db2.gz RHIWSYMXJHYNIY-GDZNZVCISA-N 1 0 349.456 2.805 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CCC1 ZINC001020440752 713007685 /nfs/dbraw/zinc/00/76/85/713007685.db2.gz QFIQYYVNZUSMKF-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020475070 713053294 /nfs/dbraw/zinc/05/32/94/713053294.db2.gz ZSVQKOYDFOPDSX-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020550879 713154807 /nfs/dbraw/zinc/15/48/07/713154807.db2.gz SHBVGOCERMEWGO-JOCQHMNTSA-N 1 0 349.412 2.862 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020550886 713154658 /nfs/dbraw/zinc/15/46/58/713154658.db2.gz SSNHHONMMAFPRJ-SHTZXODSSA-N 1 0 343.383 2.801 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000804812220 713478913 /nfs/dbraw/zinc/47/89/13/713478913.db2.gz LBSPZBWWYAZPLP-UHFFFAOYSA-N 1 0 342.355 2.824 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000307876726 714313561 /nfs/dbraw/zinc/31/35/61/714313561.db2.gz VORBIFRGFQGKNL-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000160662866 714398068 /nfs/dbraw/zinc/39/80/68/714398068.db2.gz NNSKWGUNPZAYQT-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000891347052 714433098 /nfs/dbraw/zinc/43/30/98/714433098.db2.gz GCPCBPHCWZLQQS-UHFFFAOYSA-N 1 0 345.403 2.813 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1 ZINC001021777217 714462892 /nfs/dbraw/zinc/46/28/92/714462892.db2.gz GSZVCQWGQCNUJT-IYBDPMFKSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021782055 714472037 /nfs/dbraw/zinc/47/20/37/714472037.db2.gz IGXBDQKMHHZVJE-OKILXGFUSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001021784765 714475028 /nfs/dbraw/zinc/47/50/28/714475028.db2.gz TXPPVBIRPDDQEF-IYBDPMFKSA-N 1 0 325.368 2.645 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)o1 ZINC001021842459 714553596 /nfs/dbraw/zinc/55/35/96/714553596.db2.gz BMRBHMBCESRDHV-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000933426046 714774041 /nfs/dbraw/zinc/77/40/41/714774041.db2.gz TUOHGZQJXIGVNF-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000891493865 714783499 /nfs/dbraw/zinc/78/34/99/714783499.db2.gz YPVPYLIZECOSAE-ZDUSSCGKSA-N 1 0 332.360 2.840 20 5 EFBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891499603 714787255 /nfs/dbraw/zinc/78/72/55/714787255.db2.gz WCEAGRMBCASDPB-CQSZACIVSA-N 1 0 345.403 2.586 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001022295070 714981295 /nfs/dbraw/zinc/98/12/95/714981295.db2.gz GNGXWLQXAYKTAK-TXEJJXNPSA-N 1 0 349.412 2.862 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000891735686 714984336 /nfs/dbraw/zinc/98/43/36/714984336.db2.gz LWMGKMAYWYTCQJ-UHFFFAOYSA-N 1 0 329.404 2.577 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001022508631 715192506 /nfs/dbraw/zinc/19/25/06/715192506.db2.gz VADWHHVICFGMEZ-GASCZTMLSA-N 1 0 331.416 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(O)c(F)c3)C2)nc1 ZINC000892078627 715244080 /nfs/dbraw/zinc/24/40/80/715244080.db2.gz PAFWCIPLHMUJSM-LBPRGKRZSA-N 1 0 332.335 2.521 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892144251 715273017 /nfs/dbraw/zinc/27/30/17/715273017.db2.gz MODZYTNWXLLMGD-GFCCVEGCSA-N 1 0 335.433 2.714 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001022686033 715304941 /nfs/dbraw/zinc/30/49/41/715304941.db2.gz AWZJVCCDSGICJO-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934321540 715335488 /nfs/dbraw/zinc/33/54/88/715335488.db2.gz CWJSUANDSRBXSN-UBDQQSCGSA-N 1 0 343.427 2.784 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000727708862 724390008 /nfs/dbraw/zinc/39/00/08/724390008.db2.gz MZVJCRRQTJNKQL-WDEREUQCSA-N 1 0 341.358 2.866 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934547724 715634146 /nfs/dbraw/zinc/63/41/46/715634146.db2.gz IDPDQXQYHYXMNT-JLSDUUJJSA-N 1 0 345.443 2.792 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000934574377 715685538 /nfs/dbraw/zinc/68/55/38/715685538.db2.gz GIHRQOHATVUPAF-QMTHXVAHSA-N 1 0 335.429 2.529 20 5 EFBDRO COc1c(O)ccc(CNCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000893533929 716815857 /nfs/dbraw/zinc/81/58/57/716815857.db2.gz DMFFBAJZGMVDSF-CYBMUJFWSA-N 1 0 337.420 2.663 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892402436 717048211 /nfs/dbraw/zinc/04/82/11/717048211.db2.gz PCOVOXHXZAGSKR-LBPRGKRZSA-N 1 0 344.367 2.650 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478902 724155016 /nfs/dbraw/zinc/15/50/16/724155016.db2.gz HMQIYKFRHOTHJJ-AWEZNQCLSA-N 1 0 349.431 2.521 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255692780 717418295 /nfs/dbraw/zinc/41/82/95/717418295.db2.gz QYKVRSQTKZJFKG-QIENPNARSA-N 1 0 331.416 2.989 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000310209440 717456103 /nfs/dbraw/zinc/45/61/03/717456103.db2.gz IOUQFEPRKCFLFM-AWEZNQCLSA-N 1 0 343.358 2.738 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000310209441 717456288 /nfs/dbraw/zinc/45/62/88/717456288.db2.gz IOUQFEPRKCFLFM-CQSZACIVSA-N 1 0 343.358 2.738 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000177643022 718145698 /nfs/dbraw/zinc/14/56/98/718145698.db2.gz AMIHSUIHALEVLC-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000892588169 718315091 /nfs/dbraw/zinc/31/50/91/718315091.db2.gz BIECQTBSLLBIFR-BTTYYORXSA-N 1 0 346.431 2.660 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935798017 718345316 /nfs/dbraw/zinc/34/53/16/718345316.db2.gz OAPQESAZOQMYFG-DLBZAZTESA-N 1 0 331.416 2.643 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000892617793 718348362 /nfs/dbraw/zinc/34/83/62/718348362.db2.gz BVGPLAIEGCYYFS-ZDUSSCGKSA-N 1 0 334.376 2.958 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)cc1C ZINC000892679850 718591372 /nfs/dbraw/zinc/59/13/72/718591372.db2.gz RXEOCOBGLCZADZ-AWEZNQCLSA-N 1 0 345.399 2.530 20 5 EFBDRO CC(C)=CC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981592926 718856991 /nfs/dbraw/zinc/85/69/91/718856991.db2.gz KLUSJTRLRVAJSE-UHFFFAOYSA-N 1 0 343.427 2.985 20 5 EFBDRO CC(C)=CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981593252 718857657 /nfs/dbraw/zinc/85/76/57/718857657.db2.gz UTLKHFQAMZBFCT-UHFFFAOYSA-N 1 0 343.427 2.985 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893654195 719153076 /nfs/dbraw/zinc/15/30/76/719153076.db2.gz FPCORWUNHWYRMS-GFCCVEGCSA-N 1 0 327.768 2.569 20 5 EFBDRO C[C@@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC001164632210 719178227 /nfs/dbraw/zinc/17/82/27/719178227.db2.gz DIGYNTYYYFHPJE-ZJUUUORDSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164634156 719178567 /nfs/dbraw/zinc/17/85/67/719178567.db2.gz ILDFHUXHOQHSOH-NXEZZACHSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000892821217 719213697 /nfs/dbraw/zinc/21/36/97/719213697.db2.gz SFHMSMPFOAVWFB-HIFRSBDPSA-N 1 0 329.404 2.651 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892824458 719218802 /nfs/dbraw/zinc/21/88/02/719218802.db2.gz QZFYPCUNCJIYAY-OLZOCXBDSA-N 1 0 344.415 2.731 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634120 719223251 /nfs/dbraw/zinc/22/32/51/719223251.db2.gz FTSNKOJEEPFOIO-ZIAGYGMSSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164638494 719256537 /nfs/dbraw/zinc/25/65/37/719256537.db2.gz ZZBJMTKPQZGBGA-UWVGGRQHSA-N 1 0 335.795 2.720 20 5 EFBDRO O=C(CC1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025657799 719290728 /nfs/dbraw/zinc/29/07/28/719290728.db2.gz JKCQGPFGUABMTE-MNZLEMJZSA-N 1 0 343.427 2.722 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019954561 719416126 /nfs/dbraw/zinc/41/61/26/719416126.db2.gz YWEGEHUIAGVTTC-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO CCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982178883 719631457 /nfs/dbraw/zinc/63/14/57/719631457.db2.gz WRYMPZLNQPXVJW-HDICACEKSA-N 1 0 331.416 2.675 20 5 EFBDRO CN(C)c1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000894063317 720258841 /nfs/dbraw/zinc/25/88/41/720258841.db2.gz LPOIBHMOFIRLOZ-CQSZACIVSA-N 1 0 327.388 2.835 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721414 720334301 /nfs/dbraw/zinc/33/43/01/720334301.db2.gz BYQMKXOABCVMSD-SJORKVTESA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721411 720334610 /nfs/dbraw/zinc/33/46/10/720334610.db2.gz BYQMKXOABCVMSD-IAGOWNOFSA-N 1 0 339.399 2.546 20 5 EFBDRO COc1c(O)ccc(CNCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000893329593 720672366 /nfs/dbraw/zinc/67/23/66/720672366.db2.gz FGLXBPUIFNAMOV-UHFFFAOYSA-N 1 0 345.399 2.660 20 5 EFBDRO C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067273430 721146509 /nfs/dbraw/zinc/14/65/09/721146509.db2.gz CPIGNKSQSAEDHA-PXTSUWAFSA-N 1 0 331.416 2.845 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000985642292 724745493 /nfs/dbraw/zinc/74/54/93/724745493.db2.gz USHXEIQNMGVOKC-UHFFFAOYSA-N 1 0 349.406 2.767 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1Cl ZINC001164772601 721284988 /nfs/dbraw/zinc/28/49/88/721284988.db2.gz JSKQTYSHUUGRQN-UHFFFAOYSA-N 1 0 336.823 2.874 20 5 EFBDRO CC(C)Oc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164768898 721300224 /nfs/dbraw/zinc/30/02/24/721300224.db2.gz JPCLLUJVHGWCPA-UHFFFAOYSA-N 1 0 346.431 2.699 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2[NH2+]CCc3ccccc32)nc2sccn21 ZINC000261810835 721713872 /nfs/dbraw/zinc/71/38/72/721713872.db2.gz GNGBRTZPDRORAH-LBPRGKRZSA-N 1 0 329.385 2.603 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261851128 721789996 /nfs/dbraw/zinc/78/99/96/721789996.db2.gz SUORPRRVSFWPCO-UHFFFAOYSA-N 1 0 329.360 2.947 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000983083463 721793331 /nfs/dbraw/zinc/79/33/31/721793331.db2.gz HLNUWDOTWITHOF-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000983087113 721796431 /nfs/dbraw/zinc/79/64/31/721796431.db2.gz WQFMWEQGHYAAOY-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO COCCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894273519 721872403 /nfs/dbraw/zinc/87/24/03/721872403.db2.gz RZNRQVOKNMXRKN-UHFFFAOYSA-N 1 0 334.372 2.888 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983181677 721881221 /nfs/dbraw/zinc/88/12/21/721881221.db2.gz XVQNOIUGJQJIKO-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001165037843 721897209 /nfs/dbraw/zinc/89/72/09/721897209.db2.gz ZMXLIILBAYBJTL-ZDUSSCGKSA-N 1 0 327.388 2.582 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001165040813 721930899 /nfs/dbraw/zinc/93/08/99/721930899.db2.gz OTZAGROOGXQPAH-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000894299401 722002703 /nfs/dbraw/zinc/00/27/03/722002703.db2.gz FFISWRFEJBTIAT-UHFFFAOYSA-N 1 0 336.388 2.702 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917525474 728751016 /nfs/dbraw/zinc/75/10/16/728751016.db2.gz VRJNCBXBJMKHIF-UHFFFAOYSA-N 1 0 333.392 2.689 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCCc2cccc(C)n2)c1[N+](=O)[O-] ZINC000894390689 722687455 /nfs/dbraw/zinc/68/74/55/722687455.db2.gz MEGZZCQZTPPJTL-UHFFFAOYSA-N 1 0 331.372 2.735 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000894412211 722719584 /nfs/dbraw/zinc/71/95/84/722719584.db2.gz ILFKRBVISLJIME-JSGCOSHPSA-N 1 0 338.404 2.825 20 5 EFBDRO CCC(CC)[NH2+]CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894413551 722721848 /nfs/dbraw/zinc/72/18/48/722721848.db2.gz MNCLPMTVGCPZRB-UHFFFAOYSA-N 1 0 332.404 2.637 20 5 EFBDRO COCC(C)(C)CCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894508453 722762443 /nfs/dbraw/zinc/76/24/43/722762443.db2.gz LLQYRTHWBZHVAP-UHFFFAOYSA-N 1 0 326.393 2.851 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000894555065 722781422 /nfs/dbraw/zinc/78/14/22/722781422.db2.gz PMZRFOZXTKNDOK-AWEZNQCLSA-N 1 0 344.367 2.711 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894971351 723039265 /nfs/dbraw/zinc/03/92/65/723039265.db2.gz JRPOEJBNJLXPLV-XYPYZODXSA-N 1 0 325.796 2.630 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000895014063 723050595 /nfs/dbraw/zinc/05/05/95/723050595.db2.gz YGDMDMCMIDGMFH-PINLSGDHSA-N 1 0 327.388 2.914 20 5 EFBDRO COCC1C[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000895971185 723077160 /nfs/dbraw/zinc/07/71/60/723077160.db2.gz NAYPYMIQUPTSKB-UHFFFAOYSA-N 1 0 332.356 2.942 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000896260660 723221239 /nfs/dbraw/zinc/22/12/39/723221239.db2.gz ULEPRGWRTPVNHW-OAHLLOKOSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1C ZINC000896260659 723221301 /nfs/dbraw/zinc/22/13/01/723221301.db2.gz ULEPRGWRTPVNHW-HNNXBMFYSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC000983953101 723273712 /nfs/dbraw/zinc/27/37/12/723273712.db2.gz VVWNLIQTWLXBIY-SAZUREKKSA-N 1 0 343.427 2.769 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@@H](C)[C@@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000262139521 723374850 /nfs/dbraw/zinc/37/48/50/723374850.db2.gz YYGQPZCJUNRSKH-ABAIWWIYSA-N 1 0 331.372 2.642 20 5 EFBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1[N+](=O)[O-] ZINC000896827740 723509587 /nfs/dbraw/zinc/50/95/87/723509587.db2.gz BSIKMTLZCGQGPC-LLVKDONJSA-N 1 0 344.367 2.922 20 5 EFBDRO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029395650 723808675 /nfs/dbraw/zinc/80/86/75/723808675.db2.gz ZOYYZLYQVGLVDL-CALCHBBNSA-N 1 0 343.427 2.960 20 5 EFBDRO C[C@@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248381 723937309 /nfs/dbraw/zinc/93/73/09/723937309.db2.gz KSXIYKDLWUVFRY-SKDRFNHKSA-N 1 0 347.246 2.948 20 5 EFBDRO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249719 723938471 /nfs/dbraw/zinc/93/84/71/723938471.db2.gz VADKNPQETWQUDN-GXFFZTMASA-N 1 0 346.353 2.660 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000897016580 723946439 /nfs/dbraw/zinc/94/64/39/723946439.db2.gz JEHKBCALEKJJDF-GJZGRUSLSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895278800 723977494 /nfs/dbraw/zinc/97/74/94/723977494.db2.gz OSFLPEKZZYVKIM-ZDUSSCGKSA-N 1 0 340.383 2.649 20 5 EFBDRO Cc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000895279531 723977903 /nfs/dbraw/zinc/97/79/03/723977903.db2.gz VIYXJRKTHXDTND-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000895280025 723978533 /nfs/dbraw/zinc/97/85/33/723978533.db2.gz YZOPANRBWSVBPB-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO CCCC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985213286 723993485 /nfs/dbraw/zinc/99/34/85/723993485.db2.gz OLMUCINJHWFYNU-UHFFFAOYSA-N 1 0 325.434 2.879 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985263080 724033415 /nfs/dbraw/zinc/03/34/15/724033415.db2.gz INLHJBXDOAJNSH-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895327499 724040254 /nfs/dbraw/zinc/04/02/54/724040254.db2.gz DEMWQGPYYHHKRX-SJKOYZFVSA-N 1 0 348.424 2.641 20 5 EFBDRO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000897249480 724121830 /nfs/dbraw/zinc/12/18/30/724121830.db2.gz WFXGTOAJGJPEAL-UHFFFAOYSA-N 1 0 348.403 2.695 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897262069 724145593 /nfs/dbraw/zinc/14/55/93/724145593.db2.gz UFJHYVCNUKXGJH-IMMZDGJCSA-N 1 0 332.400 2.614 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000985358584 724166383 /nfs/dbraw/zinc/16/63/83/724166383.db2.gz ZOBIWQAPGIEPBA-CMDGGOBGSA-N 1 0 343.427 2.984 20 5 EFBDRO Cc1cc(N2CC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000895525555 724178044 /nfs/dbraw/zinc/17/80/44/724178044.db2.gz YGOVGUMOJCYYLW-LBPRGKRZSA-N 1 0 329.356 2.651 20 5 EFBDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707717 724266917 /nfs/dbraw/zinc/26/69/17/724266917.db2.gz MPNYELFYVFEUOG-LMVHVUTASA-N 1 0 348.321 2.836 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000728900858 724877586 /nfs/dbraw/zinc/87/75/86/724877586.db2.gz VMSSDVXNTMRNRC-GOSISDBHSA-N 1 0 341.415 2.586 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925224057 724906638 /nfs/dbraw/zinc/90/66/38/724906638.db2.gz DHCIAIXLPOXQLL-CQSZACIVSA-N 1 0 336.436 2.885 20 5 EFBDRO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925232919 725005069 /nfs/dbraw/zinc/00/50/69/725005069.db2.gz QDFDKYHPRDYENZ-CYBMUJFWSA-N 1 0 334.420 2.639 20 5 EFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000925383312 725699944 /nfs/dbraw/zinc/69/99/44/725699944.db2.gz RWIITTMTBVGPFH-JTQLQIEISA-N 1 0 329.194 2.879 20 5 EFBDRO Cc1ccc([C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174734718 725964726 /nfs/dbraw/zinc/96/47/26/725964726.db2.gz QRISVPDDFOLYLT-LJQANCHMSA-N 1 0 341.411 2.759 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152627257 726199302 /nfs/dbraw/zinc/19/93/02/726199302.db2.gz JJGAKHRYWWECFU-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000914247276 726199569 /nfs/dbraw/zinc/19/95/69/726199569.db2.gz BMOCXGCKSYBFFJ-CYBMUJFWSA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000897442535 726210015 /nfs/dbraw/zinc/21/00/15/726210015.db2.gz XLQVTMCPIDVNBS-CQSZACIVSA-N 1 0 346.431 2.611 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000897442534 726210400 /nfs/dbraw/zinc/21/04/00/726210400.db2.gz XLQVTMCPIDVNBS-AWEZNQCLSA-N 1 0 346.431 2.611 20 5 EFBDRO Nc1ccc(C(=O)NCCCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000729341297 726317262 /nfs/dbraw/zinc/31/72/62/726317262.db2.gz QFDRVBMFYQPXMU-UHFFFAOYSA-N 1 0 348.447 2.953 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000897504684 726348668 /nfs/dbraw/zinc/34/86/68/726348668.db2.gz DVVGUWOBOMTNCO-ZDUSSCGKSA-N 1 0 334.420 2.613 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907518284 726962599 /nfs/dbraw/zinc/96/25/99/726962599.db2.gz DWGILBNTPFEPNO-GHMZBOCLSA-N 1 0 329.759 2.600 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907616076 726982821 /nfs/dbraw/zinc/98/28/21/726982821.db2.gz WUNIFUQRBYCKAE-UHFFFAOYSA-N 1 0 343.786 2.944 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000915449398 726988468 /nfs/dbraw/zinc/98/84/68/726988468.db2.gz YKDHZVFDZZACLQ-AWEZNQCLSA-N 1 0 336.388 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccco4)C3)n2)cc1 ZINC000732182991 727001461 /nfs/dbraw/zinc/00/14/61/727001461.db2.gz KRCNGGUTMWAAIS-CQSZACIVSA-N 1 0 339.355 2.893 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000888281372 727081094 /nfs/dbraw/zinc/08/10/94/727081094.db2.gz WEUVEDWPIYCUMK-SECBINFHSA-N 1 0 328.800 2.876 20 5 EFBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000915600643 727100922 /nfs/dbraw/zinc/10/09/22/727100922.db2.gz UJDWPORMWXUMBD-UHUXCJHTSA-N 1 0 331.416 2.987 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCO1 ZINC000130435322 727260176 /nfs/dbraw/zinc/26/01/76/727260176.db2.gz SFAWGXBEEHJWST-UKRRQHHQSA-N 1 0 339.367 2.610 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910270151 727425465 /nfs/dbraw/zinc/42/54/65/727425465.db2.gz LALBHDIDLKLYBR-XOKHGSTOSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C1 ZINC000910282793 727427186 /nfs/dbraw/zinc/42/71/86/727427186.db2.gz IWGYHMNLZNCOFP-ZDUSSCGKSA-N 1 0 342.399 2.699 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286677 727427672 /nfs/dbraw/zinc/42/76/72/727427672.db2.gz KLZNESYLDMVRQG-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910286678 727427783 /nfs/dbraw/zinc/42/77/83/727427783.db2.gz KLZNESYLDMVRQG-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910293805 727430980 /nfs/dbraw/zinc/43/09/80/727430980.db2.gz APYYNIBKPLXQPW-ZDUSSCGKSA-N 1 0 346.431 2.725 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911736798 727590421 /nfs/dbraw/zinc/59/04/21/727590421.db2.gz OKAGHSAHUXDRIL-ROUUACIJSA-N 1 0 339.395 2.516 20 5 EFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cccc2c1CC[NH2+]C2 ZINC000911788586 727600081 /nfs/dbraw/zinc/60/00/81/727600081.db2.gz CBUDACPUIZPUGD-UHFFFAOYSA-N 1 0 343.358 2.951 20 5 EFBDRO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000911819257 727603072 /nfs/dbraw/zinc/60/30/72/727603072.db2.gz OKIOVYFOZYMFBI-ZACQAIPSSA-N 1 0 331.416 2.722 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911871038 727609622 /nfs/dbraw/zinc/60/96/22/727609622.db2.gz QQSFKUPVKZAJTN-ZDUSSCGKSA-N 1 0 325.434 2.762 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000912578562 727726881 /nfs/dbraw/zinc/72/68/81/727726881.db2.gz YXPSYRLARUODCP-UHFFFAOYSA-N 1 0 335.404 2.694 20 5 EFBDRO CC1CCN(c2ccc(C(=O)OCCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000912594591 727727804 /nfs/dbraw/zinc/72/78/04/727727804.db2.gz WHGSUTDVZPEFBK-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000912807534 727745112 /nfs/dbraw/zinc/74/51/12/727745112.db2.gz LUSVTLDHHMUUPZ-BLLLJJGKSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912813116 727746618 /nfs/dbraw/zinc/74/66/18/727746618.db2.gz FWWSNTJOSABAIC-WMLDXEAASA-N 1 0 349.431 2.552 20 5 EFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912812140 727747552 /nfs/dbraw/zinc/74/75/52/727747552.db2.gz SNJRTHNYNBQGJD-ZFWWWQNUSA-N 1 0 349.431 2.796 20 5 EFBDRO CNc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912815159 727748882 /nfs/dbraw/zinc/74/88/82/727748882.db2.gz IKFIAJRRYOYVIF-BBRMVZONSA-N 1 0 348.447 2.829 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912816040 727749020 /nfs/dbraw/zinc/74/90/20/727749020.db2.gz TXNYDLNBOYTODW-HUUCEWRRSA-N 1 0 349.431 2.552 20 5 EFBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917078533 727765270 /nfs/dbraw/zinc/76/52/70/727765270.db2.gz LJOHCEZPEMRGBB-UHFFFAOYSA-N 1 0 333.392 2.689 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917092046 727767710 /nfs/dbraw/zinc/76/77/10/727767710.db2.gz JLVJLEBCRKGXCV-UHFFFAOYSA-N 1 0 333.392 2.688 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000913098179 727781243 /nfs/dbraw/zinc/78/12/43/727781243.db2.gz ZVAKLUROEKYTGW-DOTOQJQBSA-N 1 0 347.459 2.849 20 5 EFBDRO Cc1nn(CN2CCC[N@H+](CC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000151444233 727861071 /nfs/dbraw/zinc/86/10/71/727861071.db2.gz MKAXHAXEJJDTCS-UHFFFAOYSA-N 1 0 349.479 2.954 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000164254900 727922827 /nfs/dbraw/zinc/92/28/27/727922827.db2.gz IYGGVTNOJJMNEA-IUODEOHRSA-N 1 0 335.379 2.599 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164254669 727922884 /nfs/dbraw/zinc/92/28/84/727922884.db2.gz IYGGVTNOJJMNEA-DOMZBBRYSA-N 1 0 335.379 2.599 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000129613073 727951391 /nfs/dbraw/zinc/95/13/91/727951391.db2.gz GILGTGAIPCLWDY-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165829245 728072167 /nfs/dbraw/zinc/07/21/67/728072167.db2.gz UVUCNMOCRDELSU-NXEZZACHSA-N 1 0 343.225 2.990 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)co1 ZINC000991678887 728257911 /nfs/dbraw/zinc/25/79/11/728257911.db2.gz GMNOQCUBACQIDX-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000841102415 728301684 /nfs/dbraw/zinc/30/16/84/728301684.db2.gz BXVCJCULPVXCDH-CABZTGNLSA-N 1 0 326.784 2.839 20 5 EFBDRO C[NH+](C)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000070790023 728407397 /nfs/dbraw/zinc/40/73/97/728407397.db2.gz LIESUTDRFWGHAT-AWEZNQCLSA-N 1 0 325.372 2.957 20 5 EFBDRO Cc1cccc2c1CCN(Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000170903950 728493485 /nfs/dbraw/zinc/49/34/85/728493485.db2.gz ZAWPVTSXYOVWBB-UHFFFAOYSA-N 1 0 339.351 2.827 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000929407232 728519215 /nfs/dbraw/zinc/51/92/15/728519215.db2.gz CHJAXTXUXBVCKA-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172511893 728594294 /nfs/dbraw/zinc/59/42/94/728594294.db2.gz KMXGJMZPPSZLRO-UHFFFAOYSA-N 1 0 343.431 2.852 20 5 EFBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C1CC1)C1CC1 ZINC000172899666 728609669 /nfs/dbraw/zinc/60/96/69/728609669.db2.gz RUEKTYNTNBSPFV-UHFFFAOYSA-N 1 0 327.388 2.931 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000231078069 728612974 /nfs/dbraw/zinc/61/29/74/728612974.db2.gz UMHYAQRDTZBHIC-LLVKDONJSA-N 1 0 331.210 2.854 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000173429970 728626013 /nfs/dbraw/zinc/62/60/13/728626013.db2.gz FCRJTQHCLYURDT-CQSZACIVSA-N 1 0 331.420 2.566 20 5 EFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1[N+](=O)[O-] ZINC000173549308 728629286 /nfs/dbraw/zinc/62/92/86/728629286.db2.gz MPXXYTDXNNAHAK-KRWDZBQOSA-N 1 0 343.431 2.593 20 5 EFBDRO Cc1coc(C)c1C(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001031646897 729148421 /nfs/dbraw/zinc/14/84/21/729148421.db2.gz JYYCWASUIXEUFP-UHFFFAOYSA-N 1 0 343.383 2.666 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000920213482 729161938 /nfs/dbraw/zinc/16/19/38/729161938.db2.gz RUKMTYWVRSUDRW-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO Cc1sccc1C(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001031658146 729180040 /nfs/dbraw/zinc/18/00/40/729180040.db2.gz QFTAPPFPNFIPKP-UHFFFAOYSA-N 1 0 345.424 2.827 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000921388891 729303557 /nfs/dbraw/zinc/30/35/57/729303557.db2.gz VHKLPTAANMYMHB-CHWSQXEVSA-N 1 0 336.436 2.931 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000921426933 729451966 /nfs/dbraw/zinc/45/19/66/729451966.db2.gz PORCOKCBAHVACB-HUUCEWRRSA-N 1 0 348.447 2.933 20 5 EFBDRO Cc1cn(CN2CC[C@@H](C)[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000174960966 729468937 /nfs/dbraw/zinc/46/89/37/729468937.db2.gz IVMQEYUAYGMAJL-OCCSQVGLSA-N 1 0 330.388 2.543 20 5 EFBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519765 729524298 /nfs/dbraw/zinc/52/42/98/729524298.db2.gz WBXMQCGELDKQBK-CABCVRRESA-N 1 0 337.395 2.955 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000873191971 1126119896 /nfs/dbraw/zinc/11/98/96/1126119896.db2.gz VHSMBFBIJUGMTM-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931602497 1126136231 /nfs/dbraw/zinc/13/62/31/1126136231.db2.gz FKZQLCSLPAHCPQ-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000933433856 1126140155 /nfs/dbraw/zinc/14/01/55/1126140155.db2.gz XNFHEUFKTDAVFB-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575049933 1088215423 /nfs/dbraw/zinc/21/54/23/1088215423.db2.gz VWOFWEKLVGQMEJ-CZXHOFHRSA-N 1 0 337.395 2.812 20 5 EFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001575115879 1088249829 /nfs/dbraw/zinc/24/98/29/1088249829.db2.gz MEMLQPWAJSDSGC-SFHVURJKSA-N 1 0 346.431 2.681 20 5 EFBDRO CC(C)([NH3+])CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575354270 1088409973 /nfs/dbraw/zinc/40/99/73/1088409973.db2.gz LGKZWANICXMQJG-UHFFFAOYSA-N 1 0 328.372 2.514 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001575798039 1088697308 /nfs/dbraw/zinc/69/73/08/1088697308.db2.gz CCDXCJXEHOBCID-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575943494 1088793022 /nfs/dbraw/zinc/79/30/22/1088793022.db2.gz XIYHVHGDDGVAHL-CYBMUJFWSA-N 1 0 342.399 2.904 20 5 EFBDRO C[C@H]1C[C@H](CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001576589491 1089339605 /nfs/dbraw/zinc/33/96/05/1089339605.db2.gz QFKBBBLIDKULAR-KHSSZTOVSA-N 1 0 333.432 2.957 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC001576596567 1089343290 /nfs/dbraw/zinc/34/32/90/1089343290.db2.gz YTWBAIYAVAIFNY-AGIUHOORSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC001576807629 1089469703 /nfs/dbraw/zinc/46/97/03/1089469703.db2.gz SHYYDOQNKDWIPG-YUMQZZPRSA-N 1 0 334.239 2.601 20 5 EFBDRO CCC(CC)(C[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001577051170 1089616630 /nfs/dbraw/zinc/61/66/30/1089616630.db2.gz IUKOZZGXGCNLJX-UHFFFAOYSA-N 1 0 347.337 2.995 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001577096492 1089649600 /nfs/dbraw/zinc/64/96/00/1089649600.db2.gz OQKCLFAHIGGNJA-IIDMSEBBSA-N 1 0 331.416 2.503 20 5 EFBDRO CCOc1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001578168370 1090287929 /nfs/dbraw/zinc/28/79/29/1090287929.db2.gz KXAOOLDUXGUKDP-KRWDZBQOSA-N 1 0 348.403 2.601 20 5 EFBDRO CC[C@@H](NC(=O)C[C@@H]([NH3+])CCSC)c1cccc([N+](=O)[O-])c1 ZINC001578223958 1090313175 /nfs/dbraw/zinc/31/31/75/1090313175.db2.gz KILWVSSETXNEOH-GXTWGEPZSA-N 1 0 325.434 2.633 20 5 EFBDRO C[NH2+]CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001578716495 1090424795 /nfs/dbraw/zinc/42/47/95/1090424795.db2.gz TZFJRXAZOWLZSF-UHFFFAOYSA-N 1 0 333.319 2.584 20 5 EFBDRO COC(=O)c1cc(C)nc(SCCCCCC[NH3+])c1[N+](=O)[O-] ZINC001578855629 1090455349 /nfs/dbraw/zinc/45/53/49/1090455349.db2.gz GZQJWGLXANUYPG-UHFFFAOYSA-N 1 0 327.406 2.696 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC001578874388 1090461067 /nfs/dbraw/zinc/46/10/67/1090461067.db2.gz OFUBYABGFRRIKE-INIZCTEOSA-N 1 0 347.415 2.596 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001579181100 1090536779 /nfs/dbraw/zinc/53/67/79/1090536779.db2.gz XWKRZUFPMPRTQY-CJNGLKHVSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001579260127 1090565188 /nfs/dbraw/zinc/56/51/88/1090565188.db2.gz PGIXUFBFHCOVSP-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579291678 1090581189 /nfs/dbraw/zinc/58/11/89/1090581189.db2.gz OJJGRPZUALHZBN-GOSISDBHSA-N 1 0 341.367 2.651 20 5 EFBDRO C[C@@H](OC(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccccc1[N+](=O)[O-] ZINC001579420698 1090609260 /nfs/dbraw/zinc/60/92/60/1090609260.db2.gz VYBODBNQFONBEF-LLVKDONJSA-N 1 0 345.355 2.968 20 5 EFBDRO C[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC001579421033 1090610216 /nfs/dbraw/zinc/61/02/16/1090610216.db2.gz VQBMNWDVNWGQIG-CZUORRHYSA-N 1 0 334.420 2.644 20 5 EFBDRO C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c3ccccc13)C2 ZINC001579474391 1090619032 /nfs/dbraw/zinc/61/90/32/1090619032.db2.gz ZTPDBUAWJKBTSL-XIKOKIGWSA-N 1 0 340.383 2.821 20 5 EFBDRO C[C@H](NC(=O)N1CCCC[C@@]12CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001579480915 1090620248 /nfs/dbraw/zinc/62/02/48/1090620248.db2.gz BSIKWFGSKPOEOA-KSSFIOAISA-N 1 0 346.431 2.974 20 5 EFBDRO Cc1c(C(=O)N(CC(F)(F)F)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001579519722 1090625120 /nfs/dbraw/zinc/62/51/20/1090625120.db2.gz VHVHQARUJXTFCR-UHFFFAOYSA-N 1 0 345.321 2.660 20 5 EFBDRO Cc1c(NC(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542443 1090630702 /nfs/dbraw/zinc/63/07/02/1090630702.db2.gz VLQBLXFCOAUKTF-QMMMGPOBSA-N 1 0 346.309 2.748 20 5 EFBDRO Cc1c(Br)c(NC2CC3(CC([NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001579544427 1090630802 /nfs/dbraw/zinc/63/08/02/1090630802.db2.gz XTKCRFXPYIMCKW-UHFFFAOYSA-N 1 0 341.209 2.743 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC001579605120 1090641085 /nfs/dbraw/zinc/64/10/85/1090641085.db2.gz KLMAKESBSHZICI-SNVBAGLBSA-N 1 0 326.784 2.820 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001579605119 1090641191 /nfs/dbraw/zinc/64/11/91/1090641191.db2.gz KLMAKESBSHZICI-JTQLQIEISA-N 1 0 326.784 2.820 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001579605522 1090641772 /nfs/dbraw/zinc/64/17/72/1090641772.db2.gz UJVKYVBROYTTOI-CQSZACIVSA-N 1 0 325.796 2.627 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001579605748 1090642051 /nfs/dbraw/zinc/64/20/51/1090642051.db2.gz YBHPFYOGLAWQII-BXUZGUMPSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001579630232 1090646951 /nfs/dbraw/zinc/64/69/51/1090646951.db2.gz KEKQZYIKGUHOKR-QWRGUYRKSA-N 1 0 346.309 2.647 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1Cl ZINC001579642854 1090649669 /nfs/dbraw/zinc/64/96/69/1090649669.db2.gz ZAUJBDHQYVAEBU-BZNIZROVSA-N 1 0 337.807 2.900 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC001579642847 1090649978 /nfs/dbraw/zinc/64/99/78/1090649978.db2.gz YSVMGGMNGWNIGF-NSHDSACASA-N 1 0 325.796 2.758 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2CCC[NH2+]CC2)c1 ZINC001579734081 1090673631 /nfs/dbraw/zinc/67/36/31/1090673631.db2.gz MOEWQSFAAOULSK-HNNXBMFYSA-N 1 0 349.431 2.568 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1C ZINC001579734238 1090674122 /nfs/dbraw/zinc/67/41/22/1090674122.db2.gz AMQFPJTZIXYRQN-AWEZNQCLSA-N 1 0 325.368 2.742 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOC2(CCC([NH3+])CC2)C1 ZINC001579734116 1090674238 /nfs/dbraw/zinc/67/42/38/1090674238.db2.gz OBNPHIAXDIOSAU-KSTDHSDQSA-N 1 0 333.432 2.937 20 5 EFBDRO Cn1c2ccccc2c(N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1=O ZINC001579948144 1090731085 /nfs/dbraw/zinc/73/10/85/1090731085.db2.gz RKXSPVLIOLYJHX-CQSZACIVSA-N 1 0 344.415 2.766 20 5 EFBDRO [NH3+][C@H](CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001580128681 1090783553 /nfs/dbraw/zinc/78/35/53/1090783553.db2.gz YVZIRMHKLQSSSA-CQSZACIVSA-N 1 0 339.355 2.890 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001580157022 1090792292 /nfs/dbraw/zinc/79/22/92/1090792292.db2.gz CVPXBBBZDVAZKC-RMLUDKJBSA-N 1 0 344.198 2.855 20 5 EFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001580169015 1090798084 /nfs/dbraw/zinc/79/80/84/1090798084.db2.gz AFZHXIQBAUWDOY-LSJOCFKGSA-N 1 0 343.305 2.565 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001580206401 1090809667 /nfs/dbraw/zinc/80/96/67/1090809667.db2.gz FWVYFULBDGHAFO-GFCCVEGCSA-N 1 0 336.351 2.606 20 5 EFBDRO [NH3+][C@H]1CCc2ccccc2N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001580204639 1090810074 /nfs/dbraw/zinc/81/00/74/1090810074.db2.gz QBFDEKZGAJJBBW-NSHDSACASA-N 1 0 347.321 2.793 20 5 EFBDRO [NH3+]C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001580215360 1090814948 /nfs/dbraw/zinc/81/49/48/1090814948.db2.gz ICDBLPKNNVOGMY-KRWDZBQOSA-N 1 0 333.432 2.799 20 5 EFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580249861 1090831914 /nfs/dbraw/zinc/83/19/14/1090831914.db2.gz DBKDUWCKSNGLEO-YVEFUNNKSA-N 1 0 329.356 2.685 20 5 EFBDRO [NH3+]C[C@]12CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]1CCCC2 ZINC001580256615 1090837124 /nfs/dbraw/zinc/83/71/24/1090837124.db2.gz WOCLAUZEMAIASL-QMTHXVAHSA-N 1 0 344.337 2.964 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001580372076 1090882514 /nfs/dbraw/zinc/88/25/14/1090882514.db2.gz SIEMIVJFWFBELI-NXEZZACHSA-N 1 0 334.239 2.778 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(F)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001580441024 1090900271 /nfs/dbraw/zinc/90/02/71/1090900271.db2.gz GYITUQULUKFSIX-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580481213 1090914618 /nfs/dbraw/zinc/91/46/18/1090914618.db2.gz HATGNFKEOLVJMT-NJAFHUGGSA-N 1 0 343.427 2.831 20 5 EFBDRO Cc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001580624824 1090972003 /nfs/dbraw/zinc/97/20/03/1090972003.db2.gz YSTRNYNQDGVSST-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001580801539 1091013796 /nfs/dbraw/zinc/01/37/96/1091013796.db2.gz UMQWPUKPZQHZOV-GOSISDBHSA-N 1 0 326.352 2.569 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)C[NH2+]C2 ZINC001580800083 1091014077 /nfs/dbraw/zinc/01/40/77/1091014077.db2.gz RYYWZLLWBDIXPZ-UHFFFAOYSA-N 1 0 334.335 2.999 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC4(CC[NH2+]4)CC3)c2c1 ZINC001580874642 1091030847 /nfs/dbraw/zinc/03/08/47/1091030847.db2.gz GSSJLMCRSUQROF-UHFFFAOYSA-N 1 0 333.779 2.524 20 5 EFBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC001580875317 1091031173 /nfs/dbraw/zinc/03/11/73/1091031173.db2.gz IXTYXGFYGKDXON-INIZCTEOSA-N 1 0 332.791 2.986 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@H]4[NH2+]CC[C@H]43)c2c1 ZINC001580874651 1091031449 /nfs/dbraw/zinc/03/14/49/1091031449.db2.gz HALBXDLBNIMKAL-CHWSQXEVSA-N 1 0 333.779 2.522 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1CN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001580874798 1091031518 /nfs/dbraw/zinc/03/15/18/1091031518.db2.gz JFMJZAFCEFPFPV-UHFFFAOYSA-N 1 0 344.390 2.883 20 5 EFBDRO CC(C)C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001589573739 1093110827 /nfs/dbraw/zinc/11/08/27/1093110827.db2.gz ZSSHLUHWMRJCSK-GFCCVEGCSA-N 1 0 330.392 2.643 20 5 EFBDRO CC(C)CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001589600840 1093113775 /nfs/dbraw/zinc/11/37/75/1093113775.db2.gz YXNONNORHCGVRR-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C(C)C ZINC001589696406 1093127936 /nfs/dbraw/zinc/12/79/36/1093127936.db2.gz CCGVDJJEKFBUDW-UHFFFAOYSA-N 1 0 347.423 2.696 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589950977 1093190360 /nfs/dbraw/zinc/19/03/60/1093190360.db2.gz ZDZNQGBFIHRVGC-WDEREUQCSA-N 1 0 339.359 2.582 20 5 EFBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245592 1093336411 /nfs/dbraw/zinc/33/64/11/1093336411.db2.gz XQPGRAFFGGDGAB-NWDGAFQWSA-N 1 0 330.392 2.785 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590686782 1093547887 /nfs/dbraw/zinc/54/78/87/1093547887.db2.gz JUFVWOCNJDWHRH-LBPRGKRZSA-N 1 0 347.423 2.616 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590688028 1093550277 /nfs/dbraw/zinc/55/02/77/1093550277.db2.gz TVLANPSBIWDTTA-LBPRGKRZSA-N 1 0 347.423 2.697 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1Br ZINC001218119141 1095631703 /nfs/dbraw/zinc/63/17/03/1095631703.db2.gz QXYIOFNCBMYJPQ-OLZOCXBDSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218149860 1095685995 /nfs/dbraw/zinc/68/59/95/1095685995.db2.gz WAKRRWRLQVOMKG-IIDWOEFGSA-N 1 0 347.596 2.997 20 5 EFBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000843694304 1095722729 /nfs/dbraw/zinc/72/27/29/1095722729.db2.gz YGJUWLKTBBFZIA-HZPDHXFCSA-N 1 0 349.456 2.868 20 5 EFBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603245717 1096484653 /nfs/dbraw/zinc/48/46/53/1096484653.db2.gz LMHCMHACCOFLSZ-ZDUSSCGKSA-N 1 0 330.392 2.643 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603270571 1096491350 /nfs/dbraw/zinc/49/13/50/1096491350.db2.gz SIMSKJCENFAXKT-AWEZNQCLSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC001603665551 1096583755 /nfs/dbraw/zinc/58/37/55/1096583755.db2.gz QPUFNDWDSIGGQS-IFQILLTASA-N 1 0 348.382 2.781 20 5 EFBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001603728425 1096604210 /nfs/dbraw/zinc/60/42/10/1096604210.db2.gz BUUJBQWCAHWDHQ-LBPRGKRZSA-N 1 0 338.371 2.968 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001604061203 1096715529 /nfs/dbraw/zinc/71/55/29/1096715529.db2.gz KRYORILXIVPNSW-QWHCGFSZSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604284273 1096794656 /nfs/dbraw/zinc/79/46/56/1096794656.db2.gz DAOZDARRNNNPPY-LBPRGKRZSA-N 1 0 347.423 2.697 20 5 EFBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC001604794823 1096956651 /nfs/dbraw/zinc/95/66/51/1096956651.db2.gz IXWGIGKIHWUQSC-LLVKDONJSA-N 1 0 330.392 2.785 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC001605827897 1097241145 /nfs/dbraw/zinc/24/11/45/1097241145.db2.gz FJWQFQXRTNWBHF-JTQLQIEISA-N 1 0 344.400 2.996 20 5 EFBDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccnc3c1ccc1cccnc13)C2 ZINC001269224201 1097959883 /nfs/dbraw/zinc/95/98/83/1097959883.db2.gz GVFIIEPMDHEFNV-HIFRSBDPSA-N 1 0 332.407 2.559 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609093981 1098142031 /nfs/dbraw/zinc/14/20/31/1098142031.db2.gz ZGRZKYQPISXCSA-LBPRGKRZSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609162709 1098176486 /nfs/dbraw/zinc/17/64/86/1098176486.db2.gz IJSQQQNKDFWBKZ-NEPJUHHUSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001609164018 1098178009 /nfs/dbraw/zinc/17/80/09/1098178009.db2.gz KFUGCUCCENGYCB-JTNHKYCSSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[NH+](CC)CCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609223164 1098210823 /nfs/dbraw/zinc/21/08/23/1098210823.db2.gz WROAWGLCROFGOX-UHFFFAOYSA-N 1 0 347.423 2.617 20 5 EFBDRO CCCC[NH+](CCCC)CCNc1nc(OC)ncc1[N+](=O)[O-] ZINC001167731886 1098605023 /nfs/dbraw/zinc/60/50/23/1098605023.db2.gz BENGQLNBVZOEJH-UHFFFAOYSA-N 1 0 325.413 2.708 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749649641 1098712850 /nfs/dbraw/zinc/71/28/50/1098712850.db2.gz XUEXILZVVMBFFI-MSOLQXFVSA-N 1 0 329.400 2.521 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001270369556 1099017280 /nfs/dbraw/zinc/01/72/80/1099017280.db2.gz SKLCZWXTQFVSRZ-IRXDYDNUSA-N 1 0 348.402 2.865 20 5 EFBDRO [NH3+]CCc1cn(-c2cnc(Cl)cc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167984224 1099445879 /nfs/dbraw/zinc/44/58/79/1099445879.db2.gz XPTISERRPBEMIA-UHFFFAOYSA-N 1 0 332.747 2.794 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(Br)cnc2n1 ZINC001226320335 1099659103 /nfs/dbraw/zinc/65/91/03/1099659103.db2.gz CWFSENFAMSHTHO-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000843765487 1099694219 /nfs/dbraw/zinc/69/42/19/1099694219.db2.gz IHHCAPKENWJGQV-NWDGAFQWSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000843769028 1099759622 /nfs/dbraw/zinc/75/96/22/1099759622.db2.gz AZROOWARDBXJIR-LBPRGKRZSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000843776216 1100184248 /nfs/dbraw/zinc/18/42/48/1100184248.db2.gz YYJAJVFGMIKXQT-VXGBXAGGSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000843776213 1100184296 /nfs/dbraw/zinc/18/42/96/1100184296.db2.gz YYJAJVFGMIKXQT-NWDGAFQWSA-N 1 0 337.395 2.893 20 5 EFBDRO C[NH+](C)CCCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000729529344 1100260628 /nfs/dbraw/zinc/26/06/28/1100260628.db2.gz RRSQYBNVNSOKRQ-UHFFFAOYSA-N 1 0 331.376 2.655 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729530137 1100290268 /nfs/dbraw/zinc/29/02/68/1100290268.db2.gz YTYTYTCWKYDNCA-AWEZNQCLSA-N 1 0 348.447 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCC2)c(Br)c1 ZINC000053069504 1100848002 /nfs/dbraw/zinc/84/80/02/1100848002.db2.gz UGYLVVFYZMFMBV-UHFFFAOYSA-N 1 0 329.194 2.752 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000840254373 1100951015 /nfs/dbraw/zinc/95/10/15/1100951015.db2.gz XAESZONIVHNIHC-SNVBAGLBSA-N 1 0 332.326 2.787 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C(=O)OC)C1CCOCC1 ZINC001167395223 1101435648 /nfs/dbraw/zinc/43/56/48/1101435648.db2.gz BKPJCFFYAOQBJA-SFHVURJKSA-N 1 0 335.468 2.663 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c1C ZINC001167098234 1101646900 /nfs/dbraw/zinc/64/69/00/1101646900.db2.gz IKTZKDKRPZQKIH-UHFFFAOYSA-N 1 0 346.778 2.713 20 5 EFBDRO CC1(C)C(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC001125314116 1101777182 /nfs/dbraw/zinc/77/71/82/1101777182.db2.gz XOKSJISGYVEVBY-UHFFFAOYSA-N 1 0 325.434 2.544 20 5 EFBDRO CCCN(c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000071332442 1101876898 /nfs/dbraw/zinc/87/68/98/1101876898.db2.gz LTWGIAKFCKKFAE-NSHDSACASA-N 1 0 328.210 2.936 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167205914 1102051868 /nfs/dbraw/zinc/05/18/68/1102051868.db2.gz OONGHJPOMQSWGO-DYVFJYSZSA-N 1 0 344.802 2.621 20 5 EFBDRO Cc1c(-n2ccc3cc(C[NH3+])cnc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167311086 1102504905 /nfs/dbraw/zinc/50/49/05/1102504905.db2.gz ACAVXUJCTSMGDF-UHFFFAOYSA-N 1 0 327.300 2.609 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001167320378 1102575015 /nfs/dbraw/zinc/57/50/15/1102575015.db2.gz ZAQJOXOPAMHKBE-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783609587 1102692821 /nfs/dbraw/zinc/69/28/21/1102692821.db2.gz ZREMSGGLLMOMQO-LLVKDONJSA-N 1 0 327.768 2.569 20 5 EFBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2Cl)COC1 ZINC001167370965 1102905289 /nfs/dbraw/zinc/90/52/89/1102905289.db2.gz HMABVMOTHPGEMP-UHFFFAOYSA-N 1 0 347.802 2.983 20 5 EFBDRO COc1ccc(OCCOc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000905611966 1103413682 /nfs/dbraw/zinc/41/36/82/1103413682.db2.gz AZRJKCUBMCDZIC-UHFFFAOYSA-N 1 0 330.340 2.664 20 5 EFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000906632541 1104412625 /nfs/dbraw/zinc/41/26/25/1104412625.db2.gz AGDFJQUNRSSUNR-GVDBMIGSSA-N 1 0 337.379 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000897852093 1106118806 /nfs/dbraw/zinc/11/88/06/1106118806.db2.gz IXZYRWCPNYRILO-GOSISDBHSA-N 1 0 331.416 2.770 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000897966969 1106170883 /nfs/dbraw/zinc/17/08/83/1106170883.db2.gz IINXOWIJWMGVNX-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO COc1cc(C[NH2+]CCc2cccnc2C)c([N+](=O)[O-])cc1OC ZINC000898257398 1106307729 /nfs/dbraw/zinc/30/77/29/1106307729.db2.gz UKWKPMYWFJNZMQ-UHFFFAOYSA-N 1 0 331.372 2.648 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000843797725 1106311101 /nfs/dbraw/zinc/31/11/01/1106311101.db2.gz JGEZHXNKBPJLTG-UHFFFAOYSA-N 1 0 337.395 2.846 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000989902510 1106798684 /nfs/dbraw/zinc/79/86/84/1106798684.db2.gz WBEGVHYLNAURBA-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncc(Cl)c1 ZINC001168342797 1107326014 /nfs/dbraw/zinc/32/60/14/1107326014.db2.gz VMFNYASVLZWBLZ-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO CC(C)N1CCC[C@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000923888820 1108223541 /nfs/dbraw/zinc/22/35/41/1108223541.db2.gz GIJUBOOAMCGNPP-ZDUSSCGKSA-N 1 0 333.344 2.652 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990611865 1108378444 /nfs/dbraw/zinc/37/84/44/1108378444.db2.gz PTSOWKIPWPRRLT-VOTSOKGWSA-N 1 0 329.400 2.642 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927082653 1108822085 /nfs/dbraw/zinc/82/20/85/1108822085.db2.gz GZOFBEIDTRSVEC-WCQYABFASA-N 1 0 326.418 2.773 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898393623 1108907768 /nfs/dbraw/zinc/90/77/68/1108907768.db2.gz SIMFGISCLRUSPY-SJLPKXTDSA-N 1 0 328.368 2.741 20 5 EFBDRO COc1ccc(COc2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000899592037 1109404955 /nfs/dbraw/zinc/40/49/55/1109404955.db2.gz VBLSCOYXMKIHRK-UHFFFAOYSA-N 1 0 328.368 2.871 20 5 EFBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000899872245 1109533285 /nfs/dbraw/zinc/53/32/85/1109533285.db2.gz YARLHCLAFVAERA-INIZCTEOSA-N 1 0 331.441 2.714 20 5 EFBDRO CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000159491157 1109665570 /nfs/dbraw/zinc/66/55/70/1109665570.db2.gz WPNOMOYOETZRES-LLVKDONJSA-N 1 0 328.210 2.541 20 5 EFBDRO CC[N@@H+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754080089 1111134489 /nfs/dbraw/zinc/13/44/89/1111134489.db2.gz QBKDWUZRPXPAQH-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccsc1 ZINC000914863047 1111448722 /nfs/dbraw/zinc/44/87/22/1111448722.db2.gz DXDDWGKGFGDOIB-GFCCVEGCSA-N 1 0 333.373 2.907 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccsc1 ZINC000914863048 1111448748 /nfs/dbraw/zinc/44/87/48/1111448748.db2.gz DXDDWGKGFGDOIB-LBPRGKRZSA-N 1 0 333.373 2.907 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300185727 1111868766 /nfs/dbraw/zinc/86/87/66/1111868766.db2.gz QNCSRJDWYMNZSW-GHMZBOCLSA-N 1 0 341.209 2.791 20 5 EFBDRO CC[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000154681643 1112112159 /nfs/dbraw/zinc/11/21/59/1112112159.db2.gz PHCUAPNIWCQLBZ-CQSZACIVSA-N 1 0 332.404 2.916 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001106926275 1118604710 /nfs/dbraw/zinc/60/47/10/1118604710.db2.gz CRNDRMJIIZAQGN-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO Cc1noc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053639304 214191503 /nfs/dbraw/zinc/19/15/03/214191503.db2.gz KQMZVGRZIFZTGO-UHFFFAOYSA-N 1 0 332.360 2.545 20 5 EFBDRO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055748527 214340028 /nfs/dbraw/zinc/34/00/28/214340028.db2.gz SYJSCJPMOSPWHZ-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197386 214365066 /nfs/dbraw/zinc/36/50/66/214365066.db2.gz GASUEFNHTHIWNY-KBPBESRZSA-N 1 0 327.384 2.950 20 5 EFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000179619209 529609310 /nfs/dbraw/zinc/60/93/10/529609310.db2.gz OCPTZMQBLQQMQY-HNNXBMFYSA-N 1 0 337.326 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000177123793 231802781 /nfs/dbraw/zinc/80/27/81/231802781.db2.gz XCBLJMQRKMZXMY-ZDUSSCGKSA-N 1 0 330.388 2.654 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000164088546 529808829 /nfs/dbraw/zinc/80/88/29/529808829.db2.gz HZIHBVUPYCMUJN-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131826907 529852114 /nfs/dbraw/zinc/85/21/14/529852114.db2.gz VZIPUYGAUBGESL-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO C[N@H+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000183575731 529890942 /nfs/dbraw/zinc/89/09/42/529890942.db2.gz QXSXWXHCKNDIPV-UHFFFAOYSA-N 1 0 335.408 2.766 20 5 EFBDRO C[N@H+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000183547449 529890954 /nfs/dbraw/zinc/89/09/54/529890954.db2.gz CYOXHURUKIRWMS-UHFFFAOYSA-N 1 0 343.387 2.633 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000160166344 529891589 /nfs/dbraw/zinc/89/15/89/529891589.db2.gz HWJFLVMFVHHRLO-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000130391877 529913430 /nfs/dbraw/zinc/91/34/30/529913430.db2.gz RAFRPMMMCVWKDI-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178351413 529980353 /nfs/dbraw/zinc/98/03/53/529980353.db2.gz UTOXDZRVBLLLBE-PWSUYJOCSA-N 1 0 325.796 2.724 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000176246936 530068592 /nfs/dbraw/zinc/06/85/92/530068592.db2.gz MVUGOGKQWZMSAE-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126378672 222691353 /nfs/dbraw/zinc/69/13/53/222691353.db2.gz DPOVLBJEMRWYJN-HOTGVXAUSA-N 1 0 331.416 2.516 20 5 EFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000101628936 219148641 /nfs/dbraw/zinc/14/86/41/219148641.db2.gz HVWZIKGCHDLTMS-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000178198856 232105116 /nfs/dbraw/zinc/10/51/16/232105116.db2.gz YEHBDQARSBUZBR-KRWDZBQOSA-N 1 0 345.443 2.908 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687890 232377540 /nfs/dbraw/zinc/37/75/40/232377540.db2.gz KSFQQWYCVUKXDF-UWVGGRQHSA-N 1 0 333.310 2.621 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687880 232377683 /nfs/dbraw/zinc/37/76/83/232377683.db2.gz KSFQQWYCVUKXDF-ZJUUUORDSA-N 1 0 333.310 2.621 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101912662 219173038 /nfs/dbraw/zinc/17/30/38/219173038.db2.gz XPEXSZVCBSATBV-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000103114316 219257571 /nfs/dbraw/zinc/25/75/71/219257571.db2.gz AITOZMQULIGWJP-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO COc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000103145471 219262068 /nfs/dbraw/zinc/26/20/68/219262068.db2.gz FPDABLCDTXHCHZ-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)o1 ZINC000179574925 233176926 /nfs/dbraw/zinc/17/69/26/233176926.db2.gz GPVUGDUEKGRSBG-CQSZACIVSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000179692337 233327160 /nfs/dbraw/zinc/32/71/60/233327160.db2.gz NWNXBANLVDZHDJ-INIZCTEOSA-N 1 0 346.358 2.753 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476151 215310451 /nfs/dbraw/zinc/31/04/51/215310451.db2.gz AMNFHTCOFRQUEB-CYBMUJFWSA-N 1 0 335.404 2.731 20 5 EFBDRO CCCC[N@H+](CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000068852573 215341331 /nfs/dbraw/zinc/34/13/31/215341331.db2.gz SXERNNOKSVSQSQ-UHFFFAOYSA-N 1 0 337.420 2.980 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000181401755 234175960 /nfs/dbraw/zinc/17/59/60/234175960.db2.gz JSHWVXDJUQZGIU-HNNXBMFYSA-N 1 0 341.411 2.913 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570611 234235642 /nfs/dbraw/zinc/23/56/42/234235642.db2.gz JWAJMPPZYYPVRQ-QMTHXVAHSA-N 1 0 332.360 2.720 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570553 234236543 /nfs/dbraw/zinc/23/65/43/234236543.db2.gz JWAJMPPZYYPVRQ-HZMBPMFUSA-N 1 0 332.360 2.720 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181675163 234279682 /nfs/dbraw/zinc/27/96/82/234279682.db2.gz KCBQLKQTMIDOJK-ZFWWWQNUSA-N 1 0 331.416 2.978 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000181734926 234303409 /nfs/dbraw/zinc/30/34/09/234303409.db2.gz IEJHZAHBZRSLRY-INIZCTEOSA-N 1 0 338.429 2.633 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000181807975 234330207 /nfs/dbraw/zinc/33/02/07/234330207.db2.gz NLNJFKKBROMOGJ-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589465 295864253 /nfs/dbraw/zinc/86/42/53/295864253.db2.gz XVFZUDDZWJYBAD-KSSFIOAISA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000183594279 235155399 /nfs/dbraw/zinc/15/53/99/235155399.db2.gz GPNVGPUMXZBKRV-CYBMUJFWSA-N 1 0 343.387 2.632 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352890217 283243467 /nfs/dbraw/zinc/24/34/67/283243467.db2.gz XDXASFJPQBRNEE-UHFFFAOYSA-N 1 0 331.420 2.779 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000422904515 535355413 /nfs/dbraw/zinc/35/54/13/535355413.db2.gz QJAVUUFLMXECMV-NSHDSACASA-N 1 0 325.434 2.954 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000186868320 236048241 /nfs/dbraw/zinc/04/82/41/236048241.db2.gz IHNJSXUKCNAGIP-ZDUSSCGKSA-N 1 0 328.434 2.769 20 5 EFBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1([NH+](C)C)CCC1 ZINC000186997312 236090361 /nfs/dbraw/zinc/09/03/61/236090361.db2.gz HXXUFNOFZNSRBF-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000187360723 236189517 /nfs/dbraw/zinc/18/95/17/236189517.db2.gz ULUUAJKFMJQILG-QWHCGFSZSA-N 1 0 340.445 2.767 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000187888916 236329176 /nfs/dbraw/zinc/32/91/76/236329176.db2.gz JLALCHGCUSCMCS-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000262049344 283452705 /nfs/dbraw/zinc/45/27/05/283452705.db2.gz CTVLRBDEFOHHTN-GFCCVEGCSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189915415 237395743 /nfs/dbraw/zinc/39/57/43/237395743.db2.gz OEGVURQTSGCJRR-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129281352 223039631 /nfs/dbraw/zinc/03/96/31/223039631.db2.gz UUDQVUURSBHNNH-LBPRGKRZSA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000129458902 223057171 /nfs/dbraw/zinc/05/71/71/223057171.db2.gz YHYKZEFRMMNKRX-SECBINFHSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000129544933 223067593 /nfs/dbraw/zinc/06/75/93/223067593.db2.gz UUXQNPRYXQTSKQ-UHFFFAOYSA-N 1 0 345.399 2.629 20 5 EFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000178694162 296019556 /nfs/dbraw/zinc/01/95/56/296019556.db2.gz RBDNRCOIIMKRGZ-MELADBBJSA-N 1 0 348.447 2.544 20 5 EFBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000131461339 223235017 /nfs/dbraw/zinc/23/50/17/223235017.db2.gz OQUBQJALHLWGDJ-QGZVFWFLSA-N 1 0 349.456 2.726 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449637962 283631631 /nfs/dbraw/zinc/63/16/31/283631631.db2.gz IRQOEPGDKJJEOK-ONGXEEELSA-N 1 0 345.321 2.861 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072665952 216289936 /nfs/dbraw/zinc/28/99/36/216289936.db2.gz UWKZPKRYMLIQTI-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000072979068 216335705 /nfs/dbraw/zinc/33/57/05/216335705.db2.gz DLZWWBMBOFQAHU-HNNXBMFYSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163450648 239106011 /nfs/dbraw/zinc/10/60/11/239106011.db2.gz WQLMDOQAENYYAW-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191664755 239241887 /nfs/dbraw/zinc/24/18/87/239241887.db2.gz SOWBSGVLJRQSAM-SFHVURJKSA-N 1 0 349.431 2.715 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000175959386 239294486 /nfs/dbraw/zinc/29/44/86/239294486.db2.gz TZBZOZVIUOCZSX-KRWDZBQOSA-N 1 0 344.415 2.515 20 5 EFBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000023695263 212390178 /nfs/dbraw/zinc/39/01/78/212390178.db2.gz BVSVPBSLGQOHDO-UHFFFAOYSA-N 1 0 335.360 2.527 20 5 EFBDRO CNC(=O)c1ccc(NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000074773151 216518452 /nfs/dbraw/zinc/51/84/52/216518452.db2.gz KMTWYUXHKXOGEH-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO CSc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000193200061 240056065 /nfs/dbraw/zinc/05/60/65/240056065.db2.gz GVKNQJRGZFAYDU-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO COc1cccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000192837837 240067145 /nfs/dbraw/zinc/06/71/45/240067145.db2.gz KLBARCZMURJXDA-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO COc1cccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000192895435 240070284 /nfs/dbraw/zinc/07/02/84/240070284.db2.gz XZGOLHDZFNWLPH-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000192895423 240071101 /nfs/dbraw/zinc/07/11/01/240071101.db2.gz XZGOLHDZFNWLPH-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308587 240101311 /nfs/dbraw/zinc/10/13/11/240101311.db2.gz RLVOENDKXZOMMS-INIZCTEOSA-N 1 0 340.445 2.777 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000132466793 223333816 /nfs/dbraw/zinc/33/38/16/223333816.db2.gz DMVJOOVLXKVRFL-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO COc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000194339027 240149964 /nfs/dbraw/zinc/14/99/64/240149964.db2.gz ZUYGFZSTSLOLKI-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193646582 240247207 /nfs/dbraw/zinc/24/72/07/240247207.db2.gz HKTQOTQBXTZGML-ZWNOBZJWSA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000195323933 240218058 /nfs/dbraw/zinc/21/80/58/240218058.db2.gz WTBIWTBKJLEMIW-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000195428843 240226172 /nfs/dbraw/zinc/22/61/72/240226172.db2.gz JJUFHHXMHZRXEJ-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1cccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000195428526 240226895 /nfs/dbraw/zinc/22/68/95/240226895.db2.gz UJYLMJRYEXSTOI-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000193700829 240272108 /nfs/dbraw/zinc/27/21/08/240272108.db2.gz KVRMFXVSDWSICS-BZNIZROVSA-N 1 0 345.424 2.938 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000195123307 240837181 /nfs/dbraw/zinc/83/71/81/240837181.db2.gz LQSYDDGBRACPHT-LLVKDONJSA-N 1 0 333.413 2.881 20 5 EFBDRO CC1CCC([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000198964917 241037695 /nfs/dbraw/zinc/03/76/95/241037695.db2.gz BWKSDGUIOWTGRT-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000298774486 241158475 /nfs/dbraw/zinc/15/84/75/241158475.db2.gz BVOFFSNKNINTJQ-CQSZACIVSA-N 1 0 337.375 2.941 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000132898706 223371867 /nfs/dbraw/zinc/37/18/67/223371867.db2.gz HGQVRMXGDUEDFW-IRXDYDNUSA-N 1 0 337.395 2.914 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000226357413 242102107 /nfs/dbraw/zinc/10/21/07/242102107.db2.gz LPXJZNZQHUTZHZ-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000227535645 242130914 /nfs/dbraw/zinc/13/09/14/242130914.db2.gz OYSJMTAIBPDSPB-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132989129 223379486 /nfs/dbraw/zinc/37/94/86/223379486.db2.gz PBVWMWLRMGSNNN-RDJZCZTQSA-N 1 0 337.395 2.914 20 5 EFBDRO C[NH+]1CCC(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000234315590 242278985 /nfs/dbraw/zinc/27/89/85/242278985.db2.gz KPBBQMXTUFGQPU-UHFFFAOYSA-N 1 0 329.198 2.506 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236602466 242293478 /nfs/dbraw/zinc/29/34/78/242293478.db2.gz NCWLXVMPWVWVSF-SWLSCSKDSA-N 1 0 339.461 2.907 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236655818 242307573 /nfs/dbraw/zinc/30/75/73/242307573.db2.gz ISEQSJXRWHRHBD-ABAIWWIYSA-N 1 0 325.434 2.565 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236828334 242372565 /nfs/dbraw/zinc/37/25/65/242372565.db2.gz ISEQSJXRWHRHBD-XHDPSFHLSA-N 1 0 325.434 2.565 20 5 EFBDRO CCCCOCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236832595 242374735 /nfs/dbraw/zinc/37/47/35/242374735.db2.gz URRDWLHMTMPFGA-UHFFFAOYSA-N 1 0 332.404 2.902 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236834027 242376555 /nfs/dbraw/zinc/37/65/55/242376555.db2.gz BZHKYEOHXJWYFM-PWSUYJOCSA-N 1 0 343.811 2.649 20 5 EFBDRO CCN1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236841757 242378967 /nfs/dbraw/zinc/37/89/67/242378967.db2.gz HKZGGRJMYDMZRZ-KRWDZBQOSA-N 1 0 343.431 2.569 20 5 EFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000237439660 242640465 /nfs/dbraw/zinc/64/04/65/242640465.db2.gz SBAZXBUPAUTNPC-SUMWQHHRSA-N 1 0 327.384 2.590 20 5 EFBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412052355 243100790 /nfs/dbraw/zinc/10/07/90/243100790.db2.gz CJFQNOFSVFXISA-MRXNPFEDSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000412059187 243102807 /nfs/dbraw/zinc/10/28/07/243102807.db2.gz WPVNAWMSBMTIKY-OAHLLOKOSA-N 1 0 347.415 2.580 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000245381460 243103950 /nfs/dbraw/zinc/10/39/50/243103950.db2.gz CMOWBLWCOGOTIH-WOPDTQHZSA-N 1 0 349.387 2.676 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056432 243105912 /nfs/dbraw/zinc/10/59/12/243105912.db2.gz OJRPDDAYWZVRQK-HNNXBMFYSA-N 1 0 347.415 2.580 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245517565 243119912 /nfs/dbraw/zinc/11/99/12/243119912.db2.gz GXPSBBMWUJAUTP-HUUCEWRRSA-N 1 0 329.404 2.968 20 5 EFBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095718 243135077 /nfs/dbraw/zinc/13/50/77/243135077.db2.gz TXZOWVHHHNCBER-JSGCOSHPSA-N 1 0 331.372 2.843 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@H]21 ZINC000245711014 243148530 /nfs/dbraw/zinc/14/85/30/243148530.db2.gz PAYRCDYLLCULJE-GXTWGEPZSA-N 1 0 337.807 2.805 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000412220981 243209269 /nfs/dbraw/zinc/20/92/69/243209269.db2.gz AZDRWVSYYNHCKR-UTJXIGIESA-N 1 0 331.416 2.639 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412220983 243209744 /nfs/dbraw/zinc/20/97/44/243209744.db2.gz AZDRWVSYYNHCKR-UWWPHRKUSA-N 1 0 331.416 2.639 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412180752 243187067 /nfs/dbraw/zinc/18/70/67/243187067.db2.gz PJDQYEHYTXANSM-LAVFITLUSA-N 1 0 343.427 2.784 20 5 EFBDRO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000412282464 243243902 /nfs/dbraw/zinc/24/39/02/243243902.db2.gz GZSGWQWRUHBENI-DLBZAZTESA-N 1 0 345.443 2.937 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412307896 243257549 /nfs/dbraw/zinc/25/75/49/243257549.db2.gz SQDIOPJEFCWFOI-BHYGNILZSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412309128 243259969 /nfs/dbraw/zinc/25/99/69/243259969.db2.gz BNTCMDGRJIYSMV-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246288173 243223768 /nfs/dbraw/zinc/22/37/68/243223768.db2.gz CXMZUWFIUKXQNJ-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000412364837 243290102 /nfs/dbraw/zinc/29/01/02/243290102.db2.gz JOXPGZSEWSPJHX-JEBQAFNWSA-N 1 0 343.427 2.641 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000246881299 243330263 /nfs/dbraw/zinc/33/02/63/243330263.db2.gz DPZHRLLXPOHGQX-YOEHRIQHSA-N 1 0 348.447 2.946 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246923513 243335851 /nfs/dbraw/zinc/33/58/51/243335851.db2.gz GQLFXPBNIGZVBB-HUUCEWRRSA-N 1 0 348.447 2.947 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247200785 243389401 /nfs/dbraw/zinc/38/94/01/243389401.db2.gz BVLSUTJQPYCFHE-DGCLKSJQSA-N 1 0 337.445 2.729 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247084391 243371198 /nfs/dbraw/zinc/37/11/98/243371198.db2.gz PKQMGBHCCFGEDU-AEGPPILISA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248524409 243579697 /nfs/dbraw/zinc/57/96/97/243579697.db2.gz TUWVYDRLGKFGAL-DVOMOZLQSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248573890 243588354 /nfs/dbraw/zinc/58/83/54/243588354.db2.gz SIDDFCREZAEGKD-WWGRRREGSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cc(NC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413355874 243634268 /nfs/dbraw/zinc/63/42/68/243634268.db2.gz IGAMWMFRAWYMAT-UHFFFAOYSA-N 1 0 329.404 2.534 20 5 EFBDRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000414101601 244007130 /nfs/dbraw/zinc/00/71/30/244007130.db2.gz MEXOAHWSTZCAMM-JTQLQIEISA-N 1 0 335.385 2.731 20 5 EFBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000253619860 244039212 /nfs/dbraw/zinc/03/92/12/244039212.db2.gz GOJIEPNTZQJVCW-NWDGAFQWSA-N 1 0 345.403 2.776 20 5 EFBDRO CCOC(=O)c1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414615546 244253874 /nfs/dbraw/zinc/25/38/74/244253874.db2.gz IQGKMCGECFRDFR-ZDUSSCGKSA-N 1 0 348.359 2.867 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCOC3)o2)c1 ZINC000414562894 244234058 /nfs/dbraw/zinc/23/40/58/244234058.db2.gz UCGJPIMTHCXAKF-WMLDXEAASA-N 1 0 346.383 2.732 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CCC1 ZINC000414632277 244263291 /nfs/dbraw/zinc/26/32/91/244263291.db2.gz ZWDYOOBLAIKLRI-UHFFFAOYSA-N 1 0 326.259 2.584 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414666493 244281808 /nfs/dbraw/zinc/28/18/08/244281808.db2.gz WQVLKVROSCDOSS-AWEZNQCLSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414666450 244281921 /nfs/dbraw/zinc/28/19/21/244281921.db2.gz WLEQUHYZHSMWAJ-KGLIPLIRSA-N 1 0 332.404 2.757 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414663514 244282429 /nfs/dbraw/zinc/28/24/29/244282429.db2.gz SIARNACEJSEDHE-HNNXBMFYSA-N 1 0 332.404 2.837 20 5 EFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000414764827 244334902 /nfs/dbraw/zinc/33/49/02/244334902.db2.gz BDHVHAMZIIOFLV-CVEARBPZSA-N 1 0 339.823 2.576 20 5 EFBDRO Cc1c(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000414705971 244299895 /nfs/dbraw/zinc/29/98/95/244299895.db2.gz NXIGGXGIHCMIQK-INIZCTEOSA-N 1 0 340.383 2.912 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)cs2)c1 ZINC000414787833 244352092 /nfs/dbraw/zinc/35/20/92/244352092.db2.gz LQZAAROXIHOTHV-DOMZBBRYSA-N 1 0 330.413 2.512 20 5 EFBDRO COC[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]1 ZINC000414945039 244396778 /nfs/dbraw/zinc/39/67/78/244396778.db2.gz PPZPBLBYKXDCMY-GOSISDBHSA-N 1 0 345.399 2.713 20 5 EFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1csc([N+](=O)[O-])c1 ZINC000262082573 244794622 /nfs/dbraw/zinc/79/46/22/244794622.db2.gz QRASOIFIQXHFMW-UHFFFAOYSA-N 1 0 338.414 2.832 20 5 EFBDRO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000262252978 244887930 /nfs/dbraw/zinc/88/79/30/244887930.db2.gz QICIRSBIBZEWSB-WBVHZDCISA-N 1 0 339.395 2.718 20 5 EFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000262493861 245003952 /nfs/dbraw/zinc/00/39/52/245003952.db2.gz BDUXDMLPQZNQQW-INIZCTEOSA-N 1 0 342.399 2.730 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417127333 245035158 /nfs/dbraw/zinc/03/51/58/245035158.db2.gz GBGFKGIWFBVFEK-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262592425 245050145 /nfs/dbraw/zinc/05/01/45/245050145.db2.gz USHPMMPVOQSEGM-UHFFFAOYSA-N 1 0 348.428 2.775 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000417706768 245089158 /nfs/dbraw/zinc/08/91/58/245089158.db2.gz ABEXAHGJUDOJEU-INIZCTEOSA-N 1 0 348.447 2.749 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)C1CC1 ZINC000417389996 245078451 /nfs/dbraw/zinc/07/84/51/245078451.db2.gz QETDDBYLSPDFPN-CABCVRRESA-N 1 0 339.386 2.845 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418424093 245153045 /nfs/dbraw/zinc/15/30/45/245153045.db2.gz JZXGEYBNJXLHJM-RHSMWYFYSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418426658 245153740 /nfs/dbraw/zinc/15/37/40/245153740.db2.gz NHAWEDFUEPYNMD-PBHICJAKSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262764174 245166772 /nfs/dbraw/zinc/16/67/72/245166772.db2.gz RORKZXRMWMMWRL-TYNCELHUSA-N 1 0 337.445 2.804 20 5 EFBDRO C[C@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000418558503 245195015 /nfs/dbraw/zinc/19/50/15/245195015.db2.gz XQEUMCZOFOZMPO-SFHVURJKSA-N 1 0 346.431 2.659 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418594417 245205119 /nfs/dbraw/zinc/20/51/19/245205119.db2.gz FMZDOZDODLPWKB-UKRRQHHQSA-N 1 0 334.420 2.655 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418670470 245239781 /nfs/dbraw/zinc/23/97/81/245239781.db2.gz QXPLCNJKTZTWRQ-SHTZXODSSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418699504 245250803 /nfs/dbraw/zinc/25/08/03/245250803.db2.gz ISMBJLURQBGZIW-HIFRSBDPSA-N 1 0 334.420 2.611 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419321817 245376000 /nfs/dbraw/zinc/37/60/00/245376000.db2.gz ROTOPSFQKIBKRO-QWHCGFSZSA-N 1 0 335.404 2.956 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC1(C)C ZINC000419321171 245377330 /nfs/dbraw/zinc/37/73/30/245377330.db2.gz QXYMHZKYMLXDMJ-LSDHHAIUSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC1(C)C ZINC000419321167 245378360 /nfs/dbraw/zinc/37/83/60/245378360.db2.gz QXYMHZKYMLXDMJ-GJZGRUSLSA-N 1 0 331.416 2.898 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419371428 245392222 /nfs/dbraw/zinc/39/22/22/245392222.db2.gz KSIGGOPLVCBTAI-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419380485 245393384 /nfs/dbraw/zinc/39/33/84/245393384.db2.gz XRTUWGXCLKVVRY-RNJOBUHISA-N 1 0 335.404 2.907 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419377622 245394687 /nfs/dbraw/zinc/39/46/87/245394687.db2.gz UZEZGLJBLXAYMN-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419379040 245395059 /nfs/dbraw/zinc/39/50/59/245395059.db2.gz WCXDAJURLKVHDO-YNEHKIRRSA-N 1 0 335.404 2.908 20 5 EFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCCC1 ZINC000110437993 220036637 /nfs/dbraw/zinc/03/66/37/220036637.db2.gz KKYKPQNTTMRFSO-UHFFFAOYSA-N 1 0 349.431 2.746 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000078398494 217048156 /nfs/dbraw/zinc/04/81/56/217048156.db2.gz AJFZARQJXNALMG-HUUCEWRRSA-N 1 0 349.431 2.661 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078543375 217071501 /nfs/dbraw/zinc/07/15/01/217071501.db2.gz HJQILGYYBAYNBM-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420234979 245567509 /nfs/dbraw/zinc/56/75/09/245567509.db2.gz CFVQXBVRWVOIRT-HNNXBMFYSA-N 1 0 335.404 2.500 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000110976586 220085363 /nfs/dbraw/zinc/08/53/63/220085363.db2.gz DEYVWVUHLMMOFA-CQSZACIVSA-N 1 0 348.447 2.929 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234912 296194296 /nfs/dbraw/zinc/19/42/96/296194296.db2.gz KKVHYBAIEKBPFL-ZDUSSCGKSA-N 1 0 331.397 2.776 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000111273930 220131489 /nfs/dbraw/zinc/13/14/89/220131489.db2.gz DDIDHEWNGBSPHF-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000080617580 217319019 /nfs/dbraw/zinc/31/90/19/217319019.db2.gz UEBICDKNBFFKNZ-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000080617584 217319821 /nfs/dbraw/zinc/31/98/21/217319821.db2.gz UEBICDKNBFFKNZ-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000193885015 284381721 /nfs/dbraw/zinc/38/17/21/284381721.db2.gz SCIJWXQMXGEIAA-XHSDSOJGSA-N 1 0 332.400 2.847 20 5 EFBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522916 217410903 /nfs/dbraw/zinc/41/09/03/217410903.db2.gz DDJFXDPSIRARCV-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CON1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000421394313 245960753 /nfs/dbraw/zinc/96/07/53/245960753.db2.gz GEEYIEBYUPIXPS-UHFFFAOYSA-N 1 0 331.372 2.970 20 5 EFBDRO Cn1cc(C[NH2+]CCCC2(O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421376831 245953267 /nfs/dbraw/zinc/95/32/67/245953267.db2.gz QTCHILOQCGWJDJ-UHFFFAOYSA-N 1 0 344.415 2.780 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000421678835 246060645 /nfs/dbraw/zinc/06/06/45/246060645.db2.gz DTNDGIDKBFYQOR-UHFFFAOYSA-N 1 0 333.432 2.861 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000421707992 246070788 /nfs/dbraw/zinc/07/07/88/246070788.db2.gz YUNUBFHKCPLRIS-ZDUSSCGKSA-N 1 0 333.413 2.976 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000264146035 246106284 /nfs/dbraw/zinc/10/62/84/246106284.db2.gz YLSFTWOCZFUMHD-MRXNPFEDSA-N 1 0 334.420 2.609 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000421889345 246154046 /nfs/dbraw/zinc/15/40/46/246154046.db2.gz IYYLSHDGNQNBHK-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422002837 246210253 /nfs/dbraw/zinc/21/02/53/246210253.db2.gz BYZTZFWFPJNKBR-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264267186 246263275 /nfs/dbraw/zinc/26/32/75/246263275.db2.gz FJLAEEVUPRKSID-MRXNPFEDSA-N 1 0 326.400 2.966 20 5 EFBDRO COc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000264326091 246354252 /nfs/dbraw/zinc/35/42/52/246354252.db2.gz IMBOZDGQOGMZNM-UHFFFAOYSA-N 1 0 348.355 2.616 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000423651601 246647378 /nfs/dbraw/zinc/64/73/78/246647378.db2.gz MHSDBCBGILWYCM-UHFFFAOYSA-N 1 0 341.411 2.855 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000425254038 247018508 /nfs/dbraw/zinc/01/85/08/247018508.db2.gz KVYCVAGRKABSIN-UHFFFAOYSA-N 1 0 345.403 2.556 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425392322 247069995 /nfs/dbraw/zinc/06/99/95/247069995.db2.gz GDHHWYQIPNRXIF-CYBMUJFWSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000264931651 247059083 /nfs/dbraw/zinc/05/90/83/247059083.db2.gz SPLQHKSBWYPWEF-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000412133235 284524962 /nfs/dbraw/zinc/52/49/62/284524962.db2.gz XKQJDZRXYQYMAQ-FHLIZLRMSA-N 1 0 343.427 2.643 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H](OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000425467618 247096784 /nfs/dbraw/zinc/09/67/84/247096784.db2.gz BURALNYKOAVCAG-SFHVURJKSA-N 1 0 349.431 2.541 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000264978956 247104966 /nfs/dbraw/zinc/10/49/66/247104966.db2.gz TTWFJBGDSXUJOM-UHFFFAOYSA-N 1 0 343.383 2.837 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264995355 247120609 /nfs/dbraw/zinc/12/06/09/247120609.db2.gz UMBSUIXNXTUIFM-AWEZNQCLSA-N 1 0 334.420 2.631 20 5 EFBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000425534034 247124071 /nfs/dbraw/zinc/12/40/71/247124071.db2.gz ATMPBTOFKXNHJR-IRXDYDNUSA-N 1 0 344.415 2.625 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425674172 247163523 /nfs/dbraw/zinc/16/35/23/247163523.db2.gz OTVTUIPECFBGCV-SWLSCSKDSA-N 1 0 348.403 2.551 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425694690 247170865 /nfs/dbraw/zinc/17/08/65/247170865.db2.gz XJVXOYMOQLKZPX-UKPHBRMFSA-N 1 0 346.431 2.700 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000427179957 247328383 /nfs/dbraw/zinc/32/83/83/247328383.db2.gz WSRYNNQVBWYQGV-RDJZCZTQSA-N 1 0 334.416 2.845 20 5 EFBDRO Cc1nn(C)c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000265221168 247311612 /nfs/dbraw/zinc/31/16/12/247311612.db2.gz GJJFGEZODGEIKB-LBPRGKRZSA-N 1 0 335.433 2.947 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000265259964 247347267 /nfs/dbraw/zinc/34/72/67/247347267.db2.gz DKOMXZLRLUUAPY-HNNXBMFYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000429139961 247588050 /nfs/dbraw/zinc/58/80/50/247588050.db2.gz WZGQBVQLXAAMAN-ZWNOBZJWSA-N 1 0 346.412 2.528 20 5 EFBDRO COc1cc(CN[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430574253 247802656 /nfs/dbraw/zinc/80/26/56/247802656.db2.gz SDCXSGFGPDVGGI-OAHLLOKOSA-N 1 0 347.362 2.668 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000433052361 248008071 /nfs/dbraw/zinc/00/80/71/248008071.db2.gz MASYLKGXBLQDCU-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN(CCO)[C@H]2CCCSC2)c(F)c1 ZINC000433193472 248025962 /nfs/dbraw/zinc/02/59/62/248025962.db2.gz QNZNXHWYAKGSQX-JTQLQIEISA-N 1 0 332.372 2.563 20 5 EFBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000433202939 248028099 /nfs/dbraw/zinc/02/80/99/248028099.db2.gz VGCACGMRBMJMQC-ZDUSSCGKSA-N 1 0 329.356 2.613 20 5 EFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCSC1 ZINC000433204293 248028990 /nfs/dbraw/zinc/02/89/90/248028990.db2.gz ASVJOCJCZLDDMU-CQSZACIVSA-N 1 0 340.445 2.947 20 5 EFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCSC1 ZINC000433204291 248030216 /nfs/dbraw/zinc/03/02/16/248030216.db2.gz ASVJOCJCZLDDMU-AWEZNQCLSA-N 1 0 340.445 2.947 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266039079 248054187 /nfs/dbraw/zinc/05/41/87/248054187.db2.gz SJXUZPWPRHQBBA-HNNXBMFYSA-N 1 0 345.443 2.817 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000266126051 248115635 /nfs/dbraw/zinc/11/56/35/248115635.db2.gz YWRWGJBUOZHESL-YVEFUNNKSA-N 1 0 344.415 2.878 20 5 EFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCOC(C)(C)C1 ZINC000435051459 248206740 /nfs/dbraw/zinc/20/67/40/248206740.db2.gz ZAEHWFUMOSKYCJ-VURMDHGXSA-N 1 0 333.432 2.651 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234911 248220741 /nfs/dbraw/zinc/22/07/41/248220741.db2.gz KKVHYBAIEKBPFL-CYBMUJFWSA-N 1 0 331.397 2.776 20 5 EFBDRO Cc1ncsc1CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000435428432 248239063 /nfs/dbraw/zinc/23/90/63/248239063.db2.gz QXCHQWULKHLPAL-HNNXBMFYSA-N 1 0 346.456 2.971 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000266314907 248242463 /nfs/dbraw/zinc/24/24/63/248242463.db2.gz GXCFVPPTTWSRKY-LLVKDONJSA-N 1 0 343.305 2.534 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000434789263 248189638 /nfs/dbraw/zinc/18/96/38/248189638.db2.gz XCQPVIDFPLWOPI-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266505846 248335437 /nfs/dbraw/zinc/33/54/37/248335437.db2.gz BWSBXMGKQMMSJL-IAOVAPTHSA-N 1 0 334.416 2.908 20 5 EFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266466912 248314694 /nfs/dbraw/zinc/31/46/94/248314694.db2.gz NJAPTWYDWXRBGO-SFHVURJKSA-N 1 0 339.395 2.747 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)c1 ZINC000266382030 248274037 /nfs/dbraw/zinc/27/40/37/248274037.db2.gz AYYAODRUABSXAE-ZWKOTPCHSA-N 1 0 344.415 2.770 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC4(C3)CCOCC4)n2)c1 ZINC000266532532 248348662 /nfs/dbraw/zinc/34/86/62/248348662.db2.gz GELVAPLAWFWCNK-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000266541416 248351866 /nfs/dbraw/zinc/35/18/66/248351866.db2.gz QBLORVRHASJIJW-OAHLLOKOSA-N 1 0 333.432 2.700 20 5 EFBDRO COc1ccc(OCC[N@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266544272 248353459 /nfs/dbraw/zinc/35/34/59/248353459.db2.gz RAQQMPAADRDPJK-KRWDZBQOSA-N 1 0 346.383 2.648 20 5 EFBDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266557159 248359239 /nfs/dbraw/zinc/35/92/39/248359239.db2.gz WHUDDLUBPRSNOK-KRWDZBQOSA-N 1 0 346.431 2.701 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000266955016 248524137 /nfs/dbraw/zinc/52/41/37/248524137.db2.gz SMEQAXURRBGRMS-INIZCTEOSA-N 1 0 331.416 2.858 20 5 EFBDRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000010017721 211141043 /nfs/dbraw/zinc/14/10/43/211141043.db2.gz NOOKFAFDHNMCFP-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO O=C1CCCN1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093087711 218193480 /nfs/dbraw/zinc/19/34/80/218193480.db2.gz FEULBHQDYWPHGS-ZZXKWVIFSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093482094 218229193 /nfs/dbraw/zinc/22/91/93/218229193.db2.gz QCVCYSWWUJDLID-SUMWQHHRSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1 ZINC000443642990 250215186 /nfs/dbraw/zinc/21/51/86/250215186.db2.gz QDGLIIKNVDUWBI-UONOGXRCSA-N 1 0 331.416 2.852 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000443509746 250200645 /nfs/dbraw/zinc/20/06/45/250200645.db2.gz OADQXJSAFZYHTD-AWEZNQCLSA-N 1 0 334.445 2.838 20 5 EFBDRO COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000443917445 250236988 /nfs/dbraw/zinc/23/69/88/250236988.db2.gz QSZKZXAYHDXUSR-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO COc1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000443953927 250240138 /nfs/dbraw/zinc/24/01/38/250240138.db2.gz YTRHUZOUZDWBMD-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093770741 218248396 /nfs/dbraw/zinc/24/83/96/218248396.db2.gz CFJJYXOZHDCRTD-LBPRGKRZSA-N 1 0 343.374 2.970 20 5 EFBDRO COc1cccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000444036271 250250733 /nfs/dbraw/zinc/25/07/33/250250733.db2.gz YMCVGUKSBNGQLZ-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000444077668 250256027 /nfs/dbraw/zinc/25/60/27/250256027.db2.gz UISPJOONVUZXBB-UKRRQHHQSA-N 1 0 349.434 2.894 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000444077670 250256628 /nfs/dbraw/zinc/25/66/28/250256628.db2.gz UISPJOONVUZXBB-ZFWWWQNUSA-N 1 0 349.434 2.894 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000444077662 250256725 /nfs/dbraw/zinc/25/67/25/250256725.db2.gz UISPJOONVUZXBB-DZGCQCFKSA-N 1 0 349.434 2.894 20 5 EFBDRO CC1(C)CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[NH2+]1 ZINC000444108301 250259207 /nfs/dbraw/zinc/25/92/07/250259207.db2.gz YQUITTATDFWKCK-UHFFFAOYSA-N 1 0 335.407 2.505 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000444639995 250322103 /nfs/dbraw/zinc/32/21/03/250322103.db2.gz OMPZIQKTLKSOMK-CQSZACIVSA-N 1 0 343.431 2.779 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444651598 250322936 /nfs/dbraw/zinc/32/29/36/250322936.db2.gz PVGCZSUWTOIXDT-CYBMUJFWSA-N 1 0 331.420 2.635 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000444772104 250343468 /nfs/dbraw/zinc/34/34/68/250343468.db2.gz TVXGPWYCRBGJDW-QGZVFWFLSA-N 1 0 338.404 2.609 20 5 EFBDRO Cc1c(NC(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000444834600 250355554 /nfs/dbraw/zinc/35/55/54/250355554.db2.gz HVZVFTXXLURUBI-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444832262 250355853 /nfs/dbraw/zinc/35/58/53/250355853.db2.gz BNNNEMGBDNRAKT-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000444731803 250337691 /nfs/dbraw/zinc/33/76/91/250337691.db2.gz HMPVGBVVCRXVEB-OAHLLOKOSA-N 1 0 348.374 2.914 20 5 EFBDRO CC(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000444750361 250339735 /nfs/dbraw/zinc/33/97/35/250339735.db2.gz BPJDCDCJXDMNRA-HNNXBMFYSA-N 1 0 331.416 2.852 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000445227237 250396336 /nfs/dbraw/zinc/39/63/36/250396336.db2.gz WCZGJHJOACYVLS-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000367203080 284844465 /nfs/dbraw/zinc/84/44/65/284844465.db2.gz BPZFEAPNFGLJHF-ULQDDVLXSA-N 1 0 329.400 2.715 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387644 251006200 /nfs/dbraw/zinc/00/62/00/251006200.db2.gz MJJPEVCEFVFXTR-MRXNPFEDSA-N 1 0 335.448 2.655 20 5 EFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449458632 251032750 /nfs/dbraw/zinc/03/27/50/251032750.db2.gz WLRNTXNVDTTXPH-GIIHOQTISA-N 1 0 348.399 2.510 20 5 EFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449458002 251032904 /nfs/dbraw/zinc/03/29/04/251032904.db2.gz OSBIPEPKMLTYAZ-KDOFPFPSSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000267417959 251039615 /nfs/dbraw/zinc/03/96/15/251039615.db2.gz JTWCFVQJOFMWSV-GFCCVEGCSA-N 1 0 349.412 2.817 20 5 EFBDRO COCCn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449503107 251044657 /nfs/dbraw/zinc/04/46/57/251044657.db2.gz STPFHSXOGFMPNY-QGZVFWFLSA-N 1 0 344.415 2.817 20 5 EFBDRO COc1nccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449502672 251045789 /nfs/dbraw/zinc/04/57/89/251045789.db2.gz RULDEINWBDMZGS-AWEZNQCLSA-N 1 0 328.372 2.773 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000449591608 251076287 /nfs/dbraw/zinc/07/62/87/251076287.db2.gz WVPYORNSNDUPTO-PBHICJAKSA-N 1 0 330.388 2.647 20 5 EFBDRO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000449628777 251086111 /nfs/dbraw/zinc/08/61/11/251086111.db2.gz DCDCCEHTYSVYGK-UHFFFAOYSA-N 1 0 340.383 2.900 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CO)CC(C)(C)C ZINC000449581543 251073867 /nfs/dbraw/zinc/07/38/67/251073867.db2.gz ATPIPGYQFRICMV-HNNXBMFYSA-N 1 0 338.404 2.690 20 5 EFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C[NH3+])CCC1 ZINC000449675748 251111626 /nfs/dbraw/zinc/11/16/26/251111626.db2.gz BSVQTTTYEZCCGF-UHFFFAOYSA-N 1 0 346.412 2.672 20 5 EFBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449695932 251120800 /nfs/dbraw/zinc/12/08/00/251120800.db2.gz JMWWMEMRCLWHNR-GOSISDBHSA-N 1 0 346.383 2.686 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(C)(C)O ZINC000449719420 251128961 /nfs/dbraw/zinc/12/89/61/251128961.db2.gz HKPGVRUBNQWJLL-GFCCVEGCSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(C)(C)O ZINC000449719421 251129069 /nfs/dbraw/zinc/12/90/69/251129069.db2.gz HKPGVRUBNQWJLL-LBPRGKRZSA-N 1 0 337.420 2.699 20 5 EFBDRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC000449739010 251136052 /nfs/dbraw/zinc/13/60/52/251136052.db2.gz HWOHTWVKCMYUTE-UHFFFAOYSA-N 1 0 338.404 2.908 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449707074 251124414 /nfs/dbraw/zinc/12/44/14/251124414.db2.gz PRSGTGWHPCYYPH-LLVKDONJSA-N 1 0 344.371 2.967 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449710834 251126285 /nfs/dbraw/zinc/12/62/85/251126285.db2.gz BTBIWHVPOFKIIC-PWSUYJOCSA-N 1 0 346.412 2.576 20 5 EFBDRO COc1cccnc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449750684 251140808 /nfs/dbraw/zinc/14/08/08/251140808.db2.gz VSGXREQQKYPGPT-LBPRGKRZSA-N 1 0 344.371 2.505 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449754162 251143354 /nfs/dbraw/zinc/14/33/54/251143354.db2.gz KYYCRNQAJXCLDC-MSOLQXFVSA-N 1 0 340.379 2.983 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000267732071 251296256 /nfs/dbraw/zinc/29/62/56/251296256.db2.gz UJZZPFCVYCRIFU-KGLIPLIRSA-N 1 0 342.399 2.775 20 5 EFBDRO CCc1cc(NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc[nH+]1 ZINC000450225963 251306042 /nfs/dbraw/zinc/30/60/42/251306042.db2.gz CLLLWQCVYIOQJY-UHFFFAOYSA-N 1 0 331.372 2.646 20 5 EFBDRO COC(=O)Cc1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000450251688 251314892 /nfs/dbraw/zinc/31/48/92/251314892.db2.gz VMAFCPFSZGOBEB-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO Cc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450265500 251321030 /nfs/dbraw/zinc/32/10/30/251321030.db2.gz KCJGNNYSFBTJKS-UHFFFAOYSA-N 1 0 345.378 2.909 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000450315073 251341339 /nfs/dbraw/zinc/34/13/39/251341339.db2.gz DBIPUEPRKCHSCX-AWEZNQCLSA-N 1 0 347.415 2.739 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450345242 251352740 /nfs/dbraw/zinc/35/27/40/251352740.db2.gz AJVRLTFWXQYLOJ-GFCCVEGCSA-N 1 0 337.420 2.699 20 5 EFBDRO COC(=O)Cc1ccc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450443990 251388783 /nfs/dbraw/zinc/38/87/83/251388783.db2.gz XPAUZOXMDWJMKG-CQSZACIVSA-N 1 0 349.431 2.987 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000451104723 251447432 /nfs/dbraw/zinc/44/74/32/251447432.db2.gz LHCDEHTVBGJRHP-LSDHHAIUSA-N 1 0 341.411 2.993 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451490333 251582949 /nfs/dbraw/zinc/58/29/49/251582949.db2.gz HVCVQWHDHKCHEX-CABCVRRESA-N 1 0 335.404 2.635 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452024919 251758204 /nfs/dbraw/zinc/75/82/04/251758204.db2.gz ZRNWCSQAMLQMIV-JGGQBBKZSA-N 1 0 335.404 2.777 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OCC)c2)C1 ZINC000268252116 251765058 /nfs/dbraw/zinc/76/50/58/251765058.db2.gz ZOFFGPGXIDTTOR-AWEZNQCLSA-N 1 0 349.431 2.940 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CCCO)C3)o2)c1 ZINC000452124032 251798692 /nfs/dbraw/zinc/79/86/92/251798692.db2.gz QMOZVZVQLDTFKG-AWEZNQCLSA-N 1 0 345.399 2.887 20 5 EFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452183923 251821699 /nfs/dbraw/zinc/82/16/99/251821699.db2.gz PLJURJRGRAEACX-SUMWQHHRSA-N 1 0 349.431 2.565 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453297835 252030805 /nfs/dbraw/zinc/03/08/05/252030805.db2.gz SGRIBJZMRXPKTJ-JFIYKMOQSA-N 1 0 334.416 2.557 20 5 EFBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453331230 252034364 /nfs/dbraw/zinc/03/43/64/252034364.db2.gz FCQISLUFLYJETD-ZKYQVNSYSA-N 1 0 334.397 2.734 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159812597 533008475 /nfs/dbraw/zinc/00/84/75/533008475.db2.gz JTWJFSLYYCZSOU-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153415537 224101112 /nfs/dbraw/zinc/10/11/12/224101112.db2.gz RFTLGKDEAIEQSO-SJCJKPOMSA-N 1 0 347.390 2.823 20 5 EFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131057541 533086284 /nfs/dbraw/zinc/08/62/84/533086284.db2.gz VFSAHLYBZYYSCW-KPZWWZAWSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccn1 ZINC000181777933 533138492 /nfs/dbraw/zinc/13/84/92/533138492.db2.gz YJWAEGGXEMLSGW-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153221365 533138527 /nfs/dbraw/zinc/13/85/27/533138527.db2.gz WNAQGRCUPZTROK-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177562171 533137752 /nfs/dbraw/zinc/13/77/52/533137752.db2.gz LHMNPJYCNPSWLR-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO C[C@H]([C@H](C)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000153925886 224177299 /nfs/dbraw/zinc/17/72/99/224177299.db2.gz VOYQUSOMOKXVKE-VHSXEESVSA-N 1 0 334.825 2.502 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153970271 224184010 /nfs/dbraw/zinc/18/40/10/224184010.db2.gz UFZSUTCJMHRYNT-WMLDXEAASA-N 1 0 329.400 2.684 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000154212643 224219524 /nfs/dbraw/zinc/21/95/24/224219524.db2.gz HYPJJPPHYWRIDG-KBPBESRZSA-N 1 0 349.456 2.873 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738250 285260887 /nfs/dbraw/zinc/26/08/87/285260887.db2.gz UTLGUXGWPGYJIS-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000269277544 255557731 /nfs/dbraw/zinc/55/77/31/255557731.db2.gz PEKVYHKOFDKCIM-MRXNPFEDSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000269186675 255541790 /nfs/dbraw/zinc/54/17/90/255541790.db2.gz GCWKMWFAVQLYQL-MFKMUULPSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269225361 255548155 /nfs/dbraw/zinc/54/81/55/255548155.db2.gz UIUHWMMAJLDSQU-FRRDWIJNSA-N 1 0 337.445 2.580 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116128726 220933278 /nfs/dbraw/zinc/93/32/78/220933278.db2.gz QOMSUPQCYKNNLD-HNNXBMFYSA-N 1 0 337.420 2.700 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117789738 221089492 /nfs/dbraw/zinc/08/94/92/221089492.db2.gz GRFREVPCDXEJSD-UHFFFAOYSA-N 1 0 339.823 2.591 20 5 EFBDRO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000466485809 256002782 /nfs/dbraw/zinc/00/27/82/256002782.db2.gz ANRKMKNAFVLWFB-CQSZACIVSA-N 1 0 331.416 2.996 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154661483 224286655 /nfs/dbraw/zinc/28/66/55/224286655.db2.gz ZDZINZOFMKJOMR-KRWDZBQOSA-N 1 0 339.395 2.805 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000154782701 224304452 /nfs/dbraw/zinc/30/44/52/224304452.db2.gz YCOMYQSRJWCWGI-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000119043933 221231055 /nfs/dbraw/zinc/23/10/55/221231055.db2.gz JOYQNNMICBGNJK-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154902775 224323849 /nfs/dbraw/zinc/32/38/49/224323849.db2.gz XNWWPWDPFQLHLB-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000119689858 221378307 /nfs/dbraw/zinc/37/83/07/221378307.db2.gz JXPWKWFWODJORA-KRWDZBQOSA-N 1 0 345.443 2.923 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000328590034 258044169 /nfs/dbraw/zinc/04/41/69/258044169.db2.gz XIIQMPBRBTVZQH-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000435056648 533383597 /nfs/dbraw/zinc/38/35/97/533383597.db2.gz NAUGUSUIENBJQG-UVQBRAAOSA-N 1 0 333.432 2.651 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000344884198 533384132 /nfs/dbraw/zinc/38/41/32/533384132.db2.gz YHYWJEWWJKVERT-PINLSGDHSA-N 1 0 327.388 2.503 20 5 EFBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155081533 533384886 /nfs/dbraw/zinc/38/48/86/533384886.db2.gz VWDYWMZBPURPCN-CYBMUJFWSA-N 1 0 343.383 2.771 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000435056647 533407440 /nfs/dbraw/zinc/40/74/40/533407440.db2.gz NAUGUSUIENBJQG-SFKKXYGYSA-N 1 0 333.432 2.651 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000344916294 533408767 /nfs/dbraw/zinc/40/87/67/533408767.db2.gz VPNWLMNMWNRBBC-AAGJOFLKSA-N 1 0 333.432 2.556 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000344862874 533409671 /nfs/dbraw/zinc/40/96/71/533409671.db2.gz KWIAQHGXLOOASY-JDERRNKESA-N 1 0 332.400 2.926 20 5 EFBDRO COc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000132386849 533516637 /nfs/dbraw/zinc/51/66/37/533516637.db2.gz BSWKCUOGRKFLEA-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000178649286 533533973 /nfs/dbraw/zinc/53/39/73/533533973.db2.gz AMEFNJSPPUEZKS-ZIAGYGMSSA-N 1 0 327.384 2.950 20 5 EFBDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178656687 533567366 /nfs/dbraw/zinc/56/73/66/533567366.db2.gz BQJORKDMOOIDSN-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161096877 285583595 /nfs/dbraw/zinc/58/35/95/285583595.db2.gz GJSUTSFJOYLVSA-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000343378469 141984192 /nfs/dbraw/zinc/98/41/92/141984192.db2.gz AGLRSICVRBWHKW-AWEZNQCLSA-N 1 0 335.404 2.637 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344470941 142022961 /nfs/dbraw/zinc/02/29/61/142022961.db2.gz AZOLWMWJHFEDCS-UHFFFAOYSA-N 1 0 341.839 2.837 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344487105 142026403 /nfs/dbraw/zinc/02/64/03/142026403.db2.gz UNGBAMPMAYFOCT-YIKOMLBNSA-N 1 0 335.404 2.571 20 5 EFBDRO CCOC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000344529519 142035306 /nfs/dbraw/zinc/03/53/06/142035306.db2.gz IZZNFLJJUPTXTQ-GFCCVEGCSA-N 1 0 336.413 2.810 20 5 EFBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000344599331 142046582 /nfs/dbraw/zinc/04/65/82/142046582.db2.gz DUOKQFPUNSJVMZ-OAHLLOKOSA-N 1 0 329.356 2.565 20 5 EFBDRO CC[N@H+](CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000344777408 142076471 /nfs/dbraw/zinc/07/64/71/142076471.db2.gz UZQIJTXEGFLICD-UHFFFAOYSA-N 1 0 337.420 2.519 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000345923050 142118751 /nfs/dbraw/zinc/11/87/51/142118751.db2.gz PZUFMXHICFLMBI-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345976974 142127169 /nfs/dbraw/zinc/12/71/69/142127169.db2.gz JBHTZWVDXRTIOY-UHFFFAOYSA-N 1 0 343.730 2.503 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346213704 142168644 /nfs/dbraw/zinc/16/86/44/142168644.db2.gz YTDSAPGQCVQXDS-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346221977 142170658 /nfs/dbraw/zinc/17/06/58/142170658.db2.gz LAHPAPOOLPLSSH-SUNYJGFJSA-N 1 0 345.443 2.634 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000346400905 142199723 /nfs/dbraw/zinc/19/97/23/142199723.db2.gz YDSVMKRGGYCYOP-GJZGRUSLSA-N 1 0 348.447 2.694 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000346400904 142199916 /nfs/dbraw/zinc/19/99/16/142199916.db2.gz YDSVMKRGGYCYOP-GASCZTMLSA-N 1 0 348.447 2.694 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]CCCC(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346500353 142212598 /nfs/dbraw/zinc/21/25/98/142212598.db2.gz ULPWWBQFUAABFS-SFHVURJKSA-N 1 0 345.399 2.955 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347432653 142215977 /nfs/dbraw/zinc/21/59/77/142215977.db2.gz OCEVEQGGLQFSHF-ZDUSSCGKSA-N 1 0 329.404 2.636 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347529947 142231357 /nfs/dbraw/zinc/23/13/57/142231357.db2.gz UIKXOKPSGLESGZ-UHFFFAOYSA-N 1 0 339.395 2.951 20 5 EFBDRO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000347565962 142236973 /nfs/dbraw/zinc/23/69/73/142236973.db2.gz MHIMTQHANAJODC-QWHCGFSZSA-N 1 0 333.388 2.871 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000347822600 142276806 /nfs/dbraw/zinc/27/68/06/142276806.db2.gz GXONSZXHWBRWEG-HOCLYGCPSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347834249 142278979 /nfs/dbraw/zinc/27/89/79/142278979.db2.gz QNNRLFVKUVJHRG-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347923659 142293715 /nfs/dbraw/zinc/29/37/15/142293715.db2.gz PMPAYCQEADAMAK-GFCCVEGCSA-N 1 0 325.384 2.686 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000348018935 142310054 /nfs/dbraw/zinc/31/00/54/142310054.db2.gz OJFACXXQWBRIIG-XQQFMLRXSA-N 1 0 335.379 2.580 20 5 EFBDRO C[C@@H]1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000349664509 142345028 /nfs/dbraw/zinc/34/50/28/142345028.db2.gz MBFWLVTZEFUVSG-STQMWFEESA-N 1 0 340.445 2.783 20 5 EFBDRO CC[C@H]([NH2+][C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496578 142498378 /nfs/dbraw/zinc/49/83/78/142498378.db2.gz XFIPVQHKVVVAHY-UONOGXRCSA-N 1 0 325.434 2.503 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000352516665 142502482 /nfs/dbraw/zinc/50/24/82/142502482.db2.gz XQYCROBITONUGT-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO COc1ccc(OCC[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000339819083 144856453 /nfs/dbraw/zinc/85/64/53/144856453.db2.gz DOPISDJUNDGLRI-UHFFFAOYSA-N 1 0 338.404 2.609 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cn1 ZINC000341284099 145025968 /nfs/dbraw/zinc/02/59/68/145025968.db2.gz QKDMUVUYOUDRCV-NSHDSACASA-N 1 0 332.335 2.636 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000341381852 145042570 /nfs/dbraw/zinc/04/25/70/145042570.db2.gz FLORIMKXMAGUAF-ZDUSSCGKSA-N 1 0 342.399 2.878 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000342177548 145075613 /nfs/dbraw/zinc/07/56/13/145075613.db2.gz IJXPAFVUZQLIFL-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000342243288 145086507 /nfs/dbraw/zinc/08/65/07/145086507.db2.gz ITKWAUNCTDJRJS-OLZOCXBDSA-N 1 0 338.404 2.500 20 5 EFBDRO Cc1ccsc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342351399 145106940 /nfs/dbraw/zinc/10/69/40/145106940.db2.gz CAKMVBPBDSWSPK-UHFFFAOYSA-N 1 0 340.426 2.528 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCC1 ZINC000342603527 145157850 /nfs/dbraw/zinc/15/78/50/145157850.db2.gz JBCUTLRJKAUYJY-UHFFFAOYSA-N 1 0 340.383 2.950 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000342787530 145192878 /nfs/dbraw/zinc/19/28/78/145192878.db2.gz UQPAJEIOSZMDIR-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342879455 145214081 /nfs/dbraw/zinc/21/40/81/145214081.db2.gz CUSQPUKHQKCKOM-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000342887947 145215547 /nfs/dbraw/zinc/21/55/47/145215547.db2.gz BREHEMYGDWIGCT-LLVKDONJSA-N 1 0 329.356 2.555 20 5 EFBDRO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C[NH+](C)C ZINC000342931917 145223768 /nfs/dbraw/zinc/22/37/68/145223768.db2.gz DBXSHHDSNUHTPV-LLVKDONJSA-N 1 0 332.404 2.782 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000343556191 145237106 /nfs/dbraw/zinc/23/71/06/145237106.db2.gz BMTJAWIGHFBDHL-OAHLLOKOSA-N 1 0 346.431 2.773 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000343563512 145239228 /nfs/dbraw/zinc/23/92/28/145239228.db2.gz ZMSCVGHZUXCLPN-SJORKVTESA-N 1 0 342.395 2.652 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000343567078 145240183 /nfs/dbraw/zinc/24/01/83/145240183.db2.gz VPERCANMMKJSNE-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000343583291 145244526 /nfs/dbraw/zinc/24/45/26/145244526.db2.gz YHMPVMBIPSPYLZ-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343584597 145245273 /nfs/dbraw/zinc/24/52/73/145245273.db2.gz ZYZKAPCTAWQGIR-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622024 145255287 /nfs/dbraw/zinc/25/52/87/145255287.db2.gz MYBHDFWEOBWYTE-JKSUJKDBSA-N 1 0 341.367 2.565 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000343972112 145336141 /nfs/dbraw/zinc/33/61/41/145336141.db2.gz FWYLTYGFQNODJX-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344056140 145357482 /nfs/dbraw/zinc/35/74/82/145357482.db2.gz ITBLRUUUYVHBGP-ZDUSSCGKSA-N 1 0 331.372 2.625 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(C(F)(F)F)CC1 ZINC000344141750 145378436 /nfs/dbraw/zinc/37/84/36/145378436.db2.gz AAEVIAHTYPUNCJ-UHFFFAOYSA-N 1 0 347.337 2.809 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000344187392 145387511 /nfs/dbraw/zinc/38/75/11/145387511.db2.gz GOHTVMXIWFFQEM-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215646 145394561 /nfs/dbraw/zinc/39/45/61/145394561.db2.gz QBUIDVCQRYBJGC-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000344215537 145394854 /nfs/dbraw/zinc/39/48/54/145394854.db2.gz OYCLYBLJZVSVSC-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344252246 145404063 /nfs/dbraw/zinc/40/40/63/145404063.db2.gz HASQTMDANMBDEM-MRXNPFEDSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000345750975 145611475 /nfs/dbraw/zinc/61/14/75/145611475.db2.gz NMMACGGAXNDSJZ-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000345824531 145629192 /nfs/dbraw/zinc/62/91/92/145629192.db2.gz WZUBHVANKLAKAK-JKSUJKDBSA-N 1 0 343.383 2.859 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809794 145725568 /nfs/dbraw/zinc/72/55/68/145725568.db2.gz FVWOXJLWPWBVBK-GXTWGEPZSA-N 1 0 326.418 2.521 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000348839556 146011272 /nfs/dbraw/zinc/01/12/72/146011272.db2.gz WUUFSBCMHXFJEJ-UHFFFAOYSA-N 1 0 342.399 2.670 20 5 EFBDRO COc1cc(CN(CC[NH+](C)C)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000348892359 146020691 /nfs/dbraw/zinc/02/06/91/146020691.db2.gz INJKDZHRNBVUCI-UHFFFAOYSA-N 1 0 339.436 2.632 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000349055940 146043919 /nfs/dbraw/zinc/04/39/19/146043919.db2.gz PUKKUEJBQVBWPY-SNVBAGLBSA-N 1 0 346.774 2.712 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351644835 146166892 /nfs/dbraw/zinc/16/68/92/146166892.db2.gz BCNNBALZLMOFJP-ZFWWWQNUSA-N 1 0 349.431 2.715 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC ZINC000351755259 146195694 /nfs/dbraw/zinc/19/56/94/146195694.db2.gz HSKAHIRQAZQVHQ-UHFFFAOYSA-N 1 0 330.331 2.942 20 5 EFBDRO C[N@@H+]1CCCC12CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000351761384 146197649 /nfs/dbraw/zinc/19/76/49/146197649.db2.gz XLAAMPJDZGFCBU-UHFFFAOYSA-N 1 0 325.359 2.933 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)c2ccccc2)c1 ZINC000352846542 146331958 /nfs/dbraw/zinc/33/19/58/146331958.db2.gz ABWVWFQSFBPIFN-YTQUADARSA-N 1 0 342.395 2.671 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352892204 146342739 /nfs/dbraw/zinc/34/27/39/146342739.db2.gz ISXBVRJXQHBNCZ-YOEHRIQHSA-N 1 0 349.431 2.573 20 5 EFBDRO CC(C)c1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000352973703 146363677 /nfs/dbraw/zinc/36/36/77/146363677.db2.gz WQTPEIMLDNIVJL-UHFFFAOYSA-N 1 0 335.448 2.655 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000353005348 146372679 /nfs/dbraw/zinc/37/26/79/146372679.db2.gz CHVPHIVBOZTUTJ-JKSUJKDBSA-N 1 0 348.399 2.625 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000353061179 146388740 /nfs/dbraw/zinc/38/87/40/146388740.db2.gz MNEHTZUTTWTPQJ-LBPRGKRZSA-N 1 0 325.409 2.519 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355597901 147008302 /nfs/dbraw/zinc/00/83/02/147008302.db2.gz FTHJXZZEYPZFPB-STQMWFEESA-N 1 0 336.388 2.625 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355608538 147011271 /nfs/dbraw/zinc/01/12/71/147011271.db2.gz PFVHQMFMAGKYIM-STQMWFEESA-N 1 0 336.388 2.672 20 5 EFBDRO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000355703044 147039044 /nfs/dbraw/zinc/03/90/44/147039044.db2.gz AUHDPWLMUMTLSP-LLVKDONJSA-N 1 0 348.428 2.646 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000355748501 147052022 /nfs/dbraw/zinc/05/20/22/147052022.db2.gz RIXYJCHAHPWNSZ-OAHLLOKOSA-N 1 0 348.399 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000355748492 147052135 /nfs/dbraw/zinc/05/21/35/147052135.db2.gz RIXYJCHAHPWNSZ-HNNXBMFYSA-N 1 0 348.399 2.911 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000356081804 147141742 /nfs/dbraw/zinc/14/17/42/147141742.db2.gz OWQLEIFWYDALIB-NXEZZACHSA-N 1 0 326.784 2.805 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356085380 147142492 /nfs/dbraw/zinc/14/24/92/147142492.db2.gz AQKHKZUOLQLXHG-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000356285925 147200460 /nfs/dbraw/zinc/20/04/60/147200460.db2.gz VOBXRFQUMBEPOR-ZFWWWQNUSA-N 1 0 346.431 2.725 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000356391780 147232705 /nfs/dbraw/zinc/23/27/05/147232705.db2.gz KLRWFJOESKIGFA-HUUCEWRRSA-N 1 0 348.447 2.660 20 5 EFBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)c1 ZINC000356531906 147269674 /nfs/dbraw/zinc/26/96/74/147269674.db2.gz HMVZYXHJYKMBGL-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO COc1c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000356706594 147315086 /nfs/dbraw/zinc/31/50/86/147315086.db2.gz VPDZZHVEMGNBOU-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000356749198 147326416 /nfs/dbraw/zinc/32/64/16/147326416.db2.gz WVQLTJHSMACJHK-IBGZPJMESA-N 1 0 341.411 2.952 20 5 EFBDRO COc1c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000356813312 147343377 /nfs/dbraw/zinc/34/33/77/147343377.db2.gz PVYNHMHSPVPECW-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C)n[nH]1 ZINC000356840435 147350769 /nfs/dbraw/zinc/35/07/69/147350769.db2.gz JCWIBIYTXSKOMD-LBPRGKRZSA-N 1 0 335.433 2.724 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000358312499 147768427 /nfs/dbraw/zinc/76/84/27/147768427.db2.gz SZNYMGASJGZQTP-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000358829706 147911972 /nfs/dbraw/zinc/91/19/72/147911972.db2.gz RWUBIFAJTWVTRM-IRXDYDNUSA-N 1 0 335.473 2.915 20 5 EFBDRO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359128279 148003469 /nfs/dbraw/zinc/00/34/69/148003469.db2.gz HIXCDBDUUTXIMA-ZNMIVQPWSA-N 1 0 333.432 2.857 20 5 EFBDRO Cc1c(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000359284864 148045507 /nfs/dbraw/zinc/04/55/07/148045507.db2.gz VIMMPHZJFLWNLC-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO CNc1c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000359314634 148053736 /nfs/dbraw/zinc/05/37/36/148053736.db2.gz CQPMFLALDRXYKQ-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](C1CC1)[NH+](C)C ZINC000359485756 148098247 /nfs/dbraw/zinc/09/82/47/148098247.db2.gz GGTJHCYSWNCMGR-AWEZNQCLSA-N 1 0 339.367 2.663 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000359539234 148114922 /nfs/dbraw/zinc/11/49/22/148114922.db2.gz DYLAHEIHQROPHT-HNNXBMFYSA-N 1 0 334.420 2.529 20 5 EFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]2C ZINC000359538375 148115266 /nfs/dbraw/zinc/11/52/66/148115266.db2.gz AWUJSQQHLHEGAQ-OLZOCXBDSA-N 1 0 330.388 2.808 20 5 EFBDRO CCc1ccc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000359615357 148140241 /nfs/dbraw/zinc/14/02/41/148140241.db2.gz GHAKTEZCGPCYLV-INIZCTEOSA-N 1 0 330.384 2.989 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000359627413 148143834 /nfs/dbraw/zinc/14/38/34/148143834.db2.gz CFUNBSVQIMPDIK-QGZVFWFLSA-N 1 0 331.416 2.516 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359662855 148156074 /nfs/dbraw/zinc/15/60/74/148156074.db2.gz JFFPDYXEPZNFSJ-ZDUSSCGKSA-N 1 0 335.379 2.682 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359744755 148178478 /nfs/dbraw/zinc/17/84/78/148178478.db2.gz QQIZQKUSBFUXGZ-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO Cc1nn2c(nc(C)c2C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000359805197 148193930 /nfs/dbraw/zinc/19/39/30/148193930.db2.gz OZDYPOYUGJEHRS-UHFFFAOYSA-N 1 0 331.401 2.914 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000359832150 148201563 /nfs/dbraw/zinc/20/15/63/148201563.db2.gz LJGJLLKFSJBKIZ-KBXCAEBGSA-N 1 0 339.395 2.988 20 5 EFBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360052848 148261414 /nfs/dbraw/zinc/26/14/14/148261414.db2.gz QHZYCOFFYHOCRJ-CYBMUJFWSA-N 1 0 335.326 2.647 20 5 EFBDRO Cc1cc(NCCOCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360067296 148264031 /nfs/dbraw/zinc/26/40/31/148264031.db2.gz WAACAMIUZRFGSP-UHFFFAOYSA-N 1 0 335.326 2.912 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000360200388 148297247 /nfs/dbraw/zinc/29/72/47/148297247.db2.gz RDEDECWGPAVTMM-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000360962107 148501776 /nfs/dbraw/zinc/50/17/76/148501776.db2.gz XABRQNACUGHJQW-NFAWXSAZSA-N 1 0 335.452 2.961 20 5 EFBDRO COc1cc(CN2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000363813463 149015190 /nfs/dbraw/zinc/01/51/90/149015190.db2.gz FXQYQDGROAZZSM-ZDUSSCGKSA-N 1 0 338.379 2.991 20 5 EFBDRO Cc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000364071128 149061092 /nfs/dbraw/zinc/06/10/92/149061092.db2.gz KXTWMURCJIQZBX-KRWDZBQOSA-N 1 0 332.448 2.508 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365074925 149310542 /nfs/dbraw/zinc/31/05/42/149310542.db2.gz XPMCPBSGCLJFLJ-AWEZNQCLSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1cccn2c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc12 ZINC000365116068 149320037 /nfs/dbraw/zinc/32/00/37/149320037.db2.gz INFSHLNXIPRCBV-UHFFFAOYSA-N 1 0 340.387 2.585 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000365308903 149366679 /nfs/dbraw/zinc/36/66/79/149366679.db2.gz NEKWMAHULJCQEY-CYBMUJFWSA-N 1 0 325.796 2.805 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000367989397 150003219 /nfs/dbraw/zinc/00/32/19/150003219.db2.gz XHALAWOFZKSABV-AWEZNQCLSA-N 1 0 336.779 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368052992 150021851 /nfs/dbraw/zinc/02/18/51/150021851.db2.gz AVMFYOSWMAIEHR-GOSISDBHSA-N 1 0 349.431 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000368492043 150131400 /nfs/dbraw/zinc/13/14/00/150131400.db2.gz YZMVYHMUGQFMMT-UHFFFAOYSA-N 1 0 347.415 2.781 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000369273667 150316747 /nfs/dbraw/zinc/31/67/47/150316747.db2.gz IKPBDOPYFDYWEA-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000370109265 150522638 /nfs/dbraw/zinc/52/26/38/150522638.db2.gz AWXGRWJLPHRIKV-UHFFFAOYSA-N 1 0 335.795 2.719 20 5 EFBDRO CC(=O)Nc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373280046 151145682 /nfs/dbraw/zinc/14/56/82/151145682.db2.gz VRPFDZNUPNIFGY-UHFFFAOYSA-N 1 0 343.387 2.587 20 5 EFBDRO Cc1c(CC(=O)N2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374161383 151294017 /nfs/dbraw/zinc/29/40/17/151294017.db2.gz OHSGEUSWUHTKPD-UHFFFAOYSA-N 1 0 345.443 2.780 20 5 EFBDRO Cc1cn2c(n1)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374440226 151348433 /nfs/dbraw/zinc/34/84/33/151348433.db2.gz WIXNXZKNQPAXNT-OAHLLOKOSA-N 1 0 342.399 2.726 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]2CCCCN12 ZINC000374503528 151358631 /nfs/dbraw/zinc/35/86/31/151358631.db2.gz JFBRVVUUWURIOC-XYJFISCASA-N 1 0 343.427 2.659 20 5 EFBDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000378170441 152025070 /nfs/dbraw/zinc/02/50/70/152025070.db2.gz SCOKGWWOOAAOQC-YOEHRIQHSA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC000378190666 152028854 /nfs/dbraw/zinc/02/88/54/152028854.db2.gz PQSPGVCFJXPLCJ-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000378304129 152052739 /nfs/dbraw/zinc/05/27/39/152052739.db2.gz GSLVYIWGUUPWLU-IAGOWNOFSA-N 1 0 339.395 2.731 20 5 EFBDRO CC(C)[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc([N+](=O)[O-])cc1 ZINC000378444572 152086661 /nfs/dbraw/zinc/08/66/61/152086661.db2.gz NTIBQJCZXDGXLQ-HDICACEKSA-N 1 0 333.432 2.668 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)CN1C ZINC000408070388 152148823 /nfs/dbraw/zinc/14/88/23/152148823.db2.gz NDMAONSCLFCJDZ-GHMZBOCLSA-N 1 0 333.413 2.974 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000408148335 152156442 /nfs/dbraw/zinc/15/64/42/152156442.db2.gz BQORNWZPLVBHDB-MGPQQGTHSA-N 1 0 346.431 2.654 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000408328883 152176564 /nfs/dbraw/zinc/17/65/64/152176564.db2.gz HOCSXJFEVMELFN-RDJZCZTQSA-N 1 0 346.431 2.529 20 5 EFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408420858 152189046 /nfs/dbraw/zinc/18/90/46/152189046.db2.gz AYEVQVAKPKUVCD-GOSISDBHSA-N 1 0 343.427 2.887 20 5 EFBDRO CSCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495029 286671209 /nfs/dbraw/zinc/67/12/09/286671209.db2.gz IBXDSOUQBGFCEC-GXTWGEPZSA-N 1 0 339.461 2.764 20 5 EFBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000349938157 286808376 /nfs/dbraw/zinc/80/83/76/286808376.db2.gz PBFWBFKREDNTKS-ZDUSSCGKSA-N 1 0 342.399 2.674 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351810 287057819 /nfs/dbraw/zinc/05/78/19/287057819.db2.gz LHTAKXAPKYAPNN-ZYHUDNBSSA-N 1 0 345.321 2.799 20 5 EFBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159709002 225265405 /nfs/dbraw/zinc/26/54/05/225265405.db2.gz QBHVYBMJMLOPCN-LLVKDONJSA-N 1 0 337.326 2.728 20 5 EFBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159836125 225287163 /nfs/dbraw/zinc/28/71/63/225287163.db2.gz YNLGRAPPZVCDBX-CYBMUJFWSA-N 1 0 349.818 2.973 20 5 EFBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122324097 222062646 /nfs/dbraw/zinc/06/26/46/222062646.db2.gz CEJXUFNOYKNOJJ-UHFFFAOYSA-N 1 0 331.372 2.798 20 5 EFBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122794594 222159059 /nfs/dbraw/zinc/15/90/59/222159059.db2.gz MJGYTNIBBPLZFY-CYBMUJFWSA-N 1 0 334.397 2.547 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000123019080 222200549 /nfs/dbraw/zinc/20/05/49/222200549.db2.gz WTRNDRTVNQEPPE-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123117199 222218264 /nfs/dbraw/zinc/21/82/64/222218264.db2.gz OXWDHUHZUOLDIS-CYBMUJFWSA-N 1 0 342.399 2.747 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122968885 222191789 /nfs/dbraw/zinc/19/17/89/222191789.db2.gz KNPWHVJHQZFODZ-INIZCTEOSA-N 1 0 333.432 2.826 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000124001330 222363554 /nfs/dbraw/zinc/36/35/54/222363554.db2.gz XEXWIJKZNXFSDE-DOMZBBRYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@H]1C[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000124001548 222363818 /nfs/dbraw/zinc/36/38/18/222363818.db2.gz XEXWIJKZNXFSDE-WFASDCNBSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881156 227333677 /nfs/dbraw/zinc/33/36/77/227333677.db2.gz UYYRBPIBVYRXSE-GFCCVEGCSA-N 1 0 333.413 2.907 20 5 EFBDRO CCc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000184179010 265010575 /nfs/dbraw/zinc/01/05/75/265010575.db2.gz MZZUYSPVJDPRCP-UHFFFAOYSA-N 1 0 327.384 2.758 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000186356188 265063612 /nfs/dbraw/zinc/06/36/12/265063612.db2.gz ZJSNOGANPXERMO-ZDUSSCGKSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186356232 265063981 /nfs/dbraw/zinc/06/39/81/265063981.db2.gz PUARFJGPENZZPJ-ZDUSSCGKSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000186418804 265065333 /nfs/dbraw/zinc/06/53/33/265065333.db2.gz QROAMCQDLPIQJR-LLVKDONJSA-N 1 0 339.367 2.690 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000188925098 265163572 /nfs/dbraw/zinc/16/35/72/265163572.db2.gz HANXVXGDRJDPCO-KRWDZBQOSA-N 1 0 344.411 2.995 20 5 EFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189520289 265191257 /nfs/dbraw/zinc/19/12/57/265191257.db2.gz SJUKWEJDVLVJRW-ZDUSSCGKSA-N 1 0 336.310 2.609 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000191586437 265269727 /nfs/dbraw/zinc/26/97/27/265269727.db2.gz VHTZZYBTGDVSCP-SFHVURJKSA-N 1 0 328.368 2.815 20 5 EFBDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000191622028 265271530 /nfs/dbraw/zinc/27/15/30/265271530.db2.gz QNIVRCPKEMYUDD-CQSZACIVSA-N 1 0 339.395 2.944 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000193676689 265342459 /nfs/dbraw/zinc/34/24/59/265342459.db2.gz CPWPWMFSBBEPCA-IAQYHMDHSA-N 1 0 325.434 2.897 20 5 EFBDRO CCOc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194700206 265382009 /nfs/dbraw/zinc/38/20/09/265382009.db2.gz JLUFHEGKLUCTSM-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000269850507 265565896 /nfs/dbraw/zinc/56/58/96/265565896.db2.gz XLVSETKQPBSLBD-OAHLLOKOSA-N 1 0 335.448 2.946 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000271170373 265906062 /nfs/dbraw/zinc/90/60/62/265906062.db2.gz UCXHQXAIDCLLJT-GFCCVEGCSA-N 1 0 328.434 2.760 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271559433 266007929 /nfs/dbraw/zinc/00/79/29/266007929.db2.gz XHVPADQUTLYDKS-AEGPPILISA-N 1 0 340.445 2.910 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000271586342 266014352 /nfs/dbraw/zinc/01/43/52/266014352.db2.gz RTMHMYGYRCYBIV-RDBSUJKOSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1cccc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271665992 266036731 /nfs/dbraw/zinc/03/67/31/266036731.db2.gz BPWZYHKNWPIKSZ-KRWDZBQOSA-N 1 0 328.368 2.916 20 5 EFBDRO CCCCOCCNC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271683520 266040908 /nfs/dbraw/zinc/04/09/08/266040908.db2.gz CKBHLUUMTQUGMH-INIZCTEOSA-N 1 0 337.420 2.568 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731243 266052518 /nfs/dbraw/zinc/05/25/18/266052518.db2.gz NFVFRNKKQRQIKB-SQWLQELKSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731223 266052603 /nfs/dbraw/zinc/05/26/03/266052603.db2.gz NFVFRNKKQRQIKB-LZWOXQAQSA-N 1 0 346.431 2.782 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1O ZINC000272045924 266134591 /nfs/dbraw/zinc/13/45/91/266134591.db2.gz WXJWPWBQXDUEPX-ZIAGYGMSSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)ccc1F ZINC000272084548 266147676 /nfs/dbraw/zinc/14/76/76/266147676.db2.gz MCPXIYQIAJMVSB-GOSISDBHSA-N 1 0 345.374 2.945 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272252473 266205422 /nfs/dbraw/zinc/20/54/22/266205422.db2.gz LYVLLNRLFKBBSR-UHFFFAOYSA-N 1 0 345.346 2.656 20 5 EFBDRO CCN(CCOC)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272279102 266214582 /nfs/dbraw/zinc/21/45/82/266214582.db2.gz MNTOVPDVSOABTF-UHFFFAOYSA-N 1 0 348.346 2.716 20 5 EFBDRO COc1cc(C[NH2+]C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353672 266240029 /nfs/dbraw/zinc/24/00/29/266240029.db2.gz DPVUBLYFOHTUSB-UHFFFAOYSA-N 1 0 346.330 2.516 20 5 EFBDRO C[NH+](C)C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000272404196 266254828 /nfs/dbraw/zinc/25/48/28/266254828.db2.gz AYDNRBSZFWZNAL-UHFFFAOYSA-N 1 0 341.358 2.677 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272413093 266257802 /nfs/dbraw/zinc/25/78/02/266257802.db2.gz LDVACMUYANMAAF-HIFRSBDPSA-N 1 0 332.404 2.770 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272470176 266275945 /nfs/dbraw/zinc/27/59/45/266275945.db2.gz ACLPQSLJYZNVHW-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO COC[C@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272504539 266286981 /nfs/dbraw/zinc/28/69/81/266286981.db2.gz WDEXZKNDIXHCHK-SNVBAGLBSA-N 1 0 348.346 2.619 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCC[C@H]1O ZINC000272508133 266288468 /nfs/dbraw/zinc/28/84/68/266288468.db2.gz JSYVAXXLBAPHJB-UKRRQHHQSA-N 1 0 346.387 2.628 20 5 EFBDRO CSc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272536214 266297427 /nfs/dbraw/zinc/29/74/27/266297427.db2.gz ODBKBGFGESTWNR-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550936 266304658 /nfs/dbraw/zinc/30/46/58/266304658.db2.gz SSBXSMDFMHLGDP-DZGCQCFKSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550939 266304919 /nfs/dbraw/zinc/30/49/19/266304919.db2.gz SSBXSMDFMHLGDP-HIFRSBDPSA-N 1 0 342.399 2.563 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272562260 266307507 /nfs/dbraw/zinc/30/75/07/266307507.db2.gz GUMUCNXJGGMSHN-CQSZACIVSA-N 1 0 348.447 2.995 20 5 EFBDRO C[N@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000272601143 266322614 /nfs/dbraw/zinc/32/26/14/266322614.db2.gz VCJXQGKTFAPQOD-UHFFFAOYSA-N 1 0 341.358 2.677 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272627050 266332258 /nfs/dbraw/zinc/33/22/58/266332258.db2.gz ZEOPGUATOPJHCC-NSHDSACASA-N 1 0 329.347 2.533 20 5 EFBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272656198 266341010 /nfs/dbraw/zinc/34/10/10/266341010.db2.gz BFXFPBOFWAJLIJ-AWEZNQCLSA-N 1 0 346.431 2.554 20 5 EFBDRO Cc1cc(N[C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272841735 266395626 /nfs/dbraw/zinc/39/56/26/266395626.db2.gz NCVFGPWEUWIHAB-NSHDSACASA-N 1 0 326.356 2.627 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000272914775 266414395 /nfs/dbraw/zinc/41/43/95/266414395.db2.gz DOBRMWVDWMENIR-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000272982978 266432106 /nfs/dbraw/zinc/43/21/06/266432106.db2.gz JMDTYRXQPJDGTE-WBMJQRKESA-N 1 0 345.374 2.790 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273076509 266446512 /nfs/dbraw/zinc/44/65/12/266446512.db2.gz PQQDEEGWQBKNTM-QZTJIDSGSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000273213576 266466537 /nfs/dbraw/zinc/46/65/37/266466537.db2.gz HCIHXJZZCDNQLD-LBPRGKRZSA-N 1 0 346.431 2.646 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000108433676 273009869 /nfs/dbraw/zinc/00/98/69/273009869.db2.gz LPZHGMLYZYVWJU-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000276490241 267000221 /nfs/dbraw/zinc/00/02/21/267000221.db2.gz SJRISHRRABOCDQ-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000276502855 267001560 /nfs/dbraw/zinc/00/15/60/267001560.db2.gz VDMGBAGLZLPNDG-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)CC ZINC000276578806 267017372 /nfs/dbraw/zinc/01/73/72/267017372.db2.gz HVRDOHMLBKRGPR-OLZOCXBDSA-N 1 0 339.461 2.922 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncnn1C ZINC000276642129 267028656 /nfs/dbraw/zinc/02/86/56/267028656.db2.gz OZOPKKZYBBAWKU-NEPJUHHUSA-N 1 0 335.433 2.945 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276866183 267064779 /nfs/dbraw/zinc/06/47/79/267064779.db2.gz HBJSHDPDKIPLHM-ZBFHGGJFSA-N 1 0 338.429 2.700 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCOCC2 ZINC000276911580 267074428 /nfs/dbraw/zinc/07/44/28/267074428.db2.gz PEKWHGLYKLIPQB-SJORKVTESA-N 1 0 334.416 2.967 20 5 EFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000276933770 267080799 /nfs/dbraw/zinc/08/07/99/267080799.db2.gz ACTCBDUTOZDCOL-INIZCTEOSA-N 1 0 342.399 2.693 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276940775 267082298 /nfs/dbraw/zinc/08/22/98/267082298.db2.gz JVOQZVFDDTZHHE-GXTWGEPZSA-N 1 0 341.795 2.734 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000276977130 267090583 /nfs/dbraw/zinc/09/05/83/267090583.db2.gz AVUJINAAUSYWQR-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277109463 267115934 /nfs/dbraw/zinc/11/59/34/267115934.db2.gz QFDCBZPXPKRDSE-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000277353534 267162451 /nfs/dbraw/zinc/16/24/51/267162451.db2.gz UEOWEPCVYPBWMC-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000277564310 267198953 /nfs/dbraw/zinc/19/89/53/267198953.db2.gz PTDWKHRPBXMHAJ-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000277664633 267226610 /nfs/dbraw/zinc/22/66/10/267226610.db2.gz WTEGFHZFGSGTKI-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO C[C@@H]1C[N@H+](CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713163 267241504 /nfs/dbraw/zinc/24/15/04/267241504.db2.gz ITVQSGPEDSYLOE-CYBMUJFWSA-N 1 0 341.839 2.839 20 5 EFBDRO Cc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000277736335 267247311 /nfs/dbraw/zinc/24/73/11/267247311.db2.gz HODQWFDOSMXQDQ-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO O=C1CCCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118851860 273016772 /nfs/dbraw/zinc/01/67/72/273016772.db2.gz APKVWVPDWLXINQ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000277818890 267270662 /nfs/dbraw/zinc/27/06/62/267270662.db2.gz QSFFKFHVUWUABU-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO CC(=O)c1ccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000277854691 267280598 /nfs/dbraw/zinc/28/05/98/267280598.db2.gz CPJCCMQLMNSLMP-ZDUSSCGKSA-N 1 0 335.404 2.710 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277947795 267305123 /nfs/dbraw/zinc/30/51/23/267305123.db2.gz OSYPMSWUBWZSEG-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278017977 267321851 /nfs/dbraw/zinc/32/18/51/267321851.db2.gz MMUQOUVLASHVLS-LLVKDONJSA-N 1 0 328.800 2.556 20 5 EFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000278510936 267463826 /nfs/dbraw/zinc/46/38/26/267463826.db2.gz PWYBDOCISIECQB-AWEZNQCLSA-N 1 0 348.424 2.762 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278537005 267474574 /nfs/dbraw/zinc/47/45/74/267474574.db2.gz URNMZADBGOOWSY-DZGCQCFKSA-N 1 0 329.404 2.648 20 5 EFBDRO O=[N+]([O-])c1cnn(CCN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000157612835 273021056 /nfs/dbraw/zinc/02/10/56/273021056.db2.gz QIOMCFCOOFSNQF-GOSISDBHSA-N 1 0 337.383 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000176091814 273031368 /nfs/dbraw/zinc/03/13/68/273031368.db2.gz JDZLYDYYVHPDFC-NSHDSACASA-N 1 0 338.408 2.701 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184583527 273049335 /nfs/dbraw/zinc/04/93/35/273049335.db2.gz BPHUAMUFQJWYQJ-LLVKDONJSA-N 1 0 342.827 2.778 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000194292135 273068022 /nfs/dbraw/zinc/06/80/22/273068022.db2.gz JITRVJJEFGYYNB-CMDGGOBGSA-N 1 0 331.416 2.987 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269641903 273087023 /nfs/dbraw/zinc/08/70/23/273087023.db2.gz OEXWRGRYSGDMNZ-UHFFFAOYSA-N 1 0 343.374 2.810 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000271118639 273099264 /nfs/dbraw/zinc/09/92/64/273099264.db2.gz IVIZKAYWDVXBPN-LBPRGKRZSA-N 1 0 347.444 2.793 20 5 EFBDRO COc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271113067 273098483 /nfs/dbraw/zinc/09/84/83/273098483.db2.gz VINMAGTUUKYCBC-CYBMUJFWSA-N 1 0 337.395 2.911 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)CCCOC)cc1[N+](=O)[O-] ZINC000271128507 273100181 /nfs/dbraw/zinc/10/01/81/273100181.db2.gz LFODWQYQZADPGF-CQSZACIVSA-N 1 0 339.436 2.612 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nncn1C ZINC000271138521 273101088 /nfs/dbraw/zinc/10/10/88/273101088.db2.gz NSXITHLDUUBOQU-RYUDHWBXSA-N 1 0 335.433 2.945 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000271203740 273102425 /nfs/dbraw/zinc/10/24/25/273102425.db2.gz RHYMPAKTCLPBBX-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000271565190 273105323 /nfs/dbraw/zinc/10/53/23/273105323.db2.gz APAIDXOBNRDHGO-LPHOPBHVSA-N 1 0 341.411 2.890 20 5 EFBDRO COC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000271759949 273108964 /nfs/dbraw/zinc/10/89/64/273108964.db2.gz OSFUWXYKZCHPAK-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000273039251 273114552 /nfs/dbraw/zinc/11/45/52/273114552.db2.gz ONNKNOVGABFGTA-CYBMUJFWSA-N 1 0 340.383 2.678 20 5 EFBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000273661312 273117285 /nfs/dbraw/zinc/11/72/85/273117285.db2.gz WCXGCSISOXKUEE-INIZCTEOSA-N 1 0 343.387 2.642 20 5 EFBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000273661314 273117311 /nfs/dbraw/zinc/11/73/11/273117311.db2.gz WCXGCSISOXKUEE-MRXNPFEDSA-N 1 0 343.387 2.642 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000274268709 273128644 /nfs/dbraw/zinc/12/86/44/273128644.db2.gz MEGDPUDSHFDLIF-CZUORRHYSA-N 1 0 332.404 2.770 20 5 EFBDRO CC(C)(CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000276736180 273141885 /nfs/dbraw/zinc/14/18/85/273141885.db2.gz CGBWGFNYOBJNRO-UHFFFAOYSA-N 1 0 341.358 2.725 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277067764 273145637 /nfs/dbraw/zinc/14/56/37/273145637.db2.gz IOGDXAJPNAYBDI-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC2(CO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000278996122 273164585 /nfs/dbraw/zinc/16/45/85/273164585.db2.gz FGLMSHACTREYEU-INIZCTEOSA-N 1 0 334.416 2.696 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279228902 273190736 /nfs/dbraw/zinc/19/07/36/273190736.db2.gz DODGXWITBBSXKX-PXAZEXFGSA-N 1 0 347.415 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3CCO)co2)cc1 ZINC000279254123 273193658 /nfs/dbraw/zinc/19/36/58/273193658.db2.gz LKZAIKIDHZRHPG-MLGOLLRUSA-N 1 0 331.372 2.891 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279262326 273194712 /nfs/dbraw/zinc/19/47/12/273194712.db2.gz IIDVTHWQNMBNMP-DYVFJYSZSA-N 1 0 347.415 2.731 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279387481 273209824 /nfs/dbraw/zinc/20/98/24/273209824.db2.gz TZBPPYIMAWJWEF-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000279476770 273219692 /nfs/dbraw/zinc/21/96/92/273219692.db2.gz NNUSJYYSVYENEG-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000279624908 273235287 /nfs/dbraw/zinc/23/52/87/273235287.db2.gz BDJRUALDNMTCKR-GOEBONIOSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279663443 273239417 /nfs/dbraw/zinc/23/94/17/273239417.db2.gz CVNWUGXEEBGAPP-LSDHHAIUSA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279782224 273252759 /nfs/dbraw/zinc/25/27/59/273252759.db2.gz NSGYEQSVAHYVNO-HUUCEWRRSA-N 1 0 349.431 2.857 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000279999161 273279429 /nfs/dbraw/zinc/27/94/29/273279429.db2.gz RSLVVGGAEAZTHB-FPMFFAJLSA-N 1 0 336.388 2.671 20 5 EFBDRO CCC(=O)c1ccc(NCCCN2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280114825 273292323 /nfs/dbraw/zinc/29/23/23/273292323.db2.gz VYQMMIKHCKSQBX-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280244415 273306536 /nfs/dbraw/zinc/30/65/36/273306536.db2.gz BCOZOCGJTHPSCE-QGZVFWFLSA-N 1 0 335.404 2.814 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000280388019 273322784 /nfs/dbraw/zinc/32/27/84/273322784.db2.gz KDVBTCPLPBGRSF-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000280388030 273322785 /nfs/dbraw/zinc/32/27/85/273322785.db2.gz KDVBTCPLPBGRSF-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280568057 273341941 /nfs/dbraw/zinc/34/19/41/273341941.db2.gz OKIBGKJEGKQYEC-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000280604872 273346007 /nfs/dbraw/zinc/34/60/07/273346007.db2.gz OITDCCKTFNAGJW-GVXVVHGQSA-N 1 0 346.387 2.539 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280679832 273354878 /nfs/dbraw/zinc/35/48/78/273354878.db2.gz QBNDSOWNSYAOOZ-SNVBAGLBSA-N 1 0 345.802 2.776 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000280738675 273361435 /nfs/dbraw/zinc/36/14/35/273361435.db2.gz OBQDHMVGCRYUGP-UHFFFAOYSA-N 1 0 349.460 2.546 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000280754721 273363309 /nfs/dbraw/zinc/36/33/09/273363309.db2.gz DZRBSKWDIHTAGD-XNJGSVPQSA-N 1 0 334.416 2.552 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280766807 273364535 /nfs/dbraw/zinc/36/45/35/273364535.db2.gz BKJBCTGSBXXESF-ZDUSSCGKSA-N 1 0 342.399 2.727 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280884543 273377534 /nfs/dbraw/zinc/37/75/34/273377534.db2.gz BDHTVOAEHOVVKL-MYODQAERSA-N 1 0 340.445 2.945 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCC1 ZINC000281359928 273427286 /nfs/dbraw/zinc/42/72/86/273427286.db2.gz NDZSXOWAPUYCGD-ZDUSSCGKSA-N 1 0 343.383 2.955 20 5 EFBDRO CSc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000281413302 273432993 /nfs/dbraw/zinc/43/29/93/273432993.db2.gz OGHZEQWXJGSGTR-LBPRGKRZSA-N 1 0 333.413 2.829 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000283106613 273669792 /nfs/dbraw/zinc/66/97/92/273669792.db2.gz MEJMYPKOWPWBAR-JKSUJKDBSA-N 1 0 339.436 2.746 20 5 EFBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414332408 273710419 /nfs/dbraw/zinc/71/04/19/273710419.db2.gz DRZOIJUISCCNAZ-HNNXBMFYSA-N 1 0 340.445 2.732 20 5 EFBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000106385661 273754901 /nfs/dbraw/zinc/75/49/01/273754901.db2.gz XTGHFEDYNZJSQK-LBPRGKRZSA-N 1 0 347.337 2.507 20 5 EFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000284108203 273798066 /nfs/dbraw/zinc/79/80/66/273798066.db2.gz CCXKBOFFJRDDNM-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014454 273926500 /nfs/dbraw/zinc/92/65/00/273926500.db2.gz HGJZCWUPKBWQLI-RBOXIYTFSA-N 1 0 337.445 2.882 20 5 EFBDRO CCn1cc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000285134382 273947823 /nfs/dbraw/zinc/94/78/23/273947823.db2.gz SMZSGULAPCQDST-UHFFFAOYSA-N 1 0 344.415 2.897 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339125413 273951916 /nfs/dbraw/zinc/95/19/16/273951916.db2.gz VJWGUTJUSSMBKK-YPMHNXCESA-N 1 0 345.321 2.618 20 5 EFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000285545717 274022458 /nfs/dbraw/zinc/02/24/58/274022458.db2.gz QHUGTZYIJFDZBY-QGZVFWFLSA-N 1 0 346.383 2.695 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000131912387 274035024 /nfs/dbraw/zinc/03/50/24/274035024.db2.gz CKZIGIFBXBJWHG-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285603941 274035676 /nfs/dbraw/zinc/03/56/76/274035676.db2.gz VJNKNKGEMNAMKK-NNQSOWQGSA-N 1 0 334.376 2.560 20 5 EFBDRO NC(=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000285649866 274045319 /nfs/dbraw/zinc/04/53/19/274045319.db2.gz OOAASYORPMURNU-HNNXBMFYSA-N 1 0 341.358 2.787 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738246 274052151 /nfs/dbraw/zinc/05/21/51/274052151.db2.gz UTLGUXGWPGYJIS-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO CN(CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685528 274052675 /nfs/dbraw/zinc/05/26/75/274052675.db2.gz OEXDVMCGQFZSJP-GOSISDBHSA-N 1 0 347.415 2.675 20 5 EFBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000285792306 274076129 /nfs/dbraw/zinc/07/61/29/274076129.db2.gz MISZPRPAYYJAGS-WFASDCNBSA-N 1 0 347.415 2.611 20 5 EFBDRO COc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc([N+](=O)[O-])c1C ZINC000190235974 274091372 /nfs/dbraw/zinc/09/13/72/274091372.db2.gz SWZNJNAFSZNCEM-UHFFFAOYSA-N 1 0 349.431 2.764 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000285912732 274099089 /nfs/dbraw/zinc/09/90/89/274099089.db2.gz SKJPNFFTJLFTNG-IVFUDNFBSA-N 1 0 329.400 2.693 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285919618 274100391 /nfs/dbraw/zinc/10/03/91/274100391.db2.gz DWHXWRSUMVWUTO-HNNXBMFYSA-N 1 0 346.431 2.539 20 5 EFBDRO O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285962568 274107744 /nfs/dbraw/zinc/10/77/44/274107744.db2.gz KUFWUBUIEXUANX-UHFFFAOYSA-N 1 0 326.316 2.714 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285985156 274112289 /nfs/dbraw/zinc/11/22/89/274112289.db2.gz XKQAOISHKHXRNW-DZGCQCFKSA-N 1 0 349.456 2.772 20 5 EFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]2C ZINC000359538377 274127047 /nfs/dbraw/zinc/12/70/47/274127047.db2.gz AWUJSQQHLHEGAQ-QWHCGFSZSA-N 1 0 330.388 2.808 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091560 274131705 /nfs/dbraw/zinc/13/17/05/274131705.db2.gz SVRTUASDAQWTOF-KGLIPLIRSA-N 1 0 335.404 2.549 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000286112835 274135863 /nfs/dbraw/zinc/13/58/63/274135863.db2.gz GAYOZNYAGDOZLX-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420260939 274140216 /nfs/dbraw/zinc/14/02/16/274140216.db2.gz OPCWOGNVVJEWFS-RYUDHWBXSA-N 1 0 330.388 2.715 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000286170268 274146711 /nfs/dbraw/zinc/14/67/11/274146711.db2.gz KDZINLLSSYDSDZ-HOCLYGCPSA-N 1 0 337.395 2.914 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000286334898 274180577 /nfs/dbraw/zinc/18/05/77/274180577.db2.gz VNHYGSNVTWFNAX-PWSUYJOCSA-N 1 0 333.417 2.520 20 5 EFBDRO CC[NH+](CC)CCCCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286389113 274190854 /nfs/dbraw/zinc/19/08/54/274190854.db2.gz SZCYDQRISIQOFL-UHFFFAOYSA-N 1 0 338.408 2.619 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000286412901 274195864 /nfs/dbraw/zinc/19/58/64/274195864.db2.gz AWNMZNSHTMPEID-NSHDSACASA-N 1 0 333.417 2.664 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286440542 274201971 /nfs/dbraw/zinc/20/19/71/274201971.db2.gz OFGVOXYNCYSAFX-CMPLNLGQSA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286588469 274231150 /nfs/dbraw/zinc/23/11/50/274231150.db2.gz YUEJCKPMQBKUEN-WFASDCNBSA-N 1 0 344.415 2.543 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286588464 274231182 /nfs/dbraw/zinc/23/11/82/274231182.db2.gz YUEJCKPMQBKUEN-SWLSCSKDSA-N 1 0 344.415 2.543 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000449127063 274231837 /nfs/dbraw/zinc/23/18/37/274231837.db2.gz WBEXWZNKBPOKBI-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000286615658 274236171 /nfs/dbraw/zinc/23/61/71/274236171.db2.gz VQRBJHRANABPSO-GFCCVEGCSA-N 1 0 347.444 2.768 20 5 EFBDRO C[NH+](C)CCOc1cc(CNc2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000286631178 274239407 /nfs/dbraw/zinc/23/94/07/274239407.db2.gz WPBXVMLANVDOBV-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000286693742 274252672 /nfs/dbraw/zinc/25/26/72/274252672.db2.gz DHDXDVMZUBBCNV-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444612289 274267103 /nfs/dbraw/zinc/26/71/03/274267103.db2.gz SYWLVEGQFRKSMY-GFCCVEGCSA-N 1 0 332.404 2.987 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286757270 274267174 /nfs/dbraw/zinc/26/71/74/274267174.db2.gz FQBXXMFVAJHZLD-WFASDCNBSA-N 1 0 337.395 2.801 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286823987 274280567 /nfs/dbraw/zinc/28/05/67/274280567.db2.gz CPCAQDQWRLMTAB-UKRRQHHQSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286930272 274303033 /nfs/dbraw/zinc/30/30/33/274303033.db2.gz LJAUAUVVCVMWEK-OCCSQVGLSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286930947 274303385 /nfs/dbraw/zinc/30/33/85/274303385.db2.gz DSRAWHCILQDWKM-RHSMWYFYSA-N 1 0 331.416 2.531 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286938080 274305105 /nfs/dbraw/zinc/30/51/05/274305105.db2.gz LWDLXQUKHPXPMZ-IUODEOHRSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286985206 274315367 /nfs/dbraw/zinc/31/53/67/274315367.db2.gz DMUZUKAUJUQPAI-UKRRQHHQSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286987902 274316275 /nfs/dbraw/zinc/31/62/75/274316275.db2.gz OXMAYTGVKMRMCL-ZFWWWQNUSA-N 1 0 332.404 2.994 20 5 EFBDRO COc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287018802 274323188 /nfs/dbraw/zinc/32/31/88/274323188.db2.gz GGIRQHJUFACKBU-JSGCOSHPSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287018806 274323195 /nfs/dbraw/zinc/32/31/95/274323195.db2.gz GGIRQHJUFACKBU-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287025562 274324824 /nfs/dbraw/zinc/32/48/24/274324824.db2.gz IBCKMRDJIXAGFO-SJKOYZFVSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000287031971 274326150 /nfs/dbraw/zinc/32/61/50/274326150.db2.gz IIQMWXUBNNHWKT-FNHJVCLDSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000268162489 274335209 /nfs/dbraw/zinc/33/52/09/274335209.db2.gz OUWKYCCWVAKXPE-BXKDBHETSA-N 1 0 343.225 2.529 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000287102276 274342521 /nfs/dbraw/zinc/34/25/21/274342521.db2.gz ZFPRJLZFCPAKKG-NSHDSACASA-N 1 0 333.417 2.664 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268184916 274343947 /nfs/dbraw/zinc/34/39/47/274343947.db2.gz MBESBCVKBJIPNQ-QMTHXVAHSA-N 1 0 329.356 2.554 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287138939 274351882 /nfs/dbraw/zinc/35/18/82/274351882.db2.gz ZCZKHAUXYPXUMS-ZFWWWQNUSA-N 1 0 332.404 2.994 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000287239024 274375786 /nfs/dbraw/zinc/37/57/86/274375786.db2.gz JQFFILNUNHHXNM-NSHDSACASA-N 1 0 333.417 2.522 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287244605 274376874 /nfs/dbraw/zinc/37/68/74/274376874.db2.gz RFGQAMFZOKDMPZ-XJKSGUPXSA-N 1 0 349.456 2.772 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287253058 274378525 /nfs/dbraw/zinc/37/85/25/274378525.db2.gz HKAXTMKFCMABOD-AWEZNQCLSA-N 1 0 336.436 2.509 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000266047790 274386689 /nfs/dbraw/zinc/38/66/89/274386689.db2.gz FKXOBBPIROENKJ-NEPJUHHUSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132069943 274396082 /nfs/dbraw/zinc/39/60/82/274396082.db2.gz VVVWNQZUEFBRMX-GDBMZVCRSA-N 1 0 327.384 2.635 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287826203 274491624 /nfs/dbraw/zinc/49/16/24/274491624.db2.gz LBOVPCKTHHVQDU-UHFFFAOYSA-N 1 0 347.400 2.761 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000288301580 274566435 /nfs/dbraw/zinc/56/64/35/274566435.db2.gz CDNVFXYDYVLVHF-KRWDZBQOSA-N 1 0 347.419 2.500 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccncc2OCCC[NH+](C)C)n1 ZINC000288353592 274575681 /nfs/dbraw/zinc/57/56/81/274575681.db2.gz XDESBXVZMAIHOB-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccs1 ZINC000288909671 274677767 /nfs/dbraw/zinc/67/77/67/274677767.db2.gz ONPGQACETBIUKD-UHFFFAOYSA-N 1 0 337.449 2.749 20 5 EFBDRO Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360066031 274719048 /nfs/dbraw/zinc/71/90/48/274719048.db2.gz MSMVDHCEFAAAFW-ZDUSSCGKSA-N 1 0 325.384 2.547 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289787115 274821863 /nfs/dbraw/zinc/82/18/63/274821863.db2.gz YKPXENLJYCBFGQ-HIFRSBDPSA-N 1 0 339.823 2.841 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCCC1 ZINC000110436974 274978062 /nfs/dbraw/zinc/97/80/62/274978062.db2.gz FOOMDLTUVHFNOM-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000094006585 275041388 /nfs/dbraw/zinc/04/13/88/275041388.db2.gz URMPQGFYNQNANR-NXEZZACHSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250784949 275041474 /nfs/dbraw/zinc/04/14/74/275041474.db2.gz URMPQGFYNQNANR-ZJUUUORDSA-N 1 0 341.209 2.791 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000343981186 275474571 /nfs/dbraw/zinc/47/45/71/275474571.db2.gz JOIQGOMNKRCQJT-XGWTYTTDSA-N 1 0 331.416 2.892 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447575859 275705823 /nfs/dbraw/zinc/70/58/23/275705823.db2.gz VGRVMFDFCAZSIF-FMKPAKJESA-N 1 0 336.436 2.662 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343640422 276011990 /nfs/dbraw/zinc/01/19/90/276011990.db2.gz MUUKXEJBWDNIPD-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000451315590 276067912 /nfs/dbraw/zinc/06/79/12/276067912.db2.gz RKLQBRCESTTYKC-AWEZNQCLSA-N 1 0 327.812 2.841 20 5 EFBDRO CC1(C)CCCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565132 276104782 /nfs/dbraw/zinc/10/47/82/276104782.db2.gz IXQRTDNKDBHGSL-HZPDHXFCSA-N 1 0 349.479 2.987 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412148371 276114553 /nfs/dbraw/zinc/11/45/53/276114553.db2.gz IGTSNHVUJJONHG-IXDOHACOSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000079996113 276130322 /nfs/dbraw/zinc/13/03/22/276130322.db2.gz IBCKVPMHBSDOJJ-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531654 276157700 /nfs/dbraw/zinc/15/77/00/276157700.db2.gz SCBCXZMELHOREX-PMPSAXMXSA-N 1 0 335.452 2.739 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177037387 276181661 /nfs/dbraw/zinc/18/16/61/276181661.db2.gz MCJKMICNWILQTE-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000358910356 276268298 /nfs/dbraw/zinc/26/82/98/276268298.db2.gz BVWZFHCQPPHLOR-KGLIPLIRSA-N 1 0 348.447 2.559 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000264037759 276308884 /nfs/dbraw/zinc/30/88/84/276308884.db2.gz OWTCUPZXZPMCNC-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523711 276417147 /nfs/dbraw/zinc/41/71/47/276417147.db2.gz FQGZXLDQTNCTQF-CHWSQXEVSA-N 1 0 337.395 2.780 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000423986080 276680165 /nfs/dbraw/zinc/68/01/65/276680165.db2.gz VOXXCRNLDNXDGU-INIZCTEOSA-N 1 0 327.384 2.895 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000171752112 276878587 /nfs/dbraw/zinc/87/85/87/276878587.db2.gz UKHIOLJMTHFCSE-ZDUSSCGKSA-N 1 0 331.397 2.789 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000269115731 277182537 /nfs/dbraw/zinc/18/25/37/277182537.db2.gz NGGKYAMNTZQLSU-PXAZEXFGSA-N 1 0 342.399 2.632 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000375057852 277280445 /nfs/dbraw/zinc/28/04/45/277280445.db2.gz DLVZAGDFTFUJML-JQWIXIFHSA-N 1 0 337.376 2.582 20 5 EFBDRO COC(=O)[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000344981179 277396718 /nfs/dbraw/zinc/39/67/18/277396718.db2.gz HMMOTPZQXHEYLI-AAEUAGOBSA-N 1 0 329.356 2.839 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343600585 277974225 /nfs/dbraw/zinc/97/42/25/277974225.db2.gz DILYNDYKKFXGOE-CHWSQXEVSA-N 1 0 327.388 2.601 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000433769318 278001895 /nfs/dbraw/zinc/00/18/95/278001895.db2.gz SVAJTURNBVGRJU-NSHDSACASA-N 1 0 339.440 2.538 20 5 EFBDRO CC(C)c1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000435058069 278035272 /nfs/dbraw/zinc/03/52/72/278035272.db2.gz SGJDILIBBIDUCG-OAHLLOKOSA-N 1 0 335.448 2.871 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356741729 278171976 /nfs/dbraw/zinc/17/19/76/278171976.db2.gz LXRJAOKFTRPEJK-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000182098573 278240810 /nfs/dbraw/zinc/24/08/10/278240810.db2.gz DVKUFYRVPVFJRY-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246435007 278267039 /nfs/dbraw/zinc/26/70/39/278267039.db2.gz DAJIIBXEGKLXQP-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448981586 278366228 /nfs/dbraw/zinc/36/62/28/278366228.db2.gz UIHWKVBZTFNGSQ-JTQLQIEISA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000192715548 278383537 /nfs/dbraw/zinc/38/35/37/278383537.db2.gz KBSCSHRSGCMKRO-DYVFJYSZSA-N 1 0 331.416 2.963 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352802338 278900454 /nfs/dbraw/zinc/90/04/54/278900454.db2.gz VOUMHFZAPUEBQD-TZMCWYRMSA-N 1 0 329.404 2.530 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449057086 278989170 /nfs/dbraw/zinc/98/91/70/278989170.db2.gz AVEGUYNYDANJDB-WMZOPIPTSA-N 1 0 349.475 2.862 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269356863 279100600 /nfs/dbraw/zinc/10/06/00/279100600.db2.gz IGDZDMGHUJINLI-GFCCVEGCSA-N 1 0 339.440 2.682 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC[N@@H+]1C ZINC000444302940 279124689 /nfs/dbraw/zinc/12/46/89/279124689.db2.gz SKYSELMNQHYDNC-CXAGYDPISA-N 1 0 349.434 2.894 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183626438 279282272 /nfs/dbraw/zinc/28/22/72/279282272.db2.gz VMDVPTPMQGIKMY-CYBMUJFWSA-N 1 0 343.387 2.632 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000449154071 279382281 /nfs/dbraw/zinc/38/22/81/279382281.db2.gz LROFWALKKPWMNI-VNQPRFMTSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529613 279534943 /nfs/dbraw/zinc/53/49/43/279534943.db2.gz QMZUMDMIPLJPPB-GWCFXTLKSA-N 1 0 345.321 2.799 20 5 EFBDRO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413259077 280016543 /nfs/dbraw/zinc/01/65/43/280016543.db2.gz HMGUUACSOGQMSK-LBPRGKRZSA-N 1 0 332.326 2.785 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC[N@@H+]1C ZINC000444302942 280106095 /nfs/dbraw/zinc/10/60/95/280106095.db2.gz SKYSELMNQHYDNC-GUYCJALGSA-N 1 0 349.434 2.894 20 5 EFBDRO CC[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000170639613 280146417 /nfs/dbraw/zinc/14/64/17/280146417.db2.gz KZBXJFZCIMHGRM-ZDUSSCGKSA-N 1 0 332.404 2.766 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423719880 280156621 /nfs/dbraw/zinc/15/66/21/280156621.db2.gz NIEQANWPLXOAHV-VXGBXAGGSA-N 1 0 337.807 2.710 20 5 EFBDRO Cc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363664957 280300530 /nfs/dbraw/zinc/30/05/30/280300530.db2.gz LKZVXRWNEPYCLK-SCLBCKFNSA-N 1 0 343.383 2.623 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000343969947 280894833 /nfs/dbraw/zinc/89/48/33/280894833.db2.gz CVROEGGURLEHKE-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)n1 ZINC000343693096 281012337 /nfs/dbraw/zinc/01/23/37/281012337.db2.gz ABDFOFBGBBOHSJ-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192571388 281058264 /nfs/dbraw/zinc/05/82/64/281058264.db2.gz NGXBZPCWKJFOCW-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456373443 281163343 /nfs/dbraw/zinc/16/33/43/281163343.db2.gz IOTSGTGPJIHRTH-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000342753718 281256836 /nfs/dbraw/zinc/25/68/36/281256836.db2.gz HLFJJLILPWBCNR-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO CCc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000364564214 281394273 /nfs/dbraw/zinc/39/42/73/281394273.db2.gz VZDZDWOUJCWRDQ-UHFFFAOYSA-N 1 0 331.416 2.763 20 5 EFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000262167694 281430122 /nfs/dbraw/zinc/43/01/22/281430122.db2.gz HMSLUVNJVKMLRG-CQSZACIVSA-N 1 0 329.356 2.537 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000068116597 292701149 /nfs/dbraw/zinc/70/11/49/292701149.db2.gz UZQLETHMYFSCBS-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000187889068 289042509 /nfs/dbraw/zinc/04/25/09/289042509.db2.gz YELNNKTXYCLNIY-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000072729557 292719760 /nfs/dbraw/zinc/71/97/60/292719760.db2.gz LDCXUIZGFYWLQA-UHFFFAOYSA-N 1 0 327.384 2.799 20 5 EFBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000350674783 289519293 /nfs/dbraw/zinc/51/92/93/289519293.db2.gz CSQHICSXNSCUIO-MRVPVSSYSA-N 1 0 334.298 2.685 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000079694286 292793006 /nfs/dbraw/zinc/79/30/06/292793006.db2.gz ODGYURLEZPEXDX-IAQYHMDHSA-N 1 0 337.445 2.532 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000112925253 292874239 /nfs/dbraw/zinc/87/42/39/292874239.db2.gz MDRHYFSTGJTOAH-VOTSOKGWSA-N 1 0 331.416 2.798 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000122140621 292958807 /nfs/dbraw/zinc/95/88/07/292958807.db2.gz JGYJHRGJRLUMNV-QAPCUYQASA-N 1 0 335.448 2.992 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125918784 293020561 /nfs/dbraw/zinc/02/05/61/293020561.db2.gz QVNWAXTZXDUPIS-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000126288344 293034609 /nfs/dbraw/zinc/03/46/09/293034609.db2.gz ULCSFVPGUSOTHS-LBPRGKRZSA-N 1 0 325.434 2.631 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000126555458 293043182 /nfs/dbraw/zinc/04/31/82/293043182.db2.gz IKTLBVFTCCXLQG-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000127040632 293057155 /nfs/dbraw/zinc/05/71/55/293057155.db2.gz CALBGYHGUHDMBZ-UHFFFAOYSA-N 1 0 329.347 2.722 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCCCCC1 ZINC000129820579 293144632 /nfs/dbraw/zinc/14/46/32/293144632.db2.gz CTVFVJZQGHKBNN-CQSZACIVSA-N 1 0 349.431 2.987 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000130367995 293163282 /nfs/dbraw/zinc/16/32/82/293163282.db2.gz FPDADWFUYDDANY-OCCSQVGLSA-N 1 0 346.431 2.754 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](CC)C1CC1 ZINC000130790171 293178201 /nfs/dbraw/zinc/17/82/01/293178201.db2.gz CNAVXSJIDQYUDK-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000132324739 293223786 /nfs/dbraw/zinc/22/37/86/293223786.db2.gz MILFLDMESFWNGG-LLVKDONJSA-N 1 0 337.445 2.919 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](CC)CC ZINC000133080831 293246461 /nfs/dbraw/zinc/24/64/61/293246461.db2.gz QOLIUJCUGOKADU-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000134083418 293277246 /nfs/dbraw/zinc/27/72/46/293277246.db2.gz HGXYRGFEMPALET-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO C[C@H]1CCCN1C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153292676 293369280 /nfs/dbraw/zinc/36/92/80/293369280.db2.gz JJCNFEWWGYVGPB-AWEZNQCLSA-N 1 0 331.416 2.960 20 5 EFBDRO COc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000154059983 293407448 /nfs/dbraw/zinc/40/74/48/293407448.db2.gz LZGZEEDUOJSEME-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155890208 293490811 /nfs/dbraw/zinc/49/08/11/293490811.db2.gz UJQLGNKXAZHSGQ-UHFFFAOYSA-N 1 0 330.388 2.557 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000248589708 293748810 /nfs/dbraw/zinc/74/88/10/293748810.db2.gz KQCHZXKOQSXQQC-WWGRRREGSA-N 1 0 335.404 2.777 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255366467 293851642 /nfs/dbraw/zinc/85/16/42/293851642.db2.gz DFFSJZBNGYBNAQ-LZNQSLFOSA-N 1 0 329.400 2.552 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289997714 293970032 /nfs/dbraw/zinc/97/00/32/293970032.db2.gz XWOGIMZCNBEBLN-VQIMIIECSA-N 1 0 342.395 2.859 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000290060014 293989000 /nfs/dbraw/zinc/98/90/00/293989000.db2.gz YDUXNRMHDQATDT-TZMCWYRMSA-N 1 0 335.379 2.741 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000290086850 293995966 /nfs/dbraw/zinc/99/59/66/293995966.db2.gz WNHPDBCWQKZIOY-DLBZAZTESA-N 1 0 333.432 2.668 20 5 EFBDRO CC(C)(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000290130893 294007507 /nfs/dbraw/zinc/00/75/07/294007507.db2.gz LTIRWPXWVAZNET-OAHLLOKOSA-N 1 0 345.443 2.721 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290427264 294084230 /nfs/dbraw/zinc/08/42/30/294084230.db2.gz JXQQGQHTJJLKBO-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO CCOC1CC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290548863 294117075 /nfs/dbraw/zinc/11/70/75/294117075.db2.gz RRNNPLMAKTYMNO-UHFFFAOYSA-N 1 0 344.415 2.995 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290552976 294118181 /nfs/dbraw/zinc/11/81/81/294118181.db2.gz JJNCLDALXXLMBT-CYBMUJFWSA-N 1 0 346.431 2.855 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000290851339 294202957 /nfs/dbraw/zinc/20/29/57/294202957.db2.gz XJMBZEUBIYFJAT-YOEHRIQHSA-N 1 0 332.400 2.599 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000290925975 294221953 /nfs/dbraw/zinc/22/19/53/294221953.db2.gz RDRHFOICTUKWMQ-ZDUSSCGKSA-N 1 0 349.214 2.779 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000291113566 294279858 /nfs/dbraw/zinc/27/98/58/294279858.db2.gz GQSSHLDXDUTGCS-CQSZACIVSA-N 1 0 336.436 2.507 20 5 EFBDRO CCc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC000291120648 294281699 /nfs/dbraw/zinc/28/16/99/294281699.db2.gz UWFVUOGDXJEOBF-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291505975 294399571 /nfs/dbraw/zinc/39/95/71/294399571.db2.gz WHIVXBBFFBVWLB-UHFFFAOYSA-N 1 0 332.187 2.679 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377658939 294458714 /nfs/dbraw/zinc/45/87/14/294458714.db2.gz YTNKVQQDAYLRPD-UKRRQHHQSA-N 1 0 349.822 2.517 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291978345 294540400 /nfs/dbraw/zinc/54/04/00/294540400.db2.gz QOGWLYWMEKXJCP-QMMMGPOBSA-N 1 0 334.203 2.972 20 5 EFBDRO O=C(C[NH+](C1CCC1)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000292120559 294586298 /nfs/dbraw/zinc/58/62/98/294586298.db2.gz ALAGRSAANVCQSU-UHFFFAOYSA-N 1 0 347.371 2.669 20 5 EFBDRO COCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292505044 294704563 /nfs/dbraw/zinc/70/45/63/294704563.db2.gz GBQFPIXKFYEMON-UHFFFAOYSA-N 1 0 325.384 2.955 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292833878 294799190 /nfs/dbraw/zinc/79/91/90/294799190.db2.gz YADKJYWXLCTWCI-NSHDSACASA-N 1 0 327.812 2.890 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cs1 ZINC000292964921 294838132 /nfs/dbraw/zinc/83/81/32/294838132.db2.gz LSJPRCINFZVWPT-UHFFFAOYSA-N 1 0 333.413 2.783 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000293039430 294860664 /nfs/dbraw/zinc/86/06/64/294860664.db2.gz LXUGFKRPTJPRDO-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])cc1F ZINC000293241526 294917932 /nfs/dbraw/zinc/91/79/32/294917932.db2.gz YZAXRTTUHCWJSF-HNNXBMFYSA-N 1 0 326.368 2.629 20 5 EFBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293582688 295004854 /nfs/dbraw/zinc/00/48/54/295004854.db2.gz TXDDFUUSQOJPRE-VIFPVBQESA-N 1 0 334.294 2.855 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000293587919 295005370 /nfs/dbraw/zinc/00/53/70/295005370.db2.gz XEUQXUKILJJSKT-OLZOCXBDSA-N 1 0 346.431 2.754 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000293614386 295011792 /nfs/dbraw/zinc/01/17/92/295011792.db2.gz PWZUTEUUKAINDC-KRWDZBQOSA-N 1 0 332.375 2.812 20 5 EFBDRO COCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000293772281 295046331 /nfs/dbraw/zinc/04/63/31/295046331.db2.gz SQPSAIIUHLDSJE-OAHLLOKOSA-N 1 0 336.432 2.949 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000293786332 295049611 /nfs/dbraw/zinc/04/96/11/295049611.db2.gz ZYXMAKSLNPDYJL-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCCC1 ZINC000293807132 295053533 /nfs/dbraw/zinc/05/35/33/295053533.db2.gz NXSKJGBBYGNJLB-UHFFFAOYSA-N 1 0 345.321 2.891 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cnn(C)n1 ZINC000293806390 295053939 /nfs/dbraw/zinc/05/39/39/295053939.db2.gz VIUWTOPLGHCUON-CYBMUJFWSA-N 1 0 349.460 2.816 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000293818635 295056680 /nfs/dbraw/zinc/05/66/80/295056680.db2.gz CQQAXAPGWSOKBB-ZHACJKMWSA-N 1 0 331.416 2.990 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293840867 295061249 /nfs/dbraw/zinc/06/12/49/295061249.db2.gz FIHLFBNHBHWLKE-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000293840710 295061310 /nfs/dbraw/zinc/06/13/10/295061310.db2.gz SWCAUKHMEGULEQ-OPFPJEHXSA-N 1 0 340.445 2.849 20 5 EFBDRO COc1cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911286 295077407 /nfs/dbraw/zinc/07/74/07/295077407.db2.gz FYYCBSJXUDKTMB-ROUUACIJSA-N 1 0 348.399 2.755 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000294011827 295097902 /nfs/dbraw/zinc/09/79/02/295097902.db2.gz UWHKDWDNXVEQOU-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294059491 295104545 /nfs/dbraw/zinc/10/45/45/295104545.db2.gz UXGJKVRWCBZJLO-FRRDWIJNSA-N 1 0 337.445 2.626 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000294149380 295119157 /nfs/dbraw/zinc/11/91/57/295119157.db2.gz OUJXUAYXQBMPES-KGLIPLIRSA-N 1 0 348.321 2.897 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294226174 295131256 /nfs/dbraw/zinc/13/12/56/295131256.db2.gz RIJRPLNKFAGXIZ-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294239611 295133464 /nfs/dbraw/zinc/13/34/64/295133464.db2.gz CECVQKSYGBTMQP-INIZCTEOSA-N 1 0 335.448 2.803 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000294242239 295133881 /nfs/dbraw/zinc/13/38/81/295133881.db2.gz ZVRQBKRGCDKRPY-KRWDZBQOSA-N 1 0 334.416 2.561 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000294242244 295133975 /nfs/dbraw/zinc/13/39/75/295133975.db2.gz ZVRQBKRGCDKRPY-QGZVFWFLSA-N 1 0 334.416 2.561 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000294263464 295137520 /nfs/dbraw/zinc/13/75/20/295137520.db2.gz VEJBUNRSGKEKOT-SFHVURJKSA-N 1 0 332.375 2.812 20 5 EFBDRO CC(C)(CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N+](=O)[O-] ZINC000294488254 295175000 /nfs/dbraw/zinc/17/50/00/295175000.db2.gz NDZATDZERKHHLT-UHFFFAOYSA-N 1 0 347.459 2.645 20 5 EFBDRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000294541635 295183374 /nfs/dbraw/zinc/18/33/74/295183374.db2.gz VBZXMENGTWEJPN-UHFFFAOYSA-N 1 0 341.383 2.591 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294599359 295192210 /nfs/dbraw/zinc/19/22/10/295192210.db2.gz UYFCFPYQSSIEGW-AWEZNQCLSA-N 1 0 347.415 2.548 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294652266 295200869 /nfs/dbraw/zinc/20/08/69/295200869.db2.gz HNCXBSFDJXWLQJ-ZDUSSCGKSA-N 1 0 325.409 2.614 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000294665592 295203550 /nfs/dbraw/zinc/20/35/50/295203550.db2.gz SFTZJJHGGCXAQP-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294823081 295233014 /nfs/dbraw/zinc/23/30/14/295233014.db2.gz CUDZIVIESDHPFW-LBPRGKRZSA-N 1 0 339.823 2.970 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)c2ccccn2)c([N+](=O)[O-])cc1O ZINC000294840265 295235352 /nfs/dbraw/zinc/23/53/52/295235352.db2.gz QZVXSLATWBARRF-UHFFFAOYSA-N 1 0 331.372 2.771 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294870463 295238968 /nfs/dbraw/zinc/23/89/68/295238968.db2.gz GVZDDEUKYWUSOM-LSDHHAIUSA-N 1 0 347.415 2.547 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000418613395 295242614 /nfs/dbraw/zinc/24/26/14/295242614.db2.gz FKYCUZWKVRDXLS-MRXNPFEDSA-N 1 0 346.431 2.786 20 5 EFBDRO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000294917870 295245609 /nfs/dbraw/zinc/24/56/09/295245609.db2.gz YNBCSSSKJHAROR-JKSUJKDBSA-N 1 0 339.395 2.684 20 5 EFBDRO CCOc1cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000294950723 295250091 /nfs/dbraw/zinc/25/00/91/295250091.db2.gz ASSWXNGUPLCOGC-CQSZACIVSA-N 1 0 333.432 2.910 20 5 EFBDRO COc1cc(CN(C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000295053636 295262240 /nfs/dbraw/zinc/26/22/40/295262240.db2.gz NSUGMKPNMWKLMG-INIZCTEOSA-N 1 0 346.383 2.777 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C[NH+](C)C)C1 ZINC000295099521 295268073 /nfs/dbraw/zinc/26/80/73/295268073.db2.gz TYHHKFUDCQZBPN-LBPRGKRZSA-N 1 0 330.388 2.540 20 5 EFBDRO C[C@H]([N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)O ZINC000295104228 295268562 /nfs/dbraw/zinc/26/85/62/295268562.db2.gz GUBGGRXHZAUNNT-LBPRGKRZSA-N 1 0 333.388 2.884 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000295116993 295269886 /nfs/dbraw/zinc/26/98/86/295269886.db2.gz ZAAAGHNHNCCPBB-LLVKDONJSA-N 1 0 325.796 2.723 20 5 EFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295121130 295270441 /nfs/dbraw/zinc/27/04/41/295270441.db2.gz WURFRGZMRZYVFK-DOTOQJQBSA-N 1 0 347.459 2.849 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295136984 295273059 /nfs/dbraw/zinc/27/30/59/295273059.db2.gz OCUPNOZFXMRLOO-QMTHXVAHSA-N 1 0 337.807 2.769 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295137009 295273131 /nfs/dbraw/zinc/27/31/31/295273131.db2.gz PGYCAWCUSZQFQK-NHAGDIPZSA-N 1 0 333.388 2.550 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295136982 295273244 /nfs/dbraw/zinc/27/32/44/295273244.db2.gz OCUPNOZFXMRLOO-HZMBPMFUSA-N 1 0 337.807 2.769 20 5 EFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295204287 295281881 /nfs/dbraw/zinc/28/18/81/295281881.db2.gz KQXOASYMPBMXBO-VNHYZAJKSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC(C)(C)CO ZINC000295211372 295282867 /nfs/dbraw/zinc/28/28/67/295282867.db2.gz MFFJAZBRNSQVMF-LLVKDONJSA-N 1 0 334.376 2.656 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC(C)(C)CO ZINC000295233179 295285823 /nfs/dbraw/zinc/28/58/23/295285823.db2.gz ONZJWZKSTXOGJJ-SNVBAGLBSA-N 1 0 343.811 2.526 20 5 EFBDRO Cc1nc(NC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000295241052 295286596 /nfs/dbraw/zinc/28/65/96/295286596.db2.gz GBJBASXLMIHAFE-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295260043 295289131 /nfs/dbraw/zinc/28/91/31/295289131.db2.gz KUMFQODXFULJKV-MRXNPFEDSA-N 1 0 347.459 2.945 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000295300478 295296086 /nfs/dbraw/zinc/29/60/86/295296086.db2.gz KDUVFJTYGMGDGN-MRXNPFEDSA-N 1 0 337.807 2.724 20 5 EFBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295323134 295300754 /nfs/dbraw/zinc/30/07/54/295300754.db2.gz LDXBWTAPGYEBHO-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295463800 295324750 /nfs/dbraw/zinc/32/47/50/295324750.db2.gz XNQTXABDGGEBBS-HNNXBMFYSA-N 1 0 347.415 2.547 20 5 EFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295474251 295326600 /nfs/dbraw/zinc/32/66/00/295326600.db2.gz MDRXIGLZZIJLNB-AWEZNQCLSA-N 1 0 346.387 2.628 20 5 EFBDRO COc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159692023 295327666 /nfs/dbraw/zinc/32/76/66/295327666.db2.gz PTBAJZDGJIBGEM-QGZVFWFLSA-N 1 0 343.383 2.602 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]([NH+](C)C)C1 ZINC000295539356 295337700 /nfs/dbraw/zinc/33/77/00/295337700.db2.gz ODKMGJFLIILZNO-LBPRGKRZSA-N 1 0 330.388 2.682 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000295815985 295380394 /nfs/dbraw/zinc/38/03/94/295380394.db2.gz BOSQATRJIWLWHI-CVEARBPZSA-N 1 0 347.415 2.861 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000295821604 295381155 /nfs/dbraw/zinc/38/11/55/295381155.db2.gz BXMCCRJYDLXSQC-RHSMWYFYSA-N 1 0 335.404 2.635 20 5 EFBDRO C[C@@H](c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295836784 295383398 /nfs/dbraw/zinc/38/33/98/295383398.db2.gz AGANHCALYUOJTP-QWHCGFSZSA-N 1 0 348.447 2.852 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844441 295384805 /nfs/dbraw/zinc/38/48/05/295384805.db2.gz DGQBOBMRIBMYKQ-WKPIXPDZSA-N 1 0 346.387 2.794 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295854814 295386809 /nfs/dbraw/zinc/38/68/09/295386809.db2.gz WQDWJVADHNYLPX-FRFSOERESA-N 1 0 344.415 2.558 20 5 EFBDRO CC(C)(CCC(=O)NCCNc1ccc2ccccc2n1)[N+](=O)[O-] ZINC000295893822 295392566 /nfs/dbraw/zinc/39/25/66/295392566.db2.gz QDCSACGUNKMLQO-UHFFFAOYSA-N 1 0 330.388 2.598 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCO[C@@H]21 ZINC000296187940 295438238 /nfs/dbraw/zinc/43/82/38/295438238.db2.gz LOPSEVAFXCEBCT-YUELXQCFSA-N 1 0 344.371 2.548 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296228295 295444699 /nfs/dbraw/zinc/44/46/99/295444699.db2.gz AFPLWYDYOCXTQI-KDOFPFPSSA-N 1 0 347.459 2.754 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296326593 295458961 /nfs/dbraw/zinc/45/89/61/295458961.db2.gz QMDWWZYJYKRZRF-YOEHRIQHSA-N 1 0 335.404 2.717 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCO[C@@H]21 ZINC000296334270 295460168 /nfs/dbraw/zinc/46/01/68/295460168.db2.gz QWRQWKPNJOSUMC-YUELXQCFSA-N 1 0 344.371 2.548 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000365335857 301865440 /nfs/dbraw/zinc/86/54/40/301865440.db2.gz GYVDEQDPRPOLIY-CQSZACIVSA-N 1 0 331.416 2.909 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347480045 303018764 /nfs/dbraw/zinc/01/87/64/303018764.db2.gz SEADVUOGAGDLOZ-UHFFFAOYSA-N 1 0 335.452 2.559 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160433799 304803098 /nfs/dbraw/zinc/80/30/98/304803098.db2.gz CYEDKBNYOAPOHG-AWEZNQCLSA-N 1 0 334.376 2.958 20 5 EFBDRO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000137231683 310668080 /nfs/dbraw/zinc/66/80/80/310668080.db2.gz VYFROCSSQYFOIO-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO CCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000139822789 310672479 /nfs/dbraw/zinc/67/24/79/310672479.db2.gz GRMUPHOSJKMISG-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000171565114 310749384 /nfs/dbraw/zinc/74/93/84/310749384.db2.gz GPEXFWOETGYGOF-UHFFFAOYSA-N 1 0 339.461 2.977 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000172616954 310762236 /nfs/dbraw/zinc/76/22/36/310762236.db2.gz NVVWGHCFQYZZDV-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000173370965 310764058 /nfs/dbraw/zinc/76/40/58/310764058.db2.gz AWJJYQZDMOJIMD-ROUUACIJSA-N 1 0 344.415 2.673 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179418012 310786937 /nfs/dbraw/zinc/78/69/37/310786937.db2.gz IXEWQVXDGIDINC-UHFFFAOYSA-N 1 0 349.412 2.566 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000179572827 310788777 /nfs/dbraw/zinc/78/87/77/310788777.db2.gz NACGJGJFVVHAAO-INIZCTEOSA-N 1 0 348.374 2.999 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179875865 310792648 /nfs/dbraw/zinc/79/26/48/310792648.db2.gz ZRJUHHBNTQIGPL-JTQLQIEISA-N 1 0 341.795 2.591 20 5 EFBDRO C[NH+](C)C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000297172162 310861474 /nfs/dbraw/zinc/86/14/74/310861474.db2.gz PNIKBLJLZCBEEI-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297267569 310873738 /nfs/dbraw/zinc/87/37/38/310873738.db2.gz WLWNKSLTNSUTSE-UHFFFAOYSA-N 1 0 329.404 2.781 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297567099 310909206 /nfs/dbraw/zinc/90/92/06/310909206.db2.gz RWHLCZJKWWVRJV-UONOGXRCSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297827426 310933119 /nfs/dbraw/zinc/93/31/19/310933119.db2.gz RCCMJPCYZFJHQY-ZDUSSCGKSA-N 1 0 335.408 2.622 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1SC ZINC000298221400 310968904 /nfs/dbraw/zinc/96/89/04/310968904.db2.gz AKYYTSIHGBSBGK-YUELXQCFSA-N 1 0 326.418 2.602 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000298699679 311015671 /nfs/dbraw/zinc/01/56/71/311015671.db2.gz BPIGGDIPWHFYHH-GFCCVEGCSA-N 1 0 331.372 2.803 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000298705082 311016107 /nfs/dbraw/zinc/01/61/07/311016107.db2.gz IIYRYYRGUZTOGO-UHFFFAOYSA-N 1 0 329.404 2.713 20 5 EFBDRO CN(C)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cn1 ZINC000298741571 311019344 /nfs/dbraw/zinc/01/93/44/311019344.db2.gz SKPBPVVTGFOSGZ-UHFFFAOYSA-N 1 0 341.371 2.553 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000298873443 311030736 /nfs/dbraw/zinc/03/07/36/311030736.db2.gz VYDFFRHZYMNUSJ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000298933650 311035684 /nfs/dbraw/zinc/03/56/84/311035684.db2.gz AVYHZUHZZURZIU-HZPDHXFCSA-N 1 0 344.415 2.526 20 5 EFBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298961926 311037979 /nfs/dbraw/zinc/03/79/79/311037979.db2.gz MWICIXXCYHDLRQ-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000299045068 311044861 /nfs/dbraw/zinc/04/48/61/311044861.db2.gz NTYFNELOABIKHG-GFCCVEGCSA-N 1 0 332.360 2.674 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299175415 311059095 /nfs/dbraw/zinc/05/90/95/311059095.db2.gz WXVXDWDXTDZTSM-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000299186684 311060148 /nfs/dbraw/zinc/06/01/48/311060148.db2.gz AXBGEDDGAIVIMQ-UHFFFAOYSA-N 1 0 342.399 2.758 20 5 EFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000299201829 311061283 /nfs/dbraw/zinc/06/12/83/311061283.db2.gz GGVVLFUTWAYYRB-GOSISDBHSA-N 1 0 349.431 2.844 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000299237341 311064236 /nfs/dbraw/zinc/06/42/36/311064236.db2.gz KMNFWEGULVRVFD-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000299258320 311066252 /nfs/dbraw/zinc/06/62/52/311066252.db2.gz GKKAZPXVMQDRIG-IIDMSEBBSA-N 1 0 333.432 2.668 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299274420 311068230 /nfs/dbraw/zinc/06/82/30/311068230.db2.gz KFEQEEVHEZBGRB-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO O=C(CC[N@H+](Cc1ccncc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299728644 311114708 /nfs/dbraw/zinc/11/47/08/311114708.db2.gz VWCXSWRXWJRUON-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO C[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000301070742 311117193 /nfs/dbraw/zinc/11/71/93/311117193.db2.gz GRIQPOMYQNPRTE-UHFFFAOYSA-N 1 0 340.427 2.954 20 5 EFBDRO CC[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301215571 311124815 /nfs/dbraw/zinc/12/48/15/311124815.db2.gz ZNYSAPNCJGAJNM-UHFFFAOYSA-N 1 0 328.210 2.889 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000301274057 311128430 /nfs/dbraw/zinc/12/84/30/311128430.db2.gz KLGDVQDLFVEBDG-UKRRQHHQSA-N 1 0 335.452 2.728 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000301294795 311129696 /nfs/dbraw/zinc/12/96/96/311129696.db2.gz RQOCVXXVFBULRG-HNNXBMFYSA-N 1 0 335.452 2.585 20 5 EFBDRO Cc1ccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301509589 311141624 /nfs/dbraw/zinc/14/16/24/311141624.db2.gz HYQYKSHTENSYCP-KRWDZBQOSA-N 1 0 341.411 2.734 20 5 EFBDRO CCOc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301514611 311141801 /nfs/dbraw/zinc/14/18/01/311141801.db2.gz GCTUYJZSRMUINP-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000301539021 311143089 /nfs/dbraw/zinc/14/30/89/311143089.db2.gz NKMWVRUKERSCGG-LLVKDONJSA-N 1 0 329.198 2.504 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301548498 311143824 /nfs/dbraw/zinc/14/38/24/311143824.db2.gz QCYKKZKJADEPTR-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc1 ZINC000301601134 311147081 /nfs/dbraw/zinc/14/70/81/311147081.db2.gz ZKYAKIQOSXGSJA-UHFFFAOYSA-N 1 0 334.420 2.684 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)cc1Cl ZINC000301679656 311151854 /nfs/dbraw/zinc/15/18/54/311151854.db2.gz RMASMMHVJHJBEU-UHFFFAOYSA-N 1 0 341.795 2.933 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301860937 311163276 /nfs/dbraw/zinc/16/32/76/311163276.db2.gz DOGWUUDHNRFQFF-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301892010 311165303 /nfs/dbraw/zinc/16/53/03/311165303.db2.gz VGKACJPZKQEZEM-JKSUJKDBSA-N 1 0 345.374 2.781 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301892009 311165326 /nfs/dbraw/zinc/16/53/26/311165326.db2.gz VGKACJPZKQEZEM-HOTGVXAUSA-N 1 0 345.374 2.781 20 5 EFBDRO COC1CC[NH+](CCNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302045837 311174556 /nfs/dbraw/zinc/17/45/56/311174556.db2.gz YDKHKVFATZXBSD-UHFFFAOYSA-N 1 0 344.415 2.974 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000302146505 311180501 /nfs/dbraw/zinc/18/05/01/311180501.db2.gz IFENVASAGVZWKF-UHFFFAOYSA-N 1 0 333.436 2.722 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(OC(F)F)c1 ZINC000302160776 311181676 /nfs/dbraw/zinc/18/16/76/311181676.db2.gz PBBBBLGBAYHGNW-LBPRGKRZSA-N 1 0 325.315 2.647 20 5 EFBDRO Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302183237 311183087 /nfs/dbraw/zinc/18/30/87/311183087.db2.gz OMNXJXZWVBMQIW-ZDUSSCGKSA-N 1 0 342.399 2.933 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000302234395 311186461 /nfs/dbraw/zinc/18/64/61/311186461.db2.gz DJLOVCDTTGUXCA-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302434741 311190109 /nfs/dbraw/zinc/19/01/09/311190109.db2.gz LYYDDLZOLCUSGQ-GHMZBOCLSA-N 1 0 347.337 2.505 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000302486691 311191245 /nfs/dbraw/zinc/19/12/45/311191245.db2.gz IOGQGLLRFZRBAF-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO Cc1cccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302494359 311191578 /nfs/dbraw/zinc/19/15/78/311191578.db2.gz LIEJVJRHJPDBSP-DLBZAZTESA-N 1 0 341.411 2.951 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000302546630 311192862 /nfs/dbraw/zinc/19/28/62/311192862.db2.gz PALINEMAKKKLGQ-NSHDSACASA-N 1 0 327.812 2.530 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302632475 311194931 /nfs/dbraw/zinc/19/49/31/311194931.db2.gz CGSGMXGTCODLQC-ZDUSSCGKSA-N 1 0 340.855 2.995 20 5 EFBDRO CCCN1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000302786938 311201342 /nfs/dbraw/zinc/20/13/42/311201342.db2.gz WLTMRUTUSNAFFF-UHFFFAOYSA-N 1 0 342.399 2.900 20 5 EFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000302820960 311202641 /nfs/dbraw/zinc/20/26/41/311202641.db2.gz JUKXHEREMOQLEP-UHFFFAOYSA-N 1 0 346.431 2.585 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1CC[NH+](C)CC1 ZINC000302834642 311203705 /nfs/dbraw/zinc/20/37/05/311203705.db2.gz UDLONZXHUOAXEA-UHFFFAOYSA-N 1 0 339.367 2.664 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000305737823 311224872 /nfs/dbraw/zinc/22/48/72/311224872.db2.gz VKJOMEDCWTVVFR-GFCCVEGCSA-N 1 0 332.356 2.820 20 5 EFBDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313375671 311232292 /nfs/dbraw/zinc/23/22/92/311232292.db2.gz XMURVHIJLPFJLA-KRWDZBQOSA-N 1 0 327.384 2.750 20 5 EFBDRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000315459681 311234593 /nfs/dbraw/zinc/23/45/93/311234593.db2.gz ZCYYPSSSFOQIFV-JTQLQIEISA-N 1 0 335.385 2.731 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324168167 311241030 /nfs/dbraw/zinc/24/10/30/311241030.db2.gz FGMWJMYAUVCRBD-WBMJQRKESA-N 1 0 330.388 2.512 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000326493124 311244128 /nfs/dbraw/zinc/24/41/28/311244128.db2.gz YGXVWQVQEJPQOE-MRXNPFEDSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000326683499 311244313 /nfs/dbraw/zinc/24/43/13/311244313.db2.gz OSQJOUOZSYLUTQ-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000326628786 311244439 /nfs/dbraw/zinc/24/44/39/311244439.db2.gz UFFDUITVJDNHQU-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326611996 311244497 /nfs/dbraw/zinc/24/44/97/311244497.db2.gz JWSJQVLQVRLBOC-UTCJRWHESA-N 1 0 329.400 2.600 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000327206451 311244940 /nfs/dbraw/zinc/24/49/40/311244940.db2.gz QCVHOWVBIQEGMK-HIFRSBDPSA-N 1 0 346.431 2.725 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000327501459 311245269 /nfs/dbraw/zinc/24/52/69/311245269.db2.gz GQGWMKUPTZYTRA-MRXNPFEDSA-N 1 0 348.374 2.710 20 5 EFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327880269 311245459 /nfs/dbraw/zinc/24/54/59/311245459.db2.gz SQPHOKOXLXAEEA-KRWDZBQOSA-N 1 0 344.411 2.995 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330447524 311318322 /nfs/dbraw/zinc/31/83/22/311318322.db2.gz WCQSODFMHRIGCW-HNNXBMFYSA-N 1 0 333.432 2.887 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000330581128 311322809 /nfs/dbraw/zinc/32/28/09/311322809.db2.gz QMSUFPOLBGHXCC-KGLIPLIRSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330597510 311323688 /nfs/dbraw/zinc/32/36/88/311323688.db2.gz VUYYCCVOWSVBCQ-UTUOFQBUSA-N 1 0 325.434 2.753 20 5 EFBDRO CCOc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000330724436 311330854 /nfs/dbraw/zinc/33/08/54/311330854.db2.gz DFTHGBZQHYWATO-ZDUSSCGKSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330820261 311336829 /nfs/dbraw/zinc/33/68/29/311336829.db2.gz DIKYCTNHUOOKIR-LBPRGKRZSA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330837221 311337606 /nfs/dbraw/zinc/33/76/06/311337606.db2.gz KYUBQSQAXUMFOY-UHFFFAOYSA-N 1 0 339.823 2.591 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000331277140 311364536 /nfs/dbraw/zinc/36/45/36/311364536.db2.gz FWYUMPLVEJJIGU-RVSPLBMKSA-N 1 0 349.431 2.713 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331483983 311381617 /nfs/dbraw/zinc/38/16/17/311381617.db2.gz JVMOPTSZNZFFJL-LRDDRELGSA-N 1 0 331.416 2.931 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331979763 311440746 /nfs/dbraw/zinc/44/07/46/311440746.db2.gz SPVQSCWTGCPFLV-ZBFHGGJFSA-N 1 0 331.416 2.816 20 5 EFBDRO COCC1(C)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000332185255 311468055 /nfs/dbraw/zinc/46/80/55/311468055.db2.gz BAONPYNXMBWKOH-UHFFFAOYSA-N 1 0 336.388 2.710 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414829248 312055134 /nfs/dbraw/zinc/05/51/34/312055134.db2.gz NNSGCXSQQUEPDV-LBPRGKRZSA-N 1 0 332.429 2.808 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNCC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414903667 312060356 /nfs/dbraw/zinc/06/03/56/312060356.db2.gz KIAQVLYVMSCGLA-CYBMUJFWSA-N 1 0 332.429 2.950 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415048272 312083440 /nfs/dbraw/zinc/08/34/40/312083440.db2.gz XBGRDZWTPYNTNR-OAHLLOKOSA-N 1 0 347.440 2.791 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNCCC[NH2+]C3CC3)cs2)c1 ZINC000415071699 312087952 /nfs/dbraw/zinc/08/79/52/312087952.db2.gz UICIKMXQBCQGDX-UHFFFAOYSA-N 1 0 332.429 2.950 20 5 EFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000415118622 312097365 /nfs/dbraw/zinc/09/73/65/312097365.db2.gz DTLYFLQSGYOIGR-JQWIXIFHSA-N 1 0 329.347 2.613 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415443072 312139833 /nfs/dbraw/zinc/13/98/33/312139833.db2.gz QNIQPDGMAUMAHL-IUCAKERBSA-N 1 0 346.309 2.815 20 5 EFBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415446452 312140482 /nfs/dbraw/zinc/14/04/82/312140482.db2.gz SZEHCGHZMVZSHV-SECBINFHSA-N 1 0 346.309 2.735 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000415450978 312140971 /nfs/dbraw/zinc/14/09/71/312140971.db2.gz WZRZQZBSQWFPSA-ZDUSSCGKSA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415648742 312162334 /nfs/dbraw/zinc/16/23/34/312162334.db2.gz CINNZIOJBOCMLS-GFCCVEGCSA-N 1 0 336.392 2.505 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415690560 312165227 /nfs/dbraw/zinc/16/52/27/312165227.db2.gz FDDZEGOAPKXLAA-OLZOCXBDSA-N 1 0 346.431 2.966 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415691696 312165562 /nfs/dbraw/zinc/16/55/62/312165562.db2.gz FZUTWTQMAHLHTM-QWHCGFSZSA-N 1 0 346.431 2.966 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417138891 312194843 /nfs/dbraw/zinc/19/48/43/312194843.db2.gz OKVZYSLSQCXFIG-CZUORRHYSA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417304162 312206060 /nfs/dbraw/zinc/20/60/60/312206060.db2.gz BMNSDUYNAWMRLC-WMLDXEAASA-N 1 0 331.416 2.961 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417334652 312210502 /nfs/dbraw/zinc/21/05/02/312210502.db2.gz RKPOFUNBKMNKLB-OAHLLOKOSA-N 1 0 338.429 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCCC2 ZINC000417349019 312212321 /nfs/dbraw/zinc/21/23/21/312212321.db2.gz JZODDHLJLNCFCC-SCTDSRPQSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345390 312212361 /nfs/dbraw/zinc/21/23/61/312212361.db2.gz UHQSDYDLTLYDDQ-GUYCJALGSA-N 1 0 331.416 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(CCCO)C1)CCCC2 ZINC000417349765 312212488 /nfs/dbraw/zinc/21/24/88/312212488.db2.gz MIROQKGFMQRDDH-QFBILLFUSA-N 1 0 347.459 2.799 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417397247 312218464 /nfs/dbraw/zinc/21/84/64/312218464.db2.gz XXJCPNNEKQNSDN-AAEUAGOBSA-N 1 0 343.374 2.984 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718181 312260984 /nfs/dbraw/zinc/26/09/84/312260984.db2.gz NVLRQQVLJCWHIO-WMLDXEAASA-N 1 0 348.447 2.829 20 5 EFBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417724443 312261877 /nfs/dbraw/zinc/26/18/77/312261877.db2.gz YTCVNSGNFIULIV-GDBMZVCRSA-N 1 0 348.447 2.605 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000417848824 312280919 /nfs/dbraw/zinc/28/09/19/312280919.db2.gz KZRPTXNKHUUXIE-HIFRSBDPSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417854854 312282608 /nfs/dbraw/zinc/28/26/08/312282608.db2.gz QIAXRKKOCKXGBW-ZIAGYGMSSA-N 1 0 334.420 2.735 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417854917 312282683 /nfs/dbraw/zinc/28/26/83/312282683.db2.gz QPIYFXLLYKHLIL-MAZHCROVSA-N 1 0 334.420 2.815 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417857201 312283257 /nfs/dbraw/zinc/28/32/57/312283257.db2.gz TZNRAHNYXKPGEL-KCQAQPDRSA-N 1 0 334.420 2.876 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417857156 312283438 /nfs/dbraw/zinc/28/34/38/312283438.db2.gz TXVLECYDMHLLOA-CFVMTHIKSA-N 1 0 334.420 2.781 20 5 EFBDRO CC[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417859391 312283909 /nfs/dbraw/zinc/28/39/09/312283909.db2.gz WDBSTPPVYKSAOB-GOEBONIOSA-N 1 0 334.420 2.877 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860493 312284054 /nfs/dbraw/zinc/28/40/54/312284054.db2.gz YGYDYKAQQLGGCX-WHOFXGATSA-N 1 0 334.420 2.591 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239830 312352285 /nfs/dbraw/zinc/35/22/85/312352285.db2.gz YZKKTQKUQLMPJJ-BPUTZDHNSA-N 1 0 346.431 2.687 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000420586739 312373657 /nfs/dbraw/zinc/37/36/57/312373657.db2.gz PIWMIMMEAXSPBH-UHFFFAOYSA-N 1 0 346.431 2.760 20 5 EFBDRO CC1CC[NH+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420583570 312373831 /nfs/dbraw/zinc/37/38/31/312373831.db2.gz JQUMSVZPGRFESO-UHFFFAOYSA-N 1 0 334.420 2.618 20 5 EFBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCCCCC1 ZINC000420591466 312373988 /nfs/dbraw/zinc/37/39/88/312373988.db2.gz VVQQLALSMNYNPB-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000420606483 312375415 /nfs/dbraw/zinc/37/54/15/312375415.db2.gz YHVDMRKIHAQPPL-UHFFFAOYSA-N 1 0 332.404 2.513 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CCC([NH+](C)C)CC1 ZINC000420634576 312376950 /nfs/dbraw/zinc/37/69/50/312376950.db2.gz ZWSYHILXUGZZBP-UHFFFAOYSA-N 1 0 344.415 2.858 20 5 EFBDRO CCCN1C[C@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000420651012 312379295 /nfs/dbraw/zinc/37/92/95/312379295.db2.gz JAXGOXPTXMBSER-ZDUSSCGKSA-N 1 0 342.399 2.544 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420891800 312402124 /nfs/dbraw/zinc/40/21/24/312402124.db2.gz NJVAXWOQMNGDFX-UHFFFAOYSA-N 1 0 348.447 2.652 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000423489654 312423754 /nfs/dbraw/zinc/42/37/54/312423754.db2.gz WQZRTDQKDDVAOT-CYBMUJFWSA-N 1 0 342.399 2.992 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 ZINC000423502110 312425527 /nfs/dbraw/zinc/42/55/27/312425527.db2.gz JMRWIEZBQLQLGL-SNVBAGLBSA-N 1 0 346.774 2.712 20 5 EFBDRO Cc1c(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cccc1[N+](=O)[O-] ZINC000423806861 312457896 /nfs/dbraw/zinc/45/78/96/312457896.db2.gz IZDGZNRZELDMHY-IHXNAJNRSA-N 1 0 331.416 2.673 20 5 EFBDRO C[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423835791 312466723 /nfs/dbraw/zinc/46/67/23/312466723.db2.gz DUQCZUXDILUOAO-RYUDHWBXSA-N 1 0 339.823 2.890 20 5 EFBDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857537 312472878 /nfs/dbraw/zinc/47/28/78/312472878.db2.gz YOQIYGGDLZSUMK-LLVKDONJSA-N 1 0 325.796 2.644 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423964880 312490699 /nfs/dbraw/zinc/49/06/99/312490699.db2.gz HHCGWNTWMPIVHE-HNNXBMFYSA-N 1 0 342.399 2.603 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000423976643 312493299 /nfs/dbraw/zinc/49/32/99/312493299.db2.gz MWGCICZIMPKUCO-QGZVFWFLSA-N 1 0 327.384 2.516 20 5 EFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1[N+](=O)[O-] ZINC000423979064 312493810 /nfs/dbraw/zinc/49/38/10/312493810.db2.gz OBUBTPOTHASCOW-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO Cc1sc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424044576 312502671 /nfs/dbraw/zinc/50/26/71/312502671.db2.gz RXYKMLCIUMAFFN-CQSZACIVSA-N 1 0 337.445 2.815 20 5 EFBDRO CC1CCN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000424052945 312504124 /nfs/dbraw/zinc/50/41/24/312504124.db2.gz CTKABDZAPPMPSV-UHFFFAOYSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000424053816 312504443 /nfs/dbraw/zinc/50/44/43/312504443.db2.gz ADODEERBQNVQBE-NQBHXWOUSA-N 1 0 331.372 2.786 20 5 EFBDRO CS[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432331677 312556865 /nfs/dbraw/zinc/55/68/65/312556865.db2.gz PIFSQGDPFOFLCF-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1cc(OCC(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000432328719 312556930 /nfs/dbraw/zinc/55/69/30/312556930.db2.gz YGKDQLUYUHQYBF-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000438599628 312621981 /nfs/dbraw/zinc/62/19/81/312621981.db2.gz MIBPQLUGYSXPPR-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447510413 312678273 /nfs/dbraw/zinc/67/82/73/312678273.db2.gz YUDMMSHHXMHZKJ-HUUCEWRRSA-N 1 0 335.452 2.739 20 5 EFBDRO CS[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450409083 312692716 /nfs/dbraw/zinc/69/27/16/312692716.db2.gz XANVNZWDGGKEEO-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000451837810 312830177 /nfs/dbraw/zinc/83/01/77/312830177.db2.gz IAKZMCSLBMIHAS-LBPRGKRZSA-N 1 0 325.384 2.659 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453198722 312878303 /nfs/dbraw/zinc/87/83/03/312878303.db2.gz VUDWIAXKAIEIFL-INIZCTEOSA-N 1 0 349.412 2.504 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000453352627 312891715 /nfs/dbraw/zinc/89/17/15/312891715.db2.gz JYHWDFNRXLWJJH-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453415939 312901111 /nfs/dbraw/zinc/90/11/11/312901111.db2.gz BMTNUZUVTBUOCP-AAEUAGOBSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453426443 312903033 /nfs/dbraw/zinc/90/30/33/312903033.db2.gz HFFGHBUOKICWJF-OCCSQVGLSA-N 1 0 342.399 2.846 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453608742 312917396 /nfs/dbraw/zinc/91/73/96/312917396.db2.gz AZMFUSIDIWMRHA-GDBMZVCRSA-N 1 0 331.416 2.961 20 5 EFBDRO C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000457174849 313039409 /nfs/dbraw/zinc/03/94/09/313039409.db2.gz WXVYKBNULBOEFD-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458163431 313081719 /nfs/dbraw/zinc/08/17/19/313081719.db2.gz JFJXZTOSTRAHLH-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000458196336 313082393 /nfs/dbraw/zinc/08/23/93/313082393.db2.gz DRTIPWVKWKZJLM-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000458228411 313088535 /nfs/dbraw/zinc/08/85/35/313088535.db2.gz UIRFPGFJHQFAHD-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459430040 313105025 /nfs/dbraw/zinc/10/50/25/313105025.db2.gz DIQMLDKNXMSMQX-UHFFFAOYSA-N 1 0 328.372 2.642 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000470147112 313129616 /nfs/dbraw/zinc/12/96/16/313129616.db2.gz NDVMOXCGDAYEJR-CEDDZFRUSA-N 1 0 329.400 2.584 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000470184818 313130345 /nfs/dbraw/zinc/13/03/45/313130345.db2.gz XRBJDRWRDXFOLF-MUMAZLPKSA-N 1 0 345.443 2.652 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479546784 313270803 /nfs/dbraw/zinc/27/08/03/313270803.db2.gz NMHWQFDCPOFLPP-GFCCVEGCSA-N 1 0 344.415 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000484846814 313323910 /nfs/dbraw/zinc/32/39/10/313323910.db2.gz LMPZQDADODTKER-OTWHNJEPSA-N 1 0 347.459 2.664 20 5 EFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485415895 313327485 /nfs/dbraw/zinc/32/74/85/313327485.db2.gz JPBVDLCDNDHCAT-UHFFFAOYSA-N 1 0 332.379 2.970 20 5 EFBDRO C[NH+]1CCC(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000486984484 313355637 /nfs/dbraw/zinc/35/56/37/313355637.db2.gz FXYCOPVETBXWFY-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C[NH+](C)C ZINC000489012377 313535569 /nfs/dbraw/zinc/53/55/69/313535569.db2.gz MTFDWEWWMFDOBP-GFCCVEGCSA-N 1 0 332.379 2.827 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000491320960 313731183 /nfs/dbraw/zinc/73/11/83/313731183.db2.gz OITPTKPJRPUORH-VURMDHGXSA-N 1 0 347.390 2.834 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491872008 313798316 /nfs/dbraw/zinc/79/83/16/313798316.db2.gz QLXHHPRZKRNGSZ-XQRVVYSFSA-N 1 0 349.406 2.937 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491929789 313815415 /nfs/dbraw/zinc/81/54/15/313815415.db2.gz UWCWNRPMXDVKIN-OWNNVSBGSA-N 1 0 349.406 2.937 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000492799583 314129871 /nfs/dbraw/zinc/12/98/71/314129871.db2.gz MUGJVSLOCWYOPV-FJVVXJACSA-N 1 0 343.427 2.941 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000492910619 314173777 /nfs/dbraw/zinc/17/37/77/314173777.db2.gz JLUNXOGSSFDOMX-JXMROGBWSA-N 1 0 343.427 2.942 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000492922480 314178872 /nfs/dbraw/zinc/17/88/72/314178872.db2.gz NFDMGJGQTUAUGL-MAVJXHJTSA-N 1 0 349.818 2.816 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492922709 314178897 /nfs/dbraw/zinc/17/88/97/314178897.db2.gz GRESIPNBNGXRNK-CVYKPKQLSA-N 1 0 347.390 2.832 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492922710 314179041 /nfs/dbraw/zinc/17/90/41/314179041.db2.gz GRESIPNBNGXRNK-MOCUHTECSA-N 1 0 347.390 2.832 20 5 EFBDRO Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927951 314181316 /nfs/dbraw/zinc/18/13/16/314181316.db2.gz SGGXLYNMFMZHDA-WRLNGNIRSA-N 1 0 344.346 2.748 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492933791 314183181 /nfs/dbraw/zinc/18/31/81/314183181.db2.gz UVPZLJMMQJBPKY-MBPXDVQNSA-N 1 0 329.400 2.693 20 5 EFBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000492985833 314201425 /nfs/dbraw/zinc/20/14/25/314201425.db2.gz BLYILSSKHMVTEQ-ZHACJKMWSA-N 1 0 331.416 2.941 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000493046043 314222301 /nfs/dbraw/zinc/22/23/01/314222301.db2.gz DBLVTFSQKHBCFP-BBRMVZONSA-N 1 0 334.420 2.782 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000493173018 314266067 /nfs/dbraw/zinc/26/60/67/314266067.db2.gz SULXIIALQIIQPC-NBUZRDOWSA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000493185840 314269098 /nfs/dbraw/zinc/26/90/98/314269098.db2.gz JNXCDPSSPNQZTM-RQOWECAXSA-N 1 0 347.390 2.739 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000493262671 314296299 /nfs/dbraw/zinc/29/62/99/314296299.db2.gz SZEKMVBEZBZAJP-DAXSKMNVSA-N 1 0 329.400 2.599 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000493487202 314374306 /nfs/dbraw/zinc/37/43/06/314374306.db2.gz MHTFAJDYZSOVMU-IPLHWJFFSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493494811 314377997 /nfs/dbraw/zinc/37/79/97/314377997.db2.gz AMELSZZUVBANTH-SJLPKXTDSA-N 1 0 345.399 2.933 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493560798 314400968 /nfs/dbraw/zinc/40/09/68/314400968.db2.gz SBDCKIHYEXTLTN-IBCRXROYSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000493716131 314454725 /nfs/dbraw/zinc/45/47/25/314454725.db2.gz BURGMZVKSWWQCB-YVMONPNESA-N 1 0 329.400 2.599 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000494459336 314591767 /nfs/dbraw/zinc/59/17/67/314591767.db2.gz XHNRJDPZJYMKRE-WMZOPIPTSA-N 1 0 333.432 2.673 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495544974 314751508 /nfs/dbraw/zinc/75/15/08/314751508.db2.gz WHVAGIJZFOSNJP-UKRRQHHQSA-N 1 0 335.404 2.941 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496440499 315067577 /nfs/dbraw/zinc/06/75/77/315067577.db2.gz SUTQICJPRWBXLS-WQMJKPAKSA-N 1 0 333.388 2.771 20 5 EFBDRO CN(CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000497132200 315321039 /nfs/dbraw/zinc/32/10/39/315321039.db2.gz QODPDSCIXRUYSR-UHFFFAOYSA-N 1 0 327.356 2.690 20 5 EFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498372062 315403208 /nfs/dbraw/zinc/40/32/08/315403208.db2.gz GYPLXJKFWHWRLQ-ZDUSSCGKSA-N 1 0 342.399 2.716 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000500229149 315418347 /nfs/dbraw/zinc/41/83/47/315418347.db2.gz NFEDVRRTHNVOGB-MAVJXHJTSA-N 1 0 330.359 2.940 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231437 315479351 /nfs/dbraw/zinc/47/93/51/315479351.db2.gz MFPFTARJEJWFMU-SMDDNHRTSA-N 1 0 347.337 2.509 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000515166836 315596687 /nfs/dbraw/zinc/59/66/87/315596687.db2.gz KHGYLPRZVIUFLE-IJEWVQPXSA-N 1 0 338.452 2.737 20 5 EFBDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276846 315668973 /nfs/dbraw/zinc/66/89/73/315668973.db2.gz OCUPQCUHTNCSBM-HOTGVXAUSA-N 1 0 340.445 2.783 20 5 EFBDRO CCOC(=O)c1cc(NCC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000518028905 315793350 /nfs/dbraw/zinc/79/33/50/315793350.db2.gz YYFQSTGNIKDSSU-UHFFFAOYSA-N 1 0 335.404 2.915 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000520954636 315989561 /nfs/dbraw/zinc/98/95/61/315989561.db2.gz XSTZVJLANYEBFR-KRWDZBQOSA-N 1 0 348.447 2.633 20 5 EFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000521150524 316001483 /nfs/dbraw/zinc/00/14/83/316001483.db2.gz HETZLPIZHGKOQA-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000522744479 316099562 /nfs/dbraw/zinc/09/95/62/316099562.db2.gz YLXYJQYEADSZAI-LBPRGKRZSA-N 1 0 339.823 2.637 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000525748454 316232737 /nfs/dbraw/zinc/23/27/37/316232737.db2.gz BBHHFRIYTWTHED-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525985670 316269249 /nfs/dbraw/zinc/26/92/49/316269249.db2.gz WMTMBTLHDOXIPZ-XEZPLFJOSA-N 1 0 336.388 2.541 20 5 EFBDRO COc1c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000530370238 317115662 /nfs/dbraw/zinc/11/56/62/317115662.db2.gz XARXGWPACXGETI-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO Cn1cncc1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000530407525 317122433 /nfs/dbraw/zinc/12/24/33/317122433.db2.gz UUCCTRDNIALAAY-YOEHRIQHSA-N 1 0 328.416 2.872 20 5 EFBDRO Cn1cncc1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000530407522 317122620 /nfs/dbraw/zinc/12/26/20/317122620.db2.gz UUCCTRDNIALAAY-PBHICJAKSA-N 1 0 328.416 2.872 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000530624186 317156533 /nfs/dbraw/zinc/15/65/33/317156533.db2.gz ZHEIAXGOSQEFOS-UHFFFAOYSA-N 1 0 336.436 2.853 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000530665634 317162304 /nfs/dbraw/zinc/16/23/04/317162304.db2.gz PYRXRRODZLLJTR-UHFFFAOYSA-N 1 0 344.415 2.842 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530949713 317200474 /nfs/dbraw/zinc/20/04/74/317200474.db2.gz GHCPODAIKYDYMK-DZGCQCFKSA-N 1 0 336.436 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531200682 317234588 /nfs/dbraw/zinc/23/45/88/317234588.db2.gz PCLLKAZTALVOJH-QAPCUYQASA-N 1 0 343.383 2.567 20 5 EFBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000531382213 317258676 /nfs/dbraw/zinc/25/86/76/317258676.db2.gz HHNALPVVCHRCNP-OAHLLOKOSA-N 1 0 330.388 2.507 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000531471809 317271325 /nfs/dbraw/zinc/27/13/25/317271325.db2.gz UUTSGOLKVBMNAA-HUUCEWRRSA-N 1 0 348.447 2.994 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000531471807 317271729 /nfs/dbraw/zinc/27/17/29/317271729.db2.gz UUTSGOLKVBMNAA-CABCVRRESA-N 1 0 348.447 2.994 20 5 EFBDRO COC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000531479616 317273218 /nfs/dbraw/zinc/27/32/18/317273218.db2.gz MSWRPMYDZOZPRR-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000531931490 317334151 /nfs/dbraw/zinc/33/41/51/317334151.db2.gz OMUAXRBRAYHNPC-WBVHZDCISA-N 1 0 335.448 2.911 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000531979456 317338338 /nfs/dbraw/zinc/33/83/38/317338338.db2.gz RXIIVZDAGYGTCH-BYCMXARLSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000532198686 317369050 /nfs/dbraw/zinc/36/90/50/317369050.db2.gz MQKBLYAPAAZHRO-HOCLYGCPSA-N 1 0 330.384 2.994 20 5 EFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532239560 317373243 /nfs/dbraw/zinc/37/32/43/317373243.db2.gz DFFVJADCOXIXEN-HZSPNIEDSA-N 1 0 337.420 2.699 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000535470521 317593835 /nfs/dbraw/zinc/59/38/35/317593835.db2.gz SZNZOPPGHVFGFO-GUYCJALGSA-N 1 0 336.388 2.685 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000537985030 317686883 /nfs/dbraw/zinc/68/68/83/317686883.db2.gz QBERBCNFOFJBGY-KCQAQPDRSA-N 1 0 340.445 2.910 20 5 EFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538408370 317694345 /nfs/dbraw/zinc/69/43/45/317694345.db2.gz YZHRHXVTDRSPIG-CXAGYDPISA-N 1 0 349.431 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000539508445 317722012 /nfs/dbraw/zinc/72/20/12/317722012.db2.gz MRCGFZFNGDALID-GVDBMIGSSA-N 1 0 332.400 2.911 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000542912528 317833767 /nfs/dbraw/zinc/83/37/67/317833767.db2.gz ZVWCQXAKCHBZES-HNNXBMFYSA-N 1 0 338.404 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC([NH+]4CCCCC4)CC3)nc2c1 ZINC000547852968 318048731 /nfs/dbraw/zinc/04/87/31/318048731.db2.gz FSWCGKIWZQPEBE-UHFFFAOYSA-N 1 0 343.431 2.921 20 5 EFBDRO O=C1CCCN1[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623521 318125053 /nfs/dbraw/zinc/12/50/53/318125053.db2.gz IMLLEWXFMKQHGP-GFCCVEGCSA-N 1 0 337.807 2.835 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)nc1 ZINC000548921394 318157257 /nfs/dbraw/zinc/15/72/57/318157257.db2.gz VGMQWZAXZVGVMB-GOEBONIOSA-N 1 0 346.431 2.968 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000549696964 318179991 /nfs/dbraw/zinc/17/99/91/318179991.db2.gz WIBTWCFPRWDFTB-HNNXBMFYSA-N 1 0 336.775 2.778 20 5 EFBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175423 318189443 /nfs/dbraw/zinc/18/94/43/318189443.db2.gz SRCNODSVSCHDIK-SUYBPPKGSA-N 1 0 346.383 2.841 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000550505318 318194261 /nfs/dbraw/zinc/19/42/61/318194261.db2.gz ZFHJSQCVUFFMJT-CQSZACIVSA-N 1 0 331.416 2.569 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000550505317 318194277 /nfs/dbraw/zinc/19/42/77/318194277.db2.gz ZFHJSQCVUFFMJT-AWEZNQCLSA-N 1 0 331.416 2.569 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000550657885 318195714 /nfs/dbraw/zinc/19/57/14/318195714.db2.gz XDAFIHIMEHWWDG-LBPRGKRZSA-N 1 0 345.403 2.732 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+]1CCCC1 ZINC000550737867 318196731 /nfs/dbraw/zinc/19/67/31/318196731.db2.gz RNYNQZROTUDFPD-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000552030988 318238289 /nfs/dbraw/zinc/23/82/89/318238289.db2.gz ZAXAFDJHFNBOJG-QAPCUYQASA-N 1 0 346.358 2.751 20 5 EFBDRO COc1ccccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000557876203 318453307 /nfs/dbraw/zinc/45/33/07/318453307.db2.gz NDGYYCYFMLJCSV-UHFFFAOYSA-N 1 0 343.383 2.764 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])cc1O ZINC000558417939 318466244 /nfs/dbraw/zinc/46/62/44/318466244.db2.gz LSAKVIYXIDCHQB-MORSLUCNSA-N 1 0 326.352 2.737 20 5 EFBDRO CCc1noc(C)c1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000559882161 318520918 /nfs/dbraw/zinc/52/09/18/318520918.db2.gz JNSAAYSHWZMCPP-LLVKDONJSA-N 1 0 346.387 2.961 20 5 EFBDRO CCc1nncn1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000562413089 318645354 /nfs/dbraw/zinc/64/53/54/318645354.db2.gz XGNKNUDOSIMSIA-HNNXBMFYSA-N 1 0 329.404 2.761 20 5 EFBDRO COC(=O)c1coc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562601367 318669544 /nfs/dbraw/zinc/66/95/44/318669544.db2.gz IVNXUMHYEXTCPP-NSHDSACASA-N 1 0 334.328 2.704 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000564494185 318866081 /nfs/dbraw/zinc/86/60/81/318866081.db2.gz FBIPHCTXHYRLAJ-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO Cc1cnccc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000564911429 318910053 /nfs/dbraw/zinc/91/00/53/318910053.db2.gz LKQHHNIZIBWESN-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217519 318948022 /nfs/dbraw/zinc/94/80/22/318948022.db2.gz LZWOEVSQWVCESN-SUMWQHHRSA-N 1 0 339.395 2.877 20 5 EFBDRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565434292 318970790 /nfs/dbraw/zinc/97/07/90/318970790.db2.gz SJESMOUOOMFLRS-QOZQQMKHSA-N 1 0 338.429 2.528 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CC[NH2+]C2 ZINC000565828328 319006530 /nfs/dbraw/zinc/00/65/30/319006530.db2.gz XZLWQGMROQQVKC-UHFFFAOYSA-N 1 0 325.368 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)CCC2 ZINC000565885650 319011495 /nfs/dbraw/zinc/01/14/95/319011495.db2.gz IYDLVNRWOYDAHQ-INIZCTEOSA-N 1 0 327.388 2.731 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000565949394 319017724 /nfs/dbraw/zinc/01/77/24/319017724.db2.gz QZQNYYKXGACAGI-HNNXBMFYSA-N 1 0 340.383 2.808 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC000566120704 319035822 /nfs/dbraw/zinc/03/58/22/319035822.db2.gz OVRPFMNIQIQMID-KYJSFNMBSA-N 1 0 334.416 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000566476044 319082070 /nfs/dbraw/zinc/08/20/70/319082070.db2.gz SGIZUQFWXPONFO-CXAGYDPISA-N 1 0 346.358 2.751 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000566500788 319084670 /nfs/dbraw/zinc/08/46/70/319084670.db2.gz QWCRABQRBIYVRR-CVEARBPZSA-N 1 0 331.416 2.926 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000566668368 319100232 /nfs/dbraw/zinc/10/02/32/319100232.db2.gz KPVVMSQOQKITHK-INIZCTEOSA-N 1 0 346.431 2.570 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(c2ccccc2)CC1 ZINC000566996295 319129199 /nfs/dbraw/zinc/12/91/99/319129199.db2.gz VBYXIQUIMFASDC-INIZCTEOSA-N 1 0 342.395 2.656 20 5 EFBDRO CN(C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000567251122 319154382 /nfs/dbraw/zinc/15/43/82/319154382.db2.gz BAVAVBJBVWUODJ-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000567586131 319185634 /nfs/dbraw/zinc/18/56/34/319185634.db2.gz IEEVFHUDMAVYKM-CYBMUJFWSA-N 1 0 342.399 2.922 20 5 EFBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567679446 319195761 /nfs/dbraw/zinc/19/57/61/319195761.db2.gz XNDCIEHYCQFRAM-WMZOPIPTSA-N 1 0 344.411 2.945 20 5 EFBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000567680998 319196238 /nfs/dbraw/zinc/19/62/38/319196238.db2.gz KBGVFHHUHNLFQJ-YOEHRIQHSA-N 1 0 344.415 2.555 20 5 EFBDRO Cc1noc(C)c1[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567689215 319197792 /nfs/dbraw/zinc/19/77/92/319197792.db2.gz FPRBYVKBJQQALW-LLVKDONJSA-N 1 0 346.387 2.922 20 5 EFBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567710595 319201638 /nfs/dbraw/zinc/20/16/38/319201638.db2.gz NOVQZUGVAAYVFF-QWRGUYRKSA-N 1 0 336.310 2.655 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000568462481 319284744 /nfs/dbraw/zinc/28/47/44/319284744.db2.gz AJVGBVROAIWTHX-LESCRADOSA-N 1 0 333.432 2.889 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568567268 319295279 /nfs/dbraw/zinc/29/52/79/319295279.db2.gz TXCYFVZXEGFWHK-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000568589261 319297104 /nfs/dbraw/zinc/29/71/04/319297104.db2.gz CLCNOMZDWUXESN-HUUCEWRRSA-N 1 0 344.419 2.526 20 5 EFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000568970282 319335268 /nfs/dbraw/zinc/33/52/68/319335268.db2.gz FFARLEAIINEQOD-CYBMUJFWSA-N 1 0 343.383 2.917 20 5 EFBDRO CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000568989902 319338017 /nfs/dbraw/zinc/33/80/17/319338017.db2.gz XXOBAFONXYYHAK-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000569072523 319344527 /nfs/dbraw/zinc/34/45/27/319344527.db2.gz BERNVZLFRLCVIW-BZUAXINKSA-N 1 0 335.452 2.739 20 5 EFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH3+])cc1SC ZINC000570201354 319453790 /nfs/dbraw/zinc/45/37/90/319453790.db2.gz IHOOCJGYVGKISD-UHFFFAOYSA-N 1 0 341.433 2.573 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1ccccc1F ZINC000570509545 319483743 /nfs/dbraw/zinc/48/37/43/319483743.db2.gz DBACUCJQZDHYOS-OAHLLOKOSA-N 1 0 348.374 2.696 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000570826313 319516970 /nfs/dbraw/zinc/51/69/70/319516970.db2.gz ABRJXPOPBIVTRW-OWQGQXMQSA-N 1 0 346.427 2.739 20 5 EFBDRO C[C@](O)(C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000573795901 319799184 /nfs/dbraw/zinc/79/91/84/319799184.db2.gz SWCUPUDCCHWTKD-NSHDSACASA-N 1 0 326.702 2.694 20 5 EFBDRO CC(C)(NC(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000574037971 319823739 /nfs/dbraw/zinc/82/37/39/319823739.db2.gz PHSNLAVQJXGVKL-UHFFFAOYSA-N 1 0 342.399 2.788 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000574982262 319913745 /nfs/dbraw/zinc/91/37/45/319913745.db2.gz UOJPPVMEMPXYCH-NSHDSACASA-N 1 0 325.434 2.810 20 5 EFBDRO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000575867016 319960943 /nfs/dbraw/zinc/96/09/43/319960943.db2.gz CTEXLZVQNXJFLP-QGZVFWFLSA-N 1 0 338.404 2.667 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000576524428 320023954 /nfs/dbraw/zinc/02/39/54/320023954.db2.gz OZNFQIOCNNIQPJ-HOCLYGCPSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000576577119 320028839 /nfs/dbraw/zinc/02/88/39/320028839.db2.gz QMFZMFGSPKLMPV-UHFFFAOYSA-N 1 0 348.428 2.829 20 5 EFBDRO CCOC1CC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000576937209 320062089 /nfs/dbraw/zinc/06/20/89/320062089.db2.gz YMAUKCMGIVOAFN-UHFFFAOYSA-N 1 0 335.404 2.718 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576937047 320062217 /nfs/dbraw/zinc/06/22/17/320062217.db2.gz USTLIUNLVVIDTL-JTQLQIEISA-N 1 0 331.294 2.567 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)n[nH]1 ZINC000576956420 320064801 /nfs/dbraw/zinc/06/48/01/320064801.db2.gz CUEJCQULDVMAFE-MRXNPFEDSA-N 1 0 341.415 2.872 20 5 EFBDRO CN1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000577188276 320086478 /nfs/dbraw/zinc/08/64/78/320086478.db2.gz BYPVRALGPAAKFC-GFCCVEGCSA-N 1 0 345.321 2.666 20 5 EFBDRO CC[NH2+]Cc1cccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000577198142 320087636 /nfs/dbraw/zinc/08/76/36/320087636.db2.gz KPFAWKNMGGHVBY-UHFFFAOYSA-N 1 0 343.383 2.894 20 5 EFBDRO CCc1nn(C)c(N2CCC(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000577848667 320150342 /nfs/dbraw/zinc/15/03/42/320150342.db2.gz XYAAGJXCMUMUFP-UHFFFAOYSA-N 1 0 335.452 2.593 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000577862121 320152578 /nfs/dbraw/zinc/15/25/78/320152578.db2.gz XFICLAORWMMPGT-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244935 320188519 /nfs/dbraw/zinc/18/85/19/320188519.db2.gz VIBWQTCXDLIHIC-MWLCHTKSSA-N 1 0 345.346 2.516 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1CCCCN1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436154 320206026 /nfs/dbraw/zinc/20/60/26/320206026.db2.gz CMNGGDDODBKRCN-HNNXBMFYSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(NCCC[NH2+]C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578509178 320212697 /nfs/dbraw/zinc/21/26/97/320212697.db2.gz UXRAZQDNYHJFPU-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000578549688 320216876 /nfs/dbraw/zinc/21/68/76/320216876.db2.gz WXPNDWWCQIEYQI-CQSZACIVSA-N 1 0 334.420 2.842 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578725745 320232783 /nfs/dbraw/zinc/23/27/83/320232783.db2.gz VWOLWCVFKMEGQE-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578731535 320233292 /nfs/dbraw/zinc/23/32/92/320233292.db2.gz FCLXOLJLASLHQE-CZUORRHYSA-N 1 0 339.823 2.971 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](O)C(F)(F)F ZINC000181282121 323231724 /nfs/dbraw/zinc/23/17/24/323231724.db2.gz FWRADSUPYNJJIP-CYBMUJFWSA-N 1 0 336.310 2.737 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181728439 323247059 /nfs/dbraw/zinc/24/70/59/323247059.db2.gz BUJWSPLAJPDNBX-ZDUSSCGKSA-N 1 0 336.413 2.836 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181728458 323247134 /nfs/dbraw/zinc/24/71/34/323247134.db2.gz BUJWSPLAJPDNBX-CYBMUJFWSA-N 1 0 336.413 2.836 20 5 EFBDRO C[N@H+](CCc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181925338 323255534 /nfs/dbraw/zinc/25/55/34/323255534.db2.gz FXGANUNYNHSZGK-CYBMUJFWSA-N 1 0 336.413 2.571 20 5 EFBDRO CCC[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181997862 323258746 /nfs/dbraw/zinc/25/87/46/323258746.db2.gz RFKBWZVMIXYQQB-CQSZACIVSA-N 1 0 340.445 2.881 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000182331219 323277399 /nfs/dbraw/zinc/27/73/99/323277399.db2.gz IGVUYDVNNPOHMI-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1 ZINC000182370130 323279674 /nfs/dbraw/zinc/27/96/74/323279674.db2.gz XJSDYTTYJANNSN-KGLIPLIRSA-N 1 0 332.360 2.692 20 5 EFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184683481 323371243 /nfs/dbraw/zinc/37/12/43/323371243.db2.gz KSINBIZGHSWPEE-OAHLLOKOSA-N 1 0 347.371 2.802 20 5 EFBDRO C[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185003609 323379814 /nfs/dbraw/zinc/37/98/14/323379814.db2.gz YVIIXTMWADLRPL-STQMWFEESA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185108490 323382873 /nfs/dbraw/zinc/38/28/73/323382873.db2.gz VAKKWUXWLWZRMV-GFCCVEGCSA-N 1 0 325.384 2.636 20 5 EFBDRO C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185129960 323384612 /nfs/dbraw/zinc/38/46/12/323384612.db2.gz PHHUUSLIGQEOJX-JSGCOSHPSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185170092 323385558 /nfs/dbraw/zinc/38/55/58/323385558.db2.gz IXIKCZNFXUWHKW-NEPJUHHUSA-N 1 0 325.384 2.684 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000194035539 323498746 /nfs/dbraw/zinc/49/87/46/323498746.db2.gz VBRNYCJDXQTIHH-OUCADQQQSA-N 1 0 335.404 2.956 20 5 EFBDRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296846525 323648282 /nfs/dbraw/zinc/64/82/82/323648282.db2.gz XRKWUHYMMMWCHV-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)nc2c1 ZINC000579709442 324017237 /nfs/dbraw/zinc/01/72/37/324017237.db2.gz SYSKBQYSANWEBD-BLLLJJGKSA-N 1 0 330.388 2.862 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579922061 324056260 /nfs/dbraw/zinc/05/62/60/324056260.db2.gz HEORUFQJKREUCF-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000580193534 324118280 /nfs/dbraw/zinc/11/82/80/324118280.db2.gz HHVPVAFVTNKEMX-CHWSQXEVSA-N 1 0 340.351 2.517 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000580285437 324132435 /nfs/dbraw/zinc/13/24/35/324132435.db2.gz QERUUMVNBWECPD-ZDUSSCGKSA-N 1 0 332.429 2.805 20 5 EFBDRO CN(C)C(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000580328298 324143387 /nfs/dbraw/zinc/14/33/87/324143387.db2.gz QUDUBVXKADZNMJ-HNNXBMFYSA-N 1 0 331.416 2.820 20 5 EFBDRO C[C@@H]1CN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580390671 324151575 /nfs/dbraw/zinc/15/15/75/324151575.db2.gz WCDMHQCNQSKTAP-CXAGYDPISA-N 1 0 333.432 2.628 20 5 EFBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000580435073 324163305 /nfs/dbraw/zinc/16/33/05/324163305.db2.gz MMQUDSAAUKZOIS-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000580511546 324174742 /nfs/dbraw/zinc/17/47/42/324174742.db2.gz GJAAKTLOTCIQDX-HNNXBMFYSA-N 1 0 340.383 2.808 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000580665746 324209688 /nfs/dbraw/zinc/20/96/88/324209688.db2.gz JNXKTZBFQFQOOZ-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000580737432 324224132 /nfs/dbraw/zinc/22/41/32/324224132.db2.gz UCLZAHINEMEBDG-GOEBONIOSA-N 1 0 346.358 2.751 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2occc21 ZINC000580947294 324272889 /nfs/dbraw/zinc/27/28/89/324272889.db2.gz OVLSDNWITXTHFX-OCCSQVGLSA-N 1 0 332.356 2.595 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2occc21 ZINC000580947295 324272960 /nfs/dbraw/zinc/27/29/60/324272960.db2.gz OVLSDNWITXTHFX-TZMCWYRMSA-N 1 0 332.356 2.595 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2occc21 ZINC000580947292 324272975 /nfs/dbraw/zinc/27/29/75/324272975.db2.gz OVLSDNWITXTHFX-GXTWGEPZSA-N 1 0 332.356 2.595 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000581152982 324315606 /nfs/dbraw/zinc/31/56/06/324315606.db2.gz BJYCWCCALGMEPK-NSHDSACASA-N 1 0 333.392 2.776 20 5 EFBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000581380049 324365725 /nfs/dbraw/zinc/36/57/25/324365725.db2.gz GFPHXMZCRBCZKE-XTKXOIQPSA-N 1 0 343.427 2.845 20 5 EFBDRO Cc1ncsc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581424989 324374473 /nfs/dbraw/zinc/37/44/73/324374473.db2.gz QUIHNMJCYAYAMI-UHFFFAOYSA-N 1 0 334.401 2.521 20 5 EFBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000581463128 324382041 /nfs/dbraw/zinc/38/20/41/324382041.db2.gz SGKGJMHKPKFQPV-AWEZNQCLSA-N 1 0 345.399 2.882 20 5 EFBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000581484285 324388960 /nfs/dbraw/zinc/38/89/60/324388960.db2.gz BJTFDGQTUJKWCQ-IJEWVQPXSA-N 1 0 338.452 2.594 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582370433 324580752 /nfs/dbraw/zinc/58/07/52/324580752.db2.gz PTICUFBMMRJHMA-KBXCAEBGSA-N 1 0 342.395 2.956 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000582951370 324705736 /nfs/dbraw/zinc/70/57/36/324705736.db2.gz XVYAEOZEYZASAB-SNVBAGLBSA-N 1 0 330.310 2.683 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000582951369 324705997 /nfs/dbraw/zinc/70/59/97/324705997.db2.gz XVYAEOZEYZASAB-JTQLQIEISA-N 1 0 330.310 2.683 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000583787023 324869913 /nfs/dbraw/zinc/86/99/13/324869913.db2.gz SVKOSNPRKZCXBE-PBHICJAKSA-N 1 0 331.416 2.785 20 5 EFBDRO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000583792775 324871196 /nfs/dbraw/zinc/87/11/96/324871196.db2.gz QORAMEDAYYYZNE-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000128903099 472509199 /nfs/dbraw/zinc/50/91/99/472509199.db2.gz ULHQPZJGZCFMRN-KRWDZBQOSA-N 1 0 343.383 2.700 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000095462553 473209242 /nfs/dbraw/zinc/20/92/42/473209242.db2.gz UXIVTAKOPLWSLD-MRXNPFEDSA-N 1 0 343.383 2.555 20 5 EFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161128500 473210367 /nfs/dbraw/zinc/21/03/67/473210367.db2.gz AZENSOMQCIWZKO-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081521158 473214024 /nfs/dbraw/zinc/21/40/24/473214024.db2.gz TYCMTABCWFASLL-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000161168191 473214190 /nfs/dbraw/zinc/21/41/90/473214190.db2.gz KEDGLOHOIOCQGT-UHFFFAOYSA-N 1 0 328.372 2.841 20 5 EFBDRO COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nccn1C ZINC000138465488 473219379 /nfs/dbraw/zinc/21/93/79/473219379.db2.gz FXWRVJFYBHQDDC-MRXNPFEDSA-N 1 0 339.355 2.933 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000139074571 473226463 /nfs/dbraw/zinc/22/64/63/473226463.db2.gz FJUMTTWTHWXPTR-UXLLHSPISA-N 1 0 333.432 2.668 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000161340129 473227757 /nfs/dbraw/zinc/22/77/57/473227757.db2.gz IFKMYKGPTYZWPJ-NXEZZACHSA-N 1 0 331.294 2.613 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000140119271 473242140 /nfs/dbraw/zinc/24/21/40/473242140.db2.gz QMGRBGHGLKBEIQ-GFCCVEGCSA-N 1 0 348.428 2.626 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000141129384 473251847 /nfs/dbraw/zinc/25/18/47/473251847.db2.gz VNOYFKKFDFJKPC-UHFFFAOYSA-N 1 0 335.433 2.714 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161682100 473252583 /nfs/dbraw/zinc/25/25/83/473252583.db2.gz WGNGESZVXYDEAA-UONOGXRCSA-N 1 0 333.432 2.682 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081787532 473252951 /nfs/dbraw/zinc/25/29/51/473252951.db2.gz RMGMQBXIALSBKT-UHFFFAOYSA-N 1 0 327.812 2.591 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161696175 473253200 /nfs/dbraw/zinc/25/32/00/473253200.db2.gz PORKWVQUYKXURI-MRXNPFEDSA-N 1 0 333.432 2.622 20 5 EFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000190428047 473270106 /nfs/dbraw/zinc/27/01/06/473270106.db2.gz MILAJVHBEWJFRT-JSGCOSHPSA-N 1 0 336.417 2.883 20 5 EFBDRO CC1CC[NH+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486935502 468013550 /nfs/dbraw/zinc/01/35/50/468013550.db2.gz JIEOJNLDZBLQGQ-UHFFFAOYSA-N 1 0 331.376 2.789 20 5 EFBDRO COc1cc(CN(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000143776235 473279385 /nfs/dbraw/zinc/27/93/85/473279385.db2.gz ADTUXTJNQNBVMJ-UHFFFAOYSA-N 1 0 345.399 2.573 20 5 EFBDRO C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184942928 473280319 /nfs/dbraw/zinc/28/03/19/473280319.db2.gz BDWPQSPECKPQDU-NSHDSACASA-N 1 0 335.379 2.580 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000124672889 473284312 /nfs/dbraw/zinc/28/43/12/473284312.db2.gz VLHMVRMRSWAQNW-QGZVFWFLSA-N 1 0 345.443 2.923 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000489996307 468184543 /nfs/dbraw/zinc/18/45/43/468184543.db2.gz VPXVSGRKJLCOTC-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177037372 473289857 /nfs/dbraw/zinc/28/98/57/473289857.db2.gz MCJKMICNWILQTE-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO [NH3+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000161977675 473289474 /nfs/dbraw/zinc/28/94/74/473289474.db2.gz KHYOKAFYUMYYQJ-UHFFFAOYSA-N 1 0 347.415 2.626 20 5 EFBDRO COc1ccc(C[N@H+](CCO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000112698761 473296744 /nfs/dbraw/zinc/29/67/44/473296744.db2.gz VYJTTYYHJSDLKC-UHFFFAOYSA-N 1 0 330.384 2.640 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177100522 473306282 /nfs/dbraw/zinc/30/62/82/473306282.db2.gz GFPGHHXJIFDSQC-CMPLNLGQSA-N 1 0 337.807 2.532 20 5 EFBDRO CC1(C)C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000190539574 473311267 /nfs/dbraw/zinc/31/12/67/473311267.db2.gz NLNCPWPMSNNDDW-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185053763 473314072 /nfs/dbraw/zinc/31/40/72/473314072.db2.gz UZISQNDBTTVGGQ-GZBFAFLISA-N 1 0 331.416 2.702 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000083092862 473320786 /nfs/dbraw/zinc/32/07/86/473320786.db2.gz VWOUBCVCEOLGJF-UHFFFAOYSA-N 1 0 325.434 2.633 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177186448 473326672 /nfs/dbraw/zinc/32/66/72/473326672.db2.gz LXQZNFCZYIJVNF-FZMZJTMJSA-N 1 0 344.415 2.524 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3C[NH+]3CCCC3)nc2c1 ZINC000083170844 473326814 /nfs/dbraw/zinc/32/68/14/473326814.db2.gz STRJWIGPQALITF-CQSZACIVSA-N 1 0 330.388 2.796 20 5 EFBDRO C[NH+](C)CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000112915828 473330163 /nfs/dbraw/zinc/33/01/63/473330163.db2.gz XIPHMQBNFDXVLV-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000149614212 473330235 /nfs/dbraw/zinc/33/02/35/473330235.db2.gz JSMXMENRFYUYQW-OKILXGFUSA-N 1 0 348.447 2.665 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177206246 473331349 /nfs/dbraw/zinc/33/13/49/473331349.db2.gz QQBPUMHFFXVEBA-UKRRQHHQSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H](O)[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162457476 473340994 /nfs/dbraw/zinc/34/09/94/473340994.db2.gz NTBATFMGYDKNMV-UWVGGRQHSA-N 1 0 329.194 2.560 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616059400 469360360 /nfs/dbraw/zinc/36/03/60/469360360.db2.gz QGIIMFXATOMIGV-CQSZACIVSA-N 1 0 330.388 2.666 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185170838 473351391 /nfs/dbraw/zinc/35/13/91/473351391.db2.gz FEWKSDJUTQJXHE-TZMCWYRMSA-N 1 0 335.379 2.534 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150817501 473359986 /nfs/dbraw/zinc/35/99/86/473359986.db2.gz GINYQJGRBLURJR-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000113196212 473365096 /nfs/dbraw/zinc/36/50/96/473365096.db2.gz FVXAKUSMLUIFPO-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000619723171 479866426 /nfs/dbraw/zinc/86/64/26/479866426.db2.gz TVRBKSOGKYBSCU-OAHLLOKOSA-N 1 0 347.415 2.781 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000162778560 473382441 /nfs/dbraw/zinc/38/24/41/473382441.db2.gz LAHRIRMRLMVGQM-VHSXEESVSA-N 1 0 346.330 2.719 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000162754493 473379164 /nfs/dbraw/zinc/37/91/64/473379164.db2.gz UYHWTBQCLMDLAC-TZMCWYRMSA-N 1 0 331.372 2.807 20 5 EFBDRO Cn1c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc2c1cccc2F ZINC000113358744 473387776 /nfs/dbraw/zinc/38/77/76/473387776.db2.gz UUXRYZGKBVOHDK-UHFFFAOYSA-N 1 0 328.347 2.953 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000125304993 473391105 /nfs/dbraw/zinc/39/11/05/473391105.db2.gz NVFFJICULGKUOK-QAPCUYQASA-N 1 0 343.427 2.879 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000125312825 473391878 /nfs/dbraw/zinc/39/18/78/473391878.db2.gz BZJCVTQMXRMNPG-CHWSQXEVSA-N 1 0 335.404 2.635 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783603 479883550 /nfs/dbraw/zinc/88/35/50/479883550.db2.gz UOYYRNTVJVPGDO-JTQLQIEISA-N 1 0 335.385 2.954 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000619785556 479885505 /nfs/dbraw/zinc/88/55/05/479885505.db2.gz LCVCTXASANOZFH-INIZCTEOSA-N 1 0 328.368 2.909 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000616347365 479886059 /nfs/dbraw/zinc/88/60/59/479886059.db2.gz FFZMQBFNCRRPME-CQSZACIVSA-N 1 0 335.404 2.516 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362083529 475985701 /nfs/dbraw/zinc/98/57/01/475985701.db2.gz PKYIHAFPKNJLAC-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000346954015 475986770 /nfs/dbraw/zinc/98/67/70/475986770.db2.gz MZERYEFBMOZZKK-VNHYZAJKSA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000452115008 476835324 /nfs/dbraw/zinc/83/53/24/476835324.db2.gz KCUXSQGKXZLBBU-CJNGLKHVSA-N 1 0 347.415 2.589 20 5 EFBDRO COc1cc(CN[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000424337348 477374541 /nfs/dbraw/zinc/37/45/41/477374541.db2.gz RLKXCTVJFDWQRI-GHMZBOCLSA-N 1 0 345.346 2.564 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCC2(O)CCC2)c1 ZINC000421383567 478065845 /nfs/dbraw/zinc/06/58/45/478065845.db2.gz ZHXNIZOGJNHKIG-UHFFFAOYSA-N 1 0 330.331 2.981 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000451589714 478111132 /nfs/dbraw/zinc/11/11/32/478111132.db2.gz JKUIQIATOKGOHM-CABCVRRESA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4ccccc4n3)CC2)n1 ZINC000595481009 478810880 /nfs/dbraw/zinc/81/08/80/478810880.db2.gz MUOJFJCZNBTWJF-UHFFFAOYSA-N 1 0 338.371 2.572 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480075 478811408 /nfs/dbraw/zinc/81/14/08/478811408.db2.gz IEDLDUDTQDKNTR-TZMCWYRMSA-N 1 0 334.420 2.828 20 5 EFBDRO COc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000619868443 479897940 /nfs/dbraw/zinc/89/79/40/479897940.db2.gz XRFUJQKOAWVXOL-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000616394513 479898064 /nfs/dbraw/zinc/89/80/64/479898064.db2.gz AADZKPSGDCIGJB-DZTUZMMOSA-N 1 0 333.413 2.797 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000613235599 479931728 /nfs/dbraw/zinc/93/17/28/479931728.db2.gz FTKKMDXPPXPAPN-GOEBONIOSA-N 1 0 333.432 2.716 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008146548 471666767 /nfs/dbraw/zinc/66/67/67/471666767.db2.gz BWAMPMAVDCOODT-UHFFFAOYSA-N 1 0 346.431 2.775 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000008307239 471679303 /nfs/dbraw/zinc/67/93/03/471679303.db2.gz IWZHPWODDGRRFR-UPJWGTAASA-N 1 0 335.404 2.908 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010018645 471726505 /nfs/dbraw/zinc/72/65/05/471726505.db2.gz GZTJQFIQRJJVPH-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000013141607 471817510 /nfs/dbraw/zinc/81/75/10/471817510.db2.gz AMTKGQGLEKIONQ-UHFFFAOYSA-N 1 0 327.384 2.796 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000015539893 471908448 /nfs/dbraw/zinc/90/84/48/471908448.db2.gz NWJXKMZTFZJNJW-QGZVFWFLSA-N 1 0 339.395 2.908 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000017794479 471964744 /nfs/dbraw/zinc/96/47/44/471964744.db2.gz OJKCCCNCHSPPKM-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000067004262 471981065 /nfs/dbraw/zinc/98/10/65/471981065.db2.gz DLFWTWCOCZPXFJ-CQSZACIVSA-N 1 0 348.428 2.758 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000067129540 471995700 /nfs/dbraw/zinc/99/57/00/471995700.db2.gz BJMXFVXWCXDQBJ-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036686441 472003719 /nfs/dbraw/zinc/00/37/19/472003719.db2.gz SMJKGGGRZNHJAC-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067233553 472009634 /nfs/dbraw/zinc/00/96/34/472009634.db2.gz VOYTZXSNZFKIHK-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276604 472013873 /nfs/dbraw/zinc/01/38/73/472013873.db2.gz GURBHMPYNTXUFX-INIZCTEOSA-N 1 0 345.399 2.930 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067276701 472013944 /nfs/dbraw/zinc/01/39/44/472013944.db2.gz NLQXICQJIDBLCJ-INIZCTEOSA-N 1 0 345.399 2.930 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000067299009 472017849 /nfs/dbraw/zinc/01/78/49/472017849.db2.gz OMJLKDORLGNPJM-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053558067 472019289 /nfs/dbraw/zinc/01/92/89/472019289.db2.gz OTKBQBIWAQMHJD-HNNXBMFYSA-N 1 0 348.428 2.731 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000067545086 472047592 /nfs/dbraw/zinc/04/75/92/472047592.db2.gz WYRIAHVTTMZKPO-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000054041997 472052130 /nfs/dbraw/zinc/05/21/30/472052130.db2.gz UIWSTJWILPNWKN-AWEZNQCLSA-N 1 0 343.358 2.738 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041318885 472055209 /nfs/dbraw/zinc/05/52/09/472055209.db2.gz YJQPUEUWEHFPNN-ZDUSSCGKSA-N 1 0 339.461 2.922 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000067683124 472070961 /nfs/dbraw/zinc/07/09/61/472070961.db2.gz ZVXUZSDVRGWHKX-UONOGXRCSA-N 1 0 334.420 2.685 20 5 EFBDRO COc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000054286922 472072884 /nfs/dbraw/zinc/07/28/84/472072884.db2.gz BFSGMJBTTIOTDF-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054286708 472072965 /nfs/dbraw/zinc/07/29/65/472072965.db2.gz XGFLFTIOVWLDOB-GFCCVEGCSA-N 1 0 334.420 2.539 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000067715156 472078036 /nfs/dbraw/zinc/07/80/36/472078036.db2.gz RCLKTGBCMQWZHI-RKVPGOIHSA-N 1 0 333.432 2.668 20 5 EFBDRO CC[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000054389399 472083804 /nfs/dbraw/zinc/08/38/04/472083804.db2.gz VJLNQOIFQMQEQH-UHFFFAOYSA-N 1 0 327.388 2.502 20 5 EFBDRO COc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000067813580 472092627 /nfs/dbraw/zinc/09/26/27/472092627.db2.gz MNFTWVLAPPHGFX-KBPBESRZSA-N 1 0 349.431 2.525 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000026161337 472126068 /nfs/dbraw/zinc/12/60/68/472126068.db2.gz ADEFJELCWMAATP-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000026480161 472138338 /nfs/dbraw/zinc/13/83/38/472138338.db2.gz ADRGGEAYAOFZLO-DZGCQCFKSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000026473491 472139265 /nfs/dbraw/zinc/13/92/65/472139265.db2.gz HGAOXZYRGDGITK-RYUDHWBXSA-N 1 0 349.387 2.773 20 5 EFBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000026480168 472139310 /nfs/dbraw/zinc/13/93/10/472139310.db2.gz ADRGGEAYAOFZLO-HIFRSBDPSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712823 472145816 /nfs/dbraw/zinc/14/58/16/472145816.db2.gz LEOOWEJTNCJAMF-INIZCTEOSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075502516 472146992 /nfs/dbraw/zinc/14/69/92/472146992.db2.gz DCPYOEGBYOLZRH-AWEZNQCLSA-N 1 0 332.404 2.935 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000084251489 472160659 /nfs/dbraw/zinc/16/06/59/472160659.db2.gz SZYQGSLNKBPRKE-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO CC(C)[NH+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000027145045 472164265 /nfs/dbraw/zinc/16/42/65/472164265.db2.gz ZPMPMNVRDMVIFX-UHFFFAOYSA-N 1 0 339.461 2.922 20 5 EFBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000055362649 472173257 /nfs/dbraw/zinc/17/32/57/472173257.db2.gz FEJSPPHWCZIMLV-GJZGRUSLSA-N 1 0 349.431 2.743 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC000075675730 472179126 /nfs/dbraw/zinc/17/91/26/472179126.db2.gz CFRAKUIMXBYDOV-WBVHZDCISA-N 1 0 336.436 2.587 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000075676818 472181243 /nfs/dbraw/zinc/18/12/43/472181243.db2.gz PALYEGKZPQNEKC-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000068442089 472191882 /nfs/dbraw/zinc/19/18/82/472191882.db2.gz XBUINQRBSFYLKZ-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027771862 472195747 /nfs/dbraw/zinc/19/57/47/472195747.db2.gz WTINYHRVYBSVFP-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027771856 472195816 /nfs/dbraw/zinc/19/58/16/472195816.db2.gz WTINYHRVYBSVFP-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000055749167 472233134 /nfs/dbraw/zinc/23/31/34/472233134.db2.gz PICYEPLVUWKUCX-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000029368529 472270733 /nfs/dbraw/zinc/27/07/33/472270733.db2.gz KYXUIXMDAVQWLU-UHFFFAOYSA-N 1 0 349.456 2.686 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043977655 472277450 /nfs/dbraw/zinc/27/74/50/472277450.db2.gz CFUUITPOGVMFKP-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000056240551 472297086 /nfs/dbraw/zinc/29/70/86/472297086.db2.gz FEOFPUIWRHJYDZ-UONOGXRCSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029836629 472299649 /nfs/dbraw/zinc/29/96/49/472299649.db2.gz OPQOBUKOJDVFEM-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000029952858 472307192 /nfs/dbraw/zinc/30/71/92/472307192.db2.gz OEORROKXWXEIKR-UHFFFAOYSA-N 1 0 328.372 2.950 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000087133552 472308496 /nfs/dbraw/zinc/30/84/96/472308496.db2.gz BPWFRENUPXXKSG-UHFFFAOYSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087133892 472309278 /nfs/dbraw/zinc/30/92/78/472309278.db2.gz VQTAKAPQCUYNEB-CQSZACIVSA-N 1 0 346.431 2.537 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000044487045 472310435 /nfs/dbraw/zinc/31/04/35/472310435.db2.gz CDQHITWLXKPTEN-LLVKDONJSA-N 1 0 325.415 2.751 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044515602 472313401 /nfs/dbraw/zinc/31/34/01/472313401.db2.gz QQYKDEFJPVWSQT-GFCCVEGCSA-N 1 0 339.461 2.779 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000044583106 472320595 /nfs/dbraw/zinc/32/05/95/472320595.db2.gz JNESXXTXSGILDB-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1ccc(CC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000069365553 472330715 /nfs/dbraw/zinc/33/07/15/472330715.db2.gz ARDDVEBDMVBXRZ-UHFFFAOYSA-N 1 0 349.431 2.527 20 5 EFBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCCCC1 ZINC000044715044 472334059 /nfs/dbraw/zinc/33/40/59/472334059.db2.gz BUNHXUXNWOCZOX-UHFFFAOYSA-N 1 0 349.387 2.774 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000044716927 472334599 /nfs/dbraw/zinc/33/45/99/472334599.db2.gz XEWMBFHMSCKVDK-LLVKDONJSA-N 1 0 325.434 2.532 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000056691666 472345043 /nfs/dbraw/zinc/34/50/43/472345043.db2.gz HJDJXEJCCWOIKH-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000056787828 472351950 /nfs/dbraw/zinc/35/19/50/472351950.db2.gz DOGNFRHJNUSRNZ-HUUCEWRRSA-N 1 0 348.447 2.857 20 5 EFBDRO O=[N+]([O-])c1c(NCC[N@@H+]2CCc3ccccc3C2)nc2sccn21 ZINC000045026611 472365630 /nfs/dbraw/zinc/36/56/30/472365630.db2.gz WXRQYVWVWPHYBZ-UHFFFAOYSA-N 1 0 343.412 2.774 20 5 EFBDRO CC(C)[NH+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000088478847 472366158 /nfs/dbraw/zinc/36/61/58/472366158.db2.gz JRWXSQFIDHKWAI-UHFFFAOYSA-N 1 0 348.447 2.781 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000057001779 472371912 /nfs/dbraw/zinc/37/19/12/472371912.db2.gz IJYNSUXORJGRMB-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004728 472372378 /nfs/dbraw/zinc/37/23/78/472372378.db2.gz RXQKKEBFJNJXPJ-HNNXBMFYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000057004843 472372982 /nfs/dbraw/zinc/37/29/82/472372982.db2.gz PGYBJYMDINXRQB-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607760 472377414 /nfs/dbraw/zinc/37/74/14/472377414.db2.gz GBUUJYQSXWZUIH-JKSUJKDBSA-N 1 0 346.431 2.535 20 5 EFBDRO CC(C)C(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069608694 472380592 /nfs/dbraw/zinc/38/05/92/472380592.db2.gz QGUSXUCYOHMJBK-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000076664915 472383396 /nfs/dbraw/zinc/38/33/96/472383396.db2.gz ZXPSCAIALUDDAN-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCOC1 ZINC000076719573 472390444 /nfs/dbraw/zinc/39/04/44/472390444.db2.gz QXJVLXBQYGHNGP-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000613389715 479984846 /nfs/dbraw/zinc/98/48/46/479984846.db2.gz LDBLQVGEIHTQLH-RDTXWAMCSA-N 1 0 330.384 2.728 20 5 EFBDRO CC[NH+](CC)CCOc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000076751866 472398541 /nfs/dbraw/zinc/39/85/41/472398541.db2.gz HYONEWWUCWBBOC-UHFFFAOYSA-N 1 0 347.419 2.661 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(OC(F)(F)F)c1 ZINC000128098893 472400328 /nfs/dbraw/zinc/40/03/28/472400328.db2.gz LBWKGTZCILEYNL-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)C3CCCCC3)o2)cc1 ZINC000096980066 472403062 /nfs/dbraw/zinc/40/30/62/472403062.db2.gz ZLLQBWSJPUMKNN-UHFFFAOYSA-N 1 0 346.387 2.772 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000613389129 479985056 /nfs/dbraw/zinc/98/50/56/479985056.db2.gz JDYLYICSUWGGPL-KBXCAEBGSA-N 1 0 330.384 2.728 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076795483 472404964 /nfs/dbraw/zinc/40/49/64/472404964.db2.gz POBNKOCJTIEDIJ-ZDUSSCGKSA-N 1 0 334.420 2.618 20 5 EFBDRO NC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000076798978 472405318 /nfs/dbraw/zinc/40/53/18/472405318.db2.gz DYVVZZBWWSNIIZ-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000154240092 472406559 /nfs/dbraw/zinc/40/65/59/472406559.db2.gz ZWRQZACSTLQPFL-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO C[NH+](C)Cc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000089306286 472410486 /nfs/dbraw/zinc/41/04/86/472410486.db2.gz DTRZAQYXJVVZGT-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033674 472415372 /nfs/dbraw/zinc/41/53/72/472415372.db2.gz KBGRICMEGNTBIS-SNVBAGLBSA-N 1 0 331.376 2.532 20 5 EFBDRO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000154330581 472419004 /nfs/dbraw/zinc/41/90/04/472419004.db2.gz GLXZNSQQAZWEHV-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000076921381 472424387 /nfs/dbraw/zinc/42/43/87/472424387.db2.gz FPOFZJZZISCYKH-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)C ZINC000128285572 472430551 /nfs/dbraw/zinc/43/05/51/472430551.db2.gz NOQAVMODSIOHJD-UHFFFAOYSA-N 1 0 341.383 2.667 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000069797670 472435528 /nfs/dbraw/zinc/43/55/28/472435528.db2.gz WEZFVVROFYTYJE-CYBMUJFWSA-N 1 0 339.823 2.797 20 5 EFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000097082870 472436289 /nfs/dbraw/zinc/43/62/89/472436289.db2.gz IOAVQWGANKJWFZ-DOMZBBRYSA-N 1 0 337.807 2.739 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045625289 472437148 /nfs/dbraw/zinc/43/71/48/472437148.db2.gz VFRPBSZYGXJEJK-GASCZTMLSA-N 1 0 348.447 2.762 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000154601980 472449475 /nfs/dbraw/zinc/44/94/75/472449475.db2.gz YRXWTTGVGFYVMS-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C1 ZINC000154650863 472457382 /nfs/dbraw/zinc/45/73/82/472457382.db2.gz QYFSLOKWZODDBU-WFASDCNBSA-N 1 0 342.399 2.602 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032732207 472458432 /nfs/dbraw/zinc/45/84/32/472458432.db2.gz VQQFTMFHGKAGNI-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000032734197 472461762 /nfs/dbraw/zinc/46/17/62/472461762.db2.gz AHIGRWGCQUZYPT-KRWDZBQOSA-N 1 0 344.415 2.528 20 5 EFBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032771645 472465901 /nfs/dbraw/zinc/46/59/01/472465901.db2.gz RMLKFMJQDXCBER-QGZVFWFLSA-N 1 0 348.374 2.996 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089602713 472468013 /nfs/dbraw/zinc/46/80/13/472468013.db2.gz PIVYTIYOIKCGLE-CYBMUJFWSA-N 1 0 325.796 2.913 20 5 EFBDRO CC(C)[NH+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000089619498 472470760 /nfs/dbraw/zinc/47/07/60/472470760.db2.gz MIGODRPNKFJILG-UHFFFAOYSA-N 1 0 343.449 2.529 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000089628255 472471636 /nfs/dbraw/zinc/47/16/36/472471636.db2.gz QRCLPELIEXILJK-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000045851944 472475063 /nfs/dbraw/zinc/47/50/63/472475063.db2.gz COMUORUHMLYIRY-MRXNPFEDSA-N 1 0 340.855 2.932 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089643950 472476062 /nfs/dbraw/zinc/47/60/62/472476062.db2.gz QOEUEVYLKMTLPS-MSOLQXFVSA-N 1 0 341.411 2.951 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000069977864 472479277 /nfs/dbraw/zinc/47/92/77/472479277.db2.gz VVQWZFDVTHEQBE-QGZVFWFLSA-N 1 0 330.384 2.604 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045913704 472484341 /nfs/dbraw/zinc/48/43/41/472484341.db2.gz WDFBLDNVDCWVJO-UHFFFAOYSA-N 1 0 335.404 2.916 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154996244 472495984 /nfs/dbraw/zinc/49/59/84/472495984.db2.gz OGRRFBBEOVVHTH-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000058154130 472507383 /nfs/dbraw/zinc/50/73/83/472507383.db2.gz MEANDSHRLMDNKH-UHFFFAOYSA-N 1 0 341.415 2.555 20 5 EFBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)cc1 ZINC000070790741 472512105 /nfs/dbraw/zinc/51/21/05/472512105.db2.gz SVVXITWFSCYLPJ-HNNXBMFYSA-N 1 0 345.403 2.586 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395917 472520728 /nfs/dbraw/zinc/52/07/28/472520728.db2.gz ZWEHBKWGPZRXLH-ZYHUDNBSSA-N 1 0 345.403 2.623 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058271507 472530550 /nfs/dbraw/zinc/53/05/50/472530550.db2.gz LAYBMLGDHHCWEE-GQCTYLIASA-N 1 0 349.406 2.984 20 5 EFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000071027988 472535313 /nfs/dbraw/zinc/53/53/13/472535313.db2.gz HYTSUOGAVMICMQ-UHFFFAOYSA-N 1 0 327.275 2.567 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000129312874 472536560 /nfs/dbraw/zinc/53/65/60/472536560.db2.gz NTTBOUDHZQSTHI-AWEZNQCLSA-N 1 0 327.384 2.952 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000058296188 472539592 /nfs/dbraw/zinc/53/95/92/472539592.db2.gz BSEIMECDWWMDFN-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000077563601 472556872 /nfs/dbraw/zinc/55/68/72/472556872.db2.gz VLVJBZGYVIRJGR-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1Cc2ccccc2C1 ZINC000155498800 472558770 /nfs/dbraw/zinc/55/87/70/472558770.db2.gz DUHNUOSAUBBLIL-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000046479055 472562305 /nfs/dbraw/zinc/56/23/05/472562305.db2.gz URPLGGWHQDMGCU-MRXNPFEDSA-N 1 0 345.374 2.565 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000119529418 472563561 /nfs/dbraw/zinc/56/35/61/472563561.db2.gz DKKXHPMITKMRNI-WHWKNOJMSA-N 1 0 331.416 2.702 20 5 EFBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047006 472586239 /nfs/dbraw/zinc/58/62/39/472586239.db2.gz SWFJXDLTEBNPIO-MAUKXSAKSA-N 1 0 347.459 2.616 20 5 EFBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000046708243 472588416 /nfs/dbraw/zinc/58/84/16/472588416.db2.gz YHNGYZSVTFRMOV-AWEZNQCLSA-N 1 0 329.356 2.755 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000046724066 472589522 /nfs/dbraw/zinc/58/95/22/472589522.db2.gz AMCKEZCWYARUJR-UHFFFAOYSA-N 1 0 335.385 2.849 20 5 EFBDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000046777818 472598441 /nfs/dbraw/zinc/59/84/41/472598441.db2.gz FIAQKFNXUSTSQZ-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](OCC(C)C)C1 ZINC000119910485 472600986 /nfs/dbraw/zinc/60/09/86/472600986.db2.gz XWKHXUFKUHMJDW-HNNXBMFYSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071888996 472601830 /nfs/dbraw/zinc/60/18/30/472601830.db2.gz SQUOKMAXWMFDNN-OLZOCXBDSA-N 1 0 349.456 2.676 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000059001058 472620262 /nfs/dbraw/zinc/62/02/62/472620262.db2.gz HFHROZMBDSWDSF-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1cccc(OC)c1 ZINC000090519100 472628208 /nfs/dbraw/zinc/62/82/08/472628208.db2.gz PUWUEHVBHRETKM-CQSZACIVSA-N 1 0 345.399 2.848 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000120092756 472629339 /nfs/dbraw/zinc/62/93/39/472629339.db2.gz JMHVACQSORKCQO-QAPCUYQASA-N 1 0 335.448 2.911 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000090525168 472629692 /nfs/dbraw/zinc/62/96/92/472629692.db2.gz RXVMVBPTYZTORH-KRWDZBQOSA-N 1 0 341.411 2.854 20 5 EFBDRO COc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000059890563 472630676 /nfs/dbraw/zinc/63/06/76/472630676.db2.gz NNJWCJDXHAJDMM-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)c(OC)c1 ZINC000090539200 472631436 /nfs/dbraw/zinc/63/14/36/472631436.db2.gz RWERDVRESIZFJS-CQSZACIVSA-N 1 0 334.376 2.549 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000090539960 472632101 /nfs/dbraw/zinc/63/21/01/472632101.db2.gz GMEHWGAYUKFHSU-OAHLLOKOSA-N 1 0 328.372 2.827 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000155890361 472634065 /nfs/dbraw/zinc/63/40/65/472634065.db2.gz SOEQDOZNXIRHBA-KBXCAEBGSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000090554011 472634778 /nfs/dbraw/zinc/63/47/78/472634778.db2.gz NOHHOCYELOIHBO-UHFFFAOYSA-N 1 0 335.791 2.935 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000090554083 472635006 /nfs/dbraw/zinc/63/50/06/472635006.db2.gz DIJFXYLVEUVEEG-SFHVURJKSA-N 1 0 327.384 2.888 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046989547 472635768 /nfs/dbraw/zinc/63/57/68/472635768.db2.gz KTBNEPVFCVBZTA-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000120175587 472643533 /nfs/dbraw/zinc/64/35/33/472643533.db2.gz BNNJERZWACVIHP-KGLIPLIRSA-N 1 0 332.404 2.912 20 5 EFBDRO COc1ccc(C[C@H](C)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000090619382 472645155 /nfs/dbraw/zinc/64/51/55/472645155.db2.gz RFLAQHBSOXNKIG-AWEZNQCLSA-N 1 0 332.404 2.611 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000120179425 472645216 /nfs/dbraw/zinc/64/52/16/472645216.db2.gz QBWIBDDEFXUBCL-CYBMUJFWSA-N 1 0 341.367 2.869 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000072274280 472645383 /nfs/dbraw/zinc/64/53/83/472645383.db2.gz ZGXMHLYTYLMVIH-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000060395594 472650919 /nfs/dbraw/zinc/65/09/19/472650919.db2.gz DOHVICWAVFGMPQ-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090687218 472652828 /nfs/dbraw/zinc/65/28/28/472652828.db2.gz ATKCSZCOMDKLNM-SJORKVTESA-N 1 0 346.431 2.926 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000047119926 472656929 /nfs/dbraw/zinc/65/69/29/472656929.db2.gz PXZVKDVHTYEZFD-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000047140872 472660089 /nfs/dbraw/zinc/66/00/89/472660089.db2.gz XGZDGBHQWRESJW-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156058170 472661015 /nfs/dbraw/zinc/66/10/15/472661015.db2.gz NPFMCGIPKUWKDN-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000131309925 472663126 /nfs/dbraw/zinc/66/31/26/472663126.db2.gz JUBZCYXPDBBQOE-WPRPVWTQSA-N 1 0 341.209 2.789 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000090910178 472664143 /nfs/dbraw/zinc/66/41/43/472664143.db2.gz YTCPKFZSDGUBHF-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060577314 472669952 /nfs/dbraw/zinc/66/99/52/472669952.db2.gz QXLVQIXXYBTYSP-UHFFFAOYSA-N 1 0 325.434 2.898 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156150373 472671576 /nfs/dbraw/zinc/67/15/76/472671576.db2.gz MDNIKJXWGCGPEO-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000120357559 472674032 /nfs/dbraw/zinc/67/40/32/472674032.db2.gz DGNPRJHRZSTSQA-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO CC[NH+]1CCC(N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000072559194 472677708 /nfs/dbraw/zinc/67/77/08/472677708.db2.gz GTISRQUQZGRFJM-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000078262510 472683069 /nfs/dbraw/zinc/68/30/69/472683069.db2.gz BJELMTFSEANFOJ-NSHDSACASA-N 1 0 329.347 2.974 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCO1 ZINC000104683392 472683654 /nfs/dbraw/zinc/68/36/54/472683654.db2.gz CGJLDKAEKGRHMB-OAHLLOKOSA-N 1 0 331.372 2.903 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000061030996 472688779 /nfs/dbraw/zinc/68/87/79/472688779.db2.gz HMIVJYBZLFMDSS-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3ccccc3F)C2)nc1 ZINC000072665085 472696603 /nfs/dbraw/zinc/69/66/03/472696603.db2.gz YZIQDUSYRAKUQW-CYBMUJFWSA-N 1 0 346.362 2.694 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000078338063 472698843 /nfs/dbraw/zinc/69/88/43/472698843.db2.gz HTKSTDQPXAFBTP-AAEUAGOBSA-N 1 0 335.433 2.885 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000072722506 472707951 /nfs/dbraw/zinc/70/79/51/472707951.db2.gz DXWQTAXENNZHJX-UHFFFAOYSA-N 1 0 342.193 2.780 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725456 472708660 /nfs/dbraw/zinc/70/86/60/472708660.db2.gz NIRSKPDRYHAAPC-HOCLYGCPSA-N 1 0 348.447 2.728 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156472969 472711811 /nfs/dbraw/zinc/71/18/11/472711811.db2.gz XPZSYAJIMNPGHI-ZDUSSCGKSA-N 1 0 342.399 2.557 20 5 EFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000078523898 472729040 /nfs/dbraw/zinc/72/90/40/472729040.db2.gz OLGOPXIBQRJDCT-NSHDSACASA-N 1 0 347.337 2.507 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000132524173 472738943 /nfs/dbraw/zinc/73/89/43/472738943.db2.gz OHGYHZMPYFHIIZ-IBGZPJMESA-N 1 0 342.395 2.787 20 5 EFBDRO C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000072947514 472745088 /nfs/dbraw/zinc/74/50/88/472745088.db2.gz IJRBQRJXBSFFKV-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000078674863 472752014 /nfs/dbraw/zinc/75/20/14/472752014.db2.gz AGAQDXXRNFEPCD-INIZCTEOSA-N 1 0 326.400 2.948 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)OCC)c2)C1 ZINC000091457813 472770044 /nfs/dbraw/zinc/77/00/44/472770044.db2.gz GFVLZOJPSAJTGP-ZDUSSCGKSA-N 1 0 335.404 2.915 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000091482759 472772127 /nfs/dbraw/zinc/77/21/27/472772127.db2.gz ZZFYKOPDJPJXPT-JTQLQIEISA-N 1 0 341.795 2.789 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000091483027 472772200 /nfs/dbraw/zinc/77/22/00/472772200.db2.gz KACWTWXNJBOHIX-CQSZACIVSA-N 1 0 346.431 2.585 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1cccc(OC)c1 ZINC000073109529 472773604 /nfs/dbraw/zinc/77/36/04/472773604.db2.gz BRRVJCDWFBYJLF-OAHLLOKOSA-N 1 0 347.419 2.832 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000047905746 472778542 /nfs/dbraw/zinc/77/85/42/472778542.db2.gz XYPSULCIVXDXKZ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120998936 472780353 /nfs/dbraw/zinc/78/03/53/472780353.db2.gz CSZIHUSJHDUTTI-DZKIICNBSA-N 1 0 348.447 2.946 20 5 EFBDRO Cc1c(CC(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000133269695 472786114 /nfs/dbraw/zinc/78/61/14/472786114.db2.gz TWIAPWKLXAAEEW-UHFFFAOYSA-N 1 0 345.443 2.923 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105873924 472793586 /nfs/dbraw/zinc/79/35/86/472793586.db2.gz ZNHHKZHYCJUJMW-JSGCOSHPSA-N 1 0 329.404 2.975 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157203960 472795159 /nfs/dbraw/zinc/79/51/59/472795159.db2.gz PMRUSLNELAIKJD-KGLIPLIRSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000121129761 472803664 /nfs/dbraw/zinc/80/36/64/472803664.db2.gz AKJQYBOTMCFGCB-HZMBPMFUSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121149063 472807137 /nfs/dbraw/zinc/80/71/37/472807137.db2.gz KYFPCEHUGADUFJ-MFKMUULPSA-N 1 0 325.796 2.660 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063771968 472812412 /nfs/dbraw/zinc/81/24/12/472812412.db2.gz CSSDINPJNWKFLR-UHFFFAOYSA-N 1 0 325.434 2.993 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000063810620 472816227 /nfs/dbraw/zinc/81/62/27/472816227.db2.gz QRTCPZYGDUGHDH-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000063852223 472821659 /nfs/dbraw/zinc/82/16/59/472821659.db2.gz XSVRLBNTVURMCN-CYBMUJFWSA-N 1 0 337.445 2.535 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000048169150 472824086 /nfs/dbraw/zinc/82/40/86/472824086.db2.gz IJGPMLSKHQCIED-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000157470875 472824080 /nfs/dbraw/zinc/82/40/80/472824080.db2.gz TVOOQLNJAOUPEJ-DZGCQCFKSA-N 1 0 331.416 2.505 20 5 EFBDRO [NH3+][C@@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000157469161 472824115 /nfs/dbraw/zinc/82/41/15/472824115.db2.gz VXPICTXJTBFGBO-SFHVURJKSA-N 1 0 339.395 2.960 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000133671176 472829009 /nfs/dbraw/zinc/82/90/09/472829009.db2.gz NEFSAGZLANWGNJ-UHFFFAOYSA-N 1 0 337.395 2.656 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121312369 472833575 /nfs/dbraw/zinc/83/35/75/472833575.db2.gz CUDQDPKTCXQWGN-APWZRJJASA-N 1 0 348.491 2.909 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000121346630 472838580 /nfs/dbraw/zinc/83/85/80/472838580.db2.gz GGPFATSAAXTVJG-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC000133827013 472845270 /nfs/dbraw/zinc/84/52/70/472845270.db2.gz DVSSJJURCOKDMR-YVEFUNNKSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC000133826810 472845571 /nfs/dbraw/zinc/84/55/71/472845571.db2.gz DVSSJJURCOKDMR-SJKOYZFVSA-N 1 0 337.395 2.974 20 5 EFBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000092047009 472847861 /nfs/dbraw/zinc/84/78/61/472847861.db2.gz NQXGCGKYKNYQGL-OAHLLOKOSA-N 1 0 349.431 2.672 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401254 472850831 /nfs/dbraw/zinc/85/08/31/472850831.db2.gz DKFVRRKUWZDKSW-UHFFFAOYSA-N 1 0 348.428 2.642 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818190 472883016 /nfs/dbraw/zinc/88/30/16/472883016.db2.gz YNSYKQSIHTZBRP-MRXNPFEDSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2nccs2)cccc1[N+](=O)[O-] ZINC000158018640 472883202 /nfs/dbraw/zinc/88/32/02/472883202.db2.gz SRILLIZWTWORLU-UHFFFAOYSA-N 1 0 348.428 2.863 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079551177 472883937 /nfs/dbraw/zinc/88/39/37/472883937.db2.gz FVSCFPNARAQMTE-QWHCGFSZSA-N 1 0 338.795 2.997 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])[NH+](C)C ZINC000064905651 472885411 /nfs/dbraw/zinc/88/54/11/472885411.db2.gz JXTQFMGGPGCQJG-INIZCTEOSA-N 1 0 336.436 2.733 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106870086 472902149 /nfs/dbraw/zinc/90/21/49/472902149.db2.gz BNRVNMZBFMGPML-AWEZNQCLSA-N 1 0 335.404 2.736 20 5 EFBDRO CC[N@@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000158171002 472902232 /nfs/dbraw/zinc/90/22/32/472902232.db2.gz RJIWOGNEVBBWBX-UHFFFAOYSA-N 1 0 344.415 2.820 20 5 EFBDRO CCOc1cccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106874097 472903876 /nfs/dbraw/zinc/90/38/76/472903876.db2.gz CDMCEHDXMCGDRU-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065202172 472907218 /nfs/dbraw/zinc/90/72/18/472907218.db2.gz JXGMFBZJDNTMQX-OAHLLOKOSA-N 1 0 329.404 2.652 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000065208318 472907274 /nfs/dbraw/zinc/90/72/74/472907274.db2.gz SKSNVSXSRZHJDO-UHFFFAOYSA-N 1 0 327.384 2.796 20 5 EFBDRO CS[C@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000134545829 472926680 /nfs/dbraw/zinc/92/66/80/472926680.db2.gz NGSWUKSNDMDADP-HNNXBMFYSA-N 1 0 349.456 2.701 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000121842006 472927254 /nfs/dbraw/zinc/92/72/54/472927254.db2.gz PKLIWKHQQAJDEI-CABCVRRESA-N 1 0 348.403 2.753 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000079914682 472941448 /nfs/dbraw/zinc/94/14/48/472941448.db2.gz SGWOASITEXCXOV-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000092630419 472948462 /nfs/dbraw/zinc/94/84/62/472948462.db2.gz SAOVSFSBFVGWNN-IRXDYDNUSA-N 1 0 346.475 2.898 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000049407639 472948450 /nfs/dbraw/zinc/94/84/50/472948450.db2.gz WSRMTCABTLSQEX-SFHVURJKSA-N 1 0 341.411 2.865 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000049407637 472948819 /nfs/dbraw/zinc/94/88/19/472948819.db2.gz WSRMTCABTLSQEX-GOSISDBHSA-N 1 0 341.411 2.865 20 5 EFBDRO COc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000074139637 472950457 /nfs/dbraw/zinc/95/04/57/472950457.db2.gz IUBWIOXCFGUJDO-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079985121 472953461 /nfs/dbraw/zinc/95/34/61/472953461.db2.gz XHPIRSVEHAEHAI-ZIAGYGMSSA-N 1 0 334.420 2.829 20 5 EFBDRO CCOc1cc(N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000092686578 472963555 /nfs/dbraw/zinc/96/35/55/472963555.db2.gz DHUFLITUBWPLDK-UHFFFAOYSA-N 1 0 344.415 2.957 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080055191 472969358 /nfs/dbraw/zinc/96/93/58/472969358.db2.gz YZAXZOQOOJWYQP-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccccc1 ZINC000074289407 472979042 /nfs/dbraw/zinc/97/90/42/472979042.db2.gz OWACUNWZPVQGNU-SFHVURJKSA-N 1 0 330.384 2.604 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074297304 472981359 /nfs/dbraw/zinc/98/13/59/472981359.db2.gz OMLCRBJMGPIFFD-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080138803 472982738 /nfs/dbraw/zinc/98/27/38/472982738.db2.gz BNBJIYCPJIDIKI-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO NC(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000122209282 472987643 /nfs/dbraw/zinc/98/76/43/472987643.db2.gz JABFRHGHDIEOPZ-KRWDZBQOSA-N 1 0 339.395 2.805 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000122254003 472993495 /nfs/dbraw/zinc/99/34/95/472993495.db2.gz ZNUVCQUDOXDFRU-MAUKXSAKSA-N 1 0 335.448 2.992 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2ccccc2OC)[NH+](C)C)c1[N+](=O)[O-] ZINC000092827019 472994333 /nfs/dbraw/zinc/99/43/33/472994333.db2.gz JOVZFDRKTFCNLJ-CQSZACIVSA-N 1 0 347.419 2.614 20 5 EFBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000092827612 472994961 /nfs/dbraw/zinc/99/49/61/472994961.db2.gz LZSQVBOVDYLVBO-UHFFFAOYSA-N 1 0 343.431 2.603 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080230977 472998696 /nfs/dbraw/zinc/99/86/96/472998696.db2.gz BYTALFDAEMGYCB-HIFRSBDPSA-N 1 0 329.404 2.793 20 5 EFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000080250785 473004191 /nfs/dbraw/zinc/00/41/91/473004191.db2.gz XXUBVYTXKZPMEY-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065777761 473008679 /nfs/dbraw/zinc/00/86/79/473008679.db2.gz QZCVTDIQKAIONB-UHFFFAOYSA-N 1 0 345.403 2.662 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000065841360 473017977 /nfs/dbraw/zinc/01/79/77/473017977.db2.gz CPMXHYXIKODXTR-UHFFFAOYSA-N 1 0 346.431 2.785 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000108371439 473018648 /nfs/dbraw/zinc/01/86/48/473018648.db2.gz XVIBPQGTIQEYML-AWEZNQCLSA-N 1 0 348.447 2.693 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000080406543 473024748 /nfs/dbraw/zinc/02/47/48/473024748.db2.gz YCBZXEBZUHMMHF-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000051184294 473030525 /nfs/dbraw/zinc/03/05/25/473030525.db2.gz VWVLJUSOMUBTBB-UHFFFAOYSA-N 1 0 327.384 2.665 20 5 EFBDRO Cc1nn(C)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000051232090 473034492 /nfs/dbraw/zinc/03/44/92/473034492.db2.gz LGLZZIXYSATJBI-ZDUSSCGKSA-N 1 0 333.392 2.869 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135209773 473036146 /nfs/dbraw/zinc/03/61/46/473036146.db2.gz AKAXHTFZJLBOMM-GXSJLCMTSA-N 1 0 329.194 2.872 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000080474073 473036417 /nfs/dbraw/zinc/03/64/17/473036417.db2.gz PEAHXVIUPSSKFM-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000122610618 473036955 /nfs/dbraw/zinc/03/69/55/473036955.db2.gz TVCJPDHDOWJFDI-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000066137280 473047471 /nfs/dbraw/zinc/04/74/71/473047471.db2.gz FGODLIPDDMZGRV-CHWSQXEVSA-N 1 0 339.461 2.922 20 5 EFBDRO O=C(NCC[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468365 473051566 /nfs/dbraw/zinc/05/15/66/473051566.db2.gz NQRDDBXLGSLNJR-UHFFFAOYSA-N 1 0 346.412 2.544 20 5 EFBDRO Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074727670 473052952 /nfs/dbraw/zinc/05/29/52/473052952.db2.gz UVIIMBPZLZVZAW-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108784431 473054157 /nfs/dbraw/zinc/05/41/57/473054157.db2.gz ZHDBRTUXHCQOHU-LLVKDONJSA-N 1 0 335.429 2.531 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000066190726 473056354 /nfs/dbraw/zinc/05/63/54/473056354.db2.gz UDRBZMNGSDYYCN-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CC(C)C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000051655001 473060586 /nfs/dbraw/zinc/06/05/86/473060586.db2.gz ABXQMJDDYHIQDE-OAHLLOKOSA-N 1 0 348.447 2.875 20 5 EFBDRO CC(C)C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000051655000 473060826 /nfs/dbraw/zinc/06/08/26/473060826.db2.gz ABXQMJDDYHIQDE-HNNXBMFYSA-N 1 0 348.447 2.875 20 5 EFBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159826074 473065089 /nfs/dbraw/zinc/06/50/89/473065089.db2.gz UWMWZMWBKZRKQH-KRWDZBQOSA-N 1 0 341.411 2.772 20 5 EFBDRO CC(C)N(C)C(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051903810 473072426 /nfs/dbraw/zinc/07/24/26/473072426.db2.gz SYSZTORUHPYXFZ-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135439802 473072580 /nfs/dbraw/zinc/07/25/80/473072580.db2.gz HIUGRNFRKVWZAB-ZDUSSCGKSA-N 1 0 334.401 2.972 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])c1 ZINC000135449405 473074713 /nfs/dbraw/zinc/07/47/13/473074713.db2.gz FDCPQKGHDJZUIO-GFCCVEGCSA-N 1 0 326.418 2.810 20 5 EFBDRO Cc1cncc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123032710 473088873 /nfs/dbraw/zinc/08/88/73/473088873.db2.gz RBJHKRVESYRGTD-UHFFFAOYSA-N 1 0 337.383 2.989 20 5 EFBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135630375 473101060 /nfs/dbraw/zinc/10/10/60/473101060.db2.gz PMNQZINIMDVAOG-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO CCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160453494 473126891 /nfs/dbraw/zinc/12/68/91/473126891.db2.gz JUVAEAVXMQDAMZ-HOCLYGCPSA-N 1 0 329.404 2.941 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000075158462 473141935 /nfs/dbraw/zinc/14/19/35/473141935.db2.gz UWEXUWYTOWVXAX-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000160577846 473145280 /nfs/dbraw/zinc/14/52/80/473145280.db2.gz XHNJWTWUHNNJTD-GFCCVEGCSA-N 1 0 333.310 2.704 20 5 EFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110350851 473152902 /nfs/dbraw/zinc/15/29/02/473152902.db2.gz SPZSTFQFCZIZHH-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000081125901 473152991 /nfs/dbraw/zinc/15/29/91/473152991.db2.gz BIGABNRLYKTHOC-SFHVURJKSA-N 1 0 339.395 2.941 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110355764 473154383 /nfs/dbraw/zinc/15/43/83/473154383.db2.gz HEJQQAUVOSQLSR-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO Cn1cc(C[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000093869997 473154953 /nfs/dbraw/zinc/15/49/53/473154953.db2.gz FMDRCLSNFNMVES-DRDHIDPGSA-N 1 0 326.400 2.906 20 5 EFBDRO Cc1noc([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000052863649 473157074 /nfs/dbraw/zinc/15/70/74/473157074.db2.gz VRANCZJYTUVOSY-CYBMUJFWSA-N 1 0 332.360 2.545 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566575 473159058 /nfs/dbraw/zinc/15/90/58/473159058.db2.gz HAGUXFSHPZSZOU-CYBMUJFWSA-N 1 0 332.379 2.922 20 5 EFBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000066865610 473166952 /nfs/dbraw/zinc/16/69/52/473166952.db2.gz XLUKTLSSJNKNGJ-JTQLQIEISA-N 1 0 329.784 2.544 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160739558 473168478 /nfs/dbraw/zinc/16/84/78/473168478.db2.gz OAJQLAYVIAFRGC-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290100 473177380 /nfs/dbraw/zinc/17/73/80/473177380.db2.gz VYOPJFILIRSSJR-AWEZNQCLSA-N 1 0 347.415 2.598 20 5 EFBDRO CCc1nn(C)c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000094134567 473179512 /nfs/dbraw/zinc/17/95/12/473179512.db2.gz ZCRLTKIOLVGCCK-ZDUSSCGKSA-N 1 0 343.431 2.749 20 5 EFBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136868040 473181696 /nfs/dbraw/zinc/18/16/96/473181696.db2.gz KDNFTQMPDNULEB-QGZVFWFLSA-N 1 0 334.347 2.778 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081334769 473186710 /nfs/dbraw/zinc/18/67/10/473186710.db2.gz AYBRNBFVOUMQAW-HNNXBMFYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000160878453 473186928 /nfs/dbraw/zinc/18/69/28/473186928.db2.gz RUZMJXDGTDNKBJ-MNOVXSKESA-N 1 0 339.342 2.572 20 5 EFBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053145769 473188685 /nfs/dbraw/zinc/18/86/85/473188685.db2.gz ZHHJDQLJKCAIHA-UHFFFAOYSA-N 1 0 334.401 2.820 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C2CCCCC2)CC1 ZINC000163010514 473405418 /nfs/dbraw/zinc/40/54/18/473405418.db2.gz GORSALADZIBBEP-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000171595247 473417934 /nfs/dbraw/zinc/41/79/34/473417934.db2.gz JTEJQGHKZSLHJJ-SFHVURJKSA-N 1 0 342.395 2.783 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000185410429 473419699 /nfs/dbraw/zinc/41/96/99/473419699.db2.gz VKXDDXILFUTQLE-RDJZCZTQSA-N 1 0 333.432 2.716 20 5 EFBDRO CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163327377 473433545 /nfs/dbraw/zinc/43/35/45/473433545.db2.gz IFHWMLYUKLRKCB-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000151271052 473435595 /nfs/dbraw/zinc/43/55/95/473435595.db2.gz XZIBMZRUORBSAY-UHFFFAOYSA-N 1 0 332.332 2.630 20 5 EFBDRO COc1cccc(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185506047 473445406 /nfs/dbraw/zinc/44/54/06/473445406.db2.gz GPJBAXYMXCENSI-UHFFFAOYSA-N 1 0 349.431 2.685 20 5 EFBDRO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171743460 473449472 /nfs/dbraw/zinc/44/94/72/473449472.db2.gz FRYBKMZUBXVWEX-CYBMUJFWSA-N 1 0 334.420 2.639 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000171829626 473466892 /nfs/dbraw/zinc/46/68/92/473466892.db2.gz HADULCDXWILTHA-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000191134840 473488199 /nfs/dbraw/zinc/48/81/99/473488199.db2.gz AHTWARBMAHNLEY-ZDUSSCGKSA-N 1 0 349.431 2.906 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000114644711 473488745 /nfs/dbraw/zinc/48/87/45/473488745.db2.gz JMLLMYGQWSUSQM-SFHVURJKSA-N 1 0 339.395 2.989 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126100427 473489065 /nfs/dbraw/zinc/48/90/65/473489065.db2.gz FGEHPMZTDFKWJW-PBHICJAKSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cs1 ZINC000185692772 473489668 /nfs/dbraw/zinc/48/96/68/473489668.db2.gz OXZOIOYKJPKUDC-UHFFFAOYSA-N 1 0 333.413 2.971 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330592 473492154 /nfs/dbraw/zinc/49/21/54/473492154.db2.gz MCVWTFANVXWQQF-JKSUJKDBSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329792 473492202 /nfs/dbraw/zinc/49/22/02/473492202.db2.gz LRDXTICJSQMVLE-NVXWUHKLSA-N 1 0 335.448 2.911 20 5 EFBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC(O)C1 ZINC000191157254 473493651 /nfs/dbraw/zinc/49/36/51/473493651.db2.gz OGXWVDCIXJPTHT-UHFFFAOYSA-N 1 0 333.413 2.921 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000178340975 473495564 /nfs/dbraw/zinc/49/55/64/473495564.db2.gz MUQPMWTVWIDOQI-SNVBAGLBSA-N 1 0 346.330 2.673 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000151824935 473497024 /nfs/dbraw/zinc/49/70/24/473497024.db2.gz DQPVKKCQURKEAF-AWEZNQCLSA-N 1 0 343.374 2.969 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000164867344 473500502 /nfs/dbraw/zinc/50/05/02/473500502.db2.gz YGQRHPDBOPBHLI-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ncsc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172070122 473515206 /nfs/dbraw/zinc/51/52/06/473515206.db2.gz JUFOTPBDDOUJIF-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO Cc1c(Br)c(NCC[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165821236 473516650 /nfs/dbraw/zinc/51/66/50/473516650.db2.gz KNBRZFXILPKUDT-SNVBAGLBSA-N 1 0 343.225 2.862 20 5 EFBDRO CCC([NH3+])(CC)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165838432 473516661 /nfs/dbraw/zinc/51/66/61/473516661.db2.gz NJYVETIDAKOXOH-UHFFFAOYSA-N 1 0 331.214 2.990 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000191356058 473530443 /nfs/dbraw/zinc/53/04/43/473530443.db2.gz VILWCUNJDWFKIW-UHFFFAOYSA-N 1 0 346.391 2.614 20 5 EFBDRO CCc1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000115200925 473543764 /nfs/dbraw/zinc/54/37/64/473543764.db2.gz STOLOCZXOZTTER-UHFFFAOYSA-N 1 0 349.431 2.525 20 5 EFBDRO CCCCC[N@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000126865136 473553367 /nfs/dbraw/zinc/55/33/67/473553367.db2.gz DSCJRFQXZSUEIX-UHFFFAOYSA-N 1 0 346.431 2.980 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000152379266 473554240 /nfs/dbraw/zinc/55/42/40/473554240.db2.gz VGPICFZJCFPEGM-KSSFIOAISA-N 1 0 329.444 2.990 20 5 EFBDRO CC1(C)CN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000178759776 473555960 /nfs/dbraw/zinc/55/59/60/473555960.db2.gz DSJIMKARSATUAT-QGZVFWFLSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000178773255 473559571 /nfs/dbraw/zinc/55/95/71/473559571.db2.gz NCNXPAPPMBERPY-MNOVXSKESA-N 1 0 341.795 2.544 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172256521 473563263 /nfs/dbraw/zinc/56/32/63/473563263.db2.gz LDKRFQKNQGWVML-OAHLLOKOSA-N 1 0 334.420 2.659 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000152639266 473584654 /nfs/dbraw/zinc/58/46/54/473584654.db2.gz HCJZSRJXYRLFKA-UHFFFAOYSA-N 1 0 342.399 2.747 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000152688063 473589512 /nfs/dbraw/zinc/58/95/12/473589512.db2.gz VGAVTKGEILDDCA-MRXNPFEDSA-N 1 0 330.384 2.687 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000127303234 473597548 /nfs/dbraw/zinc/59/75/48/473597548.db2.gz PXNVUNLWUIFCRJ-ZDUSSCGKSA-N 1 0 349.456 2.875 20 5 EFBDRO CCC[C@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127307143 473598791 /nfs/dbraw/zinc/59/87/91/473598791.db2.gz MRRMGXQUKBYFCS-WFASDCNBSA-N 1 0 328.434 2.849 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000127343733 473601596 /nfs/dbraw/zinc/60/15/96/473601596.db2.gz OAIJAZBUEIGBSC-AWEZNQCLSA-N 1 0 337.420 2.528 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000172416326 473604539 /nfs/dbraw/zinc/60/45/39/473604539.db2.gz RAAXRRPBORAGAI-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178992319 473606937 /nfs/dbraw/zinc/60/69/37/473606937.db2.gz KKBRCYSWEORXEI-SMDDNHRTSA-N 1 0 335.429 2.745 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000127404089 473609016 /nfs/dbraw/zinc/60/90/16/473609016.db2.gz HTAOUVUXKCJMON-PXAZEXFGSA-N 1 0 344.415 2.878 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153222617 473613647 /nfs/dbraw/zinc/61/36/47/473613647.db2.gz VMSSBYCOZAXYMQ-UPJWGTAASA-N 1 0 333.388 2.662 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000179050874 473618661 /nfs/dbraw/zinc/61/86/61/473618661.db2.gz MHFFHCRGTKVTSX-INIZCTEOSA-N 1 0 339.395 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186228618 473622469 /nfs/dbraw/zinc/62/24/69/473622469.db2.gz ZNRRGIIHBBDZIL-CQSZACIVSA-N 1 0 329.404 2.968 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505312 473627587 /nfs/dbraw/zinc/62/75/87/473627587.db2.gz KKDIVKVSGXXRJB-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116129432 473629860 /nfs/dbraw/zinc/62/98/60/473629860.db2.gz DTGDPCAAJFWXDM-HNNXBMFYSA-N 1 0 337.420 2.700 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000116232009 473640783 /nfs/dbraw/zinc/64/07/83/473640783.db2.gz YMJIHGKDXYSUOR-AWEZNQCLSA-N 1 0 347.419 2.567 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)[NH2+]1 ZINC000153819808 473644409 /nfs/dbraw/zinc/64/44/09/473644409.db2.gz IZOBEKJCIFUJGH-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO C[N@@H+](CCc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179214645 473655451 /nfs/dbraw/zinc/65/54/51/473655451.db2.gz GYZONJVIXYIVIP-UHFFFAOYSA-N 1 0 335.791 2.584 20 5 EFBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000192450484 473681526 /nfs/dbraw/zinc/68/15/26/473681526.db2.gz KZGXUNLTFXMXEC-UHFFFAOYSA-N 1 0 336.417 2.994 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192551886 473691308 /nfs/dbraw/zinc/69/13/08/473691308.db2.gz FGDXCGNVQNPNNQ-AWEZNQCLSA-N 1 0 348.428 2.754 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000186580312 473693399 /nfs/dbraw/zinc/69/33/99/473693399.db2.gz GMWCLIUQZVIRAL-XPAKDJPHSA-N 1 0 334.416 2.764 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192632126 473697858 /nfs/dbraw/zinc/69/78/58/473697858.db2.gz NFFXHKXVLGHQKD-CZUORRHYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245439069 473699119 /nfs/dbraw/zinc/69/91/19/473699119.db2.gz FQFOLTSYNILHOE-GDBMZVCRSA-N 1 0 348.447 2.728 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000192693218 473705540 /nfs/dbraw/zinc/70/55/40/473705540.db2.gz UIEUVODQDKZQQT-KRWDZBQOSA-N 1 0 331.416 2.964 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000192715536 473710630 /nfs/dbraw/zinc/71/06/30/473710630.db2.gz KBSCSHRSGCMKRO-GUYCJALGSA-N 1 0 331.416 2.963 20 5 EFBDRO COCCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737946 473716807 /nfs/dbraw/zinc/71/68/07/473716807.db2.gz XLVLLPIXEBETEZ-SFHVURJKSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)(C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000269173562 473718339 /nfs/dbraw/zinc/71/83/39/473718339.db2.gz KMDVYJCIMKTODF-MRXNPFEDSA-N 1 0 327.384 2.689 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000269173735 473718751 /nfs/dbraw/zinc/71/87/51/473718751.db2.gz ZZJIVRNVUHDECT-AWEZNQCLSA-N 1 0 335.404 2.736 20 5 EFBDRO COc1cccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000192765032 473720724 /nfs/dbraw/zinc/72/07/24/473720724.db2.gz UCFQBXIVMKNEAU-KRWDZBQOSA-N 1 0 330.388 2.900 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000287654648 473725321 /nfs/dbraw/zinc/72/53/21/473725321.db2.gz VEDCRPAQNQDHSF-ZDUSSCGKSA-N 1 0 338.404 2.576 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000287680547 473731986 /nfs/dbraw/zinc/73/19/86/473731986.db2.gz JLKMWMGPFQQSRR-ZDUSSCGKSA-N 1 0 335.404 2.710 20 5 EFBDRO CSCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274125966 473737928 /nfs/dbraw/zinc/73/79/28/473737928.db2.gz VRAJEPCWDYOQCJ-UHFFFAOYSA-N 1 0 349.460 2.736 20 5 EFBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269225357 473738977 /nfs/dbraw/zinc/73/89/77/473738977.db2.gz UIUHWMMAJLDSQU-AGIUHOORSA-N 1 0 337.445 2.580 20 5 EFBDRO Cc1cnc(COC(=O)C2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000192888683 473741853 /nfs/dbraw/zinc/74/18/53/473741853.db2.gz NSKQTGBZDWBOMC-UHFFFAOYSA-N 1 0 333.388 2.524 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000192909383 473746356 /nfs/dbraw/zinc/74/63/56/473746356.db2.gz PZNSRPFPGPXFCD-CYBMUJFWSA-N 1 0 333.413 2.997 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000281511780 473747232 /nfs/dbraw/zinc/74/72/32/473747232.db2.gz ABOQNGMQYSOAGE-QHCPKHFHSA-N 1 0 334.397 2.856 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCOCC1 ZINC000179876685 473747293 /nfs/dbraw/zinc/74/72/93/473747293.db2.gz OMOUKKBPMJJRQY-CYBMUJFWSA-N 1 0 335.404 2.637 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000269259283 473752735 /nfs/dbraw/zinc/75/27/35/473752735.db2.gz QEEPLGPYINFIJE-SJCJKPOMSA-N 1 0 343.383 2.556 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179906555 473753115 /nfs/dbraw/zinc/75/31/15/473753115.db2.gz CZQBETCOBWURDM-UHFFFAOYSA-N 1 0 345.346 2.658 20 5 EFBDRO COc1ccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000269259287 473753413 /nfs/dbraw/zinc/75/34/13/473753413.db2.gz QEEPLGPYINFIJE-SJKOYZFVSA-N 1 0 343.383 2.556 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269270055 473756806 /nfs/dbraw/zinc/75/68/06/473756806.db2.gz MAQUXYVMJYUQOP-NXEZZACHSA-N 1 0 345.321 2.813 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173156640 473758746 /nfs/dbraw/zinc/75/87/46/473758746.db2.gz MKMUEESWPZAGTB-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274225131 473766614 /nfs/dbraw/zinc/76/66/14/473766614.db2.gz OPXSXOPLOIBASZ-OCCSQVGLSA-N 1 0 332.404 2.500 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274225127 473766689 /nfs/dbraw/zinc/76/66/89/473766689.db2.gz OPXSXOPLOIBASZ-JSGCOSHPSA-N 1 0 332.404 2.500 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274297821 473775696 /nfs/dbraw/zinc/77/56/96/473775696.db2.gz STBPMKPEIJRVAK-ZFWWWQNUSA-N 1 0 332.404 2.960 20 5 EFBDRO COc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000274299731 473776996 /nfs/dbraw/zinc/77/69/96/473776996.db2.gz JGPYNNCYWJXVPL-NSHDSACASA-N 1 0 334.351 2.845 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173258539 473784234 /nfs/dbraw/zinc/78/42/34/473784234.db2.gz RWFVAIRJYLEOAY-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000274345890 473790631 /nfs/dbraw/zinc/79/06/31/473790631.db2.gz VUAURKHWXBRUJY-AWEZNQCLSA-N 1 0 337.395 2.803 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000281669221 473800743 /nfs/dbraw/zinc/80/07/43/473800743.db2.gz LLIXWCRCLGGDDU-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000263691249 473806869 /nfs/dbraw/zinc/80/68/69/473806869.db2.gz JUTKZAFNDVFBLA-HNNXBMFYSA-N 1 0 339.395 2.992 20 5 EFBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000263691255 473807393 /nfs/dbraw/zinc/80/73/93/473807393.db2.gz JUTKZAFNDVFBLA-OAHLLOKOSA-N 1 0 339.395 2.992 20 5 EFBDRO CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCCC1 ZINC000287958887 473808191 /nfs/dbraw/zinc/80/81/91/473808191.db2.gz YWFQCAPCAUESAH-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EFBDRO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000263741396 473829305 /nfs/dbraw/zinc/82/93/05/473829305.db2.gz NRAQFBQTQPIJAH-NSHDSACASA-N 1 0 331.397 2.644 20 5 EFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180223645 473832455 /nfs/dbraw/zinc/83/24/55/473832455.db2.gz SBZNVEWOMGMEPD-SFHVURJKSA-N 1 0 344.411 2.901 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000246338110 473833484 /nfs/dbraw/zinc/83/34/84/473833484.db2.gz UHLBQCZZQSEUHA-YOEHRIQHSA-N 1 0 329.400 2.570 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000246338102 473833901 /nfs/dbraw/zinc/83/39/01/473833901.db2.gz UHLBQCZZQSEUHA-WMLDXEAASA-N 1 0 329.400 2.570 20 5 EFBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000263770393 473842186 /nfs/dbraw/zinc/84/21/86/473842186.db2.gz SRBDINUHYPNKAL-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281808028 473844794 /nfs/dbraw/zinc/84/47/94/473844794.db2.gz YUJHCPZZKAIOTC-UXLLHSPISA-N 1 0 345.443 2.907 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000288093321 473845982 /nfs/dbraw/zinc/84/59/82/473845982.db2.gz IYFRCQBNTUEQKN-UHFFFAOYSA-N 1 0 347.419 2.672 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3c([N+](=O)[O-])c(C)nn3C)c2)CC1 ZINC000274490151 473847852 /nfs/dbraw/zinc/84/78/52/473847852.db2.gz PTJCLKORDYXXPN-UHFFFAOYSA-N 1 0 344.419 2.522 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCc3c(F)ccc(F)c3C2)c1 ZINC000269631549 473848672 /nfs/dbraw/zinc/84/86/72/473848672.db2.gz FTVRGEZRODZBQC-QGZVFWFLSA-N 1 0 334.322 2.965 20 5 EFBDRO COCC[N@H+](CCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269649126 473849742 /nfs/dbraw/zinc/84/97/42/473849742.db2.gz LRZURHBAEZOJPM-IBGZPJMESA-N 1 0 344.411 2.819 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000173519319 473864256 /nfs/dbraw/zinc/86/42/56/473864256.db2.gz KFFGHGKWIWTDDW-AWEZNQCLSA-N 1 0 343.383 2.924 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180393148 473865730 /nfs/dbraw/zinc/86/57/30/473865730.db2.gz AFGAAVKLGMIZLN-SWLSCSKDSA-N 1 0 334.347 2.824 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@H]1c1ccccc1 ZINC000288182770 473868413 /nfs/dbraw/zinc/86/84/13/473868413.db2.gz REEANHXAYPYCEL-HNNXBMFYSA-N 1 0 329.404 2.613 20 5 EFBDRO C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000187415353 473870024 /nfs/dbraw/zinc/87/00/24/473870024.db2.gz QMSGLJVUBKCHRD-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426004 473875566 /nfs/dbraw/zinc/87/55/66/473875566.db2.gz KJUQWLHOMLAVRD-ZBEGNZNMSA-N 1 0 331.328 2.887 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281895931 473875909 /nfs/dbraw/zinc/87/59/09/473875909.db2.gz HMXBTUAGRJYNLP-CHWSQXEVSA-N 1 0 337.445 2.663 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435918 473876486 /nfs/dbraw/zinc/87/64/86/473876486.db2.gz KIFOWHMDYUPPDD-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180443715 473879097 /nfs/dbraw/zinc/87/90/97/473879097.db2.gz FQTNOOAVONOHKR-GUYCJALGSA-N 1 0 348.374 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)o2)cc1 ZINC000246518387 473889574 /nfs/dbraw/zinc/88/95/74/473889574.db2.gz FQLOZEFACZILAK-DZGCQCFKSA-N 1 0 344.371 2.646 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000246532619 473892765 /nfs/dbraw/zinc/89/27/65/473892765.db2.gz GEUIUSQJXSJESX-NHYWBVRUSA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000173619493 473893697 /nfs/dbraw/zinc/89/36/97/473893697.db2.gz KWIOXJDVYVFYHJ-CQSZACIVSA-N 1 0 348.447 2.693 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274618099 473897653 /nfs/dbraw/zinc/89/76/53/473897653.db2.gz VPWLDBSNWYZXLQ-GFCCVEGCSA-N 1 0 327.768 2.569 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000263904089 473899879 /nfs/dbraw/zinc/89/98/79/473899879.db2.gz DOISINBYJNTEQM-UHFFFAOYSA-N 1 0 331.372 2.897 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454660 473900388 /nfs/dbraw/zinc/90/03/88/473900388.db2.gz JDEPWZCIOUZRCK-GJZGRUSLSA-N 1 0 335.360 2.940 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000263908970 473902235 /nfs/dbraw/zinc/90/22/35/473902235.db2.gz IWZPCCUNVZUSNP-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000173649808 473903487 /nfs/dbraw/zinc/90/34/87/473903487.db2.gz YTRWZHQZPCZZJL-ZDUSSCGKSA-N 1 0 346.387 2.585 20 5 EFBDRO CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274634963 473904614 /nfs/dbraw/zinc/90/46/14/473904614.db2.gz CXIGUIKKXAKKFQ-OLZOCXBDSA-N 1 0 342.852 2.659 20 5 EFBDRO CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274634965 473905121 /nfs/dbraw/zinc/90/51/21/473905121.db2.gz CXIGUIKKXAKKFQ-STQMWFEESA-N 1 0 342.852 2.659 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000194488632 473905950 /nfs/dbraw/zinc/90/59/50/473905950.db2.gz MJAXYVCGKKGDDQ-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000281994317 473910662 /nfs/dbraw/zinc/91/06/62/473910662.db2.gz PTFYWVDLHVOYHG-SNVBAGLBSA-N 1 0 345.321 2.815 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246596058 473912809 /nfs/dbraw/zinc/91/28/09/473912809.db2.gz CXYOTMQIPADRMJ-TZMCWYRMSA-N 1 0 328.821 2.955 20 5 EFBDRO CCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000282032935 473923854 /nfs/dbraw/zinc/92/38/54/473923854.db2.gz TYOWWHRTHFBYAD-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO CS[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274709097 473928511 /nfs/dbraw/zinc/92/85/11/473928511.db2.gz XDHQVNDKKZIZDN-DLBZAZTESA-N 1 0 349.456 2.813 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246684442 473933850 /nfs/dbraw/zinc/93/38/50/473933850.db2.gz WBTQXHSKUHDIMG-XJKSGUPXSA-N 1 0 330.388 2.883 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000264006835 473936463 /nfs/dbraw/zinc/93/64/63/473936463.db2.gz QJNUTEBKESKRNP-MRXNPFEDSA-N 1 0 328.368 2.613 20 5 EFBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246738471 473946560 /nfs/dbraw/zinc/94/65/60/473946560.db2.gz MNWLVIFHRQXYIN-KBXCAEBGSA-N 1 0 342.395 2.781 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000288471267 473952385 /nfs/dbraw/zinc/95/23/85/473952385.db2.gz QKCJJPTYFNLKKT-UHFFFAOYSA-N 1 0 331.397 2.613 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288485874 473957136 /nfs/dbraw/zinc/95/71/36/473957136.db2.gz RFVLSGUNIYLELI-JSGCOSHPSA-N 1 0 342.399 2.775 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000274791652 473961189 /nfs/dbraw/zinc/96/11/89/473961189.db2.gz RXBBUZKEJSTIGO-INIZCTEOSA-N 1 0 327.388 2.707 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188060801 473967248 /nfs/dbraw/zinc/96/72/48/473967248.db2.gz XLPULQVTAMXCPK-UHFFFAOYSA-N 1 0 347.419 2.665 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282194314 473978109 /nfs/dbraw/zinc/97/81/09/473978109.db2.gz CERKRCCQMIHFNF-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(CNCc2ccncc2OC[C@H]2CCOC2)cs1 ZINC000288551958 473979149 /nfs/dbraw/zinc/97/91/49/473979149.db2.gz XVQYAUDNIWLYAX-LBPRGKRZSA-N 1 0 349.412 2.756 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000194936189 473979354 /nfs/dbraw/zinc/97/93/54/473979354.db2.gz IEFPJUXKGJMDLH-GOEBONIOSA-N 1 0 343.427 2.992 20 5 EFBDRO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330465 474026052 /nfs/dbraw/zinc/02/60/52/474026052.db2.gz AZUSNVHWRDUXLL-GOSISDBHSA-N 1 0 341.411 2.899 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264543945 474030934 /nfs/dbraw/zinc/03/09/34/474030934.db2.gz OBPDLIVBRFNLBR-ROJDOSBLSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]([NH+]4CCCCC4)C3)cc2N1 ZINC000264543379 474031854 /nfs/dbraw/zinc/03/18/54/474031854.db2.gz BCZWMNPNJVDVJM-CQSZACIVSA-N 1 0 344.415 2.544 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1F ZINC000282381677 474043739 /nfs/dbraw/zinc/04/37/39/474043739.db2.gz GALPMIRPPQZCPT-INIZCTEOSA-N 1 0 348.374 2.648 20 5 EFBDRO CC[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181539675 474047599 /nfs/dbraw/zinc/04/75/99/474047599.db2.gz DGOKVVKVOXBLHF-INIZCTEOSA-N 1 0 338.367 2.844 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000264584572 474048610 /nfs/dbraw/zinc/04/86/10/474048610.db2.gz KIKZMCOPFHDRSD-PBHICJAKSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000264584578 474048953 /nfs/dbraw/zinc/04/89/53/474048953.db2.gz KIKZMCOPFHDRSD-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181581559 474050912 /nfs/dbraw/zinc/05/09/12/474050912.db2.gz KQOFSQWOUKKLJZ-NSHDSACASA-N 1 0 345.355 2.598 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270272732 474054050 /nfs/dbraw/zinc/05/40/50/474054050.db2.gz UFRJGBZAPOTCIJ-LXXRFIIISA-N 1 0 343.427 2.798 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181668947 474056316 /nfs/dbraw/zinc/05/63/16/474056316.db2.gz CWFMQHDHMCSVAP-TZMCWYRMSA-N 1 0 346.431 2.681 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000264612026 474059651 /nfs/dbraw/zinc/05/96/51/474059651.db2.gz IKOHUFPZUQXRMI-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000174544359 474059642 /nfs/dbraw/zinc/05/96/42/474059642.db2.gz ZGRYRNGNWUXBTB-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000195336145 474060353 /nfs/dbraw/zinc/06/03/53/474060353.db2.gz UQWRFSMPTBBIEW-UHFFFAOYSA-N 1 0 343.431 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264614375 474060901 /nfs/dbraw/zinc/06/09/01/474060901.db2.gz QGULCVOFIJBOGH-QGZVFWFLSA-N 1 0 333.432 2.924 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270295113 474061277 /nfs/dbraw/zinc/06/12/77/474061277.db2.gz XMRHMYHFXSMHBD-QGZVFWFLSA-N 1 0 345.443 2.961 20 5 EFBDRO CN(C)C(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000270306523 474065981 /nfs/dbraw/zinc/06/59/81/474065981.db2.gz FZQSSFLYMVTEOI-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([NH+](C)C)C1 ZINC000264632036 474067931 /nfs/dbraw/zinc/06/79/31/474067931.db2.gz RNBUCXXUDFKAFV-DOMZBBRYSA-N 1 0 345.403 2.732 20 5 EFBDRO C[C@H](NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000282474252 474079658 /nfs/dbraw/zinc/07/96/58/474079658.db2.gz OBHPAAGXIWBGFF-HNNXBMFYSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247174396 474080688 /nfs/dbraw/zinc/08/06/88/474080688.db2.gz AWSKYMLFKSGNOK-WRXNQZLMSA-N 1 0 331.416 2.797 20 5 EFBDRO NC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182020286 474081053 /nfs/dbraw/zinc/08/10/53/474081053.db2.gz OQYJMPDWRDCYBF-ZDUSSCGKSA-N 1 0 346.387 2.650 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccco2)no1 ZINC000282479863 474081465 /nfs/dbraw/zinc/08/14/65/474081465.db2.gz OUGHWZJXCZHKSU-UHFFFAOYSA-N 1 0 328.328 2.912 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275141883 474084627 /nfs/dbraw/zinc/08/46/27/474084627.db2.gz VLXKHNFUHITFRM-QWRGUYRKSA-N 1 0 345.321 2.656 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000270370743 474094322 /nfs/dbraw/zinc/09/43/22/474094322.db2.gz JTMQYNBIDOECIJ-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275206589 474103891 /nfs/dbraw/zinc/10/38/91/474103891.db2.gz IXKIOBHPVBUSPP-GOEBONIOSA-N 1 0 335.404 2.779 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000282539537 474104208 /nfs/dbraw/zinc/10/42/08/474104208.db2.gz CAJCWFVBQYQJHF-UHFFFAOYSA-N 1 0 347.371 2.665 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000198152799 474104624 /nfs/dbraw/zinc/10/46/24/474104624.db2.gz AUQUJOFKIAIORX-KRWDZBQOSA-N 1 0 339.395 2.528 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000275214855 474106446 /nfs/dbraw/zinc/10/64/46/474106446.db2.gz KGRRBXLZYUBQSI-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000198229213 474107112 /nfs/dbraw/zinc/10/71/12/474107112.db2.gz SAYDWBCCWIAYAJ-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000282549196 474107294 /nfs/dbraw/zinc/10/72/94/474107294.db2.gz XAUFUNMASSBYCQ-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO COC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)oc1C ZINC000282567729 474113539 /nfs/dbraw/zinc/11/35/39/474113539.db2.gz ZGIPRYDXAWZYBD-UHFFFAOYSA-N 1 0 332.356 2.957 20 5 EFBDRO CCOc1cc(NC2CC[NH+](CCCOC)CC2)ccc1[N+](=O)[O-] ZINC000174907387 474116039 /nfs/dbraw/zinc/11/60/39/474116039.db2.gz PYSVPERINFETGK-UHFFFAOYSA-N 1 0 337.420 2.906 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000282576466 474117319 /nfs/dbraw/zinc/11/73/19/474117319.db2.gz AGVJUZVUKUFHRD-CQSZACIVSA-N 1 0 349.431 2.940 20 5 EFBDRO CCC(CC)(CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182188221 474119502 /nfs/dbraw/zinc/11/95/02/474119502.db2.gz GMMKMTXECXNDIZ-UHFFFAOYSA-N 1 0 328.434 2.927 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256853 474121077 /nfs/dbraw/zinc/12/10/77/474121077.db2.gz RITNNAMHBWXDCF-KGLIPLIRSA-N 1 0 332.360 2.692 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256858 474121409 /nfs/dbraw/zinc/12/14/09/474121409.db2.gz RITNNAMHBWXDCF-ZIAGYGMSSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264774860 474123133 /nfs/dbraw/zinc/12/31/33/474123133.db2.gz VSLRSAPPSIJHBR-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2cccc(F)c2)CC1 ZINC000289050508 474130761 /nfs/dbraw/zinc/13/07/61/474130761.db2.gz ZVOOJVFFBBYQQD-UHFFFAOYSA-N 1 0 347.394 2.581 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175082010 474140423 /nfs/dbraw/zinc/14/04/23/474140423.db2.gz FPMGTAPVUMGRRT-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000217150400 474141486 /nfs/dbraw/zinc/14/14/86/474141486.db2.gz DXPNEIOSCFBZNM-MGPQQGTHSA-N 1 0 348.447 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c2c(c1)COCO2 ZINC000282648122 474142641 /nfs/dbraw/zinc/14/26/41/474142641.db2.gz KXGQMUKCAWJLJD-MRXNPFEDSA-N 1 0 348.399 2.900 20 5 EFBDRO Cc1nn(C)c(NCc2ccccc2-n2ccnc2C)c1[N+](=O)[O-] ZINC000264839489 474144491 /nfs/dbraw/zinc/14/44/91/474144491.db2.gz JLJNBYODLRGOCN-UHFFFAOYSA-N 1 0 326.360 2.743 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000289128935 474158863 /nfs/dbraw/zinc/15/88/63/474158863.db2.gz DTFMHCXPDWRWJV-JOCQHMNTSA-N 1 0 346.431 2.664 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccccc1 ZINC000265017925 474164518 /nfs/dbraw/zinc/16/45/18/474164518.db2.gz IMFOAQSYIVOSGL-IBGZPJMESA-N 1 0 344.411 2.647 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282733577 474172598 /nfs/dbraw/zinc/17/25/98/474172598.db2.gz LJFNCCXTPHOBLS-KRWDZBQOSA-N 1 0 348.447 2.653 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282733580 474172690 /nfs/dbraw/zinc/17/26/90/474172690.db2.gz LJFNCCXTPHOBLS-QGZVFWFLSA-N 1 0 348.447 2.653 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000182430384 474174345 /nfs/dbraw/zinc/17/43/45/474174345.db2.gz FGIXZHDYAGOJAN-OAHLLOKOSA-N 1 0 346.358 2.753 20 5 EFBDRO CC[N@H+](CCOCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282754155 474179751 /nfs/dbraw/zinc/17/97/51/474179751.db2.gz OHXXQZSDEHBSSU-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000270601115 474185629 /nfs/dbraw/zinc/18/56/29/474185629.db2.gz ARVNIZFQUSCLNG-MLGOLLRUSA-N 1 0 338.404 2.992 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275439302 474185959 /nfs/dbraw/zinc/18/59/59/474185959.db2.gz JUPVWUAPEDXHSK-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1cccc(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000275444965 474188288 /nfs/dbraw/zinc/18/82/88/474188288.db2.gz KTFVHIDKLBPJQN-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000275502497 474211732 /nfs/dbraw/zinc/21/17/32/474211732.db2.gz CCYCZTHRCQRIFE-HNNXBMFYSA-N 1 0 344.371 2.961 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175416799 474213255 /nfs/dbraw/zinc/21/32/55/474213255.db2.gz FTCWYTOUJLOMPQ-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000275516054 474218658 /nfs/dbraw/zinc/21/86/58/474218658.db2.gz VUIHYPOVNWYZFA-CVEARBPZSA-N 1 0 337.445 2.619 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175467527 474228159 /nfs/dbraw/zinc/22/81/59/474228159.db2.gz DWMUHOZYVRJEIU-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000265473629 474228754 /nfs/dbraw/zinc/22/87/54/474228754.db2.gz QDTAILCJNVPKOG-JTQLQIEISA-N 1 0 346.416 2.534 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175524357 474241321 /nfs/dbraw/zinc/24/13/21/474241321.db2.gz KWMZXNSNZSQXGE-AWEZNQCLSA-N 1 0 336.436 2.995 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182724028 474241452 /nfs/dbraw/zinc/24/14/52/474241452.db2.gz UIKKEMKEPSPYHA-CHWSQXEVSA-N 1 0 340.445 2.783 20 5 EFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175538888 474245173 /nfs/dbraw/zinc/24/51/73/474245173.db2.gz UWVGAXVGFQELBO-CXAGYDPISA-N 1 0 349.431 2.565 20 5 EFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175538872 474245585 /nfs/dbraw/zinc/24/55/85/474245585.db2.gz UWVGAXVGFQELBO-DYVFJYSZSA-N 1 0 349.431 2.565 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248027626 474248393 /nfs/dbraw/zinc/24/83/93/474248393.db2.gz SLBWAYGXSFZWAZ-UHFFFAOYSA-N 1 0 341.411 2.728 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000248063913 474253452 /nfs/dbraw/zinc/25/34/52/474253452.db2.gz ZAHNDJMPCNGNBA-XHDPSFHLSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+](C)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000275636581 474260682 /nfs/dbraw/zinc/26/06/82/474260682.db2.gz RKHTVYKQPUIYIH-UHFFFAOYSA-N 1 0 329.347 2.770 20 5 EFBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000175675416 474280150 /nfs/dbraw/zinc/28/01/50/474280150.db2.gz RMQNBZDYDPKBPZ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000283035790 474281353 /nfs/dbraw/zinc/28/13/53/474281353.db2.gz QULGALLZUYXDSX-INIZCTEOSA-N 1 0 340.383 2.991 20 5 EFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000189084915 474286102 /nfs/dbraw/zinc/28/61/02/474286102.db2.gz VNSIRAUINFEKKH-CYBMUJFWSA-N 1 0 331.416 2.932 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000270861061 474297675 /nfs/dbraw/zinc/29/76/75/474297675.db2.gz ZWQDKSKYPSOQMQ-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289510193 474302681 /nfs/dbraw/zinc/30/26/81/474302681.db2.gz VAVCPXSVDPUPOA-KRWDZBQOSA-N 1 0 345.399 2.848 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1O ZINC000283124823 474311371 /nfs/dbraw/zinc/31/13/71/474311371.db2.gz ZGHYKNJXMNXJQU-KRWDZBQOSA-N 1 0 346.383 2.749 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000289540482 474315394 /nfs/dbraw/zinc/31/53/94/474315394.db2.gz DNMNQBJUJXDWKQ-GWCFXTLKSA-N 1 0 338.795 2.806 20 5 EFBDRO COc1cc(C[N@H+](CCO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000275784670 474317659 /nfs/dbraw/zinc/31/76/59/474317659.db2.gz CXHZFPRJBVBBAU-UHFFFAOYSA-N 1 0 346.330 2.552 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000183062171 474318421 /nfs/dbraw/zinc/31/84/21/474318421.db2.gz RKQCHOVLTSZZOB-UHFFFAOYSA-N 1 0 344.367 2.779 20 5 EFBDRO COC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265750338 474321971 /nfs/dbraw/zinc/32/19/71/474321971.db2.gz HJVYPSDKOWYLKL-ZDUSSCGKSA-N 1 0 336.413 2.810 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000265753904 474322994 /nfs/dbraw/zinc/32/29/94/474322994.db2.gz DDKOIYGHFDWNQO-DLBZAZTESA-N 1 0 341.411 2.890 20 5 EFBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450284 474328400 /nfs/dbraw/zinc/32/84/00/474328400.db2.gz IOHKXDGPZSCPAL-HZPDHXFCSA-N 1 0 345.399 2.813 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000248456737 474329517 /nfs/dbraw/zinc/32/95/17/474329517.db2.gz LVUHMMMVXKALEJ-QKPAOTATSA-N 1 0 334.416 2.845 20 5 EFBDRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283186880 474332336 /nfs/dbraw/zinc/33/23/36/474332336.db2.gz FKLVVJPRPZGWOI-AWEZNQCLSA-N 1 0 335.404 2.670 20 5 EFBDRO C[S@](=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183120144 474333632 /nfs/dbraw/zinc/33/36/32/474333632.db2.gz KTUGMBCEDJSHMU-MYYSRTQBSA-N 1 0 348.424 2.683 20 5 EFBDRO CN(C)C(=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237145157 474344348 /nfs/dbraw/zinc/34/43/48/474344348.db2.gz DLLJGZVCLYQBLF-UHFFFAOYSA-N 1 0 348.428 2.676 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000175939489 474344627 /nfs/dbraw/zinc/34/46/27/474344627.db2.gz NIHOXXGEWFBAPL-UHFFFAOYSA-N 1 0 346.362 2.987 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237148072 474347000 /nfs/dbraw/zinc/34/70/00/474347000.db2.gz FXGJGIQRXXGSTP-ZDUSSCGKSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCOC(C)C ZINC000265847345 474359645 /nfs/dbraw/zinc/35/96/45/474359645.db2.gz HNPFQXJONVAPOG-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183254420 474359702 /nfs/dbraw/zinc/35/97/02/474359702.db2.gz PIQLIXDFCUJLQH-AEFFLSMTSA-N 1 0 346.431 2.838 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176004286 474361458 /nfs/dbraw/zinc/36/14/58/474361458.db2.gz BJJYZABGINYJLB-KBPBESRZSA-N 1 0 348.447 2.665 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000237231425 474362777 /nfs/dbraw/zinc/36/27/77/474362777.db2.gz GQFQRGMGAAMXJZ-MRXNPFEDSA-N 1 0 346.383 2.744 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CO)C3CCCC3)o2)c1 ZINC000289658283 474365266 /nfs/dbraw/zinc/36/52/66/474365266.db2.gz VWNPTPNLGWSBEP-MRXNPFEDSA-N 1 0 345.399 2.933 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000275943920 474368394 /nfs/dbraw/zinc/36/83/94/474368394.db2.gz ZPCOBUYLCFVZGR-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000271022546 474371704 /nfs/dbraw/zinc/37/17/04/474371704.db2.gz ARLCFZRDZNCTDZ-ZDUSSCGKSA-N 1 0 337.445 2.581 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000248596730 474372256 /nfs/dbraw/zinc/37/22/56/474372256.db2.gz TVRJGCRGZNOCPV-PBKGOJFUSA-N 1 0 335.404 2.956 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916622 474384650 /nfs/dbraw/zinc/38/46/50/474384650.db2.gz ZDVNCUVGLHDLIU-WCQYABFASA-N 1 0 346.836 2.694 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1ccnc1 ZINC000237358963 474387727 /nfs/dbraw/zinc/38/77/27/474387727.db2.gz OZGMDJYKBMXCPO-NSHDSACASA-N 1 0 340.330 2.819 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283393449 474391432 /nfs/dbraw/zinc/39/14/32/474391432.db2.gz USFCKJQOPNVSGL-JKSUJKDBSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183563648 474393027 /nfs/dbraw/zinc/39/30/27/474393027.db2.gz WIZZQYKZIXPUOA-LBPRGKRZSA-N 1 0 335.408 2.622 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265941294 474395434 /nfs/dbraw/zinc/39/54/34/474395434.db2.gz HSUXNBNJJPUEOP-RISCZKNCSA-N 1 0 331.372 2.753 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000276034525 474395345 /nfs/dbraw/zinc/39/53/45/474395345.db2.gz RVLLRWNQWAGVOA-GFCCVEGCSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000237426591 474401968 /nfs/dbraw/zinc/40/19/68/474401968.db2.gz RONSAWACUXLRDT-BBRMVZONSA-N 1 0 327.384 2.823 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000183630165 474403338 /nfs/dbraw/zinc/40/33/38/474403338.db2.gz GFAMAYVUZILXFA-AWEZNQCLSA-N 1 0 347.350 2.553 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNc1nc(C(C)C)nc(N(C)C)n1 ZINC000271164834 474415291 /nfs/dbraw/zinc/41/52/91/474415291.db2.gz JLDHCMLHFVXGDW-UHFFFAOYSA-N 1 0 346.391 2.590 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248750468 474425068 /nfs/dbraw/zinc/42/50/68/474425068.db2.gz GJRJROKHUMNAOK-ZIAGYGMSSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000271185357 474427927 /nfs/dbraw/zinc/42/79/27/474427927.db2.gz ZEONWYFHPGHCEL-HNNXBMFYSA-N 1 0 349.431 2.672 20 5 EFBDRO Cc1nnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000289791496 474428794 /nfs/dbraw/zinc/42/87/94/474428794.db2.gz NGNOZLXPUYFJTA-AWEZNQCLSA-N 1 0 332.429 2.908 20 5 EFBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248773395 474432219 /nfs/dbraw/zinc/43/22/19/474432219.db2.gz RHPLXJPDWTWNOQ-KFWWJZLASA-N 1 0 333.432 2.920 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271196840 474436187 /nfs/dbraw/zinc/43/61/87/474436187.db2.gz OQWSUGCTDMGNEG-KRWDZBQOSA-N 1 0 346.387 2.772 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000189627863 474451530 /nfs/dbraw/zinc/45/15/30/474451530.db2.gz JWKSDZKNINXPCQ-UHFFFAOYSA-N 1 0 344.415 2.875 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000289862549 474460648 /nfs/dbraw/zinc/46/06/48/474460648.db2.gz QPNFPKUIEVXSDW-DZGCQCFKSA-N 1 0 349.431 2.671 20 5 EFBDRO COC[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289870992 474463449 /nfs/dbraw/zinc/46/34/49/474463449.db2.gz PAXOMEVFOUZOOX-KRWDZBQOSA-N 1 0 348.424 2.861 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@H](OCCO)C1 ZINC000289903245 474478467 /nfs/dbraw/zinc/47/84/67/474478467.db2.gz NGEAYSYGBQXAFG-LBPRGKRZSA-N 1 0 349.214 2.875 20 5 EFBDRO [NH3+]C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237814738 474481482 /nfs/dbraw/zinc/48/14/82/474481482.db2.gz MILMVEVEBGGBKB-SFHVURJKSA-N 1 0 341.411 2.776 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271304816 474483089 /nfs/dbraw/zinc/48/30/89/474483089.db2.gz VEQUZRNAKDMNLQ-CABCVRRESA-N 1 0 331.416 2.877 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248941271 474487100 /nfs/dbraw/zinc/48/71/00/474487100.db2.gz YTURNJMEDXITEW-RDTXWAMCSA-N 1 0 339.395 2.845 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000237859578 474488469 /nfs/dbraw/zinc/48/84/69/474488469.db2.gz QQEPCWFXNHULEW-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000276310861 474491563 /nfs/dbraw/zinc/49/15/63/474491563.db2.gz XEMBONSBTIJTTL-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266824387 474493778 /nfs/dbraw/zinc/49/37/78/474493778.db2.gz WNPRSFJAMAMPCD-OAHLLOKOSA-N 1 0 342.399 2.660 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248976854 474496366 /nfs/dbraw/zinc/49/63/66/474496366.db2.gz DYBWNYYXENRSDR-WCQYABFASA-N 1 0 337.445 2.915 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266851013 474503229 /nfs/dbraw/zinc/50/32/29/474503229.db2.gz IUXQUSQEBMZHGK-AWEZNQCLSA-N 1 0 348.424 2.860 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176587046 474503821 /nfs/dbraw/zinc/50/38/21/474503821.db2.gz AHTMXZHRYHAADO-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000237922282 474505593 /nfs/dbraw/zinc/50/55/93/474505593.db2.gz QXNYPSDNJNOKQI-MRXNPFEDSA-N 1 0 327.384 2.734 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176706342 474519278 /nfs/dbraw/zinc/51/92/78/474519278.db2.gz QFIKUDVCQOVBST-JKSUJKDBSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289997712 474520035 /nfs/dbraw/zinc/52/00/35/474520035.db2.gz XWOGIMZCNBEBLN-LPHOPBHVSA-N 1 0 342.395 2.859 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176721168 474520615 /nfs/dbraw/zinc/52/06/15/474520615.db2.gz BFKDKKDNDRCAGI-CQSZACIVSA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000276383638 474520923 /nfs/dbraw/zinc/52/09/23/474520923.db2.gz GXJOEEGBJVGYEF-BBRMVZONSA-N 1 0 332.404 2.770 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189974736 474524076 /nfs/dbraw/zinc/52/40/76/474524076.db2.gz WXWIJBOYIFERQB-GWCFXTLKSA-N 1 0 330.331 2.837 20 5 EFBDRO [NH3+]CCCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000238052806 474527527 /nfs/dbraw/zinc/52/75/27/474527527.db2.gz PEEKYNBGEUOXQW-UHFFFAOYSA-N 1 0 342.399 2.676 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000266916635 474528857 /nfs/dbraw/zinc/52/88/57/474528857.db2.gz GLQUZPQOTYSWRY-HNNXBMFYSA-N 1 0 346.387 2.646 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000266916428 474529249 /nfs/dbraw/zinc/52/92/49/474529249.db2.gz NHWDXYXMZZDSLW-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO Cc1ccc(NCc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000266943310 474541678 /nfs/dbraw/zinc/54/16/78/474541678.db2.gz BZSVRQKPAKCUIZ-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000290060009 474544045 /nfs/dbraw/zinc/54/40/45/474544045.db2.gz YDUXNRMHDQATDT-JSGCOSHPSA-N 1 0 335.379 2.741 20 5 EFBDRO C[C@H]1C(=O)N(C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190088889 474545952 /nfs/dbraw/zinc/54/59/52/474545952.db2.gz DJMHIFDEZDYJFM-LBPRGKRZSA-N 1 0 329.356 2.517 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000290086858 474552865 /nfs/dbraw/zinc/55/28/65/474552865.db2.gz WNHPDBCWQKZIOY-SJORKVTESA-N 1 0 333.432 2.668 20 5 EFBDRO Cc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266986391 474556563 /nfs/dbraw/zinc/55/65/63/474556563.db2.gz BBBWXROGBLGGMO-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000266984525 474556758 /nfs/dbraw/zinc/55/67/58/474556758.db2.gz RLSZPTGLKMPWNA-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500822 474572891 /nfs/dbraw/zinc/57/28/91/474572891.db2.gz MABKIIWFLQPAFO-VHSSKADRSA-N 1 0 333.432 2.623 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500809 474573343 /nfs/dbraw/zinc/57/33/43/474573343.db2.gz MABKIIWFLQPAFO-DOPJRALCSA-N 1 0 333.432 2.623 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000184653943 474575741 /nfs/dbraw/zinc/57/57/41/474575741.db2.gz SLBGTQHAOHJDMF-DOTOQJQBSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000184700421 474588316 /nfs/dbraw/zinc/58/83/16/474588316.db2.gz LFXCHGSYLBQWDA-KRWDZBQOSA-N 1 0 345.443 2.718 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F ZINC000271794923 474592585 /nfs/dbraw/zinc/59/25/85/474592585.db2.gz RDVPLMABKCQDEX-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000284209273 474596057 /nfs/dbraw/zinc/59/60/57/474596057.db2.gz ZKOFREDQILRROV-GOSISDBHSA-N 1 0 329.400 2.996 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000184727862 474596394 /nfs/dbraw/zinc/59/63/94/474596394.db2.gz AHJAFGKIJNFOAH-WBVHZDCISA-N 1 0 333.432 2.716 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000267151400 474602534 /nfs/dbraw/zinc/60/25/34/474602534.db2.gz ZYJOLTHGHLPAPE-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284281193 474608914 /nfs/dbraw/zinc/60/89/14/474608914.db2.gz XIXBREQWGJPWPK-CZUORRHYSA-N 1 0 329.400 2.994 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000267192845 474613698 /nfs/dbraw/zinc/61/36/98/474613698.db2.gz DLIZZGOYEPEGHA-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000267195229 474615100 /nfs/dbraw/zinc/61/51/00/474615100.db2.gz NJEKRRHZECWEIV-UHFFFAOYSA-N 1 0 325.384 2.671 20 5 EFBDRO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000272874160 474630994 /nfs/dbraw/zinc/63/09/94/474630994.db2.gz VIJZKWWHJXORCN-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000272880752 474632511 /nfs/dbraw/zinc/63/25/11/474632511.db2.gz WTEBXNLODOFSCE-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000267272810 474634058 /nfs/dbraw/zinc/63/40/58/474634058.db2.gz IWPLLCAUNPWRQC-ZBFHGGJFSA-N 1 0 333.432 2.861 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272885037 474634282 /nfs/dbraw/zinc/63/42/82/474634282.db2.gz YMCQDPKVXMBLKQ-ZIAGYGMSSA-N 1 0 346.431 2.914 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000267298998 474641581 /nfs/dbraw/zinc/64/15/81/474641581.db2.gz PRAZELSJLBPHDZ-CHWSQXEVSA-N 1 0 330.388 2.679 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000278443572 474646364 /nfs/dbraw/zinc/64/63/64/474646364.db2.gz QYGVDTLMCMXHGP-LLVKDONJSA-N 1 0 344.337 2.931 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000291682874 474648512 /nfs/dbraw/zinc/64/85/12/474648512.db2.gz CMXLIGIBZSXGSI-CYBMUJFWSA-N 1 0 332.404 2.933 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000344340129 474664191 /nfs/dbraw/zinc/66/41/91/474664191.db2.gz KSWNHQLXMQYRKQ-OAHLLOKOSA-N 1 0 325.368 2.769 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272998563 474664071 /nfs/dbraw/zinc/66/40/71/474664071.db2.gz XEKPXXFSKDPQFN-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO C[C@H]1C[NH+](CCC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000267434824 474670052 /nfs/dbraw/zinc/67/00/52/474670052.db2.gz XNPSTVWMXHAEOD-GJZGRUSLSA-N 1 0 348.447 2.706 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1 ZINC000344349218 474673136 /nfs/dbraw/zinc/67/31/36/474673136.db2.gz VODZLJRQTOOGLG-JKSUJKDBSA-N 1 0 336.338 2.922 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000292862934 474682388 /nfs/dbraw/zinc/68/23/88/474682388.db2.gz COTIYZGUIHRDSU-CQSZACIVSA-N 1 0 348.447 2.998 20 5 EFBDRO Cc1c([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000305114242 474695590 /nfs/dbraw/zinc/69/55/90/474695590.db2.gz HFZVWLOFUNWKGF-HOTGVXAUSA-N 1 0 335.448 2.647 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000291821606 474704485 /nfs/dbraw/zinc/70/44/85/474704485.db2.gz IBBPZOSGAOWGJS-CQSZACIVSA-N 1 0 336.436 2.632 20 5 EFBDRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154135 474706142 /nfs/dbraw/zinc/70/61/42/474706142.db2.gz VEIJFRYGTQOART-OLZOCXBDSA-N 1 0 349.456 2.896 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284658914 474710173 /nfs/dbraw/zinc/71/01/73/474710173.db2.gz GIAPUNBYSPUXLX-HOTGVXAUSA-N 1 0 333.388 2.567 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284658916 474710940 /nfs/dbraw/zinc/71/09/40/474710940.db2.gz GIAPUNBYSPUXLX-HZPDHXFCSA-N 1 0 333.388 2.567 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284663334 474711525 /nfs/dbraw/zinc/71/15/25/474711525.db2.gz GOHMJIIVAACFBR-GOEBONIOSA-N 1 0 336.388 2.626 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000291886263 474733880 /nfs/dbraw/zinc/73/38/80/474733880.db2.gz LXRJAOKFTRPEJK-LLVKDONJSA-N 1 0 325.434 2.775 20 5 EFBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340870665 474736421 /nfs/dbraw/zinc/73/64/21/474736421.db2.gz BZNDNGJWTBDXCF-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340870750 474736541 /nfs/dbraw/zinc/73/65/41/474736541.db2.gz CFSFTZVMENRRKS-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421111 474740982 /nfs/dbraw/zinc/74/09/82/474740982.db2.gz GXXKOVPFRYGCNC-FRRDWIJNSA-N 1 0 337.395 2.779 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344479045 474752542 /nfs/dbraw/zinc/75/25/42/474752542.db2.gz YXBODNRKNJLFKC-PHIMTYICSA-N 1 0 325.796 2.803 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[C@H]1O ZINC000305745324 474762711 /nfs/dbraw/zinc/76/27/11/474762711.db2.gz NUBOFCDJYCQMRU-ZWNOBZJWSA-N 1 0 330.331 2.789 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCCO1 ZINC000273201231 474773790 /nfs/dbraw/zinc/77/37/90/474773790.db2.gz RMNHRZFYMHLIDI-CYBMUJFWSA-N 1 0 339.367 2.563 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000609192648 480125221 /nfs/dbraw/zinc/12/52/21/480125221.db2.gz ZBGBGRIQEJYQII-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO Cc1[nH]nc2ncc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc12 ZINC000338957489 474776629 /nfs/dbraw/zinc/77/66/29/474776629.db2.gz GFTWFZGJPJVERD-UHFFFAOYSA-N 1 0 325.372 2.849 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278692176 474778915 /nfs/dbraw/zinc/77/89/15/474778915.db2.gz MXGPWPWTXPNOII-CQSZACIVSA-N 1 0 340.383 2.818 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293043842 474782130 /nfs/dbraw/zinc/78/21/30/474782130.db2.gz HFCXJLIZSNFFGO-QGZVFWFLSA-N 1 0 349.431 2.979 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268087805 474790121 /nfs/dbraw/zinc/79/01/21/474790121.db2.gz IEFFQXYJCJBEAY-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCC3)o2)c([N+](=O)[O-])c1 ZINC000344834137 474798800 /nfs/dbraw/zinc/79/88/00/474798800.db2.gz FSGWHUWMUOEEHJ-UHFFFAOYSA-N 1 0 331.372 2.659 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000273253629 474804768 /nfs/dbraw/zinc/80/47/68/474804768.db2.gz YPXXNPYLUKMFQS-ZFWWWQNUSA-N 1 0 346.383 2.694 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255127186 474808858 /nfs/dbraw/zinc/80/88/58/474808858.db2.gz GLAPRCLMQVJYJA-NKIGNDQYSA-N 1 0 329.400 2.551 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000293100342 474812637 /nfs/dbraw/zinc/81/26/37/474812637.db2.gz RWFJLJAZYATFAU-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCOC(=O)c1cc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268131474 474816387 /nfs/dbraw/zinc/81/63/87/474816387.db2.gz FSWNQSANYYNIIC-UHFFFAOYSA-N 1 0 335.404 2.738 20 5 EFBDRO CCOC(=O)c1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268131217 474817183 /nfs/dbraw/zinc/81/71/83/474817183.db2.gz AKOIBSUKBUKKLG-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255174376 474817508 /nfs/dbraw/zinc/81/75/08/474817508.db2.gz UUVMIBAUOXZGRQ-IJOJBTCESA-N 1 0 329.400 2.693 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000284897743 474817765 /nfs/dbraw/zinc/81/77/65/474817765.db2.gz CDAGXGOVMNMILS-IAOMBJDPSA-N 1 0 335.404 2.554 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268146683 474824907 /nfs/dbraw/zinc/82/49/07/474824907.db2.gz OFMHCPQMTJWUPR-NSHDSACASA-N 1 0 342.827 2.778 20 5 EFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000337250128 474825771 /nfs/dbraw/zinc/82/57/71/474825771.db2.gz MOSCQLINSHWXSO-UHFFFAOYSA-N 1 0 342.399 2.502 20 5 EFBDRO Cc1nn(C)c(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000310931469 474832364 /nfs/dbraw/zinc/83/23/64/474832364.db2.gz TZUZOTIZGVOZIW-SFHVURJKSA-N 1 0 343.431 2.961 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000268156507 474832559 /nfs/dbraw/zinc/83/25/59/474832559.db2.gz NYLXWXZJGRHXRO-CQSZACIVSA-N 1 0 337.376 2.828 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000278787053 474834851 /nfs/dbraw/zinc/83/48/51/474834851.db2.gz LZHFRVZJRFDBDC-JGGQBBKZSA-N 1 0 338.404 2.838 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000278787049 474835985 /nfs/dbraw/zinc/83/59/85/474835985.db2.gz LZHFRVZJRFDBDC-DUVNUKRYSA-N 1 0 338.404 2.838 20 5 EFBDRO CCn1nccc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000278824716 474854875 /nfs/dbraw/zinc/85/48/75/474854875.db2.gz HUIWFKJALOFKIS-SFHVURJKSA-N 1 0 344.415 2.724 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273350942 474855515 /nfs/dbraw/zinc/85/55/15/474855515.db2.gz CLUTVJSGFJYGEF-LBPRGKRZSA-N 1 0 338.383 2.930 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014441 474862765 /nfs/dbraw/zinc/86/27/65/474862765.db2.gz HGJZCWUPKBWQLI-DETPVDSQSA-N 1 0 337.445 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CO)CC3)co2)cc1 ZINC000293209419 474868936 /nfs/dbraw/zinc/86/89/36/474868936.db2.gz RDKGSDGVVBDVCN-CYBMUJFWSA-N 1 0 331.372 2.844 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292146361 474873815 /nfs/dbraw/zinc/87/38/15/474873815.db2.gz JRJNCJFZWKHJCV-GUYCJALGSA-N 1 0 349.456 2.630 20 5 EFBDRO CCCC[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273388078 474874330 /nfs/dbraw/zinc/87/43/30/474874330.db2.gz DCRRUPRVZQSSCG-ZDUSSCGKSA-N 1 0 328.434 2.927 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000268230859 474874334 /nfs/dbraw/zinc/87/43/34/474874334.db2.gz QAZAZIMIAXCGIZ-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000315828979 474874443 /nfs/dbraw/zinc/87/44/43/474874443.db2.gz UNRQKNDGOMDPCV-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000345083649 474874636 /nfs/dbraw/zinc/87/46/36/474874636.db2.gz LCXKFKOSJVIXFW-UHFFFAOYSA-N 1 0 331.376 2.503 20 5 EFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337301698 474875025 /nfs/dbraw/zinc/87/50/25/474875025.db2.gz OSRCUCMOLSOYPU-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000278862059 474878078 /nfs/dbraw/zinc/87/80/78/474878078.db2.gz SCFFFBKARBWOAL-IUODEOHRSA-N 1 0 335.404 2.940 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292161870 474880839 /nfs/dbraw/zinc/88/08/39/474880839.db2.gz DBUMRNRJGOAUIR-LBPRGKRZSA-N 1 0 334.376 2.814 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292163300 474882073 /nfs/dbraw/zinc/88/20/73/474882073.db2.gz VIUCKKPDFVUBDE-LLVKDONJSA-N 1 0 348.428 2.966 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000318448314 474890820 /nfs/dbraw/zinc/89/08/20/474890820.db2.gz AKDMAEJJRYMEJT-NXEZZACHSA-N 1 0 331.214 2.532 20 5 EFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000255679614 474892534 /nfs/dbraw/zinc/89/25/34/474892534.db2.gz SUPBVOOWRUKROV-VURMDHGXSA-N 1 0 347.459 2.898 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293256900 474892947 /nfs/dbraw/zinc/89/29/47/474892947.db2.gz FYHNRCIPTQFKSN-RYUDHWBXSA-N 1 0 325.434 2.709 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255713575 474895458 /nfs/dbraw/zinc/89/54/58/474895458.db2.gz JWFSROZMUGTXPV-ZPUOCTKUSA-N 1 0 343.427 2.942 20 5 EFBDRO CC1(C)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273448046 474902415 /nfs/dbraw/zinc/90/24/15/474902415.db2.gz ODNBHZYZWJIWEJ-UHFFFAOYSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278901494 474903929 /nfs/dbraw/zinc/90/39/29/474903929.db2.gz RUGVQPWRRGHRKL-AWEZNQCLSA-N 1 0 333.432 2.588 20 5 EFBDRO CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000273451216 474904178 /nfs/dbraw/zinc/90/41/78/474904178.db2.gz LIFUNBSXSOCBEL-ZDUSSCGKSA-N 1 0 336.323 2.751 20 5 EFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000273457666 474906668 /nfs/dbraw/zinc/90/66/68/474906668.db2.gz DXRAJGZKRUOVSK-HSYXRWIHSA-N 1 0 329.400 2.551 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000293296011 474913931 /nfs/dbraw/zinc/91/39/31/474913931.db2.gz KNEVACYOEDOVLP-MRXNPFEDSA-N 1 0 330.384 2.509 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255903726 474916919 /nfs/dbraw/zinc/91/69/19/474916919.db2.gz KIDRHDWFRHSDEZ-SELBCVKXSA-N 1 0 329.400 2.693 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000255908786 474919177 /nfs/dbraw/zinc/91/91/77/474919177.db2.gz KYYHAVVYMPWDRU-QZDDGCDVSA-N 1 0 327.388 2.612 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292243452 474919880 /nfs/dbraw/zinc/91/98/80/474919880.db2.gz DESBTSGWNLAEKG-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273489265 474924820 /nfs/dbraw/zinc/92/48/20/474924820.db2.gz SANOEYLTLPFABD-UHFFFAOYSA-N 1 0 338.383 2.976 20 5 EFBDRO CC[C@H]1CCCCN1C(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285213808 474931262 /nfs/dbraw/zinc/93/12/62/474931262.db2.gz DWZWADAJJSHDGP-INIZCTEOSA-N 1 0 333.432 2.860 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000273513358 474939433 /nfs/dbraw/zinc/93/94/33/474939433.db2.gz PAVFPWOJPKXJRQ-WDEREUQCSA-N 1 0 344.824 2.608 20 5 EFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000268365390 474943203 /nfs/dbraw/zinc/94/32/03/474943203.db2.gz LASSZIPNEBVBCX-ZBEGNZNMSA-N 1 0 330.388 2.535 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COCc2cccs2)cccc1[N+](=O)[O-] ZINC000323037651 474943666 /nfs/dbraw/zinc/94/36/66/474943666.db2.gz AZYVYOUYIUFZCP-AWEZNQCLSA-N 1 0 336.413 2.632 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000273523789 474944995 /nfs/dbraw/zinc/94/49/95/474944995.db2.gz PYNCDRNHTKDHSQ-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COCc2cccs2)cccc1[N+](=O)[O-] ZINC000323037652 474945688 /nfs/dbraw/zinc/94/56/88/474945688.db2.gz AZYVYOUYIUFZCP-CQSZACIVSA-N 1 0 336.413 2.632 20 5 EFBDRO Cc1c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000323517115 474949372 /nfs/dbraw/zinc/94/93/72/474949372.db2.gz BIZSISXWMOSVGN-UHFFFAOYSA-N 1 0 328.294 2.952 20 5 EFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000337380650 474959850 /nfs/dbraw/zinc/95/98/50/474959850.db2.gz CWEKHVLSOUWFAX-QGZVFWFLSA-N 1 0 333.363 2.883 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327943 474974495 /nfs/dbraw/zinc/97/44/95/474974495.db2.gz UEAOVMBMQMVKGH-LBPRGKRZSA-N 1 0 334.420 2.619 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000273580326 474974438 /nfs/dbraw/zinc/97/44/38/474974438.db2.gz FQIFFJYWOBPRHV-LBPRGKRZSA-N 1 0 333.417 2.770 20 5 EFBDRO C[C@H]1C[C@H](C)CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285335665 474975861 /nfs/dbraw/zinc/97/58/61/474975861.db2.gz OHZZKEBGZUCIEN-GJZGRUSLSA-N 1 0 333.432 2.574 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000325005265 474981182 /nfs/dbraw/zinc/98/11/82/474981182.db2.gz CYWFSXMYISOMJR-ZGRWHYIRSA-N 1 0 329.400 2.599 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)C1 ZINC000292361994 474982968 /nfs/dbraw/zinc/98/29/68/474982968.db2.gz RKQKGQBCQGEKCN-HNNXBMFYSA-N 1 0 327.331 2.728 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341109548 474983318 /nfs/dbraw/zinc/98/33/18/474983318.db2.gz JIOOUBMVQCOEFW-ZIAGYGMSSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000285355114 474985404 /nfs/dbraw/zinc/98/54/04/474985404.db2.gz ABOPNSMAMFVKOB-GXTWGEPZSA-N 1 0 330.388 2.795 20 5 EFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293464335 474992603 /nfs/dbraw/zinc/99/26/03/474992603.db2.gz QMRRRZDGWPPRAT-UHFFFAOYSA-N 1 0 346.387 2.914 20 5 EFBDRO Cc1c(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000261626395 475001189 /nfs/dbraw/zinc/00/11/89/475001189.db2.gz GUHVAVIFGKVRRL-CXAGYDPISA-N 1 0 327.384 2.856 20 5 EFBDRO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+](C)C ZINC000292392834 475001809 /nfs/dbraw/zinc/00/18/09/475001809.db2.gz NRRYONSHUXGCOP-LLVKDONJSA-N 1 0 348.428 2.646 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292398566 475005035 /nfs/dbraw/zinc/00/50/35/475005035.db2.gz SWSYKAANHNHQIU-GOSISDBHSA-N 1 0 331.416 2.886 20 5 EFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326581529 475006552 /nfs/dbraw/zinc/00/65/52/475006552.db2.gz BCBDBZFNJVYDDG-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1sc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261655605 475013263 /nfs/dbraw/zinc/01/32/63/475013263.db2.gz GQUDOZAJYRJCSZ-QWHCGFSZSA-N 1 0 331.397 2.532 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293510781 475014841 /nfs/dbraw/zinc/01/48/41/475014841.db2.gz SZYNYWPPNDZVNN-UKRRQHHQSA-N 1 0 331.416 2.716 20 5 EFBDRO CCC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000285421946 475015365 /nfs/dbraw/zinc/01/53/65/475015365.db2.gz DRZBNPIKAVRQGC-KRWDZBQOSA-N 1 0 335.404 2.781 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261678072 475022464 /nfs/dbraw/zinc/02/24/64/475022464.db2.gz MNNKIVYNPWFJFD-KRWDZBQOSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1c(CNC(=O)c2cccn2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000327911008 475024546 /nfs/dbraw/zinc/02/45/46/475024546.db2.gz YUZQWJWPIFTBJY-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000273725767 475028795 /nfs/dbraw/zinc/02/87/95/475028795.db2.gz HFGVMVWEGSOURA-UHFFFAOYSA-N 1 0 344.415 2.505 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337450234 475029839 /nfs/dbraw/zinc/02/98/39/475029839.db2.gz FFEKOGZITUAZNP-KBPBESRZSA-N 1 0 335.404 2.549 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000261711769 475035440 /nfs/dbraw/zinc/03/54/40/475035440.db2.gz PTDLIFYDKMKAHD-MRXNPFEDSA-N 1 0 325.368 2.520 20 5 EFBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000285749799 475038006 /nfs/dbraw/zinc/03/80/06/475038006.db2.gz QUWBBHUFLQGEBJ-WMLDXEAASA-N 1 0 327.384 2.840 20 5 EFBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000285749803 475039148 /nfs/dbraw/zinc/03/91/48/475039148.db2.gz QUWBBHUFLQGEBJ-YOEHRIQHSA-N 1 0 327.384 2.840 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261735750 475044527 /nfs/dbraw/zinc/04/45/27/475044527.db2.gz NKXKZILBBHBNCF-OAHLLOKOSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292483321 475049095 /nfs/dbraw/zinc/04/90/95/475049095.db2.gz WAWNQSMPPXPPAI-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261784671 475062011 /nfs/dbraw/zinc/06/20/11/475062011.db2.gz LLAQWYSWDYKKHW-CYBMUJFWSA-N 1 0 349.456 2.678 20 5 EFBDRO CN(C)[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912817 475066026 /nfs/dbraw/zinc/06/60/26/475066026.db2.gz IEKCZOHFNSXURE-WMZOPIPTSA-N 1 0 349.500 2.943 20 5 EFBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000273826891 475068894 /nfs/dbraw/zinc/06/88/94/475068894.db2.gz GPRYNARPXHPLHA-ZDUSSCGKSA-N 1 0 337.395 2.564 20 5 EFBDRO C[NH+]1CCN(CCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341469970 475069301 /nfs/dbraw/zinc/06/93/01/475069301.db2.gz NBMUYSJXBJKGQG-UHFFFAOYSA-N 1 0 333.219 2.561 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000339241864 475073432 /nfs/dbraw/zinc/07/34/32/475073432.db2.gz XSGMXRJHKZHZMF-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO O=C(C[NH+](C1CCC1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292550676 475084041 /nfs/dbraw/zinc/08/40/41/475084041.db2.gz YMGOORWVCIRXFU-UHFFFAOYSA-N 1 0 329.400 2.891 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261849864 475084395 /nfs/dbraw/zinc/08/43/95/475084395.db2.gz QJEPAFFZMKKSNQ-GASCZTMLSA-N 1 0 345.443 2.964 20 5 EFBDRO Cn1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000345312411 475085406 /nfs/dbraw/zinc/08/54/06/475085406.db2.gz ZBQYJNJCVMVVKK-INIZCTEOSA-N 1 0 342.399 2.500 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261907323 475109350 /nfs/dbraw/zinc/10/93/50/475109350.db2.gz XCQAEZKWOUOIEW-MCIONIFRSA-N 1 0 349.456 2.533 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273914967 475115616 /nfs/dbraw/zinc/11/56/16/475115616.db2.gz DNRKJFACZIPKLR-UHFFFAOYSA-N 1 0 339.411 2.858 20 5 EFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000609333409 480146710 /nfs/dbraw/zinc/14/67/10/480146710.db2.gz DCRJHFMLXVRPSJ-UHFFFAOYSA-N 1 0 332.360 2.506 20 5 EFBDRO Cn1c(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000609330970 480147119 /nfs/dbraw/zinc/14/71/19/480147119.db2.gz QLJGHAYEKASZFD-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000273944562 475130432 /nfs/dbraw/zinc/13/04/32/475130432.db2.gz KWDZADPIRJTGTL-UHFFFAOYSA-N 1 0 337.395 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](O)C34CCCC4)n2)c1 ZINC000292642294 475130746 /nfs/dbraw/zinc/13/07/46/475130746.db2.gz HLKPDVUQAPGZQZ-CQSZACIVSA-N 1 0 344.371 2.524 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000287415617 475137990 /nfs/dbraw/zinc/13/79/90/475137990.db2.gz DIDBMCMUECBHGY-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCCO ZINC000287431152 475144898 /nfs/dbraw/zinc/14/48/98/475144898.db2.gz SXLOIGQIBBOFSV-HOCLYGCPSA-N 1 0 336.432 2.683 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295975956 475151423 /nfs/dbraw/zinc/15/14/23/475151423.db2.gz JAOMUNXUVIOPJM-CORIIIEPSA-N 1 0 326.418 2.601 20 5 EFBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000273989831 475151491 /nfs/dbraw/zinc/15/14/91/475151491.db2.gz XBHXXVZSBRZGKR-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295986442 475155464 /nfs/dbraw/zinc/15/54/64/475155464.db2.gz LGLSSRXMNLXEFH-HNNXBMFYSA-N 1 0 335.404 2.670 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000296012861 475164386 /nfs/dbraw/zinc/16/43/86/475164386.db2.gz LIVOZHLFZSVURK-CQSZACIVSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296019451 475168115 /nfs/dbraw/zinc/16/81/15/475168115.db2.gz LRQOGPGEFUDXPH-OAHLLOKOSA-N 1 0 349.431 2.715 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000339375907 475172801 /nfs/dbraw/zinc/17/28/01/475172801.db2.gz HULMYGXMCGSNRG-ZDUSSCGKSA-N 1 0 343.358 2.822 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000339385342 475181873 /nfs/dbraw/zinc/18/18/73/475181873.db2.gz NVDDPTYDVJLPFJ-CYBMUJFWSA-N 1 0 342.359 2.876 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296113138 475200417 /nfs/dbraw/zinc/20/04/17/475200417.db2.gz RMPMKOHNAMTBCE-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292810977 475205752 /nfs/dbraw/zinc/20/57/52/475205752.db2.gz OYWAJQUEAPQUNC-UHFFFAOYSA-N 1 0 347.337 2.931 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296135635 475205897 /nfs/dbraw/zinc/20/58/97/475205897.db2.gz JHZXSKHVBNDMFG-XYPHTWIQSA-N 1 0 347.415 2.635 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000296182206 475217684 /nfs/dbraw/zinc/21/76/84/475217684.db2.gz VIFJOIPCEVONLX-AWEZNQCLSA-N 1 0 341.839 2.894 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296191706 475220019 /nfs/dbraw/zinc/22/00/19/475220019.db2.gz UWBIOYAXHWCEHW-CYBMUJFWSA-N 1 0 345.403 2.799 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296209354 475223765 /nfs/dbraw/zinc/22/37/65/475223765.db2.gz NHJVGAYNINARPB-UHFFFAOYSA-N 1 0 347.415 2.502 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000339462919 475230039 /nfs/dbraw/zinc/23/00/39/475230039.db2.gz MQQPKMRIILAGFU-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO CC(=O)NC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347337132 475243248 /nfs/dbraw/zinc/24/32/48/475243248.db2.gz MCIIRPDZLGTNOS-RKCSUWQLSA-N 1 0 331.416 2.846 20 5 EFBDRO CNc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361175401 475243349 /nfs/dbraw/zinc/24/33/49/475243349.db2.gz DZAQZPDDLDOYRC-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386358 480155820 /nfs/dbraw/zinc/15/58/20/480155820.db2.gz QSWSORMMAASPRL-GJZGRUSLSA-N 1 0 348.447 2.693 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000357910458 475253147 /nfs/dbraw/zinc/25/31/47/475253147.db2.gz VAAVOZRDCZKBSA-NSHDSACASA-N 1 0 342.827 2.776 20 5 EFBDRO Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347792 475253902 /nfs/dbraw/zinc/25/39/02/475253902.db2.gz YNYDMBNISSCADZ-WMLDXEAASA-N 1 0 344.371 2.879 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@@H](C)F)CC2)ccc1[N+](=O)[O-] ZINC000352404648 475261712 /nfs/dbraw/zinc/26/17/12/475261712.db2.gz CWOPSHKILNLKOP-CYBMUJFWSA-N 1 0 325.384 2.864 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000345553432 475262229 /nfs/dbraw/zinc/26/22/29/475262229.db2.gz YZEOZFABMJYHMJ-LBPRGKRZSA-N 1 0 337.420 2.762 20 5 EFBDRO CC(=O)N(C)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347357575 475262533 /nfs/dbraw/zinc/26/25/33/475262533.db2.gz JNPRKNONHFGFED-SDNWHVSQSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(=O)N(C)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347357574 475262686 /nfs/dbraw/zinc/26/26/86/475262686.db2.gz JNPRKNONHFGFED-KAMYIIQDSA-N 1 0 331.416 2.941 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000361197755 475262924 /nfs/dbraw/zinc/26/29/24/475262924.db2.gz AHRLJDBZJRTNTA-HOCLYGCPSA-N 1 0 333.432 2.716 20 5 EFBDRO CNc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000361199971 475264551 /nfs/dbraw/zinc/26/45/51/475264551.db2.gz KASYMJPJKPMVDX-AWEZNQCLSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337719077 475268729 /nfs/dbraw/zinc/26/87/29/475268729.db2.gz HZUKRBDFLLXWSF-LBPRGKRZSA-N 1 0 334.397 2.849 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000347367817 475271773 /nfs/dbraw/zinc/27/17/73/475271773.db2.gz MSSFVIMAYXHZCY-QKAYDNCFSA-N 1 0 329.400 2.600 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000296367358 475286092 /nfs/dbraw/zinc/28/60/92/475286092.db2.gz GOIRBYPUUIVEGI-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[NH+](CC)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352432640 475291807 /nfs/dbraw/zinc/29/18/07/475291807.db2.gz UPAWZDZCYZGPSO-UHFFFAOYSA-N 1 0 329.404 2.536 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361259775 475308756 /nfs/dbraw/zinc/30/87/56/475308756.db2.gz NFQDTCGUNUSLGH-CYBMUJFWSA-N 1 0 331.420 2.635 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296422533 475308677 /nfs/dbraw/zinc/30/86/77/475308677.db2.gz JZCDCTKFRBMLIM-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000341806823 475317959 /nfs/dbraw/zinc/31/79/59/475317959.db2.gz BKFUHTWRJUYBPM-GFCCVEGCSA-N 1 0 329.356 2.898 20 5 EFBDRO CCC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488513 475342433 /nfs/dbraw/zinc/34/24/33/475342433.db2.gz QYOVWCFUFDDZMT-GJZGRUSLSA-N 1 0 339.461 2.893 20 5 EFBDRO CS[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000347772880 475342555 /nfs/dbraw/zinc/34/25/55/475342555.db2.gz YLOXCQXHKWPUQF-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000345665669 475348922 /nfs/dbraw/zinc/34/89/22/475348922.db2.gz LGXOVHGTDZPNCD-CYBMUJFWSA-N 1 0 342.399 2.605 20 5 EFBDRO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652508 475365807 /nfs/dbraw/zinc/36/58/07/475365807.db2.gz KKWMNWLJLDXRIK-JKSUJKDBSA-N 1 0 333.388 2.567 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000296563498 475371540 /nfs/dbraw/zinc/37/15/40/475371540.db2.gz PSVGUTHVXWLGIA-HNNXBMFYSA-N 1 0 347.371 2.618 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337848342 475374331 /nfs/dbraw/zinc/37/43/31/475374331.db2.gz ILCVTXSAYJSAAK-BGXJKKHCSA-N 1 0 329.400 2.741 20 5 EFBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000296568575 475375756 /nfs/dbraw/zinc/37/57/56/475375756.db2.gz QHAIZZZQJPXVPX-JTQLQIEISA-N 1 0 333.417 2.613 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c([N+](=O)[O-])c1 ZINC000345708135 475383373 /nfs/dbraw/zinc/38/33/73/475383373.db2.gz IPFGWSWCFXZXQH-RDTXWAMCSA-N 1 0 348.447 2.729 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000358087237 475387594 /nfs/dbraw/zinc/38/75/94/475387594.db2.gz CUWVYGBNKJJIFS-CYBMUJFWSA-N 1 0 346.431 2.780 20 5 EFBDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722527 475391373 /nfs/dbraw/zinc/39/13/73/475391373.db2.gz KGIACPOCAOHDII-PMPSAXMXSA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722525 475391588 /nfs/dbraw/zinc/39/15/88/475391588.db2.gz KGIACPOCAOHDII-OAGGEKHMSA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358094062 475394445 /nfs/dbraw/zinc/39/44/45/475394445.db2.gz MVYTYFPOESNGMY-RYUDHWBXSA-N 1 0 337.395 2.610 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331732657 475396457 /nfs/dbraw/zinc/39/64/57/475396457.db2.gz QTSYPTGBFPJYQV-ZBFHGGJFSA-N 1 0 331.416 2.990 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331732757 475396580 /nfs/dbraw/zinc/39/65/80/475396580.db2.gz QWABGQYASPICOB-MRXNPFEDSA-N 1 0 331.416 2.738 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339674626 475397162 /nfs/dbraw/zinc/39/71/62/475397162.db2.gz CVGVUKVKRBTWIH-CHWSQXEVSA-N 1 0 329.356 2.698 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000296620536 475398282 /nfs/dbraw/zinc/39/82/82/475398282.db2.gz BMXCKDDGWSMALS-LBPRGKRZSA-N 1 0 334.351 2.520 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000361377917 475399471 /nfs/dbraw/zinc/39/94/71/475399471.db2.gz LGANQRWGKZHGSH-LBPRGKRZSA-N 1 0 341.371 2.849 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339675598 475400010 /nfs/dbraw/zinc/40/00/10/475400010.db2.gz DYIYYGVYSNLZCD-AWEZNQCLSA-N 1 0 329.400 2.606 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C2CCCCC2)n1 ZINC000331741937 475400753 /nfs/dbraw/zinc/40/07/53/475400753.db2.gz WIVVIIZCCLKILQ-BZUAXINKSA-N 1 0 336.436 2.806 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296625085 475401557 /nfs/dbraw/zinc/40/15/57/475401557.db2.gz WTUZCPHMMCLTGM-MJBXVCDLSA-N 1 0 334.420 2.698 20 5 EFBDRO CC1(C)C[C@H](N[C@@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631528 475404677 /nfs/dbraw/zinc/40/46/77/475404677.db2.gz BJYMSZAUOGWISG-JKSUJKDBSA-N 1 0 340.383 2.528 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358109822 475407606 /nfs/dbraw/zinc/40/76/06/475407606.db2.gz QUQPNEIIKFASDN-ZDUSSCGKSA-N 1 0 336.436 2.823 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[N@@H+]1C ZINC000345740977 475410357 /nfs/dbraw/zinc/41/03/57/475410357.db2.gz HXTQSOYNRIATNU-CJNGLKHVSA-N 1 0 346.431 2.752 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345750516 475418251 /nfs/dbraw/zinc/41/82/51/475418251.db2.gz CVMFPIDZZGLKPK-MELADBBJSA-N 1 0 334.420 2.780 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345750515 475418294 /nfs/dbraw/zinc/41/82/94/475418294.db2.gz CVMFPIDZZGLKPK-IHRRRGAJSA-N 1 0 334.420 2.780 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000348135908 475418405 /nfs/dbraw/zinc/41/84/05/475418405.db2.gz LWIPDZCOWMZJHK-DGCLKSJQSA-N 1 0 332.360 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000348139399 475421210 /nfs/dbraw/zinc/42/12/10/475421210.db2.gz HXTJECGNNYVJFY-ZIAGYGMSSA-N 1 0 335.404 2.637 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000348141798 475422576 /nfs/dbraw/zinc/42/25/76/475422576.db2.gz MGTZIZLSXYBZKI-UONOGXRCSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[N@@H+]1C ZINC000345763173 475429329 /nfs/dbraw/zinc/42/93/29/475429329.db2.gz XJBLDGLVTDSOAY-DYVFJYSZSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830023 475442902 /nfs/dbraw/zinc/44/29/02/475442902.db2.gz JJVQVFULIFSRBX-CHWSQXEVSA-N 1 0 345.374 2.903 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296720922 475447110 /nfs/dbraw/zinc/44/71/10/475447110.db2.gz LWJJAXYPRMZQTJ-LBPRGKRZSA-N 1 0 338.383 2.990 20 5 EFBDRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726726 475450226 /nfs/dbraw/zinc/45/02/26/475450226.db2.gz NNWNVRRRPJZXAM-LBPRGKRZSA-N 1 0 333.413 2.932 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331937136 475462201 /nfs/dbraw/zinc/46/22/01/475462201.db2.gz XEPLINSELDXYQP-LXZKKBNFSA-N 1 0 346.431 2.624 20 5 EFBDRO COCCSCCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620786 475464308 /nfs/dbraw/zinc/46/43/08/475464308.db2.gz ICYQFMYSMBSYIM-UHFFFAOYSA-N 1 0 326.418 2.559 20 5 EFBDRO COc1ccc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000361469155 475473113 /nfs/dbraw/zinc/47/31/13/475473113.db2.gz LLNVPLJDLFMVAT-OAHLLOKOSA-N 1 0 343.383 2.652 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339758578 475474834 /nfs/dbraw/zinc/47/48/34/475474834.db2.gz MDXHFKQEXBENQF-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331979756 475475944 /nfs/dbraw/zinc/47/59/44/475475944.db2.gz SPVQSCWTGCPFLV-GOEBONIOSA-N 1 0 331.416 2.816 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000331983833 475476821 /nfs/dbraw/zinc/47/68/21/475476821.db2.gz LPBMGRBNLWFSCB-QGZVFWFLSA-N 1 0 331.416 2.918 20 5 EFBDRO C[N@@H+]1CCN(CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000296810272 475487174 /nfs/dbraw/zinc/48/71/74/475487174.db2.gz PYYMPWMTTIEPPN-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000296818877 475489857 /nfs/dbraw/zinc/48/98/57/475489857.db2.gz FVRRTISWMASYOT-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345834990 475492689 /nfs/dbraw/zinc/49/26/89/475492689.db2.gz BZCDSUAGZMJYTF-HZPDHXFCSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000332043184 475493380 /nfs/dbraw/zinc/49/33/80/475493380.db2.gz LUXQZQZKNDPHOC-KNXALSJPSA-N 1 0 335.379 2.580 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000296839925 475499438 /nfs/dbraw/zinc/49/94/38/475499438.db2.gz BTMATYRYPAYTBH-ZIAGYGMSSA-N 1 0 349.387 2.752 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc1[N+](=O)[O-] ZINC000358231727 475512283 /nfs/dbraw/zinc/51/22/83/475512283.db2.gz ASKYEOBLFAVDHI-YUTCNCBUSA-N 1 0 335.404 2.559 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000361520569 475513809 /nfs/dbraw/zinc/51/38/09/475513809.db2.gz UVKKSMFSDWUEAL-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332119856 475520061 /nfs/dbraw/zinc/52/00/61/475520061.db2.gz BXZKPQSMPCEUSM-HNNXBMFYSA-N 1 0 349.456 2.774 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354924366 475524736 /nfs/dbraw/zinc/52/47/36/475524736.db2.gz OGCVAZDZUOCWDD-ZDUSSCGKSA-N 1 0 336.388 2.769 20 5 EFBDRO COC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000361555772 475545193 /nfs/dbraw/zinc/54/51/93/475545193.db2.gz ZVXSLGNQUXIYFK-AWEZNQCLSA-N 1 0 334.420 2.825 20 5 EFBDRO O=C(C[N@H+](CC1CC1)CC1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361558214 475546255 /nfs/dbraw/zinc/54/62/55/475546255.db2.gz VLGGTUAFSMEUBE-UHFFFAOYSA-N 1 0 343.427 2.996 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000296961311 475554927 /nfs/dbraw/zinc/55/49/27/475554927.db2.gz WJCMVDFBNMADIL-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296962260 475555871 /nfs/dbraw/zinc/55/58/71/475555871.db2.gz IAZIOMWYODDSOU-WWTUQBGBSA-N 1 0 346.431 2.889 20 5 EFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000346136941 475562016 /nfs/dbraw/zinc/56/20/16/475562016.db2.gz FHAJADJHRAGAAD-NSHDSACASA-N 1 0 341.386 2.500 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358287110 475562267 /nfs/dbraw/zinc/56/22/67/475562267.db2.gz CJKRPKAHJUUXKL-KRWDZBQOSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@H](C[NH+](C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000346136939 475562423 /nfs/dbraw/zinc/56/24/23/475562423.db2.gz FHAJADJHRAGAAD-LLVKDONJSA-N 1 0 341.386 2.500 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)=O)C1 ZINC000358290295 475564281 /nfs/dbraw/zinc/56/42/81/475564281.db2.gz QVHGMZKPDDZGEK-KGLIPLIRSA-N 1 0 337.445 2.676 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2OCC)cc1[N+](=O)[O-] ZINC000354968419 475567064 /nfs/dbraw/zinc/56/70/64/475567064.db2.gz AIGXEPQBBPYCTB-QEORTHHSSA-N 1 0 338.404 2.838 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000338079527 475570568 /nfs/dbraw/zinc/57/05/68/475570568.db2.gz WSFNSIQJFJJFKB-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346427598 475599752 /nfs/dbraw/zinc/59/97/52/475599752.db2.gz VGVKERQVNGFLRM-NOZJJQNGSA-N 1 0 345.321 2.826 20 5 EFBDRO CC(C)c1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332320513 475599874 /nfs/dbraw/zinc/59/98/74/475599874.db2.gz RFLFLQZZCZOJGR-ROUUACIJSA-N 1 0 333.432 2.623 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000348340242 475605447 /nfs/dbraw/zinc/60/54/47/475605447.db2.gz LFJYAVWTZFQQBS-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000342592925 475616764 /nfs/dbraw/zinc/61/67/64/475616764.db2.gz JMBXWHOKXQPQKH-CHWSQXEVSA-N 1 0 331.416 2.614 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ncc(C)cn2)cc1[N+](=O)[O-] ZINC000358360361 475618371 /nfs/dbraw/zinc/61/83/71/475618371.db2.gz AFWRHHVHWJUOFY-CYBMUJFWSA-N 1 0 330.388 2.985 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355049173 475625667 /nfs/dbraw/zinc/62/56/67/475625667.db2.gz ZEVFUQMGFFFVEW-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342705274 475629373 /nfs/dbraw/zinc/62/93/73/475629373.db2.gz FPEXDJNMASPCJD-LERXQTSPSA-N 1 0 329.356 2.540 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342719024 475630843 /nfs/dbraw/zinc/63/08/43/475630843.db2.gz AZZSIIWOUWNOEC-UHFFFAOYSA-N 1 0 343.358 2.690 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490484 475651488 /nfs/dbraw/zinc/65/14/88/475651488.db2.gz ONZGLPCBJWADQC-UKRRQHHQSA-N 1 0 349.456 2.772 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332505954 475655261 /nfs/dbraw/zinc/65/52/61/475655261.db2.gz IEAZKWMTGUDLGV-CABCVRRESA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342924284 475657642 /nfs/dbraw/zinc/65/76/42/475657642.db2.gz HUOCYDCZVCUATM-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522387 475658157 /nfs/dbraw/zinc/65/81/57/475658157.db2.gz ZSWTUPUGADYXRC-KEYYUXOJSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000297216141 475661534 /nfs/dbraw/zinc/66/15/34/475661534.db2.gz YZKAZTMNAFENOG-PRTUASRFSA-N 1 0 332.404 2.580 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358426488 475669442 /nfs/dbraw/zinc/66/94/42/475669442.db2.gz SXXKERNLQQCXHK-AWEZNQCLSA-N 1 0 336.436 2.857 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585977 475676803 /nfs/dbraw/zinc/67/68/03/475676803.db2.gz IMLIVNFOSLZISA-YPMHNXCESA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585975 475677712 /nfs/dbraw/zinc/67/77/12/475677712.db2.gz IMLIVNFOSLZISA-WCQYABFASA-N 1 0 336.367 2.824 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000348466379 475684975 /nfs/dbraw/zinc/68/49/75/475684975.db2.gz SQAKWUSNGPWCOU-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348471368 475685629 /nfs/dbraw/zinc/68/56/29/475685629.db2.gz UKUGBFYMZJMXFX-BZUAXINKSA-N 1 0 349.456 2.964 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358447837 475686617 /nfs/dbraw/zinc/68/66/17/475686617.db2.gz QZXZJEZDMVBBIO-OAHLLOKOSA-N 1 0 334.420 2.577 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000332639777 475697968 /nfs/dbraw/zinc/69/79/68/475697968.db2.gz RKNTYFIVRIXDCM-KGLIPLIRSA-N 1 0 336.367 2.824 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353147428 475719068 /nfs/dbraw/zinc/71/90/68/475719068.db2.gz YQXSVXLKEORFMY-HFNVYPAOSA-N 1 0 331.416 2.891 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)n1 ZINC000348521120 475721583 /nfs/dbraw/zinc/72/15/83/475721583.db2.gz NJAPYPIXHOXORQ-HOTGVXAUSA-N 1 0 330.388 2.519 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522154 475722035 /nfs/dbraw/zinc/72/20/35/475722035.db2.gz VSSLIXVUNIYFQT-ZYHUDNBSSA-N 1 0 334.294 2.992 20 5 EFBDRO CNC(=O)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000297364493 475725148 /nfs/dbraw/zinc/72/51/48/475725148.db2.gz HYFITQICITVGMD-UHFFFAOYSA-N 1 0 331.397 2.501 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC12CCC[NH+]1CCC2 ZINC000343054772 475727031 /nfs/dbraw/zinc/72/70/31/475727031.db2.gz PNSQQOSSCFVHRI-UHFFFAOYSA-N 1 0 333.388 2.730 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348531972 475731989 /nfs/dbraw/zinc/73/19/89/475731989.db2.gz MXJUWPRMHLQHGA-ZWKOPEQDSA-N 1 0 343.330 2.672 20 5 EFBDRO C[NH+](C)C1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000343060463 475732165 /nfs/dbraw/zinc/73/21/65/475732165.db2.gz SBRLIOBNZAXWFO-UHFFFAOYSA-N 1 0 340.383 2.724 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348534111 475733175 /nfs/dbraw/zinc/73/31/75/475733175.db2.gz OXIKQCBOIQZGFG-GOEBONIOSA-N 1 0 330.388 2.556 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297418978 475750407 /nfs/dbraw/zinc/75/04/07/475750407.db2.gz HCCVJMGUGDZAKJ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000340093034 475752707 /nfs/dbraw/zinc/75/27/07/475752707.db2.gz IFRSTZDLFRWGBA-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358584029 475786515 /nfs/dbraw/zinc/78/65/15/475786515.db2.gz PTLWRXLVPCQYIP-ZIAGYGMSSA-N 1 0 348.447 2.823 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000355281253 475796748 /nfs/dbraw/zinc/79/67/48/475796748.db2.gz GRXXYUYYZOTEFB-OAHLLOKOSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338334933 475798485 /nfs/dbraw/zinc/79/84/85/475798485.db2.gz UCGHKKGJRRQIOF-QLFBSQMISA-N 1 0 333.432 2.857 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544070 475800777 /nfs/dbraw/zinc/80/07/77/475800777.db2.gz JCZOLLYUXZDMGR-DVOMOZLQSA-N 1 0 334.420 2.637 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297554692 475804860 /nfs/dbraw/zinc/80/48/60/475804860.db2.gz KBDQWWKHZWKDGP-LXZKKBNFSA-N 1 0 346.431 2.924 20 5 EFBDRO COCC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000338344323 475807516 /nfs/dbraw/zinc/80/75/16/475807516.db2.gz AOAOGDNNYHFGFS-HNNXBMFYSA-N 1 0 337.420 2.598 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345111 475808739 /nfs/dbraw/zinc/80/87/39/475808739.db2.gz ROSRFLGGRUCCIK-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO CC(C)C[C@H](C)N(C)C(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338351625 475814750 /nfs/dbraw/zinc/81/47/50/475814750.db2.gz NEGOPODNOJNDDL-HNNXBMFYSA-N 1 0 335.448 2.962 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Cl)cn1 ZINC000338364470 475828022 /nfs/dbraw/zinc/82/80/22/475828022.db2.gz ZNWWBYITDBPYFC-UHFFFAOYSA-N 1 0 348.790 2.756 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346763895 475838344 /nfs/dbraw/zinc/83/83/44/475838344.db2.gz FNJWSHRASCPCPN-ZIAGYGMSSA-N 1 0 333.432 2.814 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346769707 475842767 /nfs/dbraw/zinc/84/27/67/475842767.db2.gz KXJAJOJNGKROJG-OLZOCXBDSA-N 1 0 334.420 2.581 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000355341433 475843523 /nfs/dbraw/zinc/84/35/23/475843523.db2.gz JRPJECJLTAESSV-HZSPNIEDSA-N 1 0 335.404 2.635 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358687887 475861075 /nfs/dbraw/zinc/86/10/75/475861075.db2.gz QYYFPGGNTZBYFJ-AWEZNQCLSA-N 1 0 348.447 2.824 20 5 EFBDRO Cc1ncc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346812362 475878691 /nfs/dbraw/zinc/87/86/91/475878691.db2.gz WMBSXFBFBVFNNB-BBRMVZONSA-N 1 0 342.399 2.900 20 5 EFBDRO COc1ccc(-c2ccc(C[N@H+](C)C3CC(O)C3)o2)c([N+](=O)[O-])c1 ZINC000355374258 475882093 /nfs/dbraw/zinc/88/20/93/475882093.db2.gz YDHHPKDVTHBQCK-UHFFFAOYSA-N 1 0 332.356 2.819 20 5 EFBDRO CC(C)c1ccc(C[N@H+](C)C2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000353345481 475889201 /nfs/dbraw/zinc/88/92/01/475889201.db2.gz CIHPLHZIWVBODV-UHFFFAOYSA-N 1 0 335.448 2.607 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830015 475893744 /nfs/dbraw/zinc/89/37/44/475893744.db2.gz PCKDITRQJBWYCS-LERXQTSPSA-N 1 0 341.358 2.755 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343265726 475904261 /nfs/dbraw/zinc/90/42/61/475904261.db2.gz GTXODYKDPDUIMD-KCQAQPDRSA-N 1 0 349.456 2.818 20 5 EFBDRO CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343267461 475905782 /nfs/dbraw/zinc/90/57/82/475905782.db2.gz UZHJYAFYOGRNJY-JTQLQIEISA-N 1 0 328.210 2.888 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358768332 475919481 /nfs/dbraw/zinc/91/94/81/475919481.db2.gz UPFQCMAJGMAXGN-HNNXBMFYSA-N 1 0 349.431 2.906 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000338460186 475925878 /nfs/dbraw/zinc/92/58/78/475925878.db2.gz XXFPOOQLAYUPRN-OLZOCXBDSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000338460194 475926197 /nfs/dbraw/zinc/92/61/97/475926197.db2.gz XXFPOOQLAYUPRN-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000353400510 475938585 /nfs/dbraw/zinc/93/85/85/475938585.db2.gz GLHBXBDGLZFTTB-LLVKDONJSA-N 1 0 327.340 2.777 20 5 EFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021178 475942484 /nfs/dbraw/zinc/94/24/84/475942484.db2.gz YSWTYDQGGGLQCN-NVXWUHKLSA-N 1 0 338.404 2.666 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343318730 475946542 /nfs/dbraw/zinc/94/65/42/475946542.db2.gz IRGFLEPWAYZJRQ-LLVKDONJSA-N 1 0 335.429 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CCCSC2)c(Cl)c1 ZINC000355474372 475969452 /nfs/dbraw/zinc/96/94/52/475969452.db2.gz POPFSAKPYKZGMB-ZDUSSCGKSA-N 1 0 330.837 2.938 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000362062225 475969731 /nfs/dbraw/zinc/96/97/31/475969731.db2.gz SYDKWKJWUCXWCD-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298071148 475973320 /nfs/dbraw/zinc/97/33/20/475973320.db2.gz FACYGYBZSHWSNM-CYBMUJFWSA-N 1 0 328.372 2.802 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000338535919 475991909 /nfs/dbraw/zinc/99/19/09/475991909.db2.gz LAPXWGRVVQORCS-OKILXGFUSA-N 1 0 349.431 2.986 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346972883 476001836 /nfs/dbraw/zinc/00/18/36/476001836.db2.gz NTSQAHFLSHWAEP-WMZOPIPTSA-N 1 0 343.383 2.567 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343392225 476015432 /nfs/dbraw/zinc/01/54/32/476015432.db2.gz TXVYXLJIPMXHJX-GDBMZVCRSA-N 1 0 330.388 2.739 20 5 EFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298205358 476017000 /nfs/dbraw/zinc/01/70/00/476017000.db2.gz CUMHEPWWYQOGJO-UHFFFAOYSA-N 1 0 335.404 2.814 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@H](C)C1 ZINC000362152630 476035454 /nfs/dbraw/zinc/03/54/54/476035454.db2.gz WEQKHGLUJULTSO-ZFWWWQNUSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340442825 476038410 /nfs/dbraw/zinc/03/84/10/476038410.db2.gz MSRNLQDRTZDKNE-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362163219 476042875 /nfs/dbraw/zinc/04/28/75/476042875.db2.gz OOHHIWSEABGPMS-HIFRSBDPSA-N 1 0 349.431 2.979 20 5 EFBDRO CCC(=O)c1ccc(NC[C@H](C)N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000358942437 476058288 /nfs/dbraw/zinc/05/82/88/476058288.db2.gz BDHCKTDHFZVZLQ-AWEZNQCLSA-N 1 0 348.447 2.625 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355755262 476059151 /nfs/dbraw/zinc/05/91/51/476059151.db2.gz ODKAQRNTXIRYCB-SFHVURJKSA-N 1 0 345.374 2.783 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343438777 476065262 /nfs/dbraw/zinc/06/52/62/476065262.db2.gz LOPVKZNEJNOOJE-FZMZJTMJSA-N 1 0 337.445 2.919 20 5 EFBDRO COc1ncccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353551240 476069296 /nfs/dbraw/zinc/06/92/96/476069296.db2.gz UYORTOLHOBWBDN-GJZGRUSLSA-N 1 0 345.403 2.511 20 5 EFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000340530447 476088205 /nfs/dbraw/zinc/08/82/05/476088205.db2.gz ZVINJQQZSRNIER-AWEZNQCLSA-N 1 0 331.420 2.922 20 5 EFBDRO COc1cc(CN2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000347096770 476092444 /nfs/dbraw/zinc/09/24/44/476092444.db2.gz IHWYXTOGQACKCS-UHFFFAOYSA-N 1 0 349.431 2.576 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000343623613 476093875 /nfs/dbraw/zinc/09/38/75/476093875.db2.gz GYQFMOZXVZPNCJ-UHFFFAOYSA-N 1 0 332.791 2.964 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298468817 476103940 /nfs/dbraw/zinc/10/39/40/476103940.db2.gz OSGOEDVUZSVIBP-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000343763613 476110975 /nfs/dbraw/zinc/11/09/75/476110975.db2.gz GWTDYEYYTISNNY-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356597600 476113803 /nfs/dbraw/zinc/11/38/03/476113803.db2.gz NBWXGPZPIVOZOP-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(F)c1 ZINC000350285657 476120744 /nfs/dbraw/zinc/12/07/44/476120744.db2.gz GRZCCBJMINCBKJ-CQSZACIVSA-N 1 0 343.358 2.908 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000359023483 476124190 /nfs/dbraw/zinc/12/41/90/476124190.db2.gz ZOKMYXFRBPUYKS-HIFRSBDPSA-N 1 0 349.431 2.903 20 5 EFBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000362265083 476124816 /nfs/dbraw/zinc/12/48/16/476124816.db2.gz DKECZVIUNKFCRR-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO CCc1nn(C)c(N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000336695465 476125288 /nfs/dbraw/zinc/12/52/88/476125288.db2.gz IJBFLVFNLIUQHP-CYBMUJFWSA-N 1 0 331.420 2.823 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356748272 476126350 /nfs/dbraw/zinc/12/63/50/476126350.db2.gz VJGLPCRVPHJWQM-LBPRGKRZSA-N 1 0 325.434 2.532 20 5 EFBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338714621 476127843 /nfs/dbraw/zinc/12/78/43/476127843.db2.gz UHDJUMUHMVRTHL-LLVKDONJSA-N 1 0 333.413 2.938 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000336828991 476136946 /nfs/dbraw/zinc/13/69/46/476136946.db2.gz BGYNTMACYPULKG-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000359045033 476140558 /nfs/dbraw/zinc/14/05/58/476140558.db2.gz PDJHAJLFCFDHFF-MRXNPFEDSA-N 1 0 344.415 2.866 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343971009 476140751 /nfs/dbraw/zinc/14/07/51/476140751.db2.gz KISNGQRWVJRIBH-GUTXKFCHSA-N 1 0 334.420 2.746 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1CC ZINC000359054676 476150105 /nfs/dbraw/zinc/15/01/05/476150105.db2.gz LRFPKWBXAXQFRH-LBPRGKRZSA-N 1 0 335.433 2.867 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000338751312 476155910 /nfs/dbraw/zinc/15/59/10/476155910.db2.gz AGMLIFOZWOTWNB-CQSZACIVSA-N 1 0 336.779 2.609 20 5 EFBDRO CNc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336881341 476173017 /nfs/dbraw/zinc/17/30/17/476173017.db2.gz TUOPZGRUZHSXLZ-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4CCC[NH2+][C@H]4C3)cs2)c1 ZINC000353671926 476176462 /nfs/dbraw/zinc/17/64/62/476176462.db2.gz MPKABBCLYBFQPO-CJNGLKHVSA-N 1 0 344.440 2.902 20 5 EFBDRO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000340648760 476178934 /nfs/dbraw/zinc/17/89/34/476178934.db2.gz DJIHFXYWOBAJKP-UHFFFAOYSA-N 1 0 327.384 2.926 20 5 EFBDRO CN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000340648750 476179752 /nfs/dbraw/zinc/17/97/52/476179752.db2.gz DFYNIDBEXYUIDN-UHFFFAOYSA-N 1 0 327.384 2.926 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000357051497 476189047 /nfs/dbraw/zinc/18/90/47/476189047.db2.gz JNNWIXQZUZUTFF-LBPRGKRZSA-N 1 0 337.445 2.533 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1 ZINC000344260843 476194546 /nfs/dbraw/zinc/19/45/46/476194546.db2.gz WJBOWWRWEGVUEU-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344263990 476198342 /nfs/dbraw/zinc/19/83/42/476198342.db2.gz OHEHHLIHYSPBGD-UHFFFAOYSA-N 1 0 325.384 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000359114535 476200892 /nfs/dbraw/zinc/20/08/92/476200892.db2.gz IYAASNHRIRCKKL-MRXNPFEDSA-N 1 0 341.411 2.806 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000344273526 476205716 /nfs/dbraw/zinc/20/57/16/476205716.db2.gz KAYUTXBZBLNOOV-OAHLLOKOSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)s1 ZINC000353718748 476216010 /nfs/dbraw/zinc/21/60/10/476216010.db2.gz ZNTGIGYHHQFBBE-CHWSQXEVSA-N 1 0 348.424 2.953 20 5 EFBDRO CCCCNC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362391856 476217682 /nfs/dbraw/zinc/21/76/82/476217682.db2.gz UIUDSIBYNDVVLU-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000357086067 476220274 /nfs/dbraw/zinc/22/02/74/476220274.db2.gz RJVQVXWMEHMESO-CABCVRRESA-N 1 0 327.384 2.896 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000359326461 476223518 /nfs/dbraw/zinc/22/35/18/476223518.db2.gz YDXIAOPPUYUUII-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000357095882 476227687 /nfs/dbraw/zinc/22/76/87/476227687.db2.gz AGPVHNLCUJRYKA-UHFFFAOYSA-N 1 0 334.420 2.585 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000353738840 476231378 /nfs/dbraw/zinc/23/13/78/476231378.db2.gz OGLKIHJBKMWYSW-UHFFFAOYSA-N 1 0 344.367 2.745 20 5 EFBDRO CNc1c(C(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000357103134 476233722 /nfs/dbraw/zinc/23/37/22/476233722.db2.gz TZWAGMAPTNIDJR-UHFFFAOYSA-N 1 0 334.420 2.632 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347295663 476238478 /nfs/dbraw/zinc/23/84/78/476238478.db2.gz YQUDKAUUMBIIFK-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347296322 476238929 /nfs/dbraw/zinc/23/89/29/476238929.db2.gz ZTWOXGJFTGZZID-GFCCVEGCSA-N 1 0 338.383 2.833 20 5 EFBDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303733084 476247125 /nfs/dbraw/zinc/24/71/25/476247125.db2.gz ZXDOBFSXQGHOMC-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353754314 476247253 /nfs/dbraw/zinc/24/72/53/476247253.db2.gz ARESFWGNBRJNDW-CYBMUJFWSA-N 1 0 334.372 2.593 20 5 EFBDRO COc1cccc(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000357123283 476247304 /nfs/dbraw/zinc/24/73/04/476247304.db2.gz OTWFHARQHSWBJJ-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312732 476250541 /nfs/dbraw/zinc/25/05/41/476250541.db2.gz DLNZDWBMYPDFOC-WMLDXEAASA-N 1 0 344.371 2.879 20 5 EFBDRO Cc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312738 476251418 /nfs/dbraw/zinc/25/14/18/476251418.db2.gz DLNZDWBMYPDFOC-YOEHRIQHSA-N 1 0 344.371 2.879 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313906 476252618 /nfs/dbraw/zinc/25/26/18/476252618.db2.gz DQTZULPAONJTGI-CZUORRHYSA-N 1 0 330.344 2.571 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353768245 476259067 /nfs/dbraw/zinc/25/90/67/476259067.db2.gz NQXWBIPDLGFUJF-JSGCOSHPSA-N 1 0 336.388 2.815 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000359783424 476263063 /nfs/dbraw/zinc/26/30/63/476263063.db2.gz HRWAMJSBQKGCFD-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350617152 476267203 /nfs/dbraw/zinc/26/72/03/476267203.db2.gz ANDMULZPGPKZFS-UHFFFAOYSA-N 1 0 339.411 2.713 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000304210704 476269042 /nfs/dbraw/zinc/26/90/42/476269042.db2.gz DRJODPSHTBXCTJ-MRXNPFEDSA-N 1 0 334.372 2.970 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304287911 476275442 /nfs/dbraw/zinc/27/54/42/476275442.db2.gz IRALTBSGUHEERL-GUYCJALGSA-N 1 0 344.415 2.636 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038726 476285657 /nfs/dbraw/zinc/28/56/57/476285657.db2.gz ICTWJTSLXBMIKD-VNQPRFMTSA-N 1 0 346.431 2.528 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000360059899 476287830 /nfs/dbraw/zinc/28/78/30/476287830.db2.gz RALJXCUOBPWOPO-RISCZKNCSA-N 1 0 330.388 2.925 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353965975 476339766 /nfs/dbraw/zinc/33/97/66/476339766.db2.gz KGSHTJUGWIDVNY-AWEZNQCLSA-N 1 0 332.404 2.525 20 5 EFBDRO CCOc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000362667903 476345957 /nfs/dbraw/zinc/34/59/57/476345957.db2.gz SHFTWMOJFPETSA-CQSZACIVSA-N 1 0 349.431 2.683 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000357363177 476346398 /nfs/dbraw/zinc/34/63/98/476346398.db2.gz OJQPLNLBKRWUDD-LBPRGKRZSA-N 1 0 325.796 2.521 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000362677255 476348056 /nfs/dbraw/zinc/34/80/56/476348056.db2.gz XLXJKBSNVUCTGF-WMLDXEAASA-N 1 0 327.388 2.514 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000354015352 476365870 /nfs/dbraw/zinc/36/58/70/476365870.db2.gz RFRAULUZMZYGEU-CYBMUJFWSA-N 1 0 331.416 2.852 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362721754 476367799 /nfs/dbraw/zinc/36/77/99/476367799.db2.gz CGGBCJIQMKYUQM-HNNXBMFYSA-N 1 0 341.367 2.520 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000354040882 476385388 /nfs/dbraw/zinc/38/53/88/476385388.db2.gz PDANIFNFCHFARM-IVZVJUQRSA-N 1 0 332.400 2.878 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000362773602 476401011 /nfs/dbraw/zinc/40/10/11/476401011.db2.gz FPKJRBJQGYWPSJ-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362850432 476440087 /nfs/dbraw/zinc/44/00/87/476440087.db2.gz LARAAJCWFHJBHT-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C(F)(F)F ZINC000363622880 476464505 /nfs/dbraw/zinc/46/45/05/476464505.db2.gz CVXVXFLVYMYHPV-NEPJUHHUSA-N 1 0 345.321 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000363622882 476465049 /nfs/dbraw/zinc/46/50/49/476465049.db2.gz CVXVXFLVYMYHPV-RYUDHWBXSA-N 1 0 345.321 2.889 20 5 EFBDRO Cc1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cccc1[N+](=O)[O-] ZINC000369661512 476465572 /nfs/dbraw/zinc/46/55/72/476465572.db2.gz BYPQRFQCQNLFGS-UHFFFAOYSA-N 1 0 345.359 2.845 20 5 EFBDRO COc1cccc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369681298 476476214 /nfs/dbraw/zinc/47/62/14/476476214.db2.gz KCKDCFCKTWPSBV-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363667990 476485559 /nfs/dbraw/zinc/48/55/59/476485559.db2.gz ATGNIDJKDPQESF-XQQFMLRXSA-N 1 0 335.429 2.516 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000363670297 476487088 /nfs/dbraw/zinc/48/70/88/476487088.db2.gz JDWPRIAINZGBHF-GDLCADMTSA-N 1 0 335.429 2.516 20 5 EFBDRO Cc1cc(NCCCN2CCCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360934483 476487424 /nfs/dbraw/zinc/48/74/24/476487424.db2.gz KQJAPIASSNMWDS-UHFFFAOYSA-N 1 0 342.399 2.688 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000360962106 476507715 /nfs/dbraw/zinc/50/77/15/476507715.db2.gz XABRQNACUGHJQW-GUTXKFCHSA-N 1 0 335.452 2.961 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363027140 476534267 /nfs/dbraw/zinc/53/42/67/476534267.db2.gz UVGYGFGZSZHBRF-RDJZCZTQSA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1c(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cccc1[N+](=O)[O-] ZINC000357685511 476537396 /nfs/dbraw/zinc/53/73/96/476537396.db2.gz FCJOUUVOVXZCPJ-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000374816440 476540780 /nfs/dbraw/zinc/54/07/80/476540780.db2.gz SABQTEFYQLVFLV-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000361016523 476545923 /nfs/dbraw/zinc/54/59/23/476545923.db2.gz ZIYAMDSXHNAYKH-IRXDYDNUSA-N 1 0 349.456 2.813 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000363081859 476553573 /nfs/dbraw/zinc/55/35/73/476553573.db2.gz OUOUISRUJIHIQU-UHFFFAOYSA-N 1 0 347.346 2.721 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363108118 476563211 /nfs/dbraw/zinc/56/32/11/476563211.db2.gz RFUTXXPEJMRHRB-GJZGRUSLSA-N 1 0 344.415 2.526 20 5 EFBDRO CCc1nn(C)c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000361044969 476563498 /nfs/dbraw/zinc/56/34/98/476563498.db2.gz KARVJZKHFUKLTO-CHWSQXEVSA-N 1 0 335.452 2.956 20 5 EFBDRO O=[N+]([O-])c1cccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000361054526 476568569 /nfs/dbraw/zinc/56/85/69/476568569.db2.gz UIIAOACGKHVBGE-SFHVURJKSA-N 1 0 327.384 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000361053934 476568708 /nfs/dbraw/zinc/56/87/08/476568708.db2.gz SIMYOAZZWXIWKH-GOSISDBHSA-N 1 0 327.384 2.774 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccccc1F ZINC000361063825 476578027 /nfs/dbraw/zinc/57/80/27/476578027.db2.gz WCJJMIMLCWVRAL-UHFFFAOYSA-N 1 0 349.410 2.827 20 5 EFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361066822 476578930 /nfs/dbraw/zinc/57/89/30/476578930.db2.gz PVAHRXKBRAIUJV-HIFRSBDPSA-N 1 0 341.415 2.677 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000357755986 476581416 /nfs/dbraw/zinc/58/14/16/476581416.db2.gz BDCSWLATDMEDQN-MRXNPFEDSA-N 1 0 332.356 2.724 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000369903268 476581476 /nfs/dbraw/zinc/58/14/76/476581476.db2.gz WALBRZNGWUMMMZ-CQSZACIVSA-N 1 0 349.406 2.708 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374916803 476593096 /nfs/dbraw/zinc/59/30/96/476593096.db2.gz PSVYAQXTUKIVEP-WMZOPIPTSA-N 1 0 346.475 2.676 20 5 EFBDRO CC1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000357776494 476596444 /nfs/dbraw/zinc/59/64/44/476596444.db2.gz WCDDLPBTCSGBLV-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000357789364 476605616 /nfs/dbraw/zinc/60/56/16/476605616.db2.gz XCUPYJFGHJXJSK-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000357789367 476606200 /nfs/dbraw/zinc/60/62/00/476606200.db2.gz XCUPYJFGHJXJSK-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cncc(F)c1 ZINC000361119704 476615490 /nfs/dbraw/zinc/61/54/90/476615490.db2.gz LVFAGOWIMOKXSO-ZBEGNZNMSA-N 1 0 344.346 2.585 20 5 EFBDRO CNc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361121415 476616885 /nfs/dbraw/zinc/61/68/85/476616885.db2.gz GMQRKXMUJWQZMR-UHFFFAOYSA-N 1 0 334.420 2.581 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354396730 476635078 /nfs/dbraw/zinc/63/50/78/476635078.db2.gz JQZBSIXFWVOSNI-LSDHHAIUSA-N 1 0 349.431 2.695 20 5 EFBDRO C[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000352326366 476637815 /nfs/dbraw/zinc/63/78/15/476637815.db2.gz GAOZTAOIZHQHRU-IUODEOHRSA-N 1 0 345.399 2.595 20 5 EFBDRO COc1cccc(C2=CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000370047461 476647185 /nfs/dbraw/zinc/64/71/85/476647185.db2.gz YBWGBLDJSSDVNJ-UHFFFAOYSA-N 1 0 328.372 2.626 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000354443194 476666236 /nfs/dbraw/zinc/66/62/36/476666236.db2.gz WTUMRVVBMLPUAV-OCCSQVGLSA-N 1 0 335.404 2.548 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000354498686 476688106 /nfs/dbraw/zinc/68/81/06/476688106.db2.gz OEVMBBPAEUXSMT-LKIHTYOGSA-N 1 0 346.427 2.765 20 5 EFBDRO CO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451869403 476690673 /nfs/dbraw/zinc/69/06/73/476690673.db2.gz RHGUCXFLGHDTPI-CVEARBPZSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429834997 476700720 /nfs/dbraw/zinc/70/07/20/476700720.db2.gz YLYLXBHNYCBUNJ-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000422628952 476723349 /nfs/dbraw/zinc/72/33/49/476723349.db2.gz CVMKQVUTVDTOHY-GJZGRUSLSA-N 1 0 331.416 2.673 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000429972725 476727481 /nfs/dbraw/zinc/72/74/81/476727481.db2.gz MIGDFPWYVDPSPQ-GJZGRUSLSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000380978466 476736753 /nfs/dbraw/zinc/73/67/53/476736753.db2.gz YXURUMHLAKACAC-QWRGUYRKSA-N 1 0 340.221 2.711 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422710814 476738425 /nfs/dbraw/zinc/73/84/25/476738425.db2.gz GDJALHZTVROAEM-DYVFJYSZSA-N 1 0 329.400 2.652 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382459609 476743267 /nfs/dbraw/zinc/74/32/67/476743267.db2.gz UEPMFLWSKKYFQF-DTWKUNHWSA-N 1 0 329.198 2.743 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422760601 476764375 /nfs/dbraw/zinc/76/43/75/476764375.db2.gz QINAABLQLXBOBC-VXGBXAGGSA-N 1 0 337.445 2.825 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000413860027 476767764 /nfs/dbraw/zinc/76/77/64/476767764.db2.gz LMWXQIWKGYOTSV-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452008394 476773207 /nfs/dbraw/zinc/77/32/07/476773207.db2.gz OWJJGMXTFBXJBG-SNVBAGLBSA-N 1 0 335.360 2.525 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430220324 476784815 /nfs/dbraw/zinc/78/48/15/476784815.db2.gz PKDCLGLINBUNPU-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000445872122 476785936 /nfs/dbraw/zinc/78/59/36/476785936.db2.gz RFWUKQKHAHKHND-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1c(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000422828023 476797760 /nfs/dbraw/zinc/79/77/60/476797760.db2.gz AMLKYYXNZOFPSH-UHFFFAOYSA-N 1 0 325.368 2.730 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000422840853 476805464 /nfs/dbraw/zinc/80/54/64/476805464.db2.gz CEXNFIXAGPTABP-MWLCHTKSSA-N 1 0 343.836 2.536 20 5 EFBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC000391594125 476814121 /nfs/dbraw/zinc/81/41/21/476814121.db2.gz BXNKMIPLYORDJQ-UHFFFAOYSA-N 1 0 328.328 2.904 20 5 EFBDRO COc1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1C ZINC000422888708 476829590 /nfs/dbraw/zinc/82/95/90/476829590.db2.gz NNYQAISFSQLNAN-GFCCVEGCSA-N 1 0 343.383 2.862 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422893145 476830939 /nfs/dbraw/zinc/83/09/39/476830939.db2.gz OZZZQGBBHTYOQE-NSHDSACASA-N 1 0 343.836 2.551 20 5 EFBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430434530 476831694 /nfs/dbraw/zinc/83/16/94/476831694.db2.gz DJHJDGVGYKPGKW-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000393975268 476836749 /nfs/dbraw/zinc/83/67/49/476836749.db2.gz UZKOICXTVCANIL-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452121328 476838834 /nfs/dbraw/zinc/83/88/34/476838834.db2.gz SOPZSINPMZCOPI-OAHLLOKOSA-N 1 0 345.403 2.559 20 5 EFBDRO CSc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457045508 476843801 /nfs/dbraw/zinc/84/38/01/476843801.db2.gz YMSYUBBCRHWNOX-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO COc1cc(CN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430543284 476850118 /nfs/dbraw/zinc/85/01/18/476850118.db2.gz MBOLUAXDAGHRLA-UHFFFAOYSA-N 1 0 347.362 2.622 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949115 476861149 /nfs/dbraw/zinc/86/11/49/476861149.db2.gz SWBRSXSVCVNUJG-APWZRJJASA-N 1 0 339.395 2.940 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000457082197 476863337 /nfs/dbraw/zinc/86/33/37/476863337.db2.gz WCLRPIFZXOMBSX-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000452169202 476863946 /nfs/dbraw/zinc/86/39/46/476863946.db2.gz FIRCZXYYXGSKLI-CQSZACIVSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452173549 476869542 /nfs/dbraw/zinc/86/95/42/476869542.db2.gz NEMXEGIBDQCWKP-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000457104815 476877170 /nfs/dbraw/zinc/87/71/70/476877170.db2.gz BXYOZYCUGAPJTB-AWEZNQCLSA-N 1 0 339.823 2.732 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000457112368 476882822 /nfs/dbraw/zinc/88/28/22/476882822.db2.gz JESMOTAYHDOBIJ-ZDUSSCGKSA-N 1 0 330.388 2.631 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000457114974 476884724 /nfs/dbraw/zinc/88/47/24/476884724.db2.gz KMMSCPIJFBRKGQ-AWEZNQCLSA-N 1 0 331.372 2.896 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000430633764 476885540 /nfs/dbraw/zinc/88/55/40/476885540.db2.gz QDOZYYZDTAAWED-OAHLLOKOSA-N 1 0 335.404 2.502 20 5 EFBDRO C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947069 476895014 /nfs/dbraw/zinc/89/50/14/476895014.db2.gz KJJWGODSZODPPM-AAEUAGOBSA-N 1 0 332.429 2.948 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423058149 476910084 /nfs/dbraw/zinc/91/00/84/476910084.db2.gz BKGIFNPXIJDRKK-OAHLLOKOSA-N 1 0 335.404 2.517 20 5 EFBDRO C[N@H+](CCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000457169833 476911301 /nfs/dbraw/zinc/91/13/01/476911301.db2.gz PMHRBLJLMPYCMB-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404268367 476915822 /nfs/dbraw/zinc/91/58/22/476915822.db2.gz IYCKXJXORZQQCH-MFKMUULPSA-N 1 0 325.796 2.838 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)C1CC1 ZINC000370661432 476921502 /nfs/dbraw/zinc/92/15/02/476921502.db2.gz FXYVEGXEXZIOST-HZPDHXFCSA-N 1 0 326.400 2.786 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000457202189 476923253 /nfs/dbraw/zinc/92/32/53/476923253.db2.gz NEMFCRBSRUAKSC-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000457210356 476929508 /nfs/dbraw/zinc/92/95/08/476929508.db2.gz VGWKFQWLFSQJAQ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415506778 476932363 /nfs/dbraw/zinc/93/23/63/476932363.db2.gz RYWNJSLPOMEKMU-XJKSGUPXSA-N 1 0 332.404 2.981 20 5 EFBDRO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000446991805 476941540 /nfs/dbraw/zinc/94/15/40/476941540.db2.gz RBUWXYLSZGRZQB-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC000408221804 476943765 /nfs/dbraw/zinc/94/37/65/476943765.db2.gz LMDFDJUSDGKPJN-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415656849 476949144 /nfs/dbraw/zinc/94/91/44/476949144.db2.gz LTXJGXARGBIPSJ-VXGBXAGGSA-N 1 0 336.392 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415662288 476950267 /nfs/dbraw/zinc/95/02/67/476950267.db2.gz RHFIQSMRHXGJLO-AAEUAGOBSA-N 1 0 336.392 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415662199 476950649 /nfs/dbraw/zinc/95/06/49/476950649.db2.gz RBNKYFPDDGEBOT-ZDUSSCGKSA-N 1 0 338.408 2.831 20 5 EFBDRO COc1ccc(OCCN2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000430966301 476952504 /nfs/dbraw/zinc/95/25/04/476952504.db2.gz NEESJHDYULMHHV-UHFFFAOYSA-N 1 0 343.383 2.592 20 5 EFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423188202 476959082 /nfs/dbraw/zinc/95/90/82/476959082.db2.gz PUJINQVNHNFEII-QGZVFWFLSA-N 1 0 331.416 2.777 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNCc1cccnc1 ZINC000423194550 476960216 /nfs/dbraw/zinc/96/02/16/476960216.db2.gz YYUOGMFMOXLFMU-OAHLLOKOSA-N 1 0 328.416 2.690 20 5 EFBDRO COc1ccc(OCCN2CC[NH2+]CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000431089152 476976921 /nfs/dbraw/zinc/97/69/21/476976921.db2.gz ZGMANMXOEABBBP-UHFFFAOYSA-N 1 0 349.431 2.590 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262596 476978317 /nfs/dbraw/zinc/97/83/17/476978317.db2.gz MVCBVYMADURQQF-SUMWQHHRSA-N 1 0 348.447 2.809 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(O)cc2)n1 ZINC000447528818 477004207 /nfs/dbraw/zinc/00/42/07/477004207.db2.gz KHGIBNACSCDQOO-HZPDHXFCSA-N 1 0 330.388 2.813 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000375841712 477041488 /nfs/dbraw/zinc/04/14/88/477041488.db2.gz TYLHXTPMQNSDCD-YQQAZPJKSA-N 1 0 344.415 2.769 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000423490578 477047745 /nfs/dbraw/zinc/04/77/45/477047745.db2.gz IEJARGAHGXDSND-UHFFFAOYSA-N 1 0 331.416 2.934 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423507397 477053770 /nfs/dbraw/zinc/05/37/70/477053770.db2.gz QAHZQERSNRRZMR-VHSXEESVSA-N 1 0 343.836 2.549 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431576088 477054851 /nfs/dbraw/zinc/05/48/51/477054851.db2.gz SMGJAWFLGMDVPD-ZFWWWQNUSA-N 1 0 349.431 2.519 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1CC[NH+](C)CC1 ZINC000447810337 477062171 /nfs/dbraw/zinc/06/21/71/477062171.db2.gz IGOCTSSFESMWRC-UHFFFAOYSA-N 1 0 341.795 2.789 20 5 EFBDRO Cc1c(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000447812722 477063324 /nfs/dbraw/zinc/06/33/24/477063324.db2.gz SKMBAKLHKKEITQ-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447810572 477063414 /nfs/dbraw/zinc/06/34/14/477063414.db2.gz JQYUQKQAFWEBDD-ZJUUUORDSA-N 1 0 341.795 2.929 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+](C)C(C)C ZINC000447811131 477063486 /nfs/dbraw/zinc/06/34/86/477063486.db2.gz CUMXUAUZWYEPIJ-UHFFFAOYSA-N 1 0 329.784 2.787 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366599922 477089616 /nfs/dbraw/zinc/08/96/16/477089616.db2.gz XABOTDIGIJJKGC-KRWDZBQOSA-N 1 0 332.404 2.771 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423643960 477097437 /nfs/dbraw/zinc/09/74/37/477097437.db2.gz NOZVWSRJXHZIEO-MRXNPFEDSA-N 1 0 345.443 2.982 20 5 EFBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833888 477101266 /nfs/dbraw/zinc/10/12/66/477101266.db2.gz BJANNKGWLAVXRA-QAPCUYQASA-N 1 0 343.427 2.928 20 5 EFBDRO Cc1cc(OCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431834365 477104039 /nfs/dbraw/zinc/10/40/39/477104039.db2.gz RFCJERZFUANXLS-UKRRQHHQSA-N 1 0 349.431 2.519 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1C[NH+](C2CCCCC2)C1 ZINC000457607881 477105435 /nfs/dbraw/zinc/10/54/35/477105435.db2.gz IIDAZVJYMXKLOC-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000423675236 477106521 /nfs/dbraw/zinc/10/65/21/477106521.db2.gz IGKNCONHFHZZRK-BETUJISGSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000423691698 477110151 /nfs/dbraw/zinc/11/01/51/477110151.db2.gz PTAZMOIOERDHHG-NSHDSACASA-N 1 0 341.386 2.678 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000423700129 477114472 /nfs/dbraw/zinc/11/44/72/477114472.db2.gz SSOOLSLQYQSBPX-NSHDSACASA-N 1 0 325.434 2.954 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366654792 477117357 /nfs/dbraw/zinc/11/73/57/477117357.db2.gz MKAIVYKKRGHFPO-GJZGRUSLSA-N 1 0 347.415 2.590 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723139 477122173 /nfs/dbraw/zinc/12/21/73/477122173.db2.gz LDCKPRGPAUCCBK-XJKSGUPXSA-N 1 0 331.416 2.993 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723119 477122995 /nfs/dbraw/zinc/12/29/95/477122995.db2.gz LDCKPRGPAUCCBK-BBRMVZONSA-N 1 0 331.416 2.993 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411130402 477123439 /nfs/dbraw/zinc/12/34/39/477123439.db2.gz WKHVFJQJEKDPKJ-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423736307 477127156 /nfs/dbraw/zinc/12/71/56/477127156.db2.gz FIOFDEVDKPIQJF-ONGXEEELSA-N 1 0 343.836 2.584 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000411164095 477134602 /nfs/dbraw/zinc/13/46/02/477134602.db2.gz LNVFHZFAXYFFHE-UHFFFAOYSA-N 1 0 347.371 2.665 20 5 EFBDRO CN(C)c1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376034635 477142672 /nfs/dbraw/zinc/14/26/72/477142672.db2.gz LROFVLFZLIZNRQ-UHFFFAOYSA-N 1 0 329.404 2.694 20 5 EFBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453238098 477195274 /nfs/dbraw/zinc/19/52/74/477195274.db2.gz NJXPZYXOWCELFH-GWCFXTLKSA-N 1 0 343.387 2.668 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411372201 477208768 /nfs/dbraw/zinc/20/87/68/477208768.db2.gz BNMFKKATJSOKRJ-LBPRGKRZSA-N 1 0 325.434 2.997 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453356662 477212545 /nfs/dbraw/zinc/21/25/45/477212545.db2.gz NDHCVXPYMDHMFM-AAJLLMFJSA-N 1 0 334.416 2.700 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411387973 477214216 /nfs/dbraw/zinc/21/42/16/477214216.db2.gz SNMSYPMVZZHOCQ-CYBMUJFWSA-N 1 0 347.415 2.596 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453384027 477220036 /nfs/dbraw/zinc/22/00/36/477220036.db2.gz TUAOSJGWACWYNS-RDTXWAMCSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453394867 477221274 /nfs/dbraw/zinc/22/12/74/477221274.db2.gz JGNTWSYBPIWRLA-BJJXKVORSA-N 1 0 330.388 2.899 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376205877 477227425 /nfs/dbraw/zinc/22/74/25/477227425.db2.gz ULIYWCDGRPXVFF-ZFWWWQNUSA-N 1 0 347.415 2.835 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843697 477227764 /nfs/dbraw/zinc/22/77/64/477227764.db2.gz CGVNJLXXFZQYOL-HIFRSBDPSA-N 1 0 334.420 2.782 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000376219166 477235037 /nfs/dbraw/zinc/23/50/37/477235037.db2.gz MQHRVSOLARZSCY-LBPRGKRZSA-N 1 0 348.403 2.514 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446943 477237632 /nfs/dbraw/zinc/23/76/32/477237632.db2.gz OWAUJAFDXDUREG-QGZVFWFLSA-N 1 0 343.383 2.637 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000423986125 477247484 /nfs/dbraw/zinc/24/74/84/477247484.db2.gz VSICQAXUFBFCKN-QGZVFWFLSA-N 1 0 327.384 2.895 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424050363 477274886 /nfs/dbraw/zinc/27/48/86/477274886.db2.gz CQENNHMNEKTNSP-JHJVBQTASA-N 1 0 337.445 2.519 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424055156 477276075 /nfs/dbraw/zinc/27/60/75/477276075.db2.gz QWMKQAJSDCDJCE-MDZLAQPJSA-N 1 0 337.445 2.762 20 5 EFBDRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000432926373 477285981 /nfs/dbraw/zinc/28/59/81/477285981.db2.gz GBHXYIIUERDBHB-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000458162202 477296420 /nfs/dbraw/zinc/29/64/20/477296420.db2.gz HWXGNPHZRBPGST-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000458194413 477315367 /nfs/dbraw/zinc/31/53/67/477315367.db2.gz ALPZQMFHAJXUJI-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000458205066 477317759 /nfs/dbraw/zinc/31/77/59/477317759.db2.gz KYOVDEZOGJOWCJ-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO Cc1ncc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000433238799 477319053 /nfs/dbraw/zinc/31/90/53/477319053.db2.gz CFWYYJXZTIBXEN-OAHLLOKOSA-N 1 0 328.372 2.911 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673778 477321770 /nfs/dbraw/zinc/32/17/70/477321770.db2.gz NEZNJAUKVUVJMY-XJKSGUPXSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000411697700 477332903 /nfs/dbraw/zinc/33/29/03/477332903.db2.gz SEHYXBJEUQZPMT-FHLIZLRMSA-N 1 0 345.443 2.935 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000376448819 477340017 /nfs/dbraw/zinc/34/00/17/477340017.db2.gz KJYDVZBQTHEQQP-KCEHYLLSSA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458322810 477351197 /nfs/dbraw/zinc/35/11/97/477351197.db2.gz RMTAXQOLOCVDNH-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000424296821 477362395 /nfs/dbraw/zinc/36/23/95/477362395.db2.gz PKQHBBXSTKBAHU-INIZCTEOSA-N 1 0 340.445 2.777 20 5 EFBDRO COc1ccnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000424307664 477365090 /nfs/dbraw/zinc/36/50/90/477365090.db2.gz MJNMGPFCSNYKBC-CQSZACIVSA-N 1 0 328.372 2.504 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000411786370 477367686 /nfs/dbraw/zinc/36/76/86/477367686.db2.gz CUHWEWRLGIBZGT-CYBMUJFWSA-N 1 0 337.420 2.652 20 5 EFBDRO COc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1[N+](=O)[O-] ZINC000411823264 477382118 /nfs/dbraw/zinc/38/21/18/477382118.db2.gz COQMJQNAKCCZJP-UHFFFAOYSA-N 1 0 328.372 2.773 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000411822708 477382443 /nfs/dbraw/zinc/38/24/43/477382443.db2.gz CBEGMYUCLHBYEI-UHFFFAOYSA-N 1 0 328.372 2.643 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000376549995 477395023 /nfs/dbraw/zinc/39/50/23/477395023.db2.gz BUQAZOWAZIGSPF-CYBMUJFWSA-N 1 0 337.807 2.693 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000424412906 477396725 /nfs/dbraw/zinc/39/67/25/477396725.db2.gz DXBNDOCZBBATJB-NXEZZACHSA-N 1 0 344.318 2.588 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000458421741 477407284 /nfs/dbraw/zinc/40/72/84/477407284.db2.gz LLYNDLGIAFWUCB-UHFFFAOYSA-N 1 0 336.436 2.557 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449057083 477415561 /nfs/dbraw/zinc/41/55/61/477415561.db2.gz AVEGUYNYDANJDB-AEFFLSMTSA-N 1 0 349.475 2.862 20 5 EFBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)C1 ZINC000412343204 477417884 /nfs/dbraw/zinc/41/78/84/477417884.db2.gz VQUFAVMCXMLHRV-ZDUSSCGKSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412395992 477421660 /nfs/dbraw/zinc/42/16/60/477421660.db2.gz ICCHSNITKHTUAR-HYVNUMGLSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412395991 477421927 /nfs/dbraw/zinc/42/19/27/477421927.db2.gz ICCHSNITKHTUAR-BHYGNILZSA-N 1 0 331.416 2.641 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367285994 477432831 /nfs/dbraw/zinc/43/28/31/477432831.db2.gz HYLJTZMXBARWSZ-OAHLLOKOSA-N 1 0 331.416 2.966 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1cccs1 ZINC000449091657 477433965 /nfs/dbraw/zinc/43/39/65/477433965.db2.gz QYWVLDAUGVHMAE-GFCCVEGCSA-N 1 0 333.413 2.607 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449125109 477449901 /nfs/dbraw/zinc/44/99/01/477449901.db2.gz IHFNNVWBNKOEPD-HIFRSBDPSA-N 1 0 343.431 2.845 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1OCCO ZINC000449166824 477466928 /nfs/dbraw/zinc/46/69/28/477466928.db2.gz GJCJYAJPVWPXMK-AWEZNQCLSA-N 1 0 330.384 2.687 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1OCCO ZINC000449166825 477467332 /nfs/dbraw/zinc/46/73/32/477467332.db2.gz GJCJYAJPVWPXMK-CQSZACIVSA-N 1 0 330.384 2.687 20 5 EFBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418348050 477470623 /nfs/dbraw/zinc/47/06/23/477470623.db2.gz QYSNGVNZBPRQLI-KBPBESRZSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000449175848 477471580 /nfs/dbraw/zinc/47/15/80/477471580.db2.gz LFDRHRADKDFNAY-AWEZNQCLSA-N 1 0 333.432 2.907 20 5 EFBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000413029199 477477198 /nfs/dbraw/zinc/47/71/98/477477198.db2.gz RLEKVVHQGBJDPZ-HNNXBMFYSA-N 1 0 334.351 2.852 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000367375338 477479459 /nfs/dbraw/zinc/47/94/59/477479459.db2.gz RQKGGDDVFPIJOA-STQMWFEESA-N 1 0 337.395 2.664 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455099320 477499340 /nfs/dbraw/zinc/49/93/40/477499340.db2.gz JTXSNGNAFLZKTC-ZDUSSCGKSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000449235783 477499856 /nfs/dbraw/zinc/49/98/56/477499856.db2.gz HNZCNUIVEAXQRI-INIZCTEOSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1cccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449238681 477500857 /nfs/dbraw/zinc/50/08/57/477500857.db2.gz SLQDLNXXUKMWGE-UHFFFAOYSA-N 1 0 348.424 2.509 20 5 EFBDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449246217 477505062 /nfs/dbraw/zinc/50/50/62/477505062.db2.gz CWQPEMLJLZSHDO-LBPRGKRZSA-N 1 0 332.404 2.620 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000449254503 477509023 /nfs/dbraw/zinc/50/90/23/477509023.db2.gz YJHWNMQPCCIUGS-GFCCVEGCSA-N 1 0 332.429 2.660 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000449261328 477514241 /nfs/dbraw/zinc/51/42/41/477514241.db2.gz BELUJUDYKAZBRQ-DHSIGJKJSA-N 1 0 344.415 2.627 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413104265 477519275 /nfs/dbraw/zinc/51/92/75/477519275.db2.gz XISFNJTYAVDBIK-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000449280776 477522123 /nfs/dbraw/zinc/52/21/23/477522123.db2.gz BKIIFYZLLUZUSY-HOTGVXAUSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000449285869 477525470 /nfs/dbraw/zinc/52/54/70/477525470.db2.gz TWYCVQPSCDMDJB-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000449297081 477530646 /nfs/dbraw/zinc/53/06/46/477530646.db2.gz BMERKSKMTVCIIP-OIISXLGYSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000449297082 477531097 /nfs/dbraw/zinc/53/10/97/477531097.db2.gz BMERKSKMTVCIIP-UAGQMJEPSA-N 1 0 345.443 2.907 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371910135 477554148 /nfs/dbraw/zinc/55/41/48/477554148.db2.gz DNXPAEBAPCXIBF-UONOGXRCSA-N 1 0 332.404 2.960 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1F ZINC000413235261 477582140 /nfs/dbraw/zinc/58/21/40/477582140.db2.gz JMCCNULOJOQKGH-BBRMVZONSA-N 1 0 345.378 2.653 20 5 EFBDRO COC(=O)Cc1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450228441 477583386 /nfs/dbraw/zinc/58/33/86/477583386.db2.gz UJPIFZLDIGJHBS-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000450540098 477625175 /nfs/dbraw/zinc/62/51/75/477625175.db2.gz MNHPWHHHISUGOC-GOSISDBHSA-N 1 0 342.399 2.684 20 5 EFBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450542738 477627658 /nfs/dbraw/zinc/62/76/58/477627658.db2.gz VDCZKPLENQDBBR-VHSXEESVSA-N 1 0 345.321 2.778 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425071709 477630185 /nfs/dbraw/zinc/63/01/85/477630185.db2.gz ZSGYHXWJZDMZKW-GOEBONIOSA-N 1 0 347.415 2.548 20 5 EFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CC2)C1 ZINC000450551313 477630353 /nfs/dbraw/zinc/63/03/53/477630353.db2.gz ZLOJZMYLCQPRRL-GFCCVEGCSA-N 1 0 343.387 2.565 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420185433 477631799 /nfs/dbraw/zinc/63/17/99/477631799.db2.gz BRWJHIKLPDEOKK-ZDUSSCGKSA-N 1 0 334.420 2.535 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000372088124 477634081 /nfs/dbraw/zinc/63/40/81/477634081.db2.gz JMJUPWBJMXHIGX-AWEZNQCLSA-N 1 0 335.404 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000420196820 477635033 /nfs/dbraw/zinc/63/50/33/477635033.db2.gz LPQGNTLVRUKGKE-UHFFFAOYSA-N 1 0 343.387 2.613 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000372095435 477636563 /nfs/dbraw/zinc/63/65/63/477636563.db2.gz OGZAKUAYSAONSD-CQSZACIVSA-N 1 0 338.404 2.731 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000372101588 477641017 /nfs/dbraw/zinc/64/10/17/477641017.db2.gz KAGLHYKQQQORBL-LQDVMPOASA-N 1 0 344.415 2.654 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458888553 477643493 /nfs/dbraw/zinc/64/34/93/477643493.db2.gz MANYPEVTMUEMDL-KBPBESRZSA-N 1 0 334.420 2.639 20 5 EFBDRO CON1CCC(N(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000413361594 477646573 /nfs/dbraw/zinc/64/65/73/477646573.db2.gz KUSVWMQLWIVMJA-UHFFFAOYSA-N 1 0 330.388 2.913 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420242899 477647046 /nfs/dbraw/zinc/64/70/46/477647046.db2.gz NMFRKBIYYVKXKO-HNNXBMFYSA-N 1 0 332.404 2.670 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000420291673 477665997 /nfs/dbraw/zinc/66/59/97/477665997.db2.gz VYERIOLULICTCP-RKDXNWHRSA-N 1 0 329.198 2.682 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413451319 477684813 /nfs/dbraw/zinc/68/48/13/477684813.db2.gz ZPXZGJXKZRRVFM-DLBZAZTESA-N 1 0 333.432 2.937 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455603563 477699488 /nfs/dbraw/zinc/69/94/88/477699488.db2.gz FSLLVIKDHCUFET-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000450811150 477725027 /nfs/dbraw/zinc/72/50/27/477725027.db2.gz NDQMEHWJASYCIY-OAHLLOKOSA-N 1 0 326.400 2.948 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000372293455 477739721 /nfs/dbraw/zinc/73/97/21/477739721.db2.gz DTYIYKNEIQUBMJ-ZFWWWQNUSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1c(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000420388772 477740053 /nfs/dbraw/zinc/74/00/53/477740053.db2.gz MPZSGTURBSBDKL-DOTOQJQBSA-N 1 0 329.375 2.969 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377328487 477742142 /nfs/dbraw/zinc/74/21/42/477742142.db2.gz BYXSFZOHEZMQMJ-GHMZBOCLSA-N 1 0 338.795 2.997 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000426839505 477750526 /nfs/dbraw/zinc/75/05/26/477750526.db2.gz CMUQWOYXCOKEGG-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO CC[C@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000420409300 477753253 /nfs/dbraw/zinc/75/32/53/477753253.db2.gz QLCMXPXETABURK-FHWLQOOXSA-N 1 0 343.427 2.566 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000426879605 477755648 /nfs/dbraw/zinc/75/56/48/477755648.db2.gz UGXJMQHFWFXEEE-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426898993 477758686 /nfs/dbraw/zinc/75/86/86/477758686.db2.gz XYGWLFXUTUYKCG-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000426915783 477759154 /nfs/dbraw/zinc/75/91/54/477759154.db2.gz HIDSECLTVURSMD-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420616711 477759557 /nfs/dbraw/zinc/75/95/57/477759557.db2.gz SUOZZRRNQXCNPC-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000367936745 477761574 /nfs/dbraw/zinc/76/15/74/477761574.db2.gz YYRSFIOMMOBEBL-CQSZACIVSA-N 1 0 347.415 2.710 20 5 EFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000450921032 477762506 /nfs/dbraw/zinc/76/25/06/477762506.db2.gz CZEMFXOUOJQNHE-UHFFFAOYSA-N 1 0 348.447 2.625 20 5 EFBDRO COC(=O)Cc1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420626341 477763304 /nfs/dbraw/zinc/76/33/04/477763304.db2.gz LRVDPTLNNSKZRU-UHFFFAOYSA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372348794 477766174 /nfs/dbraw/zinc/76/61/74/477766174.db2.gz YCWYQPPYSINFMY-RDJZCZTQSA-N 1 0 341.411 2.710 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000437984750 477783202 /nfs/dbraw/zinc/78/32/02/477783202.db2.gz KCPWOWHGLLFHAD-DZGCQCFKSA-N 1 0 346.431 2.752 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515414173 477820927 /nfs/dbraw/zinc/82/09/27/477820927.db2.gz AMCUSLGSIWNFDT-NSHDSACASA-N 1 0 333.310 2.717 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493790333 477825117 /nfs/dbraw/zinc/82/51/17/477825117.db2.gz YEVLRYUBVPKANI-RBWDJNPFSA-N 1 0 347.390 2.690 20 5 EFBDRO CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000493806309 477834501 /nfs/dbraw/zinc/83/45/01/477834501.db2.gz WFDXCJCGSCNXEX-LYASGUKUSA-N 1 0 335.379 2.738 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000456254315 477840114 /nfs/dbraw/zinc/84/01/14/477840114.db2.gz BNYHJDLAOAGSMO-CQSZACIVSA-N 1 0 343.387 2.682 20 5 EFBDRO CC[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000493819332 477841359 /nfs/dbraw/zinc/84/13/59/477841359.db2.gz MQESFAODTAYTGG-STQMWFEESA-N 1 0 341.839 2.525 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000459326923 477844704 /nfs/dbraw/zinc/84/47/04/477844704.db2.gz XEHDBYGNLRNKBJ-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420961072 477859240 /nfs/dbraw/zinc/85/92/40/477859240.db2.gz HWYRSOSEZVCKNG-CVEARBPZSA-N 1 0 334.416 2.847 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000558411624 477864297 /nfs/dbraw/zinc/86/42/97/477864297.db2.gz JWQHBSUVKJUHAU-LNCHUYFUSA-N 1 0 345.443 2.793 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])cc1O ZINC000558417938 477866064 /nfs/dbraw/zinc/86/60/64/477866064.db2.gz LSAKVIYXIDCHQB-JEBQAFNWSA-N 1 0 326.352 2.737 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCC3CCCC3)C2)nc1 ZINC000459377342 477874590 /nfs/dbraw/zinc/87/45/90/477874590.db2.gz MIEWUOOUOSEHSA-HNNXBMFYSA-N 1 0 334.420 2.683 20 5 EFBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438717103 477879133 /nfs/dbraw/zinc/87/91/33/477879133.db2.gz JDDFXXWISGSDCJ-AEFFLSMTSA-N 1 0 346.431 2.790 20 5 EFBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438717105 477879711 /nfs/dbraw/zinc/87/97/11/477879711.db2.gz JDDFXXWISGSDCJ-FUHWJXTLSA-N 1 0 346.431 2.790 20 5 EFBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000438830493 477888593 /nfs/dbraw/zinc/88/85/93/477888593.db2.gz HKMFRMPSAVPJEI-ZBCRRDGASA-N 1 0 338.452 2.689 20 5 EFBDRO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000421013825 477901049 /nfs/dbraw/zinc/90/10/49/477901049.db2.gz KGYMQALGBDDJIK-SWLSCSKDSA-N 1 0 331.372 2.638 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000516187377 477904856 /nfs/dbraw/zinc/90/48/56/477904856.db2.gz CCPFGPOCTANEKZ-KBPBESRZSA-N 1 0 331.416 2.516 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000438925910 477906389 /nfs/dbraw/zinc/90/63/89/477906389.db2.gz BGESJYBIWCNWSP-MRXNPFEDSA-N 1 0 345.443 2.636 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000439130507 477934349 /nfs/dbraw/zinc/93/43/49/477934349.db2.gz KIESDWYTTLDEQA-HNNXBMFYSA-N 1 0 346.362 2.548 20 5 EFBDRO Cc1ccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000439162535 477939732 /nfs/dbraw/zinc/93/97/32/477939732.db2.gz QCNBUSKTWVXTOL-INIZCTEOSA-N 1 0 342.399 2.717 20 5 EFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494276823 477957059 /nfs/dbraw/zinc/95/70/59/477957059.db2.gz LUPNKTPNBRQBIH-WMFXKJRFSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000532625210 477959657 /nfs/dbraw/zinc/95/96/57/477959657.db2.gz VAGYJDCLESLGBL-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464824276 477962947 /nfs/dbraw/zinc/96/29/47/477962947.db2.gz UOGHIUOEDGGKCA-YJBOKZPZSA-N 1 0 349.431 2.977 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523714 477965402 /nfs/dbraw/zinc/96/54/02/477965402.db2.gz FQGZXLDQTNCTQF-STQMWFEESA-N 1 0 337.395 2.780 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000516748858 477981544 /nfs/dbraw/zinc/98/15/44/477981544.db2.gz VHJYHVBDPOAMBX-GOSISDBHSA-N 1 0 331.416 2.963 20 5 EFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000428793535 477984172 /nfs/dbraw/zinc/98/41/72/477984172.db2.gz ZDBFNJXSJFVWPO-LJQANCHMSA-N 1 0 340.379 2.912 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000456562477 477984118 /nfs/dbraw/zinc/98/41/18/477984118.db2.gz VPGTXWVVEFVRGO-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000494450648 477988354 /nfs/dbraw/zinc/98/83/54/477988354.db2.gz FUWIBYZNAMEHCI-KRWDZBQOSA-N 1 0 327.384 2.769 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000494459334 477992193 /nfs/dbraw/zinc/99/21/93/477992193.db2.gz XHNRJDPZJYMKRE-FUHWJXTLSA-N 1 0 333.432 2.673 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000451413569 477999522 /nfs/dbraw/zinc/99/95/22/477999522.db2.gz BUBLOJPSRYLVFN-XNRPHZJLSA-N 1 0 338.379 2.868 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494498580 477999429 /nfs/dbraw/zinc/99/94/29/477999429.db2.gz WCCKSBDZOWLAMX-JTQLQIEISA-N 1 0 328.294 2.988 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451412982 478000810 /nfs/dbraw/zinc/00/08/10/478000810.db2.gz GQENQGWDLREBDO-FRFSOERESA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@@]1(NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000516870713 478002266 /nfs/dbraw/zinc/00/22/66/478002266.db2.gz LDYIJLVMIIZKES-LJQANCHMSA-N 1 0 339.395 2.989 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)nc2c1 ZINC000451415774 478002633 /nfs/dbraw/zinc/00/26/33/478002633.db2.gz JUCMIFVLHFOJMY-BPLDGKMQSA-N 1 0 331.372 2.861 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418719 478004094 /nfs/dbraw/zinc/00/40/94/478004094.db2.gz MWDUEKDNFHNUOO-BASLNEPJSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418721 478004138 /nfs/dbraw/zinc/00/41/38/478004138.db2.gz MWDUEKDNFHNUOO-VJUNAUMWSA-N 1 0 347.415 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000451420214 478006731 /nfs/dbraw/zinc/00/67/31/478006731.db2.gz NAQWKWBBYSNDGR-MAZHCROVSA-N 1 0 330.388 2.597 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439617446 478008270 /nfs/dbraw/zinc/00/82/70/478008270.db2.gz YORLJMPAICDLOE-RKLWJJNISA-N 1 0 347.415 2.715 20 5 EFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459609230 478008861 /nfs/dbraw/zinc/00/88/61/478008861.db2.gz JBUUNJJCJYIPKK-PIGZYNQJSA-N 1 0 349.387 2.820 20 5 EFBDRO Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439658711 478013685 /nfs/dbraw/zinc/01/36/85/478013685.db2.gz PLIJLIYUDUUVRC-HOTGVXAUSA-N 1 0 341.415 2.677 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000439686613 478015949 /nfs/dbraw/zinc/01/59/49/478015949.db2.gz ZLGZPMCQEWXEPI-INIZCTEOSA-N 1 0 349.431 2.600 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000439693113 478016883 /nfs/dbraw/zinc/01/68/83/478016883.db2.gz SCYBXGMKPCUDBA-MRXNPFEDSA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000560076600 478017704 /nfs/dbraw/zinc/01/77/04/478017704.db2.gz RNHQGBKHGHSLRA-CQSZACIVSA-N 1 0 338.411 2.975 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000532988521 478018277 /nfs/dbraw/zinc/01/82/77/478018277.db2.gz ZCNXISVNPJZLJX-UHFFFAOYSA-N 1 0 329.356 2.761 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000494645756 478031898 /nfs/dbraw/zinc/03/18/98/478031898.db2.gz DEZGJFMQLZLAKD-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004533 478032137 /nfs/dbraw/zinc/03/21/37/478032137.db2.gz ZUQBPIACVWRAIY-RKVPGOIHSA-N 1 0 333.432 2.636 20 5 EFBDRO Cc1cc(F)ccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517016944 478036006 /nfs/dbraw/zinc/03/60/06/478036006.db2.gz LPMSLBSIXHHOEA-KRWDZBQOSA-N 1 0 348.374 2.614 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000451475471 478037299 /nfs/dbraw/zinc/03/72/99/478037299.db2.gz CQBVGMRYXGQPBY-USXIJHARSA-N 1 0 347.415 2.717 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451477143 478037545 /nfs/dbraw/zinc/03/75/45/478037545.db2.gz HGIFYXQJBLEBJI-XKQJLSEDSA-N 1 0 347.415 2.635 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCO[C@@H]21 ZINC000451480402 478040939 /nfs/dbraw/zinc/04/09/39/478040939.db2.gz QBRIVVLIVPWSGY-LYRGGWFBSA-N 1 0 330.388 2.764 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000439875318 478041076 /nfs/dbraw/zinc/04/10/76/478041076.db2.gz RZIXGNBBZOGOFL-RYUDHWBXSA-N 1 0 336.392 2.598 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000439879517 478041457 /nfs/dbraw/zinc/04/14/57/478041457.db2.gz GTSIBLIQQDFLMT-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCO[C@H]21 ZINC000451480361 478041423 /nfs/dbraw/zinc/04/14/23/478041423.db2.gz QBRIVVLIVPWSGY-IUIKQTSFSA-N 1 0 330.388 2.764 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421346294 478044333 /nfs/dbraw/zinc/04/43/33/478044333.db2.gz CKIYMFCVYOWFNJ-WPMUKRGUSA-N 1 0 331.416 2.846 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451485434 478044569 /nfs/dbraw/zinc/04/45/69/478044569.db2.gz CYTWXSRKNBSCQI-GJZGRUSLSA-N 1 0 335.404 2.635 20 5 EFBDRO NC(=O)CC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421349049 478045014 /nfs/dbraw/zinc/04/50/14/478045014.db2.gz HJCQVWIFMNBNJR-ZFWWWQNUSA-N 1 0 331.416 2.551 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429033323 478045289 /nfs/dbraw/zinc/04/52/89/478045289.db2.gz ZVHJHDWTNUBTRR-INMHGKMJSA-N 1 0 333.432 2.636 20 5 EFBDRO NC(=O)CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000421350398 478045984 /nfs/dbraw/zinc/04/59/84/478045984.db2.gz LKEVJXCSWZTSAO-UHFFFAOYSA-N 1 0 329.356 2.600 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421351292 478046802 /nfs/dbraw/zinc/04/68/02/478046802.db2.gz NVBPHKZJQNIJID-OTOWYGFESA-N 1 0 331.416 2.879 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000494706341 478051625 /nfs/dbraw/zinc/05/16/25/478051625.db2.gz DWKZHBFKYPQMEF-LLVKDONJSA-N 1 0 348.428 2.966 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451506339 478057701 /nfs/dbraw/zinc/05/77/01/478057701.db2.gz RYFMUUPXCWLTAD-STQMWFEESA-N 1 0 341.795 2.590 20 5 EFBDRO CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451521976 478063964 /nfs/dbraw/zinc/06/39/64/478063964.db2.gz AJUWXAVFTUJTKN-DVOMOZLQSA-N 1 0 335.404 2.669 20 5 EFBDRO CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451521977 478064619 /nfs/dbraw/zinc/06/46/19/478064619.db2.gz AJUWXAVFTUJTKN-HEHGZKQESA-N 1 0 335.404 2.669 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000429139958 478067340 /nfs/dbraw/zinc/06/73/40/478067340.db2.gz WZGQBVQLXAAMAN-GWCFXTLKSA-N 1 0 346.412 2.528 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459746475 478070727 /nfs/dbraw/zinc/07/07/27/478070727.db2.gz FNICZWUXRBPHLB-CVEARBPZSA-N 1 0 347.415 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000517245062 478071890 /nfs/dbraw/zinc/07/18/90/478071890.db2.gz QQZIZCHLVISDRQ-RDJZCZTQSA-N 1 0 333.432 2.761 20 5 EFBDRO CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451539339 478074192 /nfs/dbraw/zinc/07/41/92/478074192.db2.gz KARXKNFMDJRKSG-WOSRLPQWSA-N 1 0 335.404 2.669 20 5 EFBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421398375 478074316 /nfs/dbraw/zinc/07/43/16/478074316.db2.gz YXNCQSQUUTVVKO-CYBMUJFWSA-N 1 0 329.356 2.565 20 5 EFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421402218 478075731 /nfs/dbraw/zinc/07/57/31/478075731.db2.gz DIFBDJYXIDXDSB-KRWDZBQOSA-N 1 0 343.431 2.521 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540899 478076038 /nfs/dbraw/zinc/07/60/38/478076038.db2.gz LFUSWBDUCXNENV-CXAGYDPISA-N 1 0 349.431 2.979 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451544920 478079335 /nfs/dbraw/zinc/07/93/35/478079335.db2.gz QINLDLZMPVZINN-PBHICJAKSA-N 1 0 349.431 2.979 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[N@@H+]1C ZINC000421412269 478080083 /nfs/dbraw/zinc/08/00/83/478080083.db2.gz SDXXGUULHXFNCN-ZDUSSCGKSA-N 1 0 329.347 2.722 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459777440 478086411 /nfs/dbraw/zinc/08/64/11/478086411.db2.gz VWTQVCNEXVPCTO-APHBMKBZSA-N 1 0 347.415 2.777 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459792759 478095413 /nfs/dbraw/zinc/09/54/13/478095413.db2.gz JBOMZCOMMUOQHL-ZWKOTPCHSA-N 1 0 334.416 2.847 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000459793199 478095785 /nfs/dbraw/zinc/09/57/85/478095785.db2.gz TUVZOWWLCZFIAF-HUUCEWRRSA-N 1 0 334.372 2.509 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459796034 478096339 /nfs/dbraw/zinc/09/63/39/478096339.db2.gz VYJCZEDKNURMJW-DAXOMENPSA-N 1 0 347.415 2.859 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)c1 ZINC000459796767 478098854 /nfs/dbraw/zinc/09/88/54/478098854.db2.gz QPZAIPMLQRPOFZ-KBPBESRZSA-N 1 0 331.397 2.982 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488005244 478105235 /nfs/dbraw/zinc/10/52/35/478105235.db2.gz CKYDDCHDMRUWPF-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO Cc1cc(N2CCC3(COC(=O)N3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000495030810 478108002 /nfs/dbraw/zinc/10/80/02/478108002.db2.gz KWKZFZNKVQMHIU-UHFFFAOYSA-N 1 0 342.355 2.530 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[C@@H]1C ZINC000488039855 478109657 /nfs/dbraw/zinc/10/96/57/478109657.db2.gz CZSKESKSKIFBCU-SUMWQHHRSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)cc1[N+](=O)[O-] ZINC000495046090 478111208 /nfs/dbraw/zinc/11/12/08/478111208.db2.gz ILAMTLBCWDMIHM-UHFFFAOYSA-N 1 0 333.388 2.793 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451594737 478115414 /nfs/dbraw/zinc/11/54/14/478115414.db2.gz CADZPVXOJNWVDX-OLZOCXBDSA-N 1 0 346.387 2.683 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000451596370 478115826 /nfs/dbraw/zinc/11/58/26/478115826.db2.gz FUNYVOMJJOCQEZ-MAUKXSAKSA-N 1 0 334.416 2.880 20 5 EFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000451603602 478119797 /nfs/dbraw/zinc/11/97/97/478119797.db2.gz XIDYYVAZMYNYCL-DYVFJYSZSA-N 1 0 334.420 2.850 20 5 EFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000451603604 478119815 /nfs/dbraw/zinc/11/98/15/478119815.db2.gz XIDYYVAZMYNYCL-GUYCJALGSA-N 1 0 334.420 2.850 20 5 EFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000451603601 478120184 /nfs/dbraw/zinc/12/01/84/478120184.db2.gz XIDYYVAZMYNYCL-CXAGYDPISA-N 1 0 334.420 2.850 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647133 478141620 /nfs/dbraw/zinc/14/16/20/478141620.db2.gz LVSHEJUSPIPCCI-OAHLLOKOSA-N 1 0 338.429 2.810 20 5 EFBDRO CC[C@@]1(O)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000495233419 478148601 /nfs/dbraw/zinc/14/86/01/478148601.db2.gz VUTIARQFJCAMHR-QGZVFWFLSA-N 1 0 331.372 2.639 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([NH2+]CC2CC2)CC1 ZINC000429559132 478153739 /nfs/dbraw/zinc/15/37/39/478153739.db2.gz WEWJLSOIHKXCEN-UHFFFAOYSA-N 1 0 343.383 2.945 20 5 EFBDRO CO[C@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1OC ZINC000488545993 478160046 /nfs/dbraw/zinc/16/00/46/478160046.db2.gz PWHPIMYNWNZSJF-IRXDYDNUSA-N 1 0 332.356 2.700 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451698762 478163246 /nfs/dbraw/zinc/16/32/46/478163246.db2.gz JVPHSECOXSCSJK-OAGGEKHMSA-N 1 0 334.416 2.976 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440822384 478165423 /nfs/dbraw/zinc/16/54/23/478165423.db2.gz TWNSNHVJBUXHLK-LJQANCHMSA-N 1 0 342.395 2.787 20 5 EFBDRO Cc1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000518429583 478167058 /nfs/dbraw/zinc/16/70/58/478167058.db2.gz TZFZWTXFEVWVCH-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO COC(=O)C[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000429672568 478170657 /nfs/dbraw/zinc/17/06/57/478170657.db2.gz OPERHQYEVJBCGS-SFHVURJKSA-N 1 0 343.383 2.600 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000451712422 478172984 /nfs/dbraw/zinc/17/29/84/478172984.db2.gz QRKUNAYWBXHELL-UHFFFAOYSA-N 1 0 339.395 2.685 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488722700 478174678 /nfs/dbraw/zinc/17/46/78/478174678.db2.gz VOWFNEJGBVSKMJ-OGHNNQOOSA-N 1 0 331.416 2.964 20 5 EFBDRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429707953 478177407 /nfs/dbraw/zinc/17/74/07/478177407.db2.gz KRYKURBOYGXICY-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)C1 ZINC000488747162 478179165 /nfs/dbraw/zinc/17/91/65/478179165.db2.gz IJVGZISGKPGFIN-AHIWAGSCSA-N 1 0 330.432 2.729 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000561466924 478187697 /nfs/dbraw/zinc/18/76/97/478187697.db2.gz ARIBFBNELKLXTK-JLZZUVOBSA-N 1 0 349.431 2.963 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccsc3)CC2)c1 ZINC000535260052 478204132 /nfs/dbraw/zinc/20/41/32/478204132.db2.gz KSHIUUHADUERNO-UHFFFAOYSA-N 1 0 333.413 2.987 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000495478224 478205131 /nfs/dbraw/zinc/20/51/31/478205131.db2.gz CGLZALYWSHTDOI-ZFWWWQNUSA-N 1 0 335.404 2.860 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000561862570 478205610 /nfs/dbraw/zinc/20/56/10/478205610.db2.gz FSCUMMDPQWVYPN-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000495553364 478228211 /nfs/dbraw/zinc/22/82/11/478228211.db2.gz AHPJXMMDWJODHQ-UKRRQHHQSA-N 1 0 335.404 2.860 20 5 EFBDRO Cc1noc([C@@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000519612192 478240172 /nfs/dbraw/zinc/24/01/72/478240172.db2.gz NZEXFHSEYUGFAJ-LLVKDONJSA-N 1 0 347.375 2.616 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCc2ccccc21 ZINC000536376756 478249301 /nfs/dbraw/zinc/24/93/01/478249301.db2.gz CWNBEMQCYDNWLP-QGZVFWFLSA-N 1 0 327.384 2.766 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000519708788 478252537 /nfs/dbraw/zinc/25/25/37/478252537.db2.gz NWKVKFBDBUPETQ-JENIJYKNSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2c(c1)COCO2 ZINC000579350060 478277252 /nfs/dbraw/zinc/27/72/52/478277252.db2.gz YQKFKZOIJWOCTI-SUMWQHHRSA-N 1 0 348.399 2.852 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000590658529 478277656 /nfs/dbraw/zinc/27/76/56/478277656.db2.gz YHSRDZWKAHQLCF-DOMZBBRYSA-N 1 0 336.388 2.613 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536883162 478278834 /nfs/dbraw/zinc/27/88/34/478278834.db2.gz RJYZHQDVAKSSFQ-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590665845 478281397 /nfs/dbraw/zinc/28/13/97/478281397.db2.gz ZBJFOPMAWHAMPG-AWEZNQCLSA-N 1 0 333.432 2.861 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590667788 478282597 /nfs/dbraw/zinc/28/25/97/478282597.db2.gz LKASSHZKFSHSFZ-HNNXBMFYSA-N 1 0 347.415 2.548 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000579470658 478305331 /nfs/dbraw/zinc/30/53/31/478305331.db2.gz OJAWUKQBPSXBIP-CYBMUJFWSA-N 1 0 333.388 2.567 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnn(CC(F)(F)F)c1)C2 ZINC000537625795 478320990 /nfs/dbraw/zinc/32/09/90/478320990.db2.gz UZEYGGGCUJLBOZ-UHFFFAOYSA-N 1 0 340.305 2.912 20 5 EFBDRO O=C1CCCN1CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562716820 478328481 /nfs/dbraw/zinc/32/84/81/478328481.db2.gz ZESRRRSEAZTVJA-MRXNPFEDSA-N 1 0 331.416 2.787 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774975 478331741 /nfs/dbraw/zinc/33/17/41/478331741.db2.gz AQGBLUWIICFQKB-DOTOQJQBSA-N 1 0 331.416 2.785 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600310058 478332880 /nfs/dbraw/zinc/33/28/80/478332880.db2.gz FSKXXKJSDHPOEX-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600310065 478333447 /nfs/dbraw/zinc/33/34/47/478333447.db2.gz FUFDDDDUYQYXPS-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600314214 478335798 /nfs/dbraw/zinc/33/57/98/478335798.db2.gz NRRRRYPLPXVJCQ-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO CC1(C)C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590781203 478336739 /nfs/dbraw/zinc/33/67/39/478336739.db2.gz FVJKHVDOFXJRBD-LBPRGKRZSA-N 1 0 336.388 2.661 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cn3ccsc3n2)n1 ZINC000520720197 478337070 /nfs/dbraw/zinc/33/70/70/478337070.db2.gz YJQYGJXPMZSZPL-QWHCGFSZSA-N 1 0 346.416 2.774 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000594375429 478349995 /nfs/dbraw/zinc/34/99/95/478349995.db2.gz OGMNUIOVRULPNJ-TXEJJXNPSA-N 1 0 330.388 2.631 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000594389832 478356720 /nfs/dbraw/zinc/35/67/20/478356720.db2.gz ODHLCRSWIRERGL-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000594390698 478358853 /nfs/dbraw/zinc/35/88/53/478358853.db2.gz YPPYJWNETJEVCU-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594418185 478374888 /nfs/dbraw/zinc/37/48/88/478374888.db2.gz GYTGNPZFPRRPMX-UONOGXRCSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000581603042 478397893 /nfs/dbraw/zinc/39/78/93/478397893.db2.gz HSVDVQJOGWHPNM-BRWVUGGUSA-N 1 0 342.395 2.870 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531265 478398762 /nfs/dbraw/zinc/39/87/62/478398762.db2.gz BKSSXQQOPSYIBI-ZIAGYGMSSA-N 1 0 337.445 2.919 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000563001521 478410921 /nfs/dbraw/zinc/41/09/21/478410921.db2.gz WDLMIUHSLGUMJO-GXTWGEPZSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000563001522 478411324 /nfs/dbraw/zinc/41/13/24/478411324.db2.gz WDLMIUHSLGUMJO-JSGCOSHPSA-N 1 0 344.358 2.750 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597572785 478415215 /nfs/dbraw/zinc/41/52/15/478415215.db2.gz RTBKAVDVTLZBGQ-UHFFFAOYSA-N 1 0 349.456 2.875 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594514458 478421118 /nfs/dbraw/zinc/42/11/18/478421118.db2.gz YFKWYUXQHXDJGZ-DOMZBBRYSA-N 1 0 345.403 2.675 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594517209 478422527 /nfs/dbraw/zinc/42/25/27/478422527.db2.gz ICHXFGCVRIWUGB-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594516526 478423481 /nfs/dbraw/zinc/42/34/81/478423481.db2.gz XCHMZRHLEXHQKZ-KBMXLJTQSA-N 1 0 329.404 2.891 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597589909 478423676 /nfs/dbraw/zinc/42/36/76/478423676.db2.gz YPRNLSNHVVJPIZ-MRXNPFEDSA-N 1 0 345.443 2.908 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597603440 478428213 /nfs/dbraw/zinc/42/82/13/478428213.db2.gz BYXDEXGJEZXOFI-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO CCOC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000491042447 478431763 /nfs/dbraw/zinc/43/17/63/478431763.db2.gz SYPFQZLTQPGFMT-UHFFFAOYSA-N 1 0 335.404 2.956 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000570750925 478436824 /nfs/dbraw/zinc/43/68/24/478436824.db2.gz XXFVGBOVVNOQKV-KDOFPFPSSA-N 1 0 331.416 2.643 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000591039819 478441656 /nfs/dbraw/zinc/44/16/56/478441656.db2.gz NEWODLJWKDGFDD-OAHLLOKOSA-N 1 0 349.431 2.985 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000591063094 478446183 /nfs/dbraw/zinc/44/61/83/478446183.db2.gz GGJOUJXIGANDBK-OAHLLOKOSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000591063093 478446677 /nfs/dbraw/zinc/44/66/77/478446677.db2.gz GGJOUJXIGANDBK-HNNXBMFYSA-N 1 0 349.431 2.986 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591062982 478447797 /nfs/dbraw/zinc/44/77/97/478447797.db2.gz DSZANTDWTBOAMK-RHSMWYFYSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000594596605 478455345 /nfs/dbraw/zinc/45/53/45/478455345.db2.gz AUHVPCMWJXPXMX-JKSUJKDBSA-N 1 0 327.388 2.967 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2N1 ZINC000594604578 478462143 /nfs/dbraw/zinc/46/21/43/478462143.db2.gz ZZLPHLIYOSVCQF-BBRMVZONSA-N 1 0 344.415 2.908 20 5 EFBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c([N+](=O)[O-])cc21 ZINC000594603272 478462233 /nfs/dbraw/zinc/46/22/33/478462233.db2.gz SUCRYNNMQAZHEJ-DOMZBBRYSA-N 1 0 343.387 2.672 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597697249 478468119 /nfs/dbraw/zinc/46/81/19/478468119.db2.gz FFQWPQAALQIPHH-SKDRFNHKSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597700608 478470624 /nfs/dbraw/zinc/47/06/24/478470624.db2.gz OOHSQBOUGVGHHG-NOZJJQNGSA-N 1 0 345.321 2.778 20 5 EFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 ZINC000597703762 478471843 /nfs/dbraw/zinc/47/18/43/478471843.db2.gz JIKYZZQPUICAON-UHFFFAOYSA-N 1 0 334.420 2.650 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591143073 478474131 /nfs/dbraw/zinc/47/41/31/478474131.db2.gz BWLPJOJDTBKQFM-SNVBAGLBSA-N 1 0 332.326 2.975 20 5 EFBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591149342 478476257 /nfs/dbraw/zinc/47/62/57/478476257.db2.gz MYEJGSRTXXNEEJ-UHFFFAOYSA-N 1 0 348.325 2.531 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000540609585 478484981 /nfs/dbraw/zinc/48/49/81/478484981.db2.gz STZMVAQUHHQKCW-HJSHSUPBSA-N 1 0 349.431 2.961 20 5 EFBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000591182671 478485258 /nfs/dbraw/zinc/48/52/58/478485258.db2.gz REEISMIKQCNOHC-OAUYIBNBSA-N 1 0 331.416 2.545 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000591186789 478485412 /nfs/dbraw/zinc/48/54/12/478485412.db2.gz ACLDJNXWIROGEV-UHFFFAOYSA-N 1 0 337.420 2.796 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275147 478505067 /nfs/dbraw/zinc/50/50/67/478505067.db2.gz IZVXAXFQGGDNLQ-LLVKDONJSA-N 1 0 329.356 2.998 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000594716176 478509138 /nfs/dbraw/zinc/50/91/38/478509138.db2.gz LFZQTGHUVMWTRX-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000491323495 478511443 /nfs/dbraw/zinc/51/14/43/478511443.db2.gz ZPVQKFAUEGFMJZ-GQCTYLIASA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591297640 478512420 /nfs/dbraw/zinc/51/24/20/478512420.db2.gz SVPGAWPSSQLUHE-JTQLQIEISA-N 1 0 346.309 2.877 20 5 EFBDRO CC1([NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000591297615 478513214 /nfs/dbraw/zinc/51/32/14/478513214.db2.gz IEYIRLQWTVWIGQ-UHFFFAOYSA-N 1 0 346.309 2.959 20 5 EFBDRO C[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[NH2+]1 ZINC000600772526 478514013 /nfs/dbraw/zinc/51/40/13/478514013.db2.gz DJZOAIQOOXWZGP-WCQYABFASA-N 1 0 332.429 2.948 20 5 EFBDRO COC(=O)c1cc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1 ZINC000600788179 478520295 /nfs/dbraw/zinc/52/02/95/478520295.db2.gz JXJPKGUXTZGNPD-QGZVFWFLSA-N 1 0 342.351 2.709 20 5 EFBDRO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000600786765 478521365 /nfs/dbraw/zinc/52/13/65/478521365.db2.gz SIBNTNFNHVIYGZ-CQSZACIVSA-N 1 0 326.356 2.595 20 5 EFBDRO Cc1ccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)cc1[N+](=O)[O-] ZINC000600791598 478523597 /nfs/dbraw/zinc/52/35/97/478523597.db2.gz SXGGWBCSOLPKFW-HNNXBMFYSA-N 1 0 340.383 2.903 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491384995 478530428 /nfs/dbraw/zinc/53/04/28/478530428.db2.gz MRLCZQBSIZPERN-YDZSZYSISA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]1CN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000591347975 478532214 /nfs/dbraw/zinc/53/22/14/478532214.db2.gz NVTPOCZPXXFENL-KBXCAEBGSA-N 1 0 333.432 2.673 20 5 EFBDRO Cn1cc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000563363846 478532595 /nfs/dbraw/zinc/53/25/95/478532595.db2.gz LUTMSZSALRVMEM-KRWDZBQOSA-N 1 0 344.415 2.833 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591360374 478535868 /nfs/dbraw/zinc/53/58/68/478535868.db2.gz OBPCOBLRLPIWTI-JKSUJKDBSA-N 1 0 346.431 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccsc3)CC2)cn1 ZINC000541160794 478539977 /nfs/dbraw/zinc/53/99/77/478539977.db2.gz CNXGTQRMAOEXJZ-UHFFFAOYSA-N 1 0 332.429 2.806 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597859676 478546048 /nfs/dbraw/zinc/54/60/48/478546048.db2.gz FMLCJRJFFUFIPL-ZIAGYGMSSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597859675 478547081 /nfs/dbraw/zinc/54/70/81/478547081.db2.gz FMLCJRJFFUFIPL-UONOGXRCSA-N 1 0 333.432 2.935 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436554 478550711 /nfs/dbraw/zinc/55/07/11/478550711.db2.gz BSQLNJSFEUHZRJ-CJNGLKHVSA-N 1 0 339.399 2.548 20 5 EFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436557 478550955 /nfs/dbraw/zinc/55/09/55/478550955.db2.gz BSQLNJSFEUHZRJ-XJKSGUPXSA-N 1 0 339.399 2.548 20 5 EFBDRO O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446987 478555661 /nfs/dbraw/zinc/55/56/61/478555661.db2.gz HOCJXJNWBPQWHU-IRXDYDNUSA-N 1 0 346.431 2.530 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597922511 478575956 /nfs/dbraw/zinc/57/59/56/478575956.db2.gz FEWSKZFOWIWQLC-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H](NC(=O)C[C@H]([NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582354740 478576627 /nfs/dbraw/zinc/57/66/27/478576627.db2.gz FAEXAINHTONHSH-CZUORRHYSA-N 1 0 327.384 2.732 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597925482 478579009 /nfs/dbraw/zinc/57/90/09/478579009.db2.gz VSCVHBANCDKMRX-CQSZACIVSA-N 1 0 333.432 2.861 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597925480 478579522 /nfs/dbraw/zinc/57/95/22/478579522.db2.gz VSCVHBANCDKMRX-AWEZNQCLSA-N 1 0 333.432 2.861 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597926019 478581102 /nfs/dbraw/zinc/58/11/02/478581102.db2.gz ZMNZRRRCNJJPHC-CQSZACIVSA-N 1 0 347.415 2.547 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582370436 478582138 /nfs/dbraw/zinc/58/21/38/478582138.db2.gz PTICUFBMMRJHMA-RDTXWAMCSA-N 1 0 342.395 2.956 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)c1 ZINC000591581213 478585882 /nfs/dbraw/zinc/58/58/82/478585882.db2.gz NYADWPFSWVAZNB-XYJFISCASA-N 1 0 329.375 2.974 20 5 EFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591681038 478605546 /nfs/dbraw/zinc/60/55/46/478605546.db2.gz MZYFVKQLPWJPNU-OAHLLOKOSA-N 1 0 343.383 2.650 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000591676218 478605743 /nfs/dbraw/zinc/60/57/43/478605743.db2.gz FVFYQLYKELOODI-RNCFNFMXSA-N 1 0 345.321 2.813 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594960644 478606430 /nfs/dbraw/zinc/60/64/30/478606430.db2.gz JPRVOYYUACJTFA-NHBFPYQTSA-N 1 0 340.445 2.773 20 5 EFBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890334 478607757 /nfs/dbraw/zinc/60/77/57/478607757.db2.gz RCZZXPIKCKCHRN-UKRRQHHQSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@H](CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597997534 478611899 /nfs/dbraw/zinc/61/18/99/478611899.db2.gz MSDBRZBVHDBCCG-NEPJUHHUSA-N 1 0 325.434 2.532 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2c(F)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000601008599 478612508 /nfs/dbraw/zinc/61/25/08/478612508.db2.gz STBMQWMRYQJUIV-SJKOYZFVSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594979244 478615622 /nfs/dbraw/zinc/61/56/22/478615622.db2.gz GQGKTBUPCRYMIP-AWEZNQCLSA-N 1 0 349.431 2.576 20 5 EFBDRO Cc1nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000591745666 478618269 /nfs/dbraw/zinc/61/82/69/478618269.db2.gz XCDQBQPHESALNA-UHFFFAOYSA-N 1 0 334.401 2.787 20 5 EFBDRO CC1(C)CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591767789 478625383 /nfs/dbraw/zinc/62/53/83/478625383.db2.gz KWUXCZBJKQYGIV-ZDUSSCGKSA-N 1 0 340.445 2.784 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000595011744 478627661 /nfs/dbraw/zinc/62/76/61/478627661.db2.gz MEFZJZINSOXVKM-CZUORRHYSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCCCC1=O ZINC000595010797 478628375 /nfs/dbraw/zinc/62/83/75/478628375.db2.gz ILKRRIOSTXZJDD-CYBMUJFWSA-N 1 0 335.404 2.657 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000595028551 478634670 /nfs/dbraw/zinc/63/46/70/478634670.db2.gz UTEKANYDXYMMRR-DCGLDWPTSA-N 1 0 336.388 2.592 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000595027587 478635042 /nfs/dbraw/zinc/63/50/42/478635042.db2.gz QJSYSYNTMYDTLJ-GFCCVEGCSA-N 1 0 335.404 2.560 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039596 478637883 /nfs/dbraw/zinc/63/78/83/478637883.db2.gz TZDRUVWXRFTMHH-QWHCGFSZSA-N 1 0 337.420 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000595041367 478638707 /nfs/dbraw/zinc/63/87/07/478638707.db2.gz KOBDQLQRECTMGT-BLLLJJGKSA-N 1 0 348.374 2.997 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595043600 478638799 /nfs/dbraw/zinc/63/87/99/478638799.db2.gz WTYIGMMTHHSKMV-LRDDRELGSA-N 1 0 337.420 2.757 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000595040326 478638931 /nfs/dbraw/zinc/63/89/31/478638931.db2.gz UAVOQQYZYJJIIZ-XFNZEKPQSA-N 1 0 326.418 2.555 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000595046709 478640447 /nfs/dbraw/zinc/64/04/47/478640447.db2.gz CUWPEYXJCRAPHM-TZMCWYRMSA-N 1 0 335.404 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000595044926 478640593 /nfs/dbraw/zinc/64/05/93/478640593.db2.gz PELICKQBNXIACM-JHJVBQTASA-N 1 0 335.404 2.546 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000595044672 478640718 /nfs/dbraw/zinc/64/07/18/478640718.db2.gz NMAIZLZYSJMABI-IUPBHXKESA-N 1 0 330.331 2.803 20 5 EFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056410 478643614 /nfs/dbraw/zinc/64/36/14/478643614.db2.gz HBUUZVQFCHOYAI-KKUMJFAQSA-N 1 0 335.452 2.737 20 5 EFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595056412 478644176 /nfs/dbraw/zinc/64/41/76/478644176.db2.gz HBUUZVQFCHOYAI-SOUVJXGZSA-N 1 0 335.452 2.737 20 5 EFBDRO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000563849478 478644220 /nfs/dbraw/zinc/64/42/20/478644220.db2.gz PPXCRIHEAOYQCM-ZDUSSCGKSA-N 1 0 331.416 2.689 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571705424 478658453 /nfs/dbraw/zinc/65/84/53/478658453.db2.gz HWVLUWVJEHNKRV-HUUCEWRRSA-N 1 0 333.432 2.792 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601110052 478662836 /nfs/dbraw/zinc/66/28/36/478662836.db2.gz YEOTUEBDCAZART-OKILXGFUSA-N 1 0 338.477 2.651 20 5 EFBDRO O=[N+]([O-])c1sccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601119405 478666731 /nfs/dbraw/zinc/66/67/31/478666731.db2.gz RMOZCOZVOLBJNY-INIZCTEOSA-N 1 0 333.413 2.705 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571851395 478688734 /nfs/dbraw/zinc/68/87/34/478688734.db2.gz MJRKUQMXQSTRRE-ZBFHGGJFSA-N 1 0 345.443 2.889 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601154163 478692253 /nfs/dbraw/zinc/69/22/53/478692253.db2.gz ZBEQVKQKNYFJME-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598194002 478699737 /nfs/dbraw/zinc/69/97/37/478699737.db2.gz CXFQDQOMRUVSHV-HNNXBMFYSA-N 1 0 343.383 2.577 20 5 EFBDRO Cc1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1 ZINC000595256102 478704728 /nfs/dbraw/zinc/70/47/28/478704728.db2.gz AWTQWVNXHMXTND-KRWDZBQOSA-N 1 0 341.367 2.816 20 5 EFBDRO Cc1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1 ZINC000595256104 478705019 /nfs/dbraw/zinc/70/50/19/478705019.db2.gz AWTQWVNXHMXTND-QGZVFWFLSA-N 1 0 341.367 2.816 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000595270085 478708795 /nfs/dbraw/zinc/70/87/95/478708795.db2.gz GJFABEQJLLUGFT-UHFFFAOYSA-N 1 0 334.420 2.786 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598219040 478709636 /nfs/dbraw/zinc/70/96/36/478709636.db2.gz KYLLRCFXMDXZBF-AWEZNQCLSA-N 1 0 347.415 2.740 20 5 EFBDRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598218507 478709703 /nfs/dbraw/zinc/70/97/03/478709703.db2.gz GSGAJSFTMVBMPU-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO [NH3+]C1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000595271687 478709728 /nfs/dbraw/zinc/70/97/28/478709728.db2.gz WJQXKCMPOFBHDN-OAHLLOKOSA-N 1 0 346.431 2.755 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491870984 478718186 /nfs/dbraw/zinc/71/81/86/478718186.db2.gz WQRMXQNVQIRNRO-WOLRVDTOSA-N 1 0 335.379 2.547 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000601211051 478724625 /nfs/dbraw/zinc/72/46/25/478724625.db2.gz VRHJJUQSCDPTTC-ZFWWWQNUSA-N 1 0 342.399 2.875 20 5 EFBDRO Cc1noc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595325806 478732046 /nfs/dbraw/zinc/73/20/46/478732046.db2.gz WYVMUNRHWMDXEO-ZFWWWQNUSA-N 1 0 336.436 2.978 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601224886 478733373 /nfs/dbraw/zinc/73/33/73/478733373.db2.gz CIZSYTJUOJUHAG-RNCFNFMXSA-N 1 0 326.784 2.805 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598265496 478733358 /nfs/dbraw/zinc/73/33/58/478733358.db2.gz TZEZEKOBEHSOBM-JCGIZDLHSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1noc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595329766 478734769 /nfs/dbraw/zinc/73/47/69/478734769.db2.gz IKLHSPJXYFEGFN-AWEZNQCLSA-N 1 0 344.415 2.988 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491911103 478734887 /nfs/dbraw/zinc/73/48/87/478734887.db2.gz COEGATYWLVKJFP-GQCTYLIASA-N 1 0 349.406 2.985 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491923273 478738666 /nfs/dbraw/zinc/73/86/66/478738666.db2.gz BKNBWVRUHKXWEO-CDNLZTBQSA-N 1 0 331.416 2.798 20 5 EFBDRO Cc1noc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595403436 478763002 /nfs/dbraw/zinc/76/30/02/478763002.db2.gz FICDEHCIIIZRBC-KGLIPLIRSA-N 1 0 344.415 2.986 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295649 478770691 /nfs/dbraw/zinc/77/06/91/478770691.db2.gz ZEKHCRXWXWHIPC-SKDRFNHKSA-N 1 0 329.282 2.641 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601295534 478770777 /nfs/dbraw/zinc/77/07/77/478770777.db2.gz WZEYSVHHJHAVDC-GWCFXTLKSA-N 1 0 343.309 2.949 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)C1 ZINC000598341410 478774759 /nfs/dbraw/zinc/77/47/59/478774759.db2.gz AZAGTRGGWKZRLT-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300654 478775181 /nfs/dbraw/zinc/77/51/81/478775181.db2.gz ISPKZEXENZBBDH-IGJMFERPSA-N 1 0 336.310 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500583343 478793235 /nfs/dbraw/zinc/79/32/35/478793235.db2.gz PICYEPLVUWKUCX-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601353908 478798701 /nfs/dbraw/zinc/79/87/01/478798701.db2.gz IYSHIPOYZDSSRS-IUODEOHRSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601353907 478799054 /nfs/dbraw/zinc/79/90/54/478799054.db2.gz IYSHIPOYZDSSRS-DOMZBBRYSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595474510 478805197 /nfs/dbraw/zinc/80/51/97/478805197.db2.gz VNEZGUIOLZBNSO-INIZCTEOSA-N 1 0 346.431 2.516 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595474899 478806523 /nfs/dbraw/zinc/80/65/23/478806523.db2.gz HXTNFEUAANYWPH-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000564792388 478812764 /nfs/dbraw/zinc/81/27/64/478812764.db2.gz FFAKXIBLIPIKAL-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCOCC2 ZINC000592182956 478814720 /nfs/dbraw/zinc/81/47/20/478814720.db2.gz DUAYLRPDHMLBLZ-GFCCVEGCSA-N 1 0 330.388 2.862 20 5 EFBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595493553 478818213 /nfs/dbraw/zinc/81/82/13/478818213.db2.gz SHQGAQJULHJKNV-OAGGEKHMSA-N 1 0 343.383 2.896 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000564812396 478819012 /nfs/dbraw/zinc/81/90/12/478819012.db2.gz MMIMHHZOEAZJSV-XLMAVXFVSA-N 1 0 342.399 2.523 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000595498604 478820704 /nfs/dbraw/zinc/82/07/04/478820704.db2.gz GIJVXNWWSBUSQG-QGZVFWFLSA-N 1 0 345.399 2.718 20 5 EFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592200882 478824110 /nfs/dbraw/zinc/82/41/10/478824110.db2.gz RIJWJLJFOCNKND-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000592200692 478825370 /nfs/dbraw/zinc/82/53/70/478825370.db2.gz CVFFPOUKDJIXBA-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO CC[C@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C)c1 ZINC000502590036 478825327 /nfs/dbraw/zinc/82/53/27/478825327.db2.gz BKNDJSXXBFTTKN-HNAYVOBHSA-N 1 0 341.411 2.980 20 5 EFBDRO CC(C)C[NH2+]C1(CO)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000595512809 478828966 /nfs/dbraw/zinc/82/89/66/478828966.db2.gz ZAUMIXBFKKOGIY-HNNXBMFYSA-N 1 0 335.448 2.728 20 5 EFBDRO CC(C)CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564849611 478830274 /nfs/dbraw/zinc/83/02/74/478830274.db2.gz NJYCHLLBGNIJML-UHFFFAOYSA-N 1 0 340.445 2.784 20 5 EFBDRO Cc1noc(CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595519209 478831184 /nfs/dbraw/zinc/83/11/84/478831184.db2.gz DQTVWQYQEWCYFN-AWEZNQCLSA-N 1 0 344.415 2.845 20 5 EFBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000595527553 478835111 /nfs/dbraw/zinc/83/51/11/478835111.db2.gz VBIPZXHXEGCOCD-SOLBZPMBSA-N 1 0 347.459 2.883 20 5 EFBDRO CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592244236 478838442 /nfs/dbraw/zinc/83/84/42/478838442.db2.gz FUIGWSNNDRJPFQ-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592241755 478839119 /nfs/dbraw/zinc/83/91/19/478839119.db2.gz HANSCXKGLWBSEG-GFCCVEGCSA-N 1 0 345.321 2.684 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595534579 478839430 /nfs/dbraw/zinc/83/94/30/478839430.db2.gz COVYXMGVEGDNAL-LBPRGKRZSA-N 1 0 325.384 2.659 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254354 478842400 /nfs/dbraw/zinc/84/24/00/478842400.db2.gz WRYAWKPITLMBAX-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592254274 478842436 /nfs/dbraw/zinc/84/24/36/478842436.db2.gz BKCHALINDLQUPQ-IAGOWNOFSA-N 1 0 345.443 2.684 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592253202 478842685 /nfs/dbraw/zinc/84/26/85/478842685.db2.gz ATXWNKFSNPOETH-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000592286035 478853578 /nfs/dbraw/zinc/85/35/78/478853578.db2.gz GWLJFIACTWTPRJ-LLVKDONJSA-N 1 0 335.429 2.803 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568555 478861362 /nfs/dbraw/zinc/86/13/62/478861362.db2.gz WDFCZKIFUGHILB-XUJVJEKNSA-N 1 0 333.388 2.805 20 5 EFBDRO O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000598509138 478869397 /nfs/dbraw/zinc/86/93/97/478869397.db2.gz IZEQUKJPZUWYKG-QGZVFWFLSA-N 1 0 325.368 2.599 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000583560193 478880136 /nfs/dbraw/zinc/88/01/36/478880136.db2.gz YYVZGOTXKOXDBP-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000598537194 478884618 /nfs/dbraw/zinc/88/46/18/478884618.db2.gz BFUUCPGWZGGKGF-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598537865 478884819 /nfs/dbraw/zinc/88/48/19/478884819.db2.gz QXUGITBAWBJPOU-UHFFFAOYSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598538151 478884933 /nfs/dbraw/zinc/88/49/33/478884933.db2.gz YQVYLVKFEHZHPV-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598541035 478886862 /nfs/dbraw/zinc/88/68/62/478886862.db2.gz MTUVGOQWLYSMGQ-UHFFFAOYSA-N 1 0 349.406 2.515 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000545163827 478890679 /nfs/dbraw/zinc/89/06/79/478890679.db2.gz WHROGHJBCVSICK-GFCCVEGCSA-N 1 0 337.395 2.612 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598559427 478893623 /nfs/dbraw/zinc/89/36/23/478893623.db2.gz HDRXUNLDUGWICV-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598569218 478901130 /nfs/dbraw/zinc/90/11/30/478901130.db2.gz BTFLRUJTTPZQNU-NVXWUHKLSA-N 1 0 333.432 2.620 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598573787 478904008 /nfs/dbraw/zinc/90/40/08/478904008.db2.gz ORJJDYGLZOCBIH-GFCCVEGCSA-N 1 0 345.321 2.684 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[NH2+]1 ZINC000598576731 478905786 /nfs/dbraw/zinc/90/57/86/478905786.db2.gz ZAQUQRVGXAGKFS-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO COc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583651959 478908446 /nfs/dbraw/zinc/90/84/46/478908446.db2.gz WRRKECNHMCFHRF-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000572735202 478909395 /nfs/dbraw/zinc/90/93/95/478909395.db2.gz QXPOJUUVXXISGM-XJKCOSOUSA-N 1 0 331.416 2.819 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231436 478910478 /nfs/dbraw/zinc/91/04/78/478910478.db2.gz MFPFTARJEJWFMU-RISCZKNCSA-N 1 0 347.337 2.509 20 5 EFBDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231435 478910508 /nfs/dbraw/zinc/91/05/08/478910508.db2.gz MFPFTARJEJWFMU-FZMZJTMJSA-N 1 0 347.337 2.509 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778439 478917806 /nfs/dbraw/zinc/91/78/06/478917806.db2.gz IQZAWIIHYFLLTB-HNNXBMFYSA-N 1 0 335.448 2.789 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000492300556 478918181 /nfs/dbraw/zinc/91/81/81/478918181.db2.gz GIDQHGXXKCSCHV-KEGWNNHHSA-N 1 0 343.427 2.798 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000595656569 478918627 /nfs/dbraw/zinc/91/86/27/478918627.db2.gz CGOOVRSGCVQGIN-SFHVURJKSA-N 1 0 342.395 2.701 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778440 478918646 /nfs/dbraw/zinc/91/86/46/478918646.db2.gz IQZAWIIHYFLLTB-OAHLLOKOSA-N 1 0 335.448 2.789 20 5 EFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670665 478925908 /nfs/dbraw/zinc/92/59/08/478925908.db2.gz HVQLMQMOOAEFGS-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670618 478926875 /nfs/dbraw/zinc/92/68/75/478926875.db2.gz GIEXPCTWFXHECS-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)OCCO2 ZINC000592520276 478927462 /nfs/dbraw/zinc/92/74/62/478927462.db2.gz JLHZORWFQQNBKM-CQSZACIVSA-N 1 0 341.367 2.751 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595673135 478927645 /nfs/dbraw/zinc/92/76/45/478927645.db2.gz KNEQYQGCQUVPGI-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492323382 478930863 /nfs/dbraw/zinc/93/08/63/478930863.db2.gz YSCUNMAJYRDPAA-GQCTYLIASA-N 1 0 347.390 2.834 20 5 EFBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCC2)O1 ZINC000592527534 478933721 /nfs/dbraw/zinc/93/37/21/478933721.db2.gz BQTJVRWNYOASNS-GFCCVEGCSA-N 1 0 334.372 2.509 20 5 EFBDRO CCOC(=O)c1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000583784958 478939771 /nfs/dbraw/zinc/93/97/71/478939771.db2.gz FHDXADKLTPIWFM-WCQYABFASA-N 1 0 333.388 2.809 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554085 478941002 /nfs/dbraw/zinc/94/10/02/478941002.db2.gz CEGCZXBRWUBMJB-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1CO ZINC000598647053 478942700 /nfs/dbraw/zinc/94/27/00/478942700.db2.gz MXNXRVKKYCKYHA-OCCSQVGLSA-N 1 0 331.372 2.700 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592568296 478943936 /nfs/dbraw/zinc/94/39/36/478943936.db2.gz MHGNPDGTDNSACO-LBPRGKRZSA-N 1 0 329.356 2.746 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592568983 478944042 /nfs/dbraw/zinc/94/40/42/478944042.db2.gz TXUSYIZWNSYNKY-LBPRGKRZSA-N 1 0 340.383 2.548 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595701847 478944497 /nfs/dbraw/zinc/94/44/97/478944497.db2.gz GRSZKQHWTKPVJW-HNNXBMFYSA-N 1 0 348.447 2.652 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568730 478944408 /nfs/dbraw/zinc/94/44/08/478944408.db2.gz OKYZLXWGVHVILF-AWEZNQCLSA-N 1 0 331.416 2.925 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568734 478944943 /nfs/dbraw/zinc/94/49/43/478944943.db2.gz OKYZLXWGVHVILF-CQSZACIVSA-N 1 0 331.416 2.925 20 5 EFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601676054 478945548 /nfs/dbraw/zinc/94/55/48/478945548.db2.gz SAUGBILCHYIPAB-UHFFFAOYSA-N 1 0 335.379 2.586 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598668292 478955792 /nfs/dbraw/zinc/95/57/92/478955792.db2.gz SDHVVJOKVLSFSQ-YGRLFVJLSA-N 1 0 343.305 2.567 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(Cc2ccsc2)C1 ZINC000598705952 478982830 /nfs/dbraw/zinc/98/28/30/478982830.db2.gz NVFAXZUNLFWVIX-HNNXBMFYSA-N 1 0 348.424 2.571 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCOc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000573110894 478994200 /nfs/dbraw/zinc/99/42/00/478994200.db2.gz JAFSHDNQXCJZOP-UHFFFAOYSA-N 1 0 330.340 2.535 20 5 EFBDRO COc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000584099608 479014223 /nfs/dbraw/zinc/01/42/23/479014223.db2.gz OVEZIPRVZFVAKO-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514669289 479045971 /nfs/dbraw/zinc/04/59/71/479045971.db2.gz ZHPHZIQDGMOEGS-CABCVRRESA-N 1 0 348.447 2.633 20 5 EFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565654565 479054175 /nfs/dbraw/zinc/05/41/75/479054175.db2.gz MHXDOSYPTGAOEB-KGLIPLIRSA-N 1 0 340.445 2.784 20 5 EFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000592828753 479063632 /nfs/dbraw/zinc/06/36/32/479063632.db2.gz JAABYUDLYUTFQX-CQSZACIVSA-N 1 0 339.823 2.733 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595908717 479064026 /nfs/dbraw/zinc/06/40/26/479064026.db2.gz KBBYQFZPMLTJKL-NEPJUHHUSA-N 1 0 335.404 2.908 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000595914899 479069688 /nfs/dbraw/zinc/06/96/88/479069688.db2.gz GJRNNFQQTIOSAM-UHFFFAOYSA-N 1 0 331.397 2.574 20 5 EFBDRO Cn1ccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000546936464 479082572 /nfs/dbraw/zinc/08/25/72/479082572.db2.gz ZYEFUWZUCDDJNS-YOEHRIQHSA-N 1 0 328.416 2.872 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914535 479084859 /nfs/dbraw/zinc/08/48/59/479084859.db2.gz GZAXFWDFGRPRQD-UWVGGRQHSA-N 1 0 326.784 2.839 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915757 479085133 /nfs/dbraw/zinc/08/51/33/479085133.db2.gz OAUCBMOKNYKTCZ-NSHDSACASA-N 1 0 326.784 2.854 20 5 EFBDRO CC(C)(NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000595968296 479085405 /nfs/dbraw/zinc/08/54/05/479085405.db2.gz XFFXPUTUQYZBPM-UHFFFAOYSA-N 1 0 345.424 2.967 20 5 EFBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000595982233 479087657 /nfs/dbraw/zinc/08/76/57/479087657.db2.gz CAPOYULNTYRHEK-NSHDSACASA-N 1 0 337.445 2.967 20 5 EFBDRO CCN(Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1)C1CC1 ZINC000547176808 479091845 /nfs/dbraw/zinc/09/18/45/479091845.db2.gz XFJBCDONBDHWID-UHFFFAOYSA-N 1 0 332.360 2.562 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598971693 479107408 /nfs/dbraw/zinc/10/74/08/479107408.db2.gz BDLRDBNQULUKJI-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598971690 479108160 /nfs/dbraw/zinc/10/81/60/479108160.db2.gz BDLRDBNQULUKJI-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601981784 479109273 /nfs/dbraw/zinc/10/92/73/479109273.db2.gz YHQRAFGJUJLACC-GOEBONIOSA-N 1 0 339.399 2.548 20 5 EFBDRO O=c1[nH]ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596055251 479111608 /nfs/dbraw/zinc/11/16/08/479111608.db2.gz UCRSDQSZUXZFDV-HNNXBMFYSA-N 1 0 328.372 2.944 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CCOCCF)o2)c([N+](=O)[O-])c1 ZINC000596057380 479112677 /nfs/dbraw/zinc/11/26/77/479112677.db2.gz NRIWLGZRQZBXOV-UHFFFAOYSA-N 1 0 338.335 2.939 20 5 EFBDRO CCn1nccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596061221 479113961 /nfs/dbraw/zinc/11/39/61/479113961.db2.gz HAPNVFSEWZGSEI-UHFFFAOYSA-N 1 0 340.387 2.502 20 5 EFBDRO O=c1[nH]ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596065197 479116950 /nfs/dbraw/zinc/11/69/50/479116950.db2.gz GGGVRAIQKLHSCH-UHFFFAOYSA-N 1 0 346.362 2.547 20 5 EFBDRO O=c1[nH]ccc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596067104 479118964 /nfs/dbraw/zinc/11/89/64/479118964.db2.gz LVHVZPQMQGCGQR-UHFFFAOYSA-N 1 0 328.372 2.903 20 5 EFBDRO C[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515115630 479119717 /nfs/dbraw/zinc/11/97/17/479119717.db2.gz ARMHUXXESXBWIG-KGLIPLIRSA-N 1 0 333.432 2.887 20 5 EFBDRO CC(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596070568 479120643 /nfs/dbraw/zinc/12/06/43/479120643.db2.gz RUSRQCDTTMQNRY-INIZCTEOSA-N 1 0 345.403 2.776 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593018529 479126973 /nfs/dbraw/zinc/12/69/73/479126973.db2.gz LWHUEBHMPRAPBL-UHFFFAOYSA-N 1 0 337.395 2.608 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c(F)c1 ZINC000599023475 479129651 /nfs/dbraw/zinc/12/96/51/479129651.db2.gz SRCVIGHYAFGGAN-QGZVFWFLSA-N 1 0 348.374 2.791 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)cs1 ZINC000599021658 479129966 /nfs/dbraw/zinc/12/99/66/479129966.db2.gz DBJKUSWPUUEFAI-OAHLLOKOSA-N 1 0 336.413 2.714 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090004 479131711 /nfs/dbraw/zinc/13/17/11/479131711.db2.gz SUBITTJVPUUZQF-JSGCOSHPSA-N 1 0 328.372 2.943 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596093131 479133449 /nfs/dbraw/zinc/13/34/49/479133449.db2.gz SBFQXCOXHCMXGO-HNNXBMFYSA-N 1 0 346.387 2.782 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596104753 479140738 /nfs/dbraw/zinc/14/07/38/479140738.db2.gz MVSVHODRWCVQMD-GFCCVEGCSA-N 1 0 334.420 2.616 20 5 EFBDRO CCn1nncc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599061215 479144095 /nfs/dbraw/zinc/14/40/95/479144095.db2.gz LLLZXTOVQHEYHG-XJKSGUPXSA-N 1 0 329.404 2.707 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593056932 479148964 /nfs/dbraw/zinc/14/89/64/479148964.db2.gz BMGWDODWSQFXEK-GDBMZVCRSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000599075018 479150547 /nfs/dbraw/zinc/15/05/47/479150547.db2.gz ZWMZDIIHUZNNFK-CXMBCZLWSA-N 1 0 329.356 2.876 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063184 479152094 /nfs/dbraw/zinc/15/20/94/479152094.db2.gz RCFZKVGQNPSLIO-TZMCWYRMSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)CO1 ZINC000593063270 479153507 /nfs/dbraw/zinc/15/35/07/479153507.db2.gz SYMNKPKNOPYHDT-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CC[C@H]2C3)nc1-c1ccc(F)cc1 ZINC000599084119 479155274 /nfs/dbraw/zinc/15/52/74/479155274.db2.gz RZBBHIOJOZDTKL-AWEZNQCLSA-N 1 0 328.347 2.690 20 5 EFBDRO CN(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000599090871 479157837 /nfs/dbraw/zinc/15/78/37/479157837.db2.gz SUNBKHCKLQPWBF-CQSZACIVSA-N 1 0 327.375 2.702 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000593078880 479161140 /nfs/dbraw/zinc/16/11/40/479161140.db2.gz CLQFMDIHBQNBQX-LLVKDONJSA-N 1 0 333.388 2.853 20 5 EFBDRO C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596144746 479162623 /nfs/dbraw/zinc/16/26/23/479162623.db2.gz MQYJGWSTVPRJRD-CQSZACIVSA-N 1 0 342.399 2.796 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000596146070 479162967 /nfs/dbraw/zinc/16/29/67/479162967.db2.gz KWYKLXKQXUUEFL-IAQYHMDHSA-N 1 0 347.444 2.550 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000610722169 479166266 /nfs/dbraw/zinc/16/62/66/479166266.db2.gz SFXRIZVNLHTSPV-OAHLLOKOSA-N 1 0 334.420 2.611 20 5 EFBDRO CC[C@@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000602983799 479178406 /nfs/dbraw/zinc/17/84/06/479178406.db2.gz UKHRVPNFKKPUOU-QGZVFWFLSA-N 1 0 331.372 2.987 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000573931336 479179269 /nfs/dbraw/zinc/17/92/69/479179269.db2.gz RTLROVWHFRJSNC-HNNXBMFYSA-N 1 0 343.383 2.867 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602106626 479179710 /nfs/dbraw/zinc/17/97/10/479179710.db2.gz DRRZKNBXFZKJAY-HOCLYGCPSA-N 1 0 335.429 2.653 20 5 EFBDRO Cc1c(NC(=O)CCN(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593112602 479180923 /nfs/dbraw/zinc/18/09/23/479180923.db2.gz QQRSAPBOECGJTR-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610769696 479181997 /nfs/dbraw/zinc/18/19/97/479181997.db2.gz GWXBFJULKXRIMM-LLVKDONJSA-N 1 0 341.209 2.649 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569810090 479182544 /nfs/dbraw/zinc/18/25/44/479182544.db2.gz FNGIRBLGMNVQEI-LLVKDONJSA-N 1 0 343.811 2.520 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574903 479183009 /nfs/dbraw/zinc/18/30/09/479183009.db2.gz HSTHZCVWASFHMV-DZGCQCFKSA-N 1 0 334.420 2.700 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599157104 479185551 /nfs/dbraw/zinc/18/55/51/479185551.db2.gz NZFVNYAFYUUEAZ-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000602997157 479185877 /nfs/dbraw/zinc/18/58/77/479185877.db2.gz DMFRTZPUZAENIS-ULQDDVLXSA-N 1 0 348.399 2.587 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000602997474 479186132 /nfs/dbraw/zinc/18/61/32/479186132.db2.gz KWJWSMDMYZXHGN-ZACQAIPSSA-N 1 0 347.415 2.549 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000602997022 479186252 /nfs/dbraw/zinc/18/62/52/479186252.db2.gz AWBSXKISGUDKJE-UNEWFSDZSA-N 1 0 347.415 2.549 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000602998079 479189049 /nfs/dbraw/zinc/18/90/49/479189049.db2.gz WWQIKBXCOHDWMD-NOLJZWGESA-N 1 0 338.379 2.868 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000610798739 479192086 /nfs/dbraw/zinc/19/20/86/479192086.db2.gz WPVVRTPEWIAWFA-ZDUSSCGKSA-N 1 0 331.416 2.955 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C1CC1 ZINC000593129255 479195317 /nfs/dbraw/zinc/19/53/17/479195317.db2.gz GXCNCFGHRPIITE-UONOGXRCSA-N 1 0 338.791 2.879 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602151034 479204095 /nfs/dbraw/zinc/20/40/95/479204095.db2.gz MAFBHKGKJSEAPW-QGZVFWFLSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217295 479205123 /nfs/dbraw/zinc/20/51/23/479205123.db2.gz BWHDDYYDBGLTOV-SWLSCSKDSA-N 1 0 328.372 2.628 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602156565 479205544 /nfs/dbraw/zinc/20/55/44/479205544.db2.gz HBVFJDCLKPSZEW-OAHLLOKOSA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217292 479206214 /nfs/dbraw/zinc/20/62/14/479206214.db2.gz BWHDDYYDBGLTOV-DOMZBBRYSA-N 1 0 328.372 2.628 20 5 EFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000610856088 479209199 /nfs/dbraw/zinc/20/91/99/479209199.db2.gz GXYLGGZWRHTWJB-KGLIPLIRSA-N 1 0 325.434 2.836 20 5 EFBDRO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596231248 479212690 /nfs/dbraw/zinc/21/26/90/479212690.db2.gz OIQXFPIFADAYJQ-SMDDNHRTSA-N 1 0 346.387 2.828 20 5 EFBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596231246 479213001 /nfs/dbraw/zinc/21/30/01/479213001.db2.gz OIQXFPIFADAYJQ-FZMZJTMJSA-N 1 0 346.387 2.828 20 5 EFBDRO Cc1c(Br)c(N2CC[C@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000596244357 479221012 /nfs/dbraw/zinc/22/10/12/479221012.db2.gz PHJLNJCRYIGGRX-ZJUUUORDSA-N 1 0 343.225 2.590 20 5 EFBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596246713 479222931 /nfs/dbraw/zinc/22/29/31/479222931.db2.gz YDFYYYOMWFYKFS-XJKSGUPXSA-N 1 0 341.415 2.889 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000556842658 479223221 /nfs/dbraw/zinc/22/32/21/479223221.db2.gz IZRMYLZDYUTPFM-SECBINFHSA-N 1 0 330.310 2.905 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000556860025 479228896 /nfs/dbraw/zinc/22/88/96/479228896.db2.gz TXZWKWJWHVWNFK-APWZRJJASA-N 1 0 342.395 2.920 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593187910 479229064 /nfs/dbraw/zinc/22/90/64/479229064.db2.gz RPZWVQIDKKLOFI-FRRDWIJNSA-N 1 0 334.420 2.580 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593189262 479229888 /nfs/dbraw/zinc/22/98/88/479229888.db2.gz ZIYFAJCYNNXZND-HBNTYKKESA-N 1 0 325.796 2.801 20 5 EFBDRO CSc1cccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189293 479230451 /nfs/dbraw/zinc/23/04/51/479230451.db2.gz KKEPZFLNYYVFLK-IJLUTSLNSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593190527 479231715 /nfs/dbraw/zinc/23/17/15/479231715.db2.gz MFZQFBFUPLRLBP-NBPCOJJXSA-N 1 0 331.416 2.638 20 5 EFBDRO C[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315194 479289570 /nfs/dbraw/zinc/28/95/70/479289570.db2.gz XTDWJWFHRWCWSU-AWEZNQCLSA-N 1 0 334.420 2.783 20 5 EFBDRO C[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593315196 479289594 /nfs/dbraw/zinc/28/95/94/479289594.db2.gz XTDWJWFHRWCWSU-CQSZACIVSA-N 1 0 334.420 2.783 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C[NH3+])cc1F ZINC000593315823 479289695 /nfs/dbraw/zinc/28/96/95/479289695.db2.gz FHVTVINAMAOABY-UHFFFAOYSA-N 1 0 333.363 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cn1 ZINC000585117553 479291567 /nfs/dbraw/zinc/29/15/67/479291567.db2.gz LFVPTGOXHDNDMO-DOTOQJQBSA-N 1 0 346.431 2.506 20 5 EFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000596428642 479291905 /nfs/dbraw/zinc/29/19/05/479291905.db2.gz FZWNAGAIRTTWLP-ZDUSSCGKSA-N 1 0 334.420 2.583 20 5 EFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[NH+](C)C ZINC000596433277 479293206 /nfs/dbraw/zinc/29/32/06/479293206.db2.gz TURSKUQYWFIWQQ-CQSZACIVSA-N 1 0 344.415 2.743 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000596463163 479306253 /nfs/dbraw/zinc/30/62/53/479306253.db2.gz VZBOCTYEQYFMBI-CQSZACIVSA-N 1 0 332.429 2.805 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195875 479307657 /nfs/dbraw/zinc/30/76/57/479307657.db2.gz CILGJHNOXFOHHT-LBPRGKRZSA-N 1 0 342.399 2.823 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000603217153 479308431 /nfs/dbraw/zinc/30/84/31/479308431.db2.gz WIHVTHZJDRBOKS-UHFFFAOYSA-N 1 0 349.822 2.916 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611197936 479309522 /nfs/dbraw/zinc/30/95/22/479309522.db2.gz YEFZPCDWUCYJNA-LBPRGKRZSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611205222 479310269 /nfs/dbraw/zinc/31/02/69/479310269.db2.gz OECLQSIQGJJXSO-UONOGXRCSA-N 1 0 335.404 2.589 20 5 EFBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596481114 479312539 /nfs/dbraw/zinc/31/25/39/479312539.db2.gz XKMOUWHFHGRZCO-CYBMUJFWSA-N 1 0 332.404 2.513 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC[NH+](C)CC1 ZINC000611223415 479315856 /nfs/dbraw/zinc/31/58/56/479315856.db2.gz OOZGQYURXQDGQH-GFCCVEGCSA-N 1 0 342.399 2.603 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000596501369 479319159 /nfs/dbraw/zinc/31/91/59/479319159.db2.gz NRPOXLFBBFEDBM-ZDUSSCGKSA-N 1 0 326.784 2.710 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000599516069 479319881 /nfs/dbraw/zinc/31/98/81/479319881.db2.gz LZYLVZPWMPLCHY-CYBMUJFWSA-N 1 0 336.342 2.949 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516729 479320106 /nfs/dbraw/zinc/32/01/06/479320106.db2.gz XQXNYBLOGOROGM-CYBMUJFWSA-N 1 0 336.342 2.949 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000593391391 479322295 /nfs/dbraw/zinc/32/22/95/479322295.db2.gz LEOZQIDPPFZTTJ-UHFFFAOYSA-N 1 0 325.384 2.511 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593390303 479322377 /nfs/dbraw/zinc/32/23/77/479322377.db2.gz BBJUHQGUAAXTSY-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)OCCO2 ZINC000585768015 479323746 /nfs/dbraw/zinc/32/37/46/479323746.db2.gz UQOQDNAQRDSVMO-UHFFFAOYSA-N 1 0 348.399 2.759 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000611256578 479326575 /nfs/dbraw/zinc/32/65/75/479326575.db2.gz HIFFBDUIYBMRMD-CQSZACIVSA-N 1 0 344.415 2.854 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611266528 479328270 /nfs/dbraw/zinc/32/82/70/479328270.db2.gz SPFPAKBWROAMOO-UHFFFAOYSA-N 1 0 349.431 2.672 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611268468 479330377 /nfs/dbraw/zinc/33/03/77/479330377.db2.gz SWMNTISLJRXIMX-MJGOQNOKSA-N 1 0 347.459 2.749 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271840 479331762 /nfs/dbraw/zinc/33/17/62/479331762.db2.gz CHWOHYHQFUDYLY-CYBMUJFWSA-N 1 0 336.388 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4ncccc34)CC2)cn1 ZINC000602439595 479333289 /nfs/dbraw/zinc/33/32/89/479333289.db2.gz NVNAZDTXRBPXNH-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO COC(=O)c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000602439754 479333583 /nfs/dbraw/zinc/33/35/83/479333583.db2.gz MUDNQCVXJXFZOP-UHFFFAOYSA-N 1 0 343.383 2.885 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000596554215 479337058 /nfs/dbraw/zinc/33/70/58/479337058.db2.gz WSMNZCYQUZHXSZ-CYBMUJFWSA-N 1 0 343.412 2.990 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000611287853 479337947 /nfs/dbraw/zinc/33/79/47/479337947.db2.gz XNMYFQHFCCWONK-STQMWFEESA-N 1 0 329.425 2.975 20 5 EFBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000611303427 479343950 /nfs/dbraw/zinc/34/39/50/479343950.db2.gz LQJIHDRJQCJXQI-HOCLYGCPSA-N 1 0 334.416 2.847 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611336026 479350677 /nfs/dbraw/zinc/35/06/77/479350677.db2.gz PNXURSFQSFCSQF-HOCLYGCPSA-N 1 0 343.431 2.750 20 5 EFBDRO O=C(C[NH+]1CCC2(CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000586783252 479352316 /nfs/dbraw/zinc/35/23/16/479352316.db2.gz OJEMUJRKSGNEDZ-UHFFFAOYSA-N 1 0 329.400 2.750 20 5 EFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471815 479352415 /nfs/dbraw/zinc/35/24/15/479352415.db2.gz JEZVOPSNWLGGJQ-NSHDSACASA-N 1 0 345.321 2.572 20 5 EFBDRO COc1cccc(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471387 479352486 /nfs/dbraw/zinc/35/24/86/479352486.db2.gz CMPJDHRRPOWAMC-CQSZACIVSA-N 1 0 342.399 2.993 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599620101 479355023 /nfs/dbraw/zinc/35/50/23/479355023.db2.gz UUAMSKPTBZIIEP-UHFFFAOYSA-N 1 0 340.383 2.699 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(F)(F)C[C@@H]1C ZINC000599622454 479356372 /nfs/dbraw/zinc/35/63/72/479356372.db2.gz IOQQOVJVGFJMRU-NSHDSACASA-N 1 0 327.331 2.961 20 5 EFBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602482220 479361036 /nfs/dbraw/zinc/36/10/36/479361036.db2.gz OOUHLQWXOXDYSV-CQSZACIVSA-N 1 0 346.305 2.999 20 5 EFBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602482219 479361086 /nfs/dbraw/zinc/36/10/86/479361086.db2.gz OOUHLQWXOXDYSV-AWEZNQCLSA-N 1 0 346.305 2.999 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000611374342 479362385 /nfs/dbraw/zinc/36/23/85/479362385.db2.gz ORCUYMOZGKLONE-CHWSQXEVSA-N 1 0 334.420 2.685 20 5 EFBDRO O=[N+]([O-])c1ccn(CCN2CCc3cccc(C(F)(F)F)c3C2)n1 ZINC000599636067 479362763 /nfs/dbraw/zinc/36/27/63/479362763.db2.gz MSXAZHZJZKHQRR-UHFFFAOYSA-N 1 0 340.305 2.868 20 5 EFBDRO C[C@@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383425 479363366 /nfs/dbraw/zinc/36/33/66/479363366.db2.gz KHIWOZKOOAOOIQ-BEFAXECRSA-N 1 0 343.427 2.738 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2c(O)cccc2C1 ZINC000599645857 479366505 /nfs/dbraw/zinc/36/65/05/479366505.db2.gz GPRPNPMHSRMJIU-UHFFFAOYSA-N 1 0 341.367 2.606 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000593502406 479367831 /nfs/dbraw/zinc/36/78/31/479367831.db2.gz AVXRZSUBBIFWAE-UHFFFAOYSA-N 1 0 349.406 2.800 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000611397548 479368085 /nfs/dbraw/zinc/36/80/85/479368085.db2.gz QISZZNZWYHDEKI-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1cnc(N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000593505196 479369273 /nfs/dbraw/zinc/36/92/73/479369273.db2.gz UOGADMDQFRBWGP-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3F)CC2)cn1 ZINC000602500298 479370007 /nfs/dbraw/zinc/37/00/07/479370007.db2.gz YMOKPLPSLAOXKI-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO CC(C)N(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602507408 479373625 /nfs/dbraw/zinc/37/36/25/479373625.db2.gz IUCSIPLXTVNASV-UHFFFAOYSA-N 1 0 349.479 2.667 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602509756 479374721 /nfs/dbraw/zinc/37/47/21/479374721.db2.gz RVYMWWULDBNEAS-MRVPVSSYSA-N 1 0 345.222 2.794 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000603407464 479374793 /nfs/dbraw/zinc/37/47/93/479374793.db2.gz UCPDQHALFYCBPC-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO CCNC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602513249 479375931 /nfs/dbraw/zinc/37/59/31/479375931.db2.gz BGHUTFFBSCFGGN-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO CN(CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)(F)F ZINC000602515572 479377520 /nfs/dbraw/zinc/37/75/20/479377520.db2.gz PYLHYCVJIZJLNY-UHFFFAOYSA-N 1 0 346.309 2.710 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431690 479377871 /nfs/dbraw/zinc/37/78/71/479377871.db2.gz CLFYFDNMYITYKG-SJCJKPOMSA-N 1 0 347.371 2.948 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000599668539 479380321 /nfs/dbraw/zinc/38/03/21/479380321.db2.gz LBOSAHPZTQSSCS-SFHVURJKSA-N 1 0 340.379 2.910 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574971489 479380615 /nfs/dbraw/zinc/38/06/15/479380615.db2.gz XMNOGOAMMGPYRA-GJZGRUSLSA-N 1 0 333.432 2.935 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527748 479382665 /nfs/dbraw/zinc/38/26/65/479382665.db2.gz KRLZSMAASKFMSC-WFASDCNBSA-N 1 0 337.445 2.532 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000574982030 479382721 /nfs/dbraw/zinc/38/27/21/479382721.db2.gz BVXBTQNVOWNYQW-MRXNPFEDSA-N 1 0 343.383 2.813 20 5 EFBDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000602528996 479382876 /nfs/dbraw/zinc/38/28/76/479382876.db2.gz PTQIWHNINRGDFB-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565708 479399701 /nfs/dbraw/zinc/39/97/01/479399701.db2.gz RQINFRAHTBNQPL-GMSGAONNSA-N 1 0 337.239 2.915 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602541268 479388579 /nfs/dbraw/zinc/38/85/79/479388579.db2.gz PJEMRULYCKDARX-PWSUYJOCSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3CCC4)CC2)cn1 ZINC000593566340 479389630 /nfs/dbraw/zinc/38/96/30/479389630.db2.gz LIOGZIQZFASMLP-UHFFFAOYSA-N 1 0 338.411 2.801 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)nc1 ZINC000593575612 479391780 /nfs/dbraw/zinc/39/17/80/479391780.db2.gz IJMZAOLITUIFPM-CYBMUJFWSA-N 1 0 339.355 2.817 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547869 479393099 /nfs/dbraw/zinc/39/30/99/479393099.db2.gz JWKVGUPAXCFRNL-VIFPVBQESA-N 1 0 348.266 2.850 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)CCCCCC3)CC2)cn1 ZINC000602556182 479395649 /nfs/dbraw/zinc/39/56/49/479395649.db2.gz JDIQVJWYRKCMCB-UHFFFAOYSA-N 1 0 348.447 2.634 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602557371 479395923 /nfs/dbraw/zinc/39/59/23/479395923.db2.gz WLWHAUNYJXXSKV-SNVBAGLBSA-N 1 0 337.239 2.915 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cn1 ZINC000602561049 479397674 /nfs/dbraw/zinc/39/76/74/479397674.db2.gz QBJTWWYRAFMFLD-UHFFFAOYSA-N 1 0 330.432 2.984 20 5 EFBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000602562435 479398168 /nfs/dbraw/zinc/39/81/68/479398168.db2.gz SFCITXVOQNHBNK-OAHLLOKOSA-N 1 0 336.436 2.609 20 5 EFBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000602561955 479398350 /nfs/dbraw/zinc/39/83/50/479398350.db2.gz SFCITXVOQNHBNK-HNNXBMFYSA-N 1 0 336.436 2.609 20 5 EFBDRO CC1(C)CC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC(C)(C)[NH2+]1 ZINC000603514904 479398591 /nfs/dbraw/zinc/39/85/91/479398591.db2.gz XEUQJOQZDPDXBE-UHFFFAOYSA-N 1 0 345.403 2.510 20 5 EFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccncc1 ZINC000602564202 479398818 /nfs/dbraw/zinc/39/88/18/479398818.db2.gz QJCNJJGXEKYVMP-CQSZACIVSA-N 1 0 341.415 2.747 20 5 EFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602564344 479399999 /nfs/dbraw/zinc/39/99/99/479399999.db2.gz MACYAXWZBACSEH-OAHLLOKOSA-N 1 0 346.387 2.529 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000602568361 479400396 /nfs/dbraw/zinc/40/03/96/479400396.db2.gz LZRAUSPPJYODPB-CYBMUJFWSA-N 1 0 348.321 2.899 20 5 EFBDRO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000588159986 479400375 /nfs/dbraw/zinc/40/03/75/479400375.db2.gz TUGRCAGURYTRFM-AWEZNQCLSA-N 1 0 348.447 2.509 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000602568770 479400838 /nfs/dbraw/zinc/40/08/38/479400838.db2.gz MFENVOPEPIFDKK-LBPRGKRZSA-N 1 0 347.371 2.554 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602576213 479406088 /nfs/dbraw/zinc/40/60/88/479406088.db2.gz JXNFNCIHKMQSCM-VXGBXAGGSA-N 1 0 345.321 2.618 20 5 EFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000588215942 479406838 /nfs/dbraw/zinc/40/68/38/479406838.db2.gz UNBRQYNCHQGKON-INIZCTEOSA-N 1 0 349.431 2.602 20 5 EFBDRO COc1ccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C2CC2)cc1 ZINC000611544210 479411199 /nfs/dbraw/zinc/41/11/99/479411199.db2.gz HFLNBOPTPFULRW-UHFFFAOYSA-N 1 0 330.388 2.773 20 5 EFBDRO CCS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602584479 479411365 /nfs/dbraw/zinc/41/13/65/479411365.db2.gz CNUWGVRUDADTNZ-UHFFFAOYSA-N 1 0 348.424 2.721 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cn1 ZINC000602597898 479417353 /nfs/dbraw/zinc/41/73/53/479417353.db2.gz UAAJPCRSSQPERU-MRXNPFEDSA-N 1 0 334.420 2.507 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602599441 479417495 /nfs/dbraw/zinc/41/74/95/479417495.db2.gz OSBWYKARJYAKLT-HOMQSWHASA-N 1 0 345.321 2.861 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cn1 ZINC000602604391 479418540 /nfs/dbraw/zinc/41/85/40/479418540.db2.gz MQIHLCJHOVIOPK-HNNXBMFYSA-N 1 0 336.461 2.834 20 5 EFBDRO C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602606350 479419929 /nfs/dbraw/zinc/41/99/29/479419929.db2.gz CVDQQSBUBKNRGP-LSDHHAIUSA-N 1 0 348.447 2.753 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602606765 479420153 /nfs/dbraw/zinc/42/01/53/479420153.db2.gz WYIFYSFOGCOHHB-KBPBESRZSA-N 1 0 349.456 2.919 20 5 EFBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000593684802 479422485 /nfs/dbraw/zinc/42/24/85/479422485.db2.gz BBOHPPWXEVXODK-CYBMUJFWSA-N 1 0 343.383 2.813 20 5 EFBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000593687287 479423984 /nfs/dbraw/zinc/42/39/84/479423984.db2.gz LDJCITPLEORRMV-CYBMUJFWSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)CCF)cs2)c1 ZINC000593690309 479424266 /nfs/dbraw/zinc/42/42/66/479424266.db2.gz WVXFKXGDLBIKGU-LLVKDONJSA-N 1 0 325.365 2.528 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)o1 ZINC000593691272 479424295 /nfs/dbraw/zinc/42/42/95/479424295.db2.gz SUIOMDDDZMHFRA-GOSISDBHSA-N 1 0 346.383 2.876 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@@H]3CCCCO3)CC2)cn1 ZINC000602617327 479425365 /nfs/dbraw/zinc/42/53/65/479425365.db2.gz NRNHSYGHVPRUHW-KRWDZBQOSA-N 1 0 348.447 2.898 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCC(O)CC2)cc1Br ZINC000602620514 479429124 /nfs/dbraw/zinc/42/91/24/479429124.db2.gz LBRGLQCAJUTMJG-UHFFFAOYSA-N 1 0 335.223 2.812 20 5 EFBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611617968 479430887 /nfs/dbraw/zinc/43/08/87/479430887.db2.gz KMAAXCKTMPGMST-CQSZACIVSA-N 1 0 333.413 2.835 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593721271 479434507 /nfs/dbraw/zinc/43/45/07/479434507.db2.gz PLNYFJICKJDGRG-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CC[NH3+] ZINC000593733363 479438015 /nfs/dbraw/zinc/43/80/15/479438015.db2.gz LWSDGMRJMXOKNJ-IUODEOHRSA-N 1 0 345.403 2.594 20 5 EFBDRO COc1cccc(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602641393 479443368 /nfs/dbraw/zinc/44/33/68/479443368.db2.gz QUFSRCAEGQQZEM-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000611700666 479449696 /nfs/dbraw/zinc/44/96/96/479449696.db2.gz BZAUIKRHZHUJEN-OAHLLOKOSA-N 1 0 343.412 2.736 20 5 EFBDRO CCC(CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000611701691 479450566 /nfs/dbraw/zinc/45/05/66/479450566.db2.gz LGGUMXYCUFKVRB-MRXNPFEDSA-N 1 0 331.420 2.738 20 5 EFBDRO COCCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602656814 479453176 /nfs/dbraw/zinc/45/31/76/479453176.db2.gz OCQKQQFCGFGRBC-UHFFFAOYSA-N 1 0 349.353 2.624 20 5 EFBDRO CCC[NH+]1CCC(N(C)c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611711638 479453525 /nfs/dbraw/zinc/45/35/25/479453525.db2.gz YQOHFVVKOPITHS-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1COc3ccccc31)OCCO2 ZINC000588934463 479460711 /nfs/dbraw/zinc/46/07/11/479460711.db2.gz ZQCKKRVQHPKAOO-CYBMUJFWSA-N 1 0 342.351 2.632 20 5 EFBDRO CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602675948 479468375 /nfs/dbraw/zinc/46/83/75/479468375.db2.gz XMZSDTIJSASCIU-CJNGLKHVSA-N 1 0 336.436 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCC3(F)F)CC2)cn1 ZINC000602684865 479475208 /nfs/dbraw/zinc/47/52/08/479475208.db2.gz KCVRAQZJWRMAHQ-GFCCVEGCSA-N 1 0 340.374 2.984 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC3CCCC3)CC2)cn1 ZINC000602687305 479476858 /nfs/dbraw/zinc/47/68/58/479476858.db2.gz KJTNUNFWRXRUPV-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602687098 479477411 /nfs/dbraw/zinc/47/74/11/479477411.db2.gz IFAGPYVAEZKJEX-MRXNPFEDSA-N 1 0 330.384 2.512 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000589107373 479478979 /nfs/dbraw/zinc/47/89/79/479478979.db2.gz SEXCKOBGZIQTGT-ZDUSSCGKSA-N 1 0 338.770 2.919 20 5 EFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000602695162 479481846 /nfs/dbraw/zinc/48/18/46/479481846.db2.gz FBNNLKZQEMFMQB-INIZCTEOSA-N 1 0 347.440 2.883 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000604198258 479483768 /nfs/dbraw/zinc/48/37/68/479483768.db2.gz DWCNJVJEYYLCAM-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO CON1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602698232 479484003 /nfs/dbraw/zinc/48/40/03/479484003.db2.gz MMGFLJMEQPGJLH-UHFFFAOYSA-N 1 0 333.310 2.729 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000604266857 479493931 /nfs/dbraw/zinc/49/39/31/479493931.db2.gz BCQMZLKMRPNCFR-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO [NH3+]CCN(Cc1nc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000589191409 479494892 /nfs/dbraw/zinc/49/48/92/479494892.db2.gz WORIYGDEQNCSCX-UHFFFAOYSA-N 1 0 332.429 2.895 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000602713007 479496662 /nfs/dbraw/zinc/49/66/62/479496662.db2.gz XRWOQPAWGVVVEY-ZFWWWQNUSA-N 1 0 330.388 2.843 20 5 EFBDRO CCC1(O)CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618571495 479496726 /nfs/dbraw/zinc/49/67/26/479496726.db2.gz XHGKYRILZROTDZ-DGNOSDGRSA-N 1 0 336.436 2.948 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593883500 479497258 /nfs/dbraw/zinc/49/72/58/479497258.db2.gz NPIYTPRAFOJQGH-UHFFFAOYSA-N 1 0 339.823 2.735 20 5 EFBDRO O=C([C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000589205475 479499050 /nfs/dbraw/zinc/49/90/50/479499050.db2.gz SCNIJEPIRZNGCQ-WRLNGNIRSA-N 1 0 329.400 2.552 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000589209370 479499811 /nfs/dbraw/zinc/49/98/11/479499811.db2.gz IZAHOYFAGGILBK-HNNXBMFYSA-N 1 0 348.399 2.769 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)CC2CC2)cc1Br ZINC000602718208 479501529 /nfs/dbraw/zinc/50/15/29/479501529.db2.gz QWLCIKPAXWIZLI-SECBINFHSA-N 1 0 349.250 2.917 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593915702 479507915 /nfs/dbraw/zinc/50/79/15/479507915.db2.gz KEWPSTWZTCTXHR-YGRLFVJLSA-N 1 0 325.796 2.838 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000575944158 479508284 /nfs/dbraw/zinc/50/82/84/479508284.db2.gz ZJLPTLUEYCUZAY-MRXNPFEDSA-N 1 0 346.383 2.523 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593916841 479508964 /nfs/dbraw/zinc/50/89/64/479508964.db2.gz SJBWSZKGZYBVEI-WBMJQRKESA-N 1 0 346.431 2.759 20 5 EFBDRO C[NH+](C)CCN(c1ncnc2sc([N+](=O)[O-])cc21)C1CCCC1 ZINC000575978089 479513737 /nfs/dbraw/zinc/51/37/37/479513737.db2.gz WITPQXBKPYLFEZ-UHFFFAOYSA-N 1 0 335.433 2.910 20 5 EFBDRO NC(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000589344784 479516321 /nfs/dbraw/zinc/51/63/21/479516321.db2.gz GONCRYYSVCYWFY-GOSISDBHSA-N 1 0 339.395 2.790 20 5 EFBDRO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)s1 ZINC000604436018 479518955 /nfs/dbraw/zinc/51/89/55/479518955.db2.gz VJWRTEJILDSWJC-UHFFFAOYSA-N 1 0 332.429 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cn1 ZINC000600108506 479519736 /nfs/dbraw/zinc/51/97/36/479519736.db2.gz BQOZHZVVVOWYRG-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000611935377 479525158 /nfs/dbraw/zinc/52/51/58/479525158.db2.gz VNDYZQHVNJUUCD-KRWDZBQOSA-N 1 0 343.431 2.608 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938969 479526947 /nfs/dbraw/zinc/52/69/47/479526947.db2.gz DCZVIHLHPZGXGG-STQMWFEESA-N 1 0 328.372 2.976 20 5 EFBDRO O=C(CC1CCCC1)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052817 479528458 /nfs/dbraw/zinc/52/84/58/479528458.db2.gz VWIMLQQOCNQBFW-INIZCTEOSA-N 1 0 331.416 2.868 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611940352 479528990 /nfs/dbraw/zinc/52/89/90/479528990.db2.gz YQVSBDLZURKRLI-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO COc1ccc(CCC[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602761926 479534110 /nfs/dbraw/zinc/53/41/10/479534110.db2.gz CBQCVCRVNGXDGS-UHFFFAOYSA-N 1 0 332.404 2.673 20 5 EFBDRO Cc1ccc(C)n1C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602772558 479543104 /nfs/dbraw/zinc/54/31/04/479543104.db2.gz SXKDBCFKGJTJBG-UHFFFAOYSA-N 1 0 331.420 2.855 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604561541 479545012 /nfs/dbraw/zinc/54/50/12/479545012.db2.gz CTZBEMCMSOEHER-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000614934750 479552507 /nfs/dbraw/zinc/55/25/07/479552507.db2.gz URQUDZYXQVGSBT-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026543 479555199 /nfs/dbraw/zinc/55/51/99/479555199.db2.gz LUBFEFXIDUXGCH-HNNXBMFYSA-N 1 0 347.415 2.957 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594027603 479556524 /nfs/dbraw/zinc/55/65/24/479556524.db2.gz XAMFFBMADLCINF-QGZVFWFLSA-N 1 0 347.415 2.957 20 5 EFBDRO Cc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589685031 479558488 /nfs/dbraw/zinc/55/84/88/479558488.db2.gz XKOLLYVTGYMKGQ-AWEZNQCLSA-N 1 0 337.395 2.733 20 5 EFBDRO Cc1ncc(CNC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000602800184 479562804 /nfs/dbraw/zinc/56/28/04/479562804.db2.gz KGPLHUVRMDPEFR-LLVKDONJSA-N 1 0 348.428 2.717 20 5 EFBDRO COc1cc(C)c([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602802604 479564680 /nfs/dbraw/zinc/56/46/80/479564680.db2.gz RCWMHJTUWZUNAS-LBPRGKRZSA-N 1 0 348.403 2.776 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@]1(CO)CCOC1 ZINC000600178647 479565901 /nfs/dbraw/zinc/56/59/01/479565901.db2.gz NYXHRKUWPGCBIQ-KRWDZBQOSA-N 1 0 348.424 2.907 20 5 EFBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000594047507 479566577 /nfs/dbraw/zinc/56/65/77/479566577.db2.gz XQHVMBXXDNWUTA-CQSZACIVSA-N 1 0 348.403 2.927 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000602808100 479567219 /nfs/dbraw/zinc/56/72/19/479567219.db2.gz XDOGELIVGGRNQH-CYBMUJFWSA-N 1 0 340.387 2.636 20 5 EFBDRO COc1ccccc1C[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602811939 479570808 /nfs/dbraw/zinc/57/08/08/479570808.db2.gz PVXCDGATTXDAFV-INIZCTEOSA-N 1 0 346.431 2.965 20 5 EFBDRO Cc1cnc(C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)s1 ZINC000602822861 479575898 /nfs/dbraw/zinc/57/58/98/479575898.db2.gz STTBYQSMNNCSPT-UHFFFAOYSA-N 1 0 335.433 2.744 20 5 EFBDRO C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000589877308 479578669 /nfs/dbraw/zinc/57/86/69/479578669.db2.gz KPRJHYNSXUHREN-CYBMUJFWSA-N 1 0 341.415 2.849 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000602828364 479579301 /nfs/dbraw/zinc/57/93/01/479579301.db2.gz GNTWVUJSYFTDMX-CQSZACIVSA-N 1 0 338.433 2.511 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000589886812 479581198 /nfs/dbraw/zinc/58/11/98/479581198.db2.gz CXGUIPKIZHGEJN-AWEZNQCLSA-N 1 0 346.431 2.613 20 5 EFBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602837966 479586404 /nfs/dbraw/zinc/58/64/04/479586404.db2.gz QRQSEHLXYKMGAG-WKILWMFISA-N 1 0 344.415 2.986 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(Cc2ccccc2)C1 ZINC000612110413 479587122 /nfs/dbraw/zinc/58/71/22/479587122.db2.gz NPOCYURSGMWAOA-QGZVFWFLSA-N 1 0 342.395 2.509 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000590053405 479596485 /nfs/dbraw/zinc/59/64/85/479596485.db2.gz WGLGHPIGMGLZQF-ZSHCYNCHSA-N 1 0 344.367 2.534 20 5 EFBDRO CC1=Nc2ccccc2C12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000602858756 479598871 /nfs/dbraw/zinc/59/88/71/479598871.db2.gz BHZKPGRCPHFDIX-UHFFFAOYSA-N 1 0 339.399 2.931 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590146733 479610211 /nfs/dbraw/zinc/61/02/11/479610211.db2.gz PBLXYIBWVYQMGD-HNNXBMFYSA-N 1 0 341.415 2.891 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602890323 479614403 /nfs/dbraw/zinc/61/44/03/479614403.db2.gz HFPKKNCTYHFIMZ-CVEARBPZSA-N 1 0 338.379 2.534 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602892175 479615338 /nfs/dbraw/zinc/61/53/38/479615338.db2.gz RAKINIDWJYCLTM-JKSUJKDBSA-N 1 0 338.379 2.534 20 5 EFBDRO CCOC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000590195095 479615961 /nfs/dbraw/zinc/61/59/61/479615961.db2.gz WPGRHMHNGNYYLN-UHFFFAOYSA-N 1 0 336.388 2.805 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594196054 479626389 /nfs/dbraw/zinc/62/63/89/479626389.db2.gz KMYKXGFMCBRJPV-JCURWCKSSA-N 1 0 349.406 2.971 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1C ZINC000594197502 479628523 /nfs/dbraw/zinc/62/85/23/479628523.db2.gz OUGYQDIVJYQSLA-LSDHHAIUSA-N 1 0 347.415 2.659 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199398 479629801 /nfs/dbraw/zinc/62/98/01/479629801.db2.gz YIOPHDNJWYONBB-UONOGXRCSA-N 1 0 347.415 2.740 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202777 479631237 /nfs/dbraw/zinc/63/12/37/479631237.db2.gz RQLOXRDWDJBXAQ-LSDHHAIUSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202776 479631379 /nfs/dbraw/zinc/63/13/79/479631379.db2.gz RQLOXRDWDJBXAQ-HUUCEWRRSA-N 1 0 337.807 2.995 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590326417 479631433 /nfs/dbraw/zinc/63/14/33/479631433.db2.gz UCOFUBVIOZOILT-UHFFFAOYSA-N 1 0 328.372 2.972 20 5 EFBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597227207 479631577 /nfs/dbraw/zinc/63/15/77/479631577.db2.gz ATPKNUXVRASHRT-VFQAQYNWSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597227203 479631828 /nfs/dbraw/zinc/63/18/28/479631828.db2.gz ATPKNUXVRASHRT-BYPUDFOVSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597227205 479632043 /nfs/dbraw/zinc/63/20/43/479632043.db2.gz ATPKNUXVRASHRT-OMVNSRBRSA-N 1 0 329.400 2.552 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000590344425 479633347 /nfs/dbraw/zinc/63/33/47/479633347.db2.gz MBLKAEGGCJUTSR-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000615240678 479636519 /nfs/dbraw/zinc/63/65/19/479636519.db2.gz OOPYVRGLFMDPNG-HNNXBMFYSA-N 1 0 331.416 2.932 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]1(C)CO ZINC000597237043 479636530 /nfs/dbraw/zinc/63/65/30/479636530.db2.gz WARJRWYNOMCISK-MEBBXXQBSA-N 1 0 330.331 2.647 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597243305 479640548 /nfs/dbraw/zinc/64/05/48/479640548.db2.gz GLPKRSVNUFEUNP-TUUVXOQKSA-N 1 0 332.400 2.847 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000612346031 479650609 /nfs/dbraw/zinc/65/06/09/479650609.db2.gz BSNMFWYWIFDZJA-UHFFFAOYSA-N 1 0 339.355 2.718 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000579043965 479653735 /nfs/dbraw/zinc/65/37/35/479653735.db2.gz SHJWNXUCKOWRGH-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOCC1 ZINC000590599573 479666735 /nfs/dbraw/zinc/66/67/35/479666735.db2.gz CGLGHIMKRMODRO-UHFFFAOYSA-N 1 0 338.404 2.667 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+](C4CCCC4)C3)c21 ZINC000612444143 479673593 /nfs/dbraw/zinc/67/35/93/479673593.db2.gz CTDIGPUWVNUVRS-LBPRGKRZSA-N 1 0 327.388 2.967 20 5 EFBDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000612455830 479675707 /nfs/dbraw/zinc/67/57/07/479675707.db2.gz RFNDZTCLHYCFAU-UHFFFAOYSA-N 1 0 338.477 2.510 20 5 EFBDRO CN1CC[NH+](CC2(C)CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000612455792 479675889 /nfs/dbraw/zinc/67/58/89/479675889.db2.gz OCALNLSRLOOLGX-UHFFFAOYSA-N 1 0 338.477 2.510 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612544097 479689565 /nfs/dbraw/zinc/68/95/65/479689565.db2.gz LQYOCIIIRHKRNT-STQMWFEESA-N 1 0 337.395 2.828 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612544094 479689629 /nfs/dbraw/zinc/68/96/29/479689629.db2.gz LQYOCIIIRHKRNT-CHWSQXEVSA-N 1 0 337.395 2.828 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000615833464 479764922 /nfs/dbraw/zinc/76/49/22/479764922.db2.gz LTIVCUKXYGKSFA-APEZIOSESA-N 1 0 345.443 2.795 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000615833466 479765129 /nfs/dbraw/zinc/76/51/29/479765129.db2.gz LTIVCUKXYGKSFA-KVVHSQDJSA-N 1 0 345.443 2.795 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000615833468 479765238 /nfs/dbraw/zinc/76/52/38/479765238.db2.gz LTIVCUKXYGKSFA-UIRWJGRMSA-N 1 0 345.443 2.795 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527181 479818943 /nfs/dbraw/zinc/81/89/43/479818943.db2.gz TVUVXTBTYGPMFC-CYBMUJFWSA-N 1 0 344.390 2.972 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000619574183 479832276 /nfs/dbraw/zinc/83/22/76/479832276.db2.gz YLMGEXROURLZLC-ZDUSSCGKSA-N 1 0 349.456 2.820 20 5 EFBDRO CCN(Cc1ccoc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000616135385 479833098 /nfs/dbraw/zinc/83/30/98/479833098.db2.gz POMRKPMTBYUHHE-UHFFFAOYSA-N 1 0 348.355 2.762 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000619655380 479850867 /nfs/dbraw/zinc/85/08/67/479850867.db2.gz DODPDHDJYYXCKL-WPGJWXSHSA-N 1 0 340.379 2.868 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)CC(C)(C)C ZINC000609483481 480165366 /nfs/dbraw/zinc/16/53/66/480165366.db2.gz LWVVPGGSSXIOET-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583637 480181174 /nfs/dbraw/zinc/18/11/74/480181174.db2.gz TXKLTVGXEGXFPV-GFCCVEGCSA-N 1 0 337.445 2.533 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609594388 480184082 /nfs/dbraw/zinc/18/40/82/480184082.db2.gz OCJQLTYZKVRIIV-CQSZACIVSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000609616272 480186664 /nfs/dbraw/zinc/18/66/64/480186664.db2.gz ZQFZBMZNRBIUFG-KMDWOBIYSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCOC1 ZINC000609631643 480191457 /nfs/dbraw/zinc/19/14/57/480191457.db2.gz JDSWHXHCFZTVDG-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCOC1 ZINC000609631740 480192213 /nfs/dbraw/zinc/19/22/13/480192213.db2.gz SDMCTBQOFSESIC-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000609833701 480210990 /nfs/dbraw/zinc/21/09/90/480210990.db2.gz VNOOEEIMNWHPGG-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609850094 480213046 /nfs/dbraw/zinc/21/30/46/480213046.db2.gz WCTSFMRFIWYRCU-UHFFFAOYSA-N 1 0 329.404 2.847 20 5 EFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCc2c1cnn2C ZINC000614261548 480248212 /nfs/dbraw/zinc/24/82/12/480248212.db2.gz SZTDZVPLFDTEOD-HNNXBMFYSA-N 1 0 340.387 2.714 20 5 EFBDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420548 480301089 /nfs/dbraw/zinc/30/10/89/480301089.db2.gz PDHUQVXGONFXSQ-KSSFIOAISA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420547 480301311 /nfs/dbraw/zinc/30/13/11/480301311.db2.gz PDHUQVXGONFXSQ-KDOFPFPSSA-N 1 0 333.432 2.889 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610456151 480311104 /nfs/dbraw/zinc/31/11/04/480311104.db2.gz YSKURNMLYCQGTE-MRXNPFEDSA-N 1 0 348.447 2.776 20 5 EFBDRO CCn1cnnc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610480137 480316199 /nfs/dbraw/zinc/31/61/99/480316199.db2.gz BNJJVTNCFJMVSO-UHFFFAOYSA-N 1 0 341.371 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]3C[NH+]3CCCC3)c2c1 ZINC000614517880 480329960 /nfs/dbraw/zinc/32/99/60/480329960.db2.gz GUOGKMFNLADPJQ-CQSZACIVSA-N 1 0 327.388 2.603 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610595836 480346901 /nfs/dbraw/zinc/34/69/01/480346901.db2.gz MSPQCYJOFUIQGF-CJNGLKHVSA-N 1 0 346.431 2.748 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617753245 480352253 /nfs/dbraw/zinc/35/22/53/480352253.db2.gz LXLMFOBIKXDJLX-WMLDXEAASA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000189825702 533748714 /nfs/dbraw/zinc/74/87/14/533748714.db2.gz MBOAAYTWDSWUPT-SJCJKPOMSA-N 1 0 342.399 2.598 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000153726218 533764257 /nfs/dbraw/zinc/76/42/57/533764257.db2.gz XGAQJSCUBVTFMF-RDTXWAMCSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000153726300 533766749 /nfs/dbraw/zinc/76/67/49/533766749.db2.gz XGAQJSCUBVTFMF-KDOFPFPSSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1c(CC(=O)NCCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000159943162 533831118 /nfs/dbraw/zinc/83/11/18/533831118.db2.gz ARCLXPABPVAYBI-UHFFFAOYSA-N 1 0 333.432 2.828 20 5 EFBDRO Cc1c(CC(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000159536893 533831275 /nfs/dbraw/zinc/83/12/75/533831275.db2.gz OQNCUAWTKTTYKM-UHFFFAOYSA-N 1 0 333.432 2.826 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(OC(F)F)c1 ZINC000179574436 533876990 /nfs/dbraw/zinc/87/69/90/533876990.db2.gz HWSMLMSACVCTJU-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189893999 533951153 /nfs/dbraw/zinc/95/11/53/533951153.db2.gz YTKIIEMCASXRFG-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679906 533986738 /nfs/dbraw/zinc/98/67/38/533986738.db2.gz ZHGZUDWRPBMICK-NEPJUHHUSA-N 1 0 332.360 2.877 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129640589 534034743 /nfs/dbraw/zinc/03/47/43/534034743.db2.gz NPUJQBVMCJZASI-PBHICJAKSA-N 1 0 330.388 2.753 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000191371444 534055835 /nfs/dbraw/zinc/05/58/35/534055835.db2.gz AJSFRTHGSQEEIQ-AWEZNQCLSA-N 1 0 330.388 2.690 20 5 EFBDRO CSc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000159830830 534182671 /nfs/dbraw/zinc/18/26/71/534182671.db2.gz UAIFRARQYURLJR-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000173861931 534316600 /nfs/dbraw/zinc/31/66/00/534316600.db2.gz CHMBOJGVVZNXNQ-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000159689331 534320747 /nfs/dbraw/zinc/32/07/47/534320747.db2.gz XIRHHGBNLPSYKQ-UHFFFAOYSA-N 1 0 331.347 2.560 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000178175815 534327175 /nfs/dbraw/zinc/32/71/75/534327175.db2.gz ZJTBDLHWWVPEFE-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174529390 534332961 /nfs/dbraw/zinc/33/29/61/534332961.db2.gz HWPWFXLCZZBKCC-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000084680612 519563053 /nfs/dbraw/zinc/56/30/53/519563053.db2.gz CMQFWUQVBXSPMW-UHFFFAOYSA-N 1 0 349.479 2.624 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157009546 519804087 /nfs/dbraw/zinc/80/40/87/519804087.db2.gz AKSOBCQEWNQOTP-BBRMVZONSA-N 1 0 334.420 2.637 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245455686 520728788 /nfs/dbraw/zinc/72/87/88/520728788.db2.gz SRTBGBFOEWEPKE-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000174179735 520845405 /nfs/dbraw/zinc/84/54/05/520845405.db2.gz QUZYQRJCKAMMRA-CYBMUJFWSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[NH+]1CCC(N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000157411168 521564793 /nfs/dbraw/zinc/56/47/93/521564793.db2.gz BFPBZDXPQAFGCE-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO CCC1(CC)[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000140773046 521695418 /nfs/dbraw/zinc/69/54/18/521695418.db2.gz NWAXLYWEUTZZCF-CVEARBPZSA-N 1 0 349.431 2.719 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178658159 521875775 /nfs/dbraw/zinc/87/57/75/521875775.db2.gz VVIRDBITWFKUDR-CYBMUJFWSA-N 1 0 327.384 2.848 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000089420890 521921445 /nfs/dbraw/zinc/92/14/45/521921445.db2.gz LBROSZZZMXZMND-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000058191492 522071334 /nfs/dbraw/zinc/07/13/34/522071334.db2.gz GBVRMSXYBMMTID-QGZVFWFLSA-N 1 0 349.431 2.600 20 5 EFBDRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000101651883 522121852 /nfs/dbraw/zinc/12/18/52/522121852.db2.gz LDZUJHXQTIEFFG-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000157844835 522351851 /nfs/dbraw/zinc/35/18/51/522351851.db2.gz AXPODKWCIGAKFG-UHFFFAOYSA-N 1 0 336.417 2.654 20 5 EFBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000245693960 522392739 /nfs/dbraw/zinc/39/27/39/522392739.db2.gz AZKLAYRJMSGDKB-DZGCQCFKSA-N 1 0 349.431 2.528 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245784943 522399673 /nfs/dbraw/zinc/39/96/73/522399673.db2.gz VACRZISFYRXOIP-SWLSCSKDSA-N 1 0 336.388 2.613 20 5 EFBDRO C[NH2+][C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000151032570 522494273 /nfs/dbraw/zinc/49/42/73/522494273.db2.gz FHVFVDFFLMPCSM-LBPRGKRZSA-N 1 0 346.412 2.542 20 5 EFBDRO CC[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181126763 522560031 /nfs/dbraw/zinc/56/00/31/522560031.db2.gz MYJACNVCKDLNPF-BCLQGDPASA-N 1 0 340.445 2.991 20 5 EFBDRO CCc1noc(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119265441 522839163 /nfs/dbraw/zinc/83/91/63/522839163.db2.gz VPPPQUQZFLJUIB-LBPRGKRZSA-N 1 0 331.376 2.535 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177049279 522859283 /nfs/dbraw/zinc/85/92/83/522859283.db2.gz AXTAAIRNFYNNIN-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000120111791 522907577 /nfs/dbraw/zinc/90/75/77/522907577.db2.gz UWOUFELPUNIFHV-CYBMUJFWSA-N 1 0 346.383 2.825 20 5 EFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000135645109 522910861 /nfs/dbraw/zinc/91/08/61/522910861.db2.gz MQDFAHVGRKCTCS-INIZCTEOSA-N 1 0 330.388 2.717 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377463 522956571 /nfs/dbraw/zinc/95/65/71/522956571.db2.gz OMPRCRXGOPRUIS-SFHVURJKSA-N 1 0 339.395 2.875 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000159087042 534674103 /nfs/dbraw/zinc/67/41/03/534674103.db2.gz DIRJQGYFQVJTHT-MRXNPFEDSA-N 1 0 341.367 2.854 20 5 EFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1 ZINC000073649615 523319316 /nfs/dbraw/zinc/31/93/16/523319316.db2.gz ATFMHTCHIHFTKT-GOSISDBHSA-N 1 0 330.384 2.604 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131505151 534708966 /nfs/dbraw/zinc/70/89/66/534708966.db2.gz XJILKVYDKQYIKE-CQSZACIVSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153873185 534709550 /nfs/dbraw/zinc/70/95/50/534709550.db2.gz VQZISGSGZNRMBD-WBMJQRKESA-N 1 0 347.390 2.823 20 5 EFBDRO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000078537784 523778875 /nfs/dbraw/zinc/77/88/75/523778875.db2.gz YRQMVZCLQBPVEF-UHFFFAOYSA-N 1 0 334.376 2.749 20 5 EFBDRO CN(C)C(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000176799182 524021258 /nfs/dbraw/zinc/02/12/58/524021258.db2.gz BIOINEXTWWTLTK-UHFFFAOYSA-N 1 0 330.388 2.650 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068203645 524086678 /nfs/dbraw/zinc/08/66/78/524086678.db2.gz JRVPSFZSUAFKSG-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248598457 524367381 /nfs/dbraw/zinc/36/73/81/524367381.db2.gz UIKKEMKEPSPYHA-VIKVFOODSA-N 1 0 340.445 2.783 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245553194 524450194 /nfs/dbraw/zinc/45/01/94/524450194.db2.gz FCZKDNSMOWYYEC-JFIYKMOQSA-N 1 0 347.459 2.977 20 5 EFBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000245586119 524603255 /nfs/dbraw/zinc/60/32/55/524603255.db2.gz MJSQNKNSHXRRLP-MAUKXSAKSA-N 1 0 341.411 2.882 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115626 524607329 /nfs/dbraw/zinc/60/73/29/524607329.db2.gz UHZHMILIGRPELY-RYUDHWBXSA-N 1 0 344.371 2.676 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987170 524657941 /nfs/dbraw/zinc/65/79/41/524657941.db2.gz LVKINALBSVWZPQ-CALCHBBNSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041420 524659616 /nfs/dbraw/zinc/65/96/16/524659616.db2.gz SGVBLXWESYXOIG-CALCHBBNSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000155166586 524865374 /nfs/dbraw/zinc/86/53/74/524865374.db2.gz CIJHZYCAJZLPFF-CYBMUJFWSA-N 1 0 340.383 2.772 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000194771538 524904008 /nfs/dbraw/zinc/90/40/08/524904008.db2.gz RJSSIVMAHOGJOK-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261604764 524904079 /nfs/dbraw/zinc/90/40/79/524904079.db2.gz CKZXBVQVLCYNSZ-OAHLLOKOSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1nn(C)c(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243049 534817990 /nfs/dbraw/zinc/81/79/90/534817990.db2.gz CEOBICSCYVJYDL-UHFFFAOYSA-N 1 0 344.415 2.989 20 5 EFBDRO Cc1n[nH]c(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130734700 534839003 /nfs/dbraw/zinc/83/90/03/534839003.db2.gz STGYXJWOLSGRLI-UHFFFAOYSA-N 1 0 330.388 2.978 20 5 EFBDRO C[S@](=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116919520 525384926 /nfs/dbraw/zinc/38/49/26/525384926.db2.gz YTYIATSDJRUNLT-JOCHJYFZSA-N 1 0 339.442 2.577 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000067796598 525448967 /nfs/dbraw/zinc/44/89/67/525448967.db2.gz JXMSHZUKTGQKAW-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154568404 525454609 /nfs/dbraw/zinc/45/46/09/525454609.db2.gz VCURQZAJJNWTEN-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000195235741 525539676 /nfs/dbraw/zinc/53/96/76/525539676.db2.gz BEIVQRZLXLZTKZ-GFCCVEGCSA-N 1 0 349.412 2.817 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120077949 525731426 /nfs/dbraw/zinc/73/14/26/525731426.db2.gz LNGGTLOGANQLHV-CRAIPNDOSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000176752286 525895179 /nfs/dbraw/zinc/89/51/79/525895179.db2.gz DPZHRLLXPOHGQX-WMLDXEAASA-N 1 0 348.447 2.946 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000120093562 525917540 /nfs/dbraw/zinc/91/75/40/525917540.db2.gz VMNJUYXYMSEBFY-YJBOKZPZSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155370347 526077831 /nfs/dbraw/zinc/07/78/31/526077831.db2.gz WFGVPKBPYYQADZ-RHSMWYFYSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072979324 526078065 /nfs/dbraw/zinc/07/80/65/526078065.db2.gz YYKGAOXOPRCWSN-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120919243 526168160 /nfs/dbraw/zinc/16/81/60/526168160.db2.gz JUUCRUPOEAEEPK-AWEZNQCLSA-N 1 0 327.384 2.984 20 5 EFBDRO COc1cccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185447295 526208636 /nfs/dbraw/zinc/20/86/36/526208636.db2.gz AXBFGEVFGRNOBD-CYBMUJFWSA-N 1 0 335.404 2.516 20 5 EFBDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000177069321 526267180 /nfs/dbraw/zinc/26/71/80/526267180.db2.gz CWCJWHNXSZHCQD-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO O=C(C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000179819102 526302931 /nfs/dbraw/zinc/30/29/31/526302931.db2.gz QNYQIPJCRGTQJP-FNORWQNLSA-N 1 0 343.427 2.942 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136979419 526574911 /nfs/dbraw/zinc/57/49/11/526574911.db2.gz LMYSUPPYTZHYPM-GFCCVEGCSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000178734315 526596610 /nfs/dbraw/zinc/59/66/10/526596610.db2.gz OLTFUASOFPOZRS-CYBMUJFWSA-N 1 0 341.367 2.869 20 5 EFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000193787170 526613884 /nfs/dbraw/zinc/61/38/84/526613884.db2.gz CLXZAAZUHYRSST-CQSZACIVSA-N 1 0 345.424 2.908 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181478896 526617044 /nfs/dbraw/zinc/61/70/44/526617044.db2.gz BPHBIZYXBDIZPD-CYBMUJFWSA-N 1 0 334.376 2.532 20 5 EFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000180858934 527291765 /nfs/dbraw/zinc/29/17/65/527291765.db2.gz VFNGVUJQVUEDOJ-UHFFFAOYSA-N 1 0 337.326 2.560 20 5 EFBDRO [NH3+][C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000178117383 527325141 /nfs/dbraw/zinc/32/51/41/527325141.db2.gz BXYIZXVILYQNSU-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(NCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000236042931 527331267 /nfs/dbraw/zinc/33/12/67/527331267.db2.gz UDPAFYWVIGWCHP-UHFFFAOYSA-N 1 0 333.219 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCCO)s2)cc1 ZINC000181218282 527342835 /nfs/dbraw/zinc/34/28/35/527342835.db2.gz DTFSLJIYMJQKLE-UHFFFAOYSA-N 1 0 336.413 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccccc3F)C2)nc1 ZINC000121398468 527367706 /nfs/dbraw/zinc/36/77/06/527367706.db2.gz UGPPAEMDHBPUPQ-AWEZNQCLSA-N 1 0 330.363 2.858 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccccc3F)C2)nc1 ZINC000121398664 527367980 /nfs/dbraw/zinc/36/79/80/527367980.db2.gz UGPPAEMDHBPUPQ-CQSZACIVSA-N 1 0 330.363 2.858 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157320719 527370432 /nfs/dbraw/zinc/37/04/32/527370432.db2.gz IORUUQYEFPMPAO-INIZCTEOSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092757474 527371524 /nfs/dbraw/zinc/37/15/24/527371524.db2.gz PJXJKUHFUXHZGB-AWEZNQCLSA-N 1 0 341.358 2.866 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2nnc[nH]2)s1 ZINC000119163564 527396032 /nfs/dbraw/zinc/39/60/32/527396032.db2.gz ABLQDOFOQUDEMH-UHFFFAOYSA-N 1 0 329.385 2.774 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183556474 527724405 /nfs/dbraw/zinc/72/44/05/527724405.db2.gz AZEFLXUEXRRWDO-UHFFFAOYSA-N 1 0 349.435 2.869 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000174487572 527831931 /nfs/dbraw/zinc/83/19/31/527831931.db2.gz YHIATNZUOSCKTA-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229225 527838683 /nfs/dbraw/zinc/83/86/83/527838683.db2.gz IRTGVLCTLAFPKE-ZDUSSCGKSA-N 1 0 339.411 2.906 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000174255162 527844570 /nfs/dbraw/zinc/84/45/70/527844570.db2.gz BAYKSWQHHTYXQB-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO CC[N@H+](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000178512483 527891409 /nfs/dbraw/zinc/89/14/09/527891409.db2.gz OHOJTMFTXFZYIP-UHFFFAOYSA-N 1 0 325.796 2.691 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000130599302 528027281 /nfs/dbraw/zinc/02/72/81/528027281.db2.gz NQHDCIINCFUILH-CYBMUJFWSA-N 1 0 346.431 2.869 20 5 EFBDRO CC1([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)OCCO1 ZINC000183871129 528053224 /nfs/dbraw/zinc/05/32/24/528053224.db2.gz VGVUVPISBZPNDU-GFCCVEGCSA-N 1 0 347.371 2.711 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174171718 528256180 /nfs/dbraw/zinc/25/61/80/528256180.db2.gz CRNLOSXOAQCBEH-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174663876 528360030 /nfs/dbraw/zinc/36/00/30/528360030.db2.gz PWAQCZOZUKITNQ-DLBZAZTESA-N 1 0 332.404 2.529 20 5 EFBDRO CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000131378638 528398733 /nfs/dbraw/zinc/39/87/33/528398733.db2.gz OREVPFKWFDHTBD-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CCCC[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159421826 528428555 /nfs/dbraw/zinc/42/85/55/528428555.db2.gz NGPZQTWBNPPQFL-UHFFFAOYSA-N 1 0 331.210 2.952 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000158624843 528549521 /nfs/dbraw/zinc/54/95/21/528549521.db2.gz KNDBXFJKCOCHOU-UHFFFAOYSA-N 1 0 345.403 2.627 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)N[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153244619 528594661 /nfs/dbraw/zinc/59/46/61/528594661.db2.gz KRYOYYOYWNSIOK-CHWSQXEVSA-N 1 0 337.420 2.949 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000173916475 528664444 /nfs/dbraw/zinc/66/44/44/528664444.db2.gz QMYYHGMTTVDRHM-HUUCEWRRSA-N 1 0 336.436 2.847 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173304686 528778579 /nfs/dbraw/zinc/77/85/79/528778579.db2.gz DTLNSZOJNOMYCW-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821696 528799620 /nfs/dbraw/zinc/79/96/20/528799620.db2.gz PCDKYKUFTCCADW-INIZCTEOSA-N 1 0 344.367 2.879 20 5 EFBDRO CC(C)[NH+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000179562021 528906620 /nfs/dbraw/zinc/90/66/20/528906620.db2.gz QEGZJBGJGQDOKF-UHFFFAOYSA-N 1 0 349.478 2.591 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000171702932 529011151 /nfs/dbraw/zinc/01/11/51/529011151.db2.gz IDGSKOBXJZYXPM-HNNXBMFYSA-N 1 0 348.447 2.857 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000171702923 529021728 /nfs/dbraw/zinc/02/17/28/529021728.db2.gz IDGSKOBXJZYXPM-OAHLLOKOSA-N 1 0 348.447 2.857 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159950581 529030748 /nfs/dbraw/zinc/03/07/48/529030748.db2.gz JKNCXLGIJBSQTJ-CQSZACIVSA-N 1 0 334.420 2.701 20 5 EFBDRO CC1(C)CN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000178759763 529119455 /nfs/dbraw/zinc/11/94/55/529119455.db2.gz DSJIMKARSATUAT-KRWDZBQOSA-N 1 0 347.459 2.616 20 5 EFBDRO CC1(C)COCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178597374 529132646 /nfs/dbraw/zinc/13/26/46/529132646.db2.gz JVVSBBNCMCAICD-QGZVFWFLSA-N 1 0 347.459 2.616 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414163018 536552857 /nfs/dbraw/zinc/55/28/57/536552857.db2.gz FLCZCBWDPNOMLL-OZVIIMIRSA-N 1 0 335.404 2.633 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411998987 534940702 /nfs/dbraw/zinc/94/07/02/534940702.db2.gz ALUQLRNQOFTVCT-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000412003411 534941050 /nfs/dbraw/zinc/94/10/50/534941050.db2.gz AGNQYDFASQJFDV-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412120650 534943309 /nfs/dbraw/zinc/94/33/09/534943309.db2.gz DUGVLCUYDZYSNC-DZGCQCFKSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412131152 534945024 /nfs/dbraw/zinc/94/50/24/534945024.db2.gz VRTXPQFENFYWNL-ZDUSSCGKSA-N 1 0 335.404 2.548 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000421896900 534979134 /nfs/dbraw/zinc/97/91/34/534979134.db2.gz ZYJDWGFKIQYIHW-RHSMWYFYSA-N 1 0 345.443 2.764 20 5 EFBDRO CC(C)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000266266769 535008531 /nfs/dbraw/zinc/00/85/31/535008531.db2.gz XCZRGFGUBDKXOF-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355870876 535057612 /nfs/dbraw/zinc/05/76/12/535057612.db2.gz FKITVLVNXXLXFV-UHFFFAOYSA-N 1 0 337.420 2.551 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266482552 535070168 /nfs/dbraw/zinc/07/01/68/535070168.db2.gz IKJZQXZWQFOMOF-UHFFFAOYSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418584279 535094065 /nfs/dbraw/zinc/09/40/65/535094065.db2.gz OEVMNWUBPQFMOE-CABCVRRESA-N 1 0 334.420 2.785 20 5 EFBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCOCC1 ZINC000356473775 535147525 /nfs/dbraw/zinc/14/75/25/535147525.db2.gz NNKLAVRLXHVYRO-INIZCTEOSA-N 1 0 336.436 2.847 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412105800 535223883 /nfs/dbraw/zinc/22/38/83/535223883.db2.gz FPHANVXKWBSSIL-UHFFFAOYSA-N 1 0 337.420 2.844 20 5 EFBDRO CC(C)(NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418774054 535225208 /nfs/dbraw/zinc/22/52/08/535225208.db2.gz REKULRNRZRIIDA-CQSZACIVSA-N 1 0 334.420 2.661 20 5 EFBDRO CC(C)(NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000418756257 535225435 /nfs/dbraw/zinc/22/54/35/535225435.db2.gz YIIIKYOSJUHNOK-ZDUSSCGKSA-N 1 0 334.420 2.661 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418796873 535226923 /nfs/dbraw/zinc/22/69/23/535226923.db2.gz RPCHTDPHVNCMGL-GZBFAFLISA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418660895 535227050 /nfs/dbraw/zinc/22/70/50/535227050.db2.gz OUWYASPYTMXUHW-JKSUJKDBSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418422011 535228115 /nfs/dbraw/zinc/22/81/15/535228115.db2.gz IFYHZPNTZMVKIX-DOMZBBRYSA-N 1 0 334.420 2.647 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356593463 535228152 /nfs/dbraw/zinc/22/81/52/535228152.db2.gz GOENFAAMZNTZDL-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351609791 535259472 /nfs/dbraw/zinc/25/94/72/535259472.db2.gz MLIGQGQYXVEVKP-LBPRGKRZSA-N 1 0 338.383 2.930 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236601012 535308558 /nfs/dbraw/zinc/30/85/58/535308558.db2.gz PKAVVKIADZXDNX-MRXNPFEDSA-N 1 0 348.428 2.822 20 5 EFBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266522505 535337227 /nfs/dbraw/zinc/33/72/27/535337227.db2.gz JJXBWYQQSXLRQQ-FUHWJXTLSA-N 1 0 344.415 2.552 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000347710767 535342504 /nfs/dbraw/zinc/34/25/04/535342504.db2.gz AJGCPYBHBOWDOJ-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC2(N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433090565 535367513 /nfs/dbraw/zinc/36/75/13/535367513.db2.gz IPKQAWLZPGREST-KRWDZBQOSA-N 1 0 345.443 2.772 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000341435467 535411677 /nfs/dbraw/zinc/41/16/77/535411677.db2.gz SCGAXHWOKAFITE-GFCCVEGCSA-N 1 0 334.376 2.549 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421681502 535427572 /nfs/dbraw/zinc/42/75/72/535427572.db2.gz XVYFKRDKNSFEKZ-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCC1 ZINC000439920645 535429807 /nfs/dbraw/zinc/42/98/07/535429807.db2.gz XRWOHYSACGOXAO-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO CCOc1cccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000364855848 535469901 /nfs/dbraw/zinc/46/99/01/535469901.db2.gz NFVTXIMTXWIKJV-CQSZACIVSA-N 1 0 335.404 2.659 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266505853 535521876 /nfs/dbraw/zinc/52/18/76/535521876.db2.gz BWSBXMGKQMMSJL-RRQGHBQHSA-N 1 0 334.416 2.908 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360049702 535549216 /nfs/dbraw/zinc/54/92/16/535549216.db2.gz GFSXGALMCIWRRX-CQSZACIVSA-N 1 0 339.411 2.979 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426011113 535573786 /nfs/dbraw/zinc/57/37/86/535573786.db2.gz SHVSZDXIVPAWRT-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342667495 535575152 /nfs/dbraw/zinc/57/51/52/535575152.db2.gz NIMKUEQFFHSQSF-LLVKDONJSA-N 1 0 342.827 2.778 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412145255 535664237 /nfs/dbraw/zinc/66/42/37/535664237.db2.gz CUCGQFPYFDUAGP-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000351786236 535717000 /nfs/dbraw/zinc/71/70/00/535717000.db2.gz FGKXRTREQFSEGS-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000266441027 535772165 /nfs/dbraw/zinc/77/21/65/535772165.db2.gz GSQYSZVNBBBSSD-MRXNPFEDSA-N 1 0 343.431 2.677 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000345935212 535776699 /nfs/dbraw/zinc/77/66/99/535776699.db2.gz APRPFZXTTWVNNM-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000349065147 535854903 /nfs/dbraw/zinc/85/49/03/535854903.db2.gz XVJHGGVMTFNXOE-JZLODUJNSA-N 1 0 333.432 2.651 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000360211136 535953572 /nfs/dbraw/zinc/95/35/72/535953572.db2.gz BTBRPZJGRXNNSK-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054484 535997699 /nfs/dbraw/zinc/99/76/99/535997699.db2.gz QTHMBKLKVHZYRI-GJZGRUSLSA-N 1 0 346.387 2.770 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344190735 536048267 /nfs/dbraw/zinc/04/82/67/536048267.db2.gz SGJROKRDGJIDOV-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO CN(C)C(=O)c1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000417950475 536106361 /nfs/dbraw/zinc/10/63/61/536106361.db2.gz XOMGIWNAWOLPQG-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246945509 536166242 /nfs/dbraw/zinc/16/62/42/536166242.db2.gz LEMLGTMEMBIFQU-ZFWWWQNUSA-N 1 0 349.456 2.772 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342647471 536181606 /nfs/dbraw/zinc/18/16/06/536181606.db2.gz DDCIQPZILNAZSE-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000343756254 536342418 /nfs/dbraw/zinc/34/24/18/536342418.db2.gz BAXOCRHPFIPNLH-UHFFFAOYSA-N 1 0 336.367 2.867 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000414639043 536346350 /nfs/dbraw/zinc/34/63/50/536346350.db2.gz DTTWTFJBVYGFAC-ZETCQYMHSA-N 1 0 330.266 2.814 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412222156 536347802 /nfs/dbraw/zinc/34/78/02/536347802.db2.gz FXLUZTSLMUVZFU-DLBZAZTESA-N 1 0 343.427 2.785 20 5 EFBDRO C[N@H+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000264200840 536377112 /nfs/dbraw/zinc/37/71/12/536377112.db2.gz QXWWYSIJXLIMPY-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO CNc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000361120548 536419347 /nfs/dbraw/zinc/41/93/47/536419347.db2.gz BPOKYTFFJACBGH-UHFFFAOYSA-N 1 0 328.372 2.950 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575254 536496402 /nfs/dbraw/zinc/49/64/02/536496402.db2.gz XHICVFSDPISKIC-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000412024074 536709705 /nfs/dbraw/zinc/70/97/05/536709705.db2.gz YJQSYMXZTVOOEO-LLVKDONJSA-N 1 0 332.360 2.692 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419371445 536762165 /nfs/dbraw/zinc/76/21/65/536762165.db2.gz KTDKPBCDHRLTIB-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421100261 536886686 /nfs/dbraw/zinc/88/66/86/536886686.db2.gz QCNQLNXBBBPMBY-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO COc1ccc(-c2ccc(CN(C)C3CC([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414780980 536896008 /nfs/dbraw/zinc/89/60/08/536896008.db2.gz UYPRGRDKBGSEIE-UHFFFAOYSA-N 1 0 331.372 2.785 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412015270 536956192 /nfs/dbraw/zinc/95/61/92/536956192.db2.gz SETCMCSGPUJEIR-UHFFFAOYSA-N 1 0 346.427 2.880 20 5 EFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]2C ZINC000359544847 536990788 /nfs/dbraw/zinc/99/07/88/536990788.db2.gz XJZWNZPGYMNEDB-STQMWFEESA-N 1 0 330.388 2.808 20 5 EFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]2C ZINC000359544845 536991448 /nfs/dbraw/zinc/99/14/48/536991448.db2.gz XJZWNZPGYMNEDB-QWHCGFSZSA-N 1 0 330.388 2.808 20 5 EFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261544137 545619630 /nfs/dbraw/zinc/61/96/30/545619630.db2.gz XCXQWYXQOJGBCN-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000675057075 548198935 /nfs/dbraw/zinc/19/89/35/548198935.db2.gz VGMONEAYUOXPDW-CYBMUJFWSA-N 1 0 342.237 2.883 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000725263757 550198519 /nfs/dbraw/zinc/19/85/19/550198519.db2.gz FWWZNHTWPBOKEN-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnc3ccccn32)cc1Cl ZINC000761520858 576174022 /nfs/dbraw/zinc/17/40/22/576174022.db2.gz QKUCQHOZIRIJIK-UHFFFAOYSA-N 1 0 331.763 2.623 20 5 EFBDRO C[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000753847404 575351475 /nfs/dbraw/zinc/35/14/75/575351475.db2.gz QSTMEMDOFBROFG-NSHDSACASA-N 1 0 339.367 2.562 20 5 EFBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000753917395 575359205 /nfs/dbraw/zinc/35/92/05/575359205.db2.gz MVZYSTOXNJCWOO-ZDUSSCGKSA-N 1 0 339.367 2.563 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccccc2Cl)cc1 ZINC000754250187 575410695 /nfs/dbraw/zinc/41/06/95/575410695.db2.gz FEKZPZCJNNFFIO-HNNXBMFYSA-N 1 0 336.775 2.950 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000754250550 575410721 /nfs/dbraw/zinc/41/07/21/575410721.db2.gz JJFIGRAPDONKSU-GOSISDBHSA-N 1 0 338.367 2.604 20 5 EFBDRO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346824 575423174 /nfs/dbraw/zinc/42/31/74/575423174.db2.gz GTIUEZOQKHLRNQ-HOTGVXAUSA-N 1 0 334.372 2.761 20 5 EFBDRO C[C@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381194 575427516 /nfs/dbraw/zinc/42/75/16/575427516.db2.gz BKPGLNFDPIQWSC-WCQYABFASA-N 1 0 349.412 2.697 20 5 EFBDRO C[C@@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397881 575431819 /nfs/dbraw/zinc/43/18/19/575431819.db2.gz XTNZWJUPWNNVRF-RISCZKNCSA-N 1 0 349.412 2.697 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1csc2ccccc21 ZINC000754734307 575480147 /nfs/dbraw/zinc/48/01/47/575480147.db2.gz QWYCNSORNDABMR-WCQYABFASA-N 1 0 346.412 2.718 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000754781870 575488613 /nfs/dbraw/zinc/48/86/13/575488613.db2.gz GGYKAZDAKGWEHN-CQSZACIVSA-N 1 0 330.388 2.651 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+](C)C)C1 ZINC000757700839 575850540 /nfs/dbraw/zinc/85/05/40/575850540.db2.gz DOIAIHYKEYFKOV-JTQLQIEISA-N 1 0 341.795 2.565 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000758506365 575871100 /nfs/dbraw/zinc/87/11/00/575871100.db2.gz DUPGLTSDABVDRV-CQSZACIVSA-N 1 0 349.406 2.846 20 5 EFBDRO CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759763569 575931102 /nfs/dbraw/zinc/93/11/02/575931102.db2.gz GSIPSLCWNODTLF-QGZVFWFLSA-N 1 0 346.431 2.799 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000760576873 576049061 /nfs/dbraw/zinc/04/90/61/576049061.db2.gz MXSVBVULXIPAGJ-YPMHNXCESA-N 1 0 347.387 2.678 20 5 EFBDRO [NH2+]=C(NOCc1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccccc2O1 ZINC000764568932 576473229 /nfs/dbraw/zinc/47/32/29/576473229.db2.gz NJNZJZBXCJCKHI-OAHLLOKOSA-N 1 0 347.302 2.572 20 5 EFBDRO [NH2+]=C(NOCc1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc2O1 ZINC000764568931 576473321 /nfs/dbraw/zinc/47/33/21/576473321.db2.gz NJNZJZBXCJCKHI-HNNXBMFYSA-N 1 0 347.302 2.572 20 5 EFBDRO Cc1nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764887963 576517850 /nfs/dbraw/zinc/51/78/50/576517850.db2.gz YTTIGCVYSLCVFC-CYBMUJFWSA-N 1 0 330.388 2.711 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765663269 577063906 /nfs/dbraw/zinc/06/39/06/577063906.db2.gz NMDJTTDMJJQORC-AWEZNQCLSA-N 1 0 348.403 2.742 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000765747568 577072137 /nfs/dbraw/zinc/07/21/37/577072137.db2.gz ZCMJZKSLUCTNHV-GDBMZVCRSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000765747581 577072176 /nfs/dbraw/zinc/07/21/76/577072176.db2.gz ZCMJZKSLUCTNHV-GOEBONIOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000765848561 577082656 /nfs/dbraw/zinc/08/26/56/577082656.db2.gz HPJXZEDQXKGLCG-BLPFDFMYSA-N 1 0 348.424 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000765849799 577082874 /nfs/dbraw/zinc/08/28/74/577082874.db2.gz QUEVYPSREYQESJ-SFHVURJKSA-N 1 0 333.432 2.625 20 5 EFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]2CCO[C@H]21 ZINC000766140939 577113674 /nfs/dbraw/zinc/11/36/74/577113674.db2.gz MIRSVNNQLZXBBK-RCCFBDPRSA-N 1 0 345.443 2.967 20 5 EFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947693 577189335 /nfs/dbraw/zinc/18/93/35/577189335.db2.gz ZWQFSDIEXANCOL-YOEHRIQHSA-N 1 0 348.378 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767855764 577238647 /nfs/dbraw/zinc/23/86/47/577238647.db2.gz LTXYGROJWJZPHL-GOSISDBHSA-N 1 0 342.395 2.612 20 5 EFBDRO Cc1c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)sc2nc(C)nc(C)c12 ZINC000769421766 577361512 /nfs/dbraw/zinc/36/15/12/577361512.db2.gz AODRNKZNYIQADT-UHFFFAOYSA-N 1 0 346.416 2.511 20 5 EFBDRO CC[N@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745464 577382132 /nfs/dbraw/zinc/38/21/32/577382132.db2.gz BNTFYOMNTZLJTD-UHFFFAOYSA-N 1 0 325.372 2.931 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770099898 577402107 /nfs/dbraw/zinc/40/21/07/577402107.db2.gz LLVSWYFAYAQYGL-YPMHNXCESA-N 1 0 325.796 2.832 20 5 EFBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000770221507 577407649 /nfs/dbraw/zinc/40/76/49/577407649.db2.gz CLCDPIHPNZSYEW-LBPRGKRZSA-N 1 0 349.460 2.642 20 5 EFBDRO O=C(OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000770407615 577416168 /nfs/dbraw/zinc/41/61/68/577416168.db2.gz MUGWGLPOOFYRRR-UHFFFAOYSA-N 1 0 329.356 2.786 20 5 EFBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000770420706 577417185 /nfs/dbraw/zinc/41/71/85/577417185.db2.gz ORAZHJISKNKCDI-UHFFFAOYSA-N 1 0 344.314 2.839 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771916405 581258779 /nfs/dbraw/zinc/25/87/79/581258779.db2.gz OOAXRHNSUIYUEE-CYBMUJFWSA-N 1 0 340.811 2.699 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2cccc(F)c2)n1 ZINC000774148162 581485614 /nfs/dbraw/zinc/48/56/14/581485614.db2.gz PSTWNTBDIPQXLM-XHSDSOJGSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCNc2ccccc2)n1 ZINC000774219523 581487431 /nfs/dbraw/zinc/48/74/31/581487431.db2.gz RNZNINOABRIIFZ-HOTGVXAUSA-N 1 0 329.404 2.977 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000774224033 581487538 /nfs/dbraw/zinc/48/75/38/581487538.db2.gz GRRLFHZLBKYXAR-UKRRQHHQSA-N 1 0 345.359 2.973 20 5 EFBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774231970 581487679 /nfs/dbraw/zinc/48/76/79/581487679.db2.gz JZJZYMUOALHHKQ-BARDWOONSA-N 1 0 348.403 2.970 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000774232463 581487761 /nfs/dbraw/zinc/48/77/61/581487761.db2.gz YTKXSFHCKHWKLA-GJZGRUSLSA-N 1 0 345.359 2.973 20 5 EFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000774619709 581495380 /nfs/dbraw/zinc/49/53/80/581495380.db2.gz QYTMLTPNFWESBU-DZGCQCFKSA-N 1 0 344.415 2.934 20 5 EFBDRO COC(C)(C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641122 581496094 /nfs/dbraw/zinc/49/60/94/581496094.db2.gz XISPPRGDIFCLIE-UHFFFAOYSA-N 1 0 326.784 2.912 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820427226 599382215 /nfs/dbraw/zinc/38/22/15/599382215.db2.gz QLUPQAAUFNQXLN-GFCCVEGCSA-N 1 0 338.371 2.668 20 5 EFBDRO CC(C)[NH+](CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)C ZINC000820116367 606036911 /nfs/dbraw/zinc/03/69/11/606036911.db2.gz JAWKHXRVAUYDRM-UHFFFAOYSA-N 1 0 347.423 2.696 20 5 EFBDRO CN(CCCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001752043823 1249214098 /nfs/dbraw/zinc/21/40/98/1249214098.db2.gz IBSPUARKSSIFNU-UHFFFAOYSA-N 1 0 325.434 2.785 20 5 EFBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167901491 1249969487 /nfs/dbraw/zinc/96/94/87/1249969487.db2.gz SHUHURUVXFFXIY-QGZVFWFLSA-N 1 0 343.383 2.954 20 5 EFBDRO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000733868378 1265450192 /nfs/dbraw/zinc/45/01/92/1265450192.db2.gz DYEYVTHUBUHMOE-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000850449321 1250489905 /nfs/dbraw/zinc/48/99/05/1250489905.db2.gz VMNLSRKQEBWIBL-JSGCOSHPSA-N 1 0 336.388 2.940 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850503148 1250511508 /nfs/dbraw/zinc/51/15/08/1250511508.db2.gz UQBLVBSMAYQMJM-WJNFTWJOSA-N 1 0 325.434 2.517 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000850547957 1250530072 /nfs/dbraw/zinc/53/00/72/1250530072.db2.gz LBTUBQWMKHZKAE-QGZVFWFLSA-N 1 0 343.383 2.972 20 5 EFBDRO CC(C)(COC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000851129614 1250817090 /nfs/dbraw/zinc/81/70/90/1250817090.db2.gz MREGPZMFGIUKEU-UHFFFAOYSA-N 1 0 334.416 2.887 20 5 EFBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH3+] ZINC000720766024 1251381176 /nfs/dbraw/zinc/38/11/76/1251381176.db2.gz GDWUODUDRSPHMZ-GFCCVEGCSA-N 1 0 328.210 2.526 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107275391 1255498876 /nfs/dbraw/zinc/49/88/76/1255498876.db2.gz UERGUDHVRJMPHB-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO CC1(CC(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000996810807 1256145576 /nfs/dbraw/zinc/14/55/76/1256145576.db2.gz KRGIFEAVYNBOCT-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922432371 1266028360 /nfs/dbraw/zinc/02/83/60/1266028360.db2.gz PXWVMECPIYTLHW-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO Cc1cocc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996881245 1256320448 /nfs/dbraw/zinc/32/04/48/1256320448.db2.gz DTJDOKJNXXVHMV-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO Cc1cocc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996883144 1256329998 /nfs/dbraw/zinc/32/99/98/1256329998.db2.gz ONWXWKLMOYBIFH-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO Cc1coc(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000996895600 1256390371 /nfs/dbraw/zinc/39/03/71/1256390371.db2.gz NTABMMAHQPMSLE-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996898357 1256399797 /nfs/dbraw/zinc/39/97/97/1256399797.db2.gz BFJZIDJHJFJOLG-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO CCC1(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000996955915 1256579218 /nfs/dbraw/zinc/57/92/18/1256579218.db2.gz GVGPSPJEWOLBIK-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CCOc1cnc(N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168545028 1257042909 /nfs/dbraw/zinc/04/29/09/1257042909.db2.gz NLHJKFQSIXCDTO-GFCCVEGCSA-N 1 0 328.372 2.973 20 5 EFBDRO CN1Cc2cc(N3C[C@H](CC[NH3+])c4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001168555630 1257628575 /nfs/dbraw/zinc/62/85/75/1257628575.db2.gz PIUNQEJHGVRORP-LBPRGKRZSA-N 1 0 339.399 2.951 20 5 EFBDRO CN1Cc2cc(N3C[C@@H](CC[NH3+])c4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001168555629 1257629296 /nfs/dbraw/zinc/62/92/96/1257629296.db2.gz PIUNQEJHGVRORP-GFCCVEGCSA-N 1 0 339.399 2.951 20 5 EFBDRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997472088 1257684202 /nfs/dbraw/zinc/68/42/02/1257684202.db2.gz VOGOLAHIBWFTFR-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO O=C(c1ccco1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997478376 1257749567 /nfs/dbraw/zinc/74/95/67/1257749567.db2.gz UPIVVCOOQNXHFB-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO CC(C)=CC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997495207 1257789805 /nfs/dbraw/zinc/78/98/05/1257789805.db2.gz JZTKJLPCGUFTIM-UHFFFAOYSA-N 1 0 337.445 2.951 20 5 EFBDRO CCC1(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc(Cl)c2C)C[NH2+]C1 ZINC001168582959 1258070371 /nfs/dbraw/zinc/07/03/71/1258070371.db2.gz ALJLNMZZKZMAJL-UHFFFAOYSA-N 1 0 347.806 2.599 20 5 EFBDRO O=C(C1CC=CC1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997638554 1258142770 /nfs/dbraw/zinc/14/27/70/1258142770.db2.gz RYLPMTKUGOYXLZ-UHFFFAOYSA-N 1 0 343.427 2.889 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168602471 1258494746 /nfs/dbraw/zinc/49/47/46/1258494746.db2.gz OOVNNZRNEYGZKR-WFASDCNBSA-N 1 0 335.404 2.975 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000444804674 1259009161 /nfs/dbraw/zinc/00/91/61/1259009161.db2.gz QBBHVPOPCFXKCG-CQSZACIVSA-N 1 0 330.388 2.717 20 5 EFBDRO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946483533 1259242990 /nfs/dbraw/zinc/24/29/90/1259242990.db2.gz VZHODHOLNDCSFO-CALCHBBNSA-N 1 0 345.443 2.921 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000922563669 1266258222 /nfs/dbraw/zinc/25/82/22/1266258222.db2.gz KOHADVULQWKFCR-QGZVFWFLSA-N 1 0 334.347 2.740 20 5 EFBDRO CC(C)[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000843103941 1259485903 /nfs/dbraw/zinc/48/59/03/1259485903.db2.gz FFWCUSLBQVCXPM-CYBMUJFWSA-N 1 0 342.237 2.787 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCN3C)o2)c([N+](=O)[O-])c1 ZINC000922574895 1266286398 /nfs/dbraw/zinc/28/63/98/1266286398.db2.gz BVSMKTAZMDJSIK-GFCCVEGCSA-N 1 0 331.372 2.657 20 5 EFBDRO Cc1nc(Nc2ccc(Br)cc2C[NH3+])ncc1[N+](=O)[O-] ZINC001161852659 1266397723 /nfs/dbraw/zinc/39/77/23/1266397723.db2.gz AAAVBONTLQHYGL-UHFFFAOYSA-N 1 0 338.165 2.658 20 5 EFBDRO COc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000131738202 1261406956 /nfs/dbraw/zinc/40/69/56/1261406956.db2.gz JLTVWTHUAAFKKD-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923381653 1261580368 /nfs/dbraw/zinc/58/03/68/1261580368.db2.gz VOBVEZGYQFJDEE-AWEZNQCLSA-N 1 0 340.221 2.685 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923382395 1261581079 /nfs/dbraw/zinc/58/10/79/1261581079.db2.gz PQSDZPFBUGARHP-CHWSQXEVSA-N 1 0 328.210 2.717 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923397738 1261605314 /nfs/dbraw/zinc/60/53/14/1261605314.db2.gz GFUYTENTTBRXIM-FZMZJTMJSA-N 1 0 340.221 2.671 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000922642913 1266505244 /nfs/dbraw/zinc/50/52/44/1266505244.db2.gz IVTWYUUPLFIYNF-IAQYHMDHSA-N 1 0 332.356 2.988 20 5 EFBDRO Cc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1Br ZINC000921863703 1262940777 /nfs/dbraw/zinc/94/07/77/1262940777.db2.gz WZKGHRBDTATHMB-UHFFFAOYSA-N 1 0 339.193 2.652 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165070967 1263248416 /nfs/dbraw/zinc/24/84/16/1263248416.db2.gz BPXIPDHMAMJMHH-VIFPVBQESA-N 1 0 334.754 2.719 20 5 EFBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001128289510 1264150612 /nfs/dbraw/zinc/15/06/12/1264150612.db2.gz JNMNKURTFWIDNT-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO C[NH+](C)CCCC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089985574 1264326958 /nfs/dbraw/zinc/32/69/58/1264326958.db2.gz MUKIAZUMBNGMLE-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001003474866 1264798216 /nfs/dbraw/zinc/79/82/16/1264798216.db2.gz KMZCWXQWVUOYGB-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccc(Br)cc21 ZINC001230776106 1264817692 /nfs/dbraw/zinc/81/76/92/1264817692.db2.gz DJNRWARXXUEZMJ-SECBINFHSA-O 1 0 341.229 2.571 20 5 EFBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168714237 1265014242 /nfs/dbraw/zinc/01/42/42/1265014242.db2.gz SXACJXCEQWFYHI-UHFFFAOYSA-N 1 0 341.346 2.791 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000824683361 1278246269 /nfs/dbraw/zinc/24/62/69/1278246269.db2.gz FKEULISEZPGWAD-AWEZNQCLSA-N 1 0 327.812 2.841 20 5 EFBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168716645 1265116234 /nfs/dbraw/zinc/11/62/34/1265116234.db2.gz DCJLBTLWAVIAEZ-UHFFFAOYSA-N 1 0 341.346 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](C4CCC4)CC3)c2c1 ZINC000733297621 1265164616 /nfs/dbraw/zinc/16/46/16/1265164616.db2.gz MBNWBAUMRIAYRK-UHFFFAOYSA-N 1 0 348.428 3.000 20 5 EFBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCOCC1 ZINC000733793118 1265408242 /nfs/dbraw/zinc/40/82/42/1265408242.db2.gz HZBGKUFDSKMGDL-UHFFFAOYSA-N 1 0 336.417 2.727 20 5 EFBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000922639735 1266496440 /nfs/dbraw/zinc/49/64/40/1266496440.db2.gz PGFTXHMTERTHPG-INIZCTEOSA-N 1 0 343.383 2.955 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824765049 1278270701 /nfs/dbraw/zinc/27/07/01/1278270701.db2.gz SERNFBVEDFFALL-CWRNSKLLSA-N 1 0 331.416 2.687 20 5 EFBDRO C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922854048 1267044201 /nfs/dbraw/zinc/04/42/01/1267044201.db2.gz TWGFHDUZWJTHCB-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000738145349 1268397533 /nfs/dbraw/zinc/39/75/33/1268397533.db2.gz UFJQVLLKFHKITM-GFCCVEGCSA-N 1 0 336.417 2.855 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017259 1269249186 /nfs/dbraw/zinc/24/91/86/1269249186.db2.gz MJVVJBUMDSTDSY-FRRDWIJNSA-N 1 0 336.388 2.908 20 5 EFBDRO CN(C(=O)C1CC=CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005197121 1269401615 /nfs/dbraw/zinc/40/16/15/1269401615.db2.gz DNGFOHWXSLYBEQ-UHFFFAOYSA-N 1 0 343.427 2.984 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001086018100 1269540244 /nfs/dbraw/zinc/54/02/44/1269540244.db2.gz CNAPPWODHLSHMQ-OKILXGFUSA-N 1 0 345.424 2.955 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001086021537 1269548701 /nfs/dbraw/zinc/54/87/01/1269548701.db2.gz AKKKYDRDJXDBAK-OTVXOJSOSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086024044 1269581657 /nfs/dbraw/zinc/58/16/57/1269581657.db2.gz AENTWYXEDOIGOV-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=CCCC1 ZINC001086059389 1269728652 /nfs/dbraw/zinc/72/86/52/1269728652.db2.gz CZJXNTOQDNYZPO-VDISTLRHSA-N 1 0 335.429 2.751 20 5 EFBDRO O=[N+]([O-])c1cn(C[NH+]2CCc3ccccc3CC2)nc1-c1ccncc1 ZINC000742151915 1269914656 /nfs/dbraw/zinc/91/46/56/1269914656.db2.gz BCCJACLLJISCMM-UHFFFAOYSA-N 1 0 349.394 2.912 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000843831766 1270070427 /nfs/dbraw/zinc/07/04/27/1270070427.db2.gz RCZYLKGSXXVGDS-JSGCOSHPSA-N 1 0 335.379 2.599 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086172141 1270341326 /nfs/dbraw/zinc/34/13/26/1270341326.db2.gz MLLTWOIWAQRLSJ-ZOGDPKMRSA-N 1 0 343.427 2.625 20 5 EFBDRO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743263863 1270496219 /nfs/dbraw/zinc/49/62/19/1270496219.db2.gz KNOMYTJDAMHNJK-NUEKZKHPSA-N 1 0 338.452 2.594 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743394146 1270563839 /nfs/dbraw/zinc/56/38/39/1270563839.db2.gz JGVGNXMHKVSPMF-GOSISDBHSA-N 1 0 343.431 2.832 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000743378125 1270569957 /nfs/dbraw/zinc/56/99/57/1270569957.db2.gz VXJBQDWAWSKITO-QGZVFWFLSA-N 1 0 343.431 2.572 20 5 EFBDRO CCO[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000701699109 1270593952 /nfs/dbraw/zinc/59/39/52/1270593952.db2.gz HJVZJGFYOQHJTB-NSHDSACASA-N 1 0 329.194 2.968 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000743812873 1270764810 /nfs/dbraw/zinc/76/48/10/1270764810.db2.gz FUGXRVHNQYZHEL-SNVBAGLBSA-N 1 0 326.784 2.854 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480931 1278584044 /nfs/dbraw/zinc/58/40/44/1278584044.db2.gz CMWDWVDWISXYFB-RYUDHWBXSA-N 1 0 337.807 2.913 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000744026201 1270836108 /nfs/dbraw/zinc/83/61/08/1270836108.db2.gz UNBARQPKVSEZCK-UHFFFAOYSA-N 1 0 348.447 2.708 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC001086291778 1270846009 /nfs/dbraw/zinc/84/60/09/1270846009.db2.gz WXEPPGFNHSPSNM-SAZUREKKSA-N 1 0 331.416 2.769 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086303459 1270908817 /nfs/dbraw/zinc/90/88/17/1270908817.db2.gz HIDIJXUZGQPXGG-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086308227 1270930376 /nfs/dbraw/zinc/93/03/76/1270930376.db2.gz MSYHYTBAGZGYMO-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086308086 1270930591 /nfs/dbraw/zinc/93/05/91/1270930591.db2.gz HFNFOXPVVAKNNE-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO C[NH+](C)CCCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000792120511 1278596258 /nfs/dbraw/zinc/59/62/58/1278596258.db2.gz PNGKCMOAFRBVHP-UHFFFAOYSA-N 1 0 332.809 2.835 20 5 EFBDRO CC(C)c1nccn1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000744408197 1271030962 /nfs/dbraw/zinc/03/09/62/1271030962.db2.gz OFJTVDDXVZXXIP-UHFFFAOYSA-N 1 0 336.779 2.998 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=CCCC1 ZINC001086340631 1271065630 /nfs/dbraw/zinc/06/56/30/1271065630.db2.gz CZJXNTOQDNYZPO-YEORSEQZSA-N 1 0 335.429 2.751 20 5 EFBDRO CCOC(=O)CC[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000745437284 1271476252 /nfs/dbraw/zinc/47/62/52/1271476252.db2.gz FAGSGLZXAOIZCD-UHFFFAOYSA-N 1 0 346.387 2.567 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000843892852 1278641457 /nfs/dbraw/zinc/64/14/57/1278641457.db2.gz HPVKAGBJQKPPKI-GFCCVEGCSA-N 1 0 349.406 2.989 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086448795 1271526034 /nfs/dbraw/zinc/52/60/34/1271526034.db2.gz XZJTWOJAWNBARO-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086454444 1271562085 /nfs/dbraw/zinc/56/20/85/1271562085.db2.gz MLLTWOIWAQRLSJ-ZUFZQKGWSA-N 1 0 343.427 2.625 20 5 EFBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746049362 1271743553 /nfs/dbraw/zinc/74/35/53/1271743553.db2.gz PXEQWERCUNYGLR-LBPRGKRZSA-N 1 0 331.347 2.815 20 5 EFBDRO CC(C)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034575194 1272317445 /nfs/dbraw/zinc/31/74/45/1272317445.db2.gz AFLWWLIAVFOMLT-HAQNSBGRSA-N 1 0 343.424 2.921 20 5 EFBDRO [NH3+][C@H]1CCc2nn(-c3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2C1 ZINC001168809653 1272416274 /nfs/dbraw/zinc/41/62/74/1272416274.db2.gz UABKKLDTHHNWTR-AWEZNQCLSA-N 1 0 335.367 2.659 20 5 EFBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001034653574 1272443890 /nfs/dbraw/zinc/44/38/90/1272443890.db2.gz NHHQOUPQYBICLH-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168977302 1272548487 /nfs/dbraw/zinc/54/84/87/1272548487.db2.gz JGERTBAKHWDSSI-CQDKDKBSSA-N 1 0 340.807 2.979 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168979901 1272550287 /nfs/dbraw/zinc/55/02/87/1272550287.db2.gz CAYCLEKZZHXVBU-KBPBESRZSA-N 1 0 341.452 2.859 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956562 1272554962 /nfs/dbraw/zinc/55/49/62/1272554962.db2.gz BQEFZHFPMQZAAT-QPSCCSFWSA-N 1 0 341.452 2.524 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168958365 1272555503 /nfs/dbraw/zinc/55/55/03/1272555503.db2.gz NEMVVEKKDHMSPV-GJZGRUSLSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168958467 1272555623 /nfs/dbraw/zinc/55/56/23/1272555623.db2.gz NEMVVEKKDHMSPV-LSDHHAIUSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961277 1272556613 /nfs/dbraw/zinc/55/66/13/1272556613.db2.gz INFJKDWVTPPEBH-BARDWOONSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961281 1272557130 /nfs/dbraw/zinc/55/71/30/1272557130.db2.gz INFJKDWVTPPEBH-XQLPTFJDSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964702 1272557921 /nfs/dbraw/zinc/55/79/21/1272557921.db2.gz VJFRAKRTDQZWBZ-BYNSBNAKSA-N 1 0 341.452 2.857 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(Br)cc3C2)C1 ZINC001168964422 1272558403 /nfs/dbraw/zinc/55/84/03/1272558403.db2.gz SGYKAQMCLXQWJA-ONERCXAPSA-N 1 0 339.233 2.951 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)C1 ZINC001168968376 1272561408 /nfs/dbraw/zinc/56/14/08/1272561408.db2.gz YICDMNHFOMEECD-YOEHRIQHSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001168973346 1272564546 /nfs/dbraw/zinc/56/45/46/1272564546.db2.gz OLGZFIQRYKNYAA-RISCZKNCSA-N 1 0 344.333 2.966 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168974039 1272565293 /nfs/dbraw/zinc/56/52/93/1272565293.db2.gz PZEDZNPURWZZPF-JKIFEVAISA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3cc(Br)ccc32)C1 ZINC001168991392 1272568972 /nfs/dbraw/zinc/56/89/72/1272568972.db2.gz GRBWBDFDSSRPEE-IRUJWGPZSA-N 1 0 341.205 2.918 20 5 EFBDRO COc1cccc(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996049 1272573664 /nfs/dbraw/zinc/57/36/64/1272573664.db2.gz UMNAMUKKMZGKFK-WMZOPIPTSA-N 1 0 347.459 2.695 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)C1 ZINC001168997150 1272573832 /nfs/dbraw/zinc/57/38/32/1272573832.db2.gz XXQLGAWREVOOLM-KBMXLJTQSA-N 1 0 337.851 2.949 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccc(F)cc3)cn2)C1 ZINC001168997775 1272575215 /nfs/dbraw/zinc/57/52/15/1272575215.db2.gz FUVGERQWZVOUNJ-GDBMZVCRSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169000739 1272576318 /nfs/dbraw/zinc/57/63/18/1272576318.db2.gz AZHGEFCSCNMSMV-VBNZEHGJSA-N 1 0 334.416 2.596 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169000774 1272577100 /nfs/dbraw/zinc/57/71/00/1272577100.db2.gz BQVJSKXETJSKPZ-PVUWLOKVSA-N 1 0 332.400 2.886 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169000773 1272577254 /nfs/dbraw/zinc/57/72/54/1272577254.db2.gz BQVJSKXETJSKPZ-NUTKFTJISA-N 1 0 332.400 2.886 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1Br ZINC001169004984 1272578415 /nfs/dbraw/zinc/57/84/15/1272578415.db2.gz TWBIIYTWXIFNMH-NWDGAFQWSA-N 1 0 343.221 2.993 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001169005877 1272580606 /nfs/dbraw/zinc/58/06/06/1272580606.db2.gz VIMRZVUCMDYJJS-BARDWOONSA-N 1 0 341.452 2.667 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC001169007427 1272580670 /nfs/dbraw/zinc/58/06/70/1272580670.db2.gz NQPWCQVTRIREFS-QWHCGFSZSA-N 1 0 325.359 2.532 20 5 EFBDRO CCOc1ccccc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006197 1272581007 /nfs/dbraw/zinc/58/10/07/1272581007.db2.gz FZAPSPMEDJQFAM-HZPDHXFCSA-N 1 0 333.432 2.653 20 5 EFBDRO CCOC(=O)Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169010130 1272583023 /nfs/dbraw/zinc/58/30/23/1272583023.db2.gz BKVZIGQIZRTPRL-QAPCUYQASA-N 1 0 346.427 2.596 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009748 1272583646 /nfs/dbraw/zinc/58/36/46/1272583646.db2.gz XXTTZGYNZDEUPL-QAPCUYQASA-N 1 0 326.400 2.924 20 5 EFBDRO CCOC(=O)Cc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169010129 1272583717 /nfs/dbraw/zinc/58/37/17/1272583717.db2.gz BKVZIGQIZRTPRL-MAUKXSAKSA-N 1 0 346.427 2.596 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3nsc4ccccc43)CC2)C1 ZINC001169010652 1272583887 /nfs/dbraw/zinc/58/38/87/1272583887.db2.gz FGMOSTOCFCORQV-KBPBESRZSA-N 1 0 346.456 2.864 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169011603 1272584590 /nfs/dbraw/zinc/58/45/90/1272584590.db2.gz LJRIWZCWLYEDLD-KBPBESRZSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011102 1272585111 /nfs/dbraw/zinc/58/51/11/1272585111.db2.gz IKOUXZVCGILBED-KBXIAJHMSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014023 1272585487 /nfs/dbraw/zinc/58/54/87/1272585487.db2.gz XYBOIXNFJIWCFU-RRFJBIMHSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013118 1272585727 /nfs/dbraw/zinc/58/57/27/1272585727.db2.gz UFSSYYKDCDYKPB-BARDWOONSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168986713 1272587587 /nfs/dbraw/zinc/58/75/87/1272587587.db2.gz YQQIEZMAMVRJGW-SOUVJXGZSA-N 1 0 343.468 2.961 20 5 EFBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988298 1272588260 /nfs/dbraw/zinc/58/82/60/1272588260.db2.gz QNPMODFAWSAQSM-AJNGGQMLSA-N 1 0 341.452 2.667 20 5 EFBDRO CCCN(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168986770 1272588454 /nfs/dbraw/zinc/58/84/54/1272588454.db2.gz ZCTQNJWTIVTMLR-KBPBESRZSA-N 1 0 329.441 2.669 20 5 EFBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988299 1272588582 /nfs/dbraw/zinc/58/85/82/1272588582.db2.gz QNPMODFAWSAQSM-XGUBFFRZSA-N 1 0 341.452 2.667 20 5 EFBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987872 1272588745 /nfs/dbraw/zinc/58/87/45/1272588745.db2.gz KZRGSBPYENKKDL-QPSCCSFWSA-N 1 0 341.452 2.809 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168986759 1272588845 /nfs/dbraw/zinc/58/88/45/1272588845.db2.gz ZAOAXVVWMFDWCF-RRFJBIMHSA-N 1 0 341.452 2.669 20 5 EFBDRO CC[C@H](CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988588 1272590784 /nfs/dbraw/zinc/59/07/84/1272590784.db2.gz SSAJOEWIWDMTGE-MGPQQGTHSA-N 1 0 329.441 2.715 20 5 EFBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169030268 1272594342 /nfs/dbraw/zinc/59/43/42/1272594342.db2.gz XQZFYEMGPBXFCF-IIDMSEBBSA-N 1 0 334.416 2.984 20 5 EFBDRO O=C1OC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169033206 1272596629 /nfs/dbraw/zinc/59/66/29/1272596629.db2.gz BJIBBMPOTVEGEG-KGLIPLIRSA-N 1 0 330.384 2.594 20 5 EFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035618 1272598081 /nfs/dbraw/zinc/59/80/81/1272598081.db2.gz KVBIOLSXZWWMGO-FRRDWIJNSA-N 1 0 338.477 2.504 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035621 1272598456 /nfs/dbraw/zinc/59/84/56/1272598456.db2.gz KWZDCEVOPLNIPT-KGLIPLIRSA-N 1 0 341.452 2.811 20 5 EFBDRO O=c1oc2ccccc2n1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035604 1272598918 /nfs/dbraw/zinc/59/89/18/1272598918.db2.gz KUSXCSHKTKWULM-HIFRSBDPSA-N 1 0 345.399 2.677 20 5 EFBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001169035526 1272599356 /nfs/dbraw/zinc/59/93/56/1272599356.db2.gz BTOMFVQLYUQWJX-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034916 1272599616 /nfs/dbraw/zinc/59/96/16/1272599616.db2.gz INOXOSDLIIHNRK-QPSCCSFWSA-N 1 0 341.452 2.809 20 5 EFBDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035793 1272600964 /nfs/dbraw/zinc/60/09/64/1272600964.db2.gz CIKWJOZQNHAYKV-USXIJHARSA-N 1 0 336.432 2.978 20 5 EFBDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035730 1272602012 /nfs/dbraw/zinc/60/20/12/1272602012.db2.gz LMDKPAVMFTZGNY-ZIAGYGMSSA-N 1 0 343.427 2.990 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC001169037956 1272604797 /nfs/dbraw/zinc/60/47/97/1272604797.db2.gz UIPISJRRTVQXRA-WMLDXEAASA-N 1 0 326.400 2.676 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038307 1272605853 /nfs/dbraw/zinc/60/58/53/1272605853.db2.gz XXJKVRXALDKRGT-OCCSQVGLSA-N 1 0 325.359 2.532 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC001169037954 1272606225 /nfs/dbraw/zinc/60/62/25/1272606225.db2.gz UIPISJRRTVQXRA-PBHICJAKSA-N 1 0 326.400 2.676 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039461 1272607314 /nfs/dbraw/zinc/60/73/14/1272607314.db2.gz POXVFRYSEOITBZ-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039838 1272607790 /nfs/dbraw/zinc/60/77/90/1272607790.db2.gz UREZACGSHHJFJE-KBPBESRZSA-N 1 0 329.441 2.667 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC001169040012 1272609887 /nfs/dbraw/zinc/60/98/87/1272609887.db2.gz WXWHXFIPWLOFJV-RDJZCZTQSA-N 1 0 340.427 2.802 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)C1 ZINC001169040197 1272610234 /nfs/dbraw/zinc/61/02/34/1272610234.db2.gz YPNHLKUTBNONDZ-KBXIAJHMSA-N 1 0 338.411 2.962 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC001169040011 1272611371 /nfs/dbraw/zinc/61/13/71/1272611371.db2.gz WXWHXFIPWLOFJV-NVXWUHKLSA-N 1 0 340.427 2.802 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169042800 1272612830 /nfs/dbraw/zinc/61/28/30/1272612830.db2.gz FUKURJSMUKQBOJ-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001169026403 1272621777 /nfs/dbraw/zinc/62/17/77/1272621777.db2.gz LSLGWGPKGVPJBM-CRAIPNDOSA-N 1 0 326.400 2.924 20 5 EFBDRO Cc1ccc2nc(C3CC[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)nn2c1 ZINC001169025361 1272622432 /nfs/dbraw/zinc/62/24/32/1272622432.db2.gz TZBSDAGDUSRTTP-GDBMZVCRSA-N 1 0 343.431 2.663 20 5 EFBDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169026468 1272622994 /nfs/dbraw/zinc/62/29/94/1272622994.db2.gz XHAHCIDGSPTRQQ-YYWYGQEZSA-N 1 0 340.464 2.726 20 5 EFBDRO CCOC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026776 1272623641 /nfs/dbraw/zinc/62/36/41/1272623641.db2.gz NYJGMJYSORSUCX-BRWVUGGUSA-N 1 0 340.464 2.587 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048734 1272626728 /nfs/dbraw/zinc/62/67/28/1272626728.db2.gz BCWFLYVYLNECHV-KZNAEPCWSA-N 1 0 346.427 2.887 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169050431 1272628728 /nfs/dbraw/zinc/62/87/28/1272628728.db2.gz ZPGBDCKNJUMEMF-BARDWOONSA-N 1 0 341.452 2.667 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055327 1272632176 /nfs/dbraw/zinc/63/21/76/1272632176.db2.gz POXVFRYSEOITBZ-BARDWOONSA-N 1 0 341.452 2.667 20 5 EFBDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054965 1272633141 /nfs/dbraw/zinc/63/31/41/1272633141.db2.gz OPUOYRZRZHDYKG-BPUTZDHNSA-N 1 0 344.415 2.554 20 5 EFBDRO COc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001169146632 1272708072 /nfs/dbraw/zinc/70/80/72/1272708072.db2.gz WFVOYOMMURJVQZ-BDJLRTHQSA-N 1 0 337.424 2.657 20 5 EFBDRO COc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001169146637 1272708549 /nfs/dbraw/zinc/70/85/49/1272708549.db2.gz WFVOYOMMURJVQZ-ZBEGNZNMSA-N 1 0 337.424 2.657 20 5 EFBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1 ZINC001169230513 1272748056 /nfs/dbraw/zinc/74/80/56/1272748056.db2.gz STNOJAVJRGCPPR-GFCCVEGCSA-N 1 0 339.355 2.774 20 5 EFBDRO [NH3+]Cc1cnnn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001169308149 1272826659 /nfs/dbraw/zinc/82/66/59/1272826659.db2.gz IQJCLNYBXSFPKN-UHFFFAOYSA-N 1 0 326.363 2.976 20 5 EFBDRO Cc1cscc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156296223 1272839778 /nfs/dbraw/zinc/83/97/78/1272839778.db2.gz JAPBADJLEOTBAG-UHFFFAOYSA-N 1 0 339.442 2.936 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000703868672 1273014057 /nfs/dbraw/zinc/01/40/57/1273014057.db2.gz FXFYZEPRMKWAQI-PHIMTYICSA-N 1 0 329.194 2.560 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCc3ccccc3[C@H]1O)C[NH2+]C2 ZINC001169619178 1273059342 /nfs/dbraw/zinc/05/93/42/1273059342.db2.gz HWQFSNRIRFWSAG-MAUKXSAKSA-N 1 0 325.368 2.658 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001169683787 1273088721 /nfs/dbraw/zinc/08/87/21/1273088721.db2.gz OTIDDVNEMGGKQT-AWEZNQCLSA-N 1 0 328.372 2.777 20 5 EFBDRO COc1ncc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169686249 1273091220 /nfs/dbraw/zinc/09/12/20/1273091220.db2.gz WZTYHHZISHNSDK-GFCCVEGCSA-N 1 0 329.360 2.634 20 5 EFBDRO CN(C)c1ccc(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001169709982 1273113028 /nfs/dbraw/zinc/11/30/28/1273113028.db2.gz DYLONCPYVUREOW-UHFFFAOYSA-N 1 0 325.372 2.501 20 5 EFBDRO COc1cc(-n2cc(CC[NH3+])c3ncccc32)cc([N+](=O)[O-])c1C ZINC001169710885 1273113177 /nfs/dbraw/zinc/11/31/77/1273113177.db2.gz SCHFJEHZPDXVDT-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO COc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)cc1F ZINC001169710168 1273113361 /nfs/dbraw/zinc/11/33/61/1273113361.db2.gz FFGJBMFHCVZQPA-UHFFFAOYSA-N 1 0 330.319 2.583 20 5 EFBDRO COc1c(F)cc(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169711361 1273113437 /nfs/dbraw/zinc/11/34/37/1273113437.db2.gz WLTPLETZCCJXTI-UHFFFAOYSA-N 1 0 330.319 2.583 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)n1 ZINC001169716126 1273118742 /nfs/dbraw/zinc/11/87/42/1273118742.db2.gz DJZSSFARUNGXKS-UHFFFAOYSA-N 1 0 327.797 2.790 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)c(C(F)(F)F)c1 ZINC001169797053 1273158303 /nfs/dbraw/zinc/15/83/03/1273158303.db2.gz WSWWDDRITFIJDM-UHFFFAOYSA-N 1 0 330.310 2.906 20 5 EFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000792474837 1278800027 /nfs/dbraw/zinc/80/00/27/1278800027.db2.gz WRYOOJZOLMAMCN-UHFFFAOYSA-N 1 0 345.193 2.774 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(o1)CCCC2 ZINC001129186137 1274164724 /nfs/dbraw/zinc/16/47/24/1274164724.db2.gz BQEPDLKDLZOYDH-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2c(o1)CCCC2 ZINC001129186853 1274166625 /nfs/dbraw/zinc/16/66/25/1274166625.db2.gz OSGFEQXWFBASQD-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001109465732 1274311063 /nfs/dbraw/zinc/31/10/63/1274311063.db2.gz QYAAZHIPWVVLNX-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC1CC[NH+](CC(=O)N(C)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001109498543 1274353795 /nfs/dbraw/zinc/35/37/95/1274353795.db2.gz ASZFBXIDVBGIMO-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO Cc1ccc(NCCCN(C)C(=O)C2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC001109547823 1274408406 /nfs/dbraw/zinc/40/84/06/1274408406.db2.gz XEICAGAXUCHSSP-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Clc1nc2ccc3ccccc3c2nc1NC[C@@H]1COCC[NH2+]1 ZINC001170041343 1275032723 /nfs/dbraw/zinc/03/27/23/1275032723.db2.gz HIEYPZIFPDQXRO-GFCCVEGCSA-N 1 0 328.803 2.837 20 5 EFBDRO COCC[N@H+](C)CCCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000785746969 1275191856 /nfs/dbraw/zinc/19/18/56/1275191856.db2.gz UWLWHDCYHRXMKY-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1)C(F)F ZINC001115375910 1275372485 /nfs/dbraw/zinc/37/24/85/1275372485.db2.gz ATGHSLOERORQEC-UHFFFAOYSA-N 1 0 347.387 2.830 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000786833768 1275537863 /nfs/dbraw/zinc/53/78/63/1275537863.db2.gz LUNLRFJYVNKESB-ZDUSSCGKSA-N 1 0 340.383 2.975 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000786815178 1275552209 /nfs/dbraw/zinc/55/22/09/1275552209.db2.gz ATKZCHFZNXZGLM-CYBMUJFWSA-N 1 0 340.383 2.975 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786849977 1275556998 /nfs/dbraw/zinc/55/69/98/1275556998.db2.gz YXJGEAVEYYLKGG-UMVBOHGHSA-N 1 0 346.431 2.654 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786849978 1275557523 /nfs/dbraw/zinc/55/75/23/1275557523.db2.gz YXJGEAVEYYLKGG-VNHYZAJKSA-N 1 0 346.431 2.654 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000786972295 1275594393 /nfs/dbraw/zinc/59/43/93/1275594393.db2.gz BBLOIMVKACFHTF-CQSZACIVSA-N 1 0 336.436 2.663 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170296713 1278981270 /nfs/dbraw/zinc/98/12/70/1278981270.db2.gz HTKJOEUAWRXRMU-GFCCVEGCSA-N 1 0 338.404 2.856 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC001170297428 1278981455 /nfs/dbraw/zinc/98/14/55/1278981455.db2.gz ODUCEBLWUDLVDS-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO CCOC(C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])OCC ZINC001170297899 1278981464 /nfs/dbraw/zinc/98/14/64/1278981464.db2.gz VGRJDFGAJXHAPU-LBPRGKRZSA-N 1 0 326.393 2.523 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001170299111 1278982328 /nfs/dbraw/zinc/98/23/28/1278982328.db2.gz PYEWJXOAOKTPMJ-GFCCVEGCSA-N 1 0 348.403 2.873 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnc3ccccn23)c([N+](=O)[O-])c1 ZINC001170299746 1278982450 /nfs/dbraw/zinc/98/24/50/1278982450.db2.gz WARMBGGGIOPNSV-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170306417 1278983037 /nfs/dbraw/zinc/98/30/37/1278983037.db2.gz UUFXUUBYSZEQQW-XIKOKIGWSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cccc(OC)n2)c([N+](=O)[O-])c1 ZINC001170298556 1278983696 /nfs/dbraw/zinc/98/36/96/1278983696.db2.gz MCWJJTLDGMGUIG-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170311355 1279006029 /nfs/dbraw/zinc/00/60/29/1279006029.db2.gz AVRKJDBQRWMYCV-NXXSPTCGSA-N 1 0 342.395 2.782 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc3ccnn32)c([N+](=O)[O-])c1 ZINC001170313950 1279008149 /nfs/dbraw/zinc/00/81/49/1279008149.db2.gz SBMQWRHMUZPBGC-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCO[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170317348 1279012345 /nfs/dbraw/zinc/01/23/45/1279012345.db2.gz GOHFITPVXGIUIM-GUYCJALGSA-N 1 0 338.404 2.667 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(CCO)c2)c([N+](=O)[O-])c1 ZINC001170318679 1279012403 /nfs/dbraw/zinc/01/24/03/1279012403.db2.gz RMRTZQRYPPQRPM-CQSZACIVSA-N 1 0 344.411 2.859 20 5 EFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000788688329 1276259743 /nfs/dbraw/zinc/25/97/43/1276259743.db2.gz SJMOSEPGXXYVII-FZMZJTMJSA-N 1 0 343.383 2.840 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncn2CC2CC2)c([N+](=O)[O-])c1 ZINC001170325252 1279016695 /nfs/dbraw/zinc/01/66/95/1279016695.db2.gz SWTSQNJCYRDITA-ZDUSSCGKSA-N 1 0 344.415 2.931 20 5 EFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788755608 1276290197 /nfs/dbraw/zinc/29/01/97/1276290197.db2.gz FYNYBPSPSJHMBH-XJKSGUPXSA-N 1 0 329.400 2.740 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2COc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326424 1279017577 /nfs/dbraw/zinc/01/75/77/1279017577.db2.gz JMWROIHCPORCKD-GXTWGEPZSA-N 1 0 343.383 2.695 20 5 EFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756939 1276290706 /nfs/dbraw/zinc/29/07/06/1276290706.db2.gz JYFYFBZNXIRSFA-XJKSGUPXSA-N 1 0 329.400 2.740 20 5 EFBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000788801728 1276317086 /nfs/dbraw/zinc/31/70/86/1276317086.db2.gz ZBHOFUDYNVXQEF-QWRGUYRKSA-N 1 0 338.408 2.741 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@](O)(CF)C2)c([N+](=O)[O-])c1 ZINC001170327807 1279019490 /nfs/dbraw/zinc/01/94/90/1279019490.db2.gz HZTZNCYFPXNSFJ-GUYCJALGSA-N 1 0 340.395 2.721 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](O)(CF)CC2)c([N+](=O)[O-])c1 ZINC001170329605 1279020847 /nfs/dbraw/zinc/02/08/47/1279020847.db2.gz SGUKJCIBBXQTHA-SUMWQHHRSA-N 1 0 340.395 2.721 20 5 EFBDRO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922931700 1276354776 /nfs/dbraw/zinc/35/47/76/1276354776.db2.gz XFWVVDAXTWXEHZ-LRVUVFPRSA-N 1 0 334.420 2.828 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001170330990 1279021781 /nfs/dbraw/zinc/02/17/81/1279021781.db2.gz MDHDOTINRKHMGW-PHZGNYQRSA-N 1 0 339.399 2.992 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC001170353088 1279032096 /nfs/dbraw/zinc/03/20/96/1279032096.db2.gz VOYJRCUODOTXSU-FZMZJTMJSA-N 1 0 346.387 2.715 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017647 1276433641 /nfs/dbraw/zinc/43/36/41/1276433641.db2.gz MCGWBUVJHHMQKX-GOSISDBHSA-N 1 0 331.416 2.860 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355059 1279034247 /nfs/dbraw/zinc/03/42/47/1279034247.db2.gz VMDVAMMFUCNQCA-ZBFHGGJFSA-N 1 0 335.448 2.949 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355521 1279035273 /nfs/dbraw/zinc/03/52/73/1279035273.db2.gz IKAKQVNUMHWIPD-NSHDSACASA-N 1 0 331.372 2.889 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818519044 1276525023 /nfs/dbraw/zinc/52/50/23/1276525023.db2.gz FCBLDDYDLHTQOZ-OAHLLOKOSA-N 1 0 345.802 2.810 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818519041 1276525086 /nfs/dbraw/zinc/52/50/86/1276525086.db2.gz FCBLDDYDLHTQOZ-HNNXBMFYSA-N 1 0 345.802 2.810 20 5 EFBDRO Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000818564038 1276534860 /nfs/dbraw/zinc/53/48/60/1276534860.db2.gz DTORTUCXJAKJHR-GFCCVEGCSA-N 1 0 344.346 2.506 20 5 EFBDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818962781 1276550821 /nfs/dbraw/zinc/55/08/21/1276550821.db2.gz YTZRIDPNWGAEOA-KRWDZBQOSA-N 1 0 344.415 2.659 20 5 EFBDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962689 1276551182 /nfs/dbraw/zinc/55/11/82/1276551182.db2.gz VKGCBJHMIHJFGF-KRWDZBQOSA-N 1 0 344.415 2.659 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCN2CCc3ccccc32)cc1 ZINC000818947228 1276555693 /nfs/dbraw/zinc/55/56/93/1276555693.db2.gz LLRUSUMAKOEEEH-LJQANCHMSA-N 1 0 341.411 2.671 20 5 EFBDRO CCOCc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818951906 1276556176 /nfs/dbraw/zinc/55/61/76/1276556176.db2.gz AWXOPRJXWVKAFU-SFHVURJKSA-N 1 0 330.384 2.955 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000818957012 1276558830 /nfs/dbraw/zinc/55/88/30/1276558830.db2.gz PSDDFZNKZOGCKP-RDTXWAMCSA-N 1 0 329.400 2.743 20 5 EFBDRO CCCOc1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818977232 1276560666 /nfs/dbraw/zinc/56/06/66/1276560666.db2.gz UERVNQYWLZAMPB-INIZCTEOSA-N 1 0 331.372 2.602 20 5 EFBDRO CCN(CC)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818980429 1276562256 /nfs/dbraw/zinc/56/22/56/1276562256.db2.gz KDJQZVHQVZJFAX-SJORKVTESA-N 1 0 347.415 2.894 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000818981783 1276562458 /nfs/dbraw/zinc/56/24/58/1276562458.db2.gz YYMLIZAEZNJWQW-RTBURBONSA-N 1 0 343.427 2.829 20 5 EFBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984123 1276563217 /nfs/dbraw/zinc/56/32/17/1276563217.db2.gz XNPYMOOTXGQIHM-KUHUBIRLSA-N 1 0 341.411 2.669 20 5 EFBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818984076 1276563506 /nfs/dbraw/zinc/56/35/06/1276563506.db2.gz WBHVAEQRGUEQES-AUUYWEPGSA-N 1 0 341.411 2.669 20 5 EFBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984122 1276563512 /nfs/dbraw/zinc/56/35/12/1276563512.db2.gz XNPYMOOTXGQIHM-IFXJQAMLSA-N 1 0 341.411 2.669 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000819042688 1276578731 /nfs/dbraw/zinc/57/87/31/1276578731.db2.gz RAPUWVNHGLIKTN-WMLDXEAASA-N 1 0 328.368 2.784 20 5 EFBDRO COc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000819014036 1276589768 /nfs/dbraw/zinc/58/97/68/1276589768.db2.gz KBIPFPUYUFAQRS-MRXNPFEDSA-N 1 0 334.347 2.608 20 5 EFBDRO COc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819014593 1276589889 /nfs/dbraw/zinc/58/98/89/1276589889.db2.gz QXYSGUMYLQOJIJ-INIZCTEOSA-N 1 0 334.347 2.608 20 5 EFBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104690 1276608811 /nfs/dbraw/zinc/60/88/11/1276608811.db2.gz RYGZGJCLSFDIPN-DLBZAZTESA-N 1 0 344.367 2.750 20 5 EFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819108495 1276633262 /nfs/dbraw/zinc/63/32/62/1276633262.db2.gz FYQBPMNWVNPWMD-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819108496 1276633870 /nfs/dbraw/zinc/63/38/70/1276633870.db2.gz FYQBPMNWVNPWMD-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819109732 1276634233 /nfs/dbraw/zinc/63/42/33/1276634233.db2.gz ZVPCSOADTDQBRJ-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000819113054 1276634486 /nfs/dbraw/zinc/63/44/86/1276634486.db2.gz KXRIFSVPYYHLAA-PXAZEXFGSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819110815 1276634991 /nfs/dbraw/zinc/63/49/91/1276634991.db2.gz JOTXGAXHYRFWKG-SJKOYZFVSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116460 1276637339 /nfs/dbraw/zinc/63/73/39/1276637339.db2.gz YLWKOAIHFLLTMS-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819115684 1276638140 /nfs/dbraw/zinc/63/81/40/1276638140.db2.gz NUPLRFJIHKYQIK-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819182019 1276660372 /nfs/dbraw/zinc/66/03/72/1276660372.db2.gz GKVVUPCPTVKUNG-YJBOKZPZSA-N 1 0 335.448 2.586 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819182080 1276660747 /nfs/dbraw/zinc/66/07/47/1276660747.db2.gz HQLVBZQNOJYVFV-MAUKXSAKSA-N 1 0 335.448 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000819196974 1276671684 /nfs/dbraw/zinc/67/16/84/1276671684.db2.gz GBEQZUIAESNKAB-KBUPBQIOSA-N 1 0 340.470 2.597 20 5 EFBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170773470 1287236895 /nfs/dbraw/zinc/23/68/95/1287236895.db2.gz HKCQPLVEICLGHH-FZKQIMNGSA-N 1 0 344.418 2.928 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000819327771 1276730161 /nfs/dbraw/zinc/73/01/61/1276730161.db2.gz IANYPTTUDTUXJW-RDTXWAMCSA-N 1 0 345.374 2.636 20 5 EFBDRO CC[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819339263 1276734087 /nfs/dbraw/zinc/73/40/87/1276734087.db2.gz NCSBHCOBBGFMKA-YPMHNXCESA-N 1 0 336.310 2.575 20 5 EFBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819345974 1276736169 /nfs/dbraw/zinc/73/61/69/1276736169.db2.gz RIPVCIBIAKAUOD-MSOLQXFVSA-N 1 0 330.384 2.780 20 5 EFBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819352366 1276740421 /nfs/dbraw/zinc/74/04/21/1276740421.db2.gz MULVPUYUIBPOIP-KSZLIROESA-N 1 0 328.368 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000819351633 1276740909 /nfs/dbraw/zinc/74/09/09/1276740909.db2.gz AGELYQQEYILJOP-ZTFGCOKTSA-N 1 0 343.383 2.533 20 5 EFBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819321359 1276745273 /nfs/dbraw/zinc/74/52/73/1276745273.db2.gz GFJFXIPUJOOJHA-DOTOQJQBSA-N 1 0 328.368 2.530 20 5 EFBDRO CC[C@H](C)N[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000819386746 1276767719 /nfs/dbraw/zinc/76/77/19/1276767719.db2.gz CJIHEPWWZZHQCK-RRQGHBQHSA-N 1 0 347.415 2.940 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000923125240 1276875262 /nfs/dbraw/zinc/87/52/62/1276875262.db2.gz AUCXPPZNZGQNRO-XYPHTWIQSA-N 1 0 346.431 2.972 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccsc1Cl ZINC001134813065 1287255951 /nfs/dbraw/zinc/25/59/51/1287255951.db2.gz YWFLYHNNNMQWMI-UHFFFAOYSA-N 1 0 345.833 2.891 20 5 EFBDRO COc1ccc(C[C@H](C)n2c(C)nc3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170334537 1279025911 /nfs/dbraw/zinc/02/59/11/1279025911.db2.gz GLHAZLDXJBBPDT-LBPRGKRZSA-N 1 0 344.415 2.600 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](F)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335228 1279027165 /nfs/dbraw/zinc/02/71/65/1279027165.db2.gz MWABWPDGSNDDSU-CXAGYDPISA-N 1 0 340.395 2.721 20 5 EFBDRO COc1ccnc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170306726 1279029042 /nfs/dbraw/zinc/02/90/42/1279029042.db2.gz AWWVSFNJFGIFFF-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170306657 1279029193 /nfs/dbraw/zinc/02/91/93/1279029193.db2.gz ZKFYYLDRPPZXNC-PXAZEXFGSA-N 1 0 348.374 2.997 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000820652707 1277267858 /nfs/dbraw/zinc/26/78/58/1277267858.db2.gz VETUJDDBHOFTDO-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000821254128 1277493457 /nfs/dbraw/zinc/49/34/57/1277493457.db2.gz VXSQRTJXVBFLPN-CQSZACIVSA-N 1 0 337.376 2.828 20 5 EFBDRO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000821400742 1277536751 /nfs/dbraw/zinc/53/67/51/1277536751.db2.gz IENBEUIJEORPRX-IAGOWNOFSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000790784555 1277771450 /nfs/dbraw/zinc/77/14/50/1277771450.db2.gz MVOJIAXAJKFBDQ-KOLCDFICSA-N 1 0 343.786 2.529 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001170308787 1279030748 /nfs/dbraw/zinc/03/07/48/1279030748.db2.gz OXSQUWHEICJQMW-ZDUSSCGKSA-N 1 0 330.384 2.817 20 5 EFBDRO CCN(CC[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344605 1279048723 /nfs/dbraw/zinc/04/87/23/1279048723.db2.gz DBYITEKMSHRJAD-HNNXBMFYSA-N 1 0 335.448 2.952 20 5 EFBDRO COc1ccc(C[C@H](C)n2c(C)nc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170351029 1279057342 /nfs/dbraw/zinc/05/73/42/1279057342.db2.gz DHPZSUDOHGMMMM-NSHDSACASA-N 1 0 330.388 2.558 20 5 EFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351774 1279059040 /nfs/dbraw/zinc/05/90/40/1279059040.db2.gz IPEAIYQEUGFGHK-ORAGUKJUSA-N 1 0 332.400 2.644 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844640717 1279161332 /nfs/dbraw/zinc/16/13/32/1279161332.db2.gz KHYHVJMELBCJSU-GMTAPVOTSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000845225721 1279489175 /nfs/dbraw/zinc/48/91/75/1279489175.db2.gz WTESCFOLWAYRED-AWEZNQCLSA-N 1 0 334.420 2.783 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000845250646 1279501708 /nfs/dbraw/zinc/50/17/08/1279501708.db2.gz DEEDKBJNUTVGBA-UHFFFAOYSA-N 1 0 337.395 2.656 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)ccc1[N+](=O)[O-] ZINC000793304564 1279514843 /nfs/dbraw/zinc/51/48/43/1279514843.db2.gz WDOXZPNWFFAKSE-MRXNPFEDSA-N 1 0 347.415 2.808 20 5 EFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N1CCCC1 ZINC000793395371 1279627481 /nfs/dbraw/zinc/62/74/81/1279627481.db2.gz NNZPXFKJBDDSRZ-UHFFFAOYSA-N 1 0 325.796 2.739 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001157795253 1279763082 /nfs/dbraw/zinc/76/30/82/1279763082.db2.gz ILIDIRXPJXAYIG-YUMQZZPRSA-N 1 0 334.207 2.976 20 5 EFBDRO COc1cc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000845728101 1279801911 /nfs/dbraw/zinc/80/19/11/1279801911.db2.gz FRFBGTDESQXSFS-JTQLQIEISA-N 1 0 340.351 2.772 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000845737457 1279809889 /nfs/dbraw/zinc/80/98/89/1279809889.db2.gz HSKCCBCNNHSXHW-CYBMUJFWSA-N 1 0 335.404 2.813 20 5 EFBDRO CSC[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793787661 1279870509 /nfs/dbraw/zinc/87/05/09/1279870509.db2.gz DUNOPHKUIDSDNV-ZDUSSCGKSA-N 1 0 347.444 2.886 20 5 EFBDRO C[NH+](C)CCC(=O)NC1(CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001114179322 1279882964 /nfs/dbraw/zinc/88/29/64/1279882964.db2.gz FBSVUSMUSNOKBL-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO COc1cc(F)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000845971087 1279948780 /nfs/dbraw/zinc/94/87/80/1279948780.db2.gz XDVRXSHQCRQORC-UHFFFAOYSA-N 1 0 349.362 2.716 20 5 EFBDRO C[NH2+]CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC001157825368 1279974838 /nfs/dbraw/zinc/97/48/38/1279974838.db2.gz FMMHPPADLFTESE-UHFFFAOYSA-N 1 0 333.845 2.584 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C1CC1 ZINC000846121918 1280026812 /nfs/dbraw/zinc/02/68/12/1280026812.db2.gz DIEOIELHDLLHCV-QWHCGFSZSA-N 1 0 338.791 2.879 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C2 ZINC000846311671 1280111513 /nfs/dbraw/zinc/11/15/13/1280111513.db2.gz NZXBAIPJGVMKMV-BONVTDFDSA-N 1 0 338.795 2.841 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000872018557 1287402105 /nfs/dbraw/zinc/40/21/05/1287402105.db2.gz OCVBVODZVMMWGE-NSHDSACASA-N 1 0 337.445 2.978 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000822497978 1289015730 /nfs/dbraw/zinc/01/57/30/1289015730.db2.gz QSIMBDJQVYIDOG-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001129400895 1280188316 /nfs/dbraw/zinc/18/83/16/1280188316.db2.gz MKSZABSHWCCHQK-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872035185 1287407517 /nfs/dbraw/zinc/40/75/17/1287407517.db2.gz NRGYSOPCCBIREF-ABAIWWIYSA-N 1 0 328.434 2.755 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872035187 1287407681 /nfs/dbraw/zinc/40/76/81/1287407681.db2.gz NRGYSOPCCBIREF-NHYWBVRUSA-N 1 0 328.434 2.755 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000804471899 1280243775 /nfs/dbraw/zinc/24/37/75/1280243775.db2.gz RLTPCXSABGUGDI-CYBMUJFWSA-N 1 0 334.376 2.958 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000804524110 1280264474 /nfs/dbraw/zinc/26/44/74/1280264474.db2.gz KDTMYHXXNUUBIU-TZMCWYRMSA-N 1 0 335.379 2.741 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000815288178 1287413378 /nfs/dbraw/zinc/41/33/78/1287413378.db2.gz QOWVEQPBQZYIBY-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000846611165 1280319527 /nfs/dbraw/zinc/31/95/27/1280319527.db2.gz BAZXZPLHBKAYHX-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(CC(C)(C)C)C2CC[NH2+]CC2)n1 ZINC001157884420 1280338245 /nfs/dbraw/zinc/33/82/45/1280338245.db2.gz VSYIZJXFTSJWAF-UHFFFAOYSA-N 1 0 341.843 2.951 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001091350296 1280384298 /nfs/dbraw/zinc/38/42/98/1280384298.db2.gz LEKKCSQOADJGSF-GASCZTMLSA-N 1 0 348.447 2.550 20 5 EFBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001091366408 1280412070 /nfs/dbraw/zinc/41/20/70/1280412070.db2.gz ANIOMLWYDOJEIV-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)OCCO ZINC000872073179 1287420348 /nfs/dbraw/zinc/42/03/48/1287420348.db2.gz OBKCXFDSIGVGBO-NSHDSACASA-N 1 0 328.434 2.755 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001175414768 1287421089 /nfs/dbraw/zinc/42/10/89/1287421089.db2.gz FGPNVXVMSSPMEU-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000872083578 1287423692 /nfs/dbraw/zinc/42/36/92/1287423692.db2.gz NGNBZQNSFPRMRO-QWRGUYRKSA-N 1 0 347.444 2.653 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000872082979 1287423761 /nfs/dbraw/zinc/42/37/61/1287423761.db2.gz FJJAQBNQBPWGTR-WBMJQRKESA-N 1 0 340.445 2.899 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@]1(O)CCCOC1 ZINC000872082978 1287423845 /nfs/dbraw/zinc/42/38/45/1287423845.db2.gz FJJAQBNQBPWGTR-MLGOLLRUSA-N 1 0 340.445 2.899 20 5 EFBDRO Cc1cc(N[C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001091395556 1280482522 /nfs/dbraw/zinc/48/25/22/1280482522.db2.gz QDAABNDBOYCCSX-FZNQNYSPSA-N 1 0 348.447 2.552 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846940034 1280629045 /nfs/dbraw/zinc/62/90/45/1280629045.db2.gz QPLRLFBMSCUXCY-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CCC1 ZINC001130315903 1280698980 /nfs/dbraw/zinc/69/89/80/1280698980.db2.gz PDQFSFAHIUUJFR-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001091471015 1280760183 /nfs/dbraw/zinc/76/01/83/1280760183.db2.gz QSBKIJBPURSBKA-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CCc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001171279230 1280952703 /nfs/dbraw/zinc/95/27/03/1280952703.db2.gz UENAVZQDKSZSOQ-UHFFFAOYSA-N 1 0 345.399 2.968 20 5 EFBDRO COc1cccc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001171285809 1281023823 /nfs/dbraw/zinc/02/38/23/1281023823.db2.gz POEPHROVASARIW-UHFFFAOYSA-N 1 0 342.399 2.625 20 5 EFBDRO CC(C)(CC(F)(F)F)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146818893 1281041052 /nfs/dbraw/zinc/04/10/52/1281041052.db2.gz GHURBGBTMPHWJD-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806428875 1281056403 /nfs/dbraw/zinc/05/64/03/1281056403.db2.gz MVWWOVPYDWOOEP-NNQSOWQGSA-N 1 0 332.404 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2ccc(N[C@H]3C[NH2+]C[C@H]3CO)cc2)cc1 ZINC001170783637 1287471473 /nfs/dbraw/zinc/47/14/73/1287471473.db2.gz YOLZVKREMUFBQH-SJCJKPOMSA-N 1 0 345.424 2.738 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000872217311 1287482103 /nfs/dbraw/zinc/48/21/03/1287482103.db2.gz SBAWPORUARUEIP-KURKYZTESA-N 1 0 328.368 2.748 20 5 EFBDRO CCCc1occc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147748150 1281263607 /nfs/dbraw/zinc/26/36/07/1281263607.db2.gz IVFNVMIWHMBVKT-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO CCc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001130966175 1281341984 /nfs/dbraw/zinc/34/19/84/1281341984.db2.gz YHTMTIMPQVADKX-UHFFFAOYSA-N 1 0 333.413 2.738 20 5 EFBDRO Cc1c(-n2cc3ccc(C[NH3+])cc3n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171324216 1281467446 /nfs/dbraw/zinc/46/74/46/1281467446.db2.gz CIVRNIKTQJSGCD-UHFFFAOYSA-N 1 0 327.300 2.609 20 5 EFBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001131093892 1281469354 /nfs/dbraw/zinc/46/93/54/1281469354.db2.gz FEXYSGGKSRRKMN-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001131120564 1281487042 /nfs/dbraw/zinc/48/70/42/1281487042.db2.gz QDYDXSNUYHJQHY-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000872251571 1287502595 /nfs/dbraw/zinc/50/25/95/1287502595.db2.gz OPUTVYIBFXJYDB-BZSNNMDCSA-N 1 0 330.384 2.730 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158264466 1281554114 /nfs/dbraw/zinc/55/41/14/1281554114.db2.gz BPXPPIUZCFFEMI-BZNIZROVSA-N 1 0 337.424 2.657 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000808189838 1281580043 /nfs/dbraw/zinc/58/00/43/1281580043.db2.gz BDQVBYPKIXNMSG-PBHICJAKSA-N 1 0 343.431 2.769 20 5 EFBDRO Cc1cc(C)cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001148992711 1281836432 /nfs/dbraw/zinc/83/64/32/1281836432.db2.gz DMRHBOBKNKHLHQ-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO CCc1nn(C)c(Cl)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728415 1282408968 /nfs/dbraw/zinc/40/89/68/1282408968.db2.gz WQFBXFGWMBKKNF-UHFFFAOYSA-N 1 0 337.811 2.509 20 5 EFBDRO [NH3+]CCN(Cc1ccc(-c2cc[nH]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734853 1282414929 /nfs/dbraw/zinc/41/49/29/1282414929.db2.gz MHFFMZZPFCYYIK-UHFFFAOYSA-N 1 0 327.344 2.543 20 5 EFBDRO [NH3+]CCN(Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736445 1282415060 /nfs/dbraw/zinc/41/50/60/1282415060.db2.gz VGAXELJSOHCZEO-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCCC1 ZINC000809772495 1282433104 /nfs/dbraw/zinc/43/31/04/1282433104.db2.gz ZJCLYBUOQRVFDC-ZDUSSCGKSA-N 1 0 337.807 2.693 20 5 EFBDRO [NH3+]CCN(Cc1nccn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809736068 1282435298 /nfs/dbraw/zinc/43/52/98/1282435298.db2.gz DDCQGJHVJLHOAF-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H](O)c1ccccc1)OCCO2 ZINC000809748270 1282447216 /nfs/dbraw/zinc/44/72/16/1282447216.db2.gz MVLUMCLIPYZOSR-INIZCTEOSA-N 1 0 344.367 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1Cl ZINC000809793109 1282490020 /nfs/dbraw/zinc/49/00/20/1282490020.db2.gz RJNGDMVHIZTGST-BBRMVZONSA-N 1 0 334.759 2.832 20 5 EFBDRO CC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809920232 1282591930 /nfs/dbraw/zinc/59/19/30/1282591930.db2.gz VZXCBRNSDFUMQC-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554260 1287592033 /nfs/dbraw/zinc/59/20/33/1287592033.db2.gz VZRBURLLUIRZBQ-GFCCVEGCSA-N 1 0 331.372 2.915 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987880 1282715447 /nfs/dbraw/zinc/71/54/47/1282715447.db2.gz OZDGDAVANGZJKE-ZYHUDNBSSA-N 1 0 346.214 2.906 20 5 EFBDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556484 1287594491 /nfs/dbraw/zinc/59/44/91/1287594491.db2.gz WDACCFATHGDMNZ-AWEZNQCLSA-N 1 0 340.427 2.886 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558855 1287596334 /nfs/dbraw/zinc/59/63/34/1287596334.db2.gz QBQAREICXGCXFJ-GFCCVEGCSA-N 1 0 338.371 2.609 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001175901489 1287602639 /nfs/dbraw/zinc/60/26/39/1287602639.db2.gz QYHATHYJCYAJHB-SOFGYWHQSA-N 1 0 326.356 2.909 20 5 EFBDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582618 1287611901 /nfs/dbraw/zinc/61/19/01/1287611901.db2.gz LGKVVRIARQKJMO-ZDUSSCGKSA-N 1 0 337.420 2.661 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593559 1287619591 /nfs/dbraw/zinc/61/95/91/1287619591.db2.gz QARFWKJESXEPAL-DCGLDWPTSA-N 1 0 329.400 2.992 20 5 EFBDRO Cc1nnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000810242453 1283097296 /nfs/dbraw/zinc/09/72/96/1283097296.db2.gz CNSIILOUBWMNEG-UHFFFAOYSA-N 1 0 347.444 2.556 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593319 1287619544 /nfs/dbraw/zinc/61/95/44/1287619544.db2.gz JIIMBKNUQOAEQD-LLVKDONJSA-N 1 0 329.356 2.799 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594636 1287622461 /nfs/dbraw/zinc/62/24/61/1287622461.db2.gz UYJSTYUMRWMZRK-BJOHPYRUSA-N 1 0 337.326 2.839 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596013 1287624016 /nfs/dbraw/zinc/62/40/16/1287624016.db2.gz IEVKSJTXLNDNMY-BSNNYGBQSA-N 1 0 333.413 2.765 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000815569829 1287626808 /nfs/dbraw/zinc/62/68/08/1287626808.db2.gz JESVRCHQMBAMFG-JTQLQIEISA-N 1 0 346.343 2.945 20 5 EFBDRO CN(C)c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171395206 1283253026 /nfs/dbraw/zinc/25/30/26/1283253026.db2.gz ZAMGNZBBUPSQIC-ZDUSSCGKSA-N 1 0 328.372 2.519 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625933 1287646092 /nfs/dbraw/zinc/64/60/92/1287646092.db2.gz QIDGXRIEKQGPJS-FNODVLLQSA-N 1 0 347.440 2.906 20 5 EFBDRO CCOc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810848948 1283704267 /nfs/dbraw/zinc/70/42/67/1283704267.db2.gz XTZHBDVIFMXQKA-KGLIPLIRSA-N 1 0 334.372 2.777 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810846612 1283735204 /nfs/dbraw/zinc/73/52/04/1283735204.db2.gz JGUHDJZTVYKDMD-IRXDYDNUSA-N 1 0 347.415 2.957 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CCCC1 ZINC001132812593 1284315747 /nfs/dbraw/zinc/31/57/47/1284315747.db2.gz NTPIKHSAALQVSG-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)F)CCCC1 ZINC001132812569 1284315941 /nfs/dbraw/zinc/31/59/41/1284315941.db2.gz MKYOCIOKAKLUIX-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CCCC1 ZINC001132812461 1284316505 /nfs/dbraw/zinc/31/65/05/1284316505.db2.gz HNEAJDRVWKPWKW-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCNc1cnccn1 ZINC000811484352 1284342759 /nfs/dbraw/zinc/34/27/59/1284342759.db2.gz ZVXZUOSWHSONPE-UHFFFAOYSA-N 1 0 342.186 2.893 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000811490948 1284348394 /nfs/dbraw/zinc/34/83/94/1284348394.db2.gz WMGPAPAJJYIXMJ-ZDUSSCGKSA-N 1 0 335.187 2.797 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cncn1 ZINC000811478314 1284362422 /nfs/dbraw/zinc/36/24/22/1284362422.db2.gz GHJCUVMMUOJWIW-UHFFFAOYSA-N 1 0 330.175 2.673 20 5 EFBDRO C[C@H]1CN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811478100 1284363011 /nfs/dbraw/zinc/36/30/11/1284363011.db2.gz AUJDDSWZFVTFNV-JTQLQIEISA-N 1 0 348.230 2.712 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001093704402 1284412950 /nfs/dbraw/zinc/41/29/50/1284412950.db2.gz LXVCGDUSWZYTRH-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000716163248 1284475121 /nfs/dbraw/zinc/47/51/21/1284475121.db2.gz CKJPZKAIIRIHQM-KVZIAJEVSA-N 1 0 342.395 2.966 20 5 EFBDRO Cc1nn(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782934 1284597933 /nfs/dbraw/zinc/59/79/33/1284597933.db2.gz MPKMQBOPLPASFW-QGZVFWFLSA-N 1 0 328.372 2.527 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811967549 1284785064 /nfs/dbraw/zinc/78/50/64/1284785064.db2.gz RWANSTORNWKKIU-LBPRGKRZSA-N 1 0 343.374 2.923 20 5 EFBDRO Cc1cc(NCCCNC(=O)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001094455519 1285127516 /nfs/dbraw/zinc/12/75/16/1285127516.db2.gz TZBHYGIOJHUUBK-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170679253 1285213470 /nfs/dbraw/zinc/21/34/70/1285213470.db2.gz DTXPFSFFWXEJTJ-NSHDSACASA-N 1 0 338.371 2.904 20 5 EFBDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000812779736 1285412028 /nfs/dbraw/zinc/41/20/28/1285412028.db2.gz HVQWCYHTWZUVSP-UHFFFAOYSA-N 1 0 349.431 2.950 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccc1Cl ZINC001171672712 1285706236 /nfs/dbraw/zinc/70/62/36/1285706236.db2.gz AHYBPHSMMKNHKT-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=C(CCc1ccccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001171864590 1285864309 /nfs/dbraw/zinc/86/43/09/1285864309.db2.gz AWCNCMBDNZNUOG-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001171879303 1285908953 /nfs/dbraw/zinc/90/89/53/1285908953.db2.gz HLANPNQWEUPVAC-UHFFFAOYSA-N 1 0 327.384 2.813 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813454083 1285917094 /nfs/dbraw/zinc/91/70/94/1285917094.db2.gz KJKGTHIHEAQFMV-VIFPVBQESA-N 1 0 346.214 2.925 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2occc2s1 ZINC001133766367 1285920278 /nfs/dbraw/zinc/92/02/78/1285920278.db2.gz BZKBDMXJTDDFJP-UHFFFAOYSA-N 1 0 345.380 2.922 20 5 EFBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000822647087 1289063897 /nfs/dbraw/zinc/06/38/97/1289063897.db2.gz NDLGCPZSINSKSZ-UONOGXRCSA-N 1 0 328.372 2.672 20 5 EFBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001179166053 1289064446 /nfs/dbraw/zinc/06/44/46/1289064446.db2.gz CSWDUDOACIHMTK-UHFFFAOYSA-N 1 0 346.387 2.663 20 5 EFBDRO O=C(C[NH+]1CCCC1)NCCCCCCNc1ccccc1[N+](=O)[O-] ZINC001094960155 1286299319 /nfs/dbraw/zinc/29/93/19/1286299319.db2.gz SLQOOKPVMHVYAG-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn(CCF)cn1)CC2 ZINC001172902857 1286307377 /nfs/dbraw/zinc/30/73/77/1286307377.db2.gz COERYXKRSAVRBT-HNNXBMFYSA-N 1 0 332.379 2.798 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1cccnc1)CC2 ZINC001172908854 1286311282 /nfs/dbraw/zinc/31/12/82/1286311282.db2.gz ZWYWGMKJOJROBU-WMZOPIPTSA-N 1 0 327.384 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cn3cccnc3n1)CC2 ZINC001172895990 1286326028 /nfs/dbraw/zinc/32/60/28/1286326028.db2.gz KLKGTIRZTABWLP-OAHLLOKOSA-N 1 0 337.383 2.675 20 5 EFBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895674 1286326307 /nfs/dbraw/zinc/32/63/07/1286326307.db2.gz HERICHSQRDERBC-INIZCTEOSA-N 1 0 328.416 2.982 20 5 EFBDRO CCOC(=O)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916905 1286327751 /nfs/dbraw/zinc/32/77/51/1286327751.db2.gz UTKKBOLLPJEUHC-MRXNPFEDSA-N 1 0 347.415 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1nc(C3CC3)no1)CC2 ZINC001172912945 1286352973 /nfs/dbraw/zinc/35/29/73/1286352973.db2.gz RZMDNHFDVORYAJ-AWEZNQCLSA-N 1 0 328.372 2.892 20 5 EFBDRO [NH3+]CCN(c1ccccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912404 1286353282 /nfs/dbraw/zinc/35/32/82/1286353282.db2.gz NYJUJVFRNSJMLP-INIZCTEOSA-N 1 0 326.400 2.703 20 5 EFBDRO CC(=O)N1CCC[C@H]([N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912204 1286353698 /nfs/dbraw/zinc/35/36/98/1286353698.db2.gz JSBKDPPAFXYIRP-HKUYNNGSSA-N 1 0 345.443 2.785 20 5 EFBDRO CC(C)NC(=O)[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172913560 1286355117 /nfs/dbraw/zinc/35/51/17/1286355117.db2.gz XBLMWVJPDGNRJK-WMZOPIPTSA-N 1 0 347.459 2.981 20 5 EFBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000814173305 1286358072 /nfs/dbraw/zinc/35/80/72/1286358072.db2.gz NIEDECKJQBYMCZ-QLPKVWCKSA-N 1 0 342.351 2.706 20 5 EFBDRO NC1=C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC=C1 ZINC001173008862 1286382108 /nfs/dbraw/zinc/38/21/08/1286382108.db2.gz KUYNAFQYVDUFJZ-UHFFFAOYSA-N 1 0 336.342 2.514 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCCCCO)CC2)c(F)c1 ZINC001173007506 1286382548 /nfs/dbraw/zinc/38/25/48/1286382548.db2.gz RVRBVYYDLDYIHQ-UHFFFAOYSA-N 1 0 343.374 2.594 20 5 EFBDRO CC(C)[N@H+](CCN)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012387 1286383199 /nfs/dbraw/zinc/38/31/99/1286383199.db2.gz RTNBKGFFFFRYER-UHFFFAOYSA-N 1 0 342.390 2.511 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1F ZINC001134192909 1286441006 /nfs/dbraw/zinc/44/10/06/1286441006.db2.gz BTNLJQAMERFTNL-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncc(F)c2)c1F ZINC001173175186 1286451272 /nfs/dbraw/zinc/45/12/72/1286451272.db2.gz AUCRDTMCXCVDST-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(O)CCCC2)c1F ZINC001173174869 1286451429 /nfs/dbraw/zinc/45/14/29/1286451429.db2.gz DZAVSGRFTAXJPJ-LLVKDONJSA-N 1 0 326.368 2.568 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cscn2)c1F ZINC001173174851 1286451458 /nfs/dbraw/zinc/45/14/58/1286451458.db2.gz DPBTYXQALGBAEV-SECBINFHSA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)C(C)(C)O)c1F ZINC001173177518 1286452538 /nfs/dbraw/zinc/45/25/38/1286452538.db2.gz BMTBLAKUBLKAGG-SNVBAGLBSA-N 1 0 328.384 2.813 20 5 EFBDRO CCOC(C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])OCC ZINC001173176645 1286452746 /nfs/dbraw/zinc/45/27/46/1286452746.db2.gz LEKCZOZBOOYVAI-NSHDSACASA-N 1 0 344.383 2.662 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1F ZINC001173178417 1286453801 /nfs/dbraw/zinc/45/38/01/1286453801.db2.gz BMJRNQINXZCDDN-XUJVJEKNSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1F ZINC001173180356 1286454703 /nfs/dbraw/zinc/45/47/03/1286454703.db2.gz KASYYCPQYZLNCL-XQQFMLRXSA-N 1 0 338.379 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(C)cnc2CC[NH3+])c1F ZINC001173180423 1286454803 /nfs/dbraw/zinc/45/48/03/1286454803.db2.gz WEXFHKNYSKPMML-SNVBAGLBSA-N 1 0 336.367 2.552 20 5 EFBDRO CCOC(=O)CCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180432 1286454996 /nfs/dbraw/zinc/45/49/96/1286454996.db2.gz WHYHIWFMKPYGEL-NSHDSACASA-N 1 0 342.367 2.606 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccnc(F)c2)c1F ZINC001173184554 1286456285 /nfs/dbraw/zinc/45/62/85/1286456285.db2.gz RJFWZZKZRMMPNS-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)c1F ZINC001173183144 1286456292 /nfs/dbraw/zinc/45/62/92/1286456292.db2.gz LIVRTBSCVRXMQC-RWMBFGLXSA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1F ZINC001173184179 1286456384 /nfs/dbraw/zinc/45/63/84/1286456384.db2.gz DCSWGJSXCGSNTI-RWMBFGLXSA-N 1 0 339.411 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@]3(CCCO3)C2)c1F ZINC001173183457 1286456581 /nfs/dbraw/zinc/45/65/81/1286456581.db2.gz YIEQFVDEYIPEIV-SJKOYZFVSA-N 1 0 338.379 2.928 20 5 EFBDRO COC[C@H]1CCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182766 1286456711 /nfs/dbraw/zinc/45/67/11/1286456711.db2.gz TVKIXWNOPWLLBZ-VXGBXAGGSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2(C)COC2)c1F ZINC001173191024 1286457505 /nfs/dbraw/zinc/45/75/05/1286457505.db2.gz ZQMWFWCQNQQQGC-NSHDSACASA-N 1 0 326.368 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ccc3c2CC[NH2+]C3)c1F ZINC001173191731 1286458050 /nfs/dbraw/zinc/45/80/50/1286458050.db2.gz GWRXIGDKRITPDW-NSHDSACASA-N 1 0 333.363 2.993 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccnc(C)n2)c1F ZINC001173190146 1286458152 /nfs/dbraw/zinc/45/81/52/1286458152.db2.gz ULHBXDRSMFUJDH-JTQLQIEISA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cncs2)c1F ZINC001173193200 1286458747 /nfs/dbraw/zinc/45/87/47/1286458747.db2.gz SYOAMLNLDLBHBG-SNVBAGLBSA-N 1 0 339.392 2.962 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CC(=O)N1CCCC1 ZINC001173215904 1286470271 /nfs/dbraw/zinc/47/02/71/1286470271.db2.gz AXBZXNJCXXJDJJ-CQSZACIVSA-N 1 0 333.432 2.907 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173217793 1286472037 /nfs/dbraw/zinc/47/20/37/1286472037.db2.gz GFAFCYOUUFTRSI-SUMWQHHRSA-N 1 0 343.383 2.815 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173217789 1286472097 /nfs/dbraw/zinc/47/20/97/1286472097.db2.gz GFAFCYOUUFTRSI-DYVFJYSZSA-N 1 0 343.383 2.815 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173217787 1286472215 /nfs/dbraw/zinc/47/22/15/1286472215.db2.gz GFAFCYOUUFTRSI-CXAGYDPISA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)C1CCCCC1 ZINC001173218045 1286472973 /nfs/dbraw/zinc/47/29/73/1286472973.db2.gz ITQGPXUNRULDOE-AWEZNQCLSA-N 1 0 333.432 2.812 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001173222838 1286476281 /nfs/dbraw/zinc/47/62/81/1286476281.db2.gz ZKXOYTDERKIRJO-BBRMVZONSA-N 1 0 331.416 2.516 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC001173222854 1286476314 /nfs/dbraw/zinc/47/63/14/1286476314.db2.gz ZVLHDUCTESVOIL-JVPBZIDWSA-N 1 0 344.411 2.864 20 5 EFBDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226714 1286482077 /nfs/dbraw/zinc/48/20/77/1286482077.db2.gz KZHHBCWBKZGOQF-WMLDXEAASA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001173226936 1286482166 /nfs/dbraw/zinc/48/21/66/1286482166.db2.gz MUHUJEFWBKVROO-RDTXWAMCSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001173229040 1286482216 /nfs/dbraw/zinc/48/22/16/1286482216.db2.gz UTWNHVFRLIAPMP-ICXUMSERSA-N 1 0 343.427 2.613 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC001173229248 1286482275 /nfs/dbraw/zinc/48/22/75/1286482275.db2.gz RWYCPSCMGUDQPA-OAHLLOKOSA-N 1 0 326.400 2.743 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN1CCOCC1)C(C)(C)C ZINC001173229567 1286482360 /nfs/dbraw/zinc/48/23/60/1286482360.db2.gz NNTLZZYHSXUPOB-QAPCUYQASA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C1CCOCC1 ZINC001173230141 1286482724 /nfs/dbraw/zinc/48/27/24/1286482724.db2.gz QTVJPNZUIXNZFH-CQSZACIVSA-N 1 0 344.415 2.864 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC001173232614 1286483286 /nfs/dbraw/zinc/48/32/86/1286483286.db2.gz FBZZGJUQHMNKIK-IFXJQAMLSA-N 1 0 342.395 2.786 20 5 EFBDRO CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC001173230113 1286483458 /nfs/dbraw/zinc/48/34/58/1286483458.db2.gz ZCVJLEBHLGFWFQ-KXBFYZLASA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC001173232612 1286483594 /nfs/dbraw/zinc/48/35/94/1286483594.db2.gz FBZZGJUQHMNKIK-AUUYWEPGSA-N 1 0 342.395 2.786 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001173210320 1286485069 /nfs/dbraw/zinc/48/50/69/1286485069.db2.gz ITGYMFZNVBEODT-STQMWFEESA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001173211485 1286485549 /nfs/dbraw/zinc/48/55/49/1286485549.db2.gz SIIAYOZZQDEEOB-DOMZBBRYSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC001173216040 1286486819 /nfs/dbraw/zinc/48/68/19/1286486819.db2.gz JSXLLMXUYXZFKW-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173214271 1286487621 /nfs/dbraw/zinc/48/76/21/1286487621.db2.gz AHBFNAHXUKQWAY-HNNXBMFYSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001173238991 1286497102 /nfs/dbraw/zinc/49/71/02/1286497102.db2.gz ZTMCOVWLCLXMJS-WMLDXEAASA-N 1 0 342.399 2.859 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095228689 1286712078 /nfs/dbraw/zinc/71/20/78/1286712078.db2.gz QXRGDNWICOGHOJ-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095233604 1286720920 /nfs/dbraw/zinc/72/09/20/1286720920.db2.gz FWKRGJUVUFGTDN-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095235901 1286724602 /nfs/dbraw/zinc/72/46/02/1286724602.db2.gz OVTGSKRSZCXNKP-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000814630536 1286834592 /nfs/dbraw/zinc/83/45/92/1286834592.db2.gz SLQMYHRULPELBK-OAHLLOKOSA-N 1 0 338.795 2.808 20 5 EFBDRO Cc1ccc(CCC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001176894045 1288170718 /nfs/dbraw/zinc/17/07/18/1288170718.db2.gz KOXGUCVATJNQSW-UHFFFAOYSA-N 1 0 345.399 2.725 20 5 EFBDRO Cc1ccc(CCC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001176894637 1288182363 /nfs/dbraw/zinc/18/23/63/1288182363.db2.gz WENGILMTIQUHNM-UHFFFAOYSA-N 1 0 345.399 2.725 20 5 EFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816660932 1288233945 /nfs/dbraw/zinc/23/39/45/1288233945.db2.gz VKKGSFMLFPLGCS-KDOFPFPSSA-N 1 0 333.432 2.704 20 5 EFBDRO CCc1ncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001177293114 1288359297 /nfs/dbraw/zinc/35/92/97/1288359297.db2.gz RGPMZXLPAVGYEA-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177313768 1288382771 /nfs/dbraw/zinc/38/27/71/1288382771.db2.gz ONEGWFHVICBXCZ-IAGOWNOFSA-N 1 0 337.464 2.616 20 5 EFBDRO CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177313639 1288382880 /nfs/dbraw/zinc/38/28/80/1288382880.db2.gz GYXBGGFYIDCMNB-IAGOWNOFSA-N 1 0 339.480 2.840 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817296866 1288525648 /nfs/dbraw/zinc/52/56/48/1288525648.db2.gz LEPGESDMJLQEHF-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817368429 1288562538 /nfs/dbraw/zinc/56/25/38/1288562538.db2.gz IIULYQZVAYYJAR-CYBMUJFWSA-N 1 0 331.372 2.972 20 5 EFBDRO CCCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000817411615 1288590524 /nfs/dbraw/zinc/59/05/24/1288590524.db2.gz WCEZLVPQWDCBPO-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO O=C(NCCCCCC[NH2+]CCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450077 1288776177 /nfs/dbraw/zinc/77/61/77/1288776177.db2.gz QRXUTNDXFJDJOI-QZTJIDSGSA-N 1 0 347.459 2.551 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458404 1288791644 /nfs/dbraw/zinc/79/16/44/1288791644.db2.gz FVJGJGNUTISXSC-SJLPKXTDSA-N 1 0 347.459 2.735 20 5 EFBDRO O=C(NCCCCCC[NH2+]C/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458602 1288792240 /nfs/dbraw/zinc/79/22/40/1288792240.db2.gz NRZFSQKOFYRWFM-BBUPJTBGSA-N 1 0 345.443 2.631 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000821848788 1288809272 /nfs/dbraw/zinc/80/92/72/1288809272.db2.gz YDMVWDBXCJGPNK-RRQGHBQHSA-N 1 0 331.416 2.641 20 5 EFBDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc3ccc4cccnc4c3n2)C1=O ZINC001277648224 1312675932 /nfs/dbraw/zinc/67/59/32/1312675932.db2.gz HIEFYPUKFVFILC-NRFANRHFSA-N 1 0 346.434 2.980 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000821949387 1288844206 /nfs/dbraw/zinc/84/42/06/1288844206.db2.gz UCIGTPHXNMPGME-MRXNPFEDSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000823080123 1289205022 /nfs/dbraw/zinc/20/50/22/1289205022.db2.gz ULQNHUOLTAVJAX-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)c1 ZINC000823088077 1289208130 /nfs/dbraw/zinc/20/81/30/1289208130.db2.gz HCRYNWUUAQZWBZ-ZUZCIYMTSA-N 1 0 334.376 2.664 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000823414490 1289283735 /nfs/dbraw/zinc/28/37/35/1289283735.db2.gz HQMHILIOPMEQMU-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000823660086 1289403457 /nfs/dbraw/zinc/40/34/57/1289403457.db2.gz DZRQCCTZKPTDMB-MSOLQXFVSA-N 1 0 346.427 2.909 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003215 1289498804 /nfs/dbraw/zinc/49/88/04/1289498804.db2.gz SXHCCTIEMDINDB-FRRDWIJNSA-N 1 0 349.435 2.665 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1cccs1 ZINC000824008633 1289499712 /nfs/dbraw/zinc/49/97/12/1289499712.db2.gz RWXUJPPRFHKHEZ-CYBMUJFWSA-N 1 0 349.416 2.663 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823971988 1289502897 /nfs/dbraw/zinc/50/28/97/1289502897.db2.gz HFPMIENWNXGULD-IINYFYTJSA-N 1 0 338.795 2.806 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000873013559 1289519457 /nfs/dbraw/zinc/51/94/57/1289519457.db2.gz CVDCVHRLOYTMLG-LBPRGKRZSA-N 1 0 331.338 2.877 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873021600 1289524769 /nfs/dbraw/zinc/52/47/69/1289524769.db2.gz NHNTTXCHRVEFIJ-HNNXBMFYSA-N 1 0 332.375 2.983 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000873020727 1289525029 /nfs/dbraw/zinc/52/50/29/1289525029.db2.gz BQOLKCXFQXUIMZ-OAHLLOKOSA-N 1 0 348.374 2.880 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000873129904 1289585599 /nfs/dbraw/zinc/58/55/99/1289585599.db2.gz SWTBOVZNBFZODX-RHSMWYFYSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000873131856 1289587341 /nfs/dbraw/zinc/58/73/41/1289587341.db2.gz XTMRMTNTHBGSMS-UHFFFAOYSA-N 1 0 348.424 2.905 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000873138557 1289593173 /nfs/dbraw/zinc/59/31/73/1289593173.db2.gz JCDMTCQXQYPGJO-SFHVURJKSA-N 1 0 336.432 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000873138026 1289593702 /nfs/dbraw/zinc/59/37/02/1289593702.db2.gz AMYPNRYOSZCNIM-AWEZNQCLSA-N 1 0 333.432 2.948 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1occc1Cl ZINC001166024932 1312719490 /nfs/dbraw/zinc/71/94/90/1312719490.db2.gz IBOJIZDVZMCHAY-UHFFFAOYSA-N 1 0 343.792 2.812 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824369655 1289631468 /nfs/dbraw/zinc/63/14/68/1289631468.db2.gz XPOZKNUUBLHJBE-XMTFNYHQSA-N 1 0 343.427 2.831 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000825678637 1289792403 /nfs/dbraw/zinc/79/24/03/1289792403.db2.gz HHXGDPSYWLCSHY-UHFFFAOYSA-N 1 0 325.796 2.628 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110266177 1290134314 /nfs/dbraw/zinc/13/43/14/1290134314.db2.gz ODHMSQFQUTUTFB-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000825731648 1290266906 /nfs/dbraw/zinc/26/69/06/1290266906.db2.gz JUXVHENEJJGARK-CQSZACIVSA-N 1 0 335.379 2.824 20 5 EFBDRO C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001183375716 1290343432 /nfs/dbraw/zinc/34/34/32/1290343432.db2.gz URSCLFFSSIAFRO-TXEJJXNPSA-N 1 0 335.411 2.644 20 5 EFBDRO Cc1cnc(COC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000875589968 1290579527 /nfs/dbraw/zinc/57/95/27/1290579527.db2.gz APZWSDYBBFPZFL-UHFFFAOYSA-N 1 0 335.404 2.770 20 5 EFBDRO CC(C)[NH+]1CCC(CNc2cc3c(c([N+](=O)[O-])c2)NN(C)C3)CC1 ZINC001166635853 1312809378 /nfs/dbraw/zinc/80/93/78/1312809378.db2.gz JOHAUQCRCKSSCM-UHFFFAOYSA-N 1 0 333.436 2.899 20 5 EFBDRO COc1nc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166650003 1312811548 /nfs/dbraw/zinc/81/15/48/1312811548.db2.gz OYYNTALNWSFUTC-GFCCVEGCSA-N 1 0 339.355 2.762 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(C2CC[NH2+]CC2)n1 ZINC000876545193 1290939277 /nfs/dbraw/zinc/93/92/77/1290939277.db2.gz IETPMWRLWNFFMA-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO CS[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877067967 1291124631 /nfs/dbraw/zinc/12/46/31/1291124631.db2.gz KLJIAEISMCIXJQ-DZGCQCFKSA-N 1 0 336.461 2.832 20 5 EFBDRO CS[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877067969 1291124763 /nfs/dbraw/zinc/12/47/63/1291124763.db2.gz KLJIAEISMCIXJQ-UKRRQHHQSA-N 1 0 336.461 2.832 20 5 EFBDRO CCOC(=O)N1CCC(C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877145130 1291146006 /nfs/dbraw/zinc/14/60/06/1291146006.db2.gz DCLPZUOVCGGHEU-UHFFFAOYSA-N 1 0 335.404 2.943 20 5 EFBDRO CC1(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])OCCO1 ZINC000877346806 1291201872 /nfs/dbraw/zinc/20/18/72/1291201872.db2.gz NLJNRYDHZLPIHP-UHFFFAOYSA-N 1 0 334.294 2.856 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000877528839 1291262539 /nfs/dbraw/zinc/26/25/39/1291262539.db2.gz MBNKGTRAKMZEPK-UHFFFAOYSA-N 1 0 327.375 2.984 20 5 EFBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000795703155 1291268284 /nfs/dbraw/zinc/26/82/84/1291268284.db2.gz MUEYLRPEOXFJJS-XJKSGUPXSA-N 1 0 343.431 2.769 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877556819 1291274432 /nfs/dbraw/zinc/27/44/32/1291274432.db2.gz KPIHCXXCELZFBB-ZSHCYNCHSA-N 1 0 347.415 2.592 20 5 EFBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000877832260 1291400570 /nfs/dbraw/zinc/40/05/70/1291400570.db2.gz IOHOBZFBDIASLF-WTVLQJKYSA-N 1 0 344.411 2.771 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](C[C@@H]2CCOC2)C2CC2)o1 ZINC000877961563 1291430018 /nfs/dbraw/zinc/43/00/18/1291430018.db2.gz NVKKXPCZPJZBRS-LBPRGKRZSA-N 1 0 344.371 2.646 20 5 EFBDRO Nc1ccnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001166888520 1312861063 /nfs/dbraw/zinc/86/10/63/1312861063.db2.gz JRCHTQFUUXIAAE-HNNXBMFYSA-N 1 0 327.388 2.821 20 5 EFBDRO Cn1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc([N+](=O)[O-])c1=O ZINC001166902492 1312863788 /nfs/dbraw/zinc/86/37/88/1312863788.db2.gz YHQKUXGWCZUPIW-QGZVFWFLSA-N 1 0 342.399 2.543 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)o1 ZINC000878291896 1291605087 /nfs/dbraw/zinc/60/50/87/1291605087.db2.gz RDFGJBDSPBOFKC-QWHCGFSZSA-N 1 0 344.371 2.503 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000878305822 1291616437 /nfs/dbraw/zinc/61/64/37/1291616437.db2.gz IZGYOLXSIAXTTC-UHFFFAOYSA-N 1 0 343.431 2.539 20 5 EFBDRO CN(CCC[NH+]1CCCC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878550103 1291712828 /nfs/dbraw/zinc/71/28/28/1291712828.db2.gz PLZDEQYIHYLILS-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000878571661 1291719280 /nfs/dbraw/zinc/71/92/80/1291719280.db2.gz YNZBEACZDQIPKW-PWSUYJOCSA-N 1 0 333.219 2.615 20 5 EFBDRO COC[C@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878663433 1291746807 /nfs/dbraw/zinc/74/68/07/1291746807.db2.gz IOQWYDWXYWDLMD-MRXNPFEDSA-N 1 0 332.360 2.503 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000826076486 1291818510 /nfs/dbraw/zinc/81/85/10/1291818510.db2.gz CJSITBSRZCAAMM-MNOVXSKESA-N 1 0 325.796 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1F ZINC000878870354 1291836330 /nfs/dbraw/zinc/83/63/30/1291836330.db2.gz ZHFAGRILLLOMKS-HZPDHXFCSA-N 1 0 338.379 2.534 20 5 EFBDRO Cc1ccc(NC[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001114775720 1291929768 /nfs/dbraw/zinc/92/97/68/1291929768.db2.gz FPYVJOMZIRPTKL-SHTZXODSSA-N 1 0 348.447 2.550 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000879520308 1292169121 /nfs/dbraw/zinc/16/91/21/1292169121.db2.gz DNLGRWXUGXZXHI-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[NH2+]2)c1 ZINC000879525427 1292171801 /nfs/dbraw/zinc/17/18/01/1292171801.db2.gz YHDMWYFOJZZYAF-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529755 1292173274 /nfs/dbraw/zinc/17/32/74/1292173274.db2.gz DYNBSXMZKVTQQX-OKILXGFUSA-N 1 0 343.383 2.791 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529518 1292174194 /nfs/dbraw/zinc/17/41/94/1292174194.db2.gz QNTMDLQSLJMPRU-OKILXGFUSA-N 1 0 345.399 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000775387318 1292176902 /nfs/dbraw/zinc/17/69/02/1292176902.db2.gz XBDOLBYPXHOYJV-KBUPBQIOSA-N 1 0 340.470 2.597 20 5 EFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796164684 1292198723 /nfs/dbraw/zinc/19/87/23/1292198723.db2.gz MVBWAIAKGKPAHK-MRXNPFEDSA-N 1 0 335.404 2.738 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627913 1292211263 /nfs/dbraw/zinc/21/12/63/1292211263.db2.gz XJWUHICIFGAEKD-UHFFFAOYSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1ccc(NC[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001114809064 1292324112 /nfs/dbraw/zinc/32/41/12/1292324112.db2.gz JIABNZTUJFXSHV-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775418538 1292357799 /nfs/dbraw/zinc/35/77/99/1292357799.db2.gz DTSCILLJNMYXKN-RDTXWAMCSA-N 1 0 333.432 2.968 20 5 EFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000880461587 1292505635 /nfs/dbraw/zinc/50/56/35/1292505635.db2.gz JBZTUGDBCNXWIW-ROUUACIJSA-N 1 0 330.384 2.684 20 5 EFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001233597998 1312964223 /nfs/dbraw/zinc/96/42/23/1312964223.db2.gz DMHUWJVQBDXYCL-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001233701990 1312974742 /nfs/dbraw/zinc/97/47/42/1312974742.db2.gz IRMHEGRDODDLHL-UHFFFAOYSA-N 1 0 344.327 2.946 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])c(F)c3F)O2)CC1 ZINC001233764661 1312987098 /nfs/dbraw/zinc/98/70/98/1312987098.db2.gz KXZYRQCUYKHVOV-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000883457156 1293600086 /nfs/dbraw/zinc/60/00/86/1293600086.db2.gz WCBSNGSZDHVQIW-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132118667 1293627619 /nfs/dbraw/zinc/62/76/19/1293627619.db2.gz TURXMUNOYZBNAA-LJQANCHMSA-N 1 0 342.395 2.917 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000800195700 1293951905 /nfs/dbraw/zinc/95/19/05/1293951905.db2.gz NPEDTGVKXBCBKG-UHFFFAOYSA-N 1 0 330.331 2.962 20 5 EFBDRO CC[N@H+](CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000102068864 1293979732 /nfs/dbraw/zinc/97/97/32/1293979732.db2.gz OUHTVONSFSNVRV-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO CC/C(C)=C\C(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001195760411 1294015995 /nfs/dbraw/zinc/01/59/95/1294015995.db2.gz BDUYQBHWPORIOZ-SQFISAMPSA-N 1 0 331.416 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000884239249 1294061484 /nfs/dbraw/zinc/06/14/84/1294061484.db2.gz QFCYDVRYJQCMKS-HNNXBMFYSA-N 1 0 331.416 2.816 20 5 EFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000884855885 1294268596 /nfs/dbraw/zinc/26/85/96/1294268596.db2.gz TVVQTWHAPOMBNL-LLVKDONJSA-N 1 0 333.779 2.753 20 5 EFBDRO O=C(CCC(F)F)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001196539274 1294282160 /nfs/dbraw/zinc/28/21/60/1294282160.db2.gz JGPZOCQYBRMULZ-UHFFFAOYSA-N 1 0 341.358 2.674 20 5 EFBDRO CC(C)SCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234137851 1313066270 /nfs/dbraw/zinc/06/62/70/1313066270.db2.gz WNDPNCPGDIHQTQ-UHFFFAOYSA-N 1 0 339.461 2.675 20 5 EFBDRO COc1cc(C[NH+](C)C)cc(F)c1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001234245177 1313086707 /nfs/dbraw/zinc/08/67/07/1313086707.db2.gz VPWVLOPNKHUWMG-MRXNPFEDSA-N 1 0 349.362 2.688 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886140570 1294725453 /nfs/dbraw/zinc/72/54/53/1294725453.db2.gz KMBIBUJPXGOZMU-YJBOKZPZSA-N 1 0 340.427 2.990 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000886200199 1294760031 /nfs/dbraw/zinc/76/00/31/1294760031.db2.gz BDWOOTRAJLZKIP-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)o1 ZINC000886229337 1294775564 /nfs/dbraw/zinc/77/55/64/1294775564.db2.gz OFIWIKVRDPXOLK-KGLIPLIRSA-N 1 0 346.383 2.874 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)o1 ZINC000886229338 1294775768 /nfs/dbraw/zinc/77/57/68/1294775768.db2.gz OFIWIKVRDPXOLK-UONOGXRCSA-N 1 0 346.383 2.874 20 5 EFBDRO C[C@@](C[NH3+])(NCc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000903717798 1313112455 /nfs/dbraw/zinc/11/24/55/1313112455.db2.gz WVSAJJBWOWYRGY-ZDUSSCGKSA-N 1 0 328.210 2.574 20 5 EFBDRO C[NH+](C)C1CCC(Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234360814 1313113273 /nfs/dbraw/zinc/11/32/73/1313113273.db2.gz VMQXSRZZVBCBPD-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001234407974 1313122183 /nfs/dbraw/zinc/12/21/83/1313122183.db2.gz IKTKWDWXCNXUOA-QDMKHBRRSA-N 1 0 348.399 2.704 20 5 EFBDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886838165 1295176955 /nfs/dbraw/zinc/17/69/55/1295176955.db2.gz SFDWHGMKTYYLBX-QGZVFWFLSA-N 1 0 326.400 2.699 20 5 EFBDRO Cc1c(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886926291 1295217705 /nfs/dbraw/zinc/21/77/05/1295217705.db2.gz IJJNVQHYYQQIQX-KRWDZBQOSA-N 1 0 332.404 2.901 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903746300 1313156667 /nfs/dbraw/zinc/15/66/67/1313156667.db2.gz XHJJSECDGQVBAV-AOOOYVTPSA-N 1 0 328.210 2.540 20 5 EFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000775997293 1295605030 /nfs/dbraw/zinc/60/50/30/1295605030.db2.gz AKYVJNJXCBJCFK-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO C[NH+]1CCC(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000105277177 1295737541 /nfs/dbraw/zinc/73/75/41/1295737541.db2.gz BXVMWDXSPRGQCZ-UHFFFAOYSA-N 1 0 326.784 2.712 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903763734 1313177981 /nfs/dbraw/zinc/17/79/81/1313177981.db2.gz LXXBNSUWOHXYDU-VXGBXAGGSA-N 1 0 328.210 2.717 20 5 EFBDRO Cc1c(CC(=O)N2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000889830756 1295840864 /nfs/dbraw/zinc/84/08/64/1295840864.db2.gz OKCFTYRKNIBUCS-UHFFFAOYSA-N 1 0 331.416 2.579 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903780098 1313200221 /nfs/dbraw/zinc/20/02/21/1313200221.db2.gz DEFOMOYPNKPHHM-GXTWGEPZSA-N 1 0 340.221 2.684 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001234875250 1313201883 /nfs/dbraw/zinc/20/18/83/1313201883.db2.gz FPTANNZUONGDEU-LBPRGKRZSA-N 1 0 343.177 2.536 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001234881939 1313203142 /nfs/dbraw/zinc/20/31/42/1313203142.db2.gz SVYTXVLQMOPODH-BBRMVZONSA-N 1 0 343.383 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000776158019 1296753752 /nfs/dbraw/zinc/75/37/52/1296753752.db2.gz ROXJQOAFNSLDSE-QBPKDAKJSA-N 1 0 332.400 2.566 20 5 EFBDRO O=C(CCC(F)F)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001201640627 1296975007 /nfs/dbraw/zinc/97/50/07/1296975007.db2.gz NBFZXIFLNWDDBH-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO O=C(CCC(F)F)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001201641056 1296991883 /nfs/dbraw/zinc/99/18/83/1296991883.db2.gz UYHJSBWZMSIDMJ-UHFFFAOYSA-N 1 0 347.387 2.782 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CCF)CC1 ZINC001201775420 1297071013 /nfs/dbraw/zinc/07/10/13/1297071013.db2.gz SMYLXIACXZASNW-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC000930630720 1297279436 /nfs/dbraw/zinc/27/94/36/1297279436.db2.gz GZRXVAMZSSZZOR-NEPJUHHUSA-N 1 0 329.194 2.606 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776270221 1297323449 /nfs/dbraw/zinc/32/34/49/1297323449.db2.gz AXTVZXMQMAGFGX-ROUUACIJSA-N 1 0 347.390 2.660 20 5 EFBDRO COc1c(C)[nH]cc(CN(C)Cc2cccc([N+](=O)[O-])c2C)c1=O ZINC000931323033 1297326952 /nfs/dbraw/zinc/32/69/52/1297326952.db2.gz CZVVFBFGZMESKQ-UHFFFAOYSA-N 1 0 331.372 2.541 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776271268 1297331710 /nfs/dbraw/zinc/33/17/10/1297331710.db2.gz JPWPDYHRDXXDHG-MSOLQXFVSA-N 1 0 329.400 2.521 20 5 EFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274387 1297338664 /nfs/dbraw/zinc/33/86/64/1297338664.db2.gz HHSBMYVKMZISMY-QGZVFWFLSA-N 1 0 330.384 2.947 20 5 EFBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275954 1297339720 /nfs/dbraw/zinc/33/97/20/1297339720.db2.gz MATDCPGDPHIEMU-QGZVFWFLSA-N 1 0 334.347 2.778 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000932712712 1297449465 /nfs/dbraw/zinc/44/94/65/1297449465.db2.gz KPBYICXTGYWLPT-ZDUSSCGKSA-N 1 0 325.434 2.633 20 5 EFBDRO CC(C)[NH+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000778220768 1297536749 /nfs/dbraw/zinc/53/67/49/1297536749.db2.gz CGIGZZCIFCSEHC-UHFFFAOYSA-N 1 0 343.374 2.922 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934192758 1297545204 /nfs/dbraw/zinc/54/52/04/1297545204.db2.gz AKGRTXQPHBUWTC-HDEZJCGLSA-N 1 0 331.416 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934440183 1297557369 /nfs/dbraw/zinc/55/73/69/1297557369.db2.gz ZCMJKRJYNYMRNP-CRAIPNDOSA-N 1 0 330.359 2.769 20 5 EFBDRO Cc1c(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000934440190 1297557529 /nfs/dbraw/zinc/55/75/29/1297557529.db2.gz ZGGVIWRYEWHDTJ-IEBWSBKVSA-N 1 0 326.396 2.939 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CC2 ZINC000935220036 1297618928 /nfs/dbraw/zinc/61/89/28/1297618928.db2.gz XJXXUHKQGCUXHB-DLBZAZTESA-N 1 0 343.427 2.785 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1N ZINC001236350324 1313473284 /nfs/dbraw/zinc/47/32/84/1313473284.db2.gz RSLZUCBAKRMVNU-PMACEKPBSA-N 1 0 334.419 2.925 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1-c1ccccc1 ZINC001206596145 1313481812 /nfs/dbraw/zinc/48/18/12/1313481812.db2.gz MAHLVBVZKSGIIK-GOSISDBHSA-N 1 0 328.432 2.854 20 5 EFBDRO Cc1nn(CN2CCC[N@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000779859960 1298976215 /nfs/dbraw/zinc/97/62/15/1298976215.db2.gz QLKRHDMGFYPMJK-UHFFFAOYSA-N 1 0 343.431 2.574 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776580337 1299626567 /nfs/dbraw/zinc/62/65/67/1299626567.db2.gz WYKADBPUNPQBIH-ZWKOTPCHSA-N 1 0 346.358 2.841 20 5 EFBDRO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000776594222 1299692299 /nfs/dbraw/zinc/69/22/99/1299692299.db2.gz ZCFNKSLAPFCKHK-OALUTQOASA-N 1 0 341.411 2.617 20 5 EFBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000852444092 1299705917 /nfs/dbraw/zinc/70/59/17/1299705917.db2.gz SFTVHPKPWCSCDU-ZWKOTPCHSA-N 1 0 346.383 2.614 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852550827 1299752460 /nfs/dbraw/zinc/75/24/60/1299752460.db2.gz HDSJHZCVHUYKMQ-GOSISDBHSA-N 1 0 328.368 2.695 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852550989 1299753365 /nfs/dbraw/zinc/75/33/65/1299753365.db2.gz NGCHGLQPEOEWEO-SFHVURJKSA-N 1 0 328.368 2.695 20 5 EFBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605358 1299760736 /nfs/dbraw/zinc/76/07/36/1299760736.db2.gz KSAYAQMPTRRRMU-HNAYVOBHSA-N 1 0 344.411 2.901 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000776606710 1299778460 /nfs/dbraw/zinc/77/84/60/1299778460.db2.gz ZXQFGDAJLWLQLB-RLFYNMQTSA-N 1 0 334.416 2.767 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852721930 1299832054 /nfs/dbraw/zinc/83/20/54/1299832054.db2.gz YLFXESGQJPLUSF-ZDUSSCGKSA-N 1 0 333.388 2.881 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000853232331 1300058292 /nfs/dbraw/zinc/05/82/92/1300058292.db2.gz ZQTMLFXJRBUPLN-VIFPVBQESA-N 1 0 339.779 2.683 20 5 EFBDRO CCn1nccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853242004 1300063503 /nfs/dbraw/zinc/06/35/03/1300063503.db2.gz YVUSZZFRJGYQDQ-UHFFFAOYSA-N 1 0 329.404 2.570 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000854736483 1300681983 /nfs/dbraw/zinc/68/19/83/1300681983.db2.gz GLLGXQDTJNLSRE-MOTZXUDYSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H]1C ZINC000245719132 1300746359 /nfs/dbraw/zinc/74/63/59/1300746359.db2.gz HDVSYVRZQBYIKB-ZIAGYGMSSA-N 1 0 332.404 2.772 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000245877724 1300800225 /nfs/dbraw/zinc/80/02/25/1300800225.db2.gz JAZRKKABXBQLDO-DGCLKSJQSA-N 1 0 337.395 2.893 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2)C1CC1 ZINC000963457431 1300894485 /nfs/dbraw/zinc/89/44/85/1300894485.db2.gz SZIFQLASUVEVDG-UHFFFAOYSA-N 1 0 335.429 2.583 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2)C1CCC1 ZINC000963467104 1300909103 /nfs/dbraw/zinc/90/91/03/1300909103.db2.gz MSCPRXJMAVMLRZ-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO C[C@H](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000855417805 1300949861 /nfs/dbraw/zinc/94/98/61/1300949861.db2.gz PIDQUHKRFSTRLS-MRVPVSSYSA-N 1 0 334.203 2.972 20 5 EFBDRO CC(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000963576817 1301082689 /nfs/dbraw/zinc/08/26/89/1301082689.db2.gz MZTTXFOUPMDHBS-UHFFFAOYSA-N 1 0 337.445 2.829 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789766 1301316692 /nfs/dbraw/zinc/31/66/92/1301316692.db2.gz AHGAWHMPBMCUSX-UOAXPGHYSA-N 1 0 347.459 2.559 20 5 EFBDRO CC1(C(=O)NC2CC3(C2)CC([NH2+]Cc2ccccc2[N+](=O)[O-])C3)CC1 ZINC000963845008 1301369170 /nfs/dbraw/zinc/36/91/70/1301369170.db2.gz HXDFEQNXDPJTNG-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CC1(C(=O)NC2CC3(C2)CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C3)CC1 ZINC000963846757 1301371157 /nfs/dbraw/zinc/37/11/57/1301371157.db2.gz WGPCFEJCNLQSQQ-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859684384 1301533631 /nfs/dbraw/zinc/53/36/31/1301533631.db2.gz CEFXQOAVKAOMSP-GFCCVEGCSA-N 1 0 326.784 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862793001 1302460961 /nfs/dbraw/zinc/46/09/61/1302460961.db2.gz HKLHEMNTFPBYEK-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794601300 1302835312 /nfs/dbraw/zinc/83/53/12/1302835312.db2.gz DLFGYFMUPOQTSZ-GBESFXJTSA-N 1 0 344.411 2.976 20 5 EFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000864876999 1303068287 /nfs/dbraw/zinc/06/82/87/1303068287.db2.gz JNILDSDJTLDQMH-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864983508 1303110705 /nfs/dbraw/zinc/11/07/05/1303110705.db2.gz OVFJNARNOCBNRD-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097187412 1313897687 /nfs/dbraw/zinc/89/76/87/1313897687.db2.gz ANFVUKNXSMQFKI-IYBDPMFKSA-N 1 0 346.431 2.530 20 5 EFBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865535983 1303300698 /nfs/dbraw/zinc/30/06/98/1303300698.db2.gz XRYLYPLANMSGEX-VIFPVBQESA-N 1 0 333.219 2.559 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097206285 1313908055 /nfs/dbraw/zinc/90/80/55/1313908055.db2.gz YVFRUVMNXRQRIY-IYBDPMFKSA-N 1 0 348.447 2.694 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865737085 1303380826 /nfs/dbraw/zinc/38/08/26/1303380826.db2.gz PJQIVWYDXNMLOO-OAHLLOKOSA-N 1 0 325.384 2.759 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097230903 1313921666 /nfs/dbraw/zinc/92/16/66/1313921666.db2.gz DPTCWUBFNBSGPN-GASCZTMLSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccccc1 ZINC000866245884 1303578183 /nfs/dbraw/zinc/57/81/83/1303578183.db2.gz HINRXSPSAQTSOM-CYBMUJFWSA-N 1 0 345.374 2.571 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(CC(F)F)CC1 ZINC000866251472 1303580744 /nfs/dbraw/zinc/58/07/44/1303580744.db2.gz UDOMTGCLRUPNBG-NSHDSACASA-N 1 0 345.365 2.984 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260356 1303583611 /nfs/dbraw/zinc/58/36/11/1303583611.db2.gz DUNLJJXKYMIMGJ-LBPRGKRZSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCOC1 ZINC000866270740 1303587558 /nfs/dbraw/zinc/58/75/58/1303587558.db2.gz UFSXWYFJCDVVTI-UONOGXRCSA-N 1 0 340.395 2.698 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)NC(C)(C)C ZINC000866293992 1303591658 /nfs/dbraw/zinc/59/16/58/1303591658.db2.gz BECMYNUXMPJWFU-LLVKDONJSA-N 1 0 325.384 2.559 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866303512 1303595367 /nfs/dbraw/zinc/59/53/67/1303595367.db2.gz UBEZLMOGVAZXBO-SMDDNHRTSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000866380874 1303618133 /nfs/dbraw/zinc/61/81/33/1303618133.db2.gz LUAFLQLKUUMANT-BXUZGUMPSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000866396276 1303622150 /nfs/dbraw/zinc/62/21/50/1303622150.db2.gz QYPNYOHUUPSNEZ-FZMZJTMJSA-N 1 0 345.365 2.984 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000866396278 1303622260 /nfs/dbraw/zinc/62/22/60/1303622260.db2.gz QYPNYOHUUPSNEZ-SMDDNHRTSA-N 1 0 345.365 2.984 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941842 1304030505 /nfs/dbraw/zinc/03/05/05/1304030505.db2.gz KHVVIHWIWTTYQT-SJLPKXTDSA-N 1 0 343.358 2.712 20 5 EFBDRO C[C@@H](Cc1cccs1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943145 1304031000 /nfs/dbraw/zinc/03/10/00/1304031000.db2.gz MZRSYNUVDGZDLR-MEDUHNTESA-N 1 0 333.413 2.578 20 5 EFBDRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947402 1304035316 /nfs/dbraw/zinc/03/53/16/1304035316.db2.gz FDEVMBKSBULBHK-PKOBYXMFSA-N 1 0 339.395 2.881 20 5 EFBDRO Cc1cccc([C@@H](C)CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867948069 1304035835 /nfs/dbraw/zinc/03/58/35/1304035835.db2.gz XOYHRASALGNCMZ-IFXJQAMLSA-N 1 0 341.411 2.997 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948533 1304036590 /nfs/dbraw/zinc/03/65/90/1304036590.db2.gz YGKSOJFJKDHZHL-XYJFISCASA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948530 1304036679 /nfs/dbraw/zinc/03/66/79/1304036679.db2.gz YGKSOJFJKDHZHL-JFIYKMOQSA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952624 1304039145 /nfs/dbraw/zinc/03/91/45/1304039145.db2.gz YPQKGRWAUURBGV-LZLYRXPVSA-N 1 0 343.358 2.580 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952623 1304039579 /nfs/dbraw/zinc/03/95/79/1304039579.db2.gz YPQKGRWAUURBGV-JFIYKMOQSA-N 1 0 343.358 2.580 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000867952626 1304040430 /nfs/dbraw/zinc/04/04/30/1304040430.db2.gz YPQKGRWAUURBGV-XYJFISCASA-N 1 0 343.358 2.580 20 5 EFBDRO Cc1ccccc1[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867965263 1304048968 /nfs/dbraw/zinc/04/89/68/1304048968.db2.gz ABUXLXMEYCVQLF-FZKQIMNGSA-N 1 0 327.384 2.955 20 5 EFBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000868074931 1304111243 /nfs/dbraw/zinc/11/12/43/1304111243.db2.gz UGBGHSGMBLZCPT-GOSISDBHSA-N 1 0 341.367 2.950 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868470150 1304310225 /nfs/dbraw/zinc/31/02/25/1304310225.db2.gz VXQWQKTXMATBSV-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO C[NH2+]C[C@H](C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000721146361 1304830787 /nfs/dbraw/zinc/83/07/87/1304830787.db2.gz MFLYZLUBNAYAEV-ZETCQYMHSA-N 1 0 341.165 2.730 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795135501 1305422379 /nfs/dbraw/zinc/42/23/79/1305422379.db2.gz IOLWTZPQMGJAND-WFASDCNBSA-N 1 0 334.445 2.850 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)c1 ZINC000870909074 1305673280 /nfs/dbraw/zinc/67/32/80/1305673280.db2.gz JPWWCOVSWXNHGN-INIZCTEOSA-N 1 0 333.432 2.521 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000870958303 1305710167 /nfs/dbraw/zinc/71/01/67/1305710167.db2.gz QEMNXWCWYKXFPE-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000870958267 1305710402 /nfs/dbraw/zinc/71/04/02/1305710402.db2.gz OYEDVMDVEOPXBD-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000870960601 1305713542 /nfs/dbraw/zinc/71/35/42/1305713542.db2.gz HGIHKWJUPRTECY-UHFFFAOYSA-N 1 0 325.434 2.897 20 5 EFBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000870973457 1305719701 /nfs/dbraw/zinc/71/97/01/1305719701.db2.gz WTRHSMDDYBYZBK-YOWGUQMCSA-N 1 0 331.416 2.979 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000871187619 1305876044 /nfs/dbraw/zinc/87/60/44/1305876044.db2.gz HJGJLUBZNGLHGN-INIZCTEOSA-N 1 0 333.432 2.521 20 5 EFBDRO CC1(NC(=O)c2ccoc2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045364162 1307280506 /nfs/dbraw/zinc/28/05/06/1307280506.db2.gz ZUJBSYLQXUHARF-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2=CCCCC2)CC1 ZINC001045437710 1307338392 /nfs/dbraw/zinc/33/83/92/1307338392.db2.gz ZHDHWTLVTMEMFS-HZPDHXFCSA-N 1 0 335.448 2.513 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900216232 1307784919 /nfs/dbraw/zinc/78/49/19/1307784919.db2.gz SRAQGACLPLWDIA-VXGBXAGGSA-N 1 0 341.770 2.744 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)C ZINC000900701671 1308549718 /nfs/dbraw/zinc/54/97/18/1308549718.db2.gz ZCPZIBMKJHAYGG-UHFFFAOYSA-N 1 0 331.775 2.847 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000800860089 1308564733 /nfs/dbraw/zinc/56/47/33/1308564733.db2.gz TVDWRLRXVSQVHV-ZDUSSCGKSA-N 1 0 340.387 2.515 20 5 EFBDRO Nc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001209936207 1314261337 /nfs/dbraw/zinc/26/13/37/1314261337.db2.gz YPNNJQULHNRNFD-UHFFFAOYSA-N 1 0 342.399 2.795 20 5 EFBDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001209936590 1314261428 /nfs/dbraw/zinc/26/14/28/1314261428.db2.gz UCUVFQKUZKTFDE-UHFFFAOYSA-N 1 0 341.415 2.668 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900819518 1308726702 /nfs/dbraw/zinc/72/67/02/1308726702.db2.gz JHUKTDHSWLLZSN-CABZTGNLSA-N 1 0 343.786 2.800 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900957427 1309035890 /nfs/dbraw/zinc/03/58/90/1309035890.db2.gz BUTGMDIVEUZEDO-GHMZBOCLSA-N 1 0 343.786 2.990 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901026725 1309224995 /nfs/dbraw/zinc/22/49/95/1309224995.db2.gz OULWIOJUCNTWIC-QPUJVOFHSA-N 1 0 341.770 2.600 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001210445031 1314334968 /nfs/dbraw/zinc/33/49/68/1314334968.db2.gz WBHBJNLTVJGDFZ-UHFFFAOYSA-N 1 0 331.376 2.810 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC001210956331 1314416246 /nfs/dbraw/zinc/41/62/46/1314416246.db2.gz XIFVPRZGSBTBCR-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C2CC2)CC1 ZINC000801874629 1311042227 /nfs/dbraw/zinc/04/22/27/1311042227.db2.gz COFJMLKYEJPNPC-UHFFFAOYSA-N 1 0 345.355 2.654 20 5 EFBDRO CC(C)=CC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222302757 1311112432 /nfs/dbraw/zinc/11/24/32/1311112432.db2.gz LSISYOZDKGLNFN-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO COC(=O)[C@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001222413871 1311127606 /nfs/dbraw/zinc/12/76/06/1311127606.db2.gz FEOXCBGUOUIRNY-HXUWFJFHSA-N 1 0 334.419 2.940 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001222778358 1311182850 /nfs/dbraw/zinc/18/28/50/1311182850.db2.gz WGINXJMQUGQYRR-LAQFHYBYSA-N 1 0 348.399 2.628 20 5 EFBDRO COCCC[NH+]1CCC(OCc2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC001223394082 1311254680 /nfs/dbraw/zinc/25/46/80/1311254680.db2.gz LDNUFOAVKVCLGF-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO COC(=O)c1ccc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001223413380 1311258189 /nfs/dbraw/zinc/25/81/89/1311258189.db2.gz LMVASVHHPCUEJL-SHTZXODSSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001223448544 1311262320 /nfs/dbraw/zinc/26/23/20/1311262320.db2.gz OHZSRYUHZHMPNA-HNNXBMFYSA-N 1 0 336.388 2.771 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3c(C)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001223539294 1311273112 /nfs/dbraw/zinc/27/31/12/1311273112.db2.gz PDCWKICFIZIILH-ZZCKCESHSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)[C@@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC001223648503 1311286883 /nfs/dbraw/zinc/28/68/83/1311286883.db2.gz NJIMUXZYJDQQDQ-RMHZUWNSSA-N 1 0 348.399 2.556 20 5 EFBDRO CCOc1nc(C(Cl)(Cl)O[C@@H](C)C[N+](C)(C)C)ns1 ZINC001224088674 1311341493 /nfs/dbraw/zinc/34/14/93/1311341493.db2.gz FZZHLBGPPLQIEA-QMMMGPOBSA-N 1 0 329.273 2.636 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224099576 1311342016 /nfs/dbraw/zinc/34/20/16/1311342016.db2.gz GKOXSGIERBARPR-ATCWAGBWSA-N 1 0 335.360 2.750 20 5 EFBDRO [NH3+]CCc1cn(-c2nc3ccccc3cc2[N+](=O)[O-])c2cccnc12 ZINC001158751736 1311380106 /nfs/dbraw/zinc/38/01/06/1311380106.db2.gz LQVLITSJBOKTTN-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CC1 ZINC001224504280 1311399982 /nfs/dbraw/zinc/39/99/82/1311399982.db2.gz AAHUNBZGELTVGW-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](OCCC[N+](C)(C)C)[C@H]2C1 ZINC001224620725 1311414517 /nfs/dbraw/zinc/41/45/17/1311414517.db2.gz BXTQUMPJINSNCE-JYJNAYRXSA-N 1 0 327.489 2.745 20 5 EFBDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCCC[N+](C)(C)C)O1 ZINC001224621074 1311414711 /nfs/dbraw/zinc/41/47/11/1311414711.db2.gz KROANQOWEZEJKJ-LJQANCHMSA-N 1 0 335.512 2.779 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2OCCC[N+](C)(C)C ZINC001224624005 1311415064 /nfs/dbraw/zinc/41/50/64/1311415064.db2.gz SJPCTJXQVTWGPY-XYPWUTKMSA-N 1 0 327.489 2.745 20 5 EFBDRO C[N+](C)(C)CCCOC1CN(Cc2ccc(Br)cc2)C1 ZINC001224623648 1311415342 /nfs/dbraw/zinc/41/53/42/1311415342.db2.gz OYOIQPOBHYOTLD-UHFFFAOYSA-N 1 0 342.301 2.746 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2OCC[N+](C)(C)C)C1 ZINC001224770831 1311432592 /nfs/dbraw/zinc/43/25/92/1311432592.db2.gz CMZKJXKIFBKREO-CRAIPNDOSA-N 1 0 327.489 2.889 20 5 EFBDRO O=C(NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001158996570 1311431251 /nfs/dbraw/zinc/43/12/51/1311431251.db2.gz GLQHRCYDGDEELN-UHFFFAOYSA-N 1 0 329.400 2.643 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2occc2[nH]1 ZINC001159121928 1311454684 /nfs/dbraw/zinc/45/46/84/1311454684.db2.gz ULRRRFJAIDTGKS-UHFFFAOYSA-N 1 0 348.384 2.640 20 5 EFBDRO CCOC(=N)CCCCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224966892 1311457351 /nfs/dbraw/zinc/45/73/51/1311457351.db2.gz UIQUWEJISGLCOY-AWEZNQCLSA-N 1 0 336.392 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(Nc2cccnc2N2CC[NH2+]CC2)c(Cl)c1 ZINC001159187906 1311470257 /nfs/dbraw/zinc/47/02/57/1311470257.db2.gz DLUFIEGQFVSNTG-UHFFFAOYSA-N 1 0 333.779 2.796 20 5 EFBDRO CC(C)C(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159306589 1311491220 /nfs/dbraw/zinc/49/12/20/1311491220.db2.gz OHBONBQNYDITPT-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccnc2O[C@@H]2CC[NH2+]C2)c1F ZINC001159351326 1311500386 /nfs/dbraw/zinc/50/03/86/1311500386.db2.gz PORCHTYHIXEKFI-SECBINFHSA-N 1 0 336.298 2.752 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)ccc1Cl ZINC001225324040 1311507997 /nfs/dbraw/zinc/50/79/97/1311507997.db2.gz KGBQNDYLPRKQFK-SNVBAGLBSA-N 1 0 340.749 2.721 20 5 EFBDRO C[NH+](C)Cc1ccc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC001225334453 1311508610 /nfs/dbraw/zinc/50/86/10/1311508610.db2.gz UKUCQMORHWDWSK-GOSISDBHSA-N 1 0 344.367 2.874 20 5 EFBDRO C[C@@H](Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159501073 1311528390 /nfs/dbraw/zinc/52/83/90/1311528390.db2.gz YESHNSCFFFWBAS-BXKDBHETSA-N 1 0 336.779 2.585 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159529595 1311533921 /nfs/dbraw/zinc/53/39/21/1311533921.db2.gz WHYOEFZLTCHIJZ-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159537827 1311536426 /nfs/dbraw/zinc/53/64/26/1311536426.db2.gz SNTUSSIYYKOWPA-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1N(C(=O)OC(C)(C)C)CCC2 ZINC001225553499 1311541708 /nfs/dbraw/zinc/54/17/08/1311541708.db2.gz BLTDDULQVQZQNV-GFCCVEGCSA-N 1 0 339.460 2.571 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1CN2CCC1CC2 ZINC001225606310 1311552428 /nfs/dbraw/zinc/55/24/28/1311552428.db2.gz MDWKPQOXDXBPFC-GFCCVEGCSA-N 1 0 327.178 2.830 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621049 1311555117 /nfs/dbraw/zinc/55/51/17/1311555117.db2.gz ZZCLCYPXIGNMCM-QWHCGFSZSA-N 1 0 329.356 2.910 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159631237 1311555847 /nfs/dbraw/zinc/55/58/47/1311555847.db2.gz KQXZEHCOOALNEQ-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO O=[N+]([O-])c1ncccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001225629533 1311556582 /nfs/dbraw/zinc/55/65/82/1311556582.db2.gz OPWOJIUVDYGDDS-INIZCTEOSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225660355 1311561238 /nfs/dbraw/zinc/56/12/38/1311561238.db2.gz CQDXDPCLUNVUNR-BBRMVZONSA-N 1 0 343.383 2.985 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001225745997 1311571705 /nfs/dbraw/zinc/57/17/05/1311571705.db2.gz CPVMSNKJNUDJFS-JTQLQIEISA-N 1 0 330.182 2.615 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1 ZINC001225804138 1311577844 /nfs/dbraw/zinc/57/78/44/1311577844.db2.gz NTDYRPCPDMABTN-HNNXBMFYSA-N 1 0 348.399 2.820 20 5 EFBDRO CC(C)c1nocc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001159783859 1311583880 /nfs/dbraw/zinc/58/38/80/1311583880.db2.gz BOOJLEDXHLLOJK-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-])C2 ZINC001225889707 1311586664 /nfs/dbraw/zinc/58/66/64/1311586664.db2.gz TXXAVLCXWVHOLK-JGPRNRPPSA-N 1 0 325.296 2.646 20 5 EFBDRO COC(=O)c1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001226078997 1311610896 /nfs/dbraw/zinc/61/08/96/1311610896.db2.gz ABJBIRYWXRZRQH-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC001159963916 1311618148 /nfs/dbraw/zinc/61/81/48/1311618148.db2.gz SWYPGRMAHXVUBV-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(N)c([N+](=O)[O-])cn3)c2c1 ZINC001160012391 1311628294 /nfs/dbraw/zinc/62/82/94/1311628294.db2.gz SBBUBZMHGQXVIL-LLVKDONJSA-N 1 0 325.372 2.714 20 5 EFBDRO CC(=O)c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001226291544 1311642700 /nfs/dbraw/zinc/64/27/00/1311642700.db2.gz FGFWPBVPCMFYQZ-WKILWMFISA-N 1 0 348.399 2.820 20 5 EFBDRO CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097399 1311643255 /nfs/dbraw/zinc/64/32/55/1311643255.db2.gz IDJIVLHFTNQJND-ADDHZHGLSA-N 1 0 335.448 2.536 20 5 EFBDRO CC(=O)c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001226294053 1311643804 /nfs/dbraw/zinc/64/38/04/1311643804.db2.gz FGFWPBVPCMFYQZ-IYBDPMFKSA-N 1 0 348.399 2.820 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001160108416 1311645407 /nfs/dbraw/zinc/64/54/07/1311645407.db2.gz NFGSFZDDGNIKKU-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO Cc1c(C)c(NCc2ccccc2N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001160109472 1311645906 /nfs/dbraw/zinc/64/59/06/1311645906.db2.gz JQEOHHNHCNCPCV-UHFFFAOYSA-N 1 0 341.415 2.628 20 5 EFBDRO COc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160116068 1311646995 /nfs/dbraw/zinc/64/69/95/1311646995.db2.gz NOEPDZCQIGNXAP-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO [NH3+]CCc1cc2ccccc2n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160125207 1311648590 /nfs/dbraw/zinc/64/85/90/1311648590.db2.gz YEVNBKHNOMNSCE-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])cc1Br ZINC001226340278 1311651713 /nfs/dbraw/zinc/65/17/13/1311651713.db2.gz XTPUORQQZVDJHZ-SECBINFHSA-N 1 0 332.198 2.861 20 5 EFBDRO CC(C)Oc1nc(-n2cc3ccc(C[NH3+])cc3n2)ccc1[N+](=O)[O-] ZINC001160143603 1311654889 /nfs/dbraw/zinc/65/48/89/1311654889.db2.gz SUKNRAKTSANHBX-UHFFFAOYSA-N 1 0 327.344 2.575 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1 ZINC001226443386 1311668398 /nfs/dbraw/zinc/66/83/98/1311668398.db2.gz UDCBVFOXXJGIHM-CQSZACIVSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001226564954 1311689299 /nfs/dbraw/zinc/68/92/99/1311689299.db2.gz IQHICPWLXOTDHR-INIZCTEOSA-N 1 0 341.479 2.508 20 5 EFBDRO [NH3+]Cc1ccc(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)cn1 ZINC001160405347 1311703829 /nfs/dbraw/zinc/70/38/29/1311703829.db2.gz HRAVLECOIXONHT-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC001226713071 1311711572 /nfs/dbraw/zinc/71/15/72/1311711572.db2.gz VAYWYAAYTIGAIP-QGZVFWFLSA-N 1 0 343.383 2.660 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226729193 1311714901 /nfs/dbraw/zinc/71/49/01/1311714901.db2.gz BPBXFQUTZKGHTR-CJNGLKHVSA-N 1 0 328.372 2.674 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC001226733706 1311715398 /nfs/dbraw/zinc/71/53/98/1311715398.db2.gz SHPSPPTYOAGUKI-DJIMGWMZSA-N 1 0 340.383 2.674 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC001226747426 1311717312 /nfs/dbraw/zinc/71/73/12/1311717312.db2.gz BWVFCVKYQPZFCK-BJHJDKERSA-N 1 0 342.342 2.895 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808431 1311726863 /nfs/dbraw/zinc/72/68/63/1311726863.db2.gz VYOAAAIVNFJPSC-LLVKDONJSA-N 1 0 334.351 2.929 20 5 EFBDRO CCOc1ccc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2c1 ZINC001226838611 1311730529 /nfs/dbraw/zinc/73/05/29/1311730529.db2.gz MGDCQHWURZECAY-MRXNPFEDSA-N 1 0 332.420 2.601 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)ccn1 ZINC001213024815 1311748852 /nfs/dbraw/zinc/74/88/52/1311748852.db2.gz QGFMVUAFBKUNFV-UHFFFAOYSA-N 1 0 334.295 2.893 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccnc([N+](=O)[O-])c3)n2)cc1 ZINC001213025904 1311766113 /nfs/dbraw/zinc/76/61/13/1311766113.db2.gz YJKKUISKGXMCFV-UHFFFAOYSA-N 1 0 325.328 2.768 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1Cl ZINC001160737097 1311771691 /nfs/dbraw/zinc/77/16/91/1311771691.db2.gz OEMNNTBDUQGOBQ-JGVFFNPUSA-N 1 0 338.717 2.904 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001227184812 1311773387 /nfs/dbraw/zinc/77/33/87/1311773387.db2.gz KMZGSLWMDAMUQW-AWEZNQCLSA-N 1 0 336.388 2.626 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC001227216346 1311777599 /nfs/dbraw/zinc/77/75/99/1311777599.db2.gz RAZLKNBPDMMGRB-PTEHBNRSSA-N 1 0 329.356 2.853 20 5 EFBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223057 1311779132 /nfs/dbraw/zinc/77/91/32/1311779132.db2.gz BSCPNCAVLRIQGT-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001160785994 1311780756 /nfs/dbraw/zinc/78/07/56/1311780756.db2.gz IONABSTZOFROIX-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227259594 1311784497 /nfs/dbraw/zinc/78/44/97/1311784497.db2.gz KGFIBKOMUNHARH-SECBINFHSA-N 1 0 330.182 2.615 20 5 EFBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)c(C)c1Cl ZINC001227278916 1311787487 /nfs/dbraw/zinc/78/74/87/1311787487.db2.gz JUDBPIMFZSEVLO-LLVKDONJSA-N 1 0 335.251 2.973 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227285409 1311788648 /nfs/dbraw/zinc/78/86/48/1311788648.db2.gz BNURNLUWTSQHJC-ZDUSSCGKSA-N 1 0 345.168 2.969 20 5 EFBDRO CC(C)(C[NH3+])c1cn(-c2ncc([N+](=O)[O-])cc2N)c2ccccc12 ZINC001160844951 1311795455 /nfs/dbraw/zinc/79/54/55/1311795455.db2.gz DUORCCCNVZXWQN-UHFFFAOYSA-N 1 0 325.372 2.752 20 5 EFBDRO CC(C)(C[NH3+])c1cn(-c2ccc([N+](=O)[O-])c(N)n2)c2ccccc12 ZINC001160845993 1311795839 /nfs/dbraw/zinc/79/58/39/1311795839.db2.gz YNTBUYNHQOKCHN-UHFFFAOYSA-N 1 0 325.372 2.752 20 5 EFBDRO COc1cc2ncnc(NCc3ccccc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001160907067 1311807135 /nfs/dbraw/zinc/80/71/35/1311807135.db2.gz IWHYVHBLFBISBF-UHFFFAOYSA-N 1 0 339.355 2.617 20 5 EFBDRO CN(C)/C=C/c1cc(NCc2ccccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160908625 1311807458 /nfs/dbraw/zinc/80/74/58/1311807458.db2.gz QJLRFFRTFXCAMA-BQYQJAHWSA-N 1 0 327.388 2.593 20 5 EFBDRO CCc1cc(N[C@@H](C[NH3+])C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160914778 1311808838 /nfs/dbraw/zinc/80/88/38/1311808838.db2.gz WVOYRVXBLUSPCT-HNNXBMFYSA-N 1 0 343.431 2.821 20 5 EFBDRO O=[N+]([O-])c1cncc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001227990844 1311885408 /nfs/dbraw/zinc/88/54/08/1311885408.db2.gz RMEWDDLOISKYSE-GOSISDBHSA-N 1 0 343.383 2.660 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161581852 1311921911 /nfs/dbraw/zinc/92/19/11/1311921911.db2.gz FPXSAVFCPCSRGA-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001161581703 1311922024 /nfs/dbraw/zinc/92/20/24/1311922024.db2.gz AUKCWXIFMCFSCV-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001161582619 1311922113 /nfs/dbraw/zinc/92/21/13/1311922113.db2.gz BNRSICCFPDJUPW-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO O=C(COC1CCCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001161602644 1311926902 /nfs/dbraw/zinc/92/69/02/1311926902.db2.gz VGZAVAIBSDJKBL-UHFFFAOYSA-N 1 0 349.431 2.540 20 5 EFBDRO CN1CC[NH+](CCCNc2ncnc3cc4ccccc4cc32)CC1 ZINC001161706448 1311956227 /nfs/dbraw/zinc/95/62/27/1311956227.db2.gz XVTUKPUUWWLPOZ-UHFFFAOYSA-N 1 0 335.455 2.832 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001161708585 1311956456 /nfs/dbraw/zinc/95/64/56/1311956456.db2.gz NZBWAKNBEAUWHZ-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO CN1CC[NH+](CCCNc2cc3cccnc3c3ncccc23)CC1 ZINC001161709939 1311957443 /nfs/dbraw/zinc/95/74/43/1311957443.db2.gz LBXGIGTXYQEHID-UHFFFAOYSA-N 1 0 335.455 2.832 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc(Cc2ccc(O)cc2)c1O ZINC001228601907 1311968346 /nfs/dbraw/zinc/96/83/46/1311968346.db2.gz OIXGTONOCPZBFZ-CYBMUJFWSA-O 1 0 332.420 2.868 20 5 EFBDRO Cc1cc2[nH]c(O[C@@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)nc2cc1[N+](=O)[O-] ZINC001228676359 1311980259 /nfs/dbraw/zinc/98/02/59/1311980259.db2.gz DFLDSYRNURGBTO-DRXBFXEBSA-N 1 0 330.388 2.889 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001228687729 1311981746 /nfs/dbraw/zinc/98/17/46/1311981746.db2.gz AFMFBYQJAYVMMA-QWHCGFSZSA-N 1 0 344.371 2.613 20 5 EFBDRO [NH3+]C1CCN(CCNc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161871298 1311991534 /nfs/dbraw/zinc/99/15/34/1311991534.db2.gz XGNFAHMQKAJJQK-UHFFFAOYSA-N 1 0 349.822 2.631 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc4nc5ccccc5nc4c3)[C@H]1CC(=O)C2 ZINC001228740834 1311991760 /nfs/dbraw/zinc/99/17/60/1311991760.db2.gz MJPFTGKQZSZGTQ-KNMUDHKVSA-N 1 0 333.391 2.966 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001161877797 1311993155 /nfs/dbraw/zinc/99/31/55/1311993155.db2.gz RARYGRVSOXDHSY-UHFFFAOYSA-N 1 0 346.149 2.928 20 5 EFBDRO O=C(C1CCCC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048641385 1311996615 /nfs/dbraw/zinc/99/66/15/1311996615.db2.gz ZUESGPNDMGGNQX-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO CC(C)[NH+]1CCC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC001228807958 1312002538 /nfs/dbraw/zinc/00/25/38/1312002538.db2.gz VUKYVPLEQYQUFW-UHFFFAOYSA-N 1 0 332.356 2.953 20 5 EFBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)O1 ZINC001161956610 1312013321 /nfs/dbraw/zinc/01/33/21/1312013321.db2.gz LUOIURGTQVVZDZ-CQSZACIVSA-N 1 0 342.399 2.836 20 5 EFBDRO O=[N+]([O-])c1c(N[C@@H](c2ccccc2)C2CC2)ncnc1C1C[NH2+]C1 ZINC001161958409 1312014117 /nfs/dbraw/zinc/01/41/17/1312014117.db2.gz QJGQQYROGFQQEH-AWEZNQCLSA-N 1 0 325.372 2.635 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001228941709 1312023684 /nfs/dbraw/zinc/02/36/84/1312023684.db2.gz MYFBQHJGFXOJNL-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO COc1ncc([N+](=O)[O-])c(N(CC[NH3+])c2cccc3ccccc32)n1 ZINC001162005113 1312026895 /nfs/dbraw/zinc/02/68/95/1312026895.db2.gz VQZFACYOVLHONO-UHFFFAOYSA-N 1 0 339.355 2.643 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCCc1ccc3c(c1)OCO3)C[NH2+]C2 ZINC001162087737 1312045084 /nfs/dbraw/zinc/04/50/84/1312045084.db2.gz DDZKSTUGKYNVKK-UHFFFAOYSA-N 1 0 327.340 2.581 20 5 EFBDRO Cc1nc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162189585 1312064523 /nfs/dbraw/zinc/06/45/23/1312064523.db2.gz AGCUAGIGOSNZEX-SHTZXODSSA-N 1 0 333.436 2.960 20 5 EFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001162195197 1312065403 /nfs/dbraw/zinc/06/54/03/1312065403.db2.gz OJVCPLXIPDILIW-HDJSIYSDSA-N 1 0 345.378 2.800 20 5 EFBDRO Cc1cc(NC2C[NH+](C(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162225111 1312071329 /nfs/dbraw/zinc/07/13/29/1312071329.db2.gz AGLJPTAAAHAEOJ-UHFFFAOYSA-N 1 0 341.415 2.677 20 5 EFBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)cn1 ZINC001162304428 1312084675 /nfs/dbraw/zinc/08/46/75/1312084675.db2.gz RGANVCZXEYBQKW-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396395 1312088798 /nfs/dbraw/zinc/08/87/98/1312088798.db2.gz SSULXIXVOGVQHR-TZMCWYRMSA-N 1 0 329.356 2.910 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@]2(C)CCC[N@H+](C)C2)n1 ZINC001162340884 1312089977 /nfs/dbraw/zinc/08/99/77/1312089977.db2.gz IDCMVTOPXPDJOB-LBPRGKRZSA-N 1 0 331.829 2.656 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001162397861 1312098096 /nfs/dbraw/zinc/09/80/96/1312098096.db2.gz ZJXCINLAKJRCFW-NWDGAFQWSA-N 1 0 329.360 2.859 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452652 1312098954 /nfs/dbraw/zinc/09/89/54/1312098954.db2.gz VOFVMJWLRGSNDO-WMLDXEAASA-N 1 0 343.383 2.518 20 5 EFBDRO COCCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229490548 1312103836 /nfs/dbraw/zinc/10/38/36/1312103836.db2.gz JULVVHPRCCDEAR-UHFFFAOYSA-N 1 0 335.360 2.616 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162453461 1312106529 /nfs/dbraw/zinc/10/65/29/1312106529.db2.gz KLYJXQLKCILAEN-MWLCHTKSSA-N 1 0 339.827 2.963 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162456129 1312106960 /nfs/dbraw/zinc/10/69/60/1312106960.db2.gz GKOLWHKYQISZNQ-NXEZZACHSA-N 1 0 343.225 2.800 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162467468 1312109388 /nfs/dbraw/zinc/10/93/88/1312109388.db2.gz QQHYAROSBBKNKJ-CHWSQXEVSA-N 1 0 335.404 2.819 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001162472370 1312109603 /nfs/dbraw/zinc/10/96/03/1312109603.db2.gz GZNZGXUJMYXVAL-YUMQZZPRSA-N 1 0 349.819 2.652 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162472339 1312109784 /nfs/dbraw/zinc/10/97/84/1312109784.db2.gz WUIROIAJYKYDFD-KBPBESRZSA-N 1 0 332.448 2.630 20 5 EFBDRO O=C(C=C1CCC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048758753 1312110159 /nfs/dbraw/zinc/11/01/59/1312110159.db2.gz IUWBARMYQLRKHC-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001162536677 1312120951 /nfs/dbraw/zinc/12/09/51/1312120951.db2.gz CPLKNDDVFAROGK-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[NH2+]1 ZINC001162552523 1312123392 /nfs/dbraw/zinc/12/33/92/1312123392.db2.gz LAMUFLYCGTYIPD-UKRRQHHQSA-N 1 0 342.399 2.979 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cncc2-c2cccc(C[NH3+])c2)n1 ZINC001162562094 1312124716 /nfs/dbraw/zinc/12/47/16/1312124716.db2.gz KIUOZCDMOAHZTA-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@]3(F)CCCC[NH2+]C3)nn2)c1 ZINC001162579294 1312128524 /nfs/dbraw/zinc/12/85/24/1312128524.db2.gz BBWYMGLXAOEERP-KRWDZBQOSA-N 1 0 345.378 2.946 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162580085 1312128653 /nfs/dbraw/zinc/12/86/53/1312128653.db2.gz RMGRORDCIFHZGW-OAHLLOKOSA-N 1 0 337.330 2.571 20 5 EFBDRO O=[N+]([O-])c1cc(Br)nc(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162583611 1312129411 /nfs/dbraw/zinc/12/94/11/1312129411.db2.gz QAJZCSQTKZYBTN-GFCCVEGCSA-N 1 0 347.188 2.646 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001162583771 1312129510 /nfs/dbraw/zinc/12/95/10/1312129510.db2.gz RKTLZBRKIQSMRI-LBPRGKRZSA-N 1 0 336.289 2.902 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001162666478 1312146700 /nfs/dbraw/zinc/14/67/00/1312146700.db2.gz FZYAKKHEYLAIEF-HTQZYQBOSA-N 1 0 331.829 2.703 20 5 EFBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001162670467 1312147793 /nfs/dbraw/zinc/14/77/93/1312147793.db2.gz MPVZTPDACUFTLX-TZMCWYRMSA-N 1 0 328.372 2.731 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229903766 1312157389 /nfs/dbraw/zinc/15/73/89/1312157389.db2.gz QHGTZMDSXKSOLC-CLLJXQQHSA-N 1 0 334.372 2.694 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001162729384 1312161868 /nfs/dbraw/zinc/16/18/68/1312161868.db2.gz NBGRXEFZEHPMDF-CQSZACIVSA-N 1 0 343.811 2.791 20 5 EFBDRO COC(=O)c1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001229937953 1312162295 /nfs/dbraw/zinc/16/22/95/1312162295.db2.gz FOGSGPRECGVMDR-NSHDSACASA-N 1 0 340.351 2.772 20 5 EFBDRO Cc1cc(=O)oc2c1ccc(O[C@H]1CCC[N@@H+](C)CC1)c2[N+](=O)[O-] ZINC001229944386 1312162462 /nfs/dbraw/zinc/16/24/62/1312162462.db2.gz PXQJQWKQKRDCNT-LBPRGKRZSA-N 1 0 332.356 2.873 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229959202 1312163313 /nfs/dbraw/zinc/16/33/13/1312163313.db2.gz ATNKVPKONKMKKI-LAQFHYBYSA-N 1 0 348.399 2.799 20 5 EFBDRO Cc1c(Br)cnc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001230038205 1312175697 /nfs/dbraw/zinc/17/56/97/1312175697.db2.gz RITZXAHHUMYVCU-MRVPVSSYSA-N 1 0 333.206 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001162796955 1312178010 /nfs/dbraw/zinc/17/80/10/1312178010.db2.gz HWYKXMKBRCVJDJ-MRCXROJRSA-N 1 0 330.775 2.982 20 5 EFBDRO COc1nc(C)c(NCc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001162810039 1312181066 /nfs/dbraw/zinc/18/10/66/1312181066.db2.gz NMMIMZLEEJGMBF-UHFFFAOYSA-N 1 0 328.372 2.565 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccc2Cl)cn1 ZINC001230069594 1312182733 /nfs/dbraw/zinc/18/27/33/1312182733.db2.gz GPVPUJSICCYWCH-CQSZACIVSA-N 1 0 349.838 2.765 20 5 EFBDRO CCOC(=O)c1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162853285 1312190414 /nfs/dbraw/zinc/19/04/14/1312190414.db2.gz GOZBHWLTZCARFT-AWEZNQCLSA-N 1 0 341.367 2.793 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2nccc(Br)c2[N+](=O)[O-])C1 ZINC001162855094 1312191034 /nfs/dbraw/zinc/19/10/34/1312191034.db2.gz XWLKIPBMFMEKTA-JTQLQIEISA-N 1 0 349.188 2.774 20 5 EFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162914445 1312202851 /nfs/dbraw/zinc/20/28/51/1312202851.db2.gz UMHIXJVEMQWBJZ-JTQLQIEISA-N 1 0 340.339 2.740 20 5 EFBDRO C[NH+](C)CC[C@@H](Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)c1ccccc1 ZINC001230230576 1312207757 /nfs/dbraw/zinc/20/77/57/1312207757.db2.gz VLQHQDZKRFRRKX-OAHLLOKOSA-N 1 0 341.371 2.938 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957350 1312211330 /nfs/dbraw/zinc/21/13/30/1312211330.db2.gz LMGCTWIHERQIGQ-NSHDSACASA-N 1 0 340.811 2.604 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964293 1312213118 /nfs/dbraw/zinc/21/31/18/1312213118.db2.gz YCCJIOLCSWAYIH-CQSZACIVSA-N 1 0 349.431 2.873 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162981891 1312217921 /nfs/dbraw/zinc/21/79/21/1312217921.db2.gz ULVKBGZZMBFWHQ-UHFFFAOYSA-N 1 0 346.765 2.814 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162988104 1312219486 /nfs/dbraw/zinc/21/94/86/1312219486.db2.gz SFGKHIZAZSMLCO-DZGCQCFKSA-N 1 0 339.779 2.731 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@H](C[NH3+])CO)cc2)n1 ZINC001163053212 1312232871 /nfs/dbraw/zinc/23/28/71/1312232871.db2.gz NUKREQDKYGCKKG-LLVKDONJSA-N 1 0 336.779 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163059097 1312234612 /nfs/dbraw/zinc/23/46/12/1312234612.db2.gz BLPNPVPJJAUTMT-NSHDSACASA-N 1 0 335.795 2.666 20 5 EFBDRO c1ccc2cc3c(cc2c1)ncnc3NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163087326 1312238426 /nfs/dbraw/zinc/23/84/26/1312238426.db2.gz IZFZMJMTTHAGJJ-MRXNPFEDSA-N 1 0 334.423 2.964 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163088559 1312238537 /nfs/dbraw/zinc/23/85/37/1312238537.db2.gz FKDPBAWQEYAUPS-JTQLQIEISA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)c(C(F)(F)F)c1 ZINC001163088561 1312238541 /nfs/dbraw/zinc/23/85/41/1312238541.db2.gz FKDPBAWQEYAUPS-SNVBAGLBSA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)ccc1C(F)(F)F ZINC001163090522 1312239015 /nfs/dbraw/zinc/23/90/15/1312239015.db2.gz VZAMUVNUMGRWED-JTQLQIEISA-N 1 0 345.321 2.794 20 5 EFBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163166297 1312255047 /nfs/dbraw/zinc/25/50/47/1312255047.db2.gz ITNYQRGHPUNRIB-GPMSIDNRSA-N 1 0 334.423 2.819 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163176479 1312257949 /nfs/dbraw/zinc/25/79/49/1312257949.db2.gz RTHYNRBBMKDJCN-QNDCLVFHSA-N 1 0 337.807 2.624 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001163180655 1312258851 /nfs/dbraw/zinc/25/88/51/1312258851.db2.gz GVMXCQRMRGPHFJ-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(-c3ccc(C[NH3+])cc3)c2)n1 ZINC001163215688 1312265686 /nfs/dbraw/zinc/26/56/86/1312265686.db2.gz OIORRXIDYRPCNO-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO O=[N+]([O-])c1cccc2cnc(N[C@@H]3C[NH2+]Cc4ccsc43)nc21 ZINC001163227321 1312268755 /nfs/dbraw/zinc/26/87/55/1312268755.db2.gz RWNRDSKNEUWCPN-LLVKDONJSA-N 1 0 327.369 2.856 20 5 EFBDRO CC(=O)Nc1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163230263 1312270919 /nfs/dbraw/zinc/27/09/19/1312270919.db2.gz UOKQMSVHXFBOQK-CYBMUJFWSA-N 1 0 332.385 2.871 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3Cc4ccccc4C[NH2+]3)nc2c1 ZINC001163272291 1312279335 /nfs/dbraw/zinc/27/93/35/1312279335.db2.gz MGXHCIKQSPMIIM-AWEZNQCLSA-N 1 0 335.367 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163277669 1312280737 /nfs/dbraw/zinc/28/07/37/1312280737.db2.gz FSIKJLDEGFTQCM-IAQYHMDHSA-N 1 0 325.796 2.819 20 5 EFBDRO CC1(CC(=O)N2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)CC1 ZINC001048941314 1312283147 /nfs/dbraw/zinc/28/31/47/1312283147.db2.gz HUOLFCFLIRNMHC-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO CSc1nc(Cl)nc(N[C@H](C[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001163294360 1312283737 /nfs/dbraw/zinc/28/37/37/1312283737.db2.gz OKPVZHMFJSCBRG-SECBINFHSA-N 1 0 339.808 2.872 20 5 EFBDRO COc1cc2ncnc(N[C@H](C[NH3+])c3ccccc3)c2cc1[N+](=O)[O-] ZINC001163294444 1312283878 /nfs/dbraw/zinc/28/38/78/1312283878.db2.gz QXFLHLDFWXYBNH-CQSZACIVSA-N 1 0 339.355 2.659 20 5 EFBDRO Cc1nc(Cl)nc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001163296948 1312283914 /nfs/dbraw/zinc/28/39/14/1312283914.db2.gz XWVZLEGWJUIOKW-UHFFFAOYSA-N 1 0 327.816 2.879 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001163306148 1312285660 /nfs/dbraw/zinc/28/56/60/1312285660.db2.gz LUGVXXZEWKDPQD-MRXNPFEDSA-N 1 0 339.355 2.659 20 5 EFBDRO CCOc1nc(N[C@H](C[NH3+])c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC001163309076 1312285925 /nfs/dbraw/zinc/28/59/25/1312285925.db2.gz JHWUEPMZPLWEAZ-CYBMUJFWSA-N 1 0 332.360 2.509 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308228 1312286067 /nfs/dbraw/zinc/28/60/67/1312286067.db2.gz CHSSGBKRPMROSY-GTNSWQLSSA-N 1 0 346.362 2.605 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)c1 ZINC001163314964 1312287672 /nfs/dbraw/zinc/28/76/72/1312287672.db2.gz ZJQSFHBWSDIYKS-CQSZACIVSA-N 1 0 346.387 2.898 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001163317212 1312287878 /nfs/dbraw/zinc/28/78/78/1312287878.db2.gz UCQZHTWGKFSLLS-GUYCJALGSA-N 1 0 346.362 2.605 20 5 EFBDRO COc1ncnc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1[N+](=O)[O-] ZINC001163319220 1312288866 /nfs/dbraw/zinc/28/88/66/1312288866.db2.gz CWQDQTZPDRKKCI-ZDUSSCGKSA-N 1 0 347.419 2.626 20 5 EFBDRO Cc1cc(Cl)c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163333370 1312291570 /nfs/dbraw/zinc/29/15/70/1312291570.db2.gz RGFNGTRFTAEJQE-IAQYHMDHSA-N 1 0 325.796 2.880 20 5 EFBDRO Cc1cc(Cl)c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163333369 1312291897 /nfs/dbraw/zinc/29/18/97/1312291897.db2.gz RGFNGTRFTAEJQE-ABAIWWIYSA-N 1 0 325.796 2.880 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163360131 1312295568 /nfs/dbraw/zinc/29/55/68/1312295568.db2.gz BXIXPTWQOKDLPG-KOLCDFICSA-N 1 0 327.816 2.877 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001163394965 1312303972 /nfs/dbraw/zinc/30/39/72/1312303972.db2.gz XSANDZSBDUTBHB-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1 ZINC001163411892 1312307502 /nfs/dbraw/zinc/30/75/02/1312307502.db2.gz KTIFRDVJDDWJAQ-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001163411371 1312307785 /nfs/dbraw/zinc/30/77/85/1312307785.db2.gz HBBVQVXCAPJFKQ-UHFFFAOYSA-N 1 0 349.412 2.939 20 5 EFBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000903065653 1312320683 /nfs/dbraw/zinc/32/06/83/1312320683.db2.gz RSFUKYVLFMTHKH-XHDPSFHLSA-N 1 0 335.383 2.780 20 5 EFBDRO CCOC(=O)[C@H](Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1)OCC ZINC001230761161 1312331985 /nfs/dbraw/zinc/33/19/85/1312331985.db2.gz OKQPZQAGTXRAAF-YJBOKZPZSA-N 1 0 338.468 2.671 20 5 EFBDRO CCOC(=O)[C@@H](Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1)OCC ZINC001230761158 1312331999 /nfs/dbraw/zinc/33/19/99/1312331999.db2.gz OKQPZQAGTXRAAF-CRAIPNDOSA-N 1 0 338.468 2.671 20 5 EFBDRO Cc1ccc(-c2ccc(N(C)CCC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001163598503 1312344190 /nfs/dbraw/zinc/34/41/90/1312344190.db2.gz WVMMXLVOCIXJEV-UHFFFAOYSA-N 1 0 329.404 2.748 20 5 EFBDRO Cc1ccc(-c2nc3sccc3c(N(C)CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001163690908 1312364775 /nfs/dbraw/zinc/36/47/75/1312364775.db2.gz YOCKPBBNUMWSRY-UHFFFAOYSA-N 1 0 343.412 2.970 20 5 EFBDRO CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001049017908 1312366627 /nfs/dbraw/zinc/36/66/27/1312366627.db2.gz YKFPSAJXXPAKSW-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO CC[N@@H+]1CCCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001163771105 1312381438 /nfs/dbraw/zinc/38/14/38/1312381438.db2.gz FDRACUAMSNKICW-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC001049035118 1312385724 /nfs/dbraw/zinc/38/57/24/1312385724.db2.gz XGOWCYCUQFTFGH-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001163911449 1312406527 /nfs/dbraw/zinc/40/65/27/1312406527.db2.gz FNQRKZXWNRIGRJ-UHFFFAOYSA-N 1 0 327.388 2.772 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001163917863 1312407392 /nfs/dbraw/zinc/40/73/92/1312407392.db2.gz JATODPGBLXTGIT-UHFFFAOYSA-N 1 0 349.456 2.999 20 5 EFBDRO O=C(/C=C/C1CC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163941096 1312411565 /nfs/dbraw/zinc/41/15/65/1312411565.db2.gz XSJDFTIRABOTHL-BQYQJAHWSA-N 1 0 343.427 2.937 20 5 EFBDRO Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001163982122 1312419694 /nfs/dbraw/zinc/41/96/94/1312419694.db2.gz YJMNXNKGTAZCNE-UHFFFAOYSA-N 1 0 339.355 2.522 20 5 EFBDRO CC(C)=C(C)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001164034152 1312433337 /nfs/dbraw/zinc/43/33/37/1312433337.db2.gz BSDKYQKCFXLETP-UHFFFAOYSA-N 1 0 325.434 2.999 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1Br ZINC001231121244 1312436785 /nfs/dbraw/zinc/43/67/85/1312436785.db2.gz IRALBEGOMYURND-SECBINFHSA-N 1 0 330.182 2.534 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001164062288 1312439653 /nfs/dbraw/zinc/43/96/53/1312439653.db2.gz KUKLENFYXQXCJX-PSASIEDQSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001164062402 1312439808 /nfs/dbraw/zinc/43/98/08/1312439808.db2.gz KUKLENFYXQXCJX-WCBMZHEXSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001164062290 1312439919 /nfs/dbraw/zinc/43/99/19/1312439919.db2.gz KUKLENFYXQXCJX-SCZZXKLOSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164074888 1312442329 /nfs/dbraw/zinc/44/23/29/1312442329.db2.gz APKOJJZPWNUOHS-QWHCGFSZSA-N 1 0 327.388 2.615 20 5 EFBDRO CN1CCC(CNc2nccc3c2cccc3[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164207021 1312468133 /nfs/dbraw/zinc/46/81/33/1312468133.db2.gz PZJGQOBXYGIJIN-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231308994 1312475430 /nfs/dbraw/zinc/47/54/30/1312475430.db2.gz CNADZMJXNKJQNS-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCN2CCCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000903226946 1312480818 /nfs/dbraw/zinc/48/08/18/1312480818.db2.gz JKRUFLRVDRUOHB-QGZVFWFLSA-N 1 0 333.432 2.629 20 5 EFBDRO CCCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001164407878 1312509833 /nfs/dbraw/zinc/50/98/33/1312509833.db2.gz HMYYRZHTRAISDQ-UHFFFAOYSA-N 1 0 344.415 2.785 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCCC[C@H]2O)n1 ZINC000903262456 1312517948 /nfs/dbraw/zinc/51/79/48/1312517948.db2.gz DYSBURLRLKZSJY-QKPAOTATSA-N 1 0 336.436 2.806 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164460701 1312518261 /nfs/dbraw/zinc/51/82/61/1312518261.db2.gz FYRUMTNRDGPFKC-IUCAKERBSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C[NH3+])CC[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164468535 1312519875 /nfs/dbraw/zinc/51/98/75/1312519875.db2.gz SBJKAKLGFQWRBC-KGLIPLIRSA-N 1 0 341.415 2.924 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C[NH3+])CC[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164468536 1312520004 /nfs/dbraw/zinc/52/00/04/1312520004.db2.gz SBJKAKLGFQWRBC-UONOGXRCSA-N 1 0 341.415 2.924 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC001164492511 1312524740 /nfs/dbraw/zinc/52/47/40/1312524740.db2.gz LZCWPPWLKBHOQJ-OWCLPIDISA-N 1 0 339.399 2.707 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c1 ZINC001164608215 1312548762 /nfs/dbraw/zinc/54/87/62/1312548762.db2.gz ALVYZDLVWXFKGN-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc2c1 ZINC001164608324 1312548814 /nfs/dbraw/zinc/54/88/14/1312548814.db2.gz QIOOLJSYDDUMLS-OAHLLOKOSA-N 1 0 349.394 2.559 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000903300295 1312550721 /nfs/dbraw/zinc/55/07/21/1312550721.db2.gz XXFPNSLBBIKTMX-KMANFZQXSA-N 1 0 334.416 2.700 20 5 EFBDRO Cc1c(C)c(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164613334 1312551022 /nfs/dbraw/zinc/55/10/22/1312551022.db2.gz VLKCLXKZDIMVRB-MRXNPFEDSA-N 1 0 326.400 2.628 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001164612213 1312551247 /nfs/dbraw/zinc/55/12/47/1312551247.db2.gz NLTQWTNBQORQFD-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001165074021 1312562928 /nfs/dbraw/zinc/56/29/28/1312562928.db2.gz IRHOOVNSJASBRK-ZDUSSCGKSA-N 1 0 327.388 2.582 20 5 EFBDRO Cc1ccc(-c2ccc(N3CC(C)([NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001165120860 1312572125 /nfs/dbraw/zinc/57/21/25/1312572125.db2.gz PKXZWPMXTPDXTM-UHFFFAOYSA-N 1 0 327.388 2.501 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165140695 1312576985 /nfs/dbraw/zinc/57/69/85/1312576985.db2.gz YIOIOMUEQWKVIA-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO C[NH+]1C[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001165147320 1312577955 /nfs/dbraw/zinc/57/79/55/1312577955.db2.gz DPXCRJAPHQWSLQ-GHMZBOCLSA-N 1 0 332.791 2.794 20 5 EFBDRO C[NH+]1C[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001165150053 1312578480 /nfs/dbraw/zinc/57/84/80/1312578480.db2.gz QQFLPABDJLIQDU-QWRGUYRKSA-N 1 0 332.791 2.794 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001165182874 1312582011 /nfs/dbraw/zinc/58/20/11/1312582011.db2.gz XRCYIVHXZFLBLC-GWCFXTLKSA-N 1 0 346.765 2.576 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903344426 1312584565 /nfs/dbraw/zinc/58/45/65/1312584565.db2.gz VWCWVDCHYGAKDC-RDJZCZTQSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1N ZINC001165203342 1312585394 /nfs/dbraw/zinc/58/53/94/1312585394.db2.gz UUVXXHYWJPLJFD-KBPBESRZSA-N 1 0 341.415 2.671 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1N ZINC001165203344 1312585408 /nfs/dbraw/zinc/58/54/08/1312585408.db2.gz UUVXXHYWJPLJFD-UONOGXRCSA-N 1 0 341.415 2.671 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1-n1ncc2c1CC[NH2+]C2 ZINC001165218960 1312589019 /nfs/dbraw/zinc/58/90/19/1312589019.db2.gz NDLONPSHHRJFRG-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1C1CC1 ZINC001165221544 1312589989 /nfs/dbraw/zinc/58/99/89/1312589989.db2.gz MZDDEDZLYVONEG-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[NH2+]C3)nc1Cl ZINC001165237387 1312592777 /nfs/dbraw/zinc/59/27/77/1312592777.db2.gz WOPVUXXZBBVRGI-CYBMUJFWSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[NH2+]C3)nc1Cl ZINC001165237388 1312592782 /nfs/dbraw/zinc/59/27/82/1312592782.db2.gz WOPVUXXZBBVRGI-ZDUSSCGKSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165237023 1312592818 /nfs/dbraw/zinc/59/28/18/1312592818.db2.gz RCRFFHNQAJCYKL-ZDUSSCGKSA-N 1 0 331.203 2.877 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@]3(C2)CCC[NH2+]C3)cnc1Cl ZINC001165236264 1312592837 /nfs/dbraw/zinc/59/28/37/1312592837.db2.gz HZHREXMEGINGPP-CYBMUJFWSA-N 1 0 346.765 2.768 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165237022 1312592892 /nfs/dbraw/zinc/59/28/92/1312592892.db2.gz RCRFFHNQAJCYKL-CYBMUJFWSA-N 1 0 331.203 2.877 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001165243585 1312594041 /nfs/dbraw/zinc/59/40/41/1312594041.db2.gz OOJSYZUBYHCSMM-GOSISDBHSA-N 1 0 339.399 2.632 20 5 EFBDRO Cc1cc(N2CCC(F)(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165263921 1312598057 /nfs/dbraw/zinc/59/80/57/1312598057.db2.gz MDAHVORSVZLSBA-UHFFFAOYSA-N 1 0 345.378 2.627 20 5 EFBDRO O=[N+]([O-])c1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165300866 1312606013 /nfs/dbraw/zinc/60/60/13/1312606013.db2.gz MDRVMEIMFJUYKI-NSHDSACASA-N 1 0 330.310 2.643 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165349935 1312613310 /nfs/dbraw/zinc/61/33/10/1312613310.db2.gz KRRGEKBIEZJNKP-GXTWGEPZSA-N 1 0 330.775 2.719 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@H]4[NH2+]C[C@@H]43)nn2)ccc1Cl ZINC001165396286 1312620528 /nfs/dbraw/zinc/62/05/28/1312620528.db2.gz QYDFFSAMOBRAKT-HIFRSBDPSA-N 1 0 345.790 2.646 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165410866 1312623867 /nfs/dbraw/zinc/62/38/67/1312623867.db2.gz MUVKCLVWSFFHHC-UHFFFAOYSA-N 1 0 331.203 2.732 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(F)c1 ZINC001165422344 1312626908 /nfs/dbraw/zinc/62/69/08/1312626908.db2.gz RYSHTMCFYYSKSO-QAPCUYQASA-N 1 0 342.374 2.712 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]2CF)CC1 ZINC001165428759 1312628274 /nfs/dbraw/zinc/62/82/74/1312628274.db2.gz GAKFFPUTPILWPG-YPMHNXCESA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1cc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165428481 1312628465 /nfs/dbraw/zinc/62/84/65/1312628465.db2.gz DAIODCZZQBDFHY-IUODEOHRSA-N 1 0 344.390 2.965 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]2CF)CC1 ZINC001165433440 1312630314 /nfs/dbraw/zinc/63/03/14/1312630314.db2.gz WJVILKYKJZSYQN-CHWSQXEVSA-N 1 0 330.363 2.656 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(CCO)cc2)n1 ZINC000903402274 1312634626 /nfs/dbraw/zinc/63/46/26/1312634626.db2.gz ANZOXNVWHPFNOD-SJORKVTESA-N 1 0 344.415 2.600 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(CCO)cc2)n1 ZINC000903402272 1312634780 /nfs/dbraw/zinc/63/47/80/1312634780.db2.gz ANZOXNVWHPFNOD-IAGOWNOFSA-N 1 0 344.415 2.600 20 5 EFBDRO C[N@H+](C1CN(Cc2ccc3ccc4cccnc4c3n2)C1)[C@@H]1CCOC1 ZINC001232222899 1312651530 /nfs/dbraw/zinc/65/15/30/1312651530.db2.gz IGEGFHSHZCJNMU-GOSISDBHSA-N 1 0 348.450 2.688 20 5 EFBDRO CC(=O)NC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219272 1312651759 /nfs/dbraw/zinc/65/17/59/1312651759.db2.gz OOQNYTJCOCGNOW-UHFFFAOYSA-N 1 0 334.423 2.884 20 5 EFBDRO Cc1cnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001165671884 1312660732 /nfs/dbraw/zinc/66/07/32/1312660732.db2.gz NCSHQYBCTXIWAP-AWEZNQCLSA-N 1 0 348.447 2.814 20 5 EFBDRO CN(Cc1nc(-c2cc3ccccc3c3ccccc23)no1)C(=O)C[NH3+] ZINC001211362182 1314484463 /nfs/dbraw/zinc/48/44/63/1314484463.db2.gz TXGUCXCAQRCUHB-UHFFFAOYSA-N 1 0 346.390 2.960 20 5 EFBDRO CCOC(=O)c1cc(Nc2c[nH+]ccc2N(C)C)cc([N+](=O)[O-])c1 ZINC001211367479 1314485086 /nfs/dbraw/zinc/48/50/86/1314485086.db2.gz MIXJZKHMLDQOSO-UHFFFAOYSA-N 1 0 330.344 2.976 20 5 EFBDRO Nc1c[nH+]cn1-c1cc(C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001211407701 1314494722 /nfs/dbraw/zinc/49/47/22/1314494722.db2.gz UFMAEOSICGCHNA-UHFFFAOYSA-N 1 0 338.323 2.720 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019942822 1314544940 /nfs/dbraw/zinc/54/49/40/1314544940.db2.gz IGXBDQKMHHZVJE-HDJSIYSDSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001019945627 1314546228 /nfs/dbraw/zinc/54/62/28/1314546228.db2.gz NAMUIJGTWVHFMU-WKILWMFISA-N 1 0 325.368 2.645 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccs1 ZINC001019955853 1314549295 /nfs/dbraw/zinc/54/92/95/1314549295.db2.gz HOUQGQMHNCHMOK-JOCQHMNTSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019962206 1314550422 /nfs/dbraw/zinc/55/04/22/1314550422.db2.gz OHOBHRZGSRCROW-SHTZXODSSA-N 1 0 345.424 2.636 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNCc2ccccc2)c([N+](=O)[O-])c1 ZINC001246166995 1314592572 /nfs/dbraw/zinc/59/25/72/1314592572.db2.gz AHFBNXBOIJXKPH-OAHLLOKOSA-N 1 0 343.427 2.914 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](N)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001246301530 1314607731 /nfs/dbraw/zinc/60/77/31/1314607731.db2.gz ZCDADLUTMBTUDR-PBHICJAKSA-N 1 0 343.427 2.694 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001020105923 1314612175 /nfs/dbraw/zinc/61/21/75/1314612175.db2.gz TXTHSLISFBRKHP-SHTZXODSSA-N 1 0 329.356 2.547 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC001020122746 1314620040 /nfs/dbraw/zinc/62/00/40/1314620040.db2.gz WDMVUTFHFUVEAP-JOCQHMNTSA-N 1 0 337.445 2.829 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CN)c2ccccc2)c([N+](=O)[O-])c1 ZINC001246508177 1314639937 /nfs/dbraw/zinc/63/99/37/1314639937.db2.gz QRDRTLPQNKTQNW-CXAGYDPISA-N 1 0 329.400 2.824 20 5 EFBDRO C[C@@H]1CC[C@@H](CN)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246558087 1314647387 /nfs/dbraw/zinc/64/73/87/1314647387.db2.gz OHKNHNDCKRTYGG-KDOFPFPSSA-N 1 0 332.448 2.623 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@@H](C[NH3+])C2)c1F ZINC001246584226 1314652440 /nfs/dbraw/zinc/65/24/40/1314652440.db2.gz TXJHHEJEUBMPLA-OLZOCXBDSA-N 1 0 339.411 2.734 20 5 EFBDRO [NH3+][C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001246590539 1314653807 /nfs/dbraw/zinc/65/38/07/1314653807.db2.gz USNOJPOWMLHWFE-ZIAGYGMSSA-N 1 0 325.359 2.511 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246603723 1314656100 /nfs/dbraw/zinc/65/61/00/1314656100.db2.gz RKRINUJZRCJEGH-ICSRJNTNSA-N 1 0 337.423 2.579 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH2+][C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001246827021 1314690465 /nfs/dbraw/zinc/69/04/65/1314690465.db2.gz ZSWGWJCZDACLJI-ZBFHGGJFSA-N 1 0 335.448 2.854 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3(C2)CCCC[NH2+]3)c1F ZINC001246835234 1314692949 /nfs/dbraw/zinc/69/29/49/1314692949.db2.gz ZQFVLHUUYJHLOJ-GFCCVEGCSA-N 1 0 337.395 2.501 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001020303171 1314721998 /nfs/dbraw/zinc/72/19/98/1314721998.db2.gz JZKIXLITLTYIND-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@H]3CCCC[C@@H]23)n1 ZINC001247947076 1314871878 /nfs/dbraw/zinc/87/18/78/1314871878.db2.gz ZNWAEPNFVWVRSQ-JLLWLGSASA-N 1 0 347.350 2.672 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248216861 1314907719 /nfs/dbraw/zinc/90/77/19/1314907719.db2.gz QAZUENBQRQLBOJ-CQSZACIVSA-N 1 0 342.330 2.896 20 5 EFBDRO COc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC001248466655 1314937489 /nfs/dbraw/zinc/93/74/89/1314937489.db2.gz WDLRCDPPOPNVKZ-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CCC[NH+]2CCCCC2)n1 ZINC001248962389 1315004388 /nfs/dbraw/zinc/00/43/88/1315004388.db2.gz BNOWKWZHSPKFQD-UHFFFAOYSA-N 1 0 335.339 2.597 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001216962800 1315026790 /nfs/dbraw/zinc/02/67/90/1315026790.db2.gz QMJWDSCFAVHHLV-MRVPVSSYSA-N 1 0 329.291 2.866 20 5 EFBDRO C[C@@H]([NH3+])c1cccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001217098660 1315034874 /nfs/dbraw/zinc/03/48/74/1315034874.db2.gz PTSFIQWOIWWNIH-MRVPVSSYSA-N 1 0 329.291 2.866 20 5 EFBDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)nc1 ZINC001249278735 1315044014 /nfs/dbraw/zinc/04/40/14/1315044014.db2.gz PGNROLRAPZZCQT-CYBMUJFWSA-N 1 0 325.328 2.591 20 5 EFBDRO Cc1ccncc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278017 1315044464 /nfs/dbraw/zinc/04/44/64/1315044464.db2.gz CUANUQRPJDVLBM-CQSZACIVSA-N 1 0 325.328 2.591 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc3c(s2)C[NH2+]CC3)n1 ZINC001217305294 1315057851 /nfs/dbraw/zinc/05/78/51/1315057851.db2.gz NHZJBEKBLBQJLI-UHFFFAOYSA-N 1 0 347.331 2.553 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(OC2CC[NH+](C)CC2)cn1 ZINC001249546792 1315094002 /nfs/dbraw/zinc/09/40/02/1315094002.db2.gz XVZIDKCVHFIRGI-UHFFFAOYSA-N 1 0 343.387 2.910 20 5 EFBDRO [NH3+][C@@H](Cc1nnc(Cc2ccccc2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716436 1315105048 /nfs/dbraw/zinc/10/50/48/1315105048.db2.gz IZJQLEKDFSDMIT-OAHLLOKOSA-N 1 0 338.367 2.681 20 5 EFBDRO CC1(C)[NH2+][C@@H](CO[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CO1 ZINC001217917369 1315120789 /nfs/dbraw/zinc/12/07/89/1315120789.db2.gz WKPJFUFOJVYMJI-JQWIXIFHSA-N 1 0 334.294 2.939 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217946393 1315123521 /nfs/dbraw/zinc/12/35/21/1315123521.db2.gz FPCOUMVQJWYRDT-RYUDHWBXSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[NH2+]C[C@@H]3F)[nH]c2cc1Cl ZINC001217945970 1315123592 /nfs/dbraw/zinc/12/35/92/1315123592.db2.gz FUXUTQBWGFZTGH-QPUJVOFHSA-N 1 0 328.731 2.593 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCCC[NH2+]C1 ZINC001217971866 1315127306 /nfs/dbraw/zinc/12/73/06/1315127306.db2.gz YIZSWYGKILOJCL-SNVBAGLBSA-N 1 0 328.752 2.556 20 5 EFBDRO O=c1ccc2ncc(O[C@@H]3CCCC[NH2+]C3)c3c4ccccc4n1c32 ZINC001217973553 1315127976 /nfs/dbraw/zinc/12/79/76/1315127976.db2.gz FHODZURSWSLVLG-CYBMUJFWSA-N 1 0 333.391 2.960 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217977624 1315128198 /nfs/dbraw/zinc/12/81/98/1315128198.db2.gz NWLDXWCLGZPHOE-GXFFZTMASA-N 1 0 340.742 2.660 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979179 1315128313 /nfs/dbraw/zinc/12/83/13/1315128313.db2.gz GGWDVLHRRNFBIK-GXSJLCMTSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1nc(O[C@H]2CCC[NH2+]C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001217989091 1315129753 /nfs/dbraw/zinc/12/97/53/1315129753.db2.gz PWFBQTCGUCIPPQ-PELKAZGASA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001218001227 1315131671 /nfs/dbraw/zinc/13/16/71/1315131671.db2.gz RPYVENUWAWDTAA-IONNQARKSA-N 1 0 339.548 2.699 20 5 EFBDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001218065409 1315141806 /nfs/dbraw/zinc/14/18/06/1315141806.db2.gz FNDZZFRYKULDGT-KOLCDFICSA-N 1 0 333.157 2.745 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])c1 ZINC001218071892 1315143289 /nfs/dbraw/zinc/14/32/89/1315143289.db2.gz QLGGANCTQLHORE-MFKMUULPSA-N 1 0 341.339 2.879 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218074942 1315144592 /nfs/dbraw/zinc/14/45/92/1315144592.db2.gz RUDPFIISTNXSDM-IRXDYDNUSA-N 1 0 339.395 2.687 20 5 EFBDRO O=c1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218088354 1315146818 /nfs/dbraw/zinc/14/68/18/1315146818.db2.gz DKNYHIGCQGMORC-NVXWUHKLSA-N 1 0 329.356 2.760 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]CCN4C3)cc2)c1 ZINC001218107456 1315149589 /nfs/dbraw/zinc/14/95/89/1315149589.db2.gz XDNGRVALEYIQHA-PKOBYXMFSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218114420 1315151196 /nfs/dbraw/zinc/15/11/96/1315151196.db2.gz IUCNJXBQNJAVLZ-STQMWFEESA-N 1 0 327.178 2.878 20 5 EFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CC[NH2+]C3)c([N+](=O)[O-])c2)cc1 ZINC001218180215 1315160415 /nfs/dbraw/zinc/16/04/15/1315160415.db2.gz MYMZTQCYWJRNHV-AWEZNQCLSA-N 1 0 342.351 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001218383892 1315187273 /nfs/dbraw/zinc/18/72/73/1315187273.db2.gz OSDINHYAVMHYIP-HNNXBMFYSA-N 1 0 343.358 2.995 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1Br ZINC001218406595 1315191221 /nfs/dbraw/zinc/19/12/21/1315191221.db2.gz VDXAVQDPXWIAHX-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218424206 1315194370 /nfs/dbraw/zinc/19/43/70/1315194370.db2.gz MYDYZFBNCLQBDA-BXUZGUMPSA-N 1 0 336.388 2.927 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC001218450255 1315197795 /nfs/dbraw/zinc/19/77/95/1315197795.db2.gz XYYIQPIHTJHJDC-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@H]3C[NH2+]CCC3(F)F)[nH]c2cc1Cl ZINC001218453551 1315198760 /nfs/dbraw/zinc/19/87/60/1315198760.db2.gz XGUZNDFAJGHSHO-JTQLQIEISA-N 1 0 332.694 2.501 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218485289 1315204060 /nfs/dbraw/zinc/20/40/60/1315204060.db2.gz GUPGXBCEKHZHCW-QGZVFWFLSA-N 1 0 342.351 2.995 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c([N+](=O)[O-])c1 ZINC001218493870 1315204474 /nfs/dbraw/zinc/20/44/74/1315204474.db2.gz ADVBEYBFCBEBJV-JVLSTEMRSA-N 1 0 334.372 2.679 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001218856887 1315250779 /nfs/dbraw/zinc/25/07/79/1315250779.db2.gz GGHVGIDVEOGJHR-LBPRGKRZSA-N 1 0 335.411 2.693 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001318404813 1328577434 /nfs/dbraw/zinc/57/74/34/1328577434.db2.gz WLYZLUWPBOJETC-CHWSQXEVSA-N 1 0 325.796 2.851 20 5 EFBDRO Nc1ccc2n(C(=O)c3ccccc3C[NH3+])c3ccccc3cc-2c1=O ZINC001219256981 1315294703 /nfs/dbraw/zinc/29/47/03/1315294703.db2.gz ZPIQFXGUTRSKDR-UHFFFAOYSA-N 1 0 343.386 2.836 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001219666370 1315334033 /nfs/dbraw/zinc/33/40/33/1315334033.db2.gz IDTJLVHCUJVUCB-KBPBESRZSA-N 1 0 334.423 2.758 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001251758118 1315376308 /nfs/dbraw/zinc/37/63/08/1315376308.db2.gz HMFONSNREUFJCE-KGLIPLIRSA-N 1 0 331.372 2.944 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001251758121 1315376492 /nfs/dbraw/zinc/37/64/92/1315376492.db2.gz HMFONSNREUFJCE-ZIAGYGMSSA-N 1 0 331.372 2.944 20 5 EFBDRO CCOC(=O)CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465534 1315706850 /nfs/dbraw/zinc/70/68/50/1315706850.db2.gz BNIRLALCLAQJGL-UHFFFAOYSA-N 1 0 349.431 2.887 20 5 EFBDRO [NH3+]Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254467452 1315706996 /nfs/dbraw/zinc/70/69/96/1315706996.db2.gz AGPBKFHLADGCEX-UHFFFAOYSA-N 1 0 327.388 2.529 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC001254468905 1315707081 /nfs/dbraw/zinc/70/70/81/1315707081.db2.gz QMUXJVAXKQOVLC-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(F)CCOCC3)CC2)cc1 ZINC001254467066 1315707153 /nfs/dbraw/zinc/70/71/53/1315707153.db2.gz VBNAOHFESCBSSP-UHFFFAOYSA-N 1 0 337.395 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnc(Cl)cn3)CC2)cc1 ZINC001254472899 1315707593 /nfs/dbraw/zinc/70/75/93/1315707593.db2.gz UGGHNELKNJQNNT-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1O ZINC001254474718 1315707629 /nfs/dbraw/zinc/70/76/29/1315707629.db2.gz UGGOVIOAYOFHIN-RDTXWAMCSA-N 1 0 333.432 2.656 20 5 EFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474201 1315707733 /nfs/dbraw/zinc/70/77/33/1315707733.db2.gz NVCMUIZQYLWYIO-GOSISDBHSA-N 1 0 347.415 2.591 20 5 EFBDRO CC(C)[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479626 1315707947 /nfs/dbraw/zinc/70/79/47/1315707947.db2.gz FQFRTVHXCBIWQK-GOSISDBHSA-N 1 0 333.432 2.920 20 5 EFBDRO CC[N@H+](CCN1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478972 1315707974 /nfs/dbraw/zinc/70/79/74/1315707974.db2.gz MVYUGEZJSVBMFD-UHFFFAOYSA-N 1 0 346.475 2.981 20 5 EFBDRO CC[N@H+](CCn1cccn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480025 1315708165 /nfs/dbraw/zinc/70/81/65/1315708165.db2.gz URLHPWHICNBUNK-UHFFFAOYSA-N 1 0 343.431 2.782 20 5 EFBDRO CN(C1CC1)[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480690 1315708312 /nfs/dbraw/zinc/70/83/12/1315708312.db2.gz LKHPVPFMAOBVBC-LJQANCHMSA-N 1 0 344.459 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC001254480223 1315708407 /nfs/dbraw/zinc/70/84/07/1315708407.db2.gz YPJMNFPUIYDUDH-UHFFFAOYSA-N 1 0 344.459 2.734 20 5 EFBDRO Cc1cc(C[N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(C)n1 ZINC001254478538 1315708417 /nfs/dbraw/zinc/70/84/17/1315708417.db2.gz GILHZVLAJPHULX-UHFFFAOYSA-N 1 0 343.431 2.738 20 5 EFBDRO CN(C)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478545 1315708423 /nfs/dbraw/zinc/70/84/23/1315708423.db2.gz GLKSZKXQHDAJED-GOSISDBHSA-N 1 0 332.448 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001254479882 1315708473 /nfs/dbraw/zinc/70/84/73/1315708473.db2.gz OXKLAKRAABYJFG-SFHVURJKSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC(N4CCC4)CC3)CC2)cc1 ZINC001254483984 1315708774 /nfs/dbraw/zinc/70/87/74/1315708774.db2.gz ZMBPDBPQYVZGCM-UHFFFAOYSA-N 1 0 344.459 2.734 20 5 EFBDRO O=C1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]12 ZINC001254482611 1315708980 /nfs/dbraw/zinc/70/89/80/1315708980.db2.gz LHOVBVYTVMSWON-RDTXWAMCSA-N 1 0 343.427 2.865 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 ZINC001001106642 1315710913 /nfs/dbraw/zinc/71/09/13/1315710913.db2.gz WJHQQDOTLSXUFM-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001254532186 1315720113 /nfs/dbraw/zinc/72/01/13/1315720113.db2.gz KAKMPCFNQJDHFT-WFASDCNBSA-N 1 0 327.384 2.774 20 5 EFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254540173 1315721204 /nfs/dbraw/zinc/72/12/04/1315721204.db2.gz PPQPOYHEQHVCKS-PBHICJAKSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001254535815 1315721440 /nfs/dbraw/zinc/72/14/40/1315721440.db2.gz LPNPPPKBDWDDCO-LRDDRELGSA-N 1 0 325.368 2.679 20 5 EFBDRO COc1cccc([C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254540986 1315721669 /nfs/dbraw/zinc/72/16/69/1315721669.db2.gz XTDURRUERSJVOW-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CCCCC1 ZINC001254542122 1315721704 /nfs/dbraw/zinc/72/17/04/1315721704.db2.gz MCDNPORGYNZOTC-CQSZACIVSA-N 1 0 333.432 2.812 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1nccs1 ZINC001254540729 1315721937 /nfs/dbraw/zinc/72/19/37/1315721937.db2.gz VBIYJLICYBBFCN-NSHDSACASA-N 1 0 334.401 2.601 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(F)(F)CC1 ZINC001254549115 1315722081 /nfs/dbraw/zinc/72/20/81/1315722081.db2.gz RTOVXCRVOCKSEW-CYBMUJFWSA-N 1 0 327.375 2.847 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC001254547154 1315722204 /nfs/dbraw/zinc/72/22/04/1315722204.db2.gz VTTBIRZVTCCKDU-ZDUSSCGKSA-N 1 0 345.374 2.571 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C(=O)Nc2ccccc21 ZINC001254549336 1315722341 /nfs/dbraw/zinc/72/23/41/1315722341.db2.gz RWZCGISKKPQPON-WFASDCNBSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC001254550800 1315722696 /nfs/dbraw/zinc/72/26/96/1315722696.db2.gz RKZGSMFQXNHLIT-HNNXBMFYSA-N 1 0 326.400 2.743 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OCC2CC2)ncn1 ZINC001254550066 1315722780 /nfs/dbraw/zinc/72/27/80/1315722780.db2.gz ZUSVMQYKNMFKRA-CYBMUJFWSA-N 1 0 342.399 2.894 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)C1CC[NH2+]CC1 ZINC001254559828 1315723262 /nfs/dbraw/zinc/72/32/62/1315723262.db2.gz NJZVUNZKBRDRRT-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nncn2C)CC1 ZINC001254558555 1315723440 /nfs/dbraw/zinc/72/34/40/1315723440.db2.gz FWFRYJXCFPWJSJ-CYBMUJFWSA-N 1 0 329.404 2.534 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001254557837 1315723679 /nfs/dbraw/zinc/72/36/79/1315723679.db2.gz CHNFLUQNUFTFAT-INIZCTEOSA-N 1 0 347.459 2.713 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC001254560800 1315723943 /nfs/dbraw/zinc/72/39/43/1315723943.db2.gz YNSAAYLPQQFRKT-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001254562763 1315724104 /nfs/dbraw/zinc/72/41/04/1315724104.db2.gz UEBOZXMKDNHMEB-KSSFIOAISA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001254561115 1315724187 /nfs/dbraw/zinc/72/41/87/1315724187.db2.gz FICNKBGQHOYSLB-CYBMUJFWSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001254562016 1315724197 /nfs/dbraw/zinc/72/41/97/1315724197.db2.gz OARFJIPSYFMHOH-HNNXBMFYSA-N 1 0 329.444 2.944 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001254563479 1315724212 /nfs/dbraw/zinc/72/42/12/1315724212.db2.gz WXULBXNBQMIJPP-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC001254564802 1315724596 /nfs/dbraw/zinc/72/45/96/1315724596.db2.gz AGXMLGVRNUSOHK-SMDDNHRTSA-N 1 0 335.404 2.565 20 5 EFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566855 1315724621 /nfs/dbraw/zinc/72/46/21/1315724621.db2.gz UQEJBZZJNCFYII-CLWVCHIJSA-N 1 0 332.400 2.799 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCS1 ZINC001254564841 1315724700 /nfs/dbraw/zinc/72/47/00/1315724700.db2.gz NLENWTUTOAVDDT-SWLSCSKDSA-N 1 0 338.429 2.506 20 5 EFBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCS1 ZINC001254564849 1315724932 /nfs/dbraw/zinc/72/49/32/1315724932.db2.gz NLENWTUTOAVDDT-WFASDCNBSA-N 1 0 338.429 2.506 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001254570573 1315725181 /nfs/dbraw/zinc/72/51/81/1315725181.db2.gz NYOAJHQVAWHVLQ-ZBFHGGJFSA-N 1 0 342.399 2.859 20 5 EFBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570652 1315725216 /nfs/dbraw/zinc/72/52/16/1315725216.db2.gz PEHAGWHEMRFOTJ-HOCLYGCPSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001254571446 1315725632 /nfs/dbraw/zinc/72/56/32/1315725632.db2.gz VQRVIBZDNAGGTH-CQSZACIVSA-N 1 0 347.415 2.833 20 5 EFBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254574632 1315725855 /nfs/dbraw/zinc/72/58/55/1315725855.db2.gz JJZWEJSUNJNJQT-MRXNPFEDSA-N 1 0 343.358 2.820 20 5 EFBDRO COc1cc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC001254572230 1315725878 /nfs/dbraw/zinc/72/58/78/1315725878.db2.gz KDOZORNNJIZNJZ-MRXNPFEDSA-N 1 0 342.395 2.912 20 5 EFBDRO COc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254571895 1315725902 /nfs/dbraw/zinc/72/59/02/1315725902.db2.gz CPYKRUSQTOGXOM-MRXNPFEDSA-N 1 0 342.395 2.912 20 5 EFBDRO COc1cc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC001254572229 1315725915 /nfs/dbraw/zinc/72/59/15/1315725915.db2.gz KDOZORNNJIZNJZ-INIZCTEOSA-N 1 0 342.395 2.912 20 5 EFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574556 1315726109 /nfs/dbraw/zinc/72/61/09/1315726109.db2.gz ILBGIAWSAKQBQX-QGZVFWFLSA-N 1 0 349.394 2.694 20 5 EFBDRO Cn1c2ccccc2nc1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571712 1315726172 /nfs/dbraw/zinc/72/61/72/1315726172.db2.gz ARCFUDWVQBOBEQ-OAHLLOKOSA-N 1 0 336.395 2.781 20 5 EFBDRO COc1ccccc1OCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571951 1315726175 /nfs/dbraw/zinc/72/61/75/1315726175.db2.gz FAQLUMCFJGYROY-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO CN(C)c1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572657 1315726231 /nfs/dbraw/zinc/72/62/31/1315726231.db2.gz RKXRTUYSYOJNHP-KRWDZBQOSA-N 1 0 325.412 2.960 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001254578168 1315726624 /nfs/dbraw/zinc/72/66/24/1315726624.db2.gz JYWBRYATMJDKGF-DLBZAZTESA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)Cc1ccccc1Cl)C2 ZINC001254577016 1315726630 /nfs/dbraw/zinc/72/66/30/1315726630.db2.gz BHRXURZQEFKRIF-HZPDHXFCSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)Cc1ccccc1Cl)C2 ZINC001254577014 1315726741 /nfs/dbraw/zinc/72/67/41/1315726741.db2.gz BHRXURZQEFKRIF-CVEARBPZSA-N 1 0 346.814 2.909 20 5 EFBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580145 1315726890 /nfs/dbraw/zinc/72/68/90/1315726890.db2.gz CFMQKELDCDHYAN-MRXNPFEDSA-N 1 0 345.443 2.689 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001254580008 1315726898 /nfs/dbraw/zinc/72/68/98/1315726898.db2.gz YMSUTHFFRMDGAC-CYBMUJFWSA-N 1 0 335.310 2.848 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cncn1CC1CCC1)C2 ZINC001254580059 1315726981 /nfs/dbraw/zinc/72/69/81/1315726981.db2.gz AJQDJYQTUNOKKN-INIZCTEOSA-N 1 0 326.400 2.848 20 5 EFBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccc(F)cc1 ZINC001254581070 1315727047 /nfs/dbraw/zinc/72/70/47/1315727047.db2.gz JSMHUQIQRXMERW-MRXNPFEDSA-N 1 0 328.343 2.603 20 5 EFBDRO COc1ccc(OC)c(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579947 1315727090 /nfs/dbraw/zinc/72/70/90/1315727090.db2.gz XKLMMKPFCJVPQR-MRXNPFEDSA-N 1 0 342.395 2.912 20 5 EFBDRO COC(=O)CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254582010 1315727157 /nfs/dbraw/zinc/72/71/57/1315727157.db2.gz RUPKMDQKSUHMEM-HNNXBMFYSA-N 1 0 332.400 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)C2 ZINC001254583714 1315727427 /nfs/dbraw/zinc/72/74/27/1315727427.db2.gz CWGGGKVSOMIAOY-ROUUACIJSA-N 1 0 329.444 2.916 20 5 EFBDRO CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584683 1315727493 /nfs/dbraw/zinc/72/74/93/1315727493.db2.gz IURUXTDFDYHFDL-IAGOWNOFSA-N 1 0 345.443 2.689 20 5 EFBDRO CC(=O)Nc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584273 1315727525 /nfs/dbraw/zinc/72/75/25/1315727525.db2.gz GZWGYSHIZMVBFQ-SFHVURJKSA-N 1 0 339.395 2.853 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OC3CCC3)ncn1)C2 ZINC001254588320 1315727877 /nfs/dbraw/zinc/72/78/77/1315727877.db2.gz XWZHSHMQGWGTGN-CQSZACIVSA-N 1 0 340.383 2.573 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cn(CC3CCC3)cn1)C2 ZINC001254586494 1315727994 /nfs/dbraw/zinc/72/79/94/1315727994.db2.gz KKSGZIPZUCTFNP-INIZCTEOSA-N 1 0 326.400 2.848 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCOc1cc(Cl)ccn1)C2 ZINC001254589035 1315728351 /nfs/dbraw/zinc/72/83/51/1315728351.db2.gz LJRGWDRVUXRRJC-AWEZNQCLSA-N 1 0 333.775 2.779 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001254589033 1315728411 /nfs/dbraw/zinc/72/84/11/1315728411.db2.gz LJFLTGXJKPMJPO-HZPDHXFCSA-N 1 0 348.349 2.533 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC001254589454 1315728704 /nfs/dbraw/zinc/72/87/04/1315728704.db2.gz PANVUXNFHVAANQ-NVXWUHKLSA-N 1 0 340.379 2.882 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594010 1315728931 /nfs/dbraw/zinc/72/89/31/1315728931.db2.gz PFARHXULVYTBTO-HOCLYGCPSA-N 1 0 347.415 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CC(F)(F)CO3)CC1)C2 ZINC001254595397 1315728953 /nfs/dbraw/zinc/72/89/53/1315728953.db2.gz WQFMPPCSXNGIDM-OAHLLOKOSA-N 1 0 338.354 2.952 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597428 1315729047 /nfs/dbraw/zinc/72/90/47/1315729047.db2.gz VNOSVYUNWGBNAD-UZLBHIALSA-N 1 0 349.390 2.658 20 5 EFBDRO COCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001254595904 1315729168 /nfs/dbraw/zinc/72/91/68/1315729168.db2.gz AGTPETKJGXHYNP-GOSISDBHSA-N 1 0 338.407 2.836 20 5 EFBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598628 1315729198 /nfs/dbraw/zinc/72/91/98/1315729198.db2.gz LAKAQDLPWHSJDX-YJBOKZPZSA-N 1 0 345.443 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC001254599303 1315729216 /nfs/dbraw/zinc/72/92/16/1315729216.db2.gz NMQRLHNWEPUBTB-GOSISDBHSA-N 1 0 339.395 2.590 20 5 EFBDRO Cc1cccc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254596077 1315729228 /nfs/dbraw/zinc/72/92/28/1315729228.db2.gz BQGRJAYFQJZDGE-SFHVURJKSA-N 1 0 338.411 2.588 20 5 EFBDRO CCc1noc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254602543 1315729718 /nfs/dbraw/zinc/72/97/18/1315729718.db2.gz GDZSUNKCRSRHLV-MRXNPFEDSA-N 1 0 342.399 2.887 20 5 EFBDRO O=C([C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599955 1315729756 /nfs/dbraw/zinc/72/97/56/1315729756.db2.gz NEXUDBWLVWFHPI-QZTJIDSGSA-N 1 0 343.427 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001254599940 1315729806 /nfs/dbraw/zinc/72/98/06/1315729806.db2.gz MZPRCEVRLDNYML-SJLPKXTDSA-N 1 0 325.368 2.610 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCO[C@@H](c3ccccn3)C1)C2 ZINC001254603856 1315729876 /nfs/dbraw/zinc/72/98/76/1315729876.db2.gz RDQDDSGIRWQQTN-FUHWJXTLSA-N 1 0 325.368 2.531 20 5 EFBDRO COC(=O)CN(Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602986 1315729911 /nfs/dbraw/zinc/72/99/11/1315729911.db2.gz JNWNXYMLAUHCSE-SFHVURJKSA-N 1 0 340.379 2.737 20 5 EFBDRO CC(C)CC(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601253 1315729929 /nfs/dbraw/zinc/72/99/29/1315729929.db2.gz WSJYNKMXFPAPSH-SFHVURJKSA-N 1 0 345.443 2.689 20 5 EFBDRO CCc1noc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254602541 1315729948 /nfs/dbraw/zinc/72/99/48/1315729948.db2.gz GDZSUNKCRSRHLV-INIZCTEOSA-N 1 0 342.399 2.887 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001254607245 1315730180 /nfs/dbraw/zinc/73/01/80/1315730180.db2.gz JWGVDWVGMRADHS-IRXDYDNUSA-N 1 0 325.368 2.610 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3cnc(C4CC4)nc3C1)C2 ZINC001254605240 1315730296 /nfs/dbraw/zinc/73/02/96/1315730296.db2.gz AQFSRSUGRRIVJY-KRWDZBQOSA-N 1 0 336.395 2.788 20 5 EFBDRO CCOC(=O)[C@H]1CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609531 1315730852 /nfs/dbraw/zinc/73/08/52/1315730852.db2.gz WYNGGLJYLBEHFI-YOEHRIQHSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001254610215 1315730892 /nfs/dbraw/zinc/73/08/92/1315730892.db2.gz JGYVKKKZEOPIIC-BZSNNMDCSA-N 1 0 333.407 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001254610216 1315730995 /nfs/dbraw/zinc/73/09/95/1315730995.db2.gz JGYVKKKZEOPIIC-FGTMMUONSA-N 1 0 333.407 2.570 20 5 EFBDRO Cc1ccnn1C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609959 1315731038 /nfs/dbraw/zinc/73/10/38/1315731038.db2.gz HHSGJIAONDCPBR-SFHVURJKSA-N 1 0 326.400 2.904 20 5 EFBDRO CCc1noc([C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254609586 1315731124 /nfs/dbraw/zinc/73/11/24/1315731124.db2.gz XYWPJMYQYKVFKG-BBRMVZONSA-N 1 0 342.399 2.887 20 5 EFBDRO CC(=O)NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001001501458 1315733601 /nfs/dbraw/zinc/73/36/01/1315733601.db2.gz GXUYXWJNXUFUFW-UHFFFAOYSA-N 1 0 331.347 2.660 20 5 EFBDRO CCCC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050408935 1315768294 /nfs/dbraw/zinc/76/82/94/1315768294.db2.gz DEXLPQKTGAZHMN-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CC1(C(=O)N2CC3(C2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC3)CC1 ZINC001050529140 1315778495 /nfs/dbraw/zinc/77/84/95/1315778495.db2.gz VYCQGFRSJKAZDY-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CC1(C(=O)N2CC3(C2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC3)CC1 ZINC001050529300 1315778784 /nfs/dbraw/zinc/77/87/84/1315778784.db2.gz XGYHTJJPDOTFCX-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001255184398 1315788382 /nfs/dbraw/zinc/78/83/82/1315788382.db2.gz NCMUSDXUFSEQCC-QWRGUYRKSA-N 1 0 342.237 2.882 20 5 EFBDRO CC(=O)N1CCC([N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2CC2)CC1 ZINC001039480397 1315822953 /nfs/dbraw/zinc/82/29/53/1315822953.db2.gz SVSNZVHTUZVFRU-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001255734444 1315862811 /nfs/dbraw/zinc/86/28/11/1315862811.db2.gz VZGCVJJWBMJTCC-NWDGAFQWSA-N 1 0 344.314 2.628 20 5 EFBDRO COCC(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084370 1315903320 /nfs/dbraw/zinc/90/33/20/1315903320.db2.gz BBBJEKGOFFGRDG-UHFFFAOYSA-N 1 0 337.420 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3nc(C)co3)CC2)ccc1[N+](=O)[O-] ZINC001256082531 1315903353 /nfs/dbraw/zinc/90/33/53/1315903353.db2.gz HRRUHRPPTZKCBK-UHFFFAOYSA-N 1 0 346.387 2.658 20 5 EFBDRO COc1cc(N2CCC([NH2+]CCn3cccc3)CC2)ccc1[N+](=O)[O-] ZINC001256084351 1315903367 /nfs/dbraw/zinc/90/33/67/1315903367.db2.gz AMCYHBBJKABIGN-UHFFFAOYSA-N 1 0 344.415 2.664 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256090772 1315903585 /nfs/dbraw/zinc/90/35/85/1315903585.db2.gz YAFQGEMBGWFRLT-BBRMVZONSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093259 1315903761 /nfs/dbraw/zinc/90/37/61/1315903761.db2.gz IXEYPLBPTGJZEU-AWEZNQCLSA-N 1 0 349.431 2.541 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256090774 1315903791 /nfs/dbraw/zinc/90/37/91/1315903791.db2.gz YAFQGEMBGWFRLT-CZUORRHYSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CC(C)(C)O3)CC2)ccc1[N+](=O)[O-] ZINC001256087366 1315903915 /nfs/dbraw/zinc/90/39/15/1315903915.db2.gz YMUDATXQISCKPN-OAHLLOKOSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256095058 1315904084 /nfs/dbraw/zinc/90/40/84/1315904084.db2.gz WRRDNQBNZNEFDB-MRXNPFEDSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCOCC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256099564 1315904090 /nfs/dbraw/zinc/90/40/90/1315904090.db2.gz RPGXJQOXSOCOAV-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO COC[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256093905 1315904569 /nfs/dbraw/zinc/90/45/69/1315904569.db2.gz SIWYDBQRHNWIBY-INIZCTEOSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)[C@@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256103557 1315904724 /nfs/dbraw/zinc/90/47/24/1315904724.db2.gz MKLCDJCWDLNOQZ-MRXNPFEDSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101102 1315905160 /nfs/dbraw/zinc/90/51/60/1315905160.db2.gz MIRJWLVHJCYHOT-AWEZNQCLSA-N 1 0 349.431 2.729 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318481752 1328613176 /nfs/dbraw/zinc/61/31/76/1328613176.db2.gz UYVYTKSPOMZGBE-GOEBONIOSA-N 1 0 346.431 2.772 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000827555215 1316000763 /nfs/dbraw/zinc/00/07/63/1316000763.db2.gz PZBUVANSCHFCOY-GFCCVEGCSA-N 1 0 339.823 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258020349 1316112469 /nfs/dbraw/zinc/11/24/69/1316112469.db2.gz RPHIXOPAFSGLRS-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144643 1316124257 /nfs/dbraw/zinc/12/42/57/1316124257.db2.gz DSSAJKZWBWCSKF-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144644 1316124317 /nfs/dbraw/zinc/12/43/17/1316124317.db2.gz DSSAJKZWBWCSKF-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO O=C(C1CC1)N1CCC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040568324 1316324931 /nfs/dbraw/zinc/32/49/31/1316324931.db2.gz OUXBKTZMRSACQS-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001261653350 1316423149 /nfs/dbraw/zinc/42/31/49/1316423149.db2.gz IFNNLZUPTLJODV-HZMBPMFUSA-N 1 0 349.822 2.968 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001261653351 1316423212 /nfs/dbraw/zinc/42/32/12/1316423212.db2.gz IFNNLZUPTLJODV-IINYFYTJSA-N 1 0 349.822 2.968 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262652781 1316477441 /nfs/dbraw/zinc/47/74/41/1316477441.db2.gz PUDYGMHSSIPGLC-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001262684813 1316480403 /nfs/dbraw/zinc/48/04/03/1316480403.db2.gz GXBUFMDGXUUYOO-HNNXBMFYSA-N 1 0 341.415 2.530 20 5 EFBDRO CC[C@H](CC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263273309 1316525113 /nfs/dbraw/zinc/52/51/13/1316525113.db2.gz AARKHQXZSQCWMX-MFKMUULPSA-N 1 0 333.310 2.616 20 5 EFBDRO CC[C@@H](CC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263273307 1316525259 /nfs/dbraw/zinc/52/52/59/1316525259.db2.gz AARKHQXZSQCWMX-GWCFXTLKSA-N 1 0 333.310 2.616 20 5 EFBDRO CC(C)[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001318794485 1328702994 /nfs/dbraw/zinc/70/29/94/1328702994.db2.gz HNJXOCXMXUSKSU-QGZVFWFLSA-N 1 0 331.416 2.948 20 5 EFBDRO O=C(CCCC[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319126101 1328784840 /nfs/dbraw/zinc/78/48/40/1328784840.db2.gz AFXBXCVPLMQCEW-UHFFFAOYSA-N 1 0 331.416 2.746 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001319336544 1328856588 /nfs/dbraw/zinc/85/65/88/1328856588.db2.gz OENCFECCOPGKKL-CQSZACIVSA-N 1 0 348.447 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001319675140 1328946986 /nfs/dbraw/zinc/94/69/86/1328946986.db2.gz DFIVWEKBHAEQIF-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001320025899 1329058011 /nfs/dbraw/zinc/05/80/11/1329058011.db2.gz JGMZLRWJKJVGAP-CYBMUJFWSA-N 1 0 341.367 2.671 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320454849 1329135289 /nfs/dbraw/zinc/13/52/89/1329135289.db2.gz QVMSKNZSZUUSOD-STQMWFEESA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001321818485 1329410249 /nfs/dbraw/zinc/41/02/49/1329410249.db2.gz IVFLHNNHRKKLRG-UHFFFAOYSA-N 1 0 337.339 2.665 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001318076372 1328489361 /nfs/dbraw/zinc/48/93/61/1328489361.db2.gz ZYOZPSZZSPJNMJ-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001322405048 1329456215 /nfs/dbraw/zinc/45/62/15/1329456215.db2.gz IUWIBNKLZYYDHS-GFCCVEGCSA-N 1 0 332.429 2.640 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC001322414123 1329456922 /nfs/dbraw/zinc/45/69/22/1329456922.db2.gz AIDINKPBFOZEPE-UHFFFAOYSA-N 1 0 340.427 2.839 20 5 EFBDRO Cc1cc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)c(N)c([N+](=O)[O-])c1 ZINC001322538924 1329465745 /nfs/dbraw/zinc/46/57/45/1329465745.db2.gz XSTIMRZENZNFNA-UHFFFAOYSA-N 1 0 345.403 2.810 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC001323107006 1329512516 /nfs/dbraw/zinc/51/25/16/1329512516.db2.gz GWDBZYGHCJNARM-KBPBESRZSA-N 1 0 331.376 2.528 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001323705027 1329563217 /nfs/dbraw/zinc/56/32/17/1329563217.db2.gz KKJPAAZNVCQWBW-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001323716276 1329564384 /nfs/dbraw/zinc/56/43/84/1329564384.db2.gz XGXWBAGWXWBDMH-OAHLLOKOSA-N 1 0 348.374 2.996 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001323989716 1329589604 /nfs/dbraw/zinc/58/96/04/1329589604.db2.gz DLLUAUPETOUIOZ-ZIAGYGMSSA-N 1 0 329.404 2.566 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001324270458 1329612411 /nfs/dbraw/zinc/61/24/11/1329612411.db2.gz ANQGLFZDVYJIST-GDBMZVCRSA-N 1 0 326.400 2.968 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)CCC2 ZINC001324760097 1329656458 /nfs/dbraw/zinc/65/64/58/1329656458.db2.gz IAFBOUMVLQHSCY-HNAYVOBHSA-N 1 0 348.443 2.987 20 5 EFBDRO CC(C)c1noc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001326560904 1330317484 /nfs/dbraw/zinc/31/74/84/1330317484.db2.gz JKBRPVHEDFKPMB-QWHCGFSZSA-N 1 0 348.407 2.614 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327675033 1330507137 /nfs/dbraw/zinc/50/71/37/1330507137.db2.gz RAPWOAHBMJLWJL-NOZJJQNGSA-N 1 0 335.795 2.720 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001327945278 1330533522 /nfs/dbraw/zinc/53/35/22/1330533522.db2.gz KQGRLRYXONPMRF-AWEZNQCLSA-N 1 0 331.416 2.569 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1CC1 ZINC001328520802 1330599565 /nfs/dbraw/zinc/59/95/65/1330599565.db2.gz COQRGIUXIFWOBE-CYBMUJFWSA-N 1 0 335.795 2.944 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)c1 ZINC001329364110 1330698431 /nfs/dbraw/zinc/69/84/31/1330698431.db2.gz PSAVZAWWJCKSCR-HNNXBMFYSA-N 1 0 327.388 2.688 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001331758191 1330872677 /nfs/dbraw/zinc/87/26/77/1330872677.db2.gz GRBMWEHCNGJXPD-CYBMUJFWSA-N 1 0 332.404 2.671 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001331892130 1330886159 /nfs/dbraw/zinc/88/61/59/1330886159.db2.gz FGSDCXYTGUPSEA-CQSZACIVSA-N 1 0 348.447 2.907 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001331909559 1330889290 /nfs/dbraw/zinc/88/92/90/1330889290.db2.gz HBSVWQPZCYYDIF-NEPJUHHUSA-N 1 0 343.786 2.990 20 5 EFBDRO [NH3+]Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001332393442 1330966568 /nfs/dbraw/zinc/96/65/68/1330966568.db2.gz GSMHEAFNFFTLTQ-UHFFFAOYSA-N 1 0 340.383 2.558 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001332422050 1330969937 /nfs/dbraw/zinc/96/99/37/1330969937.db2.gz SJIREOYXDGBGSU-OLZOCXBDSA-N 1 0 336.367 2.824 20 5 EFBDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001332747128 1331015579 /nfs/dbraw/zinc/01/55/79/1331015579.db2.gz XMPGQRUCKAUVAI-IRXDYDNUSA-N 1 0 331.416 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2)cc1 ZINC001333605293 1331179642 /nfs/dbraw/zinc/17/96/42/1331179642.db2.gz KXRKYROSPXDTQZ-QAPCUYQASA-N 1 0 342.399 2.917 20 5 EFBDRO Cn1c2ccccc2c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC001333658216 1331188938 /nfs/dbraw/zinc/18/89/38/1331188938.db2.gz OCLFSPYRNCUPQS-ZFWWWQNUSA-N 1 0 344.415 2.731 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001333873797 1331231887 /nfs/dbraw/zinc/23/18/87/1331231887.db2.gz NYONFTOWYNYKIS-RNCFNFMXSA-N 1 0 329.194 2.560 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334279790 1331277353 /nfs/dbraw/zinc/27/73/53/1331277353.db2.gz URUHWPFPCNROCV-MAZHCROVSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810033 1331310182 /nfs/dbraw/zinc/31/01/82/1331310182.db2.gz XOSABPABRZCFMS-TVQRCGJNSA-N 1 0 329.194 2.560 20 5 EFBDRO COc1c(O)ccc(CNc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC001334917596 1331331588 /nfs/dbraw/zinc/33/15/88/1331331588.db2.gz MKUYKHJCSWJFPU-UHFFFAOYSA-N 1 0 331.372 2.983 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCN2CCCC[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397534 1331342959 /nfs/dbraw/zinc/34/29/59/1331342959.db2.gz OXZNFZABXFARJS-GDBMZVCRSA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1cc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC001336726013 1331496833 /nfs/dbraw/zinc/49/68/33/1331496833.db2.gz MIONJBGXQCRTSG-UHFFFAOYSA-N 1 0 341.477 2.884 20 5 EFBDRO C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001336725206 1331496904 /nfs/dbraw/zinc/49/69/04/1331496904.db2.gz CSLKFABRYHJAKR-IINYFYTJSA-N 1 0 346.353 2.660 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001336968340 1331521901 /nfs/dbraw/zinc/52/19/01/1331521901.db2.gz LJLPYDGQRASFPT-UHFFFAOYSA-N 1 0 347.415 2.535 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337540145 1331583276 /nfs/dbraw/zinc/58/32/76/1331583276.db2.gz CRUNEONNBDJZSR-UHFFFAOYSA-N 1 0 347.415 2.535 20 5 EFBDRO Cc1cc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001337970336 1331624955 /nfs/dbraw/zinc/62/49/55/1331624955.db2.gz INFLOFGMJVVEOU-UHFFFAOYSA-N 1 0 335.448 2.822 20 5 EFBDRO Cc1cc(N2CCC([NH2+]C3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC001337971728 1331625074 /nfs/dbraw/zinc/62/50/74/1331625074.db2.gz SSVZQTQKIMTKSI-UHFFFAOYSA-N 1 0 337.395 2.780 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001338020116 1331636602 /nfs/dbraw/zinc/63/66/02/1331636602.db2.gz BGGBNFFWWOODGS-AWEZNQCLSA-N 1 0 334.420 2.629 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292458 1331686192 /nfs/dbraw/zinc/68/61/92/1331686192.db2.gz BCAMABQASLBXNS-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO COc1ccc(C2=NO[C@H](CNCc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001338291057 1331686262 /nfs/dbraw/zinc/68/62/62/1331686262.db2.gz XVEAUCSJULWUIZ-INIZCTEOSA-N 1 0 341.367 2.886 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC001338295825 1331686479 /nfs/dbraw/zinc/68/64/79/1331686479.db2.gz VCWITOLZQIELMC-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC=CCC3)c2)CC1 ZINC001338334945 1331694085 /nfs/dbraw/zinc/69/40/85/1331694085.db2.gz HOOPPJJIORKQNF-CQSZACIVSA-N 1 0 344.415 2.641 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CC(C)(C)C3)c2)CC1 ZINC001338335882 1331694821 /nfs/dbraw/zinc/69/48/21/1331694821.db2.gz NEYOIJCUORAKKP-UHFFFAOYSA-N 1 0 346.431 2.721 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338823647 1331741688 /nfs/dbraw/zinc/74/16/88/1331741688.db2.gz HBNLQNSEGSBJQW-IUODEOHRSA-N 1 0 332.404 2.764 20 5 EFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC001340181734 1332149863 /nfs/dbraw/zinc/14/98/63/1332149863.db2.gz IXKUFCILVJGSIB-GFCCVEGCSA-N 1 0 339.823 2.829 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340209364 1332154482 /nfs/dbraw/zinc/15/44/82/1332154482.db2.gz KEIDNYIXAFSMDT-IRXDYDNUSA-N 1 0 346.431 2.535 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001340857909 1332213277 /nfs/dbraw/zinc/21/32/77/1332213277.db2.gz OGCDGZYLRMYEIE-CYBMUJFWSA-N 1 0 337.395 2.612 20 5 EFBDRO Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc2c[nH+]cn21 ZINC001342117719 1332306555 /nfs/dbraw/zinc/30/65/55/1332306555.db2.gz CVSCRJRBPPYOMD-UHFFFAOYSA-N 1 0 336.351 2.749 20 5 EFBDRO CSCC[C@H]([NH3+])CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001343337334 1332346002 /nfs/dbraw/zinc/34/60/02/1332346002.db2.gz SQWBBOXRZLIJBP-YPMHNXCESA-N 1 0 325.434 2.551 20 5 EFBDRO CSCC[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001343337333 1332346235 /nfs/dbraw/zinc/34/62/35/1332346235.db2.gz SQWBBOXRZLIJBP-AAEUAGOBSA-N 1 0 325.434 2.551 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC001344447695 1332453682 /nfs/dbraw/zinc/45/36/82/1332453682.db2.gz GSNBLMBPBAKEHD-XHSDSOJGSA-N 1 0 331.416 2.830 20 5 EFBDRO COc1ccc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001344747620 1332479646 /nfs/dbraw/zinc/47/96/46/1332479646.db2.gz BMIHKSCYFXCGQO-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001344876582 1332490524 /nfs/dbraw/zinc/49/05/24/1332490524.db2.gz XGRMQZZRXBDBKY-QGZVFWFLSA-N 1 0 332.404 2.853 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345604665 1332552062 /nfs/dbraw/zinc/55/20/62/1332552062.db2.gz DRJWKFYHUQQFJG-QGZVFWFLSA-N 1 0 342.395 2.613 20 5 EFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001345606482 1332552404 /nfs/dbraw/zinc/55/24/04/1332552404.db2.gz QZVSJHORNYDZDY-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO [NH3+][C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC001346046508 1332594316 /nfs/dbraw/zinc/59/43/16/1332594316.db2.gz KOAOMFJUWHDOTP-CQSZACIVSA-N 1 0 325.796 2.772 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001347891151 1332782330 /nfs/dbraw/zinc/78/23/30/1332782330.db2.gz RTPRNXKNSSYGRD-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO Nc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC001347981062 1332790379 /nfs/dbraw/zinc/79/03/79/1332790379.db2.gz JYABYZBQTXAFMF-AWEZNQCLSA-N 1 0 333.436 2.664 20 5 EFBDRO COc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001348222883 1332813715 /nfs/dbraw/zinc/81/37/15/1332813715.db2.gz IKYTWCWGWRJHOT-BZPMIXESSA-N 1 0 333.388 2.662 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001350142232 1333040118 /nfs/dbraw/zinc/04/01/18/1333040118.db2.gz CMICWHMFXLBOBY-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338492 1333066294 /nfs/dbraw/zinc/06/62/94/1333066294.db2.gz NSCLHTBUOJTGKA-UHFFFAOYSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001351387509 1333223342 /nfs/dbraw/zinc/22/33/42/1333223342.db2.gz IMXUFBGJIBCSRH-COXVUDFISA-N 1 0 331.416 2.546 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847253379 1333448399 /nfs/dbraw/zinc/44/83/99/1333448399.db2.gz CUEZUGWZERWJTD-GJGKEFFFSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847253611 1333448457 /nfs/dbraw/zinc/44/84/57/1333448457.db2.gz JLBHWGGGLKMGAL-KGLIPLIRSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000847255362 1333450631 /nfs/dbraw/zinc/45/06/31/1333450631.db2.gz KOZFYRKVVKXGNC-KBPBESRZSA-N 1 0 339.342 2.620 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000847376979 1333623044 /nfs/dbraw/zinc/62/30/44/1333623044.db2.gz AUCXPPZNZGQNRO-RRQGHBQHSA-N 1 0 346.431 2.972 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001353115625 1333935606 /nfs/dbraw/zinc/93/56/06/1333935606.db2.gz XZKHBJKHELVRMJ-RUCARUNLSA-N 1 0 339.395 2.612 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001353229993 1334033621 /nfs/dbraw/zinc/03/36/21/1334033621.db2.gz ZUVCUQACDMHUOL-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001353239028 1334041382 /nfs/dbraw/zinc/04/13/82/1334041382.db2.gz IOMXFNGZZBNJGL-ZDUSSCGKSA-N 1 0 342.399 2.656 20 5 EFBDRO CN(C)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353274477 1334059525 /nfs/dbraw/zinc/05/95/25/1334059525.db2.gz UCHQKZALFUBIOR-MSOLQXFVSA-N 1 0 347.390 2.660 20 5 EFBDRO Cc1cc(N2CC[C@]3(CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001354352316 1334246863 /nfs/dbraw/zinc/24/68/63/1334246863.db2.gz ANJJCEJZDVVILX-KRWDZBQOSA-N 1 0 327.340 2.595 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001354485463 1334326423 /nfs/dbraw/zinc/32/64/23/1334326423.db2.gz QRDKONQZRUJCIE-CYBMUJFWSA-N 1 0 329.194 2.872 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001354829487 1334544505 /nfs/dbraw/zinc/54/45/05/1334544505.db2.gz JXEWTBWBUJLJLU-YVEFUNNKSA-N 1 0 325.368 2.659 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848397178 1334706990 /nfs/dbraw/zinc/70/69/90/1334706990.db2.gz VKZHUHSRMHXGGC-XJKSGUPXSA-N 1 0 337.807 2.596 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000848480410 1334737574 /nfs/dbraw/zinc/73/75/74/1334737574.db2.gz MBRQRYBNVPBUON-UHFFFAOYSA-N 1 0 342.399 2.918 20 5 EFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483111 1334739544 /nfs/dbraw/zinc/73/95/44/1334739544.db2.gz YRQCAVSNCZNPSY-DZGCQCFKSA-N 1 0 330.388 2.651 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@@H]1C ZINC000848488999 1334745428 /nfs/dbraw/zinc/74/54/28/1334745428.db2.gz PHGVKLDCLBMCLF-SUMWQHHRSA-N 1 0 330.388 2.773 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848489509 1334746291 /nfs/dbraw/zinc/74/62/91/1334746291.db2.gz VTJLATVNIDEKBV-INIZCTEOSA-N 1 0 343.431 2.830 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491702 1334748207 /nfs/dbraw/zinc/74/82/07/1334748207.db2.gz YPOBMRKCUODVCX-KRWDZBQOSA-N 1 0 330.388 2.774 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848527779 1334776144 /nfs/dbraw/zinc/77/61/44/1334776144.db2.gz FBNQTDKEXYUFAS-FUHWJXTLSA-N 1 0 328.368 2.914 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000848550110 1334789591 /nfs/dbraw/zinc/78/95/91/1334789591.db2.gz CMECUEAMYDMTGQ-MPGHIAIKSA-N 1 0 326.352 2.666 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557094 1334794014 /nfs/dbraw/zinc/79/40/14/1334794014.db2.gz CKWVAPUUYJQZCB-BDJLRTHQSA-N 1 0 340.383 2.781 20 5 EFBDRO Cc1c(Cc2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)cccc1[N+](=O)[O-] ZINC000848623040 1334815744 /nfs/dbraw/zinc/81/57/44/1334815744.db2.gz DUEAHHFLAPIAMH-GUYCJALGSA-N 1 0 328.372 2.734 20 5 EFBDRO CC[N@H+](C)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848675138 1334835400 /nfs/dbraw/zinc/83/54/00/1334835400.db2.gz RLKCMJHZTMKZLR-SNVBAGLBSA-N 1 0 327.431 2.609 20 5 EFBDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000849001500 1335034632 /nfs/dbraw/zinc/03/46/32/1335034632.db2.gz NPKUQXKKPYGKFZ-UHFFFAOYSA-N 1 0 344.371 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC001356532411 1335049514 /nfs/dbraw/zinc/04/95/14/1335049514.db2.gz JYOZXRBDPQVXJW-HNNXBMFYSA-N 1 0 337.326 2.608 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001357313479 1335299308 /nfs/dbraw/zinc/29/93/08/1335299308.db2.gz FGVFFWOARRKWBG-ZDUSSCGKSA-N 1 0 340.811 2.532 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001357644851 1335322359 /nfs/dbraw/zinc/32/23/59/1335322359.db2.gz ZDPAPCWCJUJXLJ-SRVKXCTJSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001358143465 1335363093 /nfs/dbraw/zinc/36/30/93/1335363093.db2.gz TYLMYUPQKMWWPO-SNVBAGLBSA-N 1 0 331.397 2.793 20 5 EFBDRO COc1cccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000849100422 1335551798 /nfs/dbraw/zinc/55/17/98/1335551798.db2.gz VVITYQBVQJBDLN-UHFFFAOYSA-N 1 0 330.344 2.619 20 5 EFBDRO CCCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000211396927 1417294462 /nfs/dbraw/zinc/29/44/62/1417294462.db2.gz GWQGTQLVGMYNQA-JTQLQIEISA-N 1 0 330.182 2.813 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162386056 1418727318 /nfs/dbraw/zinc/72/73/18/1418727318.db2.gz CBXSCVLOJJWMPH-VHSXEESVSA-N 1 0 328.210 2.526 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[NH2+]CC1 ZINC000178344774 1424766064 /nfs/dbraw/zinc/76/60/64/1424766064.db2.gz LLSFBPYHOYQQMK-UHFFFAOYSA-N 1 0 343.408 2.791 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001020445757 713017274 /nfs/dbraw/zinc/01/72/74/713017274.db2.gz UNHZQPYPHIXGMR-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020474047 713049630 /nfs/dbraw/zinc/04/96/30/713049630.db2.gz LNVFOUNFBILYNU-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001020492156 713073508 /nfs/dbraw/zinc/07/35/08/713073508.db2.gz RTQBKLQZFCOVSJ-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001020544098 713126165 /nfs/dbraw/zinc/12/61/65/713126165.db2.gz IXZLNQXJFCWNJL-SHTZXODSSA-N 1 0 329.400 2.688 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020550735 713154405 /nfs/dbraw/zinc/15/44/05/713154405.db2.gz HEHBJTBGYFWBBP-SHTZXODSSA-N 1 0 343.383 2.801 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)[nH]1 ZINC001020638684 713309280 /nfs/dbraw/zinc/30/92/80/713309280.db2.gz ZFEOINQKAWWFHA-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nccc(N2CCCC2)n1 ZINC000804775908 713466633 /nfs/dbraw/zinc/46/66/33/713466633.db2.gz QQTNLPXEMPLHHV-UHFFFAOYSA-N 1 0 327.388 2.664 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC000788008948 713469415 /nfs/dbraw/zinc/46/94/15/713469415.db2.gz JFBBHNXQQQEVPR-UHFFFAOYSA-N 1 0 335.404 2.894 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892482282 717908671 /nfs/dbraw/zinc/90/86/71/717908671.db2.gz QRVDBJITFORVLV-UHFFFAOYSA-N 1 0 332.356 2.786 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000891346028 714431024 /nfs/dbraw/zinc/43/10/24/714431024.db2.gz SVJJZIUCXIXLIM-UHFFFAOYSA-N 1 0 343.387 2.567 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC001021777591 714463455 /nfs/dbraw/zinc/46/34/55/714463455.db2.gz OUXDHJSNVJAIID-IYBDPMFKSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021782090 714471979 /nfs/dbraw/zinc/47/19/79/714471979.db2.gz JDGWIFDPEBSGIM-OKILXGFUSA-N 1 0 345.424 2.636 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021815228 714512802 /nfs/dbraw/zinc/51/28/02/714512802.db2.gz IBVABXPNOWVSHL-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001021936079 714605058 /nfs/dbraw/zinc/60/50/58/714605058.db2.gz HDBREBLHSSUDFV-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022029424 714665788 /nfs/dbraw/zinc/66/57/88/714665788.db2.gz WXNPGKOAXIAOSF-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933331517 714666673 /nfs/dbraw/zinc/66/66/73/714666673.db2.gz FEHWFIHMXCKAGK-ZTFGCOKTSA-N 1 0 343.427 2.643 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC001022037638 714682154 /nfs/dbraw/zinc/68/21/54/714682154.db2.gz WDMVUTFHFUVEAP-BETUJISGSA-N 1 0 337.445 2.829 20 5 EFBDRO CC[C@@H](NC(=O)N1CCCC[C@@H]1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000891648115 714897829 /nfs/dbraw/zinc/89/78/29/714897829.db2.gz QVVMGKZPRJXYGW-HZPDHXFCSA-N 1 0 334.420 2.829 20 5 EFBDRO COCc1ccccc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892505125 718013341 /nfs/dbraw/zinc/01/33/41/718013341.db2.gz LVZMWPOAWONSKI-UHFFFAOYSA-N 1 0 332.356 2.745 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C12CCC(CC1)C2 ZINC001022288732 714969956 /nfs/dbraw/zinc/96/99/56/714969956.db2.gz JGZREPVQXLOMKH-XFROLERWSA-N 1 0 343.427 2.912 20 5 EFBDRO CCC[NH+]1CCC(N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891743387 714990985 /nfs/dbraw/zinc/99/09/85/714990985.db2.gz NUOBSXPVSFWBBR-UHFFFAOYSA-N 1 0 337.420 2.615 20 5 EFBDRO Cn1c2ccccc2c(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1=O ZINC000891774469 715008811 /nfs/dbraw/zinc/00/88/11/715008811.db2.gz BSXBSSOOODTMER-UHFFFAOYSA-N 1 0 344.415 2.733 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCC1 ZINC001022334258 715019897 /nfs/dbraw/zinc/01/98/97/715019897.db2.gz MTVWFBNIMYPJDY-OKILXGFUSA-N 1 0 335.379 2.614 20 5 EFBDRO CC[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000891810828 715032931 /nfs/dbraw/zinc/03/29/31/715032931.db2.gz XNZITJIXQNRJCP-ZDUSSCGKSA-N 1 0 344.415 2.733 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933769952 715043658 /nfs/dbraw/zinc/04/36/58/715043658.db2.gz HYVSBJJBDNLIQP-JCGIZDLHSA-N 1 0 345.443 2.889 20 5 EFBDRO CC[NH+](CC)CCOc1ccccc1CNc1c([N+](=O)[O-])cnn1C ZINC000891838607 715053660 /nfs/dbraw/zinc/05/36/60/715053660.db2.gz SGUMDRHQAXTVQP-UHFFFAOYSA-N 1 0 347.419 2.661 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891913365 715109743 /nfs/dbraw/zinc/10/97/43/715109743.db2.gz UTUNHHOVOXTWTG-UHFFFAOYSA-N 1 0 333.392 2.688 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022551148 715208770 /nfs/dbraw/zinc/20/87/70/715208770.db2.gz LNVFOUNFBILYNU-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001022567809 715218209 /nfs/dbraw/zinc/21/82/09/715218209.db2.gz DNMZBGUYICCWAF-OKILXGFUSA-N 1 0 349.456 2.973 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001022568337 715219238 /nfs/dbraw/zinc/21/92/38/715219238.db2.gz OLUJMPRKCGNYPN-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001022572007 715221282 /nfs/dbraw/zinc/22/12/82/715221282.db2.gz OGBFZAJSOYKKNY-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158504 715232164 /nfs/dbraw/zinc/23/21/64/715232164.db2.gz SPLRBZJJUKRZIN-CVEARBPZSA-N 1 0 340.383 2.794 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000934158505 715232262 /nfs/dbraw/zinc/23/22/62/715232262.db2.gz SPLRBZJJUKRZIN-HOTGVXAUSA-N 1 0 340.383 2.794 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892077938 715243837 /nfs/dbraw/zinc/24/38/37/715243837.db2.gz DNZKOTXLKGPNQJ-OAHLLOKOSA-N 1 0 329.404 2.652 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934232731 715271317 /nfs/dbraw/zinc/27/13/17/715271317.db2.gz FZFIFJVEWOMIJK-LLVKDONJSA-N 1 0 348.790 2.803 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236978 715274106 /nfs/dbraw/zinc/27/41/06/715274106.db2.gz SNSZSZRZMAXTCL-CYBMUJFWSA-N 1 0 328.372 2.539 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022656576 715276263 /nfs/dbraw/zinc/27/62/63/715276263.db2.gz HEHBJTBGYFWBBP-GASCZTMLSA-N 1 0 343.383 2.801 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022656818 715277429 /nfs/dbraw/zinc/27/74/29/715277429.db2.gz SSNHHONMMAFPRJ-GASCZTMLSA-N 1 0 343.383 2.801 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001022686972 715306925 /nfs/dbraw/zinc/30/69/25/715306925.db2.gz VIAHUJYYNJFOIO-BETUJISGSA-N 1 0 335.429 2.583 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934321538 715334950 /nfs/dbraw/zinc/33/49/50/715334950.db2.gz CWJSUANDSRBXSN-LAVFITLUSA-N 1 0 343.427 2.784 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000176680943 715569752 /nfs/dbraw/zinc/56/97/52/715569752.db2.gz WPJHTVLWBNUYGJ-UHFFFAOYSA-N 1 0 325.384 2.891 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934547723 715634116 /nfs/dbraw/zinc/63/41/16/715634116.db2.gz IDPDQXQYHYXMNT-FHLIZLRMSA-N 1 0 345.443 2.792 20 5 EFBDRO CN(CC(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000124986384 715757855 /nfs/dbraw/zinc/75/78/55/715757855.db2.gz AUAQZGIZBFVQDV-SNVBAGLBSA-N 1 0 330.793 2.591 20 5 EFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1OC)CCC(F)(F)F ZINC000893478148 715908189 /nfs/dbraw/zinc/90/81/89/715908189.db2.gz DZJWLIPLPDSXDG-UHFFFAOYSA-N 1 0 336.314 2.685 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176755199 715933680 /nfs/dbraw/zinc/93/36/80/715933680.db2.gz UOKRWYJBXXAYKV-AAEUAGOBSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000894841382 722887482 /nfs/dbraw/zinc/88/74/82/722887482.db2.gz VOSIDMJYEHQNFW-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO COc1c(O)ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000895478903 724154794 /nfs/dbraw/zinc/15/47/94/724154794.db2.gz HMQIYKFRHOTHJJ-CQSZACIVSA-N 1 0 349.431 2.521 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000892460456 717623814 /nfs/dbraw/zinc/62/38/14/717623814.db2.gz CSGXKTZYRHZSJG-AWEZNQCLSA-N 1 0 328.796 2.924 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000106469367 718059286 /nfs/dbraw/zinc/05/92/86/718059286.db2.gz YFQOCDYZLFJXOH-CQSZACIVSA-N 1 0 344.367 2.705 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000892581961 718306826 /nfs/dbraw/zinc/30/68/26/718306826.db2.gz YYDNYUUNJJOSES-JTQLQIEISA-N 1 0 348.230 2.712 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000892616030 718346146 /nfs/dbraw/zinc/34/61/46/718346146.db2.gz WVHLHRXYQTZJGV-UHFFFAOYSA-N 1 0 338.310 2.920 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000892668112 718413533 /nfs/dbraw/zinc/41/35/33/718413533.db2.gz BZOYCQKPDQCOAB-RISCZKNCSA-N 1 0 335.433 2.885 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1C ZINC000892679851 718591454 /nfs/dbraw/zinc/59/14/54/718591454.db2.gz RXEOCOBGLCZADZ-CQSZACIVSA-N 1 0 345.399 2.530 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942585 718725875 /nfs/dbraw/zinc/72/58/75/718725875.db2.gz PSRJXBGTYCEUJH-RLHTVVPMSA-N 1 0 343.427 2.782 20 5 EFBDRO CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942577 718725913 /nfs/dbraw/zinc/72/59/13/718725913.db2.gz PSRJXBGTYCEUJH-APQLCQTQSA-N 1 0 343.427 2.782 20 5 EFBDRO CC1(CC(=O)N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000981636054 718912561 /nfs/dbraw/zinc/91/25/61/718912561.db2.gz QBQAOOIPAJSXMU-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000892712955 718921164 /nfs/dbraw/zinc/92/11/64/718921164.db2.gz GAVASVVIJKDGHG-UHFFFAOYSA-N 1 0 344.367 2.988 20 5 EFBDRO C/C=C(\C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981698378 718954289 /nfs/dbraw/zinc/95/42/89/718954289.db2.gz BWESNNSPWSNFSO-CRKCGEKBSA-N 1 0 343.427 2.985 20 5 EFBDRO COCCC[NH+]1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892800715 719196718 /nfs/dbraw/zinc/19/67/18/719196718.db2.gz IHRFUWBRPBRFIB-UHFFFAOYSA-N 1 0 341.839 2.839 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634119 719222832 /nfs/dbraw/zinc/22/28/32/719222832.db2.gz FTSNKOJEEPFOIO-UONOGXRCSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H](C)C[N@@H+]1C ZINC001164633919 719244087 /nfs/dbraw/zinc/24/40/87/719244087.db2.gz LMHYIQJBACWKCH-OLZOCXBDSA-N 1 0 327.388 2.581 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164633917 719244348 /nfs/dbraw/zinc/24/43/48/719244348.db2.gz LMHYIQJBACWKCH-CHWSQXEVSA-N 1 0 327.388 2.581 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2CC2)CC1 ZINC001029924403 724575716 /nfs/dbraw/zinc/57/57/16/724575716.db2.gz NAMHYDSTVUSCNM-UHFFFAOYSA-N 1 0 331.416 2.675 20 5 EFBDRO CC(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)=C1CCC1 ZINC001025773081 719310610 /nfs/dbraw/zinc/31/06/10/719310610.db2.gz GAKFBEZUNNJEPO-PIIMJCKOSA-N 1 0 341.411 2.642 20 5 EFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000066793801 719374786 /nfs/dbraw/zinc/37/47/86/719374786.db2.gz JLTLWLGVGMTTJZ-UHFFFAOYSA-N 1 0 343.431 2.593 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000892983328 719392173 /nfs/dbraw/zinc/39/21/73/719392173.db2.gz JRFDQCHKXNFTCI-CYBMUJFWSA-N 1 0 334.376 2.671 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019976414 719413226 /nfs/dbraw/zinc/41/32/26/719413226.db2.gz KROAQBXJRRPWOL-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1Cl ZINC001020105162 719448768 /nfs/dbraw/zinc/44/87/68/719448768.db2.gz OUVUVIPWNKSANM-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000893037020 719516092 /nfs/dbraw/zinc/51/60/92/719516092.db2.gz HUZSTAQWIOBHNT-LBPRGKRZSA-N 1 0 328.796 2.781 20 5 EFBDRO CC(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982211283 719665881 /nfs/dbraw/zinc/66/58/81/719665881.db2.gz YSDSNRUZUNXJMQ-KDURUIRLSA-N 1 0 345.443 2.921 20 5 EFBDRO COc1cc(C)ccc1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893138156 719723797 /nfs/dbraw/zinc/72/37/97/719723797.db2.gz GJKOPMLYXVVHMV-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO CCOCCC1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCC1 ZINC000893167603 719909164 /nfs/dbraw/zinc/90/91/64/719909164.db2.gz LGCPCHRKPYTADV-UHFFFAOYSA-N 1 0 338.404 2.996 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1[N+](=O)[O-] ZINC000893210654 720060015 /nfs/dbraw/zinc/06/00/15/720060015.db2.gz RHAOFQKTEUGSDK-JLZZUVOBSA-N 1 0 348.399 2.746 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000893848905 720124121 /nfs/dbraw/zinc/12/41/21/720124121.db2.gz SHIQZDKXOFYELW-UHFFFAOYSA-N 1 0 334.376 2.550 20 5 EFBDRO C[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000893958351 720184431 /nfs/dbraw/zinc/18/44/31/720184431.db2.gz AQTLQRXHXSZVFS-GFCCVEGCSA-N 1 0 334.376 2.814 20 5 EFBDRO COCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000894002259 720216300 /nfs/dbraw/zinc/21/63/00/720216300.db2.gz VCJSWDMEWJQVBL-OCCSQVGLSA-N 1 0 338.404 2.946 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3OCC4)CC2)n1 ZINC000894077576 720270839 /nfs/dbraw/zinc/27/08/39/720270839.db2.gz BZSDMLZEWRDSDN-UHFFFAOYSA-N 1 0 328.372 2.563 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000893256281 720282244 /nfs/dbraw/zinc/28/22/44/720282244.db2.gz OWBHEBKKUFMRMP-OCCSQVGLSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727282 720334282 /nfs/dbraw/zinc/33/42/82/720334282.db2.gz SQISWBFUSFNCMJ-HOTGVXAUSA-N 1 0 339.399 2.546 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000841103905 720352413 /nfs/dbraw/zinc/35/24/13/720352413.db2.gz SEJGLHAJVVIDGM-ZJUUUORDSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@H](O)[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931022060 720664395 /nfs/dbraw/zinc/66/43/95/720664395.db2.gz KGMUSXXGVIPAQT-JOYOIKCWSA-N 1 0 329.194 2.703 20 5 EFBDRO C[C@@H](O)[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931022059 720664445 /nfs/dbraw/zinc/66/44/45/720664445.db2.gz KGMUSXXGVIPAQT-BXKDBHETSA-N 1 0 329.194 2.703 20 5 EFBDRO Cn1c2ccccc2c(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1=O ZINC000894143817 720907930 /nfs/dbraw/zinc/90/79/30/720907930.db2.gz YVAIILBOZMPYRD-UHFFFAOYSA-N 1 0 344.415 2.733 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000126270363 721008231 /nfs/dbraw/zinc/00/82/31/721008231.db2.gz YWNGYPISIAAHCF-AWEZNQCLSA-N 1 0 333.432 2.968 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+]1CCC(C)CC1 ZINC000067272269 721138347 /nfs/dbraw/zinc/13/83/47/721138347.db2.gz XOCAMWMNUVQWCL-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000983036297 721774326 /nfs/dbraw/zinc/77/43/26/721774326.db2.gz GTJFPHIATKOGLS-JCNLHEQBSA-N 1 0 339.395 2.893 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000983085801 721795899 /nfs/dbraw/zinc/79/58/99/721795899.db2.gz PVOYDJPBYBYKSE-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC000983097837 721806015 /nfs/dbraw/zinc/80/60/15/721806015.db2.gz QJMCGILHZILXLS-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983117827 721825539 /nfs/dbraw/zinc/82/55/39/721825539.db2.gz XDWDZOXOSPJWLV-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165040327 721932149 /nfs/dbraw/zinc/93/21/49/721932149.db2.gz AASQQDYCPVXEOL-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001165045106 721939059 /nfs/dbraw/zinc/93/90/59/721939059.db2.gz SYFJJUOCYQCWPT-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048150 721965272 /nfs/dbraw/zinc/96/52/72/721965272.db2.gz WYUGIOCLEDGMNL-LBPRGKRZSA-N 1 0 339.827 2.883 20 5 EFBDRO COc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049719 721967401 /nfs/dbraw/zinc/96/74/01/721967401.db2.gz VXKGXTCFTMLASP-AWEZNQCLSA-N 1 0 334.420 2.843 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165051544 722001031 /nfs/dbraw/zinc/00/10/31/722001031.db2.gz HKUCKGJZYLKNTD-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=CCCC1 ZINC000983461351 722648349 /nfs/dbraw/zinc/64/83/49/722648349.db2.gz LHYJPHMWNLBRKO-SAZUREKKSA-N 1 0 329.400 2.690 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000894426595 722733493 /nfs/dbraw/zinc/73/34/93/722733493.db2.gz SXZMPAKPBBBLKT-UHFFFAOYSA-N 1 0 346.836 2.695 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000894456059 722742726 /nfs/dbraw/zinc/74/27/26/722742726.db2.gz KFBYDSJDWZWWDP-OAHLLOKOSA-N 1 0 341.839 2.791 20 5 EFBDRO COCC1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCCC1 ZINC000894554581 722781352 /nfs/dbraw/zinc/78/13/52/722781352.db2.gz IUUGHELUYPLAIL-UHFFFAOYSA-N 1 0 338.404 2.996 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CO)CC(F)F ZINC000894566489 722784501 /nfs/dbraw/zinc/78/45/01/722784501.db2.gz KWBSWXCQJAVOME-SECBINFHSA-N 1 0 328.237 2.719 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894607927 722791691 /nfs/dbraw/zinc/79/16/91/722791691.db2.gz AYNCTILYXGOVSN-LCYFTJDESA-N 1 0 343.387 2.632 20 5 EFBDRO COc1c(O)ccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754625 722836917 /nfs/dbraw/zinc/83/69/17/722836917.db2.gz YVLXMCUIWBAGLJ-ZIAGYGMSSA-N 1 0 336.388 2.698 20 5 EFBDRO COc1c(O)ccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754623 722836942 /nfs/dbraw/zinc/83/69/42/722836942.db2.gz YVLXMCUIWBAGLJ-KGLIPLIRSA-N 1 0 336.388 2.698 20 5 EFBDRO COc1c(O)ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754624 722836967 /nfs/dbraw/zinc/83/69/67/722836967.db2.gz YVLXMCUIWBAGLJ-UONOGXRCSA-N 1 0 336.388 2.698 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000894843032 722889013 /nfs/dbraw/zinc/88/90/13/722889013.db2.gz HXDIAKAOVJJSKE-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO O=C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC001029186739 723025062 /nfs/dbraw/zinc/02/50/62/723025062.db2.gz XLPXRTKBVLQHBZ-HDICACEKSA-N 1 0 343.427 2.960 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000727768369 723115054 /nfs/dbraw/zinc/11/50/54/723115054.db2.gz DACHVWUCDVWSND-ZIAGYGMSSA-N 1 0 348.447 2.583 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000984619626 723183757 /nfs/dbraw/zinc/18/37/57/723183757.db2.gz FZNJWFATQKWDFM-ZUFZQKGWSA-N 1 0 343.427 2.625 20 5 EFBDRO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001029264053 723199747 /nfs/dbraw/zinc/19/97/47/723199747.db2.gz PJZVSCHUFJLGLO-BWEGZWNPSA-N 1 0 329.400 2.736 20 5 EFBDRO CCN(C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000896295218 723237592 /nfs/dbraw/zinc/23/75/92/723237592.db2.gz YYSJEPJUAQJQJU-UHFFFAOYSA-N 1 0 327.384 2.780 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896613375 723402022 /nfs/dbraw/zinc/40/20/22/723402022.db2.gz VDKCSXHKNJRGLJ-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO CCn1cnc2c1CCN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000896654942 723426083 /nfs/dbraw/zinc/42/60/83/723426083.db2.gz ROUQCYJSXAKLOF-UHFFFAOYSA-N 1 0 341.293 2.788 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000896838005 723534944 /nfs/dbraw/zinc/53/49/44/723534944.db2.gz AHVRVLOEQOXCOE-AWEZNQCLSA-N 1 0 331.338 2.754 20 5 EFBDRO C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000727079294 723791509 /nfs/dbraw/zinc/79/15/09/723791509.db2.gz YJMHJZVRDDOXMM-LBPRGKRZSA-N 1 0 338.477 2.708 20 5 EFBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000985116256 723853698 /nfs/dbraw/zinc/85/36/98/723853698.db2.gz NMPCOVFDYDEAMM-AULYBMBSSA-N 1 0 348.428 2.591 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000262413946 723869489 /nfs/dbraw/zinc/86/94/89/723869489.db2.gz QXQWUISHNVYDGT-MRXNPFEDSA-N 1 0 343.358 2.659 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2ncc(C)cc2C)c1[N+](=O)[O-] ZINC000895209202 723877013 /nfs/dbraw/zinc/87/70/13/723877013.db2.gz RKFHPESVJRLRHT-UHFFFAOYSA-N 1 0 331.372 2.653 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985206755 723987702 /nfs/dbraw/zinc/98/77/02/723987702.db2.gz OEVJPOUHRCLSGU-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985207594 723988421 /nfs/dbraw/zinc/98/84/21/723988421.db2.gz ZRSZTCLSRHIIFD-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985263247 724033448 /nfs/dbraw/zinc/03/34/48/724033448.db2.gz LILLUUGDGZOXIY-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000895383836 724095871 /nfs/dbraw/zinc/09/58/71/724095871.db2.gz MLDIDOUPOKLWEG-CYBMUJFWSA-N 1 0 348.330 2.541 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000895629258 724232409 /nfs/dbraw/zinc/23/24/09/724232409.db2.gz JTPDWHMHBOWLTQ-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895748319 724293347 /nfs/dbraw/zinc/29/33/47/724293347.db2.gz LQCRBDFDQLLIFQ-CHWSQXEVSA-N 1 0 348.321 2.633 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1C ZINC000897299458 724303454 /nfs/dbraw/zinc/30/34/54/724303454.db2.gz GNBWMGPWBPICFT-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000918571503 728893542 /nfs/dbraw/zinc/89/35/42/728893542.db2.gz BTKZXODBJMOXES-UONOGXRCSA-N 1 0 348.447 2.654 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925234405 725021627 /nfs/dbraw/zinc/02/16/27/725021627.db2.gz LEELVFDYBYIBEB-CJNGLKHVSA-N 1 0 334.420 2.782 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000929617264 725629240 /nfs/dbraw/zinc/62/92/40/725629240.db2.gz HDDYWLNDGXNRBP-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO Cc1nn(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1[N+](=O)[O-] ZINC000152038364 725915240 /nfs/dbraw/zinc/91/52/40/725915240.db2.gz PNIGFJQJLFIWOL-WMLDXEAASA-N 1 0 349.479 2.952 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914076444 726027212 /nfs/dbraw/zinc/02/72/12/726027212.db2.gz YIHBLOLHPDVJIY-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C2CCOCC2)c1[N+](=O)[O-] ZINC000897445160 726212285 /nfs/dbraw/zinc/21/22/85/726212285.db2.gz BXCSCCGTVTYYDX-UHFFFAOYSA-N 1 0 338.404 2.851 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897488061 726312994 /nfs/dbraw/zinc/31/29/94/726312994.db2.gz UZZMIAVGYGUQPN-CQSZACIVSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897488130 726313419 /nfs/dbraw/zinc/31/34/19/726313419.db2.gz WHBPYSLVLIUOKT-CQSZACIVSA-N 1 0 346.431 2.753 20 5 EFBDRO COc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000729339188 726316267 /nfs/dbraw/zinc/31/62/67/726316267.db2.gz VDJWMLBVVUQVDR-OAHLLOKOSA-N 1 0 346.387 2.645 20 5 EFBDRO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000729339423 726316293 /nfs/dbraw/zinc/31/62/93/726316293.db2.gz XPXJGPKCGOITJU-CQSZACIVSA-N 1 0 334.351 2.775 20 5 EFBDRO O=C(NCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000731452544 726871039 /nfs/dbraw/zinc/87/10/39/726871039.db2.gz COJARWCGQUKQFI-HWKANZROSA-N 1 0 343.358 2.767 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915137366 726879202 /nfs/dbraw/zinc/87/92/02/726879202.db2.gz WMKGBMYZLRIZDR-KGLIPLIRSA-N 1 0 334.420 2.685 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000915137368 726879334 /nfs/dbraw/zinc/87/93/34/726879334.db2.gz WMKGBMYZLRIZDR-ZIAGYGMSSA-N 1 0 334.420 2.685 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006155 726975187 /nfs/dbraw/zinc/97/51/87/726975187.db2.gz UAVXIVBXCIZHCF-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732578081 727163765 /nfs/dbraw/zinc/16/37/65/727163765.db2.gz DFKMYWJGPQHTJD-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC12CCCCC2 ZINC000908571569 727218187 /nfs/dbraw/zinc/21/81/87/727218187.db2.gz YBZYJJPPLHGBGA-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC12CCCCC2 ZINC000908571896 727218258 /nfs/dbraw/zinc/21/82/58/727218258.db2.gz NSGGCCRSQNEIIM-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO CNc1c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000908574294 727219198 /nfs/dbraw/zinc/21/91/98/727219198.db2.gz ZSFPEVRMYAZNQC-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000888284584 727225808 /nfs/dbraw/zinc/22/58/08/727225808.db2.gz FGKZYAORGCUYHT-UHFFFAOYSA-N 1 0 338.795 2.940 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+](C)C ZINC000888284886 727226992 /nfs/dbraw/zinc/22/69/92/727226992.db2.gz NMMIRSBZHMRGCO-UHFFFAOYSA-N 1 0 328.800 2.972 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCO1 ZINC000130435115 727259773 /nfs/dbraw/zinc/25/97/73/727259773.db2.gz SFAWGXBEEHJWST-DZGCQCFKSA-N 1 0 339.367 2.610 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910292681 727430753 /nfs/dbraw/zinc/43/07/53/727430753.db2.gz JUYCTPSUKSBBCK-OAHLLOKOSA-N 1 0 348.447 2.730 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCN2Cc2ccccc2)C1 ZINC000910789447 727463866 /nfs/dbraw/zinc/46/38/66/727463866.db2.gz BADKWJHQJXUBOD-UHFFFAOYSA-N 1 0 337.379 2.695 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000911200763 727509881 /nfs/dbraw/zinc/50/98/81/727509881.db2.gz METPGWQFWYORLW-JTQLQIEISA-N 1 0 329.759 2.554 20 5 EFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911794045 727600723 /nfs/dbraw/zinc/60/07/23/727600723.db2.gz FBWFBLYVRRUXIN-IRXDYDNUSA-N 1 0 337.379 2.983 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000916053887 727652479 /nfs/dbraw/zinc/65/24/79/727652479.db2.gz KFNLAUATAQXVOE-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652896 727732709 /nfs/dbraw/zinc/73/27/09/727732709.db2.gz LNUKFEPNKONTTK-LBPRGKRZSA-N 1 0 328.372 2.866 20 5 EFBDRO C[NH+]1CCC(CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000912653143 727732785 /nfs/dbraw/zinc/73/27/85/727732785.db2.gz NMBXSMAPAJCXIE-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO COc1c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912806446 727744743 /nfs/dbraw/zinc/74/47/43/727744743.db2.gz FMMRBBJUSBTYLY-HIFRSBDPSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000912812582 727747532 /nfs/dbraw/zinc/74/75/32/727747532.db2.gz YUZVALBWUGZDQS-YOEHRIQHSA-N 1 0 333.432 2.716 20 5 EFBDRO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912815162 727748894 /nfs/dbraw/zinc/74/88/94/727748894.db2.gz IKFIAJRRYOYVIF-XJKSGUPXSA-N 1 0 348.447 2.829 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000916973353 727751860 /nfs/dbraw/zinc/75/18/60/727751860.db2.gz ZEIMNEDBYNVSDW-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000917009502 727754380 /nfs/dbraw/zinc/75/43/80/727754380.db2.gz SXSXSBPUEXQURP-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+](C)C ZINC000917039519 727756183 /nfs/dbraw/zinc/75/61/83/727756183.db2.gz HRBBEIKLVSXDQX-OAHLLOKOSA-N 1 0 348.447 2.875 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917082694 727764737 /nfs/dbraw/zinc/76/47/37/727764737.db2.gz ZACNOAVHEZRHKC-KBPBESRZSA-N 1 0 344.415 2.526 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000917416682 727805110 /nfs/dbraw/zinc/80/51/10/727805110.db2.gz KZCVLPQRTYNQBO-HNNXBMFYSA-N 1 0 338.310 2.705 20 5 EFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913293250 727817955 /nfs/dbraw/zinc/81/79/55/727817955.db2.gz LFROBZIQNDMYAP-IYBDPMFKSA-N 1 0 337.807 2.662 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000913293147 727818009 /nfs/dbraw/zinc/81/80/09/727818009.db2.gz JNOJXVAXTXFOGP-IAGOWNOFSA-N 1 0 349.456 2.731 20 5 EFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000913390236 727827819 /nfs/dbraw/zinc/82/78/19/727827819.db2.gz NNQHXCDNEBDSLK-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)C[C@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000129618040 727955216 /nfs/dbraw/zinc/95/52/16/727955216.db2.gz JHPNQENILZZTIH-GFCCVEGCSA-N 1 0 331.372 2.659 20 5 EFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000046403908 728237112 /nfs/dbraw/zinc/23/71/12/728237112.db2.gz VWSSQGIWEICJLH-UHFFFAOYSA-N 1 0 344.371 2.582 20 5 EFBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000171460360 728535541 /nfs/dbraw/zinc/53/55/41/728535541.db2.gz NUWBNRKAEJOPAW-UHFFFAOYSA-N 1 0 348.447 2.822 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000171956419 728560361 /nfs/dbraw/zinc/56/03/61/728560361.db2.gz XHPIZJIQQWIKIW-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000173458192 728625892 /nfs/dbraw/zinc/62/58/92/728625892.db2.gz WDRXWXCBCBHQFO-NSHDSACASA-N 1 0 344.327 2.792 20 5 EFBDRO O=C1SCCN1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173435296 728626501 /nfs/dbraw/zinc/62/65/01/728626501.db2.gz BRFXDZXQSVVFLH-UHFFFAOYSA-N 1 0 337.401 2.564 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173450095 728627048 /nfs/dbraw/zinc/62/70/48/728627048.db2.gz GUYKGXUKIRHWHG-AWEZNQCLSA-N 1 0 331.420 2.566 20 5 EFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000173549455 728629276 /nfs/dbraw/zinc/62/92/76/728629276.db2.gz HUWLPHQIBQDCRJ-KRWDZBQOSA-N 1 0 343.431 2.593 20 5 EFBDRO O=C(C[N@@H+]1CCC2(CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173830363 728636597 /nfs/dbraw/zinc/63/65/97/728636597.db2.gz JIVYIJQBROHLHJ-UHFFFAOYSA-N 1 0 329.400 2.750 20 5 EFBDRO CC[NH+](CC)CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000920817681 729234081 /nfs/dbraw/zinc/23/40/81/729234081.db2.gz SZTHGPKPOMXCMB-LLVKDONJSA-N 1 0 344.795 2.901 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000238127102 729731286 /nfs/dbraw/zinc/73/12/86/729731286.db2.gz QXLXSDMNDYHHNQ-UHFFFAOYSA-N 1 0 345.424 2.939 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000873191045 1126118830 /nfs/dbraw/zinc/11/88/30/1126118830.db2.gz ONUNMNPQGRSQQS-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CC)C[NH2+]1 ZINC001573721126 1087882468 /nfs/dbraw/zinc/88/24/68/1087882468.db2.gz XJFHUIWGDRZLFM-GHMZBOCLSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](C(=O)N1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575049937 1088214025 /nfs/dbraw/zinc/21/40/25/1088214025.db2.gz VWOFWEKLVGQMEJ-MNXVOIDGSA-N 1 0 337.395 2.812 20 5 EFBDRO CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]([NH3+])c1ccccc1 ZINC001575092404 1088238177 /nfs/dbraw/zinc/23/81/77/1088238177.db2.gz KBBBBLVUKXNBHZ-KRWDZBQOSA-N 1 0 341.411 2.980 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575108274 1088246344 /nfs/dbraw/zinc/24/63/44/1088246344.db2.gz NZTFPAILUWPRGV-CQSZACIVSA-N 1 0 342.399 2.760 20 5 EFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001575115878 1088249061 /nfs/dbraw/zinc/24/90/61/1088249061.db2.gz MEMLQPWAJSDSGC-GOSISDBHSA-N 1 0 346.431 2.681 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC1(C[NH3+])CC1 ZINC001575821130 1088713020 /nfs/dbraw/zinc/71/30/20/1088713020.db2.gz RHWPSNHLRBWBRP-UHFFFAOYSA-N 1 0 337.445 2.954 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576110047 1088937571 /nfs/dbraw/zinc/93/75/71/1088937571.db2.gz XFRPRONZGGPKTG-ZWNOBZJWSA-N 1 0 325.796 2.519 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576110045 1088939565 /nfs/dbraw/zinc/93/95/65/1088939565.db2.gz XFRPRONZGGPKTG-GXFFZTMASA-N 1 0 325.796 2.519 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001576131037 1088950978 /nfs/dbraw/zinc/95/09/78/1088950978.db2.gz VDLMRRSGMIUNMX-UKRRQHHQSA-N 1 0 339.395 2.999 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576212891 1089012377 /nfs/dbraw/zinc/01/23/77/1089012377.db2.gz MDTLJYSUMGAJSC-YMRXKLBXSA-N 1 0 340.383 2.580 20 5 EFBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576239856 1089036841 /nfs/dbraw/zinc/03/68/41/1089036841.db2.gz SRUNVSZIWUTLHS-FZMZJTMJSA-N 1 0 343.387 2.580 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001576468771 1089272914 /nfs/dbraw/zinc/27/29/14/1089272914.db2.gz CUDSPJAYMKSPDD-MRXNPFEDSA-N 1 0 341.415 2.752 20 5 EFBDRO C[C@@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC001576518429 1089303846 /nfs/dbraw/zinc/30/38/46/1089303846.db2.gz ZRRSPTWJZHAMSS-CQSZACIVSA-N 1 0 345.321 2.733 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001576647584 1089376689 /nfs/dbraw/zinc/37/66/89/1089376689.db2.gz HEHBUWGOUHHRFJ-SCVCMEIPSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC001576647579 1089377069 /nfs/dbraw/zinc/37/70/69/1089377069.db2.gz HEHBUWGOUHHRFJ-FOGDFJRCSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH2+]1 ZINC001576665444 1089385530 /nfs/dbraw/zinc/38/55/30/1089385530.db2.gz GBKSJORQVGXXIT-GXTWGEPZSA-N 1 0 335.407 2.552 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001576681945 1089392228 /nfs/dbraw/zinc/39/22/28/1089392228.db2.gz QHQCDDIHYZRGJT-HALQFCHDSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC001576700037 1089402242 /nfs/dbraw/zinc/40/22/42/1089402242.db2.gz MCMLOGOOJRXDGH-ZFVVBOAOSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806895 1089469591 /nfs/dbraw/zinc/46/95/91/1089469591.db2.gz KSHDHNUEZJQRPR-DTWKUNHWSA-N 1 0 348.266 2.836 20 5 EFBDRO CC[C@@]1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC001577198597 1089736869 /nfs/dbraw/zinc/73/68/69/1089736869.db2.gz QDISGNLEDYOGDQ-CQSZACIVSA-N 1 0 345.321 2.620 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001577303654 1089811218 /nfs/dbraw/zinc/81/12/18/1089811218.db2.gz FACNIEQSAADHGQ-OFQRWUPVSA-N 1 0 335.429 2.557 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001577384215 1089896763 /nfs/dbraw/zinc/89/67/63/1089896763.db2.gz WRXRWQVANQMDPS-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001577476234 1089994628 /nfs/dbraw/zinc/99/46/28/1089994628.db2.gz ZGNMEWMGLVBHPE-AWEZNQCLSA-N 1 0 337.445 2.954 20 5 EFBDRO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577636843 1090094935 /nfs/dbraw/zinc/09/49/35/1090094935.db2.gz OFBKTWSLLWUWTB-ZDUSSCGKSA-N 1 0 334.420 2.748 20 5 EFBDRO CC[NH2+]C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001577814181 1090193895 /nfs/dbraw/zinc/19/38/95/1090193895.db2.gz QQIXYPFNDZJRPZ-UHFFFAOYSA-N 1 0 331.416 2.617 20 5 EFBDRO CC[NH2+]CCn1c(C(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001577860714 1090200867 /nfs/dbraw/zinc/20/08/67/1090200867.db2.gz CEKZEWNGXNYQEW-UHFFFAOYSA-N 1 0 346.435 2.556 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](C[NH2+]C)C2)cc1C ZINC001578056762 1090239784 /nfs/dbraw/zinc/23/97/84/1090239784.db2.gz WBOCTRFZSYGODG-CYBMUJFWSA-N 1 0 335.404 2.516 20 5 EFBDRO CCOc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC001578174683 1090290771 /nfs/dbraw/zinc/29/07/71/1090290771.db2.gz ZVBIYECNORGRGJ-UHFFFAOYSA-N 1 0 327.340 2.849 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001578275712 1090327878 /nfs/dbraw/zinc/32/78/78/1090327878.db2.gz WIWKZGBNZWBQOB-OAHLLOKOSA-N 1 0 331.347 2.726 20 5 EFBDRO C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001578609374 1090409539 /nfs/dbraw/zinc/40/95/39/1090409539.db2.gz RIZKMZCEPZJAHU-UHFFFAOYSA-N 1 0 330.363 2.984 20 5 EFBDRO C[NH2+]CC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001578617851 1090411396 /nfs/dbraw/zinc/41/13/96/1090411396.db2.gz NNVYLXAPARLDKJ-UHFFFAOYSA-N 1 0 348.428 2.927 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001578863352 1090456786 /nfs/dbraw/zinc/45/67/86/1090456786.db2.gz ATAXNCRJCFQKJU-NXEZZACHSA-N 1 0 341.795 2.692 20 5 EFBDRO COc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)cc1[N+](=O)[O-] ZINC001579160249 1090530730 /nfs/dbraw/zinc/53/07/30/1090530730.db2.gz NFAPLUFVBJMNGE-OAHLLOKOSA-N 1 0 325.796 2.837 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001579181101 1090537137 /nfs/dbraw/zinc/53/71/37/1090537137.db2.gz XWKRZUFPMPRTQY-CZUORRHYSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)cc1[N+](=O)[O-] ZINC001579188318 1090539337 /nfs/dbraw/zinc/53/93/37/1090539337.db2.gz FBRNNCGPROMUAB-CQSZACIVSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc(NC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001579229299 1090552151 /nfs/dbraw/zinc/55/21/51/1090552151.db2.gz UJEYBTBESYFRSQ-LBPRGKRZSA-N 1 0 348.403 2.599 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])CCc2ccccc21 ZINC001579242413 1090557491 /nfs/dbraw/zinc/55/74/91/1090557491.db2.gz MMHYUWOUINACET-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)c1 ZINC001579242669 1090557868 /nfs/dbraw/zinc/55/78/68/1090557868.db2.gz WZJNATKNXGRLHT-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001579241730 1090558074 /nfs/dbraw/zinc/55/80/74/1090558074.db2.gz FQXGIRVXHNOQBG-CZUORRHYSA-N 1 0 347.415 2.598 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC001579393457 1090604504 /nfs/dbraw/zinc/60/45/04/1090604504.db2.gz VXUFBXNHNRMVJN-ZDUSSCGKSA-N 1 0 337.445 2.954 20 5 EFBDRO CSc1cccc(C(=O)N2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC001579392907 1090604535 /nfs/dbraw/zinc/60/45/35/1090604535.db2.gz GCURKTXADUBXIO-SJCJKPOMSA-N 1 0 349.456 2.908 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC[C@]12CCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001579410774 1090608001 /nfs/dbraw/zinc/60/80/01/1090608001.db2.gz ITSUBIJGHAWSAZ-RDTXWAMCSA-N 1 0 346.431 2.974 20 5 EFBDRO C[C@@H](NC(=O)NCc1ccccc1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001579411087 1090608152 /nfs/dbraw/zinc/60/81/52/1090608152.db2.gz HXBPABKJIQURFV-GFCCVEGCSA-N 1 0 328.372 2.614 20 5 EFBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001579504733 1090623988 /nfs/dbraw/zinc/62/39/88/1090623988.db2.gz PKDCNFPOIWGGQP-WBMJQRKESA-N 1 0 341.367 2.867 20 5 EFBDRO Cc1c(CNC(=O)NCc2ccc(C[NH3+])cc2F)cccc1[N+](=O)[O-] ZINC001579534668 1090628892 /nfs/dbraw/zinc/62/88/92/1090628892.db2.gz OSHYDIPOWXGVBY-UHFFFAOYSA-N 1 0 346.362 2.500 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001579537543 1090629658 /nfs/dbraw/zinc/62/96/58/1090629658.db2.gz WQDCIDJSPSJXKO-LBPRGKRZSA-N 1 0 343.358 2.820 20 5 EFBDRO Cc1c(NC(=O)CCN2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579539772 1090629974 /nfs/dbraw/zinc/62/99/74/1090629974.db2.gz LOOYOEIPTXVOIU-YUELXQCFSA-N 1 0 348.447 2.680 20 5 EFBDRO Cc1c(NC(=O)CCN2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579539770 1090630295 /nfs/dbraw/zinc/63/02/95/1090630295.db2.gz LOOYOEIPTXVOIU-QEJZJMRPSA-N 1 0 348.447 2.680 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001579577119 1090637091 /nfs/dbraw/zinc/63/70/91/1090637091.db2.gz IFKVLLGKOWGQOL-UKPHBRMFSA-N 1 0 347.415 2.697 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001579577117 1090637162 /nfs/dbraw/zinc/63/71/62/1090637162.db2.gz IFKVLLGKOWGQOL-FRFSOERESA-N 1 0 347.415 2.697 20 5 EFBDRO Cc1cc(C[NH3+])cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001579594361 1090639500 /nfs/dbraw/zinc/63/95/00/1090639500.db2.gz XLSKFNODUJMOOK-UHFFFAOYSA-N 1 0 328.372 2.803 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001579605105 1090641182 /nfs/dbraw/zinc/64/11/82/1090641182.db2.gz JWXHKWIDQLWKQI-UHFFFAOYSA-N 1 0 337.807 2.915 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001579605436 1090641208 /nfs/dbraw/zinc/64/12/08/1090641208.db2.gz RAXHYOOHAUKXQE-HNNXBMFYSA-N 1 0 325.796 2.676 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001579605437 1090641299 /nfs/dbraw/zinc/64/12/99/1090641299.db2.gz RAXHYOOHAUKXQE-OAHLLOKOSA-N 1 0 325.796 2.676 20 5 EFBDRO Cc1cc(N)cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC001579619846 1090644573 /nfs/dbraw/zinc/64/45/73/1090644573.db2.gz FQDGZILMEVAYSF-UHFFFAOYSA-N 1 0 341.415 2.639 20 5 EFBDRO Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001579625850 1090646162 /nfs/dbraw/zinc/64/61/62/1090646162.db2.gz CEXYAKWHWSJAOT-CYBMUJFWSA-N 1 0 342.399 2.592 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1Cl ZINC001579642342 1090648681 /nfs/dbraw/zinc/64/86/81/1090648681.db2.gz AXBWYLJXJVEIRE-IPURGOFSSA-N 1 0 325.796 2.673 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH3+])CCc2ccccc21 ZINC001579642392 1090648888 /nfs/dbraw/zinc/64/88/88/1090648888.db2.gz DEARYVLVGAJFBZ-AWEZNQCLSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(S(=O)(=O)Oc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])s1 ZINC001579641269 1090648942 /nfs/dbraw/zinc/64/89/42/1090648942.db2.gz PNOSHIWQHPGGLP-VIFPVBQESA-N 1 0 342.398 2.752 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[NH2+]CCC13CCC3)CC2 ZINC001579643884 1090649589 /nfs/dbraw/zinc/64/95/89/1090649589.db2.gz UPJKZTPLWYYMDF-CQSZACIVSA-N 1 0 329.400 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC001579642846 1090649807 /nfs/dbraw/zinc/64/98/07/1090649807.db2.gz YSVMGGMNGWNIGF-LLVKDONJSA-N 1 0 325.796 2.758 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1Cl ZINC001579642853 1090649930 /nfs/dbraw/zinc/64/99/30/1090649930.db2.gz ZAUJBDHQYVAEBU-BDJLRTHQSA-N 1 0 337.807 2.900 20 5 EFBDRO [NH3+][C@@H](CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001580128680 1090783690 /nfs/dbraw/zinc/78/36/90/1090783690.db2.gz YVZIRMHKLQSSSA-AWEZNQCLSA-N 1 0 339.355 2.890 20 5 EFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001580169014 1090798228 /nfs/dbraw/zinc/79/82/28/1090798228.db2.gz AFZHXIQBAUWDOY-GDPRMGEGSA-N 1 0 343.305 2.565 20 5 EFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001580170614 1090798768 /nfs/dbraw/zinc/79/87/68/1090798768.db2.gz WTISGUFCYLIWNI-AEJSXWLSSA-N 1 0 333.779 2.507 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580206418 1090809715 /nfs/dbraw/zinc/80/97/15/1090809715.db2.gz GEOKIYGXOKNSPR-LLVKDONJSA-N 1 0 331.759 2.778 20 5 EFBDRO [NH3+]C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001580215361 1090814410 /nfs/dbraw/zinc/81/44/10/1090814410.db2.gz ICDBLPKNNVOGMY-QGZVFWFLSA-N 1 0 333.432 2.799 20 5 EFBDRO [NH3+]C[C@@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC001580264805 1090840705 /nfs/dbraw/zinc/84/07/05/1090840705.db2.gz WMGXRGGAIBEHOQ-ZDUSSCGKSA-N 1 0 343.358 2.756 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001580314518 1090860520 /nfs/dbraw/zinc/86/05/20/1090860520.db2.gz REFKGQUBAIBGBZ-UHFFFAOYSA-N 1 0 332.335 2.557 20 5 EFBDRO Nc1c(C(=O)Nc2ccccc2C[NH3+])cc(Cl)c(F)c1[N+](=O)[O-] ZINC001580348401 1090872902 /nfs/dbraw/zinc/87/29/02/1090872902.db2.gz VWJFVNVVUCZDRK-UHFFFAOYSA-N 1 0 338.726 2.681 20 5 EFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580404564 1090890193 /nfs/dbraw/zinc/89/01/93/1090890193.db2.gz DBMGEBBQLCYVDB-RHSMWYFYSA-N 1 0 337.335 2.696 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001580441991 1090900404 /nfs/dbraw/zinc/90/04/04/1090900404.db2.gz XZTQYHPNQDXNHW-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO Nc1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001580462585 1090908995 /nfs/dbraw/zinc/90/89/95/1090908995.db2.gz LOGBQJSEEXLJJU-UHFFFAOYSA-N 1 0 340.261 2.521 20 5 EFBDRO O=C(N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001580581320 1090957214 /nfs/dbraw/zinc/95/72/14/1090957214.db2.gz HTBVLINRYRQASQ-FUHWJXTLSA-N 1 0 329.400 2.618 20 5 EFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001580655448 1090978061 /nfs/dbraw/zinc/97/80/61/1090978061.db2.gz XWBPUFYWZZTAQE-LURJTMIESA-N 1 0 336.150 2.523 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001580766999 1091001811 /nfs/dbraw/zinc/00/18/11/1091001811.db2.gz QGPFONMTOJUJSX-INIZCTEOSA-N 1 0 336.367 2.731 20 5 EFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001580810512 1091016922 /nfs/dbraw/zinc/01/69/22/1091016922.db2.gz YJSVLALCZYQFIC-GOSISDBHSA-N 1 0 342.399 2.682 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001580821945 1091021031 /nfs/dbraw/zinc/02/10/31/1091021031.db2.gz JVDUIQKUEWSUFP-BLLLJJGKSA-N 1 0 335.379 2.728 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001580821946 1091021050 /nfs/dbraw/zinc/02/10/50/1091021050.db2.gz JVDUIQKUEWSUFP-LRDDRELGSA-N 1 0 335.379 2.728 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC001580874863 1091030886 /nfs/dbraw/zinc/03/08/86/1091030886.db2.gz MMCVVVWEABDUHR-LLVKDONJSA-N 1 0 339.264 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001580874960 1091031156 /nfs/dbraw/zinc/03/11/56/1091031156.db2.gz QRIWKARRNOIMDB-QMTHXVAHSA-N 1 0 329.322 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NCc3cccc4c3CC[NH2+]C4)c2c1 ZINC001580875389 1091031224 /nfs/dbraw/zinc/03/12/24/1091031224.db2.gz JJEVNXSSSANFTI-UHFFFAOYSA-N 1 0 335.367 2.796 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001580875053 1091031457 /nfs/dbraw/zinc/03/14/57/1091031457.db2.gz WBSRHISAYNGLGF-IAGOWNOFSA-N 1 0 329.375 2.969 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626574 1093146154 /nfs/dbraw/zinc/14/61/54/1093146154.db2.gz NTWSJUPAIPBYAE-UHFFFAOYSA-N 1 0 335.404 2.866 20 5 EFBDRO C[C@H]([NH2+]Cc1csc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589972975 1093204471 /nfs/dbraw/zinc/20/44/71/1093204471.db2.gz VRSDASSHFGFVRR-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC12CCC2 ZINC001590272553 1093354548 /nfs/dbraw/zinc/35/45/48/1093354548.db2.gz QMRBBYCDBVTBLG-GFCCVEGCSA-N 1 0 342.403 2.787 20 5 EFBDRO CCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590490470 1093452198 /nfs/dbraw/zinc/45/21/98/1093452198.db2.gz ZHJNVKROFQQYSV-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590510185 1093465017 /nfs/dbraw/zinc/46/50/17/1093465017.db2.gz FNNRTRHLHASGDR-FZMZJTMJSA-N 1 0 330.392 2.833 20 5 EFBDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590571200 1093496077 /nfs/dbraw/zinc/49/60/77/1093496077.db2.gz XWBFZJIGPXEZQF-GFCCVEGCSA-N 1 0 330.392 2.787 20 5 EFBDRO CCC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590571201 1093496102 /nfs/dbraw/zinc/49/61/02/1093496102.db2.gz XWBFZJIGPXEZQF-LBPRGKRZSA-N 1 0 330.392 2.787 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590686780 1093548498 /nfs/dbraw/zinc/54/84/98/1093548498.db2.gz JUFVWOCNJDWHRH-GFCCVEGCSA-N 1 0 347.423 2.616 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590687848 1093550991 /nfs/dbraw/zinc/55/09/91/1093550991.db2.gz RJDZHBPOUOCBKG-GFCCVEGCSA-N 1 0 347.423 2.697 20 5 EFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590857716 1093603499 /nfs/dbraw/zinc/60/34/99/1093603499.db2.gz GDDGLVVBDUHHPV-VXGBXAGGSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591777532 1093856632 /nfs/dbraw/zinc/85/66/32/1093856632.db2.gz QBRHAMYUCHRKBB-ZBEGNZNMSA-N 1 0 328.376 2.539 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC001592165315 1094010600 /nfs/dbraw/zinc/01/06/00/1094010600.db2.gz KEDQHBCRILANLU-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001593467402 1094311968 /nfs/dbraw/zinc/31/19/68/1094311968.db2.gz PVNUIHAVZMCBKJ-BXUZGUMPSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC001593481744 1094326962 /nfs/dbraw/zinc/32/69/62/1094326962.db2.gz JYUIOKCNTIYVTD-AWEZNQCLSA-N 1 0 328.376 2.539 20 5 EFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218393198 1094455398 /nfs/dbraw/zinc/45/53/98/1094455398.db2.gz SXCYKMDFMYGJLM-CPCISQLKSA-N 1 0 327.178 2.585 20 5 EFBDRO Cc1nc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218397522 1094481498 /nfs/dbraw/zinc/48/14/98/1094481498.db2.gz FAJAXFSFHATKLJ-VXNVDRBHSA-N 1 0 330.182 2.580 20 5 EFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218423655 1094639288 /nfs/dbraw/zinc/63/92/88/1094639288.db2.gz LVXYZENGAVPDQC-OIBJUYFYSA-N 1 0 333.157 2.873 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCc1c(CO)cnc(C)c1O ZINC001167820352 1095133311 /nfs/dbraw/zinc/13/33/11/1095133311.db2.gz SHKCLAVURGPGAH-UHFFFAOYSA-O 1 0 330.452 2.796 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217970697 1095158434 /nfs/dbraw/zinc/15/84/34/1095158434.db2.gz BNROEZPXVODBFH-CABZTGNLSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217976254 1095200132 /nfs/dbraw/zinc/20/01/32/1095200132.db2.gz KVAGVMARZBYUNH-SKDRFNHKSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1Br ZINC001217980746 1095214756 /nfs/dbraw/zinc/21/47/56/1095214756.db2.gz MTKNZTPTDYUXEB-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(NCC[NH+]3CCSCC3)nn2)c1 ZINC001167834635 1095303012 /nfs/dbraw/zinc/30/30/12/1095303012.db2.gz LZDRTFWAGLUSLL-UHFFFAOYSA-N 1 0 345.428 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1Br ZINC001218119137 1095631460 /nfs/dbraw/zinc/63/14/60/1095631460.db2.gz QXYIOFNCBMYJPQ-CHWSQXEVSA-N 1 0 327.178 2.878 20 5 EFBDRO C[C@@H](C1CC1)[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001603435832 1096527641 /nfs/dbraw/zinc/52/76/41/1096527641.db2.gz CKRPZHGEFRXASX-JTQLQIEISA-N 1 0 328.376 2.538 20 5 EFBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C2)C1 ZINC001603880080 1096654151 /nfs/dbraw/zinc/65/41/51/1096654151.db2.gz DQHFHPDLBUPIBT-SJCJKPOMSA-N 1 0 342.403 2.787 20 5 EFBDRO CC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001604063236 1096716589 /nfs/dbraw/zinc/71/65/89/1096716589.db2.gz XCFXAYLMSDCZRY-OLZOCXBDSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604103223 1096738863 /nfs/dbraw/zinc/73/88/63/1096738863.db2.gz RZHRPCLAUPKQBS-CQSZACIVSA-N 1 0 330.392 2.930 20 5 EFBDRO CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001604144848 1096751318 /nfs/dbraw/zinc/75/13/18/1096751318.db2.gz MWLIHDXPXKPIJS-AWEZNQCLSA-N 1 0 330.392 2.833 20 5 EFBDRO C[N@@H+]1CCC2(CN(C(=O)c3ccnc4c3ccc3cccnc34)C2)C1 ZINC001269224370 1097959371 /nfs/dbraw/zinc/95/93/71/1097959371.db2.gz HLBMFCMTYXPVLG-UHFFFAOYSA-N 1 0 332.407 2.561 20 5 EFBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609090705 1098139712 /nfs/dbraw/zinc/13/97/12/1098139712.db2.gz CIISHWRDCKZVOV-CQSZACIVSA-N 1 0 330.392 2.785 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609093980 1098140986 /nfs/dbraw/zinc/14/09/86/1098140986.db2.gz ZGRZKYQPISXCSA-GFCCVEGCSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609153920 1098171402 /nfs/dbraw/zinc/17/14/02/1098171402.db2.gz FWBJFHFMMJIQOO-IJLUTSLNSA-N 1 0 330.392 2.641 20 5 EFBDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3cccnc3c3ncccc13)C2 ZINC001269518358 1098210896 /nfs/dbraw/zinc/21/08/96/1098210896.db2.gz VXPJXPPQXVKIJV-HIFRSBDPSA-N 1 0 332.407 2.559 20 5 EFBDRO Cc1c(F)cnc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001167982599 1099413441 /nfs/dbraw/zinc/41/34/41/1099413441.db2.gz GSHYLWOXCPYMLD-UHFFFAOYSA-N 1 0 330.319 2.588 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000839287272 1099734727 /nfs/dbraw/zinc/73/47/27/1099734727.db2.gz ILBBTCRASRKVMQ-FZMZJTMJSA-N 1 0 339.823 2.969 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000049075963 1100624363 /nfs/dbraw/zinc/62/43/63/1100624363.db2.gz DECAQVRKAHDLBI-JTQLQIEISA-N 1 0 339.193 2.732 20 5 EFBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167378236 1101316957 /nfs/dbraw/zinc/31/69/57/1101316957.db2.gz IVHFKWGJTMKZNX-UHFFFAOYSA-N 1 0 345.374 2.777 20 5 EFBDRO [NH3+]CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000070188116 1101767372 /nfs/dbraw/zinc/76/73/72/1101767372.db2.gz BRSFRCGALRASEH-UHFFFAOYSA-N 1 0 342.237 2.918 20 5 EFBDRO C[NH2+]Cc1cn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167123235 1101801455 /nfs/dbraw/zinc/80/14/55/1101801455.db2.gz IMLOZZZUWPOBIV-UHFFFAOYSA-N 1 0 346.774 2.853 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)n1 ZINC001167208731 1102055727 /nfs/dbraw/zinc/05/57/27/1102055727.db2.gz YKEGTQXPAMJKAE-APWZRJJASA-N 1 0 338.411 2.584 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840880195 1102213407 /nfs/dbraw/zinc/21/34/07/1102213407.db2.gz JFVPKDVLFNWKHK-BXUZGUMPSA-N 1 0 333.363 2.743 20 5 EFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001167273220 1102216549 /nfs/dbraw/zinc/21/65/49/1102216549.db2.gz XSLLDTGVPCJXTR-AWEZNQCLSA-N 1 0 328.372 2.685 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(C)C ZINC000840882059 1102264329 /nfs/dbraw/zinc/26/43/29/1102264329.db2.gz LTBDRYQTGHKLPN-QZTJIDSGSA-N 1 0 335.448 2.949 20 5 EFBDRO C[C@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000588432141 1102380744 /nfs/dbraw/zinc/38/07/44/1102380744.db2.gz XOANHRNYWSIVMQ-YYRKOSNBSA-N 1 0 331.416 2.989 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167371400 1102909101 /nfs/dbraw/zinc/90/91/01/1102909101.db2.gz YJMBMBUMNPOMLL-UHFFFAOYSA-N 1 0 327.384 2.638 20 5 EFBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc(F)cc(F)c2[N+](=O)[O-])COC1 ZINC001167374690 1102916122 /nfs/dbraw/zinc/91/61/22/1102916122.db2.gz RXUUTSHDZCJBAA-UHFFFAOYSA-N 1 0 349.337 2.607 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162577 1103155605 /nfs/dbraw/zinc/15/56/05/1103155605.db2.gz WCXBCNRUYZBWTG-QMMMGPOBSA-N 1 0 345.197 2.606 20 5 EFBDRO C[C@@H]1Cc2cc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000905565946 1103333693 /nfs/dbraw/zinc/33/36/93/1103333693.db2.gz UGHSUXGQSLMKAF-PXAZEXFGSA-N 1 0 328.368 2.741 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COc1cccc(N2CC[NH2+]CC2)c1 ZINC000905614134 1103416771 /nfs/dbraw/zinc/41/67/71/1103416771.db2.gz PWZIYQWKOGOSPT-UHFFFAOYSA-N 1 0 343.383 2.592 20 5 EFBDRO CC(C)[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000905803270 1103620714 /nfs/dbraw/zinc/62/07/14/1103620714.db2.gz DJBNQXLFLBIFMZ-UHFFFAOYSA-N 1 0 343.309 2.751 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000905986397 1103795230 /nfs/dbraw/zinc/79/52/30/1103795230.db2.gz XZUHGABWDNWNAT-ZWNONLRRSA-N 1 0 331.416 2.638 20 5 EFBDRO CC1(Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)CC[NH2+]CC1 ZINC001168185516 1104315452 /nfs/dbraw/zinc/31/54/52/1104315452.db2.gz HLZKZHGEQAKKDR-UHFFFAOYSA-N 1 0 329.360 2.731 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1cc(C[NH3+])cn1 ZINC001168258275 1104608135 /nfs/dbraw/zinc/60/81/35/1104608135.db2.gz LPTJKBANHWGUTF-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000897557911 1105728294 /nfs/dbraw/zinc/72/82/94/1105728294.db2.gz SRTOWKDSELIWNN-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000897852095 1106118449 /nfs/dbraw/zinc/11/84/49/1106118449.db2.gz IXZYRWCPNYRILO-SFHVURJKSA-N 1 0 331.416 2.770 20 5 EFBDRO COc1cc(CN2CCC([NH2+]C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000897981974 1106184885 /nfs/dbraw/zinc/18/48/85/1106184885.db2.gz SYXBJLZAUIGDJU-UHFFFAOYSA-N 1 0 349.431 2.719 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989655757 1106524872 /nfs/dbraw/zinc/52/48/72/1106524872.db2.gz FRSBJIVLOQIUOD-UHFFFAOYSA-N 1 0 342.399 2.579 20 5 EFBDRO O=C(C1CCCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989849099 1106712207 /nfs/dbraw/zinc/71/22/07/1106712207.db2.gz BBRMFROTNMWHAD-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(CCC1CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990357133 1107658190 /nfs/dbraw/zinc/65/81/90/1107658190.db2.gz MTNBMKDQFFAKSX-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000904457108 1107951923 /nfs/dbraw/zinc/95/19/23/1107951923.db2.gz OLMOZZPHKDVNPC-UHFFFAOYSA-N 1 0 330.388 2.733 20 5 EFBDRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842173941 1109099933 /nfs/dbraw/zinc/09/99/33/1109099933.db2.gz ZCKYAOSNHWSJCD-LLVKDONJSA-N 1 0 343.811 2.934 20 5 EFBDRO COC(=O)c1ccc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC000899318790 1109287134 /nfs/dbraw/zinc/28/71/34/1109287134.db2.gz BTAGYRXOJSMLFO-OAHLLOKOSA-N 1 0 326.352 2.864 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000843806942 1109448229 /nfs/dbraw/zinc/44/82/29/1109448229.db2.gz SEAPINQSBJELEP-CQSZACIVSA-N 1 0 349.406 2.990 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843808305 1109449158 /nfs/dbraw/zinc/44/91/58/1109449158.db2.gz FGSUQVQPXRRWPH-ZDUSSCGKSA-N 1 0 337.395 2.846 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843810585 1109450099 /nfs/dbraw/zinc/45/00/99/1109450099.db2.gz YJHUBEORGDKKKU-CYBMUJFWSA-N 1 0 337.395 2.846 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159501537 1109672230 /nfs/dbraw/zinc/67/22/30/1109672230.db2.gz DYMRMYBKSTUUFV-GXSJLCMTSA-N 1 0 328.210 2.669 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C[N@H+](C)C(C)C ZINC001106779063 1111826210 /nfs/dbraw/zinc/82/62/10/1111826210.db2.gz UBBQIIMSGBSZAU-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001106926289 1118604606 /nfs/dbraw/zinc/60/46/06/1118604606.db2.gz DDLAZATYBJYHDL-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050164175 214048008 /nfs/dbraw/zinc/04/80/08/214048008.db2.gz ITHLOUZKIIEIGK-DTWKUNHWSA-N 1 0 329.198 2.552 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC([NH+]2CCCCC2)CC1 ZINC000052005931 214112621 /nfs/dbraw/zinc/11/26/21/214112621.db2.gz NJZWHYVAEVHSHP-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Br)CCC1 ZINC000097934380 219059478 /nfs/dbraw/zinc/05/94/78/219059478.db2.gz PUHWWAIHTNANQW-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000174343301 529599801 /nfs/dbraw/zinc/59/98/01/529599801.db2.gz UNWIYEUXLKGIJP-CQSZACIVSA-N 1 0 333.432 2.961 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000174343313 529600129 /nfs/dbraw/zinc/60/01/29/529600129.db2.gz UNWIYEUXLKGIJP-AWEZNQCLSA-N 1 0 333.432 2.961 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000154415408 529773052 /nfs/dbraw/zinc/77/30/52/529773052.db2.gz MNEMMWJNXVWQHO-KRWDZBQOSA-N 1 0 333.432 2.579 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178409939 529926055 /nfs/dbraw/zinc/92/60/55/529926055.db2.gz TWWJLNBDFYFHHV-DEOSSOPVSA-N 1 0 348.424 2.843 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc([S@](C)=O)cc1 ZINC000178410633 529926457 /nfs/dbraw/zinc/92/64/57/529926457.db2.gz LAEDZHVEYUROLA-DEOSSOPVSA-N 1 0 348.424 2.843 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000178414511 529928235 /nfs/dbraw/zinc/92/82/35/529928235.db2.gz DATOTAXVGSWXMB-DEOSSOPVSA-N 1 0 348.424 2.843 20 5 EFBDRO C[N@H+](CCc1ccncc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000179680567 529937562 /nfs/dbraw/zinc/93/75/62/529937562.db2.gz YGCOGUOYCPHPAQ-UHFFFAOYSA-N 1 0 329.356 2.531 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000154775816 530063971 /nfs/dbraw/zinc/06/39/71/530063971.db2.gz KIOFMOMCWWCSBB-FHQWLQQXSA-N 1 0 329.400 2.551 20 5 EFBDRO C[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181809503 530050217 /nfs/dbraw/zinc/05/02/17/530050217.db2.gz DIQIYDBOJJQVNG-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160331431 530053502 /nfs/dbraw/zinc/05/35/02/530053502.db2.gz GDYWRFOUEIDWEF-UHFFFAOYSA-N 1 0 346.309 2.783 20 5 EFBDRO COc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000101653502 219151327 /nfs/dbraw/zinc/15/13/27/219151327.db2.gz HKLGLFHSILZLSM-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000066126620 215015871 /nfs/dbraw/zinc/01/58/71/215015871.db2.gz UGWJVHNTELRPQU-GFCCVEGCSA-N 1 0 325.434 2.533 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000044537807 213631743 /nfs/dbraw/zinc/63/17/43/213631743.db2.gz RSPSDKRGARGFLM-VIFPVBQESA-N 1 0 329.198 2.506 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413153 233005358 /nfs/dbraw/zinc/00/53/58/233005358.db2.gz MUEXEDRNIWUBNH-NWDGAFQWSA-N 1 0 337.420 2.947 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000179534518 233142542 /nfs/dbraw/zinc/14/25/42/233142542.db2.gz HBXZGZOXKDDWFH-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179650795 233274591 /nfs/dbraw/zinc/27/45/91/233274591.db2.gz QDCGDEGOHBYJGL-UHFFFAOYSA-N 1 0 343.387 2.946 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000103596185 219316183 /nfs/dbraw/zinc/31/61/83/219316183.db2.gz NOPCAOBKBAYOHA-UHFFFAOYSA-N 1 0 334.420 2.609 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000068450364 215309713 /nfs/dbraw/zinc/30/97/13/215309713.db2.gz RUOVNVAOELNRBD-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000370202165 282734818 /nfs/dbraw/zinc/73/48/18/282734818.db2.gz AHGZRJAFICMFDF-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180696883 233958608 /nfs/dbraw/zinc/95/86/08/233958608.db2.gz BQUYZRYATJIBDD-CHWSQXEVSA-N 1 0 348.447 2.663 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181463315 234194367 /nfs/dbraw/zinc/19/43/67/234194367.db2.gz DBEGVPDVDWGQKP-UHFFFAOYSA-N 1 0 331.372 2.552 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000181773222 234318006 /nfs/dbraw/zinc/31/80/06/234318006.db2.gz VNZRCTDCUXYCQR-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000181828312 234341492 /nfs/dbraw/zinc/34/14/92/234341492.db2.gz MVFHOWPXNSRTJU-CYBMUJFWSA-N 1 0 328.434 2.767 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000127870805 222891402 /nfs/dbraw/zinc/89/14/02/222891402.db2.gz HUALABBIGQRZSR-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccnc1 ZINC000182889610 234802982 /nfs/dbraw/zinc/80/29/82/234802982.db2.gz NLLUVZNUIPRRAG-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183577818 235148824 /nfs/dbraw/zinc/14/88/24/235148824.db2.gz DTXSAPFITMABJW-KBPBESRZSA-N 1 0 349.435 2.869 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000359330805 295908009 /nfs/dbraw/zinc/90/80/09/295908009.db2.gz ORENTMNDWGJLJC-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184354184 235374865 /nfs/dbraw/zinc/37/48/65/235374865.db2.gz LOKYNROOMIWJTF-FZMZJTMJSA-N 1 0 346.412 2.718 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]12 ZINC000185087743 235579034 /nfs/dbraw/zinc/57/90/34/235579034.db2.gz LVSHNRXXSQYADL-ZWKOPEQDSA-N 1 0 331.397 2.619 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000436030482 283235298 /nfs/dbraw/zinc/23/52/98/283235298.db2.gz CCNYBQZGOAOOFI-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC[N@H+](C)C1CC1 ZINC000186780881 236017605 /nfs/dbraw/zinc/01/76/05/236017605.db2.gz XKGIZUFAIAXBCU-GFCCVEGCSA-N 1 0 345.403 2.732 20 5 EFBDRO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421349042 283283555 /nfs/dbraw/zinc/28/35/55/283283555.db2.gz HJCQVWIFMNBNJR-DZGCQCFKSA-N 1 0 331.416 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189463123 236923220 /nfs/dbraw/zinc/92/32/20/236923220.db2.gz OFUCVOWEDMACBR-UHFFFAOYSA-N 1 0 331.338 2.959 20 5 EFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000178694176 296019525 /nfs/dbraw/zinc/01/95/25/296019525.db2.gz RBDNRCOIIMKRGZ-MGPQQGTHSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000129713968 223084076 /nfs/dbraw/zinc/08/40/76/223084076.db2.gz HPAPHCGLWBYPAF-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072725008 216300434 /nfs/dbraw/zinc/30/04/34/216300434.db2.gz BXBAIVGEEOODNL-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072834220 216314234 /nfs/dbraw/zinc/31/42/34/216314234.db2.gz SVFMGUQWZDRJME-MRXNPFEDSA-N 1 0 348.447 2.648 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072976080 216333925 /nfs/dbraw/zinc/33/39/25/216333925.db2.gz YFSNEJDVGXGVPD-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976090 216334882 /nfs/dbraw/zinc/33/48/82/216334882.db2.gz NQSQXSTZJQSTDF-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072977003 216336849 /nfs/dbraw/zinc/33/68/49/216336849.db2.gz BSDQWCIPVSBGKZ-CQSZACIVSA-N 1 0 335.404 2.672 20 5 EFBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000191371612 239072177 /nfs/dbraw/zinc/07/21/77/239072177.db2.gz NPIFBFDTHSRZPL-CQSZACIVSA-N 1 0 340.383 2.902 20 5 EFBDRO C[C@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177389096 239371446 /nfs/dbraw/zinc/37/14/46/239371446.db2.gz HOOJPKIDARWSGR-QGZVFWFLSA-N 1 0 347.802 2.781 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000132364144 223324892 /nfs/dbraw/zinc/32/48/92/223324892.db2.gz CKDUOYXUUYCDFC-AWEZNQCLSA-N 1 0 346.431 2.576 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133202 212353306 /nfs/dbraw/zinc/35/33/06/212353306.db2.gz UCADMLAJLVXGPI-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000132624257 223348454 /nfs/dbraw/zinc/34/84/54/223348454.db2.gz UMUKNXALUVFCQT-FZMZJTMJSA-N 1 0 335.404 2.858 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000195206233 240872657 /nfs/dbraw/zinc/87/26/57/240872657.db2.gz LCUYPLPJSDEAQZ-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](C=Cc2ccccc2[N+](=O)[O-])N1 ZINC000212888178 241091181 /nfs/dbraw/zinc/09/11/81/241091181.db2.gz XVQKEEYXNARBLX-FJVVXJACSA-N 1 0 334.339 2.551 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132892388 223371485 /nfs/dbraw/zinc/37/14/85/223371485.db2.gz RHABVNRXTUSGQC-CYBMUJFWSA-N 1 0 337.395 2.976 20 5 EFBDRO CCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160453246 283937415 /nfs/dbraw/zinc/93/74/15/283937415.db2.gz JUVAEAVXMQDAMZ-ZBFHGGJFSA-N 1 0 329.404 2.941 20 5 EFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000226357436 242101219 /nfs/dbraw/zinc/10/12/19/242101219.db2.gz LDEQWMZPTHKCCG-QMMMGPOBSA-N 1 0 329.198 2.647 20 5 EFBDRO C[NH+]1CCC(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000228353519 242139511 /nfs/dbraw/zinc/13/95/11/242139511.db2.gz WEVPMPINIIGIBZ-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000236185247 242287380 /nfs/dbraw/zinc/28/73/80/242287380.db2.gz JBCNWONXWYSDLM-LLVKDONJSA-N 1 0 329.198 2.682 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000236673505 242314708 /nfs/dbraw/zinc/31/47/08/242314708.db2.gz RQYSQFOVLMNQLM-PBWFPOADSA-N 1 0 331.416 2.905 20 5 EFBDRO Cn1cc(C[NH2+]CCCOCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237913776 242851324 /nfs/dbraw/zinc/85/13/24/242851324.db2.gz LVBJQULDFOZYRG-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000412027749 243075809 /nfs/dbraw/zinc/07/58/09/243075809.db2.gz WGKOEIPKFSFQPH-ZDUSSCGKSA-N 1 0 335.404 2.779 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412037274 243085496 /nfs/dbraw/zinc/08/54/96/243085496.db2.gz NIRJFWMQWWKDMS-FHLIZLRMSA-N 1 0 343.427 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412041206 243089657 /nfs/dbraw/zinc/08/96/57/243089657.db2.gz SQEOUIFRGSHPEH-HNNXBMFYSA-N 1 0 347.415 2.580 20 5 EFBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412042416 243091571 /nfs/dbraw/zinc/09/15/71/243091571.db2.gz VGJXRJYUXOYSGO-HIFRSBDPSA-N 1 0 338.452 2.689 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412152458 243172747 /nfs/dbraw/zinc/17/27/47/243172747.db2.gz AOGHQBKKUZJEBS-MXASKKJJSA-N 1 0 331.416 2.687 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412290965 243247996 /nfs/dbraw/zinc/24/79/96/243247996.db2.gz JWVJLDPKGIOKBQ-OKZBNKHCSA-N 1 0 343.427 2.831 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412351241 243283590 /nfs/dbraw/zinc/28/35/90/243283590.db2.gz ASMMEPMMWNJAER-XOKHGSTOSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000247011474 243351989 /nfs/dbraw/zinc/35/19/89/243351989.db2.gz PTCQKBBGYCXLOP-UONOGXRCSA-N 1 0 335.404 2.914 20 5 EFBDRO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247080571 243365825 /nfs/dbraw/zinc/36/58/25/243365825.db2.gz PDQLDXNBJRYMJQ-COXVUDFISA-N 1 0 346.431 2.924 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163471 243511907 /nfs/dbraw/zinc/51/19/07/243511907.db2.gz FBPMQLGOEDSODE-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414281259 244073901 /nfs/dbraw/zinc/07/39/01/244073901.db2.gz MIXWMIBQGAPXCD-SYQHCUMBSA-N 1 0 335.404 2.715 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414298456 244078862 /nfs/dbraw/zinc/07/88/62/244078862.db2.gz QHXSCJHZAUMOQA-YLQAJVPDSA-N 1 0 337.420 2.697 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000414481271 244188575 /nfs/dbraw/zinc/18/85/75/244188575.db2.gz KCITVATVKFJRFR-NSHDSACASA-N 1 0 331.397 2.549 20 5 EFBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000414502911 244199630 /nfs/dbraw/zinc/19/96/30/244199630.db2.gz KGQLGIVCPCVJLV-MAUKXSAKSA-N 1 0 344.415 2.987 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)OCC2CC2)c([N+](=O)[O-])cc1OC ZINC000414518607 244208012 /nfs/dbraw/zinc/20/80/12/244208012.db2.gz VRLQEHIDCFQQCU-UHFFFAOYSA-N 1 0 338.404 2.907 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCOC3)o2)c1 ZINC000414562890 244235730 /nfs/dbraw/zinc/23/57/30/244235730.db2.gz UCGJPIMTHCXAKF-PBHICJAKSA-N 1 0 346.383 2.732 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)n2)CCCC1 ZINC000414629563 244261818 /nfs/dbraw/zinc/26/18/18/244261818.db2.gz QSJKSUSIPSYXQN-UHFFFAOYSA-N 1 0 340.343 2.559 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414652163 244277383 /nfs/dbraw/zinc/27/73/83/244277383.db2.gz GGDSAVXTGDHXQZ-CQSZACIVSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414662988 244283636 /nfs/dbraw/zinc/28/36/36/244283636.db2.gz RTUGGYRFMXJLDE-JKSUJKDBSA-N 1 0 340.383 2.780 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000414704418 244298613 /nfs/dbraw/zinc/29/86/13/244298613.db2.gz NFTXJJHNJHQIJV-UONOGXRCSA-N 1 0 332.404 2.757 20 5 EFBDRO COc1ccc(-c2ccc(CNC3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414782554 244347647 /nfs/dbraw/zinc/34/76/47/244347647.db2.gz FBNIREOSTDQQSF-UHFFFAOYSA-N 1 0 331.372 2.705 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874022 244379146 /nfs/dbraw/zinc/37/91/46/244379146.db2.gz AMFWNBHLNNSGHE-OALUTQOASA-N 1 0 341.411 2.839 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955057 244404596 /nfs/dbraw/zinc/40/45/96/244404596.db2.gz TYRYJVWHJWEPCJ-VIFPVBQESA-N 1 0 346.334 2.835 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414961373 244408838 /nfs/dbraw/zinc/40/88/38/244408838.db2.gz ZAILFKWJMDUMHP-LLVKDONJSA-N 1 0 346.334 2.691 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415657256 244442726 /nfs/dbraw/zinc/44/27/26/244442726.db2.gz LXXKROPJKHZBIW-RISCZKNCSA-N 1 0 336.392 2.727 20 5 EFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000368155678 284164800 /nfs/dbraw/zinc/16/48/00/284164800.db2.gz PRPZLVUNLUEBJU-AWEZNQCLSA-N 1 0 331.397 2.681 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448796121 284193716 /nfs/dbraw/zinc/19/37/16/284193716.db2.gz QZFMJTNIYPAETN-JTQLQIEISA-N 1 0 343.305 2.580 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000262564074 245037019 /nfs/dbraw/zinc/03/70/19/245037019.db2.gz BFHSWYJDNIEZLR-FRRDWIJNSA-N 1 0 337.445 2.661 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417141702 245040045 /nfs/dbraw/zinc/04/00/45/245040045.db2.gz RUACJNVQZQZJDX-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418312148 245118960 /nfs/dbraw/zinc/11/89/60/245118960.db2.gz NHAMFWVTMFRPAK-QWHCGFSZSA-N 1 0 334.420 2.517 20 5 EFBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000262653455 245097950 /nfs/dbraw/zinc/09/79/50/245097950.db2.gz WHXCVYSXLQXWTQ-PXAZEXFGSA-N 1 0 325.368 2.820 20 5 EFBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000262653462 245098271 /nfs/dbraw/zinc/09/82/71/245098271.db2.gz WHXCVYSXLQXWTQ-SJKOYZFVSA-N 1 0 325.368 2.820 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418356787 245133165 /nfs/dbraw/zinc/13/31/65/245133165.db2.gz YLZDJLKIQFMIGR-HNNXBMFYSA-N 1 0 348.447 2.905 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418359421 245135090 /nfs/dbraw/zinc/13/50/90/245135090.db2.gz JEEVYZGGNCZBIZ-KRWDZBQOSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[NH2+]C1 ZINC000418554199 245192092 /nfs/dbraw/zinc/19/20/92/245192092.db2.gz VIZIMJWQMIQAMA-SFHVURJKSA-N 1 0 346.431 2.659 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418575322 245199691 /nfs/dbraw/zinc/19/96/91/245199691.db2.gz WLDKCLWBZHWDQH-KBPBESRZSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC000418629802 245218179 /nfs/dbraw/zinc/21/81/79/245218179.db2.gz WODSQWIMLZMMAE-KRWDZBQOSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(NCCC1=CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418650329 245226325 /nfs/dbraw/zinc/22/63/25/245226325.db2.gz XEWPBKBXKQOJNN-UHFFFAOYSA-N 1 0 344.415 2.579 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418664835 245237391 /nfs/dbraw/zinc/23/73/91/245237391.db2.gz IUPBLNLKFMXQFZ-HDJSIYSDSA-N 1 0 334.420 2.501 20 5 EFBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449661244 284245418 /nfs/dbraw/zinc/24/54/18/284245418.db2.gz ZOXYOUIMQVMGDE-LBPRGKRZSA-N 1 0 341.339 2.537 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418674114 245239053 /nfs/dbraw/zinc/23/90/53/245239053.db2.gz WHXFPNPQBPDVJK-WKILWMFISA-N 1 0 348.447 2.544 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000418710154 245256046 /nfs/dbraw/zinc/25/60/46/245256046.db2.gz DUAOTVCYRMMBCB-CHWSQXEVSA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418735849 245265594 /nfs/dbraw/zinc/26/55/94/245265594.db2.gz WUNRIZHMDSTCSM-DZGCQCFKSA-N 1 0 346.431 2.786 20 5 EFBDRO COC(=O)c1cccc(OCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000419106632 245340743 /nfs/dbraw/zinc/34/07/43/245340743.db2.gz DASAFXDAXWQFGC-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO O=C(CC[NH+]1CCC(OC2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000419301202 245372157 /nfs/dbraw/zinc/37/21/57/245372157.db2.gz KKZZZLJHTUPDDG-UHFFFAOYSA-N 1 0 347.415 2.957 20 5 EFBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000361077865 284262325 /nfs/dbraw/zinc/26/23/25/284262325.db2.gz DEVNFJQXRKBFBD-KBPBESRZSA-N 1 0 345.424 2.927 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC000419315954 245377404 /nfs/dbraw/zinc/37/74/04/245377404.db2.gz KSFZXZUYVNGIOT-GJZGRUSLSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419377770 245395047 /nfs/dbraw/zinc/39/50/47/245395047.db2.gz QMQHXFXLCWJDMT-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1nc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000078950142 217156217 /nfs/dbraw/zinc/15/62/17/217156217.db2.gz OJUBCMBZVHHOMC-GFCCVEGCSA-N 1 0 333.417 2.750 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793669 220066799 /nfs/dbraw/zinc/06/67/99/220066799.db2.gz BXCAYPICKAGURO-VIFPVBQESA-N 1 0 329.198 2.554 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420185432 245552730 /nfs/dbraw/zinc/55/27/30/245552730.db2.gz BRWJHIKLPDEOKK-CYBMUJFWSA-N 1 0 334.420 2.535 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000420395281 245665748 /nfs/dbraw/zinc/66/57/48/245665748.db2.gz SXVKLDYEIZWCIR-ZWKOTPCHSA-N 1 0 345.374 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)o2)c1 ZINC000111320973 220138314 /nfs/dbraw/zinc/13/83/14/220138314.db2.gz ZRJREGSZBZEEOU-MZBDJJRSSA-N 1 0 343.383 2.780 20 5 EFBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1O ZINC000080962047 217344696 /nfs/dbraw/zinc/34/46/96/217344696.db2.gz XTUCGOFFAXZKMC-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[C@H]1C[C@H](CO)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420935660 245751934 /nfs/dbraw/zinc/75/19/34/245751934.db2.gz HYSDCXIDLVKOON-KBPBESRZSA-N 1 0 345.399 2.743 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263870179 245787592 /nfs/dbraw/zinc/78/75/92/245787592.db2.gz ZPFZQNMZEQIORK-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000081364485 217390383 /nfs/dbraw/zinc/39/03/83/217390383.db2.gz QTPXQIXXOXMBOW-HNNXBMFYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000081335235 217384921 /nfs/dbraw/zinc/38/49/21/217384921.db2.gz KZICTIJSCJPDTA-HNNXBMFYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000421679246 246059744 /nfs/dbraw/zinc/05/97/44/246059744.db2.gz ITXQCYDEABGSSC-PNESKVBLSA-N 1 0 337.395 2.826 20 5 EFBDRO CSc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421684214 246062036 /nfs/dbraw/zinc/06/20/36/246062036.db2.gz IYCUWNDMOVBUMU-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000421685446 246064300 /nfs/dbraw/zinc/06/43/00/246064300.db2.gz RLACESLLTOGURX-UHFFFAOYSA-N 1 0 331.372 2.944 20 5 EFBDRO CCNc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421692729 246066629 /nfs/dbraw/zinc/06/66/29/246066629.db2.gz PZZUHJQMLKETQA-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000421709388 246076136 /nfs/dbraw/zinc/07/61/36/246076136.db2.gz DYSNTSDSPFDCDQ-GFCCVEGCSA-N 1 0 345.321 2.780 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000421712037 246078222 /nfs/dbraw/zinc/07/82/22/246078222.db2.gz PPQGIKUGQPETOE-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000421896905 246156819 /nfs/dbraw/zinc/15/68/19/246156819.db2.gz ZYJDWGFKIQYIHW-YOEHRIQHSA-N 1 0 345.443 2.764 20 5 EFBDRO COC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264189865 246159286 /nfs/dbraw/zinc/15/92/86/246159286.db2.gz MJPYLSOPRPPBNX-UHFFFAOYSA-N 1 0 331.372 2.903 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422005866 246212413 /nfs/dbraw/zinc/21/24/13/246212413.db2.gz KFOBSFWBFIGKEB-UHFFFAOYSA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000422636129 246411032 /nfs/dbraw/zinc/41/10/32/246411032.db2.gz VEKALXAEMFNKOY-OAHLLOKOSA-N 1 0 331.416 2.673 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000422845330 246484683 /nfs/dbraw/zinc/48/46/83/246484683.db2.gz BPRDAPAPZXLGAC-OAHLLOKOSA-N 1 0 341.386 2.534 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000422819251 246475571 /nfs/dbraw/zinc/47/55/71/246475571.db2.gz HWDFPKAXAYGOFI-NXEZZACHSA-N 1 0 343.836 2.549 20 5 EFBDRO C[C@](C[NH3+])(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000422833797 246480236 /nfs/dbraw/zinc/48/02/36/246480236.db2.gz WQAODVDVLMZBRA-CQSZACIVSA-N 1 0 343.836 2.584 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000422840852 246482666 /nfs/dbraw/zinc/48/26/66/246482666.db2.gz CEXNFIXAGPTABP-KOLCDFICSA-N 1 0 343.836 2.536 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422889601 246501435 /nfs/dbraw/zinc/50/14/35/246501435.db2.gz GSFZUECVYKMNCV-UHFFFAOYSA-N 1 0 325.434 2.764 20 5 EFBDRO CNC(=O)c1ccc(Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000264471909 246542543 /nfs/dbraw/zinc/54/25/43/246542543.db2.gz NOUORVPPCAYFCY-UHFFFAOYSA-N 1 0 342.399 2.802 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000425467617 247096220 /nfs/dbraw/zinc/09/62/20/247096220.db2.gz BURALNYKOAVCAG-GOSISDBHSA-N 1 0 349.431 2.541 20 5 EFBDRO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000425471755 247098242 /nfs/dbraw/zinc/09/82/42/247098242.db2.gz ICRVKWMICNOKIU-ZDUSSCGKSA-N 1 0 342.237 2.883 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000425511847 247115464 /nfs/dbraw/zinc/11/54/64/247115464.db2.gz XDZLMISDUNKOKN-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000264996289 247120502 /nfs/dbraw/zinc/12/05/02/247120502.db2.gz DCQHDOVDICPGSA-DLBZAZTESA-N 1 0 349.431 2.857 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3CCO)o2)c1 ZINC000426200597 247246964 /nfs/dbraw/zinc/24/69/64/247246964.db2.gz IFMAPIHRGRDKPL-AWEZNQCLSA-N 1 0 331.372 2.639 20 5 EFBDRO Cn1cnc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000425975109 247221389 /nfs/dbraw/zinc/22/13/89/247221389.db2.gz AZLMPZPUNLKYGD-UHFFFAOYSA-N 1 0 340.387 2.515 20 5 EFBDRO CC[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427206663 247330041 /nfs/dbraw/zinc/33/00/41/247330041.db2.gz SURTXOFFYUVZFZ-UHFFFAOYSA-N 1 0 339.339 2.660 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000427591770 247368896 /nfs/dbraw/zinc/36/88/96/247368896.db2.gz AKZKFRWYICTIBD-HNNXBMFYSA-N 1 0 337.420 2.700 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000429515562 247645863 /nfs/dbraw/zinc/64/58/63/247645863.db2.gz BRQYXWFKASKDMB-CYBMUJFWSA-N 1 0 342.399 2.733 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265995757 248009267 /nfs/dbraw/zinc/00/92/67/248009267.db2.gz MYCOCJMFNBZDFE-CQSZACIVSA-N 1 0 333.432 2.673 20 5 EFBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000433194184 248026234 /nfs/dbraw/zinc/02/62/34/248026234.db2.gz MECKDXBWGWUJBM-CYBMUJFWSA-N 1 0 329.356 2.613 20 5 EFBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000433202938 248027763 /nfs/dbraw/zinc/02/77/63/248027763.db2.gz VGCACGMRBMJMQC-CYBMUJFWSA-N 1 0 329.356 2.613 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000266012235 248028101 /nfs/dbraw/zinc/02/81/01/248028101.db2.gz QCHXVEKBGPNILM-YXAMBPQSSA-N 1 0 347.415 2.633 20 5 EFBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433203225 248028550 /nfs/dbraw/zinc/02/85/50/248028550.db2.gz WQLZGSCNORDSHF-CQSZACIVSA-N 1 0 340.445 2.947 20 5 EFBDRO Cc1cnc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000433777178 248088924 /nfs/dbraw/zinc/08/89/24/248088924.db2.gz ITOPVAGODHQZEX-RDJZCZTQSA-N 1 0 341.415 2.822 20 5 EFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000266098129 248095228 /nfs/dbraw/zinc/09/52/28/248095228.db2.gz RAEXTHWQRRYQKW-WCQYABFASA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266104535 248099441 /nfs/dbraw/zinc/09/94/41/248099441.db2.gz SKTLNIUNIDDCSG-GASCZTMLSA-N 1 0 333.432 2.622 20 5 EFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000266047794 248061909 /nfs/dbraw/zinc/06/19/09/248061909.db2.gz FKXOBBPIROENKJ-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435376954 248231900 /nfs/dbraw/zinc/23/19/00/248231900.db2.gz WPTRGRYHLAFCDJ-ZDUSSCGKSA-N 1 0 343.431 2.555 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000266343398 248256544 /nfs/dbraw/zinc/25/65/44/248256544.db2.gz MVQZNTOCUWSORA-CQSZACIVSA-N 1 0 342.399 2.660 20 5 EFBDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266433349 248298668 /nfs/dbraw/zinc/29/86/68/248298668.db2.gz LFIZEJYOIVJGLM-DLBZAZTESA-N 1 0 346.431 2.919 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000266452690 248308064 /nfs/dbraw/zinc/30/80/64/248308064.db2.gz ORGIXRPLYLZEIC-BBRMVZONSA-N 1 0 340.383 2.656 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)c1 ZINC000266382027 248273958 /nfs/dbraw/zinc/27/39/58/248273958.db2.gz AYYAODRUABSXAE-QZTJIDSGSA-N 1 0 344.415 2.770 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)cc1OC(F)F ZINC000266388320 248276661 /nfs/dbraw/zinc/27/66/61/248276661.db2.gz NRIKHZFKDXOMNZ-UHFFFAOYSA-N 1 0 327.331 2.871 20 5 EFBDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266531635 248348750 /nfs/dbraw/zinc/34/87/50/248348750.db2.gz MIPQCJZAVOPPCU-IAGOWNOFSA-N 1 0 332.404 2.625 20 5 EFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000266538306 248350989 /nfs/dbraw/zinc/35/09/89/248350989.db2.gz PCGQIRVZFFRTJJ-WMZOPIPTSA-N 1 0 344.415 2.606 20 5 EFBDRO COc1ccc(OCCN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266565674 248363158 /nfs/dbraw/zinc/36/31/58/248363158.db2.gz ZMDODFSWYIISES-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266825326 248465541 /nfs/dbraw/zinc/46/55/41/248465541.db2.gz CTQYZJRZPIULMD-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435624172 249391257 /nfs/dbraw/zinc/39/12/57/249391257.db2.gz DWBOZHCUPXEALP-CQSZACIVSA-N 1 0 345.403 2.609 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347944033 284673382 /nfs/dbraw/zinc/67/33/82/284673382.db2.gz PJTXDJIXSQHSHN-NEPJUHHUSA-N 1 0 325.384 2.684 20 5 EFBDRO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000012348515 211354487 /nfs/dbraw/zinc/35/44/87/211354487.db2.gz SNIXCRPQMBSGKG-HNNXBMFYSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439650014 249846358 /nfs/dbraw/zinc/84/63/58/249846358.db2.gz REXSYVFHTJSHKM-KSYCFECVSA-N 1 0 347.415 2.715 20 5 EFBDRO CCOc1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091800025 218068055 /nfs/dbraw/zinc/06/80/55/218068055.db2.gz FTLDNJUZQMJAHL-UHFFFAOYSA-N 1 0 342.399 2.979 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984941 218097836 /nfs/dbraw/zinc/09/78/36/218097836.db2.gz IWLYSUWGHYDBQF-OAHLLOKOSA-N 1 0 333.432 2.934 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000441177887 250003716 /nfs/dbraw/zinc/00/37/16/250003716.db2.gz RVUPGQYWKGGPPC-UHFFFAOYSA-N 1 0 346.383 2.993 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092427329 218140008 /nfs/dbraw/zinc/14/00/08/218140008.db2.gz IWVCEQANUFMKDV-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000092429313 218141333 /nfs/dbraw/zinc/14/13/33/218141333.db2.gz MHQGYWPXCLXAHE-OCCSQVGLSA-N 1 0 331.416 2.875 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706156 218160539 /nfs/dbraw/zinc/16/05/39/218160539.db2.gz GENNAAWHXKVCPN-INIZCTEOSA-N 1 0 333.432 2.887 20 5 EFBDRO Cc1cccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000092821802 218171816 /nfs/dbraw/zinc/17/18/16/218171816.db2.gz JTTOPTMACPZWNY-UHFFFAOYSA-N 1 0 339.395 2.854 20 5 EFBDRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000010017720 211140884 /nfs/dbraw/zinc/14/08/84/211140884.db2.gz NOOKFAFDHNMCFP-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000093434287 218226259 /nfs/dbraw/zinc/22/62/59/218226259.db2.gz DAALGEHSFHGELJ-IUCAKERBSA-N 1 0 329.198 2.552 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434426 218226434 /nfs/dbraw/zinc/22/64/34/218226434.db2.gz OOHGDPSAMNRRRJ-KCJUWKMLSA-N 1 0 329.198 2.682 20 5 EFBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093597549 218234469 /nfs/dbraw/zinc/23/44/69/218234469.db2.gz DWJYBAYVYSYROY-CQSZACIVSA-N 1 0 349.431 2.530 20 5 EFBDRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534618 218230907 /nfs/dbraw/zinc/23/09/07/218230907.db2.gz JXMNYVIUXMSVBV-ZDUSSCGKSA-N 1 0 344.419 2.697 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646327 250215328 /nfs/dbraw/zinc/21/53/28/250215328.db2.gz CHKFCCVYGLSEJB-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000443509747 250201213 /nfs/dbraw/zinc/20/12/13/250201213.db2.gz OADQXJSAFZYHTD-CQSZACIVSA-N 1 0 334.445 2.838 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000443987504 250245605 /nfs/dbraw/zinc/24/56/05/250245605.db2.gz JSLUEGDQWGVVJF-UHFFFAOYSA-N 1 0 334.397 2.597 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC[N@@H+]1C ZINC000444302943 250284665 /nfs/dbraw/zinc/28/46/65/250284665.db2.gz SKYSELMNQHYDNC-SUMWQHHRSA-N 1 0 349.434 2.894 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444679158 250328197 /nfs/dbraw/zinc/32/81/97/250328197.db2.gz LOCZGQVEWYWYMV-UHFFFAOYSA-N 1 0 337.423 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000444639994 250321755 /nfs/dbraw/zinc/32/17/55/250321755.db2.gz OMPZIQKTLKSOMK-AWEZNQCLSA-N 1 0 343.431 2.779 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000094019631 218260614 /nfs/dbraw/zinc/26/06/14/218260614.db2.gz LAFKNYKIPNBHPQ-GFCCVEGCSA-N 1 0 333.432 2.982 20 5 EFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCCCCC1 ZINC000444691342 250331322 /nfs/dbraw/zinc/33/13/22/250331322.db2.gz YBVKZXHLZZZJHB-UHFFFAOYSA-N 1 0 332.404 2.988 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(O)cc2)n1 ZINC000447528821 250571147 /nfs/dbraw/zinc/57/11/47/250571147.db2.gz KHGIBNACSCDQOO-JKSUJKDBSA-N 1 0 330.388 2.813 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267232580 250857055 /nfs/dbraw/zinc/85/70/55/250857055.db2.gz QHBOIZIKDHBAMY-CJNGLKHVSA-N 1 0 343.431 2.959 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000449093115 250912543 /nfs/dbraw/zinc/91/25/43/250912543.db2.gz VLLURQQJSPSJSD-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000449196915 250950119 /nfs/dbraw/zinc/95/01/19/250950119.db2.gz UHMFQTQZPJEHGC-GOEBONIOSA-N 1 0 334.416 2.844 20 5 EFBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000449404293 251014168 /nfs/dbraw/zinc/01/41/68/251014168.db2.gz UHBKUZOQFDYKHY-ZDUSSCGKSA-N 1 0 328.372 2.805 20 5 EFBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000449405287 251015410 /nfs/dbraw/zinc/01/54/10/251015410.db2.gz XZWXOOOAJDLNOV-CYBMUJFWSA-N 1 0 328.372 2.805 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449458007 251033295 /nfs/dbraw/zinc/03/32/95/251033295.db2.gz OSBIPEPKMLTYAZ-RDTXWAMCSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1O ZINC000449508385 251047884 /nfs/dbraw/zinc/04/78/84/251047884.db2.gz HDYLYADBYDVHBV-CXAGYDPISA-N 1 0 340.420 2.688 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449515446 251049331 /nfs/dbraw/zinc/04/93/31/251049331.db2.gz ZFVWASTWZUTBEN-KGLIPLIRSA-N 1 0 336.388 2.815 20 5 EFBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000449520293 251050668 /nfs/dbraw/zinc/05/06/68/251050668.db2.gz RUHWBRDBWOZXTF-CYBMUJFWSA-N 1 0 329.356 2.565 20 5 EFBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449496880 251043681 /nfs/dbraw/zinc/04/36/81/251043681.db2.gz HXLQHWUXIZGKLG-MRXNPFEDSA-N 1 0 341.415 2.830 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000449503086 251044564 /nfs/dbraw/zinc/04/45/64/251044564.db2.gz XHNIWXKDHDWMQR-LRDDRELGSA-N 1 0 336.388 2.708 20 5 EFBDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424114 251044601 /nfs/dbraw/zinc/04/46/01/251044601.db2.gz LCTQRDOTDFIJFC-CZUORRHYSA-N 1 0 337.420 2.567 20 5 EFBDRO CO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449503767 251045339 /nfs/dbraw/zinc/04/53/39/251045339.db2.gz PWYSGEURZSYZCN-GUYCJALGSA-N 1 0 344.415 2.852 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449574277 251070079 /nfs/dbraw/zinc/07/00/79/251070079.db2.gz UIJSIHMHOSDARS-LALPHHSUSA-N 1 0 343.387 2.804 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449594934 251076181 /nfs/dbraw/zinc/07/61/81/251076181.db2.gz RUQHYSWJCVZTRB-DDUZABMNSA-N 1 0 344.415 2.769 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449624991 251084422 /nfs/dbraw/zinc/08/44/22/251084422.db2.gz AMCQOUITAXSVLZ-PRXAMGSTSA-N 1 0 335.404 2.715 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449624989 251084642 /nfs/dbraw/zinc/08/46/42/251084642.db2.gz AMCQOUITAXSVLZ-JKDFXYPNSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@@H]1CCOC1 ZINC000449684865 251114965 /nfs/dbraw/zinc/11/49/65/251114965.db2.gz QLCPTERJOZWSPQ-ZIAGYGMSSA-N 1 0 335.404 2.718 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449710838 251125658 /nfs/dbraw/zinc/12/56/58/251125658.db2.gz BTHXTOXIXLBFRK-RHSMWYFYSA-N 1 0 332.356 2.748 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449758743 251144265 /nfs/dbraw/zinc/14/42/65/251144265.db2.gz WRSRCTGJIXCELG-DRPJVOAASA-N 1 0 331.416 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000449791948 251156287 /nfs/dbraw/zinc/15/62/87/251156287.db2.gz QUSPPYMFYUYYFJ-LLVKDONJSA-N 1 0 330.331 2.791 20 5 EFBDRO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000449941214 251207252 /nfs/dbraw/zinc/20/72/52/251207252.db2.gz VBRSGUQESQMXEK-CYBMUJFWSA-N 1 0 349.431 2.650 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450240778 251310466 /nfs/dbraw/zinc/31/04/66/251310466.db2.gz HHZUGYBNXBQMIO-AWEZNQCLSA-N 1 0 337.420 2.699 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450240779 251311848 /nfs/dbraw/zinc/31/18/48/251311848.db2.gz HHZUGYBNXBQMIO-CQSZACIVSA-N 1 0 337.420 2.699 20 5 EFBDRO CC(C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCOCC1 ZINC000450241804 251311997 /nfs/dbraw/zinc/31/19/97/251311997.db2.gz KATYVDHGQIARBE-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450246892 251312658 /nfs/dbraw/zinc/31/26/58/251312658.db2.gz VXSHAHMXPYCTKY-QGZVFWFLSA-N 1 0 349.431 2.843 20 5 EFBDRO COCC[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450280569 251327634 /nfs/dbraw/zinc/32/76/34/251327634.db2.gz YUIYMFQQZSXLGP-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[NH+](C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000450311644 251339764 /nfs/dbraw/zinc/33/97/64/251339764.db2.gz IPYGUDBDXZEQQM-OAHLLOKOSA-N 1 0 332.429 2.892 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000451415775 251554401 /nfs/dbraw/zinc/55/44/01/251554401.db2.gz JUCMIFVLHFOJMY-CFVMTHIKSA-N 1 0 331.372 2.861 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453302626 252030530 /nfs/dbraw/zinc/03/05/30/252030530.db2.gz DTABLAGMRQXVDV-QWHCGFSZSA-N 1 0 335.433 2.872 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000453328386 252033798 /nfs/dbraw/zinc/03/37/98/252033798.db2.gz SZVVOOARRSWARL-QEORTHHSSA-N 1 0 338.404 2.696 20 5 EFBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000268617796 252072033 /nfs/dbraw/zinc/07/20/33/252072033.db2.gz ZNSOOIZNWSVZMZ-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C(C)C ZINC000453035443 252022064 /nfs/dbraw/zinc/02/20/64/252022064.db2.gz KFMPRWHPNVXDPS-RVKKMQEKSA-N 1 0 336.432 2.947 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454129551 252149682 /nfs/dbraw/zinc/14/96/82/252149682.db2.gz FRWGLGUYPZCIDZ-UHFFFAOYSA-N 1 0 338.408 2.845 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000153324992 224088745 /nfs/dbraw/zinc/08/87/45/224088745.db2.gz QTJGDBOGJKVBPN-UHFFFAOYSA-N 1 0 349.412 2.566 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000268737707 252188080 /nfs/dbraw/zinc/18/80/80/252188080.db2.gz CASIDSQHRNNRJW-ZBFHGGJFSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000268737699 252188588 /nfs/dbraw/zinc/18/85/88/252188588.db2.gz CASIDSQHRNNRJW-GDBMZVCRSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000454310035 252209526 /nfs/dbraw/zinc/20/95/26/252209526.db2.gz FRGZDUILJTVVOB-CQSZACIVSA-N 1 0 342.399 2.517 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261580824 285083289 /nfs/dbraw/zinc/08/32/89/285083289.db2.gz FOVXVNZITFDHHQ-KOLCDFICSA-N 1 0 326.194 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000193785820 285112839 /nfs/dbraw/zinc/11/28/39/285112839.db2.gz ALYLSRBNBKOLQW-INIZCTEOSA-N 1 0 348.403 2.953 20 5 EFBDRO O=[N+]([O-])c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111404004 285114528 /nfs/dbraw/zinc/11/45/28/285114528.db2.gz CQMSHWAZJUIMJC-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150893782 285124116 /nfs/dbraw/zinc/12/41/16/285124116.db2.gz BFSJOTGAXKWGTL-ZDUSSCGKSA-N 1 0 334.376 2.958 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153536745 224119652 /nfs/dbraw/zinc/11/96/52/224119652.db2.gz ASGIUAVXHMFAMR-NVXWUHKLSA-N 1 0 343.427 2.613 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000153572613 224124131 /nfs/dbraw/zinc/12/41/31/224124131.db2.gz SARGDYIAWJGPOR-RDTXWAMCSA-N 1 0 343.427 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)C1CCOCC1)CCC2 ZINC000447592341 285144449 /nfs/dbraw/zinc/14/44/49/285144449.db2.gz KXGKGKDSXDOABT-MSOLQXFVSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCOC3)C1)CCC2 ZINC000373206771 285145743 /nfs/dbraw/zinc/14/57/43/285145743.db2.gz UZXSONWOOLMTAD-QGTPRVQTSA-N 1 0 332.400 2.900 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(O)CCCCCC2)n1 ZINC000447535350 285169798 /nfs/dbraw/zinc/16/97/98/285169798.db2.gz FJXDIJWXEWOFAU-CABCVRRESA-N 1 0 336.436 2.950 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)c1 ZINC000266382028 285189969 /nfs/dbraw/zinc/18/99/69/285189969.db2.gz AYYAODRUABSXAE-ROUUACIJSA-N 1 0 344.415 2.770 20 5 EFBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000179686871 533195211 /nfs/dbraw/zinc/19/52/11/533195211.db2.gz MDSLIJUIZINCQC-GOSISDBHSA-N 1 0 343.383 2.506 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000269277541 255557779 /nfs/dbraw/zinc/55/77/79/255557779.db2.gz PEKVYHKOFDKCIM-INIZCTEOSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117756512 221086547 /nfs/dbraw/zinc/08/65/47/221086547.db2.gz RPFAMNVZGXWMMN-GFCCVEGCSA-N 1 0 339.823 2.639 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000468631352 256017587 /nfs/dbraw/zinc/01/75/87/256017587.db2.gz LBGWQAVMHGNIHX-KZIRBZLESA-N 1 0 347.459 2.945 20 5 EFBDRO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000466484056 256003342 /nfs/dbraw/zinc/00/33/42/256003342.db2.gz ZZWYHINANUXOAI-CQSZACIVSA-N 1 0 331.416 2.996 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868691 221199749 /nfs/dbraw/zinc/19/97/49/221199749.db2.gz IYONZZURBISRDC-AWEZNQCLSA-N 1 0 348.447 2.586 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000118988033 221218657 /nfs/dbraw/zinc/21/86/57/221218657.db2.gz DAOMDSNHTOCMJG-HZPDHXFCSA-N 1 0 331.416 2.714 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccn1 ZINC000181813590 533224638 /nfs/dbraw/zinc/22/46/38/533224638.db2.gz CMORDZLOAHUVHC-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119706464 221382884 /nfs/dbraw/zinc/38/28/84/221382884.db2.gz OWIOWVROXLOHJU-AWEZNQCLSA-N 1 0 344.415 2.854 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000119689720 221377318 /nfs/dbraw/zinc/37/73/18/221377318.db2.gz JXPWKWFWODJORA-QGZVFWFLSA-N 1 0 345.443 2.923 20 5 EFBDRO COc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000154998171 224340908 /nfs/dbraw/zinc/34/09/08/224340908.db2.gz LZQNCEHLLVNZRX-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000039982521 258059417 /nfs/dbraw/zinc/05/94/17/258059417.db2.gz IBZPZBIFGRKQPI-GDBMZVCRSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000039982517 258059462 /nfs/dbraw/zinc/05/94/62/258059462.db2.gz IBZPZBIFGRKQPI-ZBFHGGJFSA-N 1 0 330.384 2.994 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425346702 533382843 /nfs/dbraw/zinc/38/28/43/533382843.db2.gz GIAMJWBTTCWNMF-QXSWTLKVSA-N 1 0 327.388 2.927 20 5 EFBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000192633293 533401076 /nfs/dbraw/zinc/40/10/76/533401076.db2.gz YUWKYCQDGHBKOR-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccco1 ZINC000344818947 533408314 /nfs/dbraw/zinc/40/83/14/533408314.db2.gz GBARCCABFSLAQE-JLHYYAGUSA-N 1 0 329.356 2.611 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000344916297 533408418 /nfs/dbraw/zinc/40/84/18/533408418.db2.gz VPNWLMNMWNRBBC-KMPOOHAWSA-N 1 0 333.432 2.556 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCN1CCOCC1 ZINC000344855914 533408741 /nfs/dbraw/zinc/40/87/41/533408741.db2.gz LDBNYKJUDBGPNX-STTHAQSSSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183602 533600313 /nfs/dbraw/zinc/60/03/13/533600313.db2.gz DIYOVMYVOKMHJF-GJZGRUSLSA-N 1 0 346.431 2.783 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000183822377 533557815 /nfs/dbraw/zinc/55/78/15/533557815.db2.gz ZYAMSTPBFDWEIV-AWEZNQCLSA-N 1 0 336.388 2.578 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000159016945 533567424 /nfs/dbraw/zinc/56/74/24/533567424.db2.gz QLBWLWZICNVXRE-BBRMVZONSA-N 1 0 330.388 2.883 20 5 EFBDRO COc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000189819775 533663337 /nfs/dbraw/zinc/66/33/37/533663337.db2.gz IIHKEJJXCINEAA-GOSISDBHSA-N 1 0 330.384 2.991 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000319226121 141490597 /nfs/dbraw/zinc/49/05/97/141490597.db2.gz ULBHATNQCDFAPD-UHFFFAOYSA-N 1 0 325.796 2.743 20 5 EFBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000326583831 141502979 /nfs/dbraw/zinc/50/29/79/141502979.db2.gz BEFYUZSSFVASCG-QGZVFWFLSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940613 141503441 /nfs/dbraw/zinc/50/34/41/141503441.db2.gz XQANVLUEHYEJMN-CJNGLKHVSA-N 1 0 344.415 2.820 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341738105 141858532 /nfs/dbraw/zinc/85/85/32/141858532.db2.gz ZTYTVFUZLJASJY-MGPQQGTHSA-N 1 0 346.431 2.535 20 5 EFBDRO COc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000354391125 146702027 /nfs/dbraw/zinc/70/20/27/146702027.db2.gz QKMKTENPKZPCMH-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000344446710 142018201 /nfs/dbraw/zinc/01/82/01/142018201.db2.gz KNJAHXIKJCGJJL-RYUDHWBXSA-N 1 0 339.823 2.732 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344479055 142024448 /nfs/dbraw/zinc/02/44/48/142024448.db2.gz YXBODNRKNJLFKC-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663664 142057689 /nfs/dbraw/zinc/05/76/89/142057689.db2.gz IBSUTMMRLBAVKB-ZYHUDNBSSA-N 1 0 329.347 2.769 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000344694720 142062374 /nfs/dbraw/zinc/06/23/74/142062374.db2.gz DFPKNERAQHMCMW-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344702135 142063494 /nfs/dbraw/zinc/06/34/94/142063494.db2.gz RXVIQPVSJPZVES-HOTGVXAUSA-N 1 0 344.415 2.898 20 5 EFBDRO COCCN1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344838869 142085930 /nfs/dbraw/zinc/08/59/30/142085930.db2.gz CBLIEAFOQYYWDH-QINSGFPZSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345024944 142113013 /nfs/dbraw/zinc/11/30/13/142113013.db2.gz PLABBRUKKPQYEN-QWRGUYRKSA-N 1 0 325.796 2.737 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345024942 142113270 /nfs/dbraw/zinc/11/32/70/142113270.db2.gz PLABBRUKKPQYEN-PHIMTYICSA-N 1 0 325.796 2.737 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000345938409 142120935 /nfs/dbraw/zinc/12/09/35/142120935.db2.gz BXWSKZKDCCKEPY-NWDGAFQWSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345960511 142124249 /nfs/dbraw/zinc/12/42/49/142124249.db2.gz NZBPNZXVRMLYSU-STQMWFEESA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000346109627 142147937 /nfs/dbraw/zinc/14/79/37/142147937.db2.gz OZZUTSSOBLTADS-CYBMUJFWSA-N 1 0 331.416 2.639 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346160224 142157728 /nfs/dbraw/zinc/15/77/28/142157728.db2.gz FEOFWTABEPXWCJ-DUVNUKRYSA-N 1 0 331.416 2.706 20 5 EFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000346202848 142166364 /nfs/dbraw/zinc/16/63/64/142166364.db2.gz AMXFGJDIGMKZCA-MRXNPFEDSA-N 1 0 329.404 2.953 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346221975 142170681 /nfs/dbraw/zinc/17/06/81/142170681.db2.gz LAHPAPOOLPLSSH-PMUMKWKESA-N 1 0 345.443 2.634 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)cs2)c1 ZINC000346323134 142189270 /nfs/dbraw/zinc/18/92/70/142189270.db2.gz FNRCNUYNKCUFBI-VBNZEHGJSA-N 1 0 345.424 2.921 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346331703 142190667 /nfs/dbraw/zinc/19/06/67/142190667.db2.gz WSGQEHWFAIFOPK-APWZRJJASA-N 1 0 345.443 2.718 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346331705 142190864 /nfs/dbraw/zinc/19/08/64/142190864.db2.gz WSGQEHWFAIFOPK-QFBILLFUSA-N 1 0 345.443 2.718 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccn1 ZINC000347537217 142232335 /nfs/dbraw/zinc/23/23/35/142232335.db2.gz JKFLSIBSLFNSFS-LBPRGKRZSA-N 1 0 344.371 2.596 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000347545449 142233762 /nfs/dbraw/zinc/23/37/62/142233762.db2.gz CMHLHFDKHVCXOK-GFCCVEGCSA-N 1 0 325.368 2.997 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000347633464 142248434 /nfs/dbraw/zinc/24/84/34/142248434.db2.gz DTCYTKVYTNEFAL-UHFFFAOYSA-N 1 0 330.388 2.693 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000347696980 142258571 /nfs/dbraw/zinc/25/85/71/142258571.db2.gz GXVUYBBDTVROON-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347805795 142274478 /nfs/dbraw/zinc/27/44/78/142274478.db2.gz CNJPDFPUBIMCTR-ZDUSSCGKSA-N 1 0 336.436 2.564 20 5 EFBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000347850959 142282213 /nfs/dbraw/zinc/28/22/13/142282213.db2.gz GLWDBVWHUNSDCV-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000347858680 142283395 /nfs/dbraw/zinc/28/33/95/142283395.db2.gz GVDHGGOVUMUCKF-UHFFFAOYSA-N 1 0 346.475 2.757 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000347950312 142298370 /nfs/dbraw/zinc/29/83/70/142298370.db2.gz MMHXGUOBRIDLLX-INIZCTEOSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000348018937 142309899 /nfs/dbraw/zinc/30/98/99/142309899.db2.gz OJFACXXQWBRIIG-YNEHKIRRSA-N 1 0 335.379 2.580 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000349649557 142343439 /nfs/dbraw/zinc/34/34/39/142343439.db2.gz CUHHJNPVHOPKDQ-LBPRGKRZSA-N 1 0 325.368 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000349661904 142345486 /nfs/dbraw/zinc/34/54/86/142345486.db2.gz GZPVWYARGBJPLN-HOTGVXAUSA-N 1 0 338.429 2.537 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352487195 142496637 /nfs/dbraw/zinc/49/66/37/142496637.db2.gz BADHBIJJSLEYMB-CABCVRRESA-N 1 0 339.461 2.845 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000341279967 145025459 /nfs/dbraw/zinc/02/54/59/145025459.db2.gz WEXGLYJNYYFKND-AWEZNQCLSA-N 1 0 333.432 2.815 20 5 EFBDRO C[NH+]1CCN(CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341394074 145044488 /nfs/dbraw/zinc/04/44/88/145044488.db2.gz XKQVIQFQEKPZMX-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342128077 145067229 /nfs/dbraw/zinc/06/72/29/145067229.db2.gz RLLDRNGXKOABBL-KBXCAEBGSA-N 1 0 348.399 2.769 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1CCCC2 ZINC000342143622 145070118 /nfs/dbraw/zinc/07/01/18/145070118.db2.gz VSHFHPIKRRZWLG-CXAGYDPISA-N 1 0 336.363 2.899 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@@H]1CCCC2 ZINC000342149770 145071592 /nfs/dbraw/zinc/07/15/92/145071592.db2.gz GRXMWCLMYMVUGB-KBXCAEBGSA-N 1 0 348.399 2.769 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342324000 145101160 /nfs/dbraw/zinc/10/11/60/145101160.db2.gz QTIVGFVBKVTZLG-NSHDSACASA-N 1 0 345.403 2.543 20 5 EFBDRO C[C@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342353817 145107385 /nfs/dbraw/zinc/10/73/85/145107385.db2.gz HFTCITMYDOUNEY-KBPBESRZSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342353824 145107802 /nfs/dbraw/zinc/10/78/02/145107802.db2.gz HFTCITMYDOUNEY-ZIAGYGMSSA-N 1 0 340.445 2.784 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342418981 145121800 /nfs/dbraw/zinc/12/18/00/145121800.db2.gz RPILXIDAUCTKAL-KGLIPLIRSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000342481994 145135635 /nfs/dbraw/zinc/13/56/35/145135635.db2.gz CUMVYVOGHFOFMG-DPORPMIOSA-N 1 0 349.406 2.921 20 5 EFBDRO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000342481997 145135865 /nfs/dbraw/zinc/13/58/65/145135865.db2.gz CUMVYVOGHFOFMG-KIFYNCCSSA-N 1 0 349.406 2.921 20 5 EFBDRO CN(CC[C@H]1CCCO1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000342605636 145157804 /nfs/dbraw/zinc/15/78/04/145157804.db2.gz ZHZQLGLGGBFSKK-CQSZACIVSA-N 1 0 332.360 2.646 20 5 EFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000342610265 145158924 /nfs/dbraw/zinc/15/89/24/145158924.db2.gz AIQFVNNBRLEGHY-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000342670526 145170104 /nfs/dbraw/zinc/17/01/04/145170104.db2.gz ZZMUHULTGJRYHA-AWEZNQCLSA-N 1 0 331.416 2.852 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342744202 145183722 /nfs/dbraw/zinc/18/37/22/145183722.db2.gz RWQHBUSRVLLXNK-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1ccc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000342767677 145188134 /nfs/dbraw/zinc/18/81/34/145188134.db2.gz FGBKYWNIIUSKTO-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000342777143 145189532 /nfs/dbraw/zinc/18/95/32/145189532.db2.gz BXUTWQPDWNCAOF-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC([NH+]2CCCC2)CC1 ZINC000342885128 145214770 /nfs/dbraw/zinc/21/47/70/145214770.db2.gz ZEQAHGYBXOOKQH-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000342887948 145215293 /nfs/dbraw/zinc/21/52/93/145215293.db2.gz BREHEMYGDWIGCT-NSHDSACASA-N 1 0 329.356 2.555 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342889749 145215927 /nfs/dbraw/zinc/21/59/27/145215927.db2.gz ZMEMNAVJDVGIEJ-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342933760 145224115 /nfs/dbraw/zinc/22/41/15/145224115.db2.gz JDZOIASRSPWDNB-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342943771 145226414 /nfs/dbraw/zinc/22/64/14/145226414.db2.gz MERJXENWEPGJFP-CYBMUJFWSA-N 1 0 344.415 2.784 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000343550601 145235494 /nfs/dbraw/zinc/23/54/94/145235494.db2.gz CCMKMYWNCAYPTM-ZDUSSCGKSA-N 1 0 342.399 2.747 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000343550599 145235576 /nfs/dbraw/zinc/23/55/76/145235576.db2.gz CCMKMYWNCAYPTM-CYBMUJFWSA-N 1 0 342.399 2.747 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343565639 145240128 /nfs/dbraw/zinc/24/01/28/145240128.db2.gz RYBUIYJIJYCBIQ-XUJVJEKNSA-N 1 0 337.445 2.674 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343598879 145248520 /nfs/dbraw/zinc/24/85/20/145248520.db2.gz IHSTUYFIEBLRFR-CZUORRHYSA-N 1 0 341.415 2.677 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000343621321 145254526 /nfs/dbraw/zinc/25/45/26/145254526.db2.gz HOWSQIJMLZKHRB-IBGZPJMESA-N 1 0 341.411 2.962 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000343659797 145264939 /nfs/dbraw/zinc/26/49/39/145264939.db2.gz BPMQRULXRLCIBA-HNNXBMFYSA-N 1 0 349.431 2.520 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343764759 145289847 /nfs/dbraw/zinc/28/98/47/145289847.db2.gz WOAWANRJRBVGFW-YOEHRIQHSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000343788523 145294653 /nfs/dbraw/zinc/29/46/53/145294653.db2.gz ZXXLRJNLPSGUSW-CYBMUJFWSA-N 1 0 337.395 2.782 20 5 EFBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000344039722 145353235 /nfs/dbraw/zinc/35/32/35/145353235.db2.gz UKXYMVMNBSGIAK-CYBMUJFWSA-N 1 0 331.416 2.852 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344133091 145375985 /nfs/dbraw/zinc/37/59/85/145375985.db2.gz PCMAHHSTEGDFRA-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344216004 145394460 /nfs/dbraw/zinc/39/44/60/145394460.db2.gz LHZMQRWVALGDEB-GFCCVEGCSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000348140344 145879823 /nfs/dbraw/zinc/87/98/23/145879823.db2.gz BBHVWTOZGYHIIU-QWRGUYRKSA-N 1 0 341.795 2.591 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000348515419 145960715 /nfs/dbraw/zinc/96/07/15/145960715.db2.gz YHNXYIAYQHEPRH-UHFFFAOYSA-N 1 0 343.383 2.912 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522152 145963644 /nfs/dbraw/zinc/96/36/44/145963644.db2.gz VSSLIXVUNIYFQT-JQWIXIFHSA-N 1 0 334.294 2.992 20 5 EFBDRO CC(=O)Nc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348896073 146021077 /nfs/dbraw/zinc/02/10/77/146021077.db2.gz SIZBYTYOCOYQPH-UHFFFAOYSA-N 1 0 328.372 2.519 20 5 EFBDRO Cc1nc2ccccn2c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348898186 146021629 /nfs/dbraw/zinc/02/16/29/146021629.db2.gz XHRHWYSDWVZNNY-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO COCCOc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348917926 146024376 /nfs/dbraw/zinc/02/43/76/146024376.db2.gz AFCWHUHTKNHTIM-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350951024 146102630 /nfs/dbraw/zinc/10/26/30/146102630.db2.gz OJHQCYWSXUFKOI-XJKSGUPXSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351144394 146113244 /nfs/dbraw/zinc/11/32/44/146113244.db2.gz MEVGGJFVSRZBAQ-INIZCTEOSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1nccn1CCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351498501 146131612 /nfs/dbraw/zinc/13/16/12/146131612.db2.gz BBPFGEQRUGLROT-HZPDHXFCSA-N 1 0 346.435 2.850 20 5 EFBDRO CCOc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351505114 146133096 /nfs/dbraw/zinc/13/30/96/146133096.db2.gz ZPPSOLISPKKWTF-HUUCEWRRSA-N 1 0 345.403 2.859 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2Cc3ccccc3O2)n1 ZINC000351525494 146138638 /nfs/dbraw/zinc/13/86/38/146138638.db2.gz SVTWJGRNDIFDGP-OWCLPIDISA-N 1 0 342.399 2.868 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351621080 146160401 /nfs/dbraw/zinc/16/04/01/146160401.db2.gz PSOKAHACLQENSD-NHYWBVRUSA-N 1 0 336.367 2.682 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351656642 146170037 /nfs/dbraw/zinc/17/00/37/146170037.db2.gz UOLDPBMMXUMUEO-UHFFFAOYSA-N 1 0 326.372 2.785 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000351859411 146220489 /nfs/dbraw/zinc/22/04/89/146220489.db2.gz OMUVOZNRHIOCJS-UHFFFAOYSA-N 1 0 325.359 2.933 20 5 EFBDRO CC(C)[C@](C)(CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352877672 146338841 /nfs/dbraw/zinc/33/88/41/146338841.db2.gz BVEKXQWTGHOIGR-KRWDZBQOSA-N 1 0 333.388 2.789 20 5 EFBDRO COc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353515558 146500641 /nfs/dbraw/zinc/50/06/41/146500641.db2.gz PPFIARKCNPDECH-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000355599737 147008058 /nfs/dbraw/zinc/00/80/58/147008058.db2.gz NZZZSZLBTYDHOM-HUUCEWRRSA-N 1 0 348.399 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355597899 147008080 /nfs/dbraw/zinc/00/80/80/147008080.db2.gz FTHJXZZEYPZFPB-CHWSQXEVSA-N 1 0 336.388 2.625 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000355765149 147056546 /nfs/dbraw/zinc/05/65/46/147056546.db2.gz YBPPSHRZJQPICH-CHWSQXEVSA-N 1 0 336.388 2.767 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355814562 147073457 /nfs/dbraw/zinc/07/34/57/147073457.db2.gz QZOXCIRHTCULJF-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356250394 147189005 /nfs/dbraw/zinc/18/90/05/147189005.db2.gz FOENSQATUKHHRN-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356285923 147200494 /nfs/dbraw/zinc/20/04/94/147200494.db2.gz VOBXRFQUMBEPOR-HIFRSBDPSA-N 1 0 346.431 2.725 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000356295676 147204280 /nfs/dbraw/zinc/20/42/80/147204280.db2.gz UXAXNLNJYYYFHY-FZKQIMNGSA-N 1 0 349.406 2.782 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000356617042 147291686 /nfs/dbraw/zinc/29/16/86/147291686.db2.gz IKYOOTMHXFQJFY-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000356749199 147326560 /nfs/dbraw/zinc/32/65/60/147326560.db2.gz WVQLTJHSMACJHK-LJQANCHMSA-N 1 0 341.411 2.952 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000356769942 147331386 /nfs/dbraw/zinc/33/13/86/147331386.db2.gz BFSXNWMSHYYTEW-LBPRGKRZSA-N 1 0 330.388 2.602 20 5 EFBDRO CC[N@H+](CCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1)CC1CC1 ZINC000356788804 147335481 /nfs/dbraw/zinc/33/54/81/147335481.db2.gz DKNMIPRQVZXHPE-UHFFFAOYSA-N 1 0 349.479 2.975 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356856807 147355985 /nfs/dbraw/zinc/35/59/85/147355985.db2.gz RNTCOBDGXNRHMV-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000356882786 147361648 /nfs/dbraw/zinc/36/16/48/147361648.db2.gz UQEYDRUALCUFAQ-JTQLQIEISA-N 1 0 349.774 2.876 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000356915957 147371259 /nfs/dbraw/zinc/37/12/59/147371259.db2.gz JNAQKQADOIVYGT-CQSZACIVSA-N 1 0 345.447 2.815 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357001613 147396559 /nfs/dbraw/zinc/39/65/59/147396559.db2.gz MRPYCDMFYBROLK-STQMWFEESA-N 1 0 330.388 2.774 20 5 EFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000357860825 147644145 /nfs/dbraw/zinc/64/41/45/147644145.db2.gz XATHFQGEWVKNPP-SUMWQHHRSA-N 1 0 344.415 2.663 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358700530 147873785 /nfs/dbraw/zinc/87/37/85/147873785.db2.gz YZMSUUFZYARJGD-UHFFFAOYSA-N 1 0 348.447 2.967 20 5 EFBDRO Cc1c(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000359281712 148045070 /nfs/dbraw/zinc/04/50/70/148045070.db2.gz IJHVBYDAKURORF-CQSZACIVSA-N 1 0 348.447 2.967 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000359368208 148068384 /nfs/dbraw/zinc/06/83/84/148068384.db2.gz ZEXOIUDVRADHQR-OAHLLOKOSA-N 1 0 331.420 2.704 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(OC)CCOC1 ZINC000359408149 148077502 /nfs/dbraw/zinc/07/75/02/148077502.db2.gz CJELTYQCUJGXTP-CZUORRHYSA-N 1 0 340.445 2.861 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CCOCC1 ZINC000359433452 148083979 /nfs/dbraw/zinc/08/39/79/148083979.db2.gz XBDVQMSLFAXNDO-PBHICJAKSA-N 1 0 336.432 2.683 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359536553 148113683 /nfs/dbraw/zinc/11/36/83/148113683.db2.gz XELCIRAKQDQMNE-OLZOCXBDSA-N 1 0 334.420 2.527 20 5 EFBDRO Cc1c(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000359534478 148114084 /nfs/dbraw/zinc/11/40/84/148114084.db2.gz RZHZIEBUVONHMW-INIZCTEOSA-N 1 0 348.447 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c(Cl)c1 ZINC000359577817 148128382 /nfs/dbraw/zinc/12/83/82/148128382.db2.gz HIQMHHCLHXDRFF-HNNXBMFYSA-N 1 0 328.796 2.515 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000359663212 148156388 /nfs/dbraw/zinc/15/63/88/148156388.db2.gz KGPMVGXODQCDGE-INIZCTEOSA-N 1 0 349.412 2.613 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359871167 148211647 /nfs/dbraw/zinc/21/16/47/148211647.db2.gz FVBMHANCWGOUSI-ZDUSSCGKSA-N 1 0 337.395 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCOCC3)o2)cc1 ZINC000359946907 148231353 /nfs/dbraw/zinc/23/13/53/148231353.db2.gz NBWGXGJRELVXLE-QGZVFWFLSA-N 1 0 346.383 2.732 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)C3CCOCC3)o2)c1 ZINC000359949449 148232277 /nfs/dbraw/zinc/23/22/77/148232277.db2.gz LZKXHWDNJRNDAU-KRWDZBQOSA-N 1 0 346.383 2.732 20 5 EFBDRO Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359966547 148237506 /nfs/dbraw/zinc/23/75/06/148237506.db2.gz PSPXLVSBGMCKFC-LLVKDONJSA-N 1 0 337.326 2.905 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000360391104 148349846 /nfs/dbraw/zinc/34/98/46/148349846.db2.gz BTEUPUNPHLAILA-RYUDHWBXSA-N 1 0 336.392 2.550 20 5 EFBDRO Cc1c(CNC(=O)c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000360516068 148381028 /nfs/dbraw/zinc/38/10/28/148381028.db2.gz RFBGPIWSJIZLBR-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CNc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000360939475 148496224 /nfs/dbraw/zinc/49/62/24/148496224.db2.gz XPTWMEBELIVATG-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC1(C)C[N@@H+](C2(CNc3ncc([N+](=O)[O-])cn3)CCCCC2)CCO1 ZINC000363888748 149027314 /nfs/dbraw/zinc/02/73/14/149027314.db2.gz XFXOQWKNWUWHPU-UHFFFAOYSA-N 1 0 349.435 2.610 20 5 EFBDRO CCOC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363965521 149038726 /nfs/dbraw/zinc/03/87/26/149038726.db2.gz ZDMAXOHIYHMFDH-ZIAGYGMSSA-N 1 0 333.388 2.810 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000364161104 149081118 /nfs/dbraw/zinc/08/11/18/149081118.db2.gz NEWHWJFKQBMHPZ-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364226205 149097179 /nfs/dbraw/zinc/09/71/79/149097179.db2.gz KTUBAWKISFVWLL-HWKANZROSA-N 1 0 332.400 2.880 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000364304440 149119785 /nfs/dbraw/zinc/11/97/85/149119785.db2.gz KJBIMOUEKJSOMY-KYJSFNMBSA-N 1 0 334.416 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000364312277 149122340 /nfs/dbraw/zinc/12/23/40/149122340.db2.gz WUAFRWVRJCAEAR-LNLFQRSKSA-N 1 0 346.427 2.844 20 5 EFBDRO CCOC(=O)c1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000364639925 149204768 /nfs/dbraw/zinc/20/47/68/149204768.db2.gz WAYIATFATDAGTJ-UHFFFAOYSA-N 1 0 347.415 2.836 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364643331 149206516 /nfs/dbraw/zinc/20/65/16/149206516.db2.gz UXDAHRDSEYNVHE-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1noc(C2(C)CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000364702171 149222905 /nfs/dbraw/zinc/22/29/05/149222905.db2.gz XYHVMPABMJDBJR-UHFFFAOYSA-N 1 0 346.387 2.719 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364732702 149229929 /nfs/dbraw/zinc/22/99/29/149229929.db2.gz GVHTXEBDLBVGKO-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000365155796 149332137 /nfs/dbraw/zinc/33/21/37/149332137.db2.gz LPHQLSFRWAQDSV-HNNXBMFYSA-N 1 0 347.415 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCO[C@@H]3C3CC3)o2)c1 ZINC000365206284 149343395 /nfs/dbraw/zinc/34/33/95/149343395.db2.gz XGXAMFYLFKHXNB-CRAIPNDOSA-N 1 0 343.383 2.949 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000365307675 149366049 /nfs/dbraw/zinc/36/60/49/149366049.db2.gz JKRBZWUTPNKIJQ-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000365308906 149367135 /nfs/dbraw/zinc/36/71/35/149367135.db2.gz NEKWMAHULJCQEY-ZDUSSCGKSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000367057467 149781850 /nfs/dbraw/zinc/78/18/50/149781850.db2.gz JUKVEHLETBBOMT-MRXNPFEDSA-N 1 0 347.415 2.862 20 5 EFBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000368135133 150047922 /nfs/dbraw/zinc/04/79/22/150047922.db2.gz OPSBFKRAGPBAGL-GFCCVEGCSA-N 1 0 329.356 2.552 20 5 EFBDRO COCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000368363426 150102242 /nfs/dbraw/zinc/10/22/42/150102242.db2.gz IMFSERQKIFOGDE-KRWDZBQOSA-N 1 0 348.443 2.949 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000368558678 150148121 /nfs/dbraw/zinc/14/81/21/150148121.db2.gz XOFIRRXNLKSNGH-UHFFFAOYSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368638962 150169261 /nfs/dbraw/zinc/16/92/61/150169261.db2.gz QQQZDKFNDLKXTN-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000368656983 150172088 /nfs/dbraw/zinc/17/20/88/150172088.db2.gz COQZSSOASMCITE-QETWALASSA-N 1 0 329.400 2.693 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC2 ZINC000368733446 150192724 /nfs/dbraw/zinc/19/27/24/150192724.db2.gz SJMAMWOCNSYBFH-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000368828879 150215476 /nfs/dbraw/zinc/21/54/76/150215476.db2.gz GXHHXOMNFUHGRG-CHWSQXEVSA-N 1 0 341.358 2.913 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000368828883 150216076 /nfs/dbraw/zinc/21/60/76/150216076.db2.gz GXHHXOMNFUHGRG-STQMWFEESA-N 1 0 341.358 2.913 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369481081 150366805 /nfs/dbraw/zinc/36/68/05/150366805.db2.gz WFFIXAOZDNQOGK-OAHLLOKOSA-N 1 0 346.431 2.753 20 5 EFBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000371716033 150877397 /nfs/dbraw/zinc/87/73/97/150877397.db2.gz MRPOCXPGKYTKEQ-BBRMVZONSA-N 1 0 330.388 2.883 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233480 151138306 /nfs/dbraw/zinc/13/83/06/151138306.db2.gz VXQQOFYNHMTUMZ-ZDUSSCGKSA-N 1 0 345.359 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000373322043 151153045 /nfs/dbraw/zinc/15/30/45/151153045.db2.gz UJQIDVOKLVKEAF-HNNXBMFYSA-N 1 0 328.315 2.543 20 5 EFBDRO Cc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000374150663 151291938 /nfs/dbraw/zinc/29/19/38/151291938.db2.gz HEPYFPCSXKNYHW-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374150844 151292070 /nfs/dbraw/zinc/29/20/70/151292070.db2.gz IBORXNNLIRSRIV-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000374256248 151310415 /nfs/dbraw/zinc/31/04/15/151310415.db2.gz NCLBMNPVWCGGTP-FUHWJXTLSA-N 1 0 344.415 2.725 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000374574555 151373151 /nfs/dbraw/zinc/37/31/51/151373151.db2.gz IIZNSTZCLONDCJ-KGLIPLIRSA-N 1 0 329.404 2.566 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000374574554 151373305 /nfs/dbraw/zinc/37/33/05/151373305.db2.gz IIZNSTZCLONDCJ-KBPBESRZSA-N 1 0 329.404 2.566 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c2c(c1)COCO2 ZINC000374597701 151377846 /nfs/dbraw/zinc/37/78/46/151377846.db2.gz WDOJCYCBNKKGHJ-AWEZNQCLSA-N 1 0 348.399 2.710 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000374642585 151387393 /nfs/dbraw/zinc/38/73/93/151387393.db2.gz ILDAVXVOBFOELY-IRXDYDNUSA-N 1 0 336.388 2.529 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378980 286263474 /nfs/dbraw/zinc/26/34/74/286263474.db2.gz KUWBLHXAGQIABA-GFCCVEGCSA-N 1 0 331.372 2.787 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000378602581 152124839 /nfs/dbraw/zinc/12/48/39/152124839.db2.gz XRMIMTZPEWEQJI-IJDCCNJMSA-N 1 0 339.395 2.934 20 5 EFBDRO O=C(CC[NH+]1CCC([C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378643693 152134962 /nfs/dbraw/zinc/13/49/62/152134962.db2.gz BBVHLCLZPRVPGG-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CN1C ZINC000408070390 152148729 /nfs/dbraw/zinc/14/87/29/152148729.db2.gz NDMAONSCLFCJDZ-MNOVXSKESA-N 1 0 333.413 2.974 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000408268639 152170618 /nfs/dbraw/zinc/17/06/18/152170618.db2.gz OEJMDFZMWTUBEV-MCIONIFRSA-N 1 0 346.431 2.654 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000408328884 152176520 /nfs/dbraw/zinc/17/65/20/152176520.db2.gz HOCSXJFEVMELFN-WBVHZDCISA-N 1 0 346.431 2.529 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000408331331 152177653 /nfs/dbraw/zinc/17/76/53/152177653.db2.gz QQKAQEGZPVYLQG-WBVHZDCISA-N 1 0 346.431 2.529 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000177514509 286381211 /nfs/dbraw/zinc/38/12/11/286381211.db2.gz YSTQINNKGXIWGC-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000452341800 286444430 /nfs/dbraw/zinc/44/44/30/286444430.db2.gz FLEBLJMQLGGEHB-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449585451 286921604 /nfs/dbraw/zinc/92/16/04/286921604.db2.gz FDABNZFNCJEWQX-OLZOCXBDSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159826841 225284687 /nfs/dbraw/zinc/28/46/87/225284687.db2.gz UQAIFMQWMABVPE-LJQANCHMSA-N 1 0 341.411 2.810 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000160180812 225355570 /nfs/dbraw/zinc/35/55/70/225355570.db2.gz MKGZBOVJJCNDQZ-RYUDHWBXSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000122783201 222157446 /nfs/dbraw/zinc/15/74/46/222157446.db2.gz QDGLGAMYHYLLCF-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000124244487 222397544 /nfs/dbraw/zinc/39/75/44/222397544.db2.gz PTAWQMFRNGHHLI-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000171634875 227188411 /nfs/dbraw/zinc/18/84/11/227188411.db2.gz GNZSZMVOWKKACB-CYBMUJFWSA-N 1 0 333.413 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH2+]C(C)C)CC1 ZINC000171692558 227225068 /nfs/dbraw/zinc/22/50/68/227225068.db2.gz DGXNROWGSLUYOA-UHFFFAOYSA-N 1 0 348.447 2.694 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114199303 544571112 /nfs/dbraw/zinc/57/11/12/544571112.db2.gz KJJZFNMGTBUDCZ-QWHCGFSZSA-N 1 0 345.403 2.589 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000085359719 264633917 /nfs/dbraw/zinc/63/39/17/264633917.db2.gz UGHPZMJXJIALJC-STQMWFEESA-N 1 0 336.436 2.931 20 5 EFBDRO COc1cccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185543597 265045309 /nfs/dbraw/zinc/04/53/09/265045309.db2.gz KMWQBRKKIRXYLE-KBPBESRZSA-N 1 0 337.420 2.905 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000186354808 265064139 /nfs/dbraw/zinc/06/41/39/265064139.db2.gz WHRNSCYBNOUHCP-SNVBAGLBSA-N 1 0 327.406 2.613 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000186448049 265067273 /nfs/dbraw/zinc/06/72/73/265067273.db2.gz MSKSALBVJLXZEY-ZFWWWQNUSA-N 1 0 335.404 2.736 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000188974112 265167239 /nfs/dbraw/zinc/16/72/39/265167239.db2.gz HTEJWVYDMIUXGX-QGZVFWFLSA-N 1 0 344.411 2.995 20 5 EFBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br ZINC000190399766 265222611 /nfs/dbraw/zinc/22/26/11/265222611.db2.gz RWBGCUYKYLLTKJ-UHFFFAOYSA-N 1 0 345.241 2.920 20 5 EFBDRO CSc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000192671182 265303246 /nfs/dbraw/zinc/30/32/46/265303246.db2.gz VBDFCRCEDSFFCZ-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270557269 265745386 /nfs/dbraw/zinc/74/53/86/265745386.db2.gz JJVVCXPMGGFLAO-LBPRGKRZSA-N 1 0 325.384 2.911 20 5 EFBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000270689681 265779582 /nfs/dbraw/zinc/77/95/82/265779582.db2.gz VOUKBVGNUCSDBZ-UHFFFAOYSA-N 1 0 343.387 2.599 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCSC1 ZINC000271025718 265880657 /nfs/dbraw/zinc/88/06/57/265880657.db2.gz BATRNUCFMMOSCJ-IUODEOHRSA-N 1 0 342.486 2.923 20 5 EFBDRO CCc1nn(C)c(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000271154230 265900540 /nfs/dbraw/zinc/90/05/40/265900540.db2.gz MNPCFDCVPHRDLL-UHFFFAOYSA-N 1 0 343.431 2.967 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000271653476 266033788 /nfs/dbraw/zinc/03/37/88/266033788.db2.gz JNEDUPHRWROKDF-CYBMUJFWSA-N 1 0 343.383 2.917 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271695374 266044178 /nfs/dbraw/zinc/04/41/78/266044178.db2.gz RRPVEKNPCBQCOX-INIZCTEOSA-N 1 0 346.383 2.696 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271761459 266055012 /nfs/dbraw/zinc/05/50/12/266055012.db2.gz MLQYWGKYUIZIEE-HUUCEWRRSA-N 1 0 338.795 2.547 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271821461 266069326 /nfs/dbraw/zinc/06/93/26/266069326.db2.gz CWIMHSUAWMMLTM-CYBMUJFWSA-N 1 0 332.404 2.525 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000271979641 266113731 /nfs/dbraw/zinc/11/37/31/266113731.db2.gz JCUVSGVBBZPDPF-CIISACIHSA-N 1 0 336.388 2.610 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000272026397 266127276 /nfs/dbraw/zinc/12/72/76/266127276.db2.gz NXXVLENJOXQORZ-KRWDZBQOSA-N 1 0 338.404 2.609 20 5 EFBDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000272140046 266166609 /nfs/dbraw/zinc/16/66/09/266166609.db2.gz BLHQDPXVNZWXIQ-UHFFFAOYSA-N 1 0 346.387 2.536 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272223821 266195945 /nfs/dbraw/zinc/19/59/45/266195945.db2.gz SLXUDYJHAYITEU-IINYFYTJSA-N 1 0 340.221 2.888 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272305354 266223429 /nfs/dbraw/zinc/22/34/29/266223429.db2.gz QNPJSOCNJABARY-YGRLFVJLSA-N 1 0 338.795 2.806 20 5 EFBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312604 266226579 /nfs/dbraw/zinc/22/65/79/266226579.db2.gz SASSYCXKNWSDLD-DZGCQCFKSA-N 1 0 329.404 2.651 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272449910 266269904 /nfs/dbraw/zinc/26/99/04/266269904.db2.gz CBILDYUKNJYFSP-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO CCC[N@H+](CC)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506342 266287758 /nfs/dbraw/zinc/28/77/58/266287758.db2.gz IFBVTPBYHYKVOR-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO CC(C)[N@H+](C)CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272532020 266296451 /nfs/dbraw/zinc/29/64/51/266296451.db2.gz NHXWPSYROMHDFF-QGZVFWFLSA-N 1 0 345.447 2.738 20 5 EFBDRO CC1CC[NH+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272583226 266315532 /nfs/dbraw/zinc/31/55/32/266315532.db2.gz RXXNCMFWEAPDHO-UHFFFAOYSA-N 1 0 341.358 2.535 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272595874 266319973 /nfs/dbraw/zinc/31/99/73/266319973.db2.gz UMHBKFLPQSCGJX-JJRVBVJISA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272612616 266326645 /nfs/dbraw/zinc/32/66/45/266326645.db2.gz WXVPEKZKSDDQBF-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000272643500 266337052 /nfs/dbraw/zinc/33/70/52/266337052.db2.gz OSKRXUIDKMMIRE-FZMZJTMJSA-N 1 0 329.356 2.507 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000272644846 266337511 /nfs/dbraw/zinc/33/75/11/266337511.db2.gz OTTHLZRNAZGSBE-CYBMUJFWSA-N 1 0 337.445 2.581 20 5 EFBDRO Cc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272841734 266396100 /nfs/dbraw/zinc/39/61/00/266396100.db2.gz NCVFGPWEUWIHAB-LLVKDONJSA-N 1 0 326.356 2.627 20 5 EFBDRO C[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272972530 266429532 /nfs/dbraw/zinc/42/95/32/266429532.db2.gz HUIABPPYKNKQFV-AWEZNQCLSA-N 1 0 345.321 2.733 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCCO)CC1 ZINC000273023003 266438531 /nfs/dbraw/zinc/43/85/31/266438531.db2.gz SKMXFOBVKAPAJN-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO[C@@H]1C1CC1 ZINC000273052914 266443966 /nfs/dbraw/zinc/44/39/66/266443966.db2.gz KTVGKAWZWZGSHQ-SJORKVTESA-N 1 0 334.372 2.509 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273518327 266511657 /nfs/dbraw/zinc/51/16/57/266511657.db2.gz YFSKPHNKDMBEMO-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108329815 273009174 /nfs/dbraw/zinc/00/91/74/273009174.db2.gz XXFDMQBVUKWRDC-CHWSQXEVSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000276758979 267044378 /nfs/dbraw/zinc/04/43/78/267044378.db2.gz UNWQNOIACURJCH-ZDUSSCGKSA-N 1 0 339.395 2.774 20 5 EFBDRO CCOc1cc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276899107 267071414 /nfs/dbraw/zinc/07/14/14/267071414.db2.gz LLUCUFLNBFSWCX-TZMCWYRMSA-N 1 0 336.388 2.625 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000276911463 267075034 /nfs/dbraw/zinc/07/50/34/267075034.db2.gz PBLNMMYPCXIFKN-NWDGAFQWSA-N 1 0 325.434 2.532 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000276962908 267086201 /nfs/dbraw/zinc/08/62/01/267086201.db2.gz MRVNYAUKKRVYMA-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000276982436 267092005 /nfs/dbraw/zinc/09/20/05/267092005.db2.gz SYVZWSJUPLNSMG-UHFFFAOYSA-N 1 0 349.431 2.860 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277004222 267097131 /nfs/dbraw/zinc/09/71/31/267097131.db2.gz KHXOXKJMLQPKMN-XJKSGUPXSA-N 1 0 347.415 2.692 20 5 EFBDRO CC(C)(CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000277142974 267120345 /nfs/dbraw/zinc/12/03/45/267120345.db2.gz GXDWQQDGPGLMEG-UHFFFAOYSA-N 1 0 341.358 2.725 20 5 EFBDRO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000277259427 267141657 /nfs/dbraw/zinc/14/16/57/267141657.db2.gz MXKWVSBNRIHDBT-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000277510735 267189926 /nfs/dbraw/zinc/18/99/26/267189926.db2.gz ACMAUKBKEAVJCW-KWQFWETISA-N 1 0 330.310 2.903 20 5 EFBDRO C[C@@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612045 267211893 /nfs/dbraw/zinc/21/18/93/267211893.db2.gz AUUSWTNCLRVRJS-CYBMUJFWSA-N 1 0 341.839 2.839 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277747019 267251717 /nfs/dbraw/zinc/25/17/17/267251717.db2.gz LFYPFISDLXKGSV-RISCZKNCSA-N 1 0 348.321 2.609 20 5 EFBDRO COc1cc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000277981658 267314390 /nfs/dbraw/zinc/31/43/90/267314390.db2.gz VUJZMINGNPTOIJ-UHFFFAOYSA-N 1 0 335.404 2.898 20 5 EFBDRO CCOC1CC(O)(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000278118414 267346667 /nfs/dbraw/zinc/34/66/67/267346667.db2.gz YAJOEHUUGNPFSE-UHFFFAOYSA-N 1 0 331.372 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1NCC1([NH+]3CCCC3)CCOCC1)CCN2 ZINC000278160781 267356999 /nfs/dbraw/zinc/35/69/99/267356999.db2.gz CBEFTWTVWIBLSN-UHFFFAOYSA-N 1 0 346.431 2.620 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278255956 267382147 /nfs/dbraw/zinc/38/21/47/267382147.db2.gz NCDLAFAYWBZHBO-INIZCTEOSA-N 1 0 333.388 2.793 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000278506891 267463063 /nfs/dbraw/zinc/46/30/63/267463063.db2.gz IZOYYDDNXIHEES-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000181535538 273044647 /nfs/dbraw/zinc/04/46/47/273044647.db2.gz ROCCYFYELOIXJW-LBPRGKRZSA-N 1 0 341.367 2.540 20 5 EFBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181858851 273045466 /nfs/dbraw/zinc/04/54/66/273045466.db2.gz XQHDITZMMRJCME-HOCLYGCPSA-N 1 0 342.395 2.954 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000187042306 273051714 /nfs/dbraw/zinc/05/17/14/273051714.db2.gz XGSANIMJTKYWJF-HZPDHXFCSA-N 1 0 349.431 2.767 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193835883 273065332 /nfs/dbraw/zinc/06/53/32/273065332.db2.gz HLCRGBNEZSYCHR-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000269642212 273086944 /nfs/dbraw/zinc/08/69/44/273086944.db2.gz JSRNQHOTULLMKC-HYVNUMGLSA-N 1 0 346.383 2.809 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269670809 273088248 /nfs/dbraw/zinc/08/82/48/273088248.db2.gz REHBISFXRPDTBE-UHFFFAOYSA-N 1 0 346.475 2.585 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000269813979 273092381 /nfs/dbraw/zinc/09/23/81/273092381.db2.gz GOISMIPVMDZMJN-UHFFFAOYSA-N 1 0 335.404 2.916 20 5 EFBDRO COc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271113068 273098496 /nfs/dbraw/zinc/09/84/96/273098496.db2.gz VINMAGTUUKYCBC-ZDUSSCGKSA-N 1 0 337.395 2.911 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000271124076 273099682 /nfs/dbraw/zinc/09/96/82/273099682.db2.gz KFZJOUNVBIOFBS-GFCCVEGCSA-N 1 0 325.434 2.533 20 5 EFBDRO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272680417 273113907 /nfs/dbraw/zinc/11/39/07/273113907.db2.gz SCDJPCMVYWBWCX-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000273653979 273116564 /nfs/dbraw/zinc/11/65/64/273116564.db2.gz UZNSNCITCOGHEA-UHFFFAOYSA-N 1 0 327.388 2.709 20 5 EFBDRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273808203 273120391 /nfs/dbraw/zinc/12/03/91/273120391.db2.gz AJNMHUJKFBCLQU-LBPRGKRZSA-N 1 0 349.406 2.612 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000274269658 273128795 /nfs/dbraw/zinc/12/87/95/273128795.db2.gz MFWNGUULHUMXSO-ZDUSSCGKSA-N 1 0 332.404 2.984 20 5 EFBDRO CCC1(CC)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000274282323 273130035 /nfs/dbraw/zinc/13/00/35/273130035.db2.gz DJJCWVDLBBLTRN-UHFFFAOYSA-N 1 0 337.445 2.801 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274288953 273130749 /nfs/dbraw/zinc/13/07/49/273130749.db2.gz XUOFJTWOOHYRDM-UHFFFAOYSA-N 1 0 348.428 2.628 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000274303727 273131102 /nfs/dbraw/zinc/13/11/02/273131102.db2.gz OTPKGHPEFNRMKB-HZSPNIEDSA-N 1 0 340.445 2.783 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000277148391 273148460 /nfs/dbraw/zinc/14/84/60/273148460.db2.gz ILDGBFUHZVBQRH-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278291166 273161357 /nfs/dbraw/zinc/16/13/57/273161357.db2.gz GCJMYOGDBBAPMP-UHFFFAOYSA-N 1 0 332.326 2.929 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278989600 273163882 /nfs/dbraw/zinc/16/38/82/273163882.db2.gz DSRBRFWIRSNIEX-BLLLJJGKSA-N 1 0 331.416 2.918 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278991646 273164099 /nfs/dbraw/zinc/16/40/99/273164099.db2.gz FEAZGRPDFKDVDA-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279044386 273169883 /nfs/dbraw/zinc/16/98/83/273169883.db2.gz JPDFBJCVTBLJPF-LRDDRELGSA-N 1 0 341.415 2.822 20 5 EFBDRO CCc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279128529 273179933 /nfs/dbraw/zinc/17/99/33/273179933.db2.gz WRZJOWMEIGNVSM-UHFFFAOYSA-N 1 0 331.416 2.761 20 5 EFBDRO C[NH+]1CCC(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279170174 273184294 /nfs/dbraw/zinc/18/42/94/273184294.db2.gz CKLLNFJZDZQIGH-UHFFFAOYSA-N 1 0 345.321 2.572 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000279198514 273187332 /nfs/dbraw/zinc/18/73/32/273187332.db2.gz FSXIMVWPJWRZBQ-IAOVAPTHSA-N 1 0 332.400 2.911 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279295577 273199129 /nfs/dbraw/zinc/19/91/29/273199129.db2.gz ZFUXQXXQDHOSCV-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279669586 273240153 /nfs/dbraw/zinc/24/01/53/273240153.db2.gz FNYFOAOTEOKIIN-OAHLLOKOSA-N 1 0 337.807 2.833 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279690866 273242587 /nfs/dbraw/zinc/24/25/87/273242587.db2.gz UKCSBGRNAXHKRV-UHFFFAOYSA-N 1 0 345.802 2.778 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279695292 273243169 /nfs/dbraw/zinc/24/31/69/273243169.db2.gz GLRHRTHTQGXDFH-GXTWGEPZSA-N 1 0 346.387 2.770 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000279781631 273252818 /nfs/dbraw/zinc/25/28/18/273252818.db2.gz LIMAVSAJMVEFKR-LBPRGKRZSA-N 1 0 325.796 2.596 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810993 273255975 /nfs/dbraw/zinc/25/59/75/273255975.db2.gz PWFZPCRLOJWGIQ-WFASDCNBSA-N 1 0 346.387 2.770 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000279999169 273279451 /nfs/dbraw/zinc/27/94/51/273279451.db2.gz RSLVVGGAEAZTHB-XBFCOCLRSA-N 1 0 336.388 2.671 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)o1 ZINC000280150539 273296325 /nfs/dbraw/zinc/29/63/25/273296325.db2.gz AHEQVTRBULHHNX-KBPBESRZSA-N 1 0 346.383 2.589 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CC[C@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199190 273301427 /nfs/dbraw/zinc/30/14/27/273301427.db2.gz IVEMEYCTAUYNMT-HOCLYGCPSA-N 1 0 349.431 2.683 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280244413 273306505 /nfs/dbraw/zinc/30/65/05/273306505.db2.gz BCOZOCGJTHPSCE-KRWDZBQOSA-N 1 0 335.404 2.814 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280295397 273312561 /nfs/dbraw/zinc/31/25/61/273312561.db2.gz UZJSZRDWMRZDOO-INIZCTEOSA-N 1 0 349.431 2.685 20 5 EFBDRO Cc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c(C)c1 ZINC000280298595 273312821 /nfs/dbraw/zinc/31/28/21/273312821.db2.gz FNMXMNKQGZNQFY-MRXNPFEDSA-N 1 0 341.411 2.863 20 5 EFBDRO Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000280436420 273327841 /nfs/dbraw/zinc/32/78/41/273327841.db2.gz KCADUAMBAYZTRG-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO Cc1c(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000280532893 273337937 /nfs/dbraw/zinc/33/79/37/273337937.db2.gz PASZVYQEQATCSL-KRWDZBQOSA-N 1 0 327.384 2.952 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536578 273338356 /nfs/dbraw/zinc/33/83/56/273338356.db2.gz PKJBSBGRTAQIMK-SUMWQHHRSA-N 1 0 335.404 2.813 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)c(Br)c1 ZINC000280819705 273370322 /nfs/dbraw/zinc/37/03/22/273370322.db2.gz DRAMGOOVXYISRC-UHFFFAOYSA-N 1 0 341.209 2.793 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281075391 273398098 /nfs/dbraw/zinc/39/80/98/273398098.db2.gz UAHWWGSBIKMSAA-INIZCTEOSA-N 1 0 343.383 2.660 20 5 EFBDRO C[NH+](C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000281294495 273420612 /nfs/dbraw/zinc/42/06/12/273420612.db2.gz JKRBCAUYFKXXLH-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000281619267 273452891 /nfs/dbraw/zinc/45/28/91/273452891.db2.gz FSAIDLYHXVHVLY-UHFFFAOYSA-N 1 0 341.358 2.631 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282571269 273582358 /nfs/dbraw/zinc/58/23/58/273582358.db2.gz AJVVGNREAUDGEI-LLVKDONJSA-N 1 0 340.399 2.556 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282610672 273588664 /nfs/dbraw/zinc/58/86/64/273588664.db2.gz NNTKIEFTDUQFCV-SNVBAGLBSA-N 1 0 326.303 2.571 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225266 273638429 /nfs/dbraw/zinc/63/84/29/273638429.db2.gz CNNNGCPIGNYJSS-ZDUSSCGKSA-N 1 0 339.411 2.906 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000452034948 273703232 /nfs/dbraw/zinc/70/32/32/273703232.db2.gz MPEBXGFFJXXIRK-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451946875 273704278 /nfs/dbraw/zinc/70/42/78/273704278.db2.gz NFWAYZYTMFSAKQ-CHWSQXEVSA-N 1 0 334.294 2.507 20 5 EFBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000118752785 273724403 /nfs/dbraw/zinc/72/44/03/273724403.db2.gz UTBXQNPDCNHBBV-GFCCVEGCSA-N 1 0 347.337 2.507 20 5 EFBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000075711135 273724441 /nfs/dbraw/zinc/72/44/41/273724441.db2.gz XTGHFEDYNZJSQK-GFCCVEGCSA-N 1 0 347.337 2.507 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000283599433 273735311 /nfs/dbraw/zinc/73/53/11/273735311.db2.gz MJZLZUFQFJVNPI-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO Nc1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000283696384 273747276 /nfs/dbraw/zinc/74/72/76/273747276.db2.gz ZNUYRLCTYCIWMM-UHFFFAOYSA-N 1 0 326.400 2.542 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284035936 273789070 /nfs/dbraw/zinc/78/90/70/273789070.db2.gz JNDCIFIBFRPXJG-LLVKDONJSA-N 1 0 330.344 2.979 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411096169 273794043 /nfs/dbraw/zinc/79/40/43/273794043.db2.gz IMNVSYLACHZDEP-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000339028300 273814694 /nfs/dbraw/zinc/81/46/94/273814694.db2.gz BFKUFHUMJCKGHW-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285324106 273979697 /nfs/dbraw/zinc/97/96/97/273979697.db2.gz TZSGTMOSNJHMSH-XJKSGUPXSA-N 1 0 329.400 2.740 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000285355128 273984629 /nfs/dbraw/zinc/98/46/29/273984629.db2.gz ABOPNSMAMFVKOB-OCCSQVGLSA-N 1 0 330.388 2.795 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358840 273985223 /nfs/dbraw/zinc/98/52/23/273985223.db2.gz VONVSMSEMMGKIW-XHDPSFHLSA-N 1 0 333.363 2.570 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000425283859 274017152 /nfs/dbraw/zinc/01/71/52/274017152.db2.gz UIMTXWSZWPAYAZ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000285531280 274019053 /nfs/dbraw/zinc/01/90/53/274019053.db2.gz KXVRUJRZRDUNHX-INIZCTEOSA-N 1 0 339.367 2.611 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000285534681 274020058 /nfs/dbraw/zinc/02/00/58/274020058.db2.gz QABWZQBDWVBUIV-UHFFFAOYSA-N 1 0 346.836 2.695 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285572134 274028127 /nfs/dbraw/zinc/02/81/27/274028127.db2.gz NUOBYVUHAGAKPH-AWEZNQCLSA-N 1 0 348.321 2.753 20 5 EFBDRO Nc1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000285612613 274037572 /nfs/dbraw/zinc/03/75/72/274037572.db2.gz MJBCRGFTJWGSHT-HNNXBMFYSA-N 1 0 348.428 2.724 20 5 EFBDRO CN(CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285685529 274052637 /nfs/dbraw/zinc/05/26/37/274052637.db2.gz OEXDVMCGQFZSJP-SFHVURJKSA-N 1 0 347.415 2.675 20 5 EFBDRO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000285785032 274074393 /nfs/dbraw/zinc/07/43/93/274074393.db2.gz OKGYEJLAKCVXEF-AXFHLTTASA-N 1 0 331.376 2.671 20 5 EFBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000285792298 274076090 /nfs/dbraw/zinc/07/60/90/274076090.db2.gz MISZPRPAYYJAGS-DOMZBBRYSA-N 1 0 347.415 2.611 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248639029 274093134 /nfs/dbraw/zinc/09/31/34/274093134.db2.gz WLHPJGWYTOQSNK-XHDPSFHLSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])cc1F ZINC000429319584 274094416 /nfs/dbraw/zinc/09/44/16/274094416.db2.gz SBMFBUIJXMJPTG-GFCCVEGCSA-N 1 0 332.331 2.705 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286008587 274116313 /nfs/dbraw/zinc/11/63/13/274116313.db2.gz DXCDCWKNPYSOHL-UHFFFAOYSA-N 1 0 335.433 2.909 20 5 EFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000286078352 274129308 /nfs/dbraw/zinc/12/93/08/274129308.db2.gz JYLTVMCFOARMMF-OAHLLOKOSA-N 1 0 337.420 2.883 20 5 EFBDRO CN1CCC([NH+]2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000286176192 274147771 /nfs/dbraw/zinc/14/77/71/274147771.db2.gz JBHZBNYPMKXYRN-UHFFFAOYSA-N 1 0 336.411 2.704 20 5 EFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000286194095 274151506 /nfs/dbraw/zinc/15/15/06/274151506.db2.gz AZKOIRYLVHNOLH-IRXDYDNUSA-N 1 0 333.432 2.588 20 5 EFBDRO COc1nccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373561 274170094 /nfs/dbraw/zinc/17/00/94/274170094.db2.gz RYORVFKZNFDYOU-XJKSGUPXSA-N 1 0 342.399 2.894 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000286295819 274171852 /nfs/dbraw/zinc/17/18/52/274171852.db2.gz SDPSZCDRNKHXOV-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286519453 274217494 /nfs/dbraw/zinc/21/74/94/274217494.db2.gz BGNUWPWTERPCKX-OAHLLOKOSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286519449 274217615 /nfs/dbraw/zinc/21/76/15/274217615.db2.gz BGNUWPWTERPCKX-HNNXBMFYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@@H](F)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000351998034 274233448 /nfs/dbraw/zinc/23/34/48/274233448.db2.gz ZRIRWCMNDCZDCY-GFCCVEGCSA-N 1 0 335.383 2.731 20 5 EFBDRO COc1ccc(OCCN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286715211 274257943 /nfs/dbraw/zinc/25/79/43/274257943.db2.gz CBZOUJCPZMXXAC-GDBMZVCRSA-N 1 0 349.431 2.541 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286823156 274280396 /nfs/dbraw/zinc/28/03/96/274280396.db2.gz CLDVLTLTTYKOCM-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000286846284 274285565 /nfs/dbraw/zinc/28/55/65/274285565.db2.gz XPNGQYRXLJKFKM-CVEARBPZSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286891974 274294588 /nfs/dbraw/zinc/29/45/88/274294588.db2.gz LGBHESGHIXBYAB-DYVFJYSZSA-N 1 0 347.415 2.520 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286892007 274294656 /nfs/dbraw/zinc/29/46/56/274294656.db2.gz LGBHESGHIXBYAB-SUMWQHHRSA-N 1 0 347.415 2.520 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357735608 274295117 /nfs/dbraw/zinc/29/51/17/274295117.db2.gz YLXOMFAKZVJPOU-UONOGXRCSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000248550294 274296006 /nfs/dbraw/zinc/29/60/06/274296006.db2.gz GEMYVWXPWMSMAD-MCBXIFIFSA-N 1 0 331.416 2.898 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000286904906 274297377 /nfs/dbraw/zinc/29/73/77/274297377.db2.gz PGSZNLGYXMXQEO-SJORKVTESA-N 1 0 349.456 2.813 20 5 EFBDRO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000286918387 274300284 /nfs/dbraw/zinc/30/02/84/274300284.db2.gz KOPRADFHEJFZGZ-PBWFPOADSA-N 1 0 332.404 2.992 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286938074 274305063 /nfs/dbraw/zinc/30/50/63/274305063.db2.gz LWDLXQUKHPXPMZ-DOMZBBRYSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287000921 274319349 /nfs/dbraw/zinc/31/93/49/274319349.db2.gz HJGFTYULMNGEPV-RISCZKNCSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000287019568 274323553 /nfs/dbraw/zinc/32/35/53/274323553.db2.gz IERZLYSKMPBSBO-MLGOLLRUSA-N 1 0 343.387 2.803 20 5 EFBDRO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+](C2CC2)C1 ZINC000452171387 274330280 /nfs/dbraw/zinc/33/02/80/274330280.db2.gz KMYVDURTNCRBCN-LBPRGKRZSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287138924 274351652 /nfs/dbraw/zinc/35/16/52/274351652.db2.gz ZCZKHAUXYPXUMS-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@](F)(CO)C3)o2)c1 ZINC000287171596 274359633 /nfs/dbraw/zinc/35/96/33/274359633.db2.gz ZPVPHEJGPHKKEF-KRWDZBQOSA-N 1 0 349.362 2.589 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000287267643 274381734 /nfs/dbraw/zinc/38/17/34/274381734.db2.gz CIHMHAOHOQISHN-MGPQQGTHSA-N 1 0 335.404 2.574 20 5 EFBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413156849 274492472 /nfs/dbraw/zinc/49/24/72/274492472.db2.gz SOIRVDKKMCCAHT-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000288189373 274544633 /nfs/dbraw/zinc/54/46/33/274544633.db2.gz RRVHRSIECHXZHU-UHFFFAOYSA-N 1 0 344.419 2.591 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288485877 274602726 /nfs/dbraw/zinc/60/27/26/274602726.db2.gz RFVLSGUNIYLELI-OCCSQVGLSA-N 1 0 342.399 2.775 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000362671711 274658267 /nfs/dbraw/zinc/65/82/67/274658267.db2.gz LBPNKUVWURTPLT-NXEZZACHSA-N 1 0 343.225 2.955 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627977 274686779 /nfs/dbraw/zinc/68/67/79/274686779.db2.gz RKVPGZNNCJCNPW-AWEZNQCLSA-N 1 0 325.368 2.742 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000289290102 274735933 /nfs/dbraw/zinc/73/59/33/274735933.db2.gz HAXQTZQSECBZLH-HZPDHXFCSA-N 1 0 347.415 2.521 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000289533839 274777831 /nfs/dbraw/zinc/77/78/31/274777831.db2.gz WHTNQMZGUXJHSH-AEFFLSMTSA-N 1 0 347.459 2.618 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000289533851 274777987 /nfs/dbraw/zinc/77/79/87/274777987.db2.gz WHTNQMZGUXJHSH-SJLPKXTDSA-N 1 0 347.459 2.618 20 5 EFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000357860811 274809578 /nfs/dbraw/zinc/80/95/78/274809578.db2.gz XATHFQGEWVKNPP-CXAGYDPISA-N 1 0 344.415 2.663 20 5 EFBDRO Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346812365 274856789 /nfs/dbraw/zinc/85/67/89/274856789.db2.gz WMBSXFBFBVFNNB-XJKSGUPXSA-N 1 0 342.399 2.900 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2N1 ZINC000263763279 275018699 /nfs/dbraw/zinc/01/86/99/275018699.db2.gz VFHYUFXVXFSKNF-SWLSCSKDSA-N 1 0 330.388 2.518 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000161881956 275032566 /nfs/dbraw/zinc/03/25/66/275032566.db2.gz ARFIIMJGZPRYBB-YPMHNXCESA-N 1 0 347.444 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000180194625 275035170 /nfs/dbraw/zinc/03/51/70/275035170.db2.gz ILFWTSFUDWJALT-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNCC[NH+]3CCCC3)cs2)c1 ZINC000172112225 275039240 /nfs/dbraw/zinc/03/92/40/275039240.db2.gz FILMHZRCWOKWEJ-UHFFFAOYSA-N 1 0 332.429 2.904 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000344816151 275398274 /nfs/dbraw/zinc/39/82/74/275398274.db2.gz CAWJTESYNUCLDX-PTNGSMBKSA-N 1 0 333.432 2.699 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000162900851 275984893 /nfs/dbraw/zinc/98/48/93/275984893.db2.gz CITSPDSSDJEFNN-SNVBAGLBSA-N 1 0 333.310 2.861 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342845617 276100708 /nfs/dbraw/zinc/10/07/08/276100708.db2.gz HMYWSPUDCLCDLK-ZDUSSCGKSA-N 1 0 325.384 2.671 20 5 EFBDRO CC1(C)CCCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565130 276105006 /nfs/dbraw/zinc/10/50/06/276105006.db2.gz IXQRTDNKDBHGSL-CVEARBPZSA-N 1 0 349.479 2.987 20 5 EFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000262167689 276671426 /nfs/dbraw/zinc/67/14/26/276671426.db2.gz HMSLUVNJVKMLRG-AWEZNQCLSA-N 1 0 329.356 2.537 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153901579 276785327 /nfs/dbraw/zinc/78/53/27/276785327.db2.gz MGCUBOXQQNDUJM-UHFFFAOYSA-N 1 0 342.827 2.580 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033026596 276789555 /nfs/dbraw/zinc/78/95/55/276789555.db2.gz ZAIUSFGPPKADOM-CQSZACIVSA-N 1 0 333.413 2.618 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000343972336 277017991 /nfs/dbraw/zinc/01/79/91/277017991.db2.gz DSPBEVMHIFTHEY-HZCDGDGTSA-N 1 0 331.416 2.892 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000338740028 277072878 /nfs/dbraw/zinc/07/28/78/277072878.db2.gz ACAONQFCFRDEBI-QGZVFWFLSA-N 1 0 343.387 2.567 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342954407 277181515 /nfs/dbraw/zinc/18/15/15/277181515.db2.gz BSKQZGCOKSBVTR-WFASDCNBSA-N 1 0 342.399 2.632 20 5 EFBDRO C[NH2+]CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000234358041 277266234 /nfs/dbraw/zinc/26/62/34/277266234.db2.gz UKDSBRYEJUOCPM-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO CC(C)([NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000236634567 277307823 /nfs/dbraw/zinc/30/78/23/277307823.db2.gz ADEVSJZEMMEHOU-UHFFFAOYSA-N 1 0 342.399 2.674 20 5 EFBDRO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000344981180 277355008 /nfs/dbraw/zinc/35/50/08/277355008.db2.gz HMMOTPZQXHEYLI-DGCLKSJQSA-N 1 0 329.356 2.839 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000136652258 277570469 /nfs/dbraw/zinc/57/04/69/277570469.db2.gz OYVFUTHLFSJZRU-LKFCYVNXSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000120704971 277586631 /nfs/dbraw/zinc/58/66/31/277586631.db2.gz HJWDHYUSVNIFKV-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000179644573 277814706 /nfs/dbraw/zinc/81/47/06/277814706.db2.gz NQQGHFWSHCFTAU-HNNXBMFYSA-N 1 0 349.431 2.672 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000338660172 277937151 /nfs/dbraw/zinc/93/71/51/277937151.db2.gz WVSRXDSFGISDHS-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000343972337 278071503 /nfs/dbraw/zinc/07/15/03/278071503.db2.gz DSPBEVMHIFTHEY-VFAJRCTISA-N 1 0 331.416 2.892 20 5 EFBDRO CS[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000340733967 278168037 /nfs/dbraw/zinc/16/80/37/278168037.db2.gz BUGCZPRRWBVHBC-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H](CCCC[NH3+])N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423435513 278169043 /nfs/dbraw/zinc/16/90/43/278169043.db2.gz OTFJCEDXZNBNAB-CZUORRHYSA-N 1 0 331.420 2.525 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153440190 278197247 /nfs/dbraw/zinc/19/72/47/278197247.db2.gz JNQUAFJHYAPHJC-MJBXVCDLSA-N 1 0 331.416 2.741 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000182093613 278241737 /nfs/dbraw/zinc/24/17/37/278241737.db2.gz AHCRDQXRNUDXPA-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360047759 278713403 /nfs/dbraw/zinc/71/34/03/278713403.db2.gz NMDWHWYLZSSRIE-LLVKDONJSA-N 1 0 347.337 2.689 20 5 EFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000112926526 279032928 /nfs/dbraw/zinc/03/29/28/279032928.db2.gz XWKJRCXLRWCKTN-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000449154067 279382420 /nfs/dbraw/zinc/38/24/20/279382420.db2.gz LROFWALKKPWMNI-FVQBIDKESA-N 1 0 333.432 2.762 20 5 EFBDRO CCN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449520975 279462542 /nfs/dbraw/zinc/46/25/42/279462542.db2.gz TUNGHZRARJPUGF-FVQBIDKESA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472925 280105428 /nfs/dbraw/zinc/10/54/28/280105428.db2.gz WGUCYPSGHXHJFX-CABZTGNLSA-N 1 0 345.321 2.826 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420285070 280373312 /nfs/dbraw/zinc/37/33/12/280373312.db2.gz ZEFPRBNKCVAIRZ-KBPBESRZSA-N 1 0 326.400 2.969 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000268817243 281009976 /nfs/dbraw/zinc/00/99/76/281009976.db2.gz NZABXNQBYNBTNT-GASCZTMLSA-N 1 0 348.447 2.624 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000343693095 281012362 /nfs/dbraw/zinc/01/23/62/281012362.db2.gz ABDFOFBGBBOHSJ-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000354379660 281360707 /nfs/dbraw/zinc/36/07/07/281360707.db2.gz BVXLRQXJTYRZHN-MLGOLLRUSA-N 1 0 330.388 2.653 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057004600 292660823 /nfs/dbraw/zinc/66/08/23/292660823.db2.gz LWAQSVSJACVBGR-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000067725105 292698638 /nfs/dbraw/zinc/69/86/38/292698638.db2.gz MEGSLVDBKUYZIE-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000421681604 289063286 /nfs/dbraw/zinc/06/32/86/289063286.db2.gz YJTQHUWWJRUMOW-UHFFFAOYSA-N 1 0 337.445 2.676 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000072926672 292721446 /nfs/dbraw/zinc/72/14/46/292721446.db2.gz XJPFOQMZXRQHFZ-WBVHZDCISA-N 1 0 338.404 2.905 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000072926670 292721478 /nfs/dbraw/zinc/72/14/78/292721478.db2.gz XJPFOQMZXRQHFZ-NVXWUHKLSA-N 1 0 338.404 2.905 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177725795 289380322 /nfs/dbraw/zinc/38/03/22/289380322.db2.gz LKLJYYVYGQMDSS-QWRGUYRKSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)CCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000081012055 292810123 /nfs/dbraw/zinc/81/01/23/292810123.db2.gz OIYQRSUZJPTHRG-UHFFFAOYSA-N 1 0 328.416 2.991 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000081551891 292817269 /nfs/dbraw/zinc/81/72/69/292817269.db2.gz LLUVAHFSSVBKRP-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123604068 292983299 /nfs/dbraw/zinc/98/32/99/292983299.db2.gz UJRFVLKKMZGZNR-UHFFFAOYSA-N 1 0 333.310 2.685 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000126288573 293034577 /nfs/dbraw/zinc/03/45/77/293034577.db2.gz ULCSFVPGUSOTHS-GFCCVEGCSA-N 1 0 325.434 2.631 20 5 EFBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000126834192 293051146 /nfs/dbraw/zinc/05/11/46/293051146.db2.gz TXGSWFZRZYUGOE-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126864667 293052470 /nfs/dbraw/zinc/05/24/70/293052470.db2.gz YYKOPVJMMUVBSX-YVZNUBBCSA-N 1 0 347.390 2.691 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129381020 293132297 /nfs/dbraw/zinc/13/22/97/293132297.db2.gz NDYJHEOUMAVMMF-HNNXBMFYSA-N 1 0 344.415 2.561 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000129501055 293136136 /nfs/dbraw/zinc/13/61/36/293136136.db2.gz QHMUVLNJDXOOGE-UXBLZVDNSA-N 1 0 349.406 2.984 20 5 EFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000289873387 293933912 /nfs/dbraw/zinc/93/39/12/293933912.db2.gz VWCHHHWBNGWGPD-DZGCQCFKSA-N 1 0 349.431 2.671 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290166775 294016719 /nfs/dbraw/zinc/01/67/19/294016719.db2.gz MIJACIGKAQTQJW-BBRMVZONSA-N 1 0 343.387 2.558 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290204064 294026482 /nfs/dbraw/zinc/02/64/82/294026482.db2.gz RPRIGGHGVKEPHE-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OC ZINC000290301542 294050931 /nfs/dbraw/zinc/05/09/31/294050931.db2.gz BJYKVXRETSKWHK-QGZVFWFLSA-N 1 0 338.404 2.739 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290339237 294061066 /nfs/dbraw/zinc/06/10/66/294061066.db2.gz FLAWIWXNFLSUGC-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290339245 294061143 /nfs/dbraw/zinc/06/11/43/294061143.db2.gz FLAWIWXNFLSUGC-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290339267 294061168 /nfs/dbraw/zinc/06/11/68/294061168.db2.gz FLAWIWXNFLSUGC-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290352242 294064375 /nfs/dbraw/zinc/06/43/75/294064375.db2.gz GBAKYCYNVIWKGG-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO COc1cc(C[N@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000290370469 294069449 /nfs/dbraw/zinc/06/94/49/294069449.db2.gz HKYSXUHUVDMFCD-UHFFFAOYSA-N 1 0 348.403 2.639 20 5 EFBDRO C[N@H+](C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 ZINC000290742650 294172595 /nfs/dbraw/zinc/17/25/95/294172595.db2.gz HMVSZTTYSZSXMC-LLVKDONJSA-N 1 0 339.442 2.752 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000290851336 294203052 /nfs/dbraw/zinc/20/30/52/294203052.db2.gz XJMBZEUBIYFJAT-WMLDXEAASA-N 1 0 332.400 2.599 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@@H+]1C1CC1 ZINC000290871181 294207928 /nfs/dbraw/zinc/20/79/28/294207928.db2.gz ZQTRZHYGDSYEQJ-VXGBXAGGSA-N 1 0 346.387 2.589 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000290948127 294228023 /nfs/dbraw/zinc/22/80/23/294228023.db2.gz UUUJIILXKKTMPR-GFCCVEGCSA-N 1 0 337.228 2.859 20 5 EFBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366251 294360280 /nfs/dbraw/zinc/36/02/80/294360280.db2.gz ZJARRHRPMIYOBP-MNOVXSKESA-N 1 0 343.811 2.932 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000292065810 294568157 /nfs/dbraw/zinc/56/81/57/294568157.db2.gz CZGDJSMDNAPAIX-CYBMUJFWSA-N 1 0 348.374 2.999 20 5 EFBDRO Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292555526 294720206 /nfs/dbraw/zinc/72/02/06/294720206.db2.gz JGMARUJKHPBSSK-CQSZACIVSA-N 1 0 337.395 2.591 20 5 EFBDRO CNC(=O)c1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000292688518 294758632 /nfs/dbraw/zinc/75/86/32/294758632.db2.gz FDTVSNNTKHBITJ-UHFFFAOYSA-N 1 0 334.420 2.632 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000292732787 294770582 /nfs/dbraw/zinc/77/05/82/294770582.db2.gz QBPFSSOBLBMCPN-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292813023 294793446 /nfs/dbraw/zinc/79/34/46/294793446.db2.gz CLOOUYQHZLMMGA-CHWSQXEVSA-N 1 0 336.310 2.575 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C2CC2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000293221647 294911239 /nfs/dbraw/zinc/91/12/39/294911239.db2.gz XYSZLSUMBLQKLA-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO CCNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000293281190 294929457 /nfs/dbraw/zinc/92/94/57/294929457.db2.gz ODUYOAKWWGOHPV-ZDUSSCGKSA-N 1 0 347.337 2.864 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000293587944 295005723 /nfs/dbraw/zinc/00/57/23/295005723.db2.gz XEUQXUKILJJSKT-STQMWFEESA-N 1 0 346.431 2.754 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000293753550 295042216 /nfs/dbraw/zinc/04/22/16/295042216.db2.gz MKBRZQSYMRIPEG-MRVPVSSYSA-N 1 0 334.203 2.829 20 5 EFBDRO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293783008 295048829 /nfs/dbraw/zinc/04/88/29/295048829.db2.gz OHNJTLHRAWFAOA-JTQLQIEISA-N 1 0 345.852 2.654 20 5 EFBDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293832389 295059588 /nfs/dbraw/zinc/05/95/88/295059588.db2.gz SMOSJSQNKOWOEG-GFCCVEGCSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000293840706 295061201 /nfs/dbraw/zinc/06/12/01/295061201.db2.gz SWCAUKHMEGULEQ-DNOWBOINSA-N 1 0 340.445 2.849 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C[NH+](C)C ZINC000293894626 295073767 /nfs/dbraw/zinc/07/37/67/295073767.db2.gz QUTTXNACUXNQOC-SECBINFHSA-N 1 0 333.310 2.541 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)C1 ZINC000293900116 295074947 /nfs/dbraw/zinc/07/49/47/295074947.db2.gz HBONWSSJJMXEIC-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293946831 295084939 /nfs/dbraw/zinc/08/49/39/295084939.db2.gz OJLMYROEDBMENK-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000293948362 295085016 /nfs/dbraw/zinc/08/50/16/295085016.db2.gz IPQKPJDGJGSKHX-OAHLLOKOSA-N 1 0 329.400 2.709 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975509 295091191 /nfs/dbraw/zinc/09/11/91/295091191.db2.gz AZYBUJSVVPJPHD-GHMZBOCLSA-N 1 0 338.408 2.741 20 5 EFBDRO Cc1cc(N2CCC[C@@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294155871 295120418 /nfs/dbraw/zinc/12/04/18/295120418.db2.gz RFAJXVURDIZSPC-CQSZACIVSA-N 1 0 342.399 2.959 20 5 EFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294171806 295122257 /nfs/dbraw/zinc/12/22/57/295122257.db2.gz PYNRUAOZZYNNPJ-CQSZACIVSA-N 1 0 345.321 2.572 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[N+](=O)[O-] ZINC000294454900 295169961 /nfs/dbraw/zinc/16/99/61/295169961.db2.gz DHZDNOPWIVVTJH-QGZVFWFLSA-N 1 0 347.459 2.503 20 5 EFBDRO CC(C)(CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N+](=O)[O-] ZINC000294491947 295175442 /nfs/dbraw/zinc/17/54/42/295175442.db2.gz PPKSOPCILFUROI-INIZCTEOSA-N 1 0 333.432 2.775 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294502609 295177132 /nfs/dbraw/zinc/17/71/32/295177132.db2.gz SAYQMAKARCGHHT-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294563298 295186408 /nfs/dbraw/zinc/18/64/08/295186408.db2.gz LQOSBMHRKWGICR-YPMHNXCESA-N 1 0 345.321 2.747 20 5 EFBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294638206 295198509 /nfs/dbraw/zinc/19/85/09/295198509.db2.gz GEUSDRFPHVRNQR-XAFGUMMBSA-N 1 0 339.461 2.907 20 5 EFBDRO COc1cc(C[NH2+]CCc2scnc2C)c([N+](=O)[O-])cc1OC ZINC000294692597 295209110 /nfs/dbraw/zinc/20/91/10/295209110.db2.gz ARQCYWZSIBJXKF-UHFFFAOYSA-N 1 0 337.401 2.709 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294827446 295233538 /nfs/dbraw/zinc/23/35/38/295233538.db2.gz LBBVCBMHPFYBOA-STQMWFEESA-N 1 0 337.445 2.724 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000294870367 295239141 /nfs/dbraw/zinc/23/91/41/295239141.db2.gz PEYWDIZMMQMMQV-STQMWFEESA-N 1 0 345.403 2.879 20 5 EFBDRO Cc1cc(N2CC[C@@H](OC(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294882083 295240796 /nfs/dbraw/zinc/24/07/96/295240796.db2.gz FHJUUVNRSFRKKN-CYBMUJFWSA-N 1 0 344.371 2.728 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295002404 295256341 /nfs/dbraw/zinc/25/63/41/295256341.db2.gz WAMLDYZNIHYZRL-UHFFFAOYSA-N 1 0 341.383 2.594 20 5 EFBDRO Cc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000295004975 295256803 /nfs/dbraw/zinc/25/68/03/295256803.db2.gz AJKSMPSJQASAQP-OAHLLOKOSA-N 1 0 327.388 2.942 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418405851 295268058 /nfs/dbraw/zinc/26/80/58/295268058.db2.gz DUWGKNLXHLIXQO-CZUORRHYSA-N 1 0 346.431 2.786 20 5 EFBDRO COc1cc(C[NH2+]CCCc2ncccc2C)c([N+](=O)[O-])cc1O ZINC000295110927 295269476 /nfs/dbraw/zinc/26/94/76/295269476.db2.gz WDGYEIDJFOBNSV-UHFFFAOYSA-N 1 0 331.372 2.735 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC(C)(C)CO ZINC000295139883 295273430 /nfs/dbraw/zinc/27/34/30/295273430.db2.gz BZDJQTOGBZNHGU-SNVBAGLBSA-N 1 0 343.811 2.526 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000295188906 295279924 /nfs/dbraw/zinc/27/99/24/295279924.db2.gz IPYBBYLDGVBRTB-CQSZACIVSA-N 1 0 348.447 2.688 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000295257692 295288750 /nfs/dbraw/zinc/28/87/50/295288750.db2.gz NJAQLLXTWGXEET-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CCc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295290867 295294396 /nfs/dbraw/zinc/29/43/96/295294396.db2.gz IPWKPZZDKTVBPD-ZDUSSCGKSA-N 1 0 331.416 2.714 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000295300477 295296149 /nfs/dbraw/zinc/29/61/49/295296149.db2.gz KDUVFJTYGMGDGN-INIZCTEOSA-N 1 0 337.807 2.724 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000295330941 295301839 /nfs/dbraw/zinc/30/18/39/295301839.db2.gz UBSWHHZANCANGR-INIZCTEOSA-N 1 0 333.432 2.603 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000295400176 295313516 /nfs/dbraw/zinc/31/35/16/295313516.db2.gz RIQFAUASVVGSSO-LBPRGKRZSA-N 1 0 349.456 2.873 20 5 EFBDRO COCC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295415493 295316265 /nfs/dbraw/zinc/31/62/65/295316265.db2.gz DLGUVJNWSYRSED-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000295535752 295337016 /nfs/dbraw/zinc/33/70/16/295337016.db2.gz RRURNOPBAIKRFP-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295538929 295337663 /nfs/dbraw/zinc/33/76/63/295337663.db2.gz KLLCFZHZIIBUCE-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295588461 295345345 /nfs/dbraw/zinc/34/53/45/295345345.db2.gz MJHPULPSQQRBHU-AWEZNQCLSA-N 1 0 349.431 2.587 20 5 EFBDRO COC(=O)Cc1ccc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000295619510 295350353 /nfs/dbraw/zinc/35/03/53/295350353.db2.gz WDVOJUHCENAGSF-UHFFFAOYSA-N 1 0 349.431 2.985 20 5 EFBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295737695 295368560 /nfs/dbraw/zinc/36/85/60/295368560.db2.gz WKVPIVHFBVGDSC-IJEWVQPXSA-N 1 0 339.395 2.937 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000295844422 295384930 /nfs/dbraw/zinc/38/49/30/295384930.db2.gz DGQBOBMRIBMYKQ-NZVBXONLSA-N 1 0 346.387 2.794 20 5 EFBDRO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000295907854 295395072 /nfs/dbraw/zinc/39/50/72/295395072.db2.gz NVTKYXKZKILODS-CQSZACIVSA-N 1 0 328.372 2.860 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C4CCC4)CC3)cc2N1 ZINC000296044122 295416521 /nfs/dbraw/zinc/41/65/21/295416521.db2.gz PZCOPSJQCDTKQH-UHFFFAOYSA-N 1 0 344.415 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000296146232 295431344 /nfs/dbraw/zinc/43/13/44/295431344.db2.gz XOWHAAAFCQAQQN-FVQBIDKESA-N 1 0 347.371 2.940 20 5 EFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000237561321 297232512 /nfs/dbraw/zinc/23/25/12/297232512.db2.gz RZABOEFLBYFOIE-CHWSQXEVSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000447544475 298782349 /nfs/dbraw/zinc/78/23/49/298782349.db2.gz VPCLBNFMLIRLSA-ZACQAIPSSA-N 1 0 349.479 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000359114532 301850112 /nfs/dbraw/zinc/85/01/12/301850112.db2.gz IYAASNHRIRCKKL-INIZCTEOSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346257709 302038000 /nfs/dbraw/zinc/03/80/00/302038000.db2.gz HBZMVHMCJIPUJO-DUVNUKRYSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000179448201 310787491 /nfs/dbraw/zinc/78/74/91/310787491.db2.gz LQNXCUDUPNMJOX-UHFFFAOYSA-N 1 0 331.416 2.688 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255223480 310810695 /nfs/dbraw/zinc/81/06/95/310810695.db2.gz JITRVJJEFGYYNB-HJWRWDBZSA-N 1 0 331.416 2.987 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297292475 310877156 /nfs/dbraw/zinc/87/71/56/310877156.db2.gz XGVUVLYPMJADNW-UHFFFAOYSA-N 1 0 331.416 2.661 20 5 EFBDRO C[NH+](C)CCOc1ccccc1-c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000297625870 310915621 /nfs/dbraw/zinc/91/56/21/310915621.db2.gz JBYYEDXHHMZAGP-UHFFFAOYSA-N 1 0 348.403 2.665 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298100483 310957273 /nfs/dbraw/zinc/95/72/73/310957273.db2.gz MMMWKXDSAPXNNG-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000298643758 311010608 /nfs/dbraw/zinc/01/06/08/311010608.db2.gz MGTYIZIEZMHUEH-JSGCOSHPSA-N 1 0 337.445 2.676 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000298715874 311017321 /nfs/dbraw/zinc/01/73/21/311017321.db2.gz YXUYHENFVSJCJY-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298798404 311024517 /nfs/dbraw/zinc/02/45/17/311024517.db2.gz PXNSTYHIGFIZFA-AWEZNQCLSA-N 1 0 337.420 2.600 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298958534 311037681 /nfs/dbraw/zinc/03/76/81/311037681.db2.gz DPZYXQHFWIBSEA-KGLIPLIRSA-N 1 0 329.356 2.698 20 5 EFBDRO C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000299007327 311041392 /nfs/dbraw/zinc/04/13/92/311041392.db2.gz KUFRGEBVEJVFHV-AWEZNQCLSA-N 1 0 334.420 2.687 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299012028 311041807 /nfs/dbraw/zinc/04/18/07/311041807.db2.gz DHOLBEKCVIKPHW-UHFFFAOYSA-N 1 0 344.415 2.880 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000299039506 311044306 /nfs/dbraw/zinc/04/43/06/311044306.db2.gz ZRULNTTVYNKDQL-APHBMKBZSA-N 1 0 332.404 2.582 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299044988 311044855 /nfs/dbraw/zinc/04/48/55/311044855.db2.gz OJJXHCCIUCMZHJ-STQMWFEESA-N 1 0 335.429 2.673 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000299189278 311060387 /nfs/dbraw/zinc/06/03/87/311060387.db2.gz FJUMTTWTHWXPTR-BFYDXBDKSA-N 1 0 333.432 2.668 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000299194012 311060721 /nfs/dbraw/zinc/06/07/21/311060721.db2.gz LDPVVLIHDISLGF-UHFFFAOYSA-N 1 0 327.384 2.977 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000299212079 311062010 /nfs/dbraw/zinc/06/20/10/311062010.db2.gz HLZDEZAENXFNIP-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299375124 311078257 /nfs/dbraw/zinc/07/82/57/311078257.db2.gz LUPPOMAZIJOVRV-OAHLLOKOSA-N 1 0 334.372 2.838 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299577654 311098594 /nfs/dbraw/zinc/09/85/94/311098594.db2.gz UUTVXVXUNOZZEG-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299651381 311107373 /nfs/dbraw/zinc/10/73/73/311107373.db2.gz MADYGZCPBYIKSC-UHFFFAOYSA-N 1 0 346.431 2.788 20 5 EFBDRO O=C(CC[N@@H+](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000299734750 311115079 /nfs/dbraw/zinc/11/50/79/311115079.db2.gz ZVSOTOMJFKZLOO-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=c1[nH]cnc2cc(NCC[NH+]3CCCCCC3)c([N+](=O)[O-])cc21 ZINC000301107044 311119264 /nfs/dbraw/zinc/11/92/64/311119264.db2.gz UKIYKERQMYUEOZ-UHFFFAOYSA-N 1 0 331.376 2.532 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301114233 311120052 /nfs/dbraw/zinc/12/00/52/311120052.db2.gz YBHRWWXOGXBJNW-UHFFFAOYSA-N 1 0 337.449 2.862 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301238252 311126333 /nfs/dbraw/zinc/12/63/33/311126333.db2.gz DZVCUCAQUDBAEV-LBPRGKRZSA-N 1 0 345.403 2.920 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000301274051 311128307 /nfs/dbraw/zinc/12/83/07/311128307.db2.gz KLGDVQDLFVEBDG-DZGCQCFKSA-N 1 0 335.452 2.728 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000301456161 311138434 /nfs/dbraw/zinc/13/84/34/311138434.db2.gz WVPNULUMXPRIBA-MNOVXSKESA-N 1 0 347.337 2.505 20 5 EFBDRO CCOc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301514613 311141859 /nfs/dbraw/zinc/14/18/59/311141859.db2.gz GCTUYJZSRMUINP-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301523740 311142391 /nfs/dbraw/zinc/14/23/91/311142391.db2.gz MJLGKQXPSDUFCP-KRWDZBQOSA-N 1 0 341.411 2.734 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301548500 311143807 /nfs/dbraw/zinc/14/38/07/311143807.db2.gz QCYKKZKJADEPTR-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO CCOc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301599712 311146941 /nfs/dbraw/zinc/14/69/41/311146941.db2.gz UODCSJGXEXXEKP-CQSZACIVSA-N 1 0 349.431 2.906 20 5 EFBDRO C[C@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301654638 311150377 /nfs/dbraw/zinc/15/03/77/311150377.db2.gz UTCHOAFZIQQZKX-JTQLQIEISA-N 1 0 333.392 2.632 20 5 EFBDRO C[C@H]1C[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301775611 311157578 /nfs/dbraw/zinc/15/75/78/311157578.db2.gz HHCTYXLRXJPROW-QWRGUYRKSA-N 1 0 329.347 2.784 20 5 EFBDRO Cc1ccc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301815898 311160359 /nfs/dbraw/zinc/16/03/59/311160359.db2.gz IXFSUWHHYYRNLV-CALCHBBNSA-N 1 0 346.475 2.898 20 5 EFBDRO COc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301884173 311164758 /nfs/dbraw/zinc/16/47/58/311164758.db2.gz YOPHWZDKZAMDHG-RYUDHWBXSA-N 1 0 341.383 2.654 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301892062 311165165 /nfs/dbraw/zinc/16/51/65/311165165.db2.gz VMKFXABGYINILE-DLBZAZTESA-N 1 0 341.411 2.951 20 5 EFBDRO CC(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCC(C)CC1 ZINC000301921349 311166844 /nfs/dbraw/zinc/16/68/44/311166844.db2.gz KYZGCTAZKQNWEL-CQSZACIVSA-N 1 0 346.435 2.806 20 5 EFBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984737 311170509 /nfs/dbraw/zinc/17/05/09/311170509.db2.gz CDTCOHQGSNSHPV-CYBMUJFWSA-N 1 0 344.415 2.832 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c(OC(F)F)c1 ZINC000302038786 311173845 /nfs/dbraw/zinc/17/38/45/311173845.db2.gz GWFDXKSHKWMCFJ-UHFFFAOYSA-N 1 0 327.331 2.728 20 5 EFBDRO CC(=O)NC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302147765 311180364 /nfs/dbraw/zinc/18/03/64/311180364.db2.gz GZQJJWIHQRQLCT-UHFFFAOYSA-N 1 0 328.372 2.556 20 5 EFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000302168515 311182007 /nfs/dbraw/zinc/18/20/07/311182007.db2.gz PKZAWKILDJZOIP-UHFFFAOYSA-N 1 0 342.399 2.862 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000302187034 311183041 /nfs/dbraw/zinc/18/30/41/311183041.db2.gz VTOJENHMZXZMCB-CZUORRHYSA-N 1 0 343.431 2.823 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302226363 311186087 /nfs/dbraw/zinc/18/60/87/311186087.db2.gz PMSVFMHABANRAS-CQSZACIVSA-N 1 0 333.436 2.866 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302297020 311188049 /nfs/dbraw/zinc/18/80/49/311188049.db2.gz XXTVCZQQNBGNLY-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302297018 311188233 /nfs/dbraw/zinc/18/82/33/311188233.db2.gz XXTVCZQQNBGNLY-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCCCC1 ZINC000302484489 311191133 /nfs/dbraw/zinc/19/11/33/311191133.db2.gz YRRZGIOOOZCVMU-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CC1(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302514104 311192208 /nfs/dbraw/zinc/19/22/08/311192208.db2.gz GUPWRISBLIRJGP-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1cc(N2CCN(CC(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302539116 311192902 /nfs/dbraw/zinc/19/29/02/311192902.db2.gz NINZCYZJBBPJQB-UHFFFAOYSA-N 1 0 342.399 2.756 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302632472 311194924 /nfs/dbraw/zinc/19/49/24/311194924.db2.gz CGSGMXGTCODLQC-CYBMUJFWSA-N 1 0 340.855 2.995 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000302782090 311200714 /nfs/dbraw/zinc/20/07/14/311200714.db2.gz SFERYBUIEQOEMN-WDEREUQCSA-N 1 0 347.337 2.505 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305105990 311215756 /nfs/dbraw/zinc/21/57/56/311215756.db2.gz BJYHIWWXQGWSNW-CQSZACIVSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305127146 311216528 /nfs/dbraw/zinc/21/65/28/311216528.db2.gz ISOBFMLPMZUXOM-CQSZACIVSA-N 1 0 332.322 2.773 20 5 EFBDRO CCNc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000308676563 311228291 /nfs/dbraw/zinc/22/82/91/311228291.db2.gz GRUAJCWIPPURAJ-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000308675162 311228328 /nfs/dbraw/zinc/22/83/28/311228328.db2.gz MTPCHTQOAMMSNJ-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000320218281 311237538 /nfs/dbraw/zinc/23/75/38/311237538.db2.gz YVGMPLOLJRITSN-OAHLLOKOSA-N 1 0 336.775 2.778 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000324794713 311242272 /nfs/dbraw/zinc/24/22/72/311242272.db2.gz MYGATUQKCQVXRA-PTZVLDCSSA-N 1 0 329.400 2.599 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330516295 311320240 /nfs/dbraw/zinc/32/02/40/311320240.db2.gz IFRSDUOOQGZECC-GJZGRUSLSA-N 1 0 335.448 2.605 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330518993 311320434 /nfs/dbraw/zinc/32/04/34/311320434.db2.gz HCRGPQYPUGLIFY-UHFFFAOYSA-N 1 0 325.434 2.850 20 5 EFBDRO CCOc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330557979 311321817 /nfs/dbraw/zinc/32/18/17/311321817.db2.gz WVDRBZILXZUOHA-UHFFFAOYSA-N 1 0 349.431 2.938 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000330562348 311322094 /nfs/dbraw/zinc/32/20/94/311322094.db2.gz JHWLNNPZUPIOBR-QWHCGFSZSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583436 311322794 /nfs/dbraw/zinc/32/27/94/311322794.db2.gz KHZMPXBRITZWFZ-QWHCGFSZSA-N 1 0 330.388 2.774 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330578819 311322825 /nfs/dbraw/zinc/32/28/25/311322825.db2.gz PIRULCIGHMDPFV-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000330724435 311330926 /nfs/dbraw/zinc/33/09/26/311330926.db2.gz DFTHGBZQHYWATO-CYBMUJFWSA-N 1 0 349.431 2.796 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330813467 311336642 /nfs/dbraw/zinc/33/66/42/311336642.db2.gz CKZBBXJWZFJUQU-UHFFFAOYSA-N 1 0 339.823 2.591 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330860744 311339273 /nfs/dbraw/zinc/33/92/73/311339273.db2.gz PPSZHQLRSPKCIP-CYBMUJFWSA-N 1 0 337.395 2.638 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330862945 311339624 /nfs/dbraw/zinc/33/96/24/311339624.db2.gz QQFNAEDKLCCCNT-GFCCVEGCSA-N 1 0 337.395 2.780 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330897759 311342225 /nfs/dbraw/zinc/34/22/25/311342225.db2.gz HVBTUVJEXSYZDS-AGIUHOORSA-N 1 0 337.445 2.674 20 5 EFBDRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000331078009 311352613 /nfs/dbraw/zinc/35/26/13/311352613.db2.gz MMQJXUYPVXJQCT-UHFFFAOYSA-N 1 0 349.431 2.857 20 5 EFBDRO COc1cc(CN2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000331236912 311362499 /nfs/dbraw/zinc/36/24/99/311362499.db2.gz HCULWEUDIGKOTE-HNNXBMFYSA-N 1 0 325.384 2.515 20 5 EFBDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331520527 311385829 /nfs/dbraw/zinc/38/58/29/311385829.db2.gz VQKSNOIISFDOOM-HUUCEWRRSA-N 1 0 333.392 2.712 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331623385 311398591 /nfs/dbraw/zinc/39/85/91/311398591.db2.gz YCQJIIGNWQXEIU-GXTWGEPZSA-N 1 0 327.388 2.738 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000331655647 311403511 /nfs/dbraw/zinc/40/35/11/311403511.db2.gz WQJHUPFIPBULLY-KDOFPFPSSA-N 1 0 346.431 2.749 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000331860612 311427944 /nfs/dbraw/zinc/42/79/44/311427944.db2.gz YJCGFEUFXBXOEX-XJKSGUPXSA-N 1 0 331.416 2.716 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000331937140 311436304 /nfs/dbraw/zinc/43/63/04/311436304.db2.gz XEPLINSELDXYQP-YSVLISHTSA-N 1 0 346.431 2.624 20 5 EFBDRO CN(C)[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000331997726 311442744 /nfs/dbraw/zinc/44/27/44/311442744.db2.gz VTQXNVARTRIBPX-IAGOWNOFSA-N 1 0 335.473 2.999 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332266880 311480336 /nfs/dbraw/zinc/48/03/36/311480336.db2.gz FNDOQZPQBIKCJC-ARLBYUKCSA-N 1 0 346.431 2.733 20 5 EFBDRO CC[C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332399336 311499065 /nfs/dbraw/zinc/49/90/65/311499065.db2.gz RNAXZFMCLOMHOW-HOTGVXAUSA-N 1 0 333.432 2.922 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000332644781 311530340 /nfs/dbraw/zinc/53/03/40/311530340.db2.gz MBJDVLLJUUKQBB-OLZOCXBDSA-N 1 0 329.404 2.975 20 5 EFBDRO Cc1c(Br)c(NCC2([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000397962009 311961920 /nfs/dbraw/zinc/96/19/20/311961920.db2.gz DVXGYWOAGUBAJJ-UHFFFAOYSA-N 1 0 329.198 2.567 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000411509078 311980135 /nfs/dbraw/zinc/98/01/35/311980135.db2.gz CAIWBYSHUDCNAY-UHFFFAOYSA-N 1 0 347.415 2.550 20 5 EFBDRO [NH3+]C1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414941942 312067720 /nfs/dbraw/zinc/06/77/20/312067720.db2.gz CYRRFPDZWGKEDT-UHFFFAOYSA-N 1 0 344.318 2.588 20 5 EFBDRO O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1ccc(F)cc1 ZINC000415032531 312080165 /nfs/dbraw/zinc/08/01/65/312080165.db2.gz HNLFRRQQCKUSPM-HWWDLCQESA-N 1 0 343.358 2.834 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415048268 312083235 /nfs/dbraw/zinc/08/32/35/312083235.db2.gz XBGRDZWTPYNTNR-HNNXBMFYSA-N 1 0 347.440 2.791 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000415109605 312096022 /nfs/dbraw/zinc/09/60/22/312096022.db2.gz NPTNAYITQZSZNN-ZDUSSCGKSA-N 1 0 347.440 2.873 20 5 EFBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415449168 312140506 /nfs/dbraw/zinc/14/05/06/312140506.db2.gz VJUJJTYVQBDQRP-QMMMGPOBSA-N 1 0 334.298 2.591 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415451021 312140819 /nfs/dbraw/zinc/14/08/19/312140819.db2.gz XCDYEOOWYPYRCL-SCZZXKLOSA-N 1 0 346.309 2.876 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452676 312140952 /nfs/dbraw/zinc/14/09/52/312140952.db2.gz YSDFAXVYQSPSNU-BDAKNGLRSA-N 1 0 346.309 2.815 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415451017 312140956 /nfs/dbraw/zinc/14/09/56/312140956.db2.gz XCDYEOOWYPYRCL-PSASIEDQSA-N 1 0 346.309 2.876 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452685 312141273 /nfs/dbraw/zinc/14/12/73/312141273.db2.gz YSDFAXVYQSPSNU-RKDXNWHRSA-N 1 0 346.309 2.815 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415476996 312143467 /nfs/dbraw/zinc/14/34/67/312143467.db2.gz AFXLTIVGLFERMI-MGPQQGTHSA-N 1 0 332.404 2.721 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415653200 312162655 /nfs/dbraw/zinc/16/26/55/312162655.db2.gz IAIUBKXAAFPSED-WCQYABFASA-N 1 0 336.392 2.633 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415760049 312169730 /nfs/dbraw/zinc/16/97/30/312169730.db2.gz JOULCKZFPJBRRV-NWANDNLSSA-N 1 0 332.404 2.748 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415885277 312179337 /nfs/dbraw/zinc/17/93/37/312179337.db2.gz RWFRGZZHOPUNHA-UHFFFAOYSA-N 1 0 340.383 2.904 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417138888 312194803 /nfs/dbraw/zinc/19/48/03/312194803.db2.gz OKVZYSLSQCXFIG-BBRMVZONSA-N 1 0 346.431 2.687 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309772 312206751 /nfs/dbraw/zinc/20/67/51/312206751.db2.gz KAPOYHLJOYUMAV-OIISXLGYSA-N 1 0 331.416 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CN(C3CC3)CCO1)CCCC2 ZINC000417311207 312207272 /nfs/dbraw/zinc/20/72/72/312207272.db2.gz OAELQKGCHJFLKY-HKUYNNGSSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)CCCC2 ZINC000417314194 312207710 /nfs/dbraw/zinc/20/77/10/312207710.db2.gz YHVYWWQIPRSNTB-ZWKOTPCHSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)CCCC2 ZINC000417334271 312210732 /nfs/dbraw/zinc/21/07/32/312210732.db2.gz RFAHBWMGSFRJIC-RLFYNMQTSA-N 1 0 334.416 2.597 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CC1)CCCC2 ZINC000417338518 312210984 /nfs/dbraw/zinc/21/09/84/312210984.db2.gz YXMVBSGCEPAVQY-GOSISDBHSA-N 1 0 345.443 2.817 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)NCC(F)(F)F ZINC000417339982 312211203 /nfs/dbraw/zinc/21/12/03/312211203.db2.gz LPGKDHNITGAUOT-CYBMUJFWSA-N 1 0 345.321 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CCC2 ZINC000417394622 312217548 /nfs/dbraw/zinc/21/75/48/312217548.db2.gz VNYWWLKTYLQYJD-DOMZBBRYSA-N 1 0 325.359 2.901 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417397257 312218334 /nfs/dbraw/zinc/21/83/34/312218334.db2.gz XXJCPNNEKQNSDN-YPMHNXCESA-N 1 0 343.374 2.984 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417738928 312263857 /nfs/dbraw/zinc/26/38/57/312263857.db2.gz YYWDRWBETRCCMZ-DOTOQJQBSA-N 1 0 348.447 2.734 20 5 EFBDRO CC[C@H](NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417818686 312274566 /nfs/dbraw/zinc/27/45/66/312274566.db2.gz BCJNYCOXHUCHLP-BJJXKVORSA-N 1 0 334.420 2.863 20 5 EFBDRO CC[C@H](NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417818688 312274612 /nfs/dbraw/zinc/27/46/12/312274612.db2.gz BCJNYCOXHUCHLP-NOLJZWGESA-N 1 0 334.420 2.863 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417821656 312275683 /nfs/dbraw/zinc/27/56/83/312275683.db2.gz DPSSEJJUVRMWRM-UKRRQHHQSA-N 1 0 336.436 2.979 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417821649 312275776 /nfs/dbraw/zinc/27/57/76/312275776.db2.gz DPSSEJJUVRMWRM-DZGCQCFKSA-N 1 0 336.436 2.979 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417822238 312275779 /nfs/dbraw/zinc/27/57/79/312275779.db2.gz FIXXMTLHIDMRQD-KGLIPLIRSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000417845078 312280396 /nfs/dbraw/zinc/28/03/96/312280396.db2.gz IIQONZQDITXCFC-SWLSCSKDSA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417849724 312281326 /nfs/dbraw/zinc/28/13/26/312281326.db2.gz LXMZYDQKDSLFNM-YDHLFZDLSA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417857157 312283462 /nfs/dbraw/zinc/28/34/62/312283462.db2.gz TXVLECYDMHLLOA-NWANDNLSSA-N 1 0 334.420 2.781 20 5 EFBDRO CC[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417859868 312284226 /nfs/dbraw/zinc/28/42/26/312284226.db2.gz XGKNCDAQYYYYPM-CZUORRHYSA-N 1 0 334.420 2.735 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000417874443 312287049 /nfs/dbraw/zinc/28/70/49/312287049.db2.gz KFWNQNUFIBHGMI-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000417971231 312302782 /nfs/dbraw/zinc/30/27/82/312302782.db2.gz AMDSPICRAFMBOZ-DOMZBBRYSA-N 1 0 334.420 2.733 20 5 EFBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000418138806 312332821 /nfs/dbraw/zinc/33/28/21/312332821.db2.gz VCUAADIWXMDLEA-FNORWQNLSA-N 1 0 334.416 2.765 20 5 EFBDRO COCCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000418140139 312333293 /nfs/dbraw/zinc/33/32/93/312333293.db2.gz VDCVZMKOXKSEFC-UHFFFAOYSA-N 1 0 332.404 2.854 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418140550 312333362 /nfs/dbraw/zinc/33/33/62/312333362.db2.gz VRBSNUPPRYWXBD-YRBHFNIASA-N 1 0 325.359 2.927 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239832 312352357 /nfs/dbraw/zinc/35/23/57/312352357.db2.gz YZKKTQKUQLMPJJ-CWRNSKLLSA-N 1 0 346.431 2.687 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000420583013 312373472 /nfs/dbraw/zinc/37/34/72/312373472.db2.gz JQPYFKZMFJAGFO-AWEZNQCLSA-N 1 0 344.371 2.536 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423469263 312421110 /nfs/dbraw/zinc/42/11/10/312421110.db2.gz OTKZBTIJDVUMLN-NXEZZACHSA-N 1 0 343.836 2.536 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423588998 312435475 /nfs/dbraw/zinc/43/54/75/312435475.db2.gz HIFDDUAGJUNWQA-TXEJJXNPSA-N 1 0 335.429 2.673 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423599622 312436748 /nfs/dbraw/zinc/43/67/48/312436748.db2.gz XMSHHVOEQWBBNM-QWRGUYRKSA-N 1 0 343.836 2.726 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423685064 312442510 /nfs/dbraw/zinc/44/25/10/312442510.db2.gz IKTWYBYWBPPPJD-BXUZGUMPSA-N 1 0 335.429 2.531 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423848932 312470666 /nfs/dbraw/zinc/47/06/66/312470666.db2.gz PTORWGSENFUOSZ-CYBMUJFWSA-N 1 0 325.796 2.643 20 5 EFBDRO Cc1c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000424044247 312502424 /nfs/dbraw/zinc/50/24/24/312502424.db2.gz OPCHEWPXWQKTFN-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO Cc1cc(C)n(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447510604 312678521 /nfs/dbraw/zinc/67/85/21/312678521.db2.gz IWVGWLINBXISKI-JKSUJKDBSA-N 1 0 346.435 2.768 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449360834 312689359 /nfs/dbraw/zinc/68/93/59/312689359.db2.gz JSSOOYATKTZTEY-CXAGYDPISA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453341303 312890105 /nfs/dbraw/zinc/89/01/05/312890105.db2.gz LHCDEHTVBGJRHP-CABCVRRESA-N 1 0 341.411 2.993 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453356667 312892255 /nfs/dbraw/zinc/89/22/55/312892255.db2.gz NDHCVXPYMDHMFM-KMANFZQXSA-N 1 0 334.416 2.700 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cnc(C)cn2)cc1[N+](=O)[O-] ZINC000453396374 312897661 /nfs/dbraw/zinc/89/76/61/312897661.db2.gz IMDZEAYOYBIDPA-ZDUSSCGKSA-N 1 0 330.388 2.985 20 5 EFBDRO C[C@H](CC1CCOCC1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453578095 312911615 /nfs/dbraw/zinc/91/16/15/312911615.db2.gz PXTLRYYCKMTCQC-OAHLLOKOSA-N 1 0 348.447 2.565 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000453581116 312912152 /nfs/dbraw/zinc/91/21/52/312912152.db2.gz UVCVDKVDIPVWFI-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000453601045 312915957 /nfs/dbraw/zinc/91/59/57/312915957.db2.gz SYSFLYHNJBVWDK-UHFFFAOYSA-N 1 0 338.314 2.627 20 5 EFBDRO CNc1nc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455661504 312963533 /nfs/dbraw/zinc/96/35/33/312963533.db2.gz DNWICTCTTNUUMT-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000458199230 313083198 /nfs/dbraw/zinc/08/31/98/313083198.db2.gz UMVYTSZCHZBBRC-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000470147113 313129435 /nfs/dbraw/zinc/12/94/35/313129435.db2.gz NDVMOXCGDAYEJR-CLFJRNRBSA-N 1 0 329.400 2.584 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000471758645 313157233 /nfs/dbraw/zinc/15/72/33/313157233.db2.gz MKYPBAIVQODXPR-OAHLLOKOSA-N 1 0 345.443 2.961 20 5 EFBDRO COc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000475111990 313218626 /nfs/dbraw/zinc/21/86/26/313218626.db2.gz REWDCUWCZBDMLT-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475703711 313225220 /nfs/dbraw/zinc/22/52/20/313225220.db2.gz YAOGKIZRDZEOEM-GXTWGEPZSA-N 1 0 336.388 2.767 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000480687063 313283330 /nfs/dbraw/zinc/28/33/30/313283330.db2.gz GAPFCTVHVALUCY-WFASDCNBSA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472639 313338006 /nfs/dbraw/zinc/33/80/06/313338006.db2.gz UBMJJJWNKGVECX-WMLDXEAASA-N 1 0 348.447 2.946 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486967785 313353864 /nfs/dbraw/zinc/35/38/64/313353864.db2.gz NNAJKEXWXSRIGL-CQSZACIVSA-N 1 0 331.376 2.565 20 5 EFBDRO CCOc1cc(N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000486975514 313354085 /nfs/dbraw/zinc/35/40/85/313354085.db2.gz ZPFXKBJHQOFTRS-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO CCc1cc(NC[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489017814 313536314 /nfs/dbraw/zinc/53/63/14/313536314.db2.gz UOWOLOZBVQHPGF-CYBMUJFWSA-N 1 0 343.431 2.646 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489358824 313566360 /nfs/dbraw/zinc/56/63/60/313566360.db2.gz CLWIFVOCSCHFHJ-ZIAGYGMSSA-N 1 0 336.436 2.994 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491911104 313809364 /nfs/dbraw/zinc/80/93/64/313809364.db2.gz COEGATYWLVKJFP-XQRVVYSFSA-N 1 0 349.406 2.985 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492027169 313847999 /nfs/dbraw/zinc/84/79/99/313847999.db2.gz ATEXAASOZWSHSZ-MDZDMXLPSA-N 1 0 331.416 2.942 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000492302928 313943259 /nfs/dbraw/zinc/94/32/59/313943259.db2.gz YGQIIHQLPWAUSC-DANOYGIBSA-N 1 0 343.427 2.798 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492511591 314019702 /nfs/dbraw/zinc/01/97/02/314019702.db2.gz QQGZVUBKOOXHFI-CTXBLAANSA-N 1 0 333.388 2.819 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492528888 314026067 /nfs/dbraw/zinc/02/60/67/314026067.db2.gz GBGCJWYIRJCPFI-XQRVVYSFSA-N 1 0 335.379 2.595 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492595009 314050363 /nfs/dbraw/zinc/05/03/63/314050363.db2.gz MSJZFCNBBXGPJO-SOFGYWHQSA-N 1 0 335.379 2.691 20 5 EFBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000492893291 314167652 /nfs/dbraw/zinc/16/76/52/314167652.db2.gz MPSIFNADCHRONR-LLDCWGLXSA-N 1 0 329.400 2.692 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000492898932 314169384 /nfs/dbraw/zinc/16/93/84/314169384.db2.gz UXYUWWSOLULGQT-JMSSTFSISA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000492898931 314169598 /nfs/dbraw/zinc/16/95/98/314169598.db2.gz UXYUWWSOLULGQT-GIIMBGIHSA-N 1 0 343.427 2.797 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000493026533 314215890 /nfs/dbraw/zinc/21/58/90/314215890.db2.gz QTQCZRMTUQDEAS-ZEVQVBBLSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493042158 314220813 /nfs/dbraw/zinc/22/08/13/314220813.db2.gz BICJVDLFUBKWSS-CGMDOEBQSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493042159 314220915 /nfs/dbraw/zinc/22/09/15/314220915.db2.gz BICJVDLFUBKWSS-KIBVIPRGSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493042160 314221142 /nfs/dbraw/zinc/22/11/42/314221142.db2.gz BICJVDLFUBKWSS-PQMVAPIISA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000493122659 314249022 /nfs/dbraw/zinc/24/90/22/314249022.db2.gz UABNLMZQZHNEAR-VBROQKIQSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000493248766 314290938 /nfs/dbraw/zinc/29/09/38/314290938.db2.gz ASNDNHBKFYEVQU-CQSZACIVSA-N 1 0 334.420 2.701 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000493331722 314318896 /nfs/dbraw/zinc/31/88/96/314318896.db2.gz ZTYGGKIKBATCAZ-BQYQJAHWSA-N 1 0 329.400 2.741 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000493362175 314329510 /nfs/dbraw/zinc/32/95/10/314329510.db2.gz ZSKRDMFQOGFEFS-CYBMUJFWSA-N 1 0 348.403 2.694 20 5 EFBDRO O=C(C=Cc1c[nH]cn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493548649 314396202 /nfs/dbraw/zinc/39/62/02/314396202.db2.gz GFNMZOLJJRCABV-OWOJBTEDSA-N 1 0 340.261 2.666 20 5 EFBDRO C[N@H+](CCCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493550250 314396823 /nfs/dbraw/zinc/39/68/23/314396823.db2.gz HQNDBCHJPLGLCR-UITAMQMPSA-N 1 0 335.379 2.738 20 5 EFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608139 314416831 /nfs/dbraw/zinc/41/68/31/314416831.db2.gz ZRQISLRJLIVYMK-WBVHZDCISA-N 1 0 331.372 2.891 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493745010 314464131 /nfs/dbraw/zinc/46/41/31/314464131.db2.gz IIQMWXUBNNHWKT-LRPNZCEASA-N 1 0 329.400 2.693 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493854743 314504104 /nfs/dbraw/zinc/50/41/04/314504104.db2.gz MECNJTFPYVAFJW-WMZJFQQLSA-N 1 0 335.379 2.736 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493862023 314506898 /nfs/dbraw/zinc/50/68/98/314506898.db2.gz YGNNSGIDRCRERT-AEYYSZTOSA-N 1 0 335.379 2.628 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000495480929 314729146 /nfs/dbraw/zinc/72/91/46/314729146.db2.gz ODOIYLNIHCAUIS-NWDGAFQWSA-N 1 0 339.367 2.690 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496362965 315040474 /nfs/dbraw/zinc/04/04/74/315040474.db2.gz NXLALTBIAFSEEJ-KBPBESRZSA-N 1 0 333.388 2.738 20 5 EFBDRO COC(=O)N1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496778614 315192691 /nfs/dbraw/zinc/19/26/91/315192691.db2.gz WYUSHALFUJJHHN-OAHLLOKOSA-N 1 0 333.388 2.650 20 5 EFBDRO COC(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000496892930 315233694 /nfs/dbraw/zinc/23/36/94/315233694.db2.gz LQJHFMJGNQBNDX-RAXLEYEMSA-N 1 0 333.388 2.819 20 5 EFBDRO O=C1OCCN1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000497280879 315377956 /nfs/dbraw/zinc/37/79/56/315377956.db2.gz QZIITGHHDHQCII-MRXNPFEDSA-N 1 0 333.388 2.794 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000515166834 315596544 /nfs/dbraw/zinc/59/65/44/315596544.db2.gz KHGYLPRZVIUFLE-FMKPAKJESA-N 1 0 338.452 2.737 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000515176979 315597658 /nfs/dbraw/zinc/59/76/58/315597658.db2.gz BAJQHXUNIJHLTC-QGZVFWFLSA-N 1 0 344.415 2.746 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000516748859 315701256 /nfs/dbraw/zinc/70/12/56/315701256.db2.gz VHJYHVBDPOAMBX-SFHVURJKSA-N 1 0 331.416 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3C[NH+]3CCCC3)nc2c1 ZINC000520957129 315989349 /nfs/dbraw/zinc/98/93/49/315989349.db2.gz QUAQEWZFDGIWAV-CQSZACIVSA-N 1 0 329.404 2.531 20 5 EFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000521339181 316015791 /nfs/dbraw/zinc/01/57/91/316015791.db2.gz PNOYFOJGYBQGBP-ZDUSSCGKSA-N 1 0 344.415 2.793 20 5 EFBDRO O=C(CC[NH2+]C[C@@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000521627177 316035610 /nfs/dbraw/zinc/03/56/10/316035610.db2.gz ZTXVBBZZTXMPJA-HNNXBMFYSA-N 1 0 349.431 2.702 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523536773 316128977 /nfs/dbraw/zinc/12/89/77/316128977.db2.gz NGOSANZWSPKYGL-UHFFFAOYSA-N 1 0 329.356 2.930 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000524719391 316168243 /nfs/dbraw/zinc/16/82/43/316168243.db2.gz KJTREENSOFQXPB-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525292097 316206264 /nfs/dbraw/zinc/20/62/64/316206264.db2.gz IBEGCEQFURBUAM-CHWSQXEVSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000525291599 316206302 /nfs/dbraw/zinc/20/63/02/316206302.db2.gz MLFLDXBIWMKMQH-LLVKDONJSA-N 1 0 333.413 2.881 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525292098 316206338 /nfs/dbraw/zinc/20/63/38/316206338.db2.gz IBEGCEQFURBUAM-OLZOCXBDSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525292100 316206378 /nfs/dbraw/zinc/20/63/78/316206378.db2.gz IBEGCEQFURBUAM-STQMWFEESA-N 1 0 337.445 2.533 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000525354923 316211775 /nfs/dbraw/zinc/21/17/75/316211775.db2.gz HHANUCKUWRLVML-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO COc1ccc(OCC[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786400 316237597 /nfs/dbraw/zinc/23/75/97/316237597.db2.gz BAVSNKGTLYDCHZ-RYUDHWBXSA-N 1 0 326.418 2.808 20 5 EFBDRO CNc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000525878081 316251327 /nfs/dbraw/zinc/25/13/27/316251327.db2.gz JPWSKAOOCYJQOD-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000530793277 317179897 /nfs/dbraw/zinc/17/98/97/317179897.db2.gz SNXKZCYPHJKFRF-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530949716 317200263 /nfs/dbraw/zinc/20/02/63/317200263.db2.gz GHCPODAIKYDYMK-ZFWWWQNUSA-N 1 0 336.436 2.564 20 5 EFBDRO COC(=O)CCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000531479050 317273088 /nfs/dbraw/zinc/27/30/88/317273088.db2.gz HXOPHJPJNQJGNS-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000531683126 317300880 /nfs/dbraw/zinc/30/08/80/317300880.db2.gz VFVXNZLITPHSSI-ZDUSSCGKSA-N 1 0 331.372 2.866 20 5 EFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531729068 317305550 /nfs/dbraw/zinc/30/55/50/317305550.db2.gz SIEIGRSMAUMYOV-BFHYXJOUSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531994185 317340527 /nfs/dbraw/zinc/34/05/27/317340527.db2.gz XGBOJPIVNHSQSA-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000532198687 317369148 /nfs/dbraw/zinc/36/91/48/317369148.db2.gz MQKBLYAPAAZHRO-ZBFHGGJFSA-N 1 0 330.384 2.994 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000532233737 317372518 /nfs/dbraw/zinc/37/25/18/317372518.db2.gz VGUJMZVLUMPXCI-KCPJHIHWSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000532453086 317403112 /nfs/dbraw/zinc/40/31/12/317403112.db2.gz URAMVSZFTFFMCN-LSDHHAIUSA-N 1 0 330.384 2.994 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532675234 317429262 /nfs/dbraw/zinc/42/92/62/317429262.db2.gz BKEZIBZRQATHDU-ZDUSSCGKSA-N 1 0 334.372 2.527 20 5 EFBDRO Cc1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000532753959 317438442 /nfs/dbraw/zinc/43/84/42/317438442.db2.gz RJQXCNZAXWUURS-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CCC(CC)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000541577585 317781587 /nfs/dbraw/zinc/78/15/87/317781587.db2.gz DDASFBUYHIPUEG-HNNXBMFYSA-N 1 0 331.420 2.738 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000545163828 317907016 /nfs/dbraw/zinc/90/70/16/317907016.db2.gz WHROGHJBCVSICK-LBPRGKRZSA-N 1 0 337.395 2.612 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000547311693 317995162 /nfs/dbraw/zinc/99/51/62/317995162.db2.gz KBVFIWXCMCGNNV-UHFFFAOYSA-N 1 0 336.436 2.858 20 5 EFBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548067206 318069590 /nfs/dbraw/zinc/06/95/90/318069590.db2.gz AHZDYLYYYLYGOY-AWEZNQCLSA-N 1 0 348.424 2.589 20 5 EFBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548083550 318071275 /nfs/dbraw/zinc/07/12/75/318071275.db2.gz IUZRBVVOBKHSQR-UHFFFAOYSA-N 1 0 343.387 2.599 20 5 EFBDRO C[N@H+](CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000548389121 318102086 /nfs/dbraw/zinc/10/20/86/318102086.db2.gz OMVORIAGTOBPAF-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000548403921 318104161 /nfs/dbraw/zinc/10/41/61/318104161.db2.gz WVOQZKARFOQJDK-CJNGLKHVSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000550657884 318195592 /nfs/dbraw/zinc/19/55/92/318195592.db2.gz XDAFIHIMEHWWDG-GFCCVEGCSA-N 1 0 345.403 2.732 20 5 EFBDRO COC1(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000551246611 318204118 /nfs/dbraw/zinc/20/41/18/318204118.db2.gz TVSSGJWCHJXDRA-ZDUSSCGKSA-N 1 0 335.404 2.861 20 5 EFBDRO CC(C)C[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000551277030 318204415 /nfs/dbraw/zinc/20/44/15/318204415.db2.gz GKNSKBKKVZJSJW-UHFFFAOYSA-N 1 0 343.427 2.957 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100618 318242397 /nfs/dbraw/zinc/24/23/97/318242397.db2.gz OFPDXQLNXHBBHR-PBHICJAKSA-N 1 0 348.447 2.776 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552974119 318267048 /nfs/dbraw/zinc/26/70/48/318267048.db2.gz OMCLWCMKQDLEFU-GFCCVEGCSA-N 1 0 333.388 2.586 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1CC[NH+](C2CC2)CC1 ZINC000553224212 318275335 /nfs/dbraw/zinc/27/53/35/318275335.db2.gz SPUSYCOKZYHNLJ-UHFFFAOYSA-N 1 0 347.415 2.976 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553603092 318288733 /nfs/dbraw/zinc/28/87/33/318288733.db2.gz SWEGPJOCCKAGQE-OAHLLOKOSA-N 1 0 348.447 2.509 20 5 EFBDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554831197 318337679 /nfs/dbraw/zinc/33/76/79/318337679.db2.gz BNEHKVOAXCKERC-MAUKXSAKSA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555309692 318352782 /nfs/dbraw/zinc/35/27/82/318352782.db2.gz WVBKCYBHRSGKGK-AWEZNQCLSA-N 1 0 333.432 2.889 20 5 EFBDRO CCOc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000555574078 318362349 /nfs/dbraw/zinc/36/23/49/318362349.db2.gz GUDBGDRVEBKYQL-MRXNPFEDSA-N 1 0 346.383 2.523 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000555911027 318373930 /nfs/dbraw/zinc/37/39/30/318373930.db2.gz SKSOPTFGTRAABQ-CQSZACIVSA-N 1 0 348.447 2.995 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000556176711 318382074 /nfs/dbraw/zinc/38/20/74/318382074.db2.gz LTWZYWAZVTTYIH-GFCCVEGCSA-N 1 0 345.321 2.732 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000557214651 318431933 /nfs/dbraw/zinc/43/19/33/318431933.db2.gz DNCQCXQUNJMAFV-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000562053556 318620454 /nfs/dbraw/zinc/62/04/54/318620454.db2.gz VLQJVSRMYOOTEU-ZWNOBZJWSA-N 1 0 334.294 2.673 20 5 EFBDRO CC(C)(NC(=O)C[C@@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000563700019 318810430 /nfs/dbraw/zinc/81/04/30/318810430.db2.gz HNCDKTMAFBVQDJ-INIZCTEOSA-N 1 0 341.411 2.906 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2c1CC[NH2+]C2 ZINC000563701466 318810531 /nfs/dbraw/zinc/81/05/31/318810531.db2.gz PCLKYGDFWFXETE-UHFFFAOYSA-N 1 0 340.383 2.681 20 5 EFBDRO CC(C)(NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000563887704 318826145 /nfs/dbraw/zinc/82/61/45/318826145.db2.gz LYFDEWRZSLXOGD-QGZVFWFLSA-N 1 0 339.395 2.833 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1 ZINC000564652252 318878198 /nfs/dbraw/zinc/87/81/98/318878198.db2.gz WFPQEHQZVWOHNC-RPVQJOFSSA-N 1 0 346.358 2.619 20 5 EFBDRO COc1ccc(CC(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000565882697 319011560 /nfs/dbraw/zinc/01/15/60/319011560.db2.gz DPAIJXXPRFEDNY-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566258032 319053290 /nfs/dbraw/zinc/05/32/90/319053290.db2.gz OMLPFIMHEDNNSA-IUCAKERBSA-N 1 0 331.825 2.582 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000566485571 319083320 /nfs/dbraw/zinc/08/33/20/319083320.db2.gz NMTUKRAFIFUFBC-LBPRGKRZSA-N 1 0 331.376 2.504 20 5 EFBDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630360 319096854 /nfs/dbraw/zinc/09/68/54/319096854.db2.gz JUPXWZOQLPDOJQ-CXAGYDPISA-N 1 0 337.379 2.977 20 5 EFBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000567465771 319174508 /nfs/dbraw/zinc/17/45/08/319174508.db2.gz JNHXCKRTIAGFRO-WMZOPIPTSA-N 1 0 344.415 2.553 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000567690506 319198513 /nfs/dbraw/zinc/19/85/13/319198513.db2.gz CQXRATWNZKOZSI-BPQIPLTHSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693103 319198814 /nfs/dbraw/zinc/19/88/14/319198814.db2.gz KACVJDSPOGFZNE-QWRGUYRKSA-N 1 0 336.310 2.513 20 5 EFBDRO [NH3+]CCN(Cc1cccc(-n2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000567966408 319231157 /nfs/dbraw/zinc/23/11/57/319231157.db2.gz ZNRVIVYMIUDIDM-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO CCc1cnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000568500741 319289637 /nfs/dbraw/zinc/28/96/37/319289637.db2.gz CYCRVTZWMRWQPD-UHFFFAOYSA-N 1 0 334.401 2.732 20 5 EFBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000569072527 319344632 /nfs/dbraw/zinc/34/46/32/319344632.db2.gz BERNVZLFRLCVIW-OAGGEKHMSA-N 1 0 335.452 2.739 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000569246536 319363168 /nfs/dbraw/zinc/36/31/68/319363168.db2.gz GFTMCBOPGMTZAU-KGLIPLIRSA-N 1 0 348.447 2.687 20 5 EFBDRO CNc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000569439277 319379984 /nfs/dbraw/zinc/37/99/84/319379984.db2.gz YIDMEBMWCUJILP-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CCCC2)nc1 ZINC000569627225 319398826 /nfs/dbraw/zinc/39/88/26/319398826.db2.gz DZHJERFORJFIHE-UHFFFAOYSA-N 1 0 341.415 2.660 20 5 EFBDRO CCc1ccnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000570272699 319460699 /nfs/dbraw/zinc/46/06/99/319460699.db2.gz FJGSWILHISSIJL-UHFFFAOYSA-N 1 0 328.372 2.671 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000572422614 319668570 /nfs/dbraw/zinc/66/85/70/319668570.db2.gz DIGJCANCWDADDD-BLLLJJGKSA-N 1 0 342.374 2.985 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000572735200 319699867 /nfs/dbraw/zinc/69/98/67/319699867.db2.gz QXPOJUUVXXISGM-IOASZLSFSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000574464654 319865160 /nfs/dbraw/zinc/86/51/60/319865160.db2.gz PFVVLKBKPBLDIF-HNNXBMFYSA-N 1 0 348.447 2.945 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000574689077 319885043 /nfs/dbraw/zinc/88/50/43/319885043.db2.gz QUKQAHYIZINTOU-GJZGRUSLSA-N 1 0 333.432 2.937 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000574911879 319907223 /nfs/dbraw/zinc/90/72/23/319907223.db2.gz HMZXOHOAUGBIPH-IEZWGBDMSA-N 1 0 342.395 2.728 20 5 EFBDRO Cc1c(CN(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000574924853 319908739 /nfs/dbraw/zinc/90/87/39/319908739.db2.gz ISUMPTFLKJRQEQ-UHFFFAOYSA-N 1 0 328.416 2.862 20 5 EFBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575797206 319954279 /nfs/dbraw/zinc/95/42/79/319954279.db2.gz QPPVYGNKIRXOHT-LLVKDONJSA-N 1 0 346.387 2.749 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000576357416 320009254 /nfs/dbraw/zinc/00/92/54/320009254.db2.gz OCYGBRIKUBKZEE-HNNXBMFYSA-N 1 0 335.429 2.751 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000576679154 320037848 /nfs/dbraw/zinc/03/78/48/320037848.db2.gz BCJROMYOOILVHM-HNNXBMFYSA-N 1 0 328.372 2.735 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000577485273 320115386 /nfs/dbraw/zinc/11/53/86/320115386.db2.gz QROGACXBHRFEHH-KRWDZBQOSA-N 1 0 330.384 2.557 20 5 EFBDRO COCC1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577622463 320128406 /nfs/dbraw/zinc/12/84/06/320128406.db2.gz APMLINHKGOXTAB-UHFFFAOYSA-N 1 0 335.404 2.718 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000577628139 320129641 /nfs/dbraw/zinc/12/96/41/320129641.db2.gz RWYVVHKZKCXJQE-CVEARBPZSA-N 1 0 331.416 2.926 20 5 EFBDRO CCC(C)(C)C1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000577838042 320149007 /nfs/dbraw/zinc/14/90/07/320149007.db2.gz FPJZEAZMLPGHGU-ZBCRRDGASA-N 1 0 338.452 2.737 20 5 EFBDRO Cc1noc(C2CCC([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000578060941 320169302 /nfs/dbraw/zinc/16/93/02/320169302.db2.gz IVMOQPYNKSQWBS-UHFFFAOYSA-N 1 0 346.387 2.981 20 5 EFBDRO CS[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000578187660 320181522 /nfs/dbraw/zinc/18/15/22/320181522.db2.gz OTZFOEUPAXVGPY-DOMZBBRYSA-N 1 0 342.461 2.702 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578247257 320189060 /nfs/dbraw/zinc/18/90/60/320189060.db2.gz PNAPVVIIEQSYJA-XJKSGUPXSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000578271135 320190000 /nfs/dbraw/zinc/19/00/00/320190000.db2.gz GHHSBFHRQZMYFS-CQSZACIVSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1CCCCN1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000578436155 320205912 /nfs/dbraw/zinc/20/59/12/320205912.db2.gz CMNGGDDODBKRCN-OAHLLOKOSA-N 1 0 346.431 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000578668645 320228623 /nfs/dbraw/zinc/22/86/23/320228623.db2.gz JUXYMKAQAUKAAI-WDSOQIARSA-N 1 0 345.443 2.550 20 5 EFBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000027285784 323212441 /nfs/dbraw/zinc/21/24/41/323212441.db2.gz YDGNWLGIGPSTOM-UHFFFAOYSA-N 1 0 349.387 2.917 20 5 EFBDRO CC(C)CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181554817 323239298 /nfs/dbraw/zinc/23/92/98/323239298.db2.gz DFGJXRWFBSLARN-UHFFFAOYSA-N 1 0 340.445 2.879 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC000181820054 323252317 /nfs/dbraw/zinc/25/23/17/323252317.db2.gz KMMXVMXEZFCCOB-CYBMUJFWSA-N 1 0 338.367 2.762 20 5 EFBDRO C[C@@H]1CCC[C@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181909895 323255087 /nfs/dbraw/zinc/25/50/87/323255087.db2.gz LYVBQNICJUTCIA-KGLIPLIRSA-N 1 0 340.445 2.879 20 5 EFBDRO C[N@H+](CCCc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182211303 323269012 /nfs/dbraw/zinc/26/90/12/323269012.db2.gz LXRLVMVMCAKQOB-KRWDZBQOSA-N 1 0 344.411 2.899 20 5 EFBDRO CC[N@H+](CCc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182213952 323269571 /nfs/dbraw/zinc/26/95/71/323269571.db2.gz UQQCICFRRBPXOM-QGZVFWFLSA-N 1 0 344.411 2.899 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000182254179 323272733 /nfs/dbraw/zinc/27/27/33/323272733.db2.gz VIILHHXFEYVNEZ-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000182336612 323277807 /nfs/dbraw/zinc/27/78/07/323277807.db2.gz YMAIZHUKCSECER-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182509596 323286313 /nfs/dbraw/zinc/28/63/13/323286313.db2.gz LVUHMMMVXKALEJ-QXSJWSMHSA-N 1 0 334.416 2.845 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182519281 323286965 /nfs/dbraw/zinc/28/69/65/323286965.db2.gz ZLNYUYOJLIITOT-ZIAGYGMSSA-N 1 0 349.387 2.680 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000182667216 323293923 /nfs/dbraw/zinc/29/39/23/323293923.db2.gz UKTVZFLINQCFFS-HNNXBMFYSA-N 1 0 340.383 2.749 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000182683113 323295807 /nfs/dbraw/zinc/29/58/07/323295807.db2.gz MBISNTDKHFYTKW-NSHDSACASA-N 1 0 349.387 2.820 20 5 EFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000183211525 323322515 /nfs/dbraw/zinc/32/25/15/323322515.db2.gz PJTOECPMHUSLMZ-GFCCVEGCSA-N 1 0 337.420 2.806 20 5 EFBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184192155 323359145 /nfs/dbraw/zinc/35/91/45/323359145.db2.gz DGUUDFIJOFYVJY-WQGACYEGSA-N 1 0 337.395 2.636 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000184769218 323373745 /nfs/dbraw/zinc/37/37/45/323373745.db2.gz BHZLTJVNSCYQMA-CVEARBPZSA-N 1 0 333.432 2.622 20 5 EFBDRO C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184768966 323374001 /nfs/dbraw/zinc/37/40/01/323374001.db2.gz FUVRFARYZVRRMQ-NSHDSACASA-N 1 0 325.384 2.541 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184923727 323378160 /nfs/dbraw/zinc/37/81/60/323378160.db2.gz ZLSGLFHMKIBZJB-QWHCGFSZSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185489959 323391394 /nfs/dbraw/zinc/39/13/94/323391394.db2.gz CKXCDZPCANFWPB-RYUDHWBXSA-N 1 0 339.411 2.930 20 5 EFBDRO COC(=O)Cc1ccc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000296527078 323543804 /nfs/dbraw/zinc/54/38/04/323543804.db2.gz NBCRXKGTVLIBHP-UHFFFAOYSA-N 1 0 349.431 2.843 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000296580300 323562648 /nfs/dbraw/zinc/56/26/48/323562648.db2.gz ULVCTCXVGIAWGE-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000382463316 323746281 /nfs/dbraw/zinc/74/62/81/323746281.db2.gz YHJBWXZJKVTPGW-RKDXNWHRSA-N 1 0 329.198 2.600 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000579582004 323988262 /nfs/dbraw/zinc/98/82/62/323988262.db2.gz FHAADNJNFAXVLW-HNNXBMFYSA-N 1 0 341.367 2.955 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000579747039 324024400 /nfs/dbraw/zinc/02/44/00/324024400.db2.gz YQXDBJIXIKJVNO-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO CN(C)C(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000580328299 324143182 /nfs/dbraw/zinc/14/31/82/324143182.db2.gz QUDUBVXKADZNMJ-OAHLLOKOSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000580567278 324191093 /nfs/dbraw/zinc/19/10/93/324191093.db2.gz UKMXKZUBCFCXOB-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000580667396 324209322 /nfs/dbraw/zinc/20/93/22/324209322.db2.gz QKOLLCIRYYMGDB-LLVKDONJSA-N 1 0 342.804 2.839 20 5 EFBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000581463129 324382163 /nfs/dbraw/zinc/38/21/63/324382163.db2.gz SGKGJMHKPKFQPV-CQSZACIVSA-N 1 0 345.399 2.882 20 5 EFBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583259181 324773947 /nfs/dbraw/zinc/77/39/47/324773947.db2.gz XEYZRDQIZKAPBF-PWSUYJOCSA-N 1 0 336.310 2.655 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000583787025 324869565 /nfs/dbraw/zinc/86/95/65/324869565.db2.gz SVKOSNPRKZCXBE-WMLDXEAASA-N 1 0 331.416 2.785 20 5 EFBDRO Cc1cnccc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584110510 324931316 /nfs/dbraw/zinc/93/13/16/324931316.db2.gz GJOBDFSKSPQZNR-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210928 449753503 /nfs/dbraw/zinc/75/35/03/449753503.db2.gz WQZLLYIYRPGSIK-DZGCQCFKSA-N 1 0 327.388 2.565 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000137876916 473213310 /nfs/dbraw/zinc/21/33/10/473213310.db2.gz ZJYSDBXSYDEMPN-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522914 473214788 /nfs/dbraw/zinc/21/47/88/473214788.db2.gz DDJFXDPSIRARCV-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000081529555 473216306 /nfs/dbraw/zinc/21/63/06/473216306.db2.gz JDDDNENHMHVRPR-CYBMUJFWSA-N 1 0 338.407 2.760 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000161308853 473226001 /nfs/dbraw/zinc/22/60/01/473226001.db2.gz ZDFBOMJVVWJGMR-OCCSQVGLSA-N 1 0 337.807 2.805 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000161340248 473227258 /nfs/dbraw/zinc/22/72/58/473227258.db2.gz IFKMYKGPTYZWPJ-ZJUUUORDSA-N 1 0 331.294 2.613 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000161333943 473227299 /nfs/dbraw/zinc/22/72/99/473227299.db2.gz UXTMYTPWJYPKNF-HUUCEWRRSA-N 1 0 349.434 2.541 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000161334063 473227698 /nfs/dbraw/zinc/22/76/98/473227698.db2.gz UXTMYTPWJYPKNF-CABCVRRESA-N 1 0 349.434 2.541 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000081597332 473228644 /nfs/dbraw/zinc/22/86/44/473228644.db2.gz MZTGASOYQLDASZ-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccccn1 ZINC000124330174 473234167 /nfs/dbraw/zinc/23/41/67/473234167.db2.gz DZISFIGDKIJBMQ-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000161390086 473232244 /nfs/dbraw/zinc/23/22/44/473232244.db2.gz RDLLTYWMJABVSG-LBPRGKRZSA-N 1 0 346.774 2.652 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000161398855 473232938 /nfs/dbraw/zinc/23/29/38/473232938.db2.gz AVCSVBALQNRZQN-BZNIZROVSA-N 1 0 330.388 2.535 20 5 EFBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112088741 473242209 /nfs/dbraw/zinc/24/22/09/473242209.db2.gz QNQHNIQQYZYRLP-AWEZNQCLSA-N 1 0 337.445 2.801 20 5 EFBDRO Cc1cc(NC[C@]2(CCO)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008521 473254256 /nfs/dbraw/zinc/25/42/56/473254256.db2.gz LFDDWKCVMDRFGM-KRWDZBQOSA-N 1 0 331.372 2.652 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000112309831 473255643 /nfs/dbraw/zinc/25/56/43/473255643.db2.gz LURSOBKUKBFUGS-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142163620 473263543 /nfs/dbraw/zinc/26/35/43/473263543.db2.gz XKAKYICAZZDVPW-UKRRQHHQSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000124600338 473272355 /nfs/dbraw/zinc/27/23/55/473272355.db2.gz RMCVNOKOLMJWEP-KDOFPFPSSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486952186 468015173 /nfs/dbraw/zinc/01/51/73/468015173.db2.gz AEGCLMAAJRVVOV-GFCCVEGCSA-N 1 0 331.376 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000486967781 468015571 /nfs/dbraw/zinc/01/55/71/468015571.db2.gz NMFBYWDYQHONIG-TZMCWYRMSA-N 1 0 329.360 2.684 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000176995547 473282947 /nfs/dbraw/zinc/28/29/47/473282947.db2.gz QGLFBFIEMTZHLR-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1c[nH]c2ccccc12 ZINC000190466078 473284403 /nfs/dbraw/zinc/28/44/03/473284403.db2.gz BTDXGARGLGTOGP-UHFFFAOYSA-N 1 0 340.383 2.760 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000124696900 473288986 /nfs/dbraw/zinc/28/89/86/473288986.db2.gz KNRKQIGCIRMSNZ-OAHLLOKOSA-N 1 0 343.387 2.723 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000162000616 473293073 /nfs/dbraw/zinc/29/30/73/473293073.db2.gz ABYDYDWTUXQRLS-KRWDZBQOSA-N 1 0 333.432 2.908 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)CCc1ccccc1 ZINC000112698340 473296760 /nfs/dbraw/zinc/29/67/60/473296760.db2.gz XRABTWLABNIYGZ-UHFFFAOYSA-N 1 0 330.384 2.511 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167794 473308191 /nfs/dbraw/zinc/30/81/91/473308191.db2.gz KCMDUTJXTQGNBZ-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000148328259 473316581 /nfs/dbraw/zinc/31/65/81/473316581.db2.gz OCDGCJMUCHOYKN-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO CC(C)(NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000162241965 473320360 /nfs/dbraw/zinc/32/03/60/473320360.db2.gz XBMAMJMBIXHHFE-LQDVMPOASA-N 1 0 331.416 2.867 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000083168431 473326369 /nfs/dbraw/zinc/32/63/69/473326369.db2.gz OZCUWQRHRYKDRS-UHFFFAOYSA-N 1 0 346.362 2.777 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000149614514 473329714 /nfs/dbraw/zinc/32/97/14/473329714.db2.gz JSMXMENRFYUYQW-ZIAGYGMSSA-N 1 0 348.447 2.665 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000185108097 473330919 /nfs/dbraw/zinc/33/09/19/473330919.db2.gz MLYZPGBQOTVART-CQSZACIVSA-N 1 0 347.371 2.538 20 5 EFBDRO CCCC[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162451186 473341144 /nfs/dbraw/zinc/34/11/44/473341144.db2.gz RKGGAQDKTOWUAF-UHFFFAOYSA-N 1 0 331.210 2.952 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000150777229 473353586 /nfs/dbraw/zinc/35/35/86/473353586.db2.gz GWWYUQGCNCCFRH-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000185182436 473354079 /nfs/dbraw/zinc/35/40/79/473354079.db2.gz WGQMGOOASSFOJK-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000150829993 473362094 /nfs/dbraw/zinc/36/20/94/473362094.db2.gz FSGPTNVANKOCQE-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177449076 473378846 /nfs/dbraw/zinc/37/88/46/473378846.db2.gz ZOBNJBRHMPERLC-NWDGAFQWSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[NH+]1CCC(N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000125237196 473379748 /nfs/dbraw/zinc/37/97/48/473379748.db2.gz SNUUHVMXKFBZMI-UHFFFAOYSA-N 1 0 337.420 2.528 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185265583 473380088 /nfs/dbraw/zinc/38/00/88/473380088.db2.gz QNMBRLBTQHDXFN-ZIAGYGMSSA-N 1 0 349.406 2.782 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000125257225 473383735 /nfs/dbraw/zinc/38/37/35/473383735.db2.gz PORRKLROZJUCOY-RHSMWYFYSA-N 1 0 329.400 2.570 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177505182 473391407 /nfs/dbraw/zinc/39/14/07/473391407.db2.gz CGCDZNGSYLHWLS-OLZOCXBDSA-N 1 0 339.823 2.780 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000619723157 479866661 /nfs/dbraw/zinc/86/66/61/479866661.db2.gz OJNFYEQCZAPLHV-MRXNPFEDSA-N 1 0 347.415 2.781 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619782646 479883602 /nfs/dbraw/zinc/88/36/02/479883602.db2.gz IEVHVCQHPQNTBD-LLVKDONJSA-N 1 0 331.397 2.896 20 5 EFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000422798784 476781292 /nfs/dbraw/zinc/78/12/92/476781292.db2.gz SUWOGODLCHNESW-OAHLLOKOSA-N 1 0 342.399 2.730 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423975526 477241534 /nfs/dbraw/zinc/24/15/34/477241534.db2.gz CYIKJWMWWNZBFD-LBPRGKRZSA-N 1 0 345.852 2.830 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000420291672 477665865 /nfs/dbraw/zinc/66/58/65/477665865.db2.gz VYERIOLULICTCP-IUCAKERBSA-N 1 0 329.198 2.682 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451465120 478031439 /nfs/dbraw/zinc/03/14/39/478031439.db2.gz ZSTZWQRJAAXQAL-MRXNPFEDSA-N 1 0 329.400 2.796 20 5 EFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155896 478802402 /nfs/dbraw/zinc/80/24/02/478802402.db2.gz TXFKVENEENQCDR-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO CC(C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccnn1C ZINC000602630928 479436052 /nfs/dbraw/zinc/43/60/52/479436052.db2.gz PMKFWMXHWHHQNE-ZDUSSCGKSA-N 1 0 343.387 2.999 20 5 EFBDRO Cc1ncc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000602638769 479441235 /nfs/dbraw/zinc/44/12/35/479441235.db2.gz WNEDTAUBORWLBR-GFCCVEGCSA-N 1 0 330.392 2.596 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1-n1cncn1 ZINC000619847282 479895846 /nfs/dbraw/zinc/89/58/46/479895846.db2.gz NRFSBXUYNSGDCA-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000616394514 479897913 /nfs/dbraw/zinc/89/79/13/479897913.db2.gz AADZKPSGDCIGJB-RYUDHWBXSA-N 1 0 333.413 2.797 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000619868396 479898309 /nfs/dbraw/zinc/89/83/09/479898309.db2.gz OJQLQWUUVCBBGW-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000008375001 471684665 /nfs/dbraw/zinc/68/46/65/471684665.db2.gz IYFHQQXVYIHGKB-UHFFFAOYSA-N 1 0 329.404 2.926 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067026861 471983773 /nfs/dbraw/zinc/98/37/73/471983773.db2.gz MULXHJRZXIEUEX-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000021395100 472000546 /nfs/dbraw/zinc/00/05/46/472000546.db2.gz FOTAUYYLPKANFR-UHFFFAOYSA-N 1 0 344.371 2.742 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000067269054 472012705 /nfs/dbraw/zinc/01/27/05/472012705.db2.gz DQAREKLUQOSQRO-CYBMUJFWSA-N 1 0 333.413 2.997 20 5 EFBDRO CNC(=O)c1ccc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053572173 472020170 /nfs/dbraw/zinc/02/01/70/472020170.db2.gz OAHBAEPWQCZXCF-ZIAGYGMSSA-N 1 0 348.447 2.734 20 5 EFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000053751167 472033964 /nfs/dbraw/zinc/03/39/64/472033964.db2.gz LWJHEDVNMMTUFM-UHFFFAOYSA-N 1 0 328.372 2.848 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040713404 472040230 /nfs/dbraw/zinc/04/02/30/472040230.db2.gz FYOBZAWLFMRSPG-VIFPVBQESA-N 1 0 341.209 2.649 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107857 472047850 /nfs/dbraw/zinc/04/78/50/472047850.db2.gz YUWOQONSOZHESG-INIZCTEOSA-N 1 0 346.362 2.548 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000067548873 472047845 /nfs/dbraw/zinc/04/78/45/472047845.db2.gz MHHQMCLIUQLBCM-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000067571047 472051095 /nfs/dbraw/zinc/05/10/95/472051095.db2.gz FGNPCJOGLGCYLH-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000041319212 472054842 /nfs/dbraw/zinc/05/48/42/472054842.db2.gz ZSASWUSQHFNSOZ-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067593910 472055756 /nfs/dbraw/zinc/05/57/56/472055756.db2.gz AXJUPASMSMYCAW-SFHVURJKSA-N 1 0 339.395 2.876 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000041401762 472061145 /nfs/dbraw/zinc/06/11/45/472061145.db2.gz AGUOYXMCQWZGGI-QGZVFWFLSA-N 1 0 348.447 2.785 20 5 EFBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054181110 472065757 /nfs/dbraw/zinc/06/57/57/472065757.db2.gz FSOIBUQNYRRSSH-OAHLLOKOSA-N 1 0 340.383 2.841 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000067682878 472070717 /nfs/dbraw/zinc/07/07/17/472070717.db2.gz HMXANCFDZXOXIH-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000067722816 472079290 /nfs/dbraw/zinc/07/92/90/472079290.db2.gz GSSPSCFEMAFCIG-AWEZNQCLSA-N 1 0 334.420 2.516 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025330141 472090672 /nfs/dbraw/zinc/09/06/72/472090672.db2.gz VBVCPMAQRITIQB-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1ccc(CC(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000067811184 472092262 /nfs/dbraw/zinc/09/22/62/472092262.db2.gz OXZQMGYEDFKFDZ-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000054647074 472104446 /nfs/dbraw/zinc/10/44/46/472104446.db2.gz XGGVQKWGJFDJTA-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000025632837 472105175 /nfs/dbraw/zinc/10/51/75/472105175.db2.gz JWDKHUVCCRNEOL-AWEZNQCLSA-N 1 0 339.395 2.771 20 5 EFBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000025998958 472120473 /nfs/dbraw/zinc/12/04/73/472120473.db2.gz DJUULSVJQYLIHI-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[N@@H+](Cc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026211161 472127821 /nfs/dbraw/zinc/12/78/21/472127821.db2.gz ZXFJTAALNZTWPF-HNNXBMFYSA-N 1 0 334.347 2.606 20 5 EFBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000026473483 472138457 /nfs/dbraw/zinc/13/84/57/472138457.db2.gz HGAOXZYRGDGITK-NEPJUHHUSA-N 1 0 349.387 2.773 20 5 EFBDRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068134755 472140376 /nfs/dbraw/zinc/14/03/76/472140376.db2.gz YIVNCHSTHMFSFK-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000026711791 472145137 /nfs/dbraw/zinc/14/51/37/472145137.db2.gz WMARJBBVXZRIAH-LBPRGKRZSA-N 1 0 349.456 2.818 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026725686 472146120 /nfs/dbraw/zinc/14/61/20/472146120.db2.gz IVQJQPLNRGSMSN-UHFFFAOYSA-N 1 0 329.404 2.577 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000084250474 472160215 /nfs/dbraw/zinc/16/02/15/472160215.db2.gz MNTSVENBQNXXCD-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000068338388 472170747 /nfs/dbraw/zinc/17/07/47/472170747.db2.gz RFBDWEQIDSOUJY-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000068341923 472172228 /nfs/dbraw/zinc/17/22/28/472172228.db2.gz RQRKAUGGWYPPPG-GXTWGEPZSA-N 1 0 337.445 2.628 20 5 EFBDRO CNc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000027390856 472175331 /nfs/dbraw/zinc/17/53/31/472175331.db2.gz ZHOMEXWOHXXJEA-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CCC1CCC([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000075641486 472175962 /nfs/dbraw/zinc/17/59/62/472175962.db2.gz OPBUBDWJYYYBFQ-KVULBXGLSA-N 1 0 336.436 2.585 20 5 EFBDRO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000075669291 472178710 /nfs/dbraw/zinc/17/87/10/472178710.db2.gz JRDLLCOHUDYIFO-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000027676503 472189854 /nfs/dbraw/zinc/18/98/54/472189854.db2.gz ORHGYLWYLYCNPJ-VIFPVBQESA-N 1 0 325.415 2.751 20 5 EFBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075767214 472194426 /nfs/dbraw/zinc/19/44/26/472194426.db2.gz YILLCPAKJSJRLD-ZWKOTPCHSA-N 1 0 344.415 2.688 20 5 EFBDRO COc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836551 472203613 /nfs/dbraw/zinc/20/36/13/472203613.db2.gz VJKMRWJUIXFJHU-MRXNPFEDSA-N 1 0 333.432 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000043149411 472205900 /nfs/dbraw/zinc/20/59/00/472205900.db2.gz UNUGCYKUOLBYJL-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342729 472225377 /nfs/dbraw/zinc/22/53/77/472225377.db2.gz PABBIEBRBLJTNJ-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO C[NH+](C)C1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCC1 ZINC000068664651 472225381 /nfs/dbraw/zinc/22/53/81/472225381.db2.gz JPQIPFMNNHBASD-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CNc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055749450 472232313 /nfs/dbraw/zinc/23/23/13/472232313.db2.gz CKCYYQBWOGTXHV-HZSPNIEDSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055749941 472234810 /nfs/dbraw/zinc/23/48/10/472234810.db2.gz YQTWPASNQVPKAI-IJLUTSLNSA-N 1 0 325.434 2.753 20 5 EFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068742967 472234849 /nfs/dbraw/zinc/23/48/49/472234849.db2.gz NOIWPWFGEKEMST-UHFFFAOYSA-N 1 0 349.416 2.762 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000085359722 472238658 /nfs/dbraw/zinc/23/86/58/472238658.db2.gz UGHPZMJXJIALJC-OLZOCXBDSA-N 1 0 336.436 2.931 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000085393186 472241723 /nfs/dbraw/zinc/24/17/23/472241723.db2.gz FHDXWLSXEDIWIJ-WWGRRREGSA-N 1 0 334.420 2.637 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000085393190 472242252 /nfs/dbraw/zinc/24/22/52/472242252.db2.gz FHDXWLSXEDIWIJ-XEZPLFJOSA-N 1 0 334.420 2.637 20 5 EFBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076089516 472267344 /nfs/dbraw/zinc/26/73/44/472267344.db2.gz BFHCEGFFCRHDEJ-JKSUJKDBSA-N 1 0 348.403 2.671 20 5 EFBDRO CCCNC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000085864303 472270402 /nfs/dbraw/zinc/27/04/02/472270402.db2.gz LGIWQFBBGXHBIE-UHFFFAOYSA-N 1 0 349.431 2.792 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000056042898 472275178 /nfs/dbraw/zinc/27/51/78/472275178.db2.gz NJYMGERKUOEITA-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO COc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000056042998 472275294 /nfs/dbraw/zinc/27/52/94/472275294.db2.gz GRIXTKPNPBFJKO-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO Cc1c(NC(=O)CCN2CCC[N@@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069084065 472290215 /nfs/dbraw/zinc/29/02/15/472290215.db2.gz ZBSFZVCIFTWXHP-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC4(C3)CCOCC4)o2)cc1 ZINC000076177080 472291808 /nfs/dbraw/zinc/29/18/08/472291808.db2.gz KISWQUIEMUVYIY-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087005165 472296835 /nfs/dbraw/zinc/29/68/35/472296835.db2.gz LKKGFJYULORAIP-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069137654 472297014 /nfs/dbraw/zinc/29/70/14/472297014.db2.gz JDNJSVPAKYJLEG-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087048661 472301330 /nfs/dbraw/zinc/30/13/30/472301330.db2.gz AKSVDJFIWFVOIM-UHFFFAOYSA-N 1 0 333.432 2.859 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044389097 472304837 /nfs/dbraw/zinc/30/48/37/472304837.db2.gz DEHNBZKVMMZITI-GHMZBOCLSA-N 1 0 341.209 2.791 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000087323941 472326203 /nfs/dbraw/zinc/32/62/03/472326203.db2.gz PTFPOKDREQRIJF-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087402195 472333436 /nfs/dbraw/zinc/33/34/36/472333436.db2.gz LJJHQYPHEIXSMQ-MRXNPFEDSA-N 1 0 333.432 2.860 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000030553262 472339594 /nfs/dbraw/zinc/33/95/94/472339594.db2.gz FNICFRLCZLYCKH-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCCC1 ZINC000088252081 472352148 /nfs/dbraw/zinc/35/21/48/472352148.db2.gz XHKUTIMXTIEERY-AWEZNQCLSA-N 1 0 331.416 2.744 20 5 EFBDRO COc1ccc(CN(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000613383093 479982512 /nfs/dbraw/zinc/98/25/12/479982512.db2.gz ZDVKIEXXXIJNBY-UHFFFAOYSA-N 1 0 335.335 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)cc1 ZINC000044977538 472362052 /nfs/dbraw/zinc/36/20/52/472362052.db2.gz AHVSSHCOWMRGSK-LBPRGKRZSA-N 1 0 344.371 2.646 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057005279 472372392 /nfs/dbraw/zinc/37/23/92/472372392.db2.gz ASXBUNBXRJHVGR-UHFFFAOYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057005711 472372483 /nfs/dbraw/zinc/37/24/83/472372483.db2.gz NDPNXHIAEOXAJD-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000057004842 472372589 /nfs/dbraw/zinc/37/25/89/472372589.db2.gz PGYBJYMDINXRQB-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO CC1(C)COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069593285 472376661 /nfs/dbraw/zinc/37/66/61/472376661.db2.gz RHBUWSLJCOUPSS-UHFFFAOYSA-N 1 0 331.372 2.903 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000076681709 472384281 /nfs/dbraw/zinc/38/42/81/472384281.db2.gz RDUOOKGGZWSYKM-INIZCTEOSA-N 1 0 347.415 2.522 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057156515 472387288 /nfs/dbraw/zinc/38/72/88/472387288.db2.gz NNOGISIROYWRIE-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057156514 472387458 /nfs/dbraw/zinc/38/74/58/472387458.db2.gz NNOGISIROYWRIE-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccsc1 ZINC000076715798 472389620 /nfs/dbraw/zinc/38/96/20/472389620.db2.gz NHZHXZRIFQEPTK-LLVKDONJSA-N 1 0 336.421 2.524 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000069688624 472397129 /nfs/dbraw/zinc/39/71/29/472397129.db2.gz YMWZADVXLJEYGI-CYBMUJFWSA-N 1 0 333.413 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000154186828 472400038 /nfs/dbraw/zinc/40/00/38/472400038.db2.gz NTHINUZLJYDZLM-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000154223910 472404251 /nfs/dbraw/zinc/40/42/51/472404251.db2.gz FXNNGTYBWDGICH-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000154223801 472404687 /nfs/dbraw/zinc/40/46/87/472404687.db2.gz FXNNGTYBWDGICH-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000031960827 472404833 /nfs/dbraw/zinc/40/48/33/472404833.db2.gz ZXXBTWIKSAWUCT-UHFFFAOYSA-N 1 0 349.456 2.686 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000069710731 472406931 /nfs/dbraw/zinc/40/69/31/472406931.db2.gz OPAGDFKZMXJAAN-UHFFFAOYSA-N 1 0 326.400 2.744 20 5 EFBDRO COc1cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613389999 479985990 /nfs/dbraw/zinc/98/59/90/479985990.db2.gz PNAFICCZFIYTSS-LRDDRELGSA-N 1 0 348.374 2.997 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000154376159 472424887 /nfs/dbraw/zinc/42/48/87/472424887.db2.gz RKEFNUFJYURJIE-KAFRUAOYSA-N 1 0 329.400 2.551 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000045624138 472435149 /nfs/dbraw/zinc/43/51/49/472435149.db2.gz VFPVQSIICLZWHQ-OAHLLOKOSA-N 1 0 348.428 2.758 20 5 EFBDRO Cc1cc(NCC(C)(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083905 472437496 /nfs/dbraw/zinc/43/74/96/472437496.db2.gz JWJWMGCCTWXCCG-UHFFFAOYSA-N 1 0 337.401 2.687 20 5 EFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000154590233 472449330 /nfs/dbraw/zinc/44/93/30/472449330.db2.gz JWANIXQDVPQLJE-CYBMUJFWSA-N 1 0 343.383 2.972 20 5 EFBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000032709518 472455498 /nfs/dbraw/zinc/45/54/98/472455498.db2.gz VBAVHLDSYWFUSD-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000032732349 472458997 /nfs/dbraw/zinc/45/89/97/472458997.db2.gz NBGCCBYNIVOBEB-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032758301 472464770 /nfs/dbraw/zinc/46/47/70/472464770.db2.gz SKNNAUZSTLXCNR-QGZVFWFLSA-N 1 0 330.384 2.857 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000128575662 472470779 /nfs/dbraw/zinc/47/07/79/472470779.db2.gz UJZAQUIMQWHSKA-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO C[NH+](C)C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCCCC1 ZINC000032837522 472473094 /nfs/dbraw/zinc/47/30/94/472473094.db2.gz PJTSTNNHVSULNZ-UHFFFAOYSA-N 1 0 345.403 2.508 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCn2ccnc2)c1 ZINC000154795187 472473432 /nfs/dbraw/zinc/47/34/32/472473432.db2.gz IHVHCQNLVBSPMA-UHFFFAOYSA-N 1 0 334.401 2.676 20 5 EFBDRO Cc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089643942 472476235 /nfs/dbraw/zinc/47/62/35/472476235.db2.gz WBTOLJKUSYJWFF-ZWKOTPCHSA-N 1 0 341.411 2.951 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089644737 472477424 /nfs/dbraw/zinc/47/74/24/472477424.db2.gz AWSGUAVARLCTFW-MSOLQXFVSA-N 1 0 327.384 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089644736 472478908 /nfs/dbraw/zinc/47/89/08/472478908.db2.gz AWSGUAVARLCTFW-QZTJIDSGSA-N 1 0 327.384 2.642 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609920740 480221693 /nfs/dbraw/zinc/22/16/93/480221693.db2.gz FYPRUWGEVRNYFB-ZDUSSCGKSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@H]3CCOC3)C3CC3)o2)cc1 ZINC000097325295 472490606 /nfs/dbraw/zinc/49/06/06/472490606.db2.gz YVZMPHSKVTYYJJ-GFCCVEGCSA-N 1 0 344.371 2.646 20 5 EFBDRO C[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])[NH+](C)C ZINC000097347010 472491278 /nfs/dbraw/zinc/49/12/78/472491278.db2.gz RXKMQYXBGJDFGM-QMMMGPOBSA-N 1 0 349.172 2.561 20 5 EFBDRO Cc1nccn1CCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000118985796 472517296 /nfs/dbraw/zinc/51/72/96/472517296.db2.gz QKQKDCQVLFCJJY-UHFFFAOYSA-N 1 0 343.431 2.702 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119245658 472538879 /nfs/dbraw/zinc/53/88/79/472538879.db2.gz DBJFDDNSJZKWKE-GFCCVEGCSA-N 1 0 328.796 2.733 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000046338423 472543246 /nfs/dbraw/zinc/54/32/46/472543246.db2.gz LXHUOMQVEMSJDS-CABCVRRESA-N 1 0 348.447 2.999 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000155403948 472545033 /nfs/dbraw/zinc/54/50/33/472545033.db2.gz NOVJSOUAAHQNEV-DOMZBBRYSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000089935291 472552940 /nfs/dbraw/zinc/55/29/40/472552940.db2.gz JFSNJRFXLGMCCI-CJNGLKHVSA-N 1 0 331.372 2.843 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000101953126 472558466 /nfs/dbraw/zinc/55/84/66/472558466.db2.gz URGMBLAWGQFLAD-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000101953132 472558682 /nfs/dbraw/zinc/55/86/82/472558682.db2.gz SHGAECAQQUFVLF-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000089977206 472567812 /nfs/dbraw/zinc/56/78/12/472567812.db2.gz XDFZWOBQQFNCDO-KGLIPLIRSA-N 1 0 332.404 2.994 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC[C@H]3C3CC3)o2)c1 ZINC000090007487 472578719 /nfs/dbraw/zinc/57/87/19/472578719.db2.gz SYLRBOUMXFNOFJ-INIZCTEOSA-N 1 0 343.383 2.903 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000119856443 472592632 /nfs/dbraw/zinc/59/26/32/472592632.db2.gz FUTXCVBDHOCOSE-NXEZZACHSA-N 1 0 338.795 2.995 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071888998 472601840 /nfs/dbraw/zinc/60/18/40/472601840.db2.gz SQUOKMAXWMFDNN-CHWSQXEVSA-N 1 0 349.456 2.676 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071893414 472603242 /nfs/dbraw/zinc/60/32/42/472603242.db2.gz MTTVFEFLCMAPBQ-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071893413 472603581 /nfs/dbraw/zinc/60/35/81/472603581.db2.gz MTTVFEFLCMAPBQ-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000058891112 472610628 /nfs/dbraw/zinc/61/06/28/472610628.db2.gz ASXCZKLERDGZPW-CYBMUJFWSA-N 1 0 325.434 2.897 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058918904 472612551 /nfs/dbraw/zinc/61/25/51/472612551.db2.gz FTDBRLLTHZHADW-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000120044207 472621100 /nfs/dbraw/zinc/62/11/00/472621100.db2.gz VJWCJSMYQKECGF-AWEZNQCLSA-N 1 0 348.424 2.855 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000071954166 472625322 /nfs/dbraw/zinc/62/53/22/472625322.db2.gz UPWNDURBLCIWDP-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000059890559 472630858 /nfs/dbraw/zinc/63/08/58/472630858.db2.gz NNJWCJDXHAJDMM-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000059894201 472632279 /nfs/dbraw/zinc/63/22/79/472632279.db2.gz TUFJQFQWWQMWAE-YVEFUNNKSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550920 472633697 /nfs/dbraw/zinc/63/36/97/472633697.db2.gz PZEPUYSTNRGARA-SUMWQHHRSA-N 1 0 345.374 2.979 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000120118531 472633826 /nfs/dbraw/zinc/63/38/26/472633826.db2.gz SIIKFFPCSUNLFL-CQSZACIVSA-N 1 0 332.404 2.817 20 5 EFBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550919 472633855 /nfs/dbraw/zinc/63/38/55/472633855.db2.gz PZEPUYSTNRGARA-CXAGYDPISA-N 1 0 345.374 2.979 20 5 EFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552053 472634366 /nfs/dbraw/zinc/63/43/66/472634366.db2.gz SSFOZIJYRADJAM-YOEHRIQHSA-N 1 0 327.384 2.635 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046989031 472636098 /nfs/dbraw/zinc/63/60/98/472636098.db2.gz LXSNAKJMNLIFMF-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000155910446 472637962 /nfs/dbraw/zinc/63/79/62/472637962.db2.gz QKMZZWNPZWSTKI-ZDUSSCGKSA-N 1 0 335.404 2.589 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000047016143 472642518 /nfs/dbraw/zinc/64/25/18/472642518.db2.gz HPCQXNJSNAAOIK-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965166 472645195 /nfs/dbraw/zinc/64/51/95/472645195.db2.gz PGOGUFOQEKZOCD-LBPRGKRZSA-N 1 0 348.403 2.595 20 5 EFBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000090619383 472645377 /nfs/dbraw/zinc/64/53/77/472645377.db2.gz RFLAQHBSOXNKIG-CQSZACIVSA-N 1 0 332.404 2.611 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000060358332 472646735 /nfs/dbraw/zinc/64/67/35/472646735.db2.gz YCDACESKAFZYAT-MRXNPFEDSA-N 1 0 334.347 2.956 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000090651415 472647821 /nfs/dbraw/zinc/64/78/21/472647821.db2.gz ACTXIBHIPUXOEU-ZDUSSCGKSA-N 1 0 338.404 2.840 20 5 EFBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156024637 472657199 /nfs/dbraw/zinc/65/71/99/472657199.db2.gz BYRQEGVNRRFNNX-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000047148525 472661286 /nfs/dbraw/zinc/66/12/86/472661286.db2.gz IGHJJQJXDUKFJH-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(C)C(=O)NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090880802 472662101 /nfs/dbraw/zinc/66/21/01/472662101.db2.gz MNOMZZCYDDEGOI-INIZCTEOSA-N 1 0 333.432 2.668 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000090910222 472664227 /nfs/dbraw/zinc/66/42/27/472664227.db2.gz OXXGSNZLKPOIKZ-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000060536447 472664984 /nfs/dbraw/zinc/66/49/84/472664984.db2.gz FOQPTDRUNSADSN-UHFFFAOYSA-N 1 0 347.440 2.903 20 5 EFBDRO CNc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047187925 472665776 /nfs/dbraw/zinc/66/57/76/472665776.db2.gz WQFUCXXQSKPACM-CQSZACIVSA-N 1 0 348.447 2.878 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104530319 472675723 /nfs/dbraw/zinc/67/57/23/472675723.db2.gz GYSGYZNIGPZBNF-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722440 472676433 /nfs/dbraw/zinc/67/64/33/472676433.db2.gz IDIYTWBNXFEGTH-RCBQFDQVSA-N 1 0 349.456 2.818 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131567978 472679097 /nfs/dbraw/zinc/67/90/97/472679097.db2.gz QDCCDGQYCMMCHI-INIZCTEOSA-N 1 0 331.416 2.926 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(F)(F)F ZINC000104678570 472682800 /nfs/dbraw/zinc/68/28/00/472682800.db2.gz YJWHMMHXPRYBHB-UHFFFAOYSA-N 1 0 349.309 2.816 20 5 EFBDRO CNC(=O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061027822 472689444 /nfs/dbraw/zinc/68/94/44/472689444.db2.gz VXUURUJMQFIMOP-UHFFFAOYSA-N 1 0 349.774 2.876 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCOCC1 ZINC000120467542 472694434 /nfs/dbraw/zinc/69/44/34/472694434.db2.gz OWQAHJUHCWLYFN-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000072672857 472697167 /nfs/dbraw/zinc/69/71/67/472697167.db2.gz QCQOBCRJLKQTGK-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156369624 472697845 /nfs/dbraw/zinc/69/78/45/472697845.db2.gz SOXYIKBFRKTFPL-HNNXBMFYSA-N 1 0 329.356 2.522 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000078338065 472698342 /nfs/dbraw/zinc/69/83/42/472698342.db2.gz HTKSTDQPXAFBTP-YPMHNXCESA-N 1 0 335.433 2.885 20 5 EFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091081278 472698597 /nfs/dbraw/zinc/69/85/97/472698597.db2.gz WFBOAUCKXGNQFW-CVEARBPZSA-N 1 0 330.388 2.805 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061510405 472703984 /nfs/dbraw/zinc/70/39/84/472703984.db2.gz ZCNJZKCTZPVJSJ-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CNc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047416189 472707301 /nfs/dbraw/zinc/70/73/01/472707301.db2.gz IYJFKMNVCORBTJ-OKILXGFUSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759007 472712015 /nfs/dbraw/zinc/71/20/15/472712015.db2.gz IYLLGAXMKNDORJ-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156505473 472716271 /nfs/dbraw/zinc/71/62/71/472716271.db2.gz JXKCBXRQNWFPNN-BBRMVZONSA-N 1 0 333.432 2.810 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120614350 472717959 /nfs/dbraw/zinc/71/79/59/472717959.db2.gz BVLSUTJQPYCFHE-AAEUAGOBSA-N 1 0 337.445 2.729 20 5 EFBDRO C[N@@H+]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000047508609 472723585 /nfs/dbraw/zinc/72/35/85/472723585.db2.gz HPWLIKAUMCBRMY-UHFFFAOYSA-N 1 0 348.281 2.664 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072871783 472730391 /nfs/dbraw/zinc/73/03/91/472730391.db2.gz NFZITGSYUCOSTK-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@]1(CO)CCc2ccccc21 ZINC000132413644 472733095 /nfs/dbraw/zinc/73/30/95/472733095.db2.gz HYXVFVDFCKYREA-SFHVURJKSA-N 1 0 328.368 2.527 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC4(C3)CCOCC4)n2)cc1 ZINC000072899331 472737230 /nfs/dbraw/zinc/73/72/30/472737230.db2.gz MUQHRXJQUCIBCV-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000120737907 472738367 /nfs/dbraw/zinc/73/83/67/472738367.db2.gz IXJKTMOPRSSYDT-AWEZNQCLSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000105448324 472752744 /nfs/dbraw/zinc/75/27/44/472752744.db2.gz YRSOBGZJHBXQHZ-UHFFFAOYSA-N 1 0 330.340 2.664 20 5 EFBDRO CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000105471251 472754533 /nfs/dbraw/zinc/75/45/33/472754533.db2.gz BFYZAIDQJPQBFZ-ZDUSSCGKSA-N 1 0 347.440 2.744 20 5 EFBDRO CCOC(=O)c1ccnc(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000133282462 472786864 /nfs/dbraw/zinc/78/68/64/472786864.db2.gz FKKBYUKZPPZFJO-LBPRGKRZSA-N 1 0 338.408 2.555 20 5 EFBDRO CCC[C@@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000121042014 472787422 /nfs/dbraw/zinc/78/74/22/472787422.db2.gz FGWIDIFXVOUOCZ-GFCCVEGCSA-N 1 0 349.387 2.774 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000063694734 472801869 /nfs/dbraw/zinc/80/18/69/472801869.db2.gz UQLHVPHHXCSGHP-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000157288165 472804333 /nfs/dbraw/zinc/80/43/33/472804333.db2.gz ZDGCKCQXVKGUNZ-KIBVIPRGSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000133622108 472824490 /nfs/dbraw/zinc/82/44/90/472824490.db2.gz MGAVJAUVQNGHEB-JTQLQIEISA-N 1 0 331.214 2.562 20 5 EFBDRO O=C(C1CC1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000121260952 472825129 /nfs/dbraw/zinc/82/51/29/472825129.db2.gz KOXRDKQKMZVOAQ-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157868142 472866626 /nfs/dbraw/zinc/86/66/26/472866626.db2.gz VQUDWVUXIHTNIP-DGCLKSJQSA-N 1 0 346.412 2.576 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157868427 472867382 /nfs/dbraw/zinc/86/73/82/472867382.db2.gz VQUDWVUXIHTNIP-WCQYABFASA-N 1 0 346.412 2.576 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000064638350 472867681 /nfs/dbraw/zinc/86/76/81/472867681.db2.gz NTYFNELOABIKHG-LBPRGKRZSA-N 1 0 332.360 2.674 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccncc1 ZINC000121565746 472874065 /nfs/dbraw/zinc/87/40/65/472874065.db2.gz JSDIYNWYBPBYPO-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000106657724 472877435 /nfs/dbraw/zinc/87/74/35/472877435.db2.gz DELLLBGXXAMHPB-STQMWFEESA-N 1 0 331.372 2.902 20 5 EFBDRO CC(C)COC(=O)N1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000158009193 472882220 /nfs/dbraw/zinc/88/22/20/472882220.db2.gz SUQVTRBVBRDTHF-UHFFFAOYSA-N 1 0 349.431 2.984 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064904600 472885478 /nfs/dbraw/zinc/88/54/78/472885478.db2.gz KLVGHFMAVXNELT-KRWDZBQOSA-N 1 0 342.399 2.669 20 5 EFBDRO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000121672043 472888901 /nfs/dbraw/zinc/88/89/01/472888901.db2.gz DTERJOACXUKGQF-ZDUSSCGKSA-N 1 0 346.431 2.752 20 5 EFBDRO COCC[NH+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000158194990 472905151 /nfs/dbraw/zinc/90/51/51/472905151.db2.gz RLEMFYRBOJSEAR-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO COCC[NH+](CCOC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000158210500 472908011 /nfs/dbraw/zinc/90/80/11/472908011.db2.gz CMNKJVGLRIQZPT-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000121768442 472909589 /nfs/dbraw/zinc/90/95/89/472909589.db2.gz HCDBJPZFOFMNHC-UHFFFAOYSA-N 1 0 349.337 2.865 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000073966974 472911521 /nfs/dbraw/zinc/91/15/21/472911521.db2.gz JYIYYFMQDFGNET-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000092455827 472915278 /nfs/dbraw/zinc/91/52/78/472915278.db2.gz PZIKOHPQUNVIQU-LBPRGKRZSA-N 1 0 332.356 2.820 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121849975 472929319 /nfs/dbraw/zinc/92/93/19/472929319.db2.gz MYDNZAPBFCTVMS-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000107324297 472942458 /nfs/dbraw/zinc/94/24/58/472942458.db2.gz MXFHIHUHAZYVFY-UHFFFAOYSA-N 1 0 343.387 2.586 20 5 EFBDRO CC(C)CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000074139684 472950805 /nfs/dbraw/zinc/95/08/05/472950805.db2.gz YYCPSOXXPPDPFC-UHFFFAOYSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080073346 472971767 /nfs/dbraw/zinc/97/17/67/472971767.db2.gz QGGWFYMOGNMITC-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134836041 472973445 /nfs/dbraw/zinc/97/34/45/472973445.db2.gz MPYLYAALZVJAPZ-ZDUSSCGKSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000050009127 472974087 /nfs/dbraw/zinc/97/40/87/472974087.db2.gz NXBPWXVYBRRPMS-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000122140424 472981045 /nfs/dbraw/zinc/98/10/45/472981045.db2.gz JGYJHRGJRLUMNV-MAUKXSAKSA-N 1 0 335.448 2.992 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000092763999 472981088 /nfs/dbraw/zinc/98/10/88/472981088.db2.gz KAXODXMZKRPCKR-GFCCVEGCSA-N 1 0 332.356 2.678 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000074317559 472985888 /nfs/dbraw/zinc/98/58/88/472985888.db2.gz KCTWZMATPAIHOV-RCMYXZNBSA-N 1 0 343.427 2.798 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134913347 472987771 /nfs/dbraw/zinc/98/77/71/472987771.db2.gz HODWYJOKSHEMQQ-NVXWUHKLSA-N 1 0 345.443 2.922 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000134927225 472991679 /nfs/dbraw/zinc/99/16/79/472991679.db2.gz VDIXPXUSYIUSKH-CQSZACIVSA-N 1 0 327.812 2.954 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000122259166 472993949 /nfs/dbraw/zinc/99/39/49/472993949.db2.gz YLPNQGATELWGND-PSYXSKQDSA-N 1 0 349.406 2.936 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000092828978 472996296 /nfs/dbraw/zinc/99/62/96/472996296.db2.gz KEOPTMVNROJTNA-UHFFFAOYSA-N 1 0 337.468 2.839 20 5 EFBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080230969 472999148 /nfs/dbraw/zinc/99/91/48/472999148.db2.gz BYTALFDAEMGYCB-UKRRQHHQSA-N 1 0 329.404 2.793 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000065875702 473021507 /nfs/dbraw/zinc/02/15/07/473021507.db2.gz IKFBXVWQQLHQFX-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051057534 473022052 /nfs/dbraw/zinc/02/20/52/473022052.db2.gz WDHGRBCSXRKZGH-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000108495850 473032402 /nfs/dbraw/zinc/03/24/02/473032402.db2.gz IOAVQWGANKJWFZ-WFASDCNBSA-N 1 0 337.807 2.739 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000080463596 473034585 /nfs/dbraw/zinc/03/45/85/473034585.db2.gz AMIUMTKTPFGHIE-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000080482537 473038482 /nfs/dbraw/zinc/03/84/82/473038482.db2.gz IBNCQLKCQZYKOH-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000122662262 473042796 /nfs/dbraw/zinc/04/27/96/473042796.db2.gz UYMOSJHDBBZQPQ-MRXNPFEDSA-N 1 0 343.383 2.907 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCSC1 ZINC000135274815 473047762 /nfs/dbraw/zinc/04/77/62/473047762.db2.gz MRGKTUOHTOURFO-INIZCTEOSA-N 1 0 349.456 2.523 20 5 EFBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051430206 473047834 /nfs/dbraw/zinc/04/78/34/473047834.db2.gz IFFGFNYGNSHVPV-QGZVFWFLSA-N 1 0 345.399 2.640 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122755956 473054552 /nfs/dbraw/zinc/05/45/52/473054552.db2.gz LVGWWOAKGNLBRM-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCSC1 ZINC000159741143 473056851 /nfs/dbraw/zinc/05/68/51/473056851.db2.gz FUSGBDHHCBAJFM-MRXNPFEDSA-N 1 0 349.456 2.523 20 5 EFBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080617569 473058016 /nfs/dbraw/zinc/05/80/16/473058016.db2.gz LEYCWXFMNOREHX-LBPRGKRZSA-N 1 0 326.828 2.604 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000051563071 473058354 /nfs/dbraw/zinc/05/83/54/473058354.db2.gz VWEGSPSIKVXGAB-UHFFFAOYSA-N 1 0 346.383 2.993 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074763702 473058720 /nfs/dbraw/zinc/05/87/20/473058720.db2.gz JSMXIOALIZVNQE-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000074773481 473061990 /nfs/dbraw/zinc/06/19/90/473061990.db2.gz ARXYSKXEQZEMJI-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000122839012 473063422 /nfs/dbraw/zinc/06/34/22/473063422.db2.gz CRYGVYQFUDZROV-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO CCCC[NH+]1CCC(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000066371801 473083702 /nfs/dbraw/zinc/08/37/02/473083702.db2.gz GLASIVOPIQBNHX-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1C ZINC000123012406 473085911 /nfs/dbraw/zinc/08/59/11/473085911.db2.gz MHIMTQHANAJODC-STQMWFEESA-N 1 0 333.388 2.871 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135562108 473093451 /nfs/dbraw/zinc/09/34/51/473093451.db2.gz XRUKFWUCKWIURN-JKSUJKDBSA-N 1 0 338.429 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCCCO)C2CC2)c1 ZINC000093383367 473097948 /nfs/dbraw/zinc/09/79/48/473097948.db2.gz ORBWLZRLUMLGPS-UHFFFAOYSA-N 1 0 330.331 2.933 20 5 EFBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000135673230 473105733 /nfs/dbraw/zinc/10/57/33/473105733.db2.gz BFZJPJKEYZUXJL-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000080940638 473107824 /nfs/dbraw/zinc/10/78/24/473107824.db2.gz AHSGRCZWVOCZHJ-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1nn(C)c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000052467271 473111645 /nfs/dbraw/zinc/11/16/45/473111645.db2.gz SIGANIIGTXYIQZ-UHFFFAOYSA-N 1 0 347.394 2.852 20 5 EFBDRO CC(C)(C)C[N@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109747892 473118143 /nfs/dbraw/zinc/11/81/43/473118143.db2.gz RWDWJUVLKAXKBN-UHFFFAOYSA-N 1 0 348.403 2.875 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000075063770 473119801 /nfs/dbraw/zinc/11/98/01/473119801.db2.gz CPGJWRJVLPCRJI-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO NC(=O)c1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000052532147 473121153 /nfs/dbraw/zinc/12/11/53/473121153.db2.gz ACVWUWCHXKBZKM-UHFFFAOYSA-N 1 0 339.395 2.901 20 5 EFBDRO CC(C)[NH+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)C ZINC000075108533 473125877 /nfs/dbraw/zinc/12/58/77/473125877.db2.gz WTKMVBLBXRWVHJ-UHFFFAOYSA-N 1 0 336.436 2.555 20 5 EFBDRO Cc1noc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052862966 473156473 /nfs/dbraw/zinc/15/64/73/473156473.db2.gz FZBOHBNYOBKUIP-ZDUSSCGKSA-N 1 0 332.360 2.545 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000136652188 473169450 /nfs/dbraw/zinc/16/94/50/473169450.db2.gz OYVFUTHLFSJZRU-XPTSAGLGSA-N 1 0 341.795 2.590 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665792 473170988 /nfs/dbraw/zinc/17/09/88/473170988.db2.gz JTGDZCBSMHXQTO-MRXNPFEDSA-N 1 0 328.416 2.826 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000094150980 473180739 /nfs/dbraw/zinc/18/07/39/473180739.db2.gz WMNYIXNZBYVJQN-OAHLLOKOSA-N 1 0 331.420 2.914 20 5 EFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136914471 473184655 /nfs/dbraw/zinc/18/46/55/473184655.db2.gz ZPZRIJVNXPCZCW-KZULUSFZSA-N 1 0 343.383 2.937 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000081335059 473186545 /nfs/dbraw/zinc/18/65/45/473186545.db2.gz DWHJHVKLILBDRB-JCVNQNCUSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000081362767 473190763 /nfs/dbraw/zinc/19/07/63/473190763.db2.gz OZYACLFDVZAFBL-DYLGSBMWSA-N 1 0 349.406 2.937 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000081363428 473191940 /nfs/dbraw/zinc/19/19/40/473191940.db2.gz ONRIFKOOUDPEHZ-KXPUMZMLSA-N 1 0 331.416 2.798 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000081421991 473197750 /nfs/dbraw/zinc/19/77/50/473197750.db2.gz YXIKFJKTLXKQSU-UHFFFAOYSA-N 1 0 325.368 2.859 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000161012826 473198841 /nfs/dbraw/zinc/19/88/41/473198841.db2.gz KOEKRQIRMMHZEJ-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000177507722 473393019 /nfs/dbraw/zinc/39/30/19/473393019.db2.gz XSOYGRLNTZDDBB-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000113453396 473395119 /nfs/dbraw/zinc/39/51/19/473395119.db2.gz FAQWNZUAQHJOLC-CYBMUJFWSA-N 1 0 333.432 2.916 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000113453398 473395424 /nfs/dbraw/zinc/39/54/24/473395424.db2.gz FAQWNZUAQHJOLC-ZDUSSCGKSA-N 1 0 333.432 2.916 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000177540195 473395525 /nfs/dbraw/zinc/39/55/25/473395525.db2.gz FAYCCTFIIWOCIC-HUUCEWRRSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000177540166 473396042 /nfs/dbraw/zinc/39/60/42/473396042.db2.gz FAYCCTFIIWOCIC-LSDHHAIUSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177549728 473397994 /nfs/dbraw/zinc/39/79/94/473397994.db2.gz TWZOIIVIOGHUGU-NWDGAFQWSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151155894 473417946 /nfs/dbraw/zinc/41/79/46/473417946.db2.gz JGLNJGPRKKBWOV-UHFFFAOYSA-N 1 0 332.791 2.965 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000185410411 473420059 /nfs/dbraw/zinc/42/00/59/473420059.db2.gz VKXDDXILFUTQLE-NVXWUHKLSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000177809280 473440482 /nfs/dbraw/zinc/44/04/82/473440482.db2.gz ICGRKSBEACHSIU-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000125654483 473441341 /nfs/dbraw/zinc/44/13/41/473441341.db2.gz VOBFVAMWRLBUAS-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000151526248 473468852 /nfs/dbraw/zinc/46/88/52/473468852.db2.gz IRADRSDWIGGLPA-XJKSGUPXSA-N 1 0 332.404 2.851 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164068534 473476890 /nfs/dbraw/zinc/47/68/90/473476890.db2.gz WQXUAAOYSBKUNX-ZBFHGGJFSA-N 1 0 346.431 2.583 20 5 EFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191125120 473484400 /nfs/dbraw/zinc/48/44/00/473484400.db2.gz LMDPROWNFFUKIJ-UHFFFAOYSA-N 1 0 331.372 2.517 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330620 473492268 /nfs/dbraw/zinc/49/22/68/473492268.db2.gz MCVWTFANVXWQQF-HOTGVXAUSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330606 473493020 /nfs/dbraw/zinc/49/30/20/473493020.db2.gz MCVWTFANVXWQQF-CVEARBPZSA-N 1 0 335.448 2.911 20 5 EFBDRO CC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331155 473493356 /nfs/dbraw/zinc/49/33/56/473493356.db2.gz PCUDECDIVNUQEI-ROUUACIJSA-N 1 0 335.448 2.992 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000151824857 473496755 /nfs/dbraw/zinc/49/67/55/473496755.db2.gz DQPVKKCQURKEAF-CQSZACIVSA-N 1 0 343.374 2.969 20 5 EFBDRO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+](C)C1CC1 ZINC000151861463 473501172 /nfs/dbraw/zinc/50/11/72/473501172.db2.gz SJYLKFCWHADAJJ-CYBMUJFWSA-N 1 0 346.431 2.752 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126274760 473504203 /nfs/dbraw/zinc/50/42/03/473504203.db2.gz FPTARIVKXJYNTO-LBPRGKRZSA-N 1 0 337.445 2.557 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165824753 473516958 /nfs/dbraw/zinc/51/69/58/473516958.db2.gz JDPPLOMQCIQSNR-NXEZZACHSA-N 1 0 343.225 2.624 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000152045231 473520175 /nfs/dbraw/zinc/52/01/75/473520175.db2.gz HDRKWOZTLUJLTK-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO Cc1ccnc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000166208064 473522658 /nfs/dbraw/zinc/52/26/58/473522658.db2.gz CKUNQLXSPKTHGO-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO COCC1=CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185872270 473534556 /nfs/dbraw/zinc/53/45/56/473534556.db2.gz FRYURVARIOSLLX-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658524 473543204 /nfs/dbraw/zinc/54/32/04/473543204.db2.gz RQRDDQPOTIDWEL-NUYPLMSZSA-N 1 0 326.418 2.601 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126808818 473548590 /nfs/dbraw/zinc/54/85/90/473548590.db2.gz JEKBRHXLPBTQDZ-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000172208989 473548952 /nfs/dbraw/zinc/54/89/52/473548952.db2.gz MCBGCNHWWYBQHJ-LLVKDONJSA-N 1 0 333.413 2.833 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC(C)(C)C1 ZINC000178766314 473556374 /nfs/dbraw/zinc/55/63/74/473556374.db2.gz UWDULKIYSZKYES-OAHLLOKOSA-N 1 0 335.448 2.616 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000152433683 473562932 /nfs/dbraw/zinc/56/29/32/473562932.db2.gz MNBKQSMTSAMQOJ-CJNGLKHVSA-N 1 0 332.404 2.851 20 5 EFBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000126969389 473564244 /nfs/dbraw/zinc/56/42/44/473564244.db2.gz CAUJJLZUZRCWHI-UHFFFAOYSA-N 1 0 349.431 2.672 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191675717 473567732 /nfs/dbraw/zinc/56/77/32/473567732.db2.gz WNWUJJBHOXCOBU-CQSZACIVSA-N 1 0 337.420 2.618 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000115438126 473568568 /nfs/dbraw/zinc/56/85/68/473568568.db2.gz FQHKCFUCIGHCSK-ZDUSSCGKSA-N 1 0 346.431 2.583 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115442508 473569599 /nfs/dbraw/zinc/56/95/99/473569599.db2.gz BWBPWCYUUJRVFM-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000115440554 473569845 /nfs/dbraw/zinc/56/98/45/473569845.db2.gz QBDLPUZBSPQTDR-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178819473 473570849 /nfs/dbraw/zinc/57/08/49/473570849.db2.gz YPJWIQUOLRGUIQ-VXGBXAGGSA-N 1 0 337.445 2.661 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170648127 473574211 /nfs/dbraw/zinc/57/42/11/473574211.db2.gz YQEPEFAQJVWTIJ-CYBMUJFWSA-N 1 0 335.404 2.941 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000178863554 473580561 /nfs/dbraw/zinc/58/05/61/473580561.db2.gz JSJYMMORRFGEQZ-SFHVURJKSA-N 1 0 333.432 2.579 20 5 EFBDRO O=C(C[NH+](CC1CC1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115563121 473581754 /nfs/dbraw/zinc/58/17/54/473581754.db2.gz BIPGLUXFSLXIAI-UHFFFAOYSA-N 1 0 329.400 2.606 20 5 EFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000170678515 473583414 /nfs/dbraw/zinc/58/34/14/473583414.db2.gz QZEPZEAULRUQMG-UHFFFAOYSA-N 1 0 344.371 2.946 20 5 EFBDRO CN(C)c1noc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898465 473587302 /nfs/dbraw/zinc/58/73/02/473587302.db2.gz MVKZHJUYTGMSGV-JSGCOSHPSA-N 1 0 345.403 2.545 20 5 EFBDRO CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000127352975 473602452 /nfs/dbraw/zinc/60/24/52/473602452.db2.gz ZBHYPCQWGGIXPT-UHFFFAOYSA-N 1 0 331.397 2.597 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178992309 473606735 /nfs/dbraw/zinc/60/67/35/473606735.db2.gz KKBRCYSWEORXEI-RISCZKNCSA-N 1 0 335.429 2.745 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000127491174 473617866 /nfs/dbraw/zinc/61/78/66/473617866.db2.gz CMPIWPSGOIHYDZ-QWHCGFSZSA-N 1 0 335.404 2.910 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)cc1[N+](=O)[O-] ZINC000153335976 473619059 /nfs/dbraw/zinc/61/90/59/473619059.db2.gz ULWQDBFSPCXQHI-OCCSQVGLSA-N 1 0 337.420 2.805 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172509232 473628951 /nfs/dbraw/zinc/62/89/51/473628951.db2.gz NSIMGVCFGZZQPO-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127649176 473636808 /nfs/dbraw/zinc/63/68/08/473636808.db2.gz ICXKSMORPQZHKF-DYVFJYSZSA-N 1 0 331.416 2.955 20 5 EFBDRO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000170899201 473643268 /nfs/dbraw/zinc/64/32/68/473643268.db2.gz VOUDFDRXQXTFPJ-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000116277965 473645659 /nfs/dbraw/zinc/64/56/59/473645659.db2.gz DXBOELMNBGLTHY-IUODEOHRSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000192194126 473645982 /nfs/dbraw/zinc/64/59/82/473645982.db2.gz WBWFYOXFQYITQO-IUODEOHRSA-N 1 0 335.429 2.528 20 5 EFBDRO CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000116277968 473646076 /nfs/dbraw/zinc/64/60/76/473646076.db2.gz DXBOELMNBGLTHY-DOMZBBRYSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000170917195 473646373 /nfs/dbraw/zinc/64/63/73/473646373.db2.gz RRFJWMUFEYPWOT-ZDUSSCGKSA-N 1 0 331.372 2.903 20 5 EFBDRO CN(C(=O)C[NH+]1CCc2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000116301540 473649231 /nfs/dbraw/zinc/64/92/31/473649231.db2.gz IYBBXXAJOAMOMI-UHFFFAOYSA-N 1 0 339.395 2.658 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000154016330 473659220 /nfs/dbraw/zinc/65/92/20/473659220.db2.gz JMXCBSWFWHBPQE-KRWDZBQOSA-N 1 0 330.384 2.775 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000154023792 473660365 /nfs/dbraw/zinc/66/03/65/473660365.db2.gz SQMIPSUDAKGBAZ-CYBMUJFWSA-N 1 0 349.456 2.921 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172786394 473684036 /nfs/dbraw/zinc/68/40/36/473684036.db2.gz YKBDDLVMEBMEOH-ZDUSSCGKSA-N 1 0 346.431 2.648 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172788256 473684194 /nfs/dbraw/zinc/68/41/94/473684194.db2.gz WCEYTMYGZFDDRW-ZDUSSCGKSA-N 1 0 346.431 2.648 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])s1 ZINC000192488791 473685217 /nfs/dbraw/zinc/68/52/17/473685217.db2.gz IEBHNODDEJURPW-UHFFFAOYSA-N 1 0 342.371 2.898 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186570408 473691541 /nfs/dbraw/zinc/69/15/41/473691541.db2.gz LYJNBCCRVUJYOO-AAEUAGOBSA-N 1 0 337.445 2.729 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576833 473692390 /nfs/dbraw/zinc/69/23/90/473692390.db2.gz SRENLHHKDNCXPC-ZBFHGGJFSA-N 1 0 342.823 2.904 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000179572842 473695417 /nfs/dbraw/zinc/69/54/17/473695417.db2.gz NACGJGJFVVHAAO-MRXNPFEDSA-N 1 0 348.374 2.999 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600460 473695989 /nfs/dbraw/zinc/69/59/89/473695989.db2.gz CQUFRTQAWVVINA-QGZVFWFLSA-N 1 0 325.368 2.861 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274006009 473701415 /nfs/dbraw/zinc/70/14/15/473701415.db2.gz UHAHOUUUOYSJMN-DZGCQCFKSA-N 1 0 327.388 2.707 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245448990 473703109 /nfs/dbraw/zinc/70/31/09/473703109.db2.gz NIRSKPDRYHAAPC-GOEBONIOSA-N 1 0 348.447 2.728 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192741059 473716791 /nfs/dbraw/zinc/71/67/91/473716791.db2.gz XUOVKPICZVWBOQ-UHFFFAOYSA-N 1 0 344.419 2.843 20 5 EFBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000269181456 473720938 /nfs/dbraw/zinc/72/09/38/473720938.db2.gz IDRNTZIZKFHSGG-WDEREUQCSA-N 1 0 333.413 2.927 20 5 EFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000269194723 473727491 /nfs/dbraw/zinc/72/74/91/473727491.db2.gz ZJFXGFQBEQKFFD-VIFPVBQESA-N 1 0 345.321 2.813 20 5 EFBDRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000179812537 473731540 /nfs/dbraw/zinc/73/15/40/473731540.db2.gz QXUARNGFBOQLOY-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000269216453 473734598 /nfs/dbraw/zinc/73/45/98/473734598.db2.gz KPZQEPUXTBRIRQ-UHFFFAOYSA-N 1 0 336.436 2.731 20 5 EFBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173051497 473734992 /nfs/dbraw/zinc/73/49/92/473734992.db2.gz FTGACRKFAANGQT-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173051501 473735062 /nfs/dbraw/zinc/73/50/62/473735062.db2.gz FTGACRKFAANGQT-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC[NH+](C2CC2)CC1 ZINC000192834426 473735129 /nfs/dbraw/zinc/73/51/29/473735129.db2.gz JFUNKBJSQCIZAT-UHFFFAOYSA-N 1 0 340.383 2.956 20 5 EFBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH2+]CC1 ZINC000269222064 473737362 /nfs/dbraw/zinc/73/73/62/473737362.db2.gz BNYHQLYZLRVUGK-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000192884617 473742085 /nfs/dbraw/zinc/74/20/85/473742085.db2.gz MBEXJAJTXVCAPB-KBXCAEBGSA-N 1 0 333.432 2.530 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000269235808 473743833 /nfs/dbraw/zinc/74/38/33/473743833.db2.gz WTRIGFSTAKNRGG-AWEZNQCLSA-N 1 0 331.372 2.978 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000179869699 473745794 /nfs/dbraw/zinc/74/57/94/473745794.db2.gz ZGJGNZDPKKRBIG-ZDUSSCGKSA-N 1 0 335.404 2.637 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCCC1 ZINC000192945908 473750140 /nfs/dbraw/zinc/75/01/40/473750140.db2.gz OWRLTTHZMIKMAB-UHFFFAOYSA-N 1 0 334.420 2.612 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186758548 473750342 /nfs/dbraw/zinc/75/03/42/473750342.db2.gz GEQIERODNCWDPB-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1 ZINC000274170733 473751379 /nfs/dbraw/zinc/75/13/79/473751379.db2.gz IJVHAMIUQNTGGN-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173138346 473753327 /nfs/dbraw/zinc/75/33/27/473753327.db2.gz BKYINNRLGNMZGJ-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192981244 473756445 /nfs/dbraw/zinc/75/64/45/473756445.db2.gz DJNLHMSZFXHTPF-SFHVURJKSA-N 1 0 339.395 2.903 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173208154 473770177 /nfs/dbraw/zinc/77/01/77/473770177.db2.gz FBCKCEWYWIHGSY-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000186865391 473770893 /nfs/dbraw/zinc/77/08/93/473770893.db2.gz LTJCLVVHMIKODL-TZMCWYRMSA-N 1 0 349.456 2.873 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000281607948 473783135 /nfs/dbraw/zinc/78/31/35/473783135.db2.gz DUUWXCBQWJLBGD-UHFFFAOYSA-N 1 0 339.823 2.735 20 5 EFBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180063263 473789168 /nfs/dbraw/zinc/78/91/68/473789168.db2.gz IKYCAVAFEXDFNU-ZDUSSCGKSA-N 1 0 343.383 2.942 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000173284649 473793885 /nfs/dbraw/zinc/79/38/85/473793885.db2.gz HIPLKJLTDYAYMS-SFHVURJKSA-N 1 0 341.411 2.865 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246211069 473797595 /nfs/dbraw/zinc/79/75/95/473797595.db2.gz SSMLXPKFFPMTHR-CABCVRRESA-N 1 0 333.432 2.764 20 5 EFBDRO COCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000193727375 473803697 /nfs/dbraw/zinc/80/36/97/473803697.db2.gz SHWCKSRYHFYCQO-UHFFFAOYSA-N 1 0 347.337 2.772 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000287985585 473816467 /nfs/dbraw/zinc/81/64/67/473816467.db2.gz RLUKRJHUUFLQDZ-GFCCVEGCSA-N 1 0 344.371 2.797 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173368271 473817596 /nfs/dbraw/zinc/81/75/96/473817596.db2.gz UUZMNLKGZGKJMA-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO CC1CC[NH+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193959078 473823922 /nfs/dbraw/zinc/82/39/22/473823922.db2.gz YZHNNRXWYATIIX-UHFFFAOYSA-N 1 0 332.404 2.623 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173392262 473824937 /nfs/dbraw/zinc/82/49/37/473824937.db2.gz RHGSASRSDGJVGH-ZDUSSCGKSA-N 1 0 325.368 2.835 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194012811 473827244 /nfs/dbraw/zinc/82/72/44/473827244.db2.gz YTJKVJJJSSLDHQ-ZDUSSCGKSA-N 1 0 336.392 2.667 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173407212 473828396 /nfs/dbraw/zinc/82/83/96/473828396.db2.gz MWJPZWVOSFNGBJ-CQSZACIVSA-N 1 0 327.384 2.604 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000288041795 473831688 /nfs/dbraw/zinc/83/16/88/473831688.db2.gz DMWIEVPWFLOEJG-AWEZNQCLSA-N 1 0 335.383 2.974 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000194091306 473841585 /nfs/dbraw/zinc/84/15/85/473841585.db2.gz LKGOXPSPEBSPNC-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000194091289 473841740 /nfs/dbraw/zinc/84/17/40/473841740.db2.gz LKGOXPSPEBSPNC-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281807972 473844807 /nfs/dbraw/zinc/84/48/07/473844807.db2.gz YTVKGVXPCDBRFE-GJZGRUSLSA-N 1 0 329.404 2.811 20 5 EFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180294223 473848452 /nfs/dbraw/zinc/84/84/52/473848452.db2.gz QUADXJGQGRGTIZ-GFCCVEGCSA-N 1 0 331.372 2.669 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000173476491 473848507 /nfs/dbraw/zinc/84/85/07/473848507.db2.gz CMFMJFWUQBTPQS-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000274513094 473857247 /nfs/dbraw/zinc/85/72/47/473857247.db2.gz VDAGYYYHKNMPDI-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000269704754 473869129 /nfs/dbraw/zinc/86/91/29/473869129.db2.gz ZGLQEJNRDHJYRI-NVXWUHKLSA-N 1 0 348.378 2.519 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000180413770 473872324 /nfs/dbraw/zinc/87/23/24/473872324.db2.gz DOKXDFLCLHNTBS-WBVHZDCISA-N 1 0 335.448 2.821 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000288208578 473876253 /nfs/dbraw/zinc/87/62/53/473876253.db2.gz LKLYFIUVSHQXPC-DZGCQCFKSA-N 1 0 329.404 2.712 20 5 EFBDRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180446691 473879482 /nfs/dbraw/zinc/87/94/82/473879482.db2.gz GBJBOVXQESLEEW-GFCCVEGCSA-N 1 0 333.413 2.932 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180443763 473879694 /nfs/dbraw/zinc/87/96/94/473879694.db2.gz FQTNOOAVONOHKR-CXAGYDPISA-N 1 0 348.374 2.962 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn(CCOC)c2)cc1[N+](=O)[O-] ZINC000281914913 473883438 /nfs/dbraw/zinc/88/34/38/473883438.db2.gz AEYFQRJDLFGGGM-ZDUSSCGKSA-N 1 0 348.403 2.687 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(CCOC)c2)cc1[N+](=O)[O-] ZINC000281914911 473883541 /nfs/dbraw/zinc/88/35/41/473883541.db2.gz AEYFQRJDLFGGGM-CYBMUJFWSA-N 1 0 348.403 2.687 20 5 EFBDRO C[NH+](C)CC1(Nc2ncc([N+](=O)[O-])cc2Br)CCC1 ZINC000281917505 473884135 /nfs/dbraw/zinc/88/41/35/473884135.db2.gz QEIGAVYNZWNSOS-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+](C)Cc1ccccc1 ZINC000173605582 473888755 /nfs/dbraw/zinc/88/87/55/473888755.db2.gz ZBLZOVUCTLENNM-ZDUSSCGKSA-N 1 0 331.372 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c2c(c1)COCO2 ZINC000269936455 473925379 /nfs/dbraw/zinc/92/53/79/473925379.db2.gz OCVBHCRSKCOFDI-USXIJHARSA-N 1 0 346.383 2.509 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OCCO ZINC000288379764 473925525 /nfs/dbraw/zinc/92/55/25/473925525.db2.gz FXJFVOVRMWOXOZ-UHFFFAOYSA-N 1 0 334.372 2.732 20 5 EFBDRO Cc1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C)c([N+](=O)[O-])c1 ZINC000269942860 473928056 /nfs/dbraw/zinc/92/80/56/473928056.db2.gz PJLOJWGGFFLERL-UHFFFAOYSA-N 1 0 333.417 2.650 20 5 EFBDRO CS[C@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274709100 473928737 /nfs/dbraw/zinc/92/87/37/473928737.db2.gz XDHQVNDKKZIZDN-SJORKVTESA-N 1 0 349.456 2.813 20 5 EFBDRO COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000282054495 473932321 /nfs/dbraw/zinc/93/23/21/473932321.db2.gz PMRXZZFWBFOOBA-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000269989489 473944720 /nfs/dbraw/zinc/94/47/20/473944720.db2.gz GDVHZQUGNGZROX-KCQAQPDRSA-N 1 0 329.404 2.785 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000270003013 473950396 /nfs/dbraw/zinc/95/03/96/473950396.db2.gz YRJPDLIPHOIMPG-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000264135149 473954275 /nfs/dbraw/zinc/95/42/75/473954275.db2.gz XKJDMKJYEASERY-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CN1C(=O)CCc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000274779644 473955559 /nfs/dbraw/zinc/95/55/59/473955559.db2.gz KGYBBBLYJUCDDU-UHFFFAOYSA-N 1 0 339.395 2.836 20 5 EFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000270014686 473955553 /nfs/dbraw/zinc/95/55/53/473955553.db2.gz SUDAYMSASXBLKA-UHFFFAOYSA-N 1 0 330.388 2.563 20 5 EFBDRO CSc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000188030222 473958007 /nfs/dbraw/zinc/95/80/07/473958007.db2.gz NNPZLDIPROEIMR-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274793651 473962977 /nfs/dbraw/zinc/96/29/77/473962977.db2.gz SIYQXKQEMCPSNW-HNNXBMFYSA-N 1 0 329.404 2.651 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246794275 473965227 /nfs/dbraw/zinc/96/52/27/473965227.db2.gz RJRQKVJZNQYTRQ-YOEHRIQHSA-N 1 0 347.415 2.733 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288524996 473970224 /nfs/dbraw/zinc/97/02/24/473970224.db2.gz UEKHPXGXUCUYSI-UHFFFAOYSA-N 1 0 325.368 2.551 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000270060360 473972700 /nfs/dbraw/zinc/97/27/00/473972700.db2.gz WZHXAYYNKLAMOK-RYQLBKOJSA-N 1 0 347.459 2.616 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@H]1O ZINC000270073728 473978799 /nfs/dbraw/zinc/97/87/99/473978799.db2.gz IKWLQHCXFSHPIW-GDBMZVCRSA-N 1 0 345.399 2.885 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2cc(N)ccc2[N+](=O)[O-])cc1 ZINC000282198057 473979033 /nfs/dbraw/zinc/97/90/33/473979033.db2.gz LKQMGFFOUPPQNX-UHFFFAOYSA-N 1 0 344.415 2.772 20 5 EFBDRO CCc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174072557 473982153 /nfs/dbraw/zinc/98/21/53/473982153.db2.gz CBQJEENKHYJQED-UHFFFAOYSA-N 1 0 331.416 2.858 20 5 EFBDRO CSc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000188164393 474005848 /nfs/dbraw/zinc/00/58/48/474005848.db2.gz SIQNTHXIYJOGMB-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1[N+](=O)[O-] ZINC000282277902 474006926 /nfs/dbraw/zinc/00/69/26/474006926.db2.gz QFRBCKADXZPUKK-UHFFFAOYSA-N 1 0 348.428 2.819 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111444 474008036 /nfs/dbraw/zinc/00/80/36/474008036.db2.gz OWIPUYTXHIDTDN-YVEFUNNKSA-N 1 0 325.368 2.659 20 5 EFBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000195113636 474008487 /nfs/dbraw/zinc/00/84/87/474008487.db2.gz NPIFBFDTHSRZPL-AWEZNQCLSA-N 1 0 340.383 2.902 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246951151 474013888 /nfs/dbraw/zinc/01/38/88/474013888.db2.gz XEJJTLQDEIPKTQ-ZQIUZPCESA-N 1 0 347.415 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264517073 474020981 /nfs/dbraw/zinc/02/09/81/474020981.db2.gz VAGURBAFWJURMY-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282330053 474024103 /nfs/dbraw/zinc/02/41/03/474024103.db2.gz FSFSYBIOOHRRDK-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000188226640 474026393 /nfs/dbraw/zinc/02/63/93/474026393.db2.gz QJGQQRHXSMKBNW-OCCSQVGLSA-N 1 0 349.456 2.873 20 5 EFBDRO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000174369339 474030545 /nfs/dbraw/zinc/03/05/45/474030545.db2.gz QDSKBDSTXQNCJO-CYBMUJFWSA-N 1 0 326.418 2.810 20 5 EFBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2cccc([N+](=O)[O-])c2C)O1 ZINC000282359179 474036288 /nfs/dbraw/zinc/03/62/88/474036288.db2.gz DDVHOGGFEKEWJV-QYHDQYMBSA-N 1 0 348.399 2.587 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181501759 474041227 /nfs/dbraw/zinc/04/12/27/474041227.db2.gz OBSIPPBYPPUYDR-UKRRQHHQSA-N 1 0 331.416 2.978 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181506029 474041459 /nfs/dbraw/zinc/04/14/59/474041459.db2.gz SSKNVHNTCDGRBZ-VXGBXAGGSA-N 1 0 329.356 2.978 20 5 EFBDRO O=C(CC[N@@H+]1CCCc2occc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000288762243 474043571 /nfs/dbraw/zinc/04/35/71/474043571.db2.gz IYSFZRPPJFAHHC-UHFFFAOYSA-N 1 0 329.356 2.965 20 5 EFBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264583323 474049047 /nfs/dbraw/zinc/04/90/47/474049047.db2.gz KAWMFRGEAGXJFK-OAHLLOKOSA-N 1 0 345.399 2.665 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000270269785 474053162 /nfs/dbraw/zinc/05/31/62/474053162.db2.gz TUQOIKIRMROSDZ-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270272759 474054541 /nfs/dbraw/zinc/05/45/41/474054541.db2.gz UGCZIVIMURHODS-QGZVFWFLSA-N 1 0 345.443 2.636 20 5 EFBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000174524193 474056437 /nfs/dbraw/zinc/05/64/37/474056437.db2.gz ODEKKEVGPWFONX-UHFFFAOYSA-N 1 0 341.367 2.500 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181668970 474056615 /nfs/dbraw/zinc/05/66/15/474056615.db2.gz CWFMQHDHMCSVAP-JSGCOSHPSA-N 1 0 346.431 2.681 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000195334480 474060444 /nfs/dbraw/zinc/06/04/44/474060444.db2.gz DIUWPPASFXYHFC-AWEZNQCLSA-N 1 0 335.383 2.974 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270291666 474060556 /nfs/dbraw/zinc/06/05/56/474060556.db2.gz XBAVMVFSRCWDPM-MRXNPFEDSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181885810 474067208 /nfs/dbraw/zinc/06/72/08/474067208.db2.gz WKAVWHZYKYFKTI-ZDUSSCGKSA-N 1 0 335.404 2.542 20 5 EFBDRO Cc1cccc(NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000188369084 474073064 /nfs/dbraw/zinc/07/30/64/474073064.db2.gz MCWADGRYNAZEOY-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO COc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000181984363 474074898 /nfs/dbraw/zinc/07/48/98/474074898.db2.gz KSEAFTQUUNWWPL-UHFFFAOYSA-N 1 0 330.384 2.906 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282463679 474075051 /nfs/dbraw/zinc/07/50/51/474075051.db2.gz NCPFYJZAPFWFJC-UHFFFAOYSA-N 1 0 343.811 2.718 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000282468170 474075932 /nfs/dbraw/zinc/07/59/32/474075932.db2.gz PFDACEJYHUAMRF-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1cccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000195450761 474076147 /nfs/dbraw/zinc/07/61/47/474076147.db2.gz WPDOHACISVXPSF-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1nn(C)c2ncc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc12 ZINC000282495798 474086525 /nfs/dbraw/zinc/08/65/25/474086525.db2.gz QHMLYECQICEWKI-UHFFFAOYSA-N 1 0 339.399 2.859 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270366878 474091018 /nfs/dbraw/zinc/09/10/18/474091018.db2.gz LWFPLOXTZUADTG-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000182069728 474091958 /nfs/dbraw/zinc/09/19/58/474091958.db2.gz LFPACCWOLFEKRG-GFCCVEGCSA-N 1 0 333.413 2.907 20 5 EFBDRO C[C@H](C(=O)NCc1cccs1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282519722 474096823 /nfs/dbraw/zinc/09/68/23/474096823.db2.gz TUUZKDWUWYNRGH-CYBMUJFWSA-N 1 0 347.440 2.836 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000182098595 474098415 /nfs/dbraw/zinc/09/84/15/474098415.db2.gz DVKUFYRVPVFJRY-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO CCC[C@@]1(CO)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288949921 474101540 /nfs/dbraw/zinc/10/15/40/474101540.db2.gz XKYSFXGLWXLXBH-RDTXWAMCSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174822217 474103732 /nfs/dbraw/zinc/10/37/32/474103732.db2.gz LSPXUWYGTRQPKB-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000264728996 474106146 /nfs/dbraw/zinc/10/61/46/474106146.db2.gz IOYNTZISWLAUEO-UHFFFAOYSA-N 1 0 332.360 2.506 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000174864483 474108112 /nfs/dbraw/zinc/10/81/12/474108112.db2.gz PFSAFKNKFSOCIC-UHFFFAOYSA-N 1 0 340.387 2.547 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N@@H+]1CCCOCC1 ZINC000188492670 474110250 /nfs/dbraw/zinc/11/02/50/474110250.db2.gz XXOVXOQFSQHYNF-UHFFFAOYSA-N 1 0 333.310 2.748 20 5 EFBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182165010 474112751 /nfs/dbraw/zinc/11/27/51/474112751.db2.gz HQMRLWPMASTTGT-BBRMVZONSA-N 1 0 346.383 2.733 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182167185 474113424 /nfs/dbraw/zinc/11/34/24/474113424.db2.gz RXGCGQAYFBSXMR-ZDUSSCGKSA-N 1 0 334.397 2.719 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275241214 474116123 /nfs/dbraw/zinc/11/61/23/474116123.db2.gz OOXKQMHOZATHRK-HZPDHXFCSA-N 1 0 335.404 2.779 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176255 474116235 /nfs/dbraw/zinc/11/62/35/474116235.db2.gz PMPFANFFDVAMMF-CABCVRRESA-N 1 0 330.384 2.994 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000247315979 474117296 /nfs/dbraw/zinc/11/72/96/474117296.db2.gz HTAOUVUXKCJMON-SJCJKPOMSA-N 1 0 344.415 2.878 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182196450 474120636 /nfs/dbraw/zinc/12/06/36/474120636.db2.gz BDDRPJWDWHBUKZ-GFCCVEGCSA-N 1 0 328.796 2.733 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247343779 474124593 /nfs/dbraw/zinc/12/45/93/474124593.db2.gz NRGFSWQEBHUOMS-SJKOYZFVSA-N 1 0 344.371 2.818 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000264791363 474128691 /nfs/dbraw/zinc/12/86/91/474128691.db2.gz AOXVNIVTMQRKTH-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182233479 474128686 /nfs/dbraw/zinc/12/86/86/474128686.db2.gz DPOKSJVMZORZSW-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000264796796 474129538 /nfs/dbraw/zinc/12/95/38/474129538.db2.gz BOUHROGNUKMPHS-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000275298449 474134989 /nfs/dbraw/zinc/13/49/89/474134989.db2.gz MOTQOQPLQVCCHG-RDJZCZTQSA-N 1 0 330.388 2.565 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275299830 474135755 /nfs/dbraw/zinc/13/57/55/474135755.db2.gz ZIBQVCUJCQBPHX-GXTWGEPZSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264814383 474136708 /nfs/dbraw/zinc/13/67/08/474136708.db2.gz WFMUPJGRQQWPII-CYBMUJFWSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000215259655 474138269 /nfs/dbraw/zinc/13/82/69/474138269.db2.gz PTOYIKDOFXVZTP-UHFFFAOYSA-N 1 0 334.203 2.973 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247476777 474156298 /nfs/dbraw/zinc/15/62/98/474156298.db2.gz VTMOUJQOCLXOLX-AVGNSLFASA-N 1 0 333.388 2.662 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247527347 474173181 /nfs/dbraw/zinc/17/31/81/474173181.db2.gz NXWQMVVYCRXRHX-CXHZTBPHSA-N 1 0 334.416 2.988 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188717248 474175168 /nfs/dbraw/zinc/17/51/68/474175168.db2.gz ZLCYDHMTHXIKDR-STQMWFEESA-N 1 0 349.431 2.762 20 5 EFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000247690583 474200674 /nfs/dbraw/zinc/20/06/74/474200674.db2.gz QYFSLOKWZODDBU-SWLSCSKDSA-N 1 0 342.399 2.602 20 5 EFBDRO Cn1ncc(Cl)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000275478859 474201720 /nfs/dbraw/zinc/20/17/20/474201720.db2.gz JRKBNSFXVBVCEC-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289262758 474201784 /nfs/dbraw/zinc/20/17/84/474201784.db2.gz OMVWQILULXDHRH-SUMWQHHRSA-N 1 0 349.456 2.678 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000282829282 474209498 /nfs/dbraw/zinc/20/94/98/474209498.db2.gz LHQNINFIVSZYLE-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000275502498 474210999 /nfs/dbraw/zinc/21/09/99/474210999.db2.gz CCYCZTHRCQRIFE-OAHLLOKOSA-N 1 0 344.371 2.961 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCOCC1 ZINC000188835953 474212024 /nfs/dbraw/zinc/21/20/24/474212024.db2.gz FJUFAGSBVCPBHA-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(O)CCOCC1 ZINC000188843781 474214809 /nfs/dbraw/zinc/21/48/09/474214809.db2.gz HZIKHXQTGIPOPV-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275519445 474218398 /nfs/dbraw/zinc/21/83/98/474218398.db2.gz IVYOYYCCXZVZLT-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000282852168 474219723 /nfs/dbraw/zinc/21/97/23/474219723.db2.gz SHCLTTQQUCXHEK-AWEZNQCLSA-N 1 0 347.415 2.740 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289308645 474220032 /nfs/dbraw/zinc/22/00/32/474220032.db2.gz AHMMTFICBJJATO-ZYHUDNBSSA-N 1 0 338.795 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCOCC34CCCC4)n2)cc1 ZINC000270693014 474223823 /nfs/dbraw/zinc/22/38/23/474223823.db2.gz WMUBMNWNACIOHP-UHFFFAOYSA-N 1 0 344.371 2.790 20 5 EFBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270707364 474230417 /nfs/dbraw/zinc/23/04/17/474230417.db2.gz HBORFMKAZVJQIJ-JTQLQIEISA-N 1 0 343.811 2.668 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270735365 474242501 /nfs/dbraw/zinc/24/25/01/474242501.db2.gz SJBOQEZMRAXWFY-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000282925509 474243412 /nfs/dbraw/zinc/24/34/12/474243412.db2.gz WUENZQIBYPHQLY-KBPBESRZSA-N 1 0 347.415 2.692 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000188962749 474246544 /nfs/dbraw/zinc/24/65/44/474246544.db2.gz ZBJKXBAICNLIRY-UHFFFAOYSA-N 1 0 332.448 2.593 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000275610319 474251247 /nfs/dbraw/zinc/25/12/47/474251247.db2.gz IILDIIWRKWRFFR-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265566063 474255212 /nfs/dbraw/zinc/25/52/12/474255212.db2.gz NDFILBOVDNVCEO-UHFFFAOYSA-N 1 0 327.812 2.637 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000275639585 474261282 /nfs/dbraw/zinc/26/12/82/474261282.db2.gz NRUJDIGTJMUUOQ-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+]1CCOCC1 ZINC000265597718 474263981 /nfs/dbraw/zinc/26/39/81/474263981.db2.gz RBIVFMMSXIQRMJ-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000231630157 474264249 /nfs/dbraw/zinc/26/42/49/474264249.db2.gz WFDCYOAPTHQXAZ-BDAKNGLRSA-N 1 0 329.198 2.647 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000231629284 474264461 /nfs/dbraw/zinc/26/44/61/474264461.db2.gz KMZJVJKAJLOZGX-JTQLQIEISA-N 1 0 343.225 2.895 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175688210 474282496 /nfs/dbraw/zinc/28/24/96/474282496.db2.gz LYHJLTOFKZYBRI-UHFFFAOYSA-N 1 0 346.431 2.801 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000182902791 474282631 /nfs/dbraw/zinc/28/26/31/474282631.db2.gz FEXSHRIXRCLBOY-KRWDZBQOSA-N 1 0 343.383 2.555 20 5 EFBDRO CCCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236829512 474290454 /nfs/dbraw/zinc/29/04/54/474290454.db2.gz OPWJOIOXJUBBBH-GQCTYLIASA-N 1 0 335.379 2.738 20 5 EFBDRO COCC[NH+]1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189119781 474296356 /nfs/dbraw/zinc/29/63/56/474296356.db2.gz LGKGDIQFSWBBDV-UHFFFAOYSA-N 1 0 349.431 2.559 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000189120390 474297486 /nfs/dbraw/zinc/29/74/86/474297486.db2.gz PNMDPHQWBATKJA-ZDUSSCGKSA-N 1 0 349.431 2.764 20 5 EFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CCC2)c1 ZINC000289520016 474306114 /nfs/dbraw/zinc/30/61/14/474306114.db2.gz NTWZDMQTXBVDHR-UHFFFAOYSA-N 1 0 332.141 2.842 20 5 EFBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248448298 474327511 /nfs/dbraw/zinc/32/75/11/474327511.db2.gz HQMRLWPMASTTGT-CZUORRHYSA-N 1 0 346.383 2.733 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000275814530 474327749 /nfs/dbraw/zinc/32/77/49/474327749.db2.gz VXUSFRPWIMPCPW-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO C[S@](=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183120764 474333413 /nfs/dbraw/zinc/33/34/13/474333413.db2.gz OVDHFILXVKWQQR-SBUREZEXSA-N 1 0 332.425 2.847 20 5 EFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH2+]CC1 ZINC000237116834 474341755 /nfs/dbraw/zinc/34/17/55/474341755.db2.gz XTERPKAWNOEXDX-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000248543600 474351468 /nfs/dbraw/zinc/35/14/68/474351468.db2.gz DBVDDQMJXQPIEP-WOPDTQHZSA-N 1 0 349.387 2.676 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265827634 474352072 /nfs/dbraw/zinc/35/20/72/474352072.db2.gz SDSCTLOVFRKERV-MRXNPFEDSA-N 1 0 333.432 2.863 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000283256907 474352429 /nfs/dbraw/zinc/35/24/29/474352429.db2.gz VTRITXMIXYPHSH-ZDUSSCGKSA-N 1 0 345.378 2.651 20 5 EFBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183254402 474359350 /nfs/dbraw/zinc/35/93/50/474359350.db2.gz PIQLIXDFCUJLQH-SJLPKXTDSA-N 1 0 346.431 2.838 20 5 EFBDRO CC(C)(C(=O)NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265853264 474362042 /nfs/dbraw/zinc/36/20/42/474362042.db2.gz XPQSPJRLJWTGBA-UHFFFAOYSA-N 1 0 333.432 2.865 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248585848 474366985 /nfs/dbraw/zinc/36/69/85/474366985.db2.gz PWYYVGRQRBJEBX-DYEKYZERSA-N 1 0 335.379 2.533 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000248588658 474368018 /nfs/dbraw/zinc/36/80/18/474368018.db2.gz YPSNCKTVCOQUQR-SGMGOOAPSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000271016800 474369643 /nfs/dbraw/zinc/36/96/43/474369643.db2.gz YLSMBLROPUGUMR-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237340423 474384808 /nfs/dbraw/zinc/38/48/08/474384808.db2.gz WSGWTXTVBCHUPU-LBPRGKRZSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000176126992 474390621 /nfs/dbraw/zinc/39/06/21/474390621.db2.gz PNILHWGXUBTCTA-ZFWWWQNUSA-N 1 0 343.383 2.971 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000176137762 474391471 /nfs/dbraw/zinc/39/14/71/474391471.db2.gz KMOGZVPTXSYSJV-OLZOCXBDSA-N 1 0 334.420 2.746 20 5 EFBDRO COC1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000283396220 474392350 /nfs/dbraw/zinc/39/23/50/474392350.db2.gz UUQXVSRXKZMMTQ-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nncn1CC ZINC000271067933 474393439 /nfs/dbraw/zinc/39/34/39/474393439.db2.gz DKJNPZBAXBRNOC-LBPRGKRZSA-N 1 0 335.433 2.867 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000289722579 474395207 /nfs/dbraw/zinc/39/52/07/474395207.db2.gz LIYAKHBSIFLINE-UONOGXRCSA-N 1 0 331.416 2.574 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237428849 474401463 /nfs/dbraw/zinc/40/14/63/474401463.db2.gz SULKAQYQVAIJGM-ZYHUDNBSSA-N 1 0 346.412 2.670 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237432895 474403466 /nfs/dbraw/zinc/40/34/66/474403466.db2.gz REZBNCIVEWLEAQ-BBRMVZONSA-N 1 0 327.384 2.650 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237445954 474404515 /nfs/dbraw/zinc/40/45/15/474404515.db2.gz WEMVJBIVKGCXJL-NHYWBVRUSA-N 1 0 332.404 2.511 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000176193676 474405475 /nfs/dbraw/zinc/40/54/75/474405475.db2.gz HPTSCBDDALBONM-UHFFFAOYSA-N 1 0 341.371 2.812 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)s1 ZINC000176195504 474406670 /nfs/dbraw/zinc/40/66/70/474406670.db2.gz QPQKTNCEAUSWJF-UHFFFAOYSA-N 1 0 345.222 2.747 20 5 EFBDRO COC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000276066880 474407148 /nfs/dbraw/zinc/40/71/48/474407148.db2.gz RZGHYHQPCLXVCT-GXTWGEPZSA-N 1 0 331.372 2.692 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189468062 474408084 /nfs/dbraw/zinc/40/80/84/474408084.db2.gz VGOQTXLVSQYCMG-STQMWFEESA-N 1 0 346.431 2.560 20 5 EFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000176216810 474412635 /nfs/dbraw/zinc/41/26/35/474412635.db2.gz OWZIEHKRJONMEG-UHFFFAOYSA-N 1 0 333.348 2.610 20 5 EFBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289764979 474416033 /nfs/dbraw/zinc/41/60/33/474416033.db2.gz XDJRHGSJXJGQFI-JSGCOSHPSA-N 1 0 325.796 2.595 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000266114382 474419351 /nfs/dbraw/zinc/41/93/51/474419351.db2.gz UYGAENVALGQCIV-HNNXBMFYSA-N 1 0 333.413 2.618 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[NH2+]1 ZINC000237522092 474420661 /nfs/dbraw/zinc/42/06/61/474420661.db2.gz RWWCXTJORJCAIG-ZDUSSCGKSA-N 1 0 341.367 2.821 20 5 EFBDRO CCCCN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289776522 474422511 /nfs/dbraw/zinc/42/25/11/474422511.db2.gz KRZVNPZGIUFKCL-UHFFFAOYSA-N 1 0 334.203 2.989 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000266292584 474428668 /nfs/dbraw/zinc/42/86/68/474428668.db2.gz KGTRMOALSJVZIG-DCAQKATOSA-N 1 0 341.795 2.590 20 5 EFBDRO C[NH+](C)CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1 ZINC000289804480 474435545 /nfs/dbraw/zinc/43/55/45/474435545.db2.gz VDJAIWASYZDUFY-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000271204718 474438572 /nfs/dbraw/zinc/43/85/72/474438572.db2.gz RWYWJCCWGJXYIZ-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276182386 474444061 /nfs/dbraw/zinc/44/40/61/474444061.db2.gz LAWMEKGEJUFJTN-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000189627892 474451170 /nfs/dbraw/zinc/45/11/70/474451170.db2.gz AERHBYGFFYTVFR-UHFFFAOYSA-N 1 0 344.415 2.875 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000271230146 474454033 /nfs/dbraw/zinc/45/40/33/474454033.db2.gz CYONAWOCDOGREQ-SWLSCSKDSA-N 1 0 331.416 2.733 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000276234277 474462329 /nfs/dbraw/zinc/46/23/29/474462329.db2.gz LCNVADIVPALWMT-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO COc1cccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000248892747 474474590 /nfs/dbraw/zinc/47/45/90/474474590.db2.gz WPDOHACISVXPSF-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO [NH3+]CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000237793842 474477140 /nfs/dbraw/zinc/47/71/40/474477140.db2.gz YJJDAULJOKHXMA-UHFFFAOYSA-N 1 0 346.412 2.720 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1[NH+](C)C ZINC000271290401 474478170 /nfs/dbraw/zinc/47/81/70/474478170.db2.gz DYASYXPOHBEWFO-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811367 474479733 /nfs/dbraw/zinc/47/97/33/474479733.db2.gz FASKXJIAAIJAHT-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000283737148 474482656 /nfs/dbraw/zinc/48/26/56/474482656.db2.gz IPRYTHIIPZZRFQ-QWRGUYRKSA-N 1 0 331.376 2.528 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000248920013 474484042 /nfs/dbraw/zinc/48/40/42/474484042.db2.gz WMKJOHFFBRWNDZ-RDTXWAMCSA-N 1 0 339.395 2.845 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000237905545 474500792 /nfs/dbraw/zinc/50/07/92/474500792.db2.gz CWUPYLWFZIOGMV-AWEZNQCLSA-N 1 0 325.796 2.886 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)CCC3)cs2)c1 ZINC000184365180 474505274 /nfs/dbraw/zinc/50/52/74/474505274.db2.gz XDTPQCMKGYJQMM-UHFFFAOYSA-N 1 0 333.413 2.971 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289972391 474508665 /nfs/dbraw/zinc/50/86/65/474508665.db2.gz XHCMMFAUHGTOMM-WQVCFCJDSA-N 1 0 347.415 2.811 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283839492 474509658 /nfs/dbraw/zinc/50/96/58/474509658.db2.gz AWQDWESCJRVANW-WDEREUQCSA-N 1 0 346.353 2.712 20 5 EFBDRO COC[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289979335 474511290 /nfs/dbraw/zinc/51/12/90/474511290.db2.gz WQABCOVNOLJBAP-LJQANCHMSA-N 1 0 342.395 2.799 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000283859589 474512871 /nfs/dbraw/zinc/51/28/71/474512871.db2.gz HMASALSBAOOPTM-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176694212 474517927 /nfs/dbraw/zinc/51/79/27/474517927.db2.gz ISDHOFIFGRCUQO-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000276383642 474520408 /nfs/dbraw/zinc/52/04/08/474520408.db2.gz GXJOEEGBJVGYEF-CZUORRHYSA-N 1 0 332.404 2.770 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189974701 474524135 /nfs/dbraw/zinc/52/41/35/474524135.db2.gz WXWIJBOYIFERQB-MFKMUULPSA-N 1 0 330.331 2.837 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176747116 474525772 /nfs/dbraw/zinc/52/57/72/474525772.db2.gz QMWWKMDNSQPQRU-HIFRSBDPSA-N 1 0 334.420 2.700 20 5 EFBDRO Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000276403882 474528955 /nfs/dbraw/zinc/52/89/55/474528955.db2.gz ONYWTCBKWGQXLV-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276417091 474535772 /nfs/dbraw/zinc/53/57/72/474535772.db2.gz NDNKWOBAZNRZPQ-ZFWWWQNUSA-N 1 0 332.404 2.960 20 5 EFBDRO COc1cc(N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000176815585 474535754 /nfs/dbraw/zinc/53/57/54/474535754.db2.gz BKCZAQDRRBDICF-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000276447512 474547328 /nfs/dbraw/zinc/54/73/28/474547328.db2.gz UHHXQDQQEBGIHJ-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[C@@H](CO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000276461604 474553130 /nfs/dbraw/zinc/55/31/30/474553130.db2.gz ORPQHIQLTLDPDF-LBPRGKRZSA-N 1 0 346.387 2.770 20 5 EFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000184579973 474553389 /nfs/dbraw/zinc/55/33/89/474553389.db2.gz QESPCYRLVOHHBF-OAHLLOKOSA-N 1 0 347.371 2.802 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284031829 474555212 /nfs/dbraw/zinc/55/52/12/474555212.db2.gz LEJYEVRGPGWSIG-NEPJUHHUSA-N 1 0 325.359 2.932 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284081532 474567220 /nfs/dbraw/zinc/56/72/20/474567220.db2.gz RMAVHXWCLLWXFM-RYUDHWBXSA-N 1 0 336.367 2.743 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500814 474572943 /nfs/dbraw/zinc/57/29/43/474572943.db2.gz MABKIIWFLQPAFO-KKXDTOCCSA-N 1 0 333.432 2.623 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505192 474573740 /nfs/dbraw/zinc/57/37/40/474573740.db2.gz MPOAGAAXYLMTKK-RNCFNFMXSA-N 1 0 336.310 2.957 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184659582 474577298 /nfs/dbraw/zinc/57/72/98/474577298.db2.gz LLHJAUFGDAECER-HNNXBMFYSA-N 1 0 345.443 2.907 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000284150983 474584147 /nfs/dbraw/zinc/58/41/47/474584147.db2.gz WMEFFRUWRJPDBN-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000284208982 474596001 /nfs/dbraw/zinc/59/60/01/474596001.db2.gz ZDWNOVCETAGCSR-NSHDSACASA-N 1 0 326.372 2.894 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000609120989 480114027 /nfs/dbraw/zinc/11/40/27/480114027.db2.gz FFNNDHXDBMTAPF-MRXNPFEDSA-N 1 0 329.400 2.748 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249735531 474608876 /nfs/dbraw/zinc/60/88/76/474608876.db2.gz FBDWPODDJCRSMA-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000249759857 474611566 /nfs/dbraw/zinc/61/15/66/474611566.db2.gz FXTDLSFYPWTLQH-KFWWJZLASA-N 1 0 348.447 2.760 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000249771281 474614096 /nfs/dbraw/zinc/61/40/96/474614096.db2.gz JLIOPWLUYMIRDA-GVDBMIGSSA-N 1 0 342.399 2.652 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267232585 474624699 /nfs/dbraw/zinc/62/46/99/474624699.db2.gz QHBOIZIKDHBAMY-CZUORRHYSA-N 1 0 343.431 2.959 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000267305821 474643618 /nfs/dbraw/zinc/64/36/18/474643618.db2.gz RNLGUYQFKJECFF-HUUCEWRRSA-N 1 0 344.415 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCCCCC2)cc1 ZINC000272936311 474645577 /nfs/dbraw/zinc/64/55/77/474645577.db2.gz MOEKMUKBRIEYQA-UHFFFAOYSA-N 1 0 326.418 2.681 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267316592 474646682 /nfs/dbraw/zinc/64/66/82/474646682.db2.gz FTLDYPYIFLQPNG-MRXNPFEDSA-N 1 0 345.443 2.908 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2cncn2)o1 ZINC000609140472 480117681 /nfs/dbraw/zinc/11/76/81/480117681.db2.gz FFMDDIVNNNPDMO-UHFFFAOYSA-N 1 0 327.344 2.626 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278459773 474650609 /nfs/dbraw/zinc/65/06/09/474650609.db2.gz SNIYEPAXRATOKA-JTQLQIEISA-N 1 0 332.326 2.787 20 5 EFBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272957012 474650907 /nfs/dbraw/zinc/65/09/07/474650907.db2.gz NDGXUKOWYGBOPG-OLZOCXBDSA-N 1 0 349.456 2.842 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000278464976 474651053 /nfs/dbraw/zinc/65/10/53/474651053.db2.gz FYDNWNBOOIKXAE-AWEZNQCLSA-N 1 0 349.822 2.740 20 5 EFBDRO C[C@@H](c1ccccn1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267352577 474655778 /nfs/dbraw/zinc/65/57/78/474655778.db2.gz GCCRZYKRMZIBKC-AWEZNQCLSA-N 1 0 340.383 2.509 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291730276 474659732 /nfs/dbraw/zinc/65/97/32/474659732.db2.gz IGKCRKROUQGZRZ-YOEHRIQHSA-N 1 0 339.395 2.988 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(CC1)OCCCO2 ZINC000292861332 474680399 /nfs/dbraw/zinc/68/03/99/474680399.db2.gz ASLQZZOEELYNNX-UHFFFAOYSA-N 1 0 326.780 2.977 20 5 EFBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000273036894 474685640 /nfs/dbraw/zinc/68/56/40/474685640.db2.gz DCPNMRLWQKSSRE-MRXNPFEDSA-N 1 0 339.395 2.992 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278544468 474692792 /nfs/dbraw/zinc/69/27/92/474692792.db2.gz YACHZBAUDUFBHK-ZDUSSCGKSA-N 1 0 349.822 2.740 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278549515 474695393 /nfs/dbraw/zinc/69/53/93/474695393.db2.gz VSIKJNSYIPTZLN-GOEBONIOSA-N 1 0 343.431 2.956 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000344379474 474702734 /nfs/dbraw/zinc/70/27/34/474702734.db2.gz UMJGCLJJAZLJSH-GFCCVEGCSA-N 1 0 339.823 2.639 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252652769 474703609 /nfs/dbraw/zinc/70/36/09/474703609.db2.gz FEZOIFFCOQQWCB-GLJUWKHASA-N 1 0 347.415 2.549 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@](CO)(C(C)C)C1 ZINC000292902058 474704616 /nfs/dbraw/zinc/70/46/16/474704616.db2.gz ALOXSQILECWFAT-SFHVURJKSA-N 1 0 349.431 2.572 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291821074 474704647 /nfs/dbraw/zinc/70/46/47/474704647.db2.gz NXIOGMJTGFZEIH-LJQANCHMSA-N 1 0 342.395 2.739 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000338894671 474710251 /nfs/dbraw/zinc/71/02/51/474710251.db2.gz ZIYJDOAPQRBWAY-LBPRGKRZSA-N 1 0 325.384 2.638 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CCC[NH+](C)C ZINC000338895281 474711312 /nfs/dbraw/zinc/71/13/12/474711312.db2.gz OPBNQVKMBNBNLD-INIZCTEOSA-N 1 0 335.448 2.964 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000267925929 474711242 /nfs/dbraw/zinc/71/12/42/474711242.db2.gz DQOXMJUPTDYJFK-UHFFFAOYSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000344389094 474711521 /nfs/dbraw/zinc/71/15/21/474711521.db2.gz IJJYHXVDAMNVIX-HNNXBMFYSA-N 1 0 349.431 2.520 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000267939756 474716889 /nfs/dbraw/zinc/71/68/89/474716889.db2.gz HGKKIWBHCUWQSU-ZFWWWQNUSA-N 1 0 332.404 2.960 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000305275787 474724791 /nfs/dbraw/zinc/72/47/91/474724791.db2.gz AVFOQBKFVNMJOD-OAHLLOKOSA-N 1 0 334.347 2.606 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000291864444 474725114 /nfs/dbraw/zinc/72/51/14/474725114.db2.gz KNOCBPBWYQZBQJ-CHWSQXEVSA-N 1 0 339.461 2.920 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000344412106 474729691 /nfs/dbraw/zinc/72/96/91/474729691.db2.gz CVVKGNYJCKAYPD-CHWSQXEVSA-N 1 0 337.445 2.628 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000273126337 474730555 /nfs/dbraw/zinc/73/05/55/474730555.db2.gz LSPUVHMIXLJCKE-INIZCTEOSA-N 1 0 330.384 2.687 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292959678 474735361 /nfs/dbraw/zinc/73/53/61/474735361.db2.gz LHRGZLNAJZKBGB-MRXNPFEDSA-N 1 0 325.359 2.791 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284739914 474746159 /nfs/dbraw/zinc/74/61/59/474746159.db2.gz KVUPDLNZUORIBA-IRXDYDNUSA-N 1 0 347.415 2.875 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284753283 474752972 /nfs/dbraw/zinc/75/29/72/474752972.db2.gz JOYHCZMJOHNGFJ-BNEJOLLZSA-N 1 0 334.416 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@]3(CO)CCc4ccccc43)nc2c1 ZINC000305719965 474756509 /nfs/dbraw/zinc/75/65/09/474756509.db2.gz JFRXDBDHPILKDR-SFHVURJKSA-N 1 0 339.351 2.660 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000268029656 474759261 /nfs/dbraw/zinc/75/92/61/474759261.db2.gz MDGREYIHEJWLTF-AWEZNQCLSA-N 1 0 343.358 2.822 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000253613203 474772849 /nfs/dbraw/zinc/77/28/49/474772849.db2.gz NGLVMQROCRWRLB-AWEZNQCLSA-N 1 0 343.343 2.551 20 5 EFBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000305766123 474773593 /nfs/dbraw/zinc/77/35/93/474773593.db2.gz ZTPDYGXKQJOTFN-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO Cc1cccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000305781912 474780361 /nfs/dbraw/zinc/78/03/61/474780361.db2.gz UZFXLNXNRLGWGR-SJORKVTESA-N 1 0 346.431 2.838 20 5 EFBDRO Cc1cccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000305781910 474780874 /nfs/dbraw/zinc/78/08/74/474780874.db2.gz UZFXLNXNRLGWGR-IRXDYDNUSA-N 1 0 346.431 2.838 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254988598 474783301 /nfs/dbraw/zinc/78/33/01/474783301.db2.gz BFXAIHAKLBCPAY-MWWKQMNYSA-N 1 0 331.416 2.702 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000268089594 474789758 /nfs/dbraw/zinc/78/97/58/474789758.db2.gz ZWWCVYURXJQSSU-CQSZACIVSA-N 1 0 346.431 2.844 20 5 EFBDRO Cc1nn(C)c(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268102774 474798765 /nfs/dbraw/zinc/79/87/65/474798765.db2.gz APAWNEUBJZHCKF-WFASDCNBSA-N 1 0 329.404 2.712 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000340942988 474802549 /nfs/dbraw/zinc/80/25/49/474802549.db2.gz XMVWTPIKNLTWFJ-LSDHHAIUSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268129940 474814321 /nfs/dbraw/zinc/81/43/21/474814321.db2.gz PGIAYDKXCLOTKJ-YMTOWFKASA-N 1 0 338.795 2.852 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000278759621 474819372 /nfs/dbraw/zinc/81/93/72/474819372.db2.gz KBUYDFVKLVCJBI-UHFFFAOYSA-N 1 0 343.387 2.567 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000310072163 474822891 /nfs/dbraw/zinc/82/28/91/474822891.db2.gz NKDDOBHUGDIQIE-QGZVFWFLSA-N 1 0 330.384 2.571 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292062283 474826486 /nfs/dbraw/zinc/82/64/86/474826486.db2.gz WSMXMDWRWJRSDO-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255318245 474833656 /nfs/dbraw/zinc/83/36/56/474833656.db2.gz MSQCVSNMKSLRIV-GGVYXGFKSA-N 1 0 329.400 2.551 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000345037189 474835956 /nfs/dbraw/zinc/83/59/56/474835956.db2.gz PSRODTUZPMJLSS-OAHLLOKOSA-N 1 0 337.807 2.739 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255326377 474836521 /nfs/dbraw/zinc/83/65/21/474836521.db2.gz BJYPXMYNFWMIMS-LZNQSLFOSA-N 1 0 331.416 2.702 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cc1ccc(F)cc1)CC2 ZINC000339015144 474836731 /nfs/dbraw/zinc/83/67/31/474836731.db2.gz SYLDLPGTEQDUIL-GOSISDBHSA-N 1 0 330.359 2.696 20 5 EFBDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293144459 474838188 /nfs/dbraw/zinc/83/81/88/474838188.db2.gz NRLJIHLWTXCPPY-CJNGLKHVSA-N 1 0 335.404 2.669 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000255380002 474845947 /nfs/dbraw/zinc/84/59/47/474845947.db2.gz CVTMWMSSTOLBAF-HQQUCIOCSA-N 1 0 348.399 2.652 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279004 474853162 /nfs/dbraw/zinc/85/31/62/474853162.db2.gz GJIPMMLVMRNHRV-QWHCGFSZSA-N 1 0 344.314 2.711 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293175854 474853735 /nfs/dbraw/zinc/85/37/35/474853735.db2.gz VKXFPNRTUCWUHQ-NSHDSACASA-N 1 0 346.353 2.580 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992706 474855323 /nfs/dbraw/zinc/85/53/23/474855323.db2.gz JBBNVMNTJZCUIS-UKRRQHHQSA-N 1 0 336.388 2.755 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000273381941 474869784 /nfs/dbraw/zinc/86/97/84/474869784.db2.gz IMSHGFQDQNYXQT-ABAIWWIYSA-N 1 0 336.367 2.682 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000293213922 474871700 /nfs/dbraw/zinc/87/17/00/474871700.db2.gz XRJKEOYZZPMXDJ-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000273391633 474877156 /nfs/dbraw/zinc/87/71/56/474877156.db2.gz DOHAOQYKHLAGJG-CQSZACIVSA-N 1 0 348.447 2.509 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268241762 474882655 /nfs/dbraw/zinc/88/26/55/474882655.db2.gz VELVVWIBTZHOCX-WQGACYEGSA-N 1 0 349.456 2.674 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268250593 474886900 /nfs/dbraw/zinc/88/69/00/474886900.db2.gz ZGKAHNLIKMAFGT-OAHLLOKOSA-N 1 0 347.415 2.836 20 5 EFBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000337313504 474887079 /nfs/dbraw/zinc/88/70/79/474887079.db2.gz HABRUSFVSQLEGI-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000285097219 474890808 /nfs/dbraw/zinc/89/08/08/474890808.db2.gz LPORTGAWJANOLL-JTQLQIEISA-N 1 0 339.193 2.905 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000278882832 474891038 /nfs/dbraw/zinc/89/10/38/474891038.db2.gz WMVORCADVIMQMY-GFCCVEGCSA-N 1 0 339.823 2.938 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337318462 474891227 /nfs/dbraw/zinc/89/12/27/474891227.db2.gz MSDIXELDXKEPRB-MRXNPFEDSA-N 1 0 347.415 2.814 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273438405 474896464 /nfs/dbraw/zinc/89/64/64/474896464.db2.gz AQWMRMSHENZOON-GJZGRUSLSA-N 1 0 349.456 2.555 20 5 EFBDRO CC1(C)CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273471175 474916503 /nfs/dbraw/zinc/91/65/03/474916503.db2.gz RYQWEYZAOHHJOY-GFCCVEGCSA-N 1 0 326.418 2.537 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000255901180 474917112 /nfs/dbraw/zinc/91/71/12/474917112.db2.gz AWSKYMLFKSGNOK-CCGPLILUSA-N 1 0 331.416 2.797 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273475197 474919012 /nfs/dbraw/zinc/91/90/12/474919012.db2.gz HQVXVVMCWWBZGH-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000273475789 474919105 /nfs/dbraw/zinc/91/91/05/474919105.db2.gz PMXDNRPRQVXCIA-GFCCVEGCSA-N 1 0 336.367 2.684 20 5 EFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273484194 474923302 /nfs/dbraw/zinc/92/33/02/474923302.db2.gz VDNZAYJWHAPYEQ-WFASDCNBSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000273489307 474925821 /nfs/dbraw/zinc/92/58/21/474925821.db2.gz SBZOZUZJHROFKL-LBPRGKRZSA-N 1 0 338.383 2.977 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273498001 474930195 /nfs/dbraw/zinc/93/01/95/474930195.db2.gz UMZMUQVVYYTFJV-LBPRGKRZSA-N 1 0 338.383 2.976 20 5 EFBDRO COc1cc(C[NH2+]CCOC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000273497490 474931257 /nfs/dbraw/zinc/93/12/57/474931257.db2.gz ORCJNCILQDLANL-UHFFFAOYSA-N 1 0 348.346 2.762 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000268361397 474940824 /nfs/dbraw/zinc/94/08/24/474940824.db2.gz KHEPCVXWLWNNRZ-ZDUSSCGKSA-N 1 0 344.415 2.784 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273523792 474943788 /nfs/dbraw/zinc/94/37/88/474943788.db2.gz PYNCDRNHTKDHSQ-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO Cc1ccc(NCc2ccncc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000341077877 474949224 /nfs/dbraw/zinc/94/92/24/474949224.db2.gz YZFLYQIRRGMWHS-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279161350 474962866 /nfs/dbraw/zinc/96/28/66/474962866.db2.gz BKDXIBZXJWUYPL-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325081 474962966 /nfs/dbraw/zinc/96/29/66/474962966.db2.gz FSRMBSBDSSYSAU-QWHCGFSZSA-N 1 0 337.445 2.997 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325084 474963066 /nfs/dbraw/zinc/96/30/66/474963066.db2.gz FSRMBSBDSSYSAU-STQMWFEESA-N 1 0 337.445 2.997 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341109543 474984791 /nfs/dbraw/zinc/98/47/91/474984791.db2.gz JIOOUBMVQCOEFW-UONOGXRCSA-N 1 0 346.431 2.972 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000341111188 474985491 /nfs/dbraw/zinc/98/54/91/474985491.db2.gz DLAXGUSAQYRFOZ-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373086 474988666 /nfs/dbraw/zinc/98/86/66/474988666.db2.gz JAHZLCBKTXRHOS-CHWSQXEVSA-N 1 0 337.445 2.997 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000261606324 474991897 /nfs/dbraw/zinc/99/18/97/474991897.db2.gz CUASBQARVRJNDL-MRXNPFEDSA-N 1 0 325.368 2.520 20 5 EFBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000337414668 474992133 /nfs/dbraw/zinc/99/21/33/474992133.db2.gz OXHJPPIFFMXPKG-AAEUAGOBSA-N 1 0 343.330 2.673 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293472943 474997280 /nfs/dbraw/zinc/99/72/80/474997280.db2.gz MKMWWWCLGNIRQB-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2N1 ZINC000326024287 474999271 /nfs/dbraw/zinc/99/92/71/474999271.db2.gz QQEUUWFCELAYIH-OLZOCXBDSA-N 1 0 330.388 2.518 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261626540 475001795 /nfs/dbraw/zinc/00/17/95/475001795.db2.gz AJLHWEHDYDDEOR-UHFFFAOYSA-N 1 0 343.358 2.951 20 5 EFBDRO Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000268474613 475001788 /nfs/dbraw/zinc/00/17/88/475001788.db2.gz KFAMEDGOIOSPSJ-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc1 ZINC000273675019 475007873 /nfs/dbraw/zinc/00/78/73/475007873.db2.gz YFVBEJGBQVVQPN-UHFFFAOYSA-N 1 0 341.415 2.530 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285405025 475009118 /nfs/dbraw/zinc/00/91/18/475009118.db2.gz XLMMBBBJIHHDAX-ZDUSSCGKSA-N 1 0 342.399 2.566 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261653002 475010950 /nfs/dbraw/zinc/01/09/50/475010950.db2.gz FKEHZZDSGNMRIW-CQSZACIVSA-N 1 0 337.807 2.852 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000326802779 475012789 /nfs/dbraw/zinc/01/27/89/475012789.db2.gz BQRMAZQJBKHHRP-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000292416877 475013986 /nfs/dbraw/zinc/01/39/86/475013986.db2.gz ZYVBEJGHFSLYQW-KRWDZBQOSA-N 1 0 329.356 2.509 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268498355 475014567 /nfs/dbraw/zinc/01/45/67/475014567.db2.gz RGZVWLFDKAHJFN-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000327750954 475023825 /nfs/dbraw/zinc/02/38/25/475023825.db2.gz ZWXMXMGANHJYNE-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO COc1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000327890433 475025078 /nfs/dbraw/zinc/02/50/78/475025078.db2.gz FIDQEQMVCVIPTA-OAHLLOKOSA-N 1 0 343.383 2.813 20 5 EFBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000328513552 475030441 /nfs/dbraw/zinc/03/04/41/475030441.db2.gz ORGUEAJHAFKQJF-LLVKDONJSA-N 1 0 333.310 2.746 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261699678 475031237 /nfs/dbraw/zinc/03/12/37/475031237.db2.gz HZUUXFDBQPIVMB-BDAKNGLRSA-N 1 0 340.767 2.922 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000268850821 475045125 /nfs/dbraw/zinc/04/51/25/475045125.db2.gz XXNACVZPOWPMKV-SNVBAGLBSA-N 1 0 341.795 2.565 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292486773 475051379 /nfs/dbraw/zinc/05/13/79/475051379.db2.gz FAGWTNNJPBIEMJ-GOSISDBHSA-N 1 0 349.406 2.566 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000292506069 475061866 /nfs/dbraw/zinc/06/18/66/475061866.db2.gz XSQJOZIVMNHXSB-ZDUSSCGKSA-N 1 0 331.416 2.850 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000345292771 475066039 /nfs/dbraw/zinc/06/60/39/475066039.db2.gz ILSCGZYVMGORNX-INIZCTEOSA-N 1 0 344.415 2.746 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292528766 475071958 /nfs/dbraw/zinc/07/19/58/475071958.db2.gz ZIKZDPHBFWINNX-ZDUSSCGKSA-N 1 0 331.416 2.850 20 5 EFBDRO CCOc1cccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000273837466 475075767 /nfs/dbraw/zinc/07/57/67/475075767.db2.gz GXTYPHLUAGUKFN-AWEZNQCLSA-N 1 0 349.431 2.906 20 5 EFBDRO C[S@@](=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000281131760 475084052 /nfs/dbraw/zinc/08/40/52/475084052.db2.gz TWNZPSTVXDGTHL-NPMXOYFQSA-N 1 0 336.457 2.807 20 5 EFBDRO COc1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)cc1SC ZINC000261884295 475099907 /nfs/dbraw/zinc/09/99/07/475099907.db2.gz WSLJRRBRLNAHCA-UHFFFAOYSA-N 1 0 336.373 2.713 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000261900131 475107712 /nfs/dbraw/zinc/10/77/12/475107712.db2.gz WDWCTDOFWHPUHO-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO Cc1c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1C ZINC000268996765 475119012 /nfs/dbraw/zinc/11/90/12/475119012.db2.gz IJOBIQNWDSWLOQ-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000281217785 475120456 /nfs/dbraw/zinc/12/04/56/475120456.db2.gz UTKGZVBYGNVFRN-GOSISDBHSA-N 1 0 343.383 2.813 20 5 EFBDRO C[C@]1(C[NH3+])CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261941667 475121483 /nfs/dbraw/zinc/12/14/83/475121483.db2.gz JKSGAQSGTGECJA-MRXNPFEDSA-N 1 0 346.412 2.529 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281221183 475122584 /nfs/dbraw/zinc/12/25/84/475122584.db2.gz RFJCNJPAKZNPOT-GFCCVEGCSA-N 1 0 331.376 2.530 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000269018227 475129510 /nfs/dbraw/zinc/12/95/10/475129510.db2.gz OULNWGLMVYVVEJ-WMLDXEAASA-N 1 0 345.443 2.815 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273952087 475134291 /nfs/dbraw/zinc/13/42/91/475134291.db2.gz MVARFDPTWOYGDP-UHFFFAOYSA-N 1 0 339.411 2.716 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000287415619 475137469 /nfs/dbraw/zinc/13/74/69/475137469.db2.gz DIDBMCMUECBHGY-TZMCWYRMSA-N 1 0 348.403 2.694 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000269030943 475137695 /nfs/dbraw/zinc/13/76/95/475137695.db2.gz SDMNKKSSEXPJNE-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273964787 475139243 /nfs/dbraw/zinc/13/92/43/475139243.db2.gz PYDPGSGJNYLCGX-UHFFFAOYSA-N 1 0 337.395 2.566 20 5 EFBDRO CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273964707 475140177 /nfs/dbraw/zinc/14/01/77/475140177.db2.gz PQEYEIJNSZWLNZ-UHFFFAOYSA-N 1 0 349.406 2.566 20 5 EFBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000273981883 475147702 /nfs/dbraw/zinc/14/77/02/475147702.db2.gz QPQZRLOJONORCI-UHFFFAOYSA-N 1 0 329.404 2.733 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[C@@H]21 ZINC000269056389 475152004 /nfs/dbraw/zinc/15/20/04/475152004.db2.gz SHURTDVXAPTXGO-PXAZEXFGSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1c(CC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000295986399 475155695 /nfs/dbraw/zinc/15/56/95/475155695.db2.gz UJNITMURHXEIOP-INIZCTEOSA-N 1 0 342.399 2.789 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000339352783 475155676 /nfs/dbraw/zinc/15/56/76/475155676.db2.gz CZMGTFSRSSTCMQ-NSHDSACASA-N 1 0 331.376 2.674 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000273996776 475156222 /nfs/dbraw/zinc/15/62/22/475156222.db2.gz YWXZZXHVCRFEES-NSHDSACASA-N 1 0 337.395 2.610 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000339352782 475156388 /nfs/dbraw/zinc/15/63/88/475156388.db2.gz CZMGTFSRSSTCMQ-LLVKDONJSA-N 1 0 331.376 2.674 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@H]1c1cccc(F)c1 ZINC000262062935 475162302 /nfs/dbraw/zinc/16/23/02/475162302.db2.gz WCAKJQGRXOQNHC-ZDUSSCGKSA-N 1 0 335.360 2.582 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287475786 475164602 /nfs/dbraw/zinc/16/46/02/475164602.db2.gz SACPFIHWLZVILE-GFCCVEGCSA-N 1 0 337.807 2.693 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000341588073 475169359 /nfs/dbraw/zinc/16/93/59/475169359.db2.gz PVVKLIRKBKFQEA-GJZGRUSLSA-N 1 0 341.411 2.993 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292731498 475173849 /nfs/dbraw/zinc/17/38/49/475173849.db2.gz GHYBHQYPJUNRFK-INIZCTEOSA-N 1 0 341.358 2.724 20 5 EFBDRO CO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296043878 475177284 /nfs/dbraw/zinc/17/72/84/475177284.db2.gz OFNSWJLUACBUNJ-WFASDCNBSA-N 1 0 335.404 2.669 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000296052104 475180347 /nfs/dbraw/zinc/18/03/47/475180347.db2.gz FTSVUXPECKHHED-HOTGVXAUSA-N 1 0 347.415 2.779 20 5 EFBDRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1OC ZINC000339384283 475181267 /nfs/dbraw/zinc/18/12/67/475181267.db2.gz GLBSKFWPZSGFKX-JTQLQIEISA-N 1 0 336.348 2.708 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000296090740 475192979 /nfs/dbraw/zinc/19/29/79/475192979.db2.gz PQKZSRSHDWVZOC-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO COc1cc(C[N@H+]([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000287561464 475196379 /nfs/dbraw/zinc/19/63/79/475196379.db2.gz BFCGUKNLYBDCLY-NSHDSACASA-N 1 0 326.368 2.868 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262280083 475213535 /nfs/dbraw/zinc/21/35/35/475213535.db2.gz UKDKDBQODXCIAB-CJNGLKHVSA-N 1 0 343.358 2.548 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296175397 475215479 /nfs/dbraw/zinc/21/54/79/475215479.db2.gz VBQQAWJROOJYOM-KNXALSJPSA-N 1 0 335.404 2.573 20 5 EFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000262305968 475217266 /nfs/dbraw/zinc/21/72/66/475217266.db2.gz OLILCIPBBZXDDN-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347321308 475227908 /nfs/dbraw/zinc/22/79/08/475227908.db2.gz XQQFNHVNYUBGNP-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609382861 480154460 /nfs/dbraw/zinc/15/44/60/480154460.db2.gz FWSHGWDSMMFPCH-CYBMUJFWSA-N 1 0 329.356 2.555 20 5 EFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347337204 475243080 /nfs/dbraw/zinc/24/30/80/475243080.db2.gz MDJYUNBTHURPOP-DZXKJOIRSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000296264632 475245051 /nfs/dbraw/zinc/24/50/51/475245051.db2.gz XZCDEVHBCSMGBO-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000296264627 475245095 /nfs/dbraw/zinc/24/50/95/475245095.db2.gz XZCDEVHBCSMGBO-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000341715492 475245476 /nfs/dbraw/zinc/24/54/76/475245476.db2.gz NBGJZNMRGPFBFT-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO Cc1nc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296272806 475247117 /nfs/dbraw/zinc/24/71/17/475247117.db2.gz GXHXIPIKXYLDHP-UHFFFAOYSA-N 1 0 341.415 2.812 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262467596 475247348 /nfs/dbraw/zinc/24/73/48/475247348.db2.gz XYDQRBXDTQHZRG-SFHVURJKSA-N 1 0 339.395 2.531 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000361178660 475248346 /nfs/dbraw/zinc/24/83/46/475248346.db2.gz QYPOGEVGNUOYAK-INIZCTEOSA-N 1 0 345.374 2.603 20 5 EFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000357904922 475249331 /nfs/dbraw/zinc/24/93/31/475249331.db2.gz BNQVIFRCBQOIQY-HUUCEWRRSA-N 1 0 336.436 2.851 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296286472 475253263 /nfs/dbraw/zinc/25/32/63/475253263.db2.gz IOCKUKZLNSHKRF-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347795 475253792 /nfs/dbraw/zinc/25/37/92/475253792.db2.gz YNYDMBNISSCADZ-YOEHRIQHSA-N 1 0 344.371 2.879 20 5 EFBDRO COc1cc(C[NH+]2CCC(Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000352400206 475257886 /nfs/dbraw/zinc/25/78/86/475257886.db2.gz PXQTZKJJZDMCGZ-UHFFFAOYSA-N 1 0 344.415 2.792 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347354933 475259320 /nfs/dbraw/zinc/25/93/20/475259320.db2.gz GXKCFNREYLHSCM-AWEZNQCLSA-N 1 0 337.807 2.995 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262558725 475259865 /nfs/dbraw/zinc/25/98/65/475259865.db2.gz UTEJJGINNBBMCD-GFCCVEGCSA-N 1 0 325.796 2.756 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000345553429 475261813 /nfs/dbraw/zinc/26/18/13/475261813.db2.gz YZEOZFABMJYHMJ-GFCCVEGCSA-N 1 0 337.420 2.762 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000296314849 475264343 /nfs/dbraw/zinc/26/43/43/475264343.db2.gz KEZQGCKRDTYKCT-APHBMKBZSA-N 1 0 332.404 2.582 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1nnc2n1CCC2 ZINC000347382360 475283863 /nfs/dbraw/zinc/28/38/63/475283863.db2.gz VFDKKSQGTJAYFF-KIWPFMIBSA-N 1 0 327.388 2.887 20 5 EFBDRO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296369254 475286073 /nfs/dbraw/zinc/28/60/73/475286073.db2.gz SNIBFFNKGAWAHT-WFASDCNBSA-N 1 0 331.372 2.638 20 5 EFBDRO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296369250 475286607 /nfs/dbraw/zinc/28/66/07/475286607.db2.gz SNIBFFNKGAWAHT-SWLSCSKDSA-N 1 0 331.372 2.638 20 5 EFBDRO COCC[N@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000354608464 475286958 /nfs/dbraw/zinc/28/69/58/475286958.db2.gz RWTLAPXNEMLGRJ-INIZCTEOSA-N 1 0 345.403 2.506 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000357970647 475301198 /nfs/dbraw/zinc/30/11/98/475301198.db2.gz GGOCKZCQRKFNTF-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347409131 475304676 /nfs/dbraw/zinc/30/46/76/475304676.db2.gz MVVAYQPVCCDRIX-ZDUSSCGKSA-N 1 0 329.404 2.636 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000357976556 475305212 /nfs/dbraw/zinc/30/52/12/475305212.db2.gz QOJTURXZZMDWET-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000354681854 475335387 /nfs/dbraw/zinc/33/53/87/475335387.db2.gz JWRNWQUGKVVCAP-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCN(Cc3ccccn3)CC2)c1 ZINC000296491370 475339677 /nfs/dbraw/zinc/33/96/77/475339677.db2.gz LAWGERBNVYFXGP-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296551694 475367730 /nfs/dbraw/zinc/36/77/30/475367730.db2.gz BXSSKSDNIQAPGU-QGZVFWFLSA-N 1 0 335.404 2.590 20 5 EFBDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296562142 475372105 /nfs/dbraw/zinc/37/21/05/475372105.db2.gz CPDVHMKLYNEZOF-DYVFJYSZSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c([N+](=O)[O-])c1 ZINC000345708134 475383827 /nfs/dbraw/zinc/38/38/27/475383827.db2.gz IPFGWSWCFXZXQH-KSSFIOAISA-N 1 0 348.447 2.729 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331720938 475390514 /nfs/dbraw/zinc/39/05/14/475390514.db2.gz KIVTWWYQYBBAIF-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000331719664 475390631 /nfs/dbraw/zinc/39/06/31/475390631.db2.gz JSYSSJFFYYXULM-AWEZNQCLSA-N 1 0 335.379 2.568 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000339669633 475393386 /nfs/dbraw/zinc/39/33/86/475393386.db2.gz XJDKPZDOJIZOOG-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO Cn1cc(C[NH2+]CCCOC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000337875040 475398675 /nfs/dbraw/zinc/39/86/75/475398675.db2.gz UGCZUVROZLPIER-UHFFFAOYSA-N 1 0 340.330 2.714 20 5 EFBDRO CC1(C)C[C@@H](N[C@H](C(N)=O)c2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000296631496 475404600 /nfs/dbraw/zinc/40/46/00/475404600.db2.gz BJYMSZAUOGWISG-CVEARBPZSA-N 1 0 340.383 2.528 20 5 EFBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339685749 475409163 /nfs/dbraw/zinc/40/91/63/475409163.db2.gz GWXJXIXCCFTLMR-AWEZNQCLSA-N 1 0 341.415 2.748 20 5 EFBDRO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000361396069 475413088 /nfs/dbraw/zinc/41/30/88/475413088.db2.gz CZSCDZRORFTAQU-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000296662047 475417947 /nfs/dbraw/zinc/41/79/47/475417947.db2.gz GOKKFZZWMYUJFO-LLVKDONJSA-N 1 0 336.367 2.814 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345756433 475424202 /nfs/dbraw/zinc/42/42/02/475424202.db2.gz SLEWFQXVEVGIIG-DOMZBBRYSA-N 1 0 334.420 2.612 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000296685694 475428538 /nfs/dbraw/zinc/42/85/38/475428538.db2.gz JACPPDDIISDMGW-ABAIWWIYSA-N 1 0 336.367 2.600 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152873 475444463 /nfs/dbraw/zinc/44/44/63/475444463.db2.gz LEDVLEPNJRPEBS-TZMCWYRMSA-N 1 0 335.404 2.653 20 5 EFBDRO CCC(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000348179243 475460107 /nfs/dbraw/zinc/46/01/07/475460107.db2.gz NADWJDINRFBMDZ-INIZCTEOSA-N 1 0 336.436 2.847 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000296748326 475460411 /nfs/dbraw/zinc/46/04/11/475460411.db2.gz AZZCBNSCANPLIW-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO COC(=O)c1cccc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352620488 475464659 /nfs/dbraw/zinc/46/46/59/475464659.db2.gz DTMPYXPGDJYLBU-UHFFFAOYSA-N 1 0 342.351 2.776 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000348181790 475465424 /nfs/dbraw/zinc/46/54/24/475465424.db2.gz PHADFWYBESUHQR-INIZCTEOSA-N 1 0 329.400 2.966 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000341981978 475475179 /nfs/dbraw/zinc/47/51/79/475475179.db2.gz CLYYWUUDDNJGBL-IBGZPJMESA-N 1 0 325.412 2.954 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000345824525 475484514 /nfs/dbraw/zinc/48/45/14/475484514.db2.gz WZUBHVANKLAKAK-CVEARBPZSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000296823687 475492210 /nfs/dbraw/zinc/49/22/10/475492210.db2.gz VVJAUFFSOAJSPF-NSHDSACASA-N 1 0 325.359 2.789 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000296827953 475495506 /nfs/dbraw/zinc/49/55/06/475495506.db2.gz WFKQLVHXWNASFL-AWEZNQCLSA-N 1 0 339.395 2.830 20 5 EFBDRO COC[C@]1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000296863958 475512302 /nfs/dbraw/zinc/51/23/02/475512302.db2.gz UIJGZYYVDWQNAE-MRXNPFEDSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000361520589 475514795 /nfs/dbraw/zinc/51/47/95/475514795.db2.gz UVKKSMFSDWUEAL-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354920102 475521421 /nfs/dbraw/zinc/52/14/21/475521421.db2.gz NCWPMVUNBOFKFY-CYBMUJFWSA-N 1 0 341.371 2.667 20 5 EFBDRO CC[N@H+](CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338039955 475534677 /nfs/dbraw/zinc/53/46/77/475534677.db2.gz HZMOJRHCOPLLEX-UHFFFAOYSA-N 1 0 336.436 2.509 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000361557802 475546315 /nfs/dbraw/zinc/54/63/15/475546315.db2.gz SQQUNPUKTWBGIB-QGZVFWFLSA-N 1 0 334.416 2.847 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000332184043 475547308 /nfs/dbraw/zinc/54/73/08/475547308.db2.gz ATXJKJVFTFAMPI-GDBMZVCRSA-N 1 0 331.416 2.768 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC000361560637 475548558 /nfs/dbraw/zinc/54/85/58/475548558.db2.gz AMDBGPIKDOIUMJ-INIZCTEOSA-N 1 0 334.416 2.847 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361581637 475566802 /nfs/dbraw/zinc/56/68/02/475566802.db2.gz HHESAPTUJUFRJO-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO CCOc1cccc(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000358294483 475568037 /nfs/dbraw/zinc/56/80/37/475568037.db2.gz YKUDHXXOFRJFTD-OAHLLOKOSA-N 1 0 325.434 2.843 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000339861721 475568539 /nfs/dbraw/zinc/56/85/39/475568539.db2.gz OYBLLIKLFXOKDP-AEGPPILISA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358304293 475574038 /nfs/dbraw/zinc/57/40/38/475574038.db2.gz SPFTWXQADKCIMS-DOPJRALCSA-N 1 0 333.432 2.623 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358304295 475574658 /nfs/dbraw/zinc/57/46/58/475574658.db2.gz SPFTWXQADKCIMS-KKXDTOCCSA-N 1 0 333.432 2.623 20 5 EFBDRO Cc1c(CNC(=O)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358306175 475575853 /nfs/dbraw/zinc/57/58/53/475575853.db2.gz IWPCUCLKHBFVDX-UHFFFAOYSA-N 1 0 334.420 2.578 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332266283 475581146 /nfs/dbraw/zinc/58/11/46/475581146.db2.gz BXZASDWOVOLYHM-HNNXBMFYSA-N 1 0 347.415 2.590 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358311911 475581642 /nfs/dbraw/zinc/58/16/42/475581642.db2.gz LLLJYKPIKKGJLN-HNNXBMFYSA-N 1 0 334.420 2.611 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CCSC)cc1[N+](=O)[O-] ZINC000358315904 475585343 /nfs/dbraw/zinc/58/53/43/475585343.db2.gz HRLKMCXILWDAEH-WCQYABFASA-N 1 0 328.434 2.758 20 5 EFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000355006535 475591971 /nfs/dbraw/zinc/59/19/71/475591971.db2.gz OPRKSWXDPMLVMI-UHFFFAOYSA-N 1 0 328.796 2.612 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000355018527 475601682 /nfs/dbraw/zinc/60/16/82/475601682.db2.gz XPCIYFBXTOKZRB-HNNXBMFYSA-N 1 0 349.431 2.763 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000339904884 475604385 /nfs/dbraw/zinc/60/43/85/475604385.db2.gz YPYMELHBXMSKLX-UHFFFAOYSA-N 1 0 338.367 2.995 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332345600 475608999 /nfs/dbraw/zinc/60/89/99/475608999.db2.gz YEUIXQBCKHEFGX-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000332391081 475622812 /nfs/dbraw/zinc/62/28/12/475622812.db2.gz VSBNDZUGFBDNGA-PBHICJAKSA-N 1 0 345.443 2.815 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000332391082 475623109 /nfs/dbraw/zinc/62/31/09/475623109.db2.gz VSBNDZUGFBDNGA-RHSMWYFYSA-N 1 0 345.443 2.815 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000332391566 475623377 /nfs/dbraw/zinc/62/33/77/475623377.db2.gz VSBNDZUGFBDNGA-WMLDXEAASA-N 1 0 345.443 2.815 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332394367 475624178 /nfs/dbraw/zinc/62/41/78/475624178.db2.gz NXYBBPDGRJWFTA-KRWDZBQOSA-N 1 0 346.475 2.980 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332398325 475624859 /nfs/dbraw/zinc/62/48/59/475624859.db2.gz QRTJQZQGXAGOQZ-RYRKJORJSA-N 1 0 346.475 2.614 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332394238 475625111 /nfs/dbraw/zinc/62/51/11/475625111.db2.gz NWMSVDZROBHDJZ-GPMSIDNRSA-N 1 0 346.475 2.614 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376054 475629865 /nfs/dbraw/zinc/62/98/65/475629865.db2.gz RKWORHSHJZGLHG-KOLCDFICSA-N 1 0 336.310 2.957 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342705272 475630181 /nfs/dbraw/zinc/63/01/81/475630181.db2.gz FPEXDJNMASPCJD-DDTOSNHZSA-N 1 0 329.356 2.540 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442664 475639807 /nfs/dbraw/zinc/63/98/07/475639807.db2.gz CLKALFSKHBJBLG-ZIAGYGMSSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352803191 475640390 /nfs/dbraw/zinc/64/03/90/475640390.db2.gz XXMXRRRQTVLQGD-KCJUWKMLSA-N 1 0 329.809 2.528 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])CC(C)C ZINC000339970775 475650653 /nfs/dbraw/zinc/65/06/53/475650653.db2.gz RFHPLODDGRKIJS-CYBMUJFWSA-N 1 0 336.436 2.862 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332489681 475650963 /nfs/dbraw/zinc/65/09/63/475650963.db2.gz ACLHBTXOJCVKOZ-ROUUACIJSA-N 1 0 333.432 2.623 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[C@H]21 ZINC000342895447 475652971 /nfs/dbraw/zinc/65/29/71/475652971.db2.gz CPBMPBGWFWMXRH-SWLSCSKDSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000358404007 475653133 /nfs/dbraw/zinc/65/31/33/475653133.db2.gz BRSPTTXIMGGBOS-QGZVFWFLSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332505956 475655288 /nfs/dbraw/zinc/65/52/88/475655288.db2.gz IEAZKWMTGUDLGV-GJZGRUSLSA-N 1 0 331.416 2.910 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332505959 475655637 /nfs/dbraw/zinc/65/56/37/475655637.db2.gz IEAZKWMTGUDLGV-HUUCEWRRSA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC000346561931 475658172 /nfs/dbraw/zinc/65/81/72/475658172.db2.gz CJXAHUPJAGIIRE-KGLIPLIRSA-N 1 0 342.399 2.658 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522382 475658953 /nfs/dbraw/zinc/65/89/53/475658953.db2.gz ZSWTUPUGADYXRC-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332538227 475662540 /nfs/dbraw/zinc/66/25/40/475662540.db2.gz ZIBUQOODPBUEFX-GDBMZVCRSA-N 1 0 331.416 2.768 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000332550918 475665667 /nfs/dbraw/zinc/66/56/67/475665667.db2.gz JSAVJXRFVJWHQQ-HOTGVXAUSA-N 1 0 346.431 2.671 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358425447 475668437 /nfs/dbraw/zinc/66/84/37/475668437.db2.gz RKLVFLYVGDQJHH-CQSZACIVSA-N 1 0 348.447 2.783 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358425445 475668905 /nfs/dbraw/zinc/66/89/05/475668905.db2.gz RKLVFLYVGDQJHH-AWEZNQCLSA-N 1 0 348.447 2.783 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332577177 475673866 /nfs/dbraw/zinc/67/38/66/475673866.db2.gz GKLSCFCFYHOIFJ-ZIAGYGMSSA-N 1 0 349.456 2.772 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348474380 475687705 /nfs/dbraw/zinc/68/77/05/475687705.db2.gz BHFKFXJVBVVTPW-VNQPRFMTSA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631100 475695022 /nfs/dbraw/zinc/69/50/22/475695022.db2.gz UWATUAMXEHCHDD-KCQAQPDRSA-N 1 0 349.406 2.923 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000332639783 475698336 /nfs/dbraw/zinc/69/83/36/475698336.db2.gz RKNTYFIVRIXDCM-ZIAGYGMSSA-N 1 0 336.367 2.824 20 5 EFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000361731166 475703094 /nfs/dbraw/zinc/70/30/94/475703094.db2.gz WBXUTVGDFLZBBJ-QGZVFWFLSA-N 1 0 336.388 2.530 20 5 EFBDRO Cc1ccc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000355154422 475703874 /nfs/dbraw/zinc/70/38/74/475703874.db2.gz KQUCPVCZLCQLSO-UHFFFAOYSA-N 1 0 329.404 2.764 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000332655467 475704279 /nfs/dbraw/zinc/70/42/79/475704279.db2.gz VKLSFEZZDSUGEK-CABCVRRESA-N 1 0 346.431 2.725 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000332655474 475704456 /nfs/dbraw/zinc/70/44/56/475704456.db2.gz VKLSFEZZDSUGEK-LSDHHAIUSA-N 1 0 346.431 2.725 20 5 EFBDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000353147950 475720735 /nfs/dbraw/zinc/72/07/35/475720735.db2.gz FSJKVDAJVFIHBI-FNORWQNLSA-N 1 0 329.356 2.810 20 5 EFBDRO CNC(=O)C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000297356393 475721513 /nfs/dbraw/zinc/72/15/13/475721513.db2.gz HCXNTFLSGPXAGW-UHFFFAOYSA-N 1 0 349.774 2.686 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348521499 475721948 /nfs/dbraw/zinc/72/19/48/475721948.db2.gz QIIXKFLQXCINPG-NDMJEZRESA-N 1 0 343.330 2.672 20 5 EFBDRO C[NH+]1CCN(CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000338276148 475736129 /nfs/dbraw/zinc/73/61/29/475736129.db2.gz AKXYHQMQFSVIQA-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297420155 475750173 /nfs/dbraw/zinc/75/01/73/475750173.db2.gz OAOKYVTVLITJIY-KRWDZBQOSA-N 1 0 332.404 2.717 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353186753 475752868 /nfs/dbraw/zinc/75/28/68/475752868.db2.gz WFUVVWNROPSPOV-NSHDSACASA-N 1 0 339.355 2.760 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340095847 475756588 /nfs/dbraw/zinc/75/65/88/475756588.db2.gz TYACZWGSRMVEPM-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO NC(=O)CC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000297439303 475758844 /nfs/dbraw/zinc/75/88/44/475758844.db2.gz PITDXVMYUTYFPY-UHFFFAOYSA-N 1 0 331.397 2.631 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c(F)c1 ZINC000353191903 475759074 /nfs/dbraw/zinc/75/90/74/475759074.db2.gz LAFOVIZMUDXOIF-FUHWJXTLSA-N 1 0 330.359 2.990 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358545196 475760050 /nfs/dbraw/zinc/76/00/50/475760050.db2.gz MHGDKJSGRFDXET-CYBMUJFWSA-N 1 0 334.420 2.577 20 5 EFBDRO [NH3+]C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000297472648 475770393 /nfs/dbraw/zinc/77/03/93/475770393.db2.gz YQZBBKCNQHOVNC-SNVBAGLBSA-N 1 0 343.836 2.538 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000340118730 475772664 /nfs/dbraw/zinc/77/26/64/475772664.db2.gz VGSTYGBTJNPGKH-CABCVRRESA-N 1 0 348.447 2.699 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000338332632 475796630 /nfs/dbraw/zinc/79/66/30/475796630.db2.gz OORJLUYYTLLHBL-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000355309192 475815362 /nfs/dbraw/zinc/81/53/62/475815362.db2.gz CIAYZZINSYXNLA-UHFFFAOYSA-N 1 0 335.429 2.699 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@@H](CO)C2)n1 ZINC000348681994 475816550 /nfs/dbraw/zinc/81/65/50/475816550.db2.gz MQTWRIGBULJLSI-XUWVNRHRSA-N 1 0 336.436 2.663 20 5 EFBDRO Cn1cc(C[N@H+](C)[C@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348706947 475826614 /nfs/dbraw/zinc/82/66/14/475826614.db2.gz IICDVADVYQZYJC-INIZCTEOSA-N 1 0 330.388 2.606 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346763894 475837965 /nfs/dbraw/zinc/83/79/65/475837965.db2.gz FNJWSHRASCPCPN-UONOGXRCSA-N 1 0 333.432 2.814 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000348732248 475838426 /nfs/dbraw/zinc/83/84/26/475838426.db2.gz VMWBWTJAMGXUBH-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000355341436 475843696 /nfs/dbraw/zinc/84/36/96/475843696.db2.gz JRPJECJLTAESSV-IHRRRGAJSA-N 1 0 335.404 2.635 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353296128 475846329 /nfs/dbraw/zinc/84/63/29/475846329.db2.gz BGKXBVKQCVXYNP-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO Cc1nc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667691 475850249 /nfs/dbraw/zinc/85/02/49/475850249.db2.gz ZQIHCOJZHOACJH-WFASDCNBSA-N 1 0 327.388 2.768 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346807832 475875320 /nfs/dbraw/zinc/87/53/20/475875320.db2.gz MORSLVRVEIEXEI-JTQLQIEISA-N 1 0 332.360 2.648 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346807833 475875420 /nfs/dbraw/zinc/87/54/20/475875420.db2.gz MORSLVRVEIEXEI-SNVBAGLBSA-N 1 0 332.360 2.648 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000338408868 475875582 /nfs/dbraw/zinc/87/55/82/475875582.db2.gz KPDBSNVIPVVBPK-ZIAGYGMSSA-N 1 0 349.431 2.986 20 5 EFBDRO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297782026 475884134 /nfs/dbraw/zinc/88/41/34/475884134.db2.gz LRHSZCMQDABRLY-AWEZNQCLSA-N 1 0 334.420 2.831 20 5 EFBDRO CC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825720 475889785 /nfs/dbraw/zinc/88/97/85/475889785.db2.gz ILRJRTXXMYWHIU-CABCVRRESA-N 1 0 326.418 2.603 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825740 475889841 /nfs/dbraw/zinc/88/98/41/475889841.db2.gz ILRJRTXXMYWHIU-LSDHHAIUSA-N 1 0 326.418 2.603 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000353353292 475893745 /nfs/dbraw/zinc/89/37/45/475893745.db2.gz PSRMMTKQGWODDH-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C[NH3+])C1 ZINC000346831330 475894266 /nfs/dbraw/zinc/89/42/66/475894266.db2.gz KTNNJIWZEUEEBQ-HOTGVXAUSA-N 1 0 345.399 2.793 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000361954861 475895477 /nfs/dbraw/zinc/89/54/77/475895477.db2.gz HUGBUIYHLPWURU-OAHLLOKOSA-N 1 0 347.415 2.590 20 5 EFBDRO COCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358745465 475902379 /nfs/dbraw/zinc/90/23/79/475902379.db2.gz OTPULZDWFORWEO-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358749247 475905402 /nfs/dbraw/zinc/90/54/02/475905402.db2.gz YEDNYAAZYVIASV-UHFFFAOYSA-N 1 0 335.404 2.672 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000346847686 475907695 /nfs/dbraw/zinc/90/76/95/475907695.db2.gz MQTYAHSEABALSA-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C[NH3+])C1 ZINC000346846772 475908044 /nfs/dbraw/zinc/90/80/44/475908044.db2.gz BZQKHGMRPZZFIW-UONOGXRCSA-N 1 0 345.399 2.793 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353382322 475924400 /nfs/dbraw/zinc/92/44/00/475924400.db2.gz PAQHIXQNUKFFKO-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353382321 475925132 /nfs/dbraw/zinc/92/51/32/475925132.db2.gz PAQHIXQNUKFFKO-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396502 475934666 /nfs/dbraw/zinc/93/46/66/475934666.db2.gz UBLAHAKZXZUDPS-JKIFEVAISA-N 1 0 344.415 2.822 20 5 EFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020421 475941567 /nfs/dbraw/zinc/94/15/67/475941567.db2.gz XKEDOZVSYHTZFR-CVEARBPZSA-N 1 0 347.371 2.533 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000340337458 475959147 /nfs/dbraw/zinc/95/91/47/475959147.db2.gz QWJGKUVEXMMRMX-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO Cn1ccnc1[C@H](NCCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000353434022 475961711 /nfs/dbraw/zinc/96/17/11/475961711.db2.gz ILCVZUSHYWCBHB-MRXNPFEDSA-N 1 0 326.356 2.843 20 5 EFBDRO Cn1ccnc1[C@@H](NCCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000353434021 475962063 /nfs/dbraw/zinc/96/20/63/475962063.db2.gz ILCVZUSHYWCBHB-INIZCTEOSA-N 1 0 326.356 2.843 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000355476491 475970329 /nfs/dbraw/zinc/97/03/29/475970329.db2.gz UDQRWBSOKSZCCX-CYBMUJFWSA-N 1 0 325.368 2.615 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000355476494 475971112 /nfs/dbraw/zinc/97/11/12/475971112.db2.gz UDQRWBSOKSZCCX-ZDUSSCGKSA-N 1 0 325.368 2.615 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000338513493 475971470 /nfs/dbraw/zinc/97/14/70/475971470.db2.gz ZSMAJGKAVPPCFA-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000355513264 475997231 /nfs/dbraw/zinc/99/72/31/475997231.db2.gz LIYRNNXENYZAFH-AWEZNQCLSA-N 1 0 339.395 2.924 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298169770 476006151 /nfs/dbraw/zinc/00/61/51/476006151.db2.gz RSQZVODVJJWCFJ-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343381896 476006495 /nfs/dbraw/zinc/00/64/95/476006495.db2.gz DZYBMMRHADWKFZ-MLGOLLRUSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1cc(C[N@H+](C)CC2(O)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000353487246 476011110 /nfs/dbraw/zinc/01/11/10/476011110.db2.gz DKFRRKQHKNPXAD-UHFFFAOYSA-N 1 0 346.330 2.552 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343391333 476014515 /nfs/dbraw/zinc/01/45/15/476014515.db2.gz UHUOZLHVRUKNFO-LRDDRELGSA-N 1 0 335.404 2.717 20 5 EFBDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000343391624 476016234 /nfs/dbraw/zinc/01/62/34/476016234.db2.gz DYLDPXZICGRSEN-ZIAGYGMSSA-N 1 0 336.779 2.602 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496551 476020471 /nfs/dbraw/zinc/02/04/71/476020471.db2.gz MLOCKONTXJJZQI-WMLDXEAASA-N 1 0 345.447 2.738 20 5 EFBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000349961552 476024836 /nfs/dbraw/zinc/02/48/36/476024836.db2.gz MEAHMBJSEVESII-MJBXVCDLSA-N 1 0 348.447 2.544 20 5 EFBDRO CC[N@H+](CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501594 476026050 /nfs/dbraw/zinc/02/60/50/476026050.db2.gz ZVCXHAPRSFAHFD-KRWDZBQOSA-N 1 0 345.447 2.738 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000340441514 476036831 /nfs/dbraw/zinc/03/68/31/476036831.db2.gz ZRAPBZBUBNRLDF-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000343408096 476037514 /nfs/dbraw/zinc/03/75/14/476037514.db2.gz WZTPICBIQLBOBF-JKSUJKDBSA-N 1 0 330.388 2.739 20 5 EFBDRO COc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000353533069 476052647 /nfs/dbraw/zinc/05/26/47/476052647.db2.gz HZXCNGZORYWFKK-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355755261 476059474 /nfs/dbraw/zinc/05/94/74/476059474.db2.gz ODKAQRNTXIRYCB-GOSISDBHSA-N 1 0 345.374 2.783 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508681 476073981 /nfs/dbraw/zinc/07/39/81/476073981.db2.gz YUQYGTWPCMNPBD-DGCLKSJQSA-N 1 0 346.836 2.694 20 5 EFBDRO C[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000347094521 476090009 /nfs/dbraw/zinc/09/00/09/476090009.db2.gz HHGGADFUNLCBOK-UHFFFAOYSA-N 1 0 329.347 2.628 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343593042 476090729 /nfs/dbraw/zinc/09/07/29/476090729.db2.gz PBIMYMXOJCPLJT-SWLSCSKDSA-N 1 0 343.387 2.708 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000356265709 476095437 /nfs/dbraw/zinc/09/54/37/476095437.db2.gz XUFFNBSIZMZWJD-LJQANCHMSA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)CNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000340549682 476100651 /nfs/dbraw/zinc/10/06/51/476100651.db2.gz BFDBSHHPMGFRQQ-RDTXWAMCSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)CNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000340549680 476101457 /nfs/dbraw/zinc/10/14/57/476101457.db2.gz BFDBSHHPMGFRQQ-KDOFPFPSSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298473595 476106402 /nfs/dbraw/zinc/10/64/02/476106402.db2.gz IVOITGTYRWIGBN-GOSISDBHSA-N 1 0 349.431 2.796 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000340573711 476114858 /nfs/dbraw/zinc/11/48/58/476114858.db2.gz MTFJCZTXIFVUSB-DLBZAZTESA-N 1 0 341.411 2.951 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000338716002 476128796 /nfs/dbraw/zinc/12/87/96/476128796.db2.gz JXUYGNATFJNMHZ-LBPRGKRZSA-N 1 0 332.356 2.990 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2COCCO2)s1 ZINC000338716249 476129071 /nfs/dbraw/zinc/12/90/71/476129071.db2.gz OWBAPOGDXQOGOP-GFCCVEGCSA-N 1 0 334.397 2.828 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353622570 476131289 /nfs/dbraw/zinc/13/12/89/476131289.db2.gz OEJJFAAEGYUCJC-INIZCTEOSA-N 1 0 344.415 2.824 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000356797933 476131421 /nfs/dbraw/zinc/13/14/21/476131421.db2.gz QZEJVOAYLOSBCO-UWVGGRQHSA-N 1 0 328.210 2.886 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000356797928 476132101 /nfs/dbraw/zinc/13/21/01/476132101.db2.gz QZEJVOAYLOSBCO-NXEZZACHSA-N 1 0 328.210 2.886 20 5 EFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000300487684 476156618 /nfs/dbraw/zinc/15/66/18/476156618.db2.gz NAZHWAJCKVQVQG-MWLCHTKSSA-N 1 0 328.210 2.839 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000357051496 476189820 /nfs/dbraw/zinc/18/98/20/476189820.db2.gz JNNWIXQZUZUTFF-GFCCVEGCSA-N 1 0 337.445 2.533 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000347255206 476208591 /nfs/dbraw/zinc/20/85/91/476208591.db2.gz FJVQNUQYHYLOAA-CQSZACIVSA-N 1 0 336.367 2.826 20 5 EFBDRO CN(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000347256267 476209479 /nfs/dbraw/zinc/20/94/79/476209479.db2.gz IPRWAIMJPXTQPN-CYBMUJFWSA-N 1 0 336.323 2.751 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347286895 476231614 /nfs/dbraw/zinc/23/16/14/476231614.db2.gz OXTRWWXZIXZTCF-AWEZNQCLSA-N 1 0 338.383 2.976 20 5 EFBDRO Cn1cc(C[NH2+]CCC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344309700 476237771 /nfs/dbraw/zinc/23/77/71/476237771.db2.gz MZWJBKZXXJCFNF-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000357112683 476240572 /nfs/dbraw/zinc/24/05/72/476240572.db2.gz DLZFIBPKBIBXKK-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO CN(C)C(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353749358 476243130 /nfs/dbraw/zinc/24/31/30/476243130.db2.gz FSOMHFBPIKETQO-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000344315357 476243271 /nfs/dbraw/zinc/24/32/71/476243271.db2.gz IUGAUYGTQLOBDP-HNNXBMFYSA-N 1 0 325.368 2.769 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353756757 476249787 /nfs/dbraw/zinc/24/97/87/476249787.db2.gz GYKYVRCLZBVTCV-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000353761787 476255318 /nfs/dbraw/zinc/25/53/18/476255318.db2.gz UUVITGHCRBGBQU-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000357138901 476257832 /nfs/dbraw/zinc/25/78/32/476257832.db2.gz XHZLIKALSKTXHY-UONOGXRCSA-N 1 0 327.384 2.896 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000353769503 476260940 /nfs/dbraw/zinc/26/09/40/476260940.db2.gz PPDTVHPIQVVVBU-UHFFFAOYSA-N 1 0 348.330 2.576 20 5 EFBDRO Cn1c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000359813002 476265274 /nfs/dbraw/zinc/26/52/74/476265274.db2.gz WRFFXFTYJIFIDG-UHFFFAOYSA-N 1 0 348.447 2.804 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000304290559 476276877 /nfs/dbraw/zinc/27/68/77/476276877.db2.gz CFRAKUIMXBYDOV-DOTOQJQBSA-N 1 0 336.436 2.587 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304310350 476277301 /nfs/dbraw/zinc/27/73/01/476277301.db2.gz KFXDNROUFZQRSC-FUHWJXTLSA-N 1 0 344.415 2.636 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304310353 476277346 /nfs/dbraw/zinc/27/73/46/476277346.db2.gz KFXDNROUFZQRSC-SJLPKXTDSA-N 1 0 344.415 2.636 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000360133687 476292804 /nfs/dbraw/zinc/29/28/04/476292804.db2.gz COTIYZGUIHRDSU-AWEZNQCLSA-N 1 0 348.447 2.998 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357225855 476296509 /nfs/dbraw/zinc/29/65/09/476296509.db2.gz COIONULSGGANJT-UHFFFAOYSA-N 1 0 325.384 2.515 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360583623 476309555 /nfs/dbraw/zinc/30/95/55/476309555.db2.gz OZUNULRQPKCXLE-NXHRZFHOSA-N 1 0 345.443 2.907 20 5 EFBDRO COc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000360589156 476311207 /nfs/dbraw/zinc/31/12/07/476311207.db2.gz OQRNJLWCUJXZPX-UHFFFAOYSA-N 1 0 349.431 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000360677091 476338969 /nfs/dbraw/zinc/33/89/69/476338969.db2.gz VBHZTDCILPUEPA-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EFBDRO Cc1cc(-c2noc(CN(C)[C@@H]3CCSC3)n2)cc([N+](=O)[O-])c1 ZINC000351143747 476346303 /nfs/dbraw/zinc/34/63/03/476346303.db2.gz GOXOKNHBBANDQQ-GFCCVEGCSA-N 1 0 334.401 2.891 20 5 EFBDRO Cc1c(-c2noc(CN(C)[C@@H]3CCSC3)n2)cccc1[N+](=O)[O-] ZINC000351142680 476346315 /nfs/dbraw/zinc/34/63/15/476346315.db2.gz DZWJYOGHPLCPGH-LLVKDONJSA-N 1 0 334.401 2.891 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000354024945 476373323 /nfs/dbraw/zinc/37/33/23/476373323.db2.gz WNBAJGMWEDSGPR-CYBMUJFWSA-N 1 0 331.416 2.852 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000354040884 476385301 /nfs/dbraw/zinc/38/53/01/476385301.db2.gz PDANIFNFCHFARM-NJELEJDNSA-N 1 0 332.400 2.878 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000360800573 476396237 /nfs/dbraw/zinc/39/62/37/476396237.db2.gz OFJKIOZRJCQXGS-LXZKKBNFSA-N 1 0 333.432 2.762 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369481080 476420782 /nfs/dbraw/zinc/42/07/82/476420782.db2.gz WFFIXAOZDNQOGK-HNNXBMFYSA-N 1 0 346.431 2.753 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000362820812 476425984 /nfs/dbraw/zinc/42/59/84/476425984.db2.gz RLDZWWDKHZOAKQ-INIZCTEOSA-N 1 0 337.420 2.510 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@H]1C ZINC000362829793 476430626 /nfs/dbraw/zinc/43/06/26/476430626.db2.gz YHSMGZWPQYGYPK-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363583138 476447724 /nfs/dbraw/zinc/44/77/24/476447724.db2.gz QJWJDPQCIYRHRD-HVHJFMEUSA-N 1 0 329.400 2.741 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C(F)(F)F ZINC000363622883 476465141 /nfs/dbraw/zinc/46/51/41/476465141.db2.gz CVXVXFLVYMYHPV-VXGBXAGGSA-N 1 0 345.321 2.889 20 5 EFBDRO CC(C)[NH+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000357578848 476467923 /nfs/dbraw/zinc/46/79/23/476467923.db2.gz FADUFLAZXCKNKH-UHFFFAOYSA-N 1 0 336.436 2.632 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000362919083 476481183 /nfs/dbraw/zinc/48/11/83/476481183.db2.gz RGOWMNJUKLOTNM-CHWSQXEVSA-N 1 0 348.447 2.663 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363667991 476485406 /nfs/dbraw/zinc/48/54/06/476485406.db2.gz ATGNIDJKDPQESF-YNEHKIRRSA-N 1 0 335.429 2.516 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000363670299 476487054 /nfs/dbraw/zinc/48/70/54/476487054.db2.gz JDWPRIAINZGBHF-ZLKJLUDKSA-N 1 0 335.429 2.516 20 5 EFBDRO CNc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000360938346 476489621 /nfs/dbraw/zinc/48/96/21/476489621.db2.gz TULWNHYSFVGKPU-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000360944811 476492407 /nfs/dbraw/zinc/49/24/07/476492407.db2.gz PCMNZAKZDNOYCW-DDUZABMNSA-N 1 0 345.443 2.762 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000360946327 476493345 /nfs/dbraw/zinc/49/33/45/476493345.db2.gz UTZAPCQLDKGULD-OFQRWUPVSA-N 1 0 333.432 2.715 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000360944824 476493423 /nfs/dbraw/zinc/49/34/23/476493423.db2.gz PENLEPBXHMMYCX-SOLBZPMBSA-N 1 0 345.443 2.716 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000362954396 476500076 /nfs/dbraw/zinc/50/00/76/476500076.db2.gz KJCNNTHAENHEQF-RDJZCZTQSA-N 1 0 336.436 2.587 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000362954397 476500194 /nfs/dbraw/zinc/50/01/94/476500194.db2.gz KJCNNTHAENHEQF-WBVHZDCISA-N 1 0 336.436 2.587 20 5 EFBDRO O=C1O[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CC2 ZINC000369736085 476500725 /nfs/dbraw/zinc/50/07/25/476500725.db2.gz MHQJOCIKKQRFQI-INIZCTEOSA-N 1 0 346.383 2.534 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377658935 476503935 /nfs/dbraw/zinc/50/39/35/476503935.db2.gz YTNKVQQDAYLRPD-DZGCQCFKSA-N 1 0 349.822 2.517 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCCCCC1 ZINC000362982693 476514322 /nfs/dbraw/zinc/51/43/22/476514322.db2.gz OUTUMGWIMSXJGN-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000361004163 476537337 /nfs/dbraw/zinc/53/73/37/476537337.db2.gz WVYWWGDZBLSGHN-UHFFFAOYSA-N 1 0 349.431 2.735 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374814986 476541330 /nfs/dbraw/zinc/54/13/30/476541330.db2.gz BMPQUGORPIEGOD-AWEZNQCLSA-N 1 0 343.387 2.656 20 5 EFBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000361016494 476545708 /nfs/dbraw/zinc/54/57/08/476545708.db2.gz ZIYAMDSXHNAYKH-DLBZAZTESA-N 1 0 349.456 2.813 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000374835050 476549512 /nfs/dbraw/zinc/54/95/12/476549512.db2.gz VEPPVRBWRKNJRW-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363108117 476563674 /nfs/dbraw/zinc/56/36/74/476563674.db2.gz RFUTXXPEJMRHRB-CABCVRRESA-N 1 0 344.415 2.526 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363108782 476563719 /nfs/dbraw/zinc/56/37/19/476563719.db2.gz XXWNMRICUFFDRA-HUUCEWRRSA-N 1 0 346.431 2.772 20 5 EFBDRO CCc1nn(C)c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000361044977 476563942 /nfs/dbraw/zinc/56/39/42/476563942.db2.gz KARVJZKHFUKLTO-STQMWFEESA-N 1 0 335.452 2.956 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cc(Cl)c1=O)Cc1ccc(F)cc1 ZINC000357736144 476567183 /nfs/dbraw/zinc/56/71/83/476567183.db2.gz UDNXPEIGAKMLAR-UHFFFAOYSA-N 1 0 339.754 2.681 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000369903267 476581252 /nfs/dbraw/zinc/58/12/52/476581252.db2.gz WALBRZNGWUMMMZ-AWEZNQCLSA-N 1 0 349.406 2.708 20 5 EFBDRO O=[N+]([O-])c1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(F)c1 ZINC000361074112 476584007 /nfs/dbraw/zinc/58/40/07/476584007.db2.gz ARFPUERFXJLMOD-QGZVFWFLSA-N 1 0 345.374 2.913 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000354343021 476598465 /nfs/dbraw/zinc/59/84/65/476598465.db2.gz HWNQKGPQORXBMW-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000361100197 476601723 /nfs/dbraw/zinc/60/17/23/476601723.db2.gz XYMQOHYMXHPLJV-GXTWGEPZSA-N 1 0 334.420 2.628 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000377847883 476611032 /nfs/dbraw/zinc/61/10/32/476611032.db2.gz QZNVIAWELHRDHO-LLVKDONJSA-N 1 0 338.795 2.950 20 5 EFBDRO CNc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000361124091 476617602 /nfs/dbraw/zinc/61/76/02/476617602.db2.gz RHHURIBHBRFURS-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361129206 476621310 /nfs/dbraw/zinc/62/13/10/476621310.db2.gz DKOGCHYGNBRRJV-CZUORRHYSA-N 1 0 345.399 2.643 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000363262977 476631698 /nfs/dbraw/zinc/63/16/98/476631698.db2.gz NWUJDWVBAYXNEM-GFCCVEGCSA-N 1 0 327.331 2.871 20 5 EFBDRO CC1CCC(O)(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000357833175 476637960 /nfs/dbraw/zinc/63/79/60/476637960.db2.gz CQINSELGAFKNIR-UHFFFAOYSA-N 1 0 333.432 2.658 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000354406934 476642661 /nfs/dbraw/zinc/64/26/61/476642661.db2.gz SEOJGOYEVZZBNN-OCCSQVGLSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000354406937 476642986 /nfs/dbraw/zinc/64/29/86/476642986.db2.gz SEOJGOYEVZZBNN-TZMCWYRMSA-N 1 0 335.404 2.548 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365618275 476648142 /nfs/dbraw/zinc/64/81/42/476648142.db2.gz ABKGLHXELMOCQP-ZDUSSCGKSA-N 1 0 330.388 2.717 20 5 EFBDRO COc1ccccc1CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000377940771 476649221 /nfs/dbraw/zinc/64/92/21/476649221.db2.gz LRYAKQDIPZYQTR-UHFFFAOYSA-N 1 0 344.415 2.792 20 5 EFBDRO C[NH+](C)[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccco1 ZINC000352351128 476655823 /nfs/dbraw/zinc/65/58/23/476655823.db2.gz SZSAKIYXYXQOTN-HNNXBMFYSA-N 1 0 326.356 2.873 20 5 EFBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000354436809 476661874 /nfs/dbraw/zinc/66/18/74/476661874.db2.gz CWRWABAWJRRVLJ-KBPBESRZSA-N 1 0 343.431 2.520 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354443193 476665803 /nfs/dbraw/zinc/66/58/03/476665803.db2.gz WTUMRVVBMLPUAV-JSGCOSHPSA-N 1 0 335.404 2.548 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000375104722 476677580 /nfs/dbraw/zinc/67/75/80/476677580.db2.gz HRDAUHVCZNMHJP-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO CO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451869407 476689616 /nfs/dbraw/zinc/68/96/16/476689616.db2.gz RHGUCXFLGHDTPI-JKSUJKDBSA-N 1 0 347.415 2.813 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000354501345 476690051 /nfs/dbraw/zinc/69/00/51/476690051.db2.gz DMVYATDBQLFCOW-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451881340 476697200 /nfs/dbraw/zinc/69/72/00/476697200.db2.gz YEELNEHWMVZIKU-NSHDSACASA-N 1 0 341.383 2.593 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413707263 476699799 /nfs/dbraw/zinc/69/97/99/476699799.db2.gz BGXZJAQYKCHJKS-HYVNUMGLSA-N 1 0 331.416 2.687 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354517712 476702254 /nfs/dbraw/zinc/70/22/54/476702254.db2.gz XAYVMGSDWWVSIV-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354517710 476703232 /nfs/dbraw/zinc/70/32/32/476703232.db2.gz XAYVMGSDWWVSIV-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000422634332 476724361 /nfs/dbraw/zinc/72/43/61/476724361.db2.gz QBSLFXCTYBQUNP-INIZCTEOSA-N 1 0 331.416 2.816 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422730124 476749188 /nfs/dbraw/zinc/74/91/88/476749188.db2.gz DIZANCWSEWGYIL-UHFFFAOYSA-N 1 0 335.404 2.775 20 5 EFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452008393 476772829 /nfs/dbraw/zinc/77/28/29/476772829.db2.gz OWJJGMXTFBXJBG-JTQLQIEISA-N 1 0 335.360 2.525 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199038 476779380 /nfs/dbraw/zinc/77/93/80/476779380.db2.gz AVTYLFINGRKMKL-WMLDXEAASA-N 1 0 336.388 2.815 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452038873 476787857 /nfs/dbraw/zinc/78/78/57/476787857.db2.gz ZDAPCWQSSTTWKU-GDBMZVCRSA-N 1 0 338.404 2.920 20 5 EFBDRO Cc1ccc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000452039581 476788048 /nfs/dbraw/zinc/78/80/48/476788048.db2.gz HJGYYYVRZMFDDP-UHFFFAOYSA-N 1 0 327.384 2.943 20 5 EFBDRO [NH3+]CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000422815231 476790237 /nfs/dbraw/zinc/79/02/37/476790237.db2.gz BAHXWBVGXAOXGS-UHFFFAOYSA-N 1 0 343.836 2.728 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430243859 476791086 /nfs/dbraw/zinc/79/10/86/476791086.db2.gz WCLXBFDJTNBQDS-HNNXBMFYSA-N 1 0 333.432 2.767 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000370406876 476794868 /nfs/dbraw/zinc/79/48/68/476794868.db2.gz QILOUMKBRQQNBH-QGZVFWFLSA-N 1 0 330.388 2.853 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000422845320 476806915 /nfs/dbraw/zinc/80/69/15/476806915.db2.gz BPRDAPAPZXLGAC-HNNXBMFYSA-N 1 0 341.386 2.534 20 5 EFBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(OC)c1 ZINC000366000322 476807364 /nfs/dbraw/zinc/80/73/64/476807364.db2.gz LVABZGCUZPSYNX-UHFFFAOYSA-N 1 0 346.387 2.646 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000390887473 476808375 /nfs/dbraw/zinc/80/83/75/476808375.db2.gz WXJUOUMYMWRXGR-UHFFFAOYSA-N 1 0 334.397 2.597 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422850419 476808919 /nfs/dbraw/zinc/80/89/19/476808919.db2.gz DESRXXMVCCPSGX-KOLCDFICSA-N 1 0 343.836 2.584 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422850418 476809478 /nfs/dbraw/zinc/80/94/78/476809478.db2.gz DESRXXMVCCPSGX-GXSJLCMTSA-N 1 0 343.836 2.584 20 5 EFBDRO Cc1cccc2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n21 ZINC000366004121 476811240 /nfs/dbraw/zinc/81/12/40/476811240.db2.gz MQIBYQZOVQNPRT-UHFFFAOYSA-N 1 0 340.387 2.585 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000392303255 476824067 /nfs/dbraw/zinc/82/40/67/476824067.db2.gz APUNSWBLMGHPEQ-LBPRGKRZSA-N 1 0 332.404 2.622 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422880682 476825279 /nfs/dbraw/zinc/82/52/79/476825279.db2.gz XMGZBYLAFFBZKO-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000422883134 476827486 /nfs/dbraw/zinc/82/74/86/476827486.db2.gz BQXQOLNYHQUCJF-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000457031111 476838225 /nfs/dbraw/zinc/83/82/25/476838225.db2.gz LRRGACQAHOAXLK-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452121169 476838948 /nfs/dbraw/zinc/83/89/48/476838948.db2.gz GJDOBRIQPVVLNL-QWHCGFSZSA-N 1 0 346.387 2.800 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](CCCO)C3)co2)cc1 ZINC000452128653 476848253 /nfs/dbraw/zinc/84/82/53/476848253.db2.gz YEWUOCFVKINOAN-ZDUSSCGKSA-N 1 0 331.372 2.844 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000446274512 476853067 /nfs/dbraw/zinc/85/30/67/476853067.db2.gz GVVFQBJPOUAFGA-GDBMZVCRSA-N 1 0 333.432 2.859 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457066972 476857600 /nfs/dbraw/zinc/85/76/00/476857600.db2.gz BGDAERXRXFAFGZ-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO CSc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457084522 476865602 /nfs/dbraw/zinc/86/56/02/476865602.db2.gz LOEGUNPLJRSHMD-ZDUSSCGKSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578747 476867624 /nfs/dbraw/zinc/86/76/24/476867624.db2.gz BHYVNLMYTUMCJV-UONOGXRCSA-N 1 0 336.436 2.535 20 5 EFBDRO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000422965831 476871057 /nfs/dbraw/zinc/87/10/57/476871057.db2.gz PVNWUYJCSQEFQG-MRXNPFEDSA-N 1 0 327.384 2.937 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC[N@@H+]1C ZINC000446418205 476874070 /nfs/dbraw/zinc/87/40/70/476874070.db2.gz NLYZNPFGSDWCRO-DYVFJYSZSA-N 1 0 349.434 2.894 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000457113183 476884127 /nfs/dbraw/zinc/88/41/27/476884127.db2.gz JWCVCNHTVUJGSW-CYBMUJFWSA-N 1 0 325.796 2.803 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949219 476896934 /nfs/dbraw/zinc/89/69/34/476896934.db2.gz NGAFVRQYYYUWFV-SECBINFHSA-N 1 0 346.334 2.691 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457167393 476911176 /nfs/dbraw/zinc/91/11/76/476911176.db2.gz AWVOWFDFZJEMLQ-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO COc1cc(C(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000457170511 476912289 /nfs/dbraw/zinc/91/22/89/476912289.db2.gz QYBQXASOMYIBSK-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370662502 476920826 /nfs/dbraw/zinc/92/08/26/476920826.db2.gz MARMEPGAGOHMHR-WBAXXEDZSA-N 1 0 333.432 2.889 20 5 EFBDRO O=[N+]([O-])c1cc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C(F)(F)F)c1 ZINC000423091746 476924612 /nfs/dbraw/zinc/92/46/12/476924612.db2.gz YPEKNAFZZNFTQZ-FUNVUKJBSA-N 1 0 329.322 2.986 20 5 EFBDRO COc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000446954623 476937685 /nfs/dbraw/zinc/93/76/85/476937685.db2.gz QSLSDUNDFHDVEA-UHFFFAOYSA-N 1 0 349.412 2.657 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000408148333 476940982 /nfs/dbraw/zinc/94/09/82/476940982.db2.gz BQORNWZPLVBHDB-HZSPNIEDSA-N 1 0 346.431 2.654 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415589945 476943151 /nfs/dbraw/zinc/94/31/51/476943151.db2.gz ZJWWTMGUHRPDER-HZSPNIEDSA-N 1 0 332.404 2.721 20 5 EFBDRO COc1c(C(=O)N2CC[N@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000408313257 476945718 /nfs/dbraw/zinc/94/57/18/476945718.db2.gz GXTSEPGFVAKBGZ-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415666428 476951598 /nfs/dbraw/zinc/95/15/98/476951598.db2.gz WWLOMNUCFYWWEX-LLVKDONJSA-N 1 0 336.392 2.585 20 5 EFBDRO COC1(CO)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000447098475 476954769 /nfs/dbraw/zinc/95/47/69/476954769.db2.gz HNMYKFFNOCHZTD-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(C3CC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000375700150 476960214 /nfs/dbraw/zinc/96/02/14/476960214.db2.gz DEYLAKZAIDIEFE-ZDUSSCGKSA-N 1 0 347.415 2.779 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900565 476962366 /nfs/dbraw/zinc/96/23/66/476962366.db2.gz UBRCVPXGHDCUJF-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000423226989 476968285 /nfs/dbraw/zinc/96/82/85/476968285.db2.gz TVLMYYATBYZBII-KRWDZBQOSA-N 1 0 341.411 2.980 20 5 EFBDRO [NH3+]Cc1cccnc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415987921 476978128 /nfs/dbraw/zinc/97/81/28/476978128.db2.gz MBJDYEIIIDWALR-UHFFFAOYSA-N 1 0 341.371 2.645 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000375757433 476989777 /nfs/dbraw/zinc/98/97/77/476989777.db2.gz ZTSXXXSHORQSIQ-MRXNPFEDSA-N 1 0 346.431 2.673 20 5 EFBDRO C[C@@H](Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000447412200 476991339 /nfs/dbraw/zinc/99/13/39/476991339.db2.gz FMOQNWQUEFEWOB-CYBMUJFWSA-N 1 0 329.404 2.653 20 5 EFBDRO CC(C)N(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447510624 477000607 /nfs/dbraw/zinc/00/06/07/477000607.db2.gz PYHBZXUNORSGNK-HOTGVXAUSA-N 1 0 337.468 2.983 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)CCCCCC2)n1 ZINC000447535353 477005997 /nfs/dbraw/zinc/00/59/97/477005997.db2.gz FJXDIJWXEWOFAU-LSDHHAIUSA-N 1 0 336.436 2.950 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000447537911 477008153 /nfs/dbraw/zinc/00/81/53/477008153.db2.gz ZJUHQFWEIROTJK-QBPKDAKJSA-N 1 0 349.479 2.985 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447545810 477009476 /nfs/dbraw/zinc/00/94/76/477009476.db2.gz YFGJSMKPHOOGOQ-BZUAXINKSA-N 1 0 337.468 2.841 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447545812 477009666 /nfs/dbraw/zinc/00/96/66/477009666.db2.gz YFGJSMKPHOOGOQ-OWCLPIDISA-N 1 0 337.468 2.841 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000447544287 477009699 /nfs/dbraw/zinc/00/96/99/477009699.db2.gz VPCLBNFMLIRLSA-BRWVUGGUSA-N 1 0 349.479 2.985 20 5 EFBDRO CC1(C)CCCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565131 477013460 /nfs/dbraw/zinc/01/34/60/477013460.db2.gz IXQRTDNKDBHGSL-HOTGVXAUSA-N 1 0 349.479 2.987 20 5 EFBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416096075 477016421 /nfs/dbraw/zinc/01/64/21/477016421.db2.gz PBUVPIDKHWECRC-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447575860 477016565 /nfs/dbraw/zinc/01/65/65/477016565.db2.gz VGRVMFDFCAZSIF-LZWOXQAQSA-N 1 0 336.436 2.662 20 5 EFBDRO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583790 477017829 /nfs/dbraw/zinc/01/78/29/477017829.db2.gz CILHLBNYWJKZGX-HZPDHXFCSA-N 1 0 329.404 2.811 20 5 EFBDRO CC1(C)CCCN[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423398472 477017869 /nfs/dbraw/zinc/01/78/69/477017869.db2.gz VMAYTOUTUGOHLL-SOUVJXGZSA-N 1 0 335.452 2.643 20 5 EFBDRO CC1(C)CCCN[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423398465 477018079 /nfs/dbraw/zinc/01/80/79/477018079.db2.gz VMAYTOUTUGOHLL-QLFBSQMISA-N 1 0 335.452 2.643 20 5 EFBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447589642 477018446 /nfs/dbraw/zinc/01/84/46/477018446.db2.gz YTHOYUSLKGSGBH-CABCVRRESA-N 1 0 344.419 2.526 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOC3(CCC3)C2)n1 ZINC000447589786 477018792 /nfs/dbraw/zinc/01/87/92/477018792.db2.gz YYRUEIIWKYNSKD-QLFBSQMISA-N 1 0 334.420 2.966 20 5 EFBDRO COC[C@@]1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411866 477025588 /nfs/dbraw/zinc/02/55/88/477025588.db2.gz GMMLXVPEJDFSMF-AEFFLSMTSA-N 1 0 333.432 2.675 20 5 EFBDRO C[C@H](CCCC[NH3+])N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423420903 477029012 /nfs/dbraw/zinc/02/90/12/477029012.db2.gz BWAWZHMTGZPBJU-CJNGLKHVSA-N 1 0 331.420 2.525 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCCC1 ZINC000447799342 477059336 /nfs/dbraw/zinc/05/93/36/477059336.db2.gz HTDUEIRXZFUHIF-UHFFFAOYSA-N 1 0 327.768 2.543 20 5 EFBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC000410817231 477062942 /nfs/dbraw/zinc/06/29/42/477062942.db2.gz IOCHHPCGTGDSEW-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423528369 477063676 /nfs/dbraw/zinc/06/36/76/477063676.db2.gz NWNKGYZLYJSKKM-LEWSCRJBSA-N 1 0 335.429 2.516 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447810571 477064265 /nfs/dbraw/zinc/06/42/65/477064265.db2.gz JQYUQKQAFWEBDD-VHSXEESVSA-N 1 0 341.795 2.929 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000431666438 477071395 /nfs/dbraw/zinc/07/13/95/477071395.db2.gz TYLBXHPCNIQZGL-JSGCOSHPSA-N 1 0 334.420 2.612 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423570800 477073888 /nfs/dbraw/zinc/07/38/88/477073888.db2.gz XDLRGTUNKRJQMM-UHFFFAOYSA-N 1 0 327.384 2.813 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423599621 477079108 /nfs/dbraw/zinc/07/91/08/477079108.db2.gz XMSHHVOEQWBBNM-MNOVXSKESA-N 1 0 343.836 2.726 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423629896 477092509 /nfs/dbraw/zinc/09/25/09/477092509.db2.gz XVKOGWJDPSAXGQ-GXSJLCMTSA-N 1 0 343.836 2.597 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423639651 477095968 /nfs/dbraw/zinc/09/59/68/477095968.db2.gz DHWGEENUALAUPD-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423652048 477100730 /nfs/dbraw/zinc/10/07/30/477100730.db2.gz WWGKWHRASDPWCQ-SFHVURJKSA-N 1 0 331.416 2.934 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423666653 477104761 /nfs/dbraw/zinc/10/47/61/477104761.db2.gz SJAIAAXTPYHZOV-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000411082966 477108109 /nfs/dbraw/zinc/10/81/09/477108109.db2.gz CAKQRNFILXLLRP-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000447980457 477109044 /nfs/dbraw/zinc/10/90/44/477109044.db2.gz XAUARRPTNGPOOE-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000411089862 477109668 /nfs/dbraw/zinc/10/96/68/477109668.db2.gz XPZFTKRVJZFMAJ-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)s1 ZINC000447990195 477110435 /nfs/dbraw/zinc/11/04/35/477110435.db2.gz RDDVGRAFVFGCGZ-GDBMZVCRSA-N 1 0 348.424 2.953 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000447988934 477111198 /nfs/dbraw/zinc/11/11/98/477111198.db2.gz IRKICPODEHTAHM-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423717402 477120775 /nfs/dbraw/zinc/12/07/75/477120775.db2.gz JUDZHHKGTVLXCU-JKSUJKDBSA-N 1 0 345.443 2.982 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423733750 477125688 /nfs/dbraw/zinc/12/56/88/477125688.db2.gz OASZFDSYYVLUKG-LBPRGKRZSA-N 1 0 343.836 2.597 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000432001427 477136286 /nfs/dbraw/zinc/13/62/86/477136286.db2.gz XJYHIGCBQQKCKK-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000448249895 477149227 /nfs/dbraw/zinc/14/92/27/477149227.db2.gz YBVKPKSZSRRNGO-ZDUSSCGKSA-N 1 0 337.395 2.832 20 5 EFBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000376098714 477173468 /nfs/dbraw/zinc/17/34/68/477173468.db2.gz WAFCDBHCXZUKQE-GFCCVEGCSA-N 1 0 329.360 2.740 20 5 EFBDRO Cn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000376098715 477173802 /nfs/dbraw/zinc/17/38/02/477173802.db2.gz WAFCDBHCXZUKQE-LBPRGKRZSA-N 1 0 329.360 2.740 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376106543 477178368 /nfs/dbraw/zinc/17/83/68/477178368.db2.gz JWDSVDZJLPCDDC-OLZOCXBDSA-N 1 0 333.388 2.729 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432314691 477192823 /nfs/dbraw/zinc/19/28/23/477192823.db2.gz PCXJCOMAXVIFDY-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453238101 477195553 /nfs/dbraw/zinc/19/55/53/477195553.db2.gz NJXPZYXOWCELFH-ZWNOBZJWSA-N 1 0 343.387 2.668 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432338026 477198184 /nfs/dbraw/zinc/19/81/84/477198184.db2.gz VTAPIXYKSOBHBH-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263878 477202326 /nfs/dbraw/zinc/20/23/26/477202326.db2.gz UKXPGFCKPDPGCF-ZWKOTPCHSA-N 1 0 335.448 2.872 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453329150 477208220 /nfs/dbraw/zinc/20/82/20/477208220.db2.gz UNUWEGOOHHKGHV-CSMYWGQOSA-N 1 0 334.416 2.958 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453356668 477213312 /nfs/dbraw/zinc/21/33/12/477213312.db2.gz NDHCVXPYMDHMFM-NOVWEMISSA-N 1 0 334.416 2.700 20 5 EFBDRO Cc1c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000371292260 477222291 /nfs/dbraw/zinc/22/22/91/477222291.db2.gz BIFMTEDKDIDJAD-KBAYOESNSA-N 1 0 333.432 2.587 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000411417146 477227138 /nfs/dbraw/zinc/22/71/38/477227138.db2.gz DXBUAVODJKEPFS-KJWYOANISA-N 1 0 345.443 2.935 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843699 477227804 /nfs/dbraw/zinc/22/78/04/477227804.db2.gz CGVNJLXXFZQYOL-UKRRQHHQSA-N 1 0 334.420 2.782 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000423954611 477231811 /nfs/dbraw/zinc/23/18/11/477231811.db2.gz BVFXQYFGSLIOAG-INIZCTEOSA-N 1 0 327.384 2.895 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423960715 477235106 /nfs/dbraw/zinc/23/51/06/477235106.db2.gz NMUUEEQUIGRWMN-CQSZACIVSA-N 1 0 337.445 2.954 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411455661 477241458 /nfs/dbraw/zinc/24/14/58/477241458.db2.gz YULPHORQHHMRKL-CYBMUJFWSA-N 1 0 325.434 2.997 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424001821 477256410 /nfs/dbraw/zinc/25/64/10/477256410.db2.gz ICPFVLYTGLFLOV-UHFFFAOYSA-N 1 0 325.434 2.764 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411501202 477256625 /nfs/dbraw/zinc/25/66/25/477256625.db2.gz AQDDNNNKCPGABC-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424007062 477258743 /nfs/dbraw/zinc/25/87/43/477258743.db2.gz FSUUHXXIDWEHKE-JKSUJKDBSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424022339 477263517 /nfs/dbraw/zinc/26/35/17/477263517.db2.gz CYHRELOHKRHJOD-DZGCQCFKSA-N 1 0 343.358 2.609 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000376282528 477267034 /nfs/dbraw/zinc/26/70/34/477267034.db2.gz AWSWKRBQVUEQKK-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000424053817 477275521 /nfs/dbraw/zinc/27/55/21/477275521.db2.gz ADODEERBQNVQBE-NTZNESFSSA-N 1 0 331.372 2.786 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000411576360 477281196 /nfs/dbraw/zinc/28/11/96/477281196.db2.gz YTJKSBZZQVSWPX-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO CCOc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432871746 477283651 /nfs/dbraw/zinc/28/36/51/477283651.db2.gz JLXLZDSLAQQEKC-CQSZACIVSA-N 1 0 337.420 2.906 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411604456 477290230 /nfs/dbraw/zinc/29/02/30/477290230.db2.gz NWEDQAKBLCGCNU-DFEHZGFQSA-N 1 0 345.443 2.935 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000458162200 477295592 /nfs/dbraw/zinc/29/55/92/477295592.db2.gz HWXGNPHZRBPGST-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164194 477311853 /nfs/dbraw/zinc/31/18/53/477311853.db2.gz ZOHAVIZUZDTUCT-RHSMWYFYSA-N 1 0 334.416 2.694 20 5 EFBDRO CSc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458193518 477315103 /nfs/dbraw/zinc/31/51/03/477315103.db2.gz PPBZDEQCIOLEOQ-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000376403508 477316786 /nfs/dbraw/zinc/31/67/86/477316786.db2.gz OBCVDDZPQXOURJ-HNNXBMFYSA-N 1 0 331.416 2.966 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424177926 477317776 /nfs/dbraw/zinc/31/77/76/477317776.db2.gz VLQKWTAYWQXNAZ-GJZGRUSLSA-N 1 0 348.399 2.672 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458289541 477336622 /nfs/dbraw/zinc/33/66/22/477336622.db2.gz RJOKEVGNOGMOIA-UHFFFAOYSA-N 1 0 345.403 2.893 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411724654 477344501 /nfs/dbraw/zinc/34/45/01/477344501.db2.gz YXHWRCCVEBRXNS-YOEHRIQHSA-N 1 0 349.431 2.939 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000367157969 477370288 /nfs/dbraw/zinc/37/02/88/477370288.db2.gz GQNMWSAROXRGGS-CQSZACIVSA-N 1 0 332.429 2.797 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448979143 477370422 /nfs/dbraw/zinc/37/04/22/477370422.db2.gz GNAZHMAQHAOASK-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO COc1cc(-c2nc(C3([NH3+])CCCCC3)no2)c([N+](=O)[O-])cc1F ZINC000424340784 477376883 /nfs/dbraw/zinc/37/68/83/477376883.db2.gz HQRXSTQXXCFHMA-UHFFFAOYSA-N 1 0 336.323 2.911 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000367206929 477392655 /nfs/dbraw/zinc/39/26/55/477392655.db2.gz VARAVACGQPKMEZ-CQSZACIVSA-N 1 0 348.321 2.753 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000367218971 477400477 /nfs/dbraw/zinc/40/04/77/477400477.db2.gz LGLLBURONFXHNT-KBPBESRZSA-N 1 0 347.415 2.692 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411991121 477401950 /nfs/dbraw/zinc/40/19/50/477401950.db2.gz YLSZCMZBHDJCKW-XKQJLSEDSA-N 1 0 339.395 2.857 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000371597501 477403136 /nfs/dbraw/zinc/40/31/36/477403136.db2.gz QNYJOCNZNBWTDK-CQSZACIVSA-N 1 0 347.415 2.740 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367263147 477421047 /nfs/dbraw/zinc/42/10/47/477421047.db2.gz BTMSHZMASDRIDH-ZDUSSCGKSA-N 1 0 325.796 2.913 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000449071145 477422058 /nfs/dbraw/zinc/42/20/58/477422058.db2.gz AIVLCRYYFSQTOP-AWEZNQCLSA-N 1 0 328.416 2.891 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376618493 477430818 /nfs/dbraw/zinc/43/08/18/477430818.db2.gz LZGAIQHARVRCQW-JOZWUWCOSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376622894 477433637 /nfs/dbraw/zinc/43/36/37/477433637.db2.gz YCJXGITWCWPFII-BOLDSZDNSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000449092922 477433909 /nfs/dbraw/zinc/43/39/09/477433909.db2.gz VWSHPBHIWABAGV-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449097042 477437733 /nfs/dbraw/zinc/43/77/33/477437733.db2.gz KMXHRCHVIWAPDS-RDJZCZTQSA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000449112429 477444037 /nfs/dbraw/zinc/44/40/37/477444037.db2.gz CIIJBTVFOGSZAX-KFWWJZLASA-N 1 0 333.432 2.905 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458509316 477457510 /nfs/dbraw/zinc/45/75/10/477457510.db2.gz PDPTXTCSSZOVIR-LSDHHAIUSA-N 1 0 348.447 2.995 20 5 EFBDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000371737977 477470664 /nfs/dbraw/zinc/47/06/64/477470664.db2.gz YZKLQYVCHMNHOR-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1c(=O)[nH]c2ccccc21 ZINC000449177858 477471285 /nfs/dbraw/zinc/47/12/85/477471285.db2.gz QWLHHFGGDYDHSO-CYBMUJFWSA-N 1 0 340.383 2.871 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449181982 477472914 /nfs/dbraw/zinc/47/29/14/477472914.db2.gz AIFBGEUNRZJNLZ-KGLIPLIRSA-N 1 0 349.456 2.778 20 5 EFBDRO CC(C)[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000413043817 477483685 /nfs/dbraw/zinc/48/36/85/477483685.db2.gz NTGMEWURXWSMDK-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO C[C@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000449208850 477486818 /nfs/dbraw/zinc/48/68/18/477486818.db2.gz PSMMSDOSAOHESA-IFXJQAMLSA-N 1 0 339.395 2.703 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000449215927 477491219 /nfs/dbraw/zinc/49/12/19/477491219.db2.gz PHTBWMDEBCVHAB-GOEBONIOSA-N 1 0 326.400 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c2cccnc21 ZINC000413058373 477492892 /nfs/dbraw/zinc/49/28/92/477492892.db2.gz HRXWYKYSRURKRB-UHFFFAOYSA-N 1 0 330.388 2.667 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455091560 477495433 /nfs/dbraw/zinc/49/54/33/477495433.db2.gz INJSSILDHQZREU-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000455092218 477495685 /nfs/dbraw/zinc/49/56/85/477495685.db2.gz JMFVRHBFSHYPOD-MJBXVCDLSA-N 1 0 334.420 2.780 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000449265543 477515669 /nfs/dbraw/zinc/51/56/69/477515669.db2.gz SBRUFKKRENKZSX-SIIHOXLZSA-N 1 0 344.415 2.769 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376824832 477518916 /nfs/dbraw/zinc/51/89/16/477518916.db2.gz YCWTYVYHWDYUAB-HUUCEWRRSA-N 1 0 331.416 2.877 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000455164834 477526553 /nfs/dbraw/zinc/52/65/53/477526553.db2.gz KDBTZIWUKKVAEW-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CNC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449303321 477534706 /nfs/dbraw/zinc/53/47/06/477534706.db2.gz XVJXLWJGYUJGMA-YOEHRIQHSA-N 1 0 341.411 2.993 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000458690474 477548984 /nfs/dbraw/zinc/54/89/84/477548984.db2.gz LASWFTBDAZFCKR-ZDUSSCGKSA-N 1 0 334.420 2.529 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000449331074 477549848 /nfs/dbraw/zinc/54/98/48/477549848.db2.gz XCMVSLYFDNWAEN-MGHWNKPDSA-N 1 0 345.443 2.762 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCSC1 ZINC000413173432 477553423 /nfs/dbraw/zinc/55/34/23/477553423.db2.gz PBFWIIFFCVKCCU-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000449343010 477556313 /nfs/dbraw/zinc/55/63/13/477556313.db2.gz HCWCUSVKEKLLHP-CJNGLKHVSA-N 1 0 327.384 2.732 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1F ZINC000413190662 477561778 /nfs/dbraw/zinc/56/17/78/477561778.db2.gz KGYKSPXHNBXXNH-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449703740 477572349 /nfs/dbraw/zinc/57/23/49/477572349.db2.gz WZTGFFFATYLBSH-CQSZACIVSA-N 1 0 333.413 2.927 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449753431 477572580 /nfs/dbraw/zinc/57/25/80/477572580.db2.gz OJVKYKJIQJDTKO-ZDUSSCGKSA-N 1 0 346.412 2.589 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413223969 477578127 /nfs/dbraw/zinc/57/81/27/477578127.db2.gz DXTLXQKCXVMZDC-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1cc(C(=O)NCCC[NH2+]C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000419887746 477584136 /nfs/dbraw/zinc/58/41/36/477584136.db2.gz DVPTXZOLHMPEGE-UHFFFAOYSA-N 1 0 349.431 2.954 20 5 EFBDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000376972959 477585998 /nfs/dbraw/zinc/58/59/98/477585998.db2.gz SQOZUFHTQLCJBN-CYBMUJFWSA-N 1 0 339.367 2.563 20 5 EFBDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000376972960 477586299 /nfs/dbraw/zinc/58/62/99/477586299.db2.gz SQOZUFHTQLCJBN-ZDUSSCGKSA-N 1 0 339.367 2.563 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000367605470 477597683 /nfs/dbraw/zinc/59/76/83/477597683.db2.gz DHBVVLDGISSSFV-SFHVURJKSA-N 1 0 346.358 2.836 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000372009603 477598703 /nfs/dbraw/zinc/59/87/03/477598703.db2.gz KXLSTWILMVRQMS-ZDUSSCGKSA-N 1 0 338.379 2.991 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000372035245 477607913 /nfs/dbraw/zinc/60/79/13/477607913.db2.gz CFCUKEGXCPLWHW-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CC2)C1 ZINC000450551314 477630169 /nfs/dbraw/zinc/63/01/69/477630169.db2.gz ZLOJZMYLCQPRRL-LBPRGKRZSA-N 1 0 343.387 2.565 20 5 EFBDRO CCn1ccnc1[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000455456139 477641355 /nfs/dbraw/zinc/64/13/55/477641355.db2.gz OYTSRRUODKEQPQ-GFCCVEGCSA-N 1 0 331.376 2.714 20 5 EFBDRO C[N@H+](CCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000413350508 477642046 /nfs/dbraw/zinc/64/20/46/477642046.db2.gz WPYWQVGPKRMMSN-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458888554 477644530 /nfs/dbraw/zinc/64/45/30/477644530.db2.gz MANYPEVTMUEMDL-UONOGXRCSA-N 1 0 334.420 2.639 20 5 EFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c2cccc([N+](=O)[O-])c2n1 ZINC000450591939 477645192 /nfs/dbraw/zinc/64/51/92/477645192.db2.gz GRMUQGYESCOFJX-AWEZNQCLSA-N 1 0 344.415 2.710 20 5 EFBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c2cccc([N+](=O)[O-])c2n1 ZINC000450591943 477645790 /nfs/dbraw/zinc/64/57/90/477645790.db2.gz GRMUQGYESCOFJX-CQSZACIVSA-N 1 0 344.415 2.710 20 5 EFBDRO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892000 477646075 /nfs/dbraw/zinc/64/60/75/477646075.db2.gz TWGFHDUZWJTHCB-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420245633 477647644 /nfs/dbraw/zinc/64/76/44/477647644.db2.gz RDCQQXQAFZTVOX-AWEZNQCLSA-N 1 0 341.415 2.925 20 5 EFBDRO Cc1cc(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000420279219 477659576 /nfs/dbraw/zinc/65/95/76/477659576.db2.gz JYVYGSBVSAPXFE-GOEBONIOSA-N 1 0 344.390 2.664 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000420288284 477664803 /nfs/dbraw/zinc/66/48/03/477664803.db2.gz RYOMMJWCEQJRHW-PSASIEDQSA-N 1 0 329.198 2.682 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000420287382 477665483 /nfs/dbraw/zinc/66/54/83/477665483.db2.gz XISNRDRRUGMGPY-INIZCTEOSA-N 1 0 342.399 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000372156364 477667294 /nfs/dbraw/zinc/66/72/94/477667294.db2.gz JYQNSVBJGVUQHU-UONOGXRCSA-N 1 0 344.371 2.503 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000413430937 477676116 /nfs/dbraw/zinc/67/61/16/477676116.db2.gz ADTKOUAQVXAGAK-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000413437968 477679052 /nfs/dbraw/zinc/67/90/52/477679052.db2.gz KWVXXHJSZSEUHT-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO Cc1cc(N2CCCO[C@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413485685 477696608 /nfs/dbraw/zinc/69/66/08/477696608.db2.gz UUWUVGKBMCFQQE-OAHLLOKOSA-N 1 0 346.362 2.925 20 5 EFBDRO C[N@H+](CCCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000455601087 477697739 /nfs/dbraw/zinc/69/77/39/477697739.db2.gz BYQVTFCTBMRBJR-UHFFFAOYSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000426417591 477708226 /nfs/dbraw/zinc/70/82/26/477708226.db2.gz BQQROTGQCRUZKJ-GASCZTMLSA-N 1 0 348.447 2.706 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420382526 477736127 /nfs/dbraw/zinc/73/61/27/477736127.db2.gz APFHVURGBUQDSV-BLLLJJGKSA-N 1 0 333.338 2.800 20 5 EFBDRO CC(=O)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000450884702 477749790 /nfs/dbraw/zinc/74/97/90/477749790.db2.gz SRRXOZIGKGHQFS-UHFFFAOYSA-N 1 0 328.372 2.831 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])s1 ZINC000372329656 477758781 /nfs/dbraw/zinc/75/87/81/477758781.db2.gz COPYPOMVUVMXRU-VIKVFOODSA-N 1 0 343.408 2.517 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000426928046 477760179 /nfs/dbraw/zinc/76/01/79/477760179.db2.gz XFXJEUHOVXVODR-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCC([NH+](C)C)CC1 ZINC000420621922 477761872 /nfs/dbraw/zinc/76/18/72/477761872.db2.gz DTEHTHJRIJGDDY-UHFFFAOYSA-N 1 0 335.404 2.975 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372340780 477762971 /nfs/dbraw/zinc/76/29/71/477762971.db2.gz VALIDEJDWCPEHU-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427257695 477771272 /nfs/dbraw/zinc/77/12/72/477771272.db2.gz STOHCJDSBUKXGW-UHFFFAOYSA-N 1 0 333.310 2.599 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000427847830 477781432 /nfs/dbraw/zinc/78/14/32/477781432.db2.gz KWEOTSBJHHEGLF-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000515467105 477826617 /nfs/dbraw/zinc/82/66/17/477826617.db2.gz NFCHQADWCKZCLR-UHFFFAOYSA-N 1 0 348.371 2.536 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110117 477828640 /nfs/dbraw/zinc/82/86/40/477828640.db2.gz ZPNYTMGCDGOBFF-CMPLNLGQSA-N 1 0 345.403 2.623 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000493799624 477830967 /nfs/dbraw/zinc/83/09/67/477830967.db2.gz YOYKROUHOVCZHU-MIVXJQMTSA-N 1 0 335.379 2.579 20 5 EFBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420935662 477834395 /nfs/dbraw/zinc/83/43/95/477834395.db2.gz HYSDCXIDLVKOON-UONOGXRCSA-N 1 0 345.399 2.743 20 5 EFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420935663 477836311 /nfs/dbraw/zinc/83/63/11/477836311.db2.gz HYSDCXIDLVKOON-ZIAGYGMSSA-N 1 0 345.399 2.743 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167977 477848107 /nfs/dbraw/zinc/84/81/07/477848107.db2.gz YIEVOMXJLUHDOD-SNUQEOBHSA-N 1 0 330.432 2.937 20 5 EFBDRO Cc1ccccc1CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451168525 477857373 /nfs/dbraw/zinc/85/73/73/477857373.db2.gz VWVYOQBRXYRTGO-KRWDZBQOSA-N 1 0 344.411 2.817 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000516088001 477888017 /nfs/dbraw/zinc/88/80/17/477888017.db2.gz GJLJSWZYOHXGRT-ZIAGYGMSSA-N 1 0 334.420 2.840 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421013889 477902409 /nfs/dbraw/zinc/90/24/09/477902409.db2.gz JPIOGORMABHHPH-GJZGRUSLSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421022286 477911944 /nfs/dbraw/zinc/91/19/44/477911944.db2.gz UNLWAKAKYOHGGP-HNNXBMFYSA-N 1 0 349.431 2.716 20 5 EFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451258835 477913372 /nfs/dbraw/zinc/91/33/72/477913372.db2.gz RXHSQAMAPZUCKT-GDBMZVCRSA-N 1 0 345.399 2.885 20 5 EFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451258838 477913830 /nfs/dbraw/zinc/91/38/30/477913830.db2.gz RXHSQAMAPZUCKT-ZBFHGGJFSA-N 1 0 345.399 2.885 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000462878814 477921340 /nfs/dbraw/zinc/92/13/40/477921340.db2.gz UKRYQZUTDBBDIH-VDBIKXPHSA-N 1 0 326.343 2.948 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000462878816 477921679 /nfs/dbraw/zinc/92/16/79/477921679.db2.gz UKRYQZUTDBBDIH-YRBHFNIASA-N 1 0 326.343 2.948 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000462878815 477921928 /nfs/dbraw/zinc/92/19/28/477921928.db2.gz UKRYQZUTDBBDIH-WEKMIXOTSA-N 1 0 326.343 2.948 20 5 EFBDRO COc1cc(C(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000558700034 477922280 /nfs/dbraw/zinc/92/22/80/477922280.db2.gz KOMOCZJHKYQPRK-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CCOc1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)ccc1[N+](=O)[O-] ZINC000421033771 477923395 /nfs/dbraw/zinc/92/33/95/477923395.db2.gz NBFNMWYBEZLGPY-CYBMUJFWSA-N 1 0 338.404 2.667 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428542746 477925159 /nfs/dbraw/zinc/92/51/59/477925159.db2.gz YFNKFXPMMMOIOL-QZTJIDSGSA-N 1 0 330.359 2.990 20 5 EFBDRO Cc1nc(C(C)C)oc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502288 477940014 /nfs/dbraw/zinc/94/00/14/477940014.db2.gz FEWNJKBUCQQBKU-UHFFFAOYSA-N 1 0 345.403 2.732 20 5 EFBDRO CCc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000459502087 477940507 /nfs/dbraw/zinc/94/05/07/477940507.db2.gz DERYHWDAATZYGN-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO CCCc1nc(C)c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000459501300 477940926 /nfs/dbraw/zinc/94/09/26/477940926.db2.gz CTBREEGGARTYBP-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO CC(C)CSCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459512257 477945902 /nfs/dbraw/zinc/94/59/02/477945902.db2.gz QHTICOPEAWSJQR-UHFFFAOYSA-N 1 0 338.477 2.891 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494254889 477953424 /nfs/dbraw/zinc/95/34/24/477953424.db2.gz VZEQLANNZPTPDU-UHFFFAOYSA-N 1 0 334.347 2.607 20 5 EFBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464809748 477963749 /nfs/dbraw/zinc/96/37/49/477963749.db2.gz CFYPQWJLERLJTD-MAUKXSAKSA-N 1 0 349.431 2.977 20 5 EFBDRO COC(=O)c1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000459548828 477967711 /nfs/dbraw/zinc/96/77/11/477967711.db2.gz RAABTKGRPYMSRA-UHFFFAOYSA-N 1 0 340.379 2.982 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456536814 477971457 /nfs/dbraw/zinc/97/14/57/477971457.db2.gz VLRZUCJZXOMKBR-AWEZNQCLSA-N 1 0 333.432 2.815 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451358110 477973130 /nfs/dbraw/zinc/97/31/30/477973130.db2.gz BDELWOWZLFMWLM-GJRWTSMGSA-N 1 0 341.411 2.986 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000494373419 477973464 /nfs/dbraw/zinc/97/34/64/477973464.db2.gz XZSJQZZFHMUTDP-XEZPLFJOSA-N 1 0 332.404 2.789 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000494373420 477974286 /nfs/dbraw/zinc/97/42/86/477974286.db2.gz XZSJQZZFHMUTDP-ZENOOKHLSA-N 1 0 332.404 2.789 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000516716293 477977908 /nfs/dbraw/zinc/97/79/08/477977908.db2.gz JXEQAEWJOOXQEB-JTQLQIEISA-N 1 0 326.784 2.854 20 5 EFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000428787092 477982417 /nfs/dbraw/zinc/98/24/17/477982417.db2.gz UFGVDLBSJXIQBG-LJQANCHMSA-N 1 0 340.379 2.912 20 5 EFBDRO CSCCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000439496992 477991035 /nfs/dbraw/zinc/99/10/35/477991035.db2.gz UBJBYQRNUSINHG-UHFFFAOYSA-N 1 0 339.417 2.578 20 5 EFBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000459585931 477991463 /nfs/dbraw/zinc/99/14/63/477991463.db2.gz DBUBXYCSTFLRSJ-UHFFFAOYSA-N 1 0 332.404 2.865 20 5 EFBDRO Cc1cc(F)ccc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516862093 477998362 /nfs/dbraw/zinc/99/83/62/477998362.db2.gz IAAXXUDMJOLFBC-MRXNPFEDSA-N 1 0 348.374 2.614 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494500129 477998618 /nfs/dbraw/zinc/99/86/18/477998618.db2.gz CDOBUSFKAGTGHW-OCCSQVGLSA-N 1 0 336.779 2.602 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494498581 477999464 /nfs/dbraw/zinc/99/94/64/477999464.db2.gz WCCKSBDZOWLAMX-SNVBAGLBSA-N 1 0 328.294 2.988 20 5 EFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459597649 478002795 /nfs/dbraw/zinc/00/27/95/478002795.db2.gz OONNNKQGZXWFET-UHFFFAOYSA-N 1 0 333.310 2.618 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532991109 478018675 /nfs/dbraw/zinc/01/86/75/478018675.db2.gz CMIGRJHRTVGAEC-CQSZACIVSA-N 1 0 348.447 2.734 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459647655 478022781 /nfs/dbraw/zinc/02/27/81/478022781.db2.gz ODXUTJZYDBNPEQ-FZNQNYSPSA-N 1 0 330.388 2.652 20 5 EFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533072778 478031521 /nfs/dbraw/zinc/03/15/21/478031521.db2.gz JZCZDLAZHTVIRQ-UHFFFAOYSA-N 1 0 341.367 2.687 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429021729 478039432 /nfs/dbraw/zinc/03/94/32/478039432.db2.gz ROJLPTPCKPALKZ-VKJFTORMSA-N 1 0 333.432 2.636 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429021728 478039486 /nfs/dbraw/zinc/03/94/86/478039486.db2.gz ROJLPTPCKPALKZ-RVKKMQEKSA-N 1 0 333.432 2.636 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000451478618 478040179 /nfs/dbraw/zinc/04/01/79/478040179.db2.gz JXOPERBCNJTFFV-LSDHHAIUSA-N 1 0 347.415 2.779 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCO[C@H]21 ZINC000451480359 478040899 /nfs/dbraw/zinc/04/08/99/478040899.db2.gz QBRIVVLIVPWSGY-HFBAOOFYSA-N 1 0 330.388 2.764 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000439875316 478041097 /nfs/dbraw/zinc/04/10/97/478041097.db2.gz RZIXGNBBZOGOFL-NWDGAFQWSA-N 1 0 336.392 2.598 20 5 EFBDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429027675 478041143 /nfs/dbraw/zinc/04/11/43/478041143.db2.gz KUWOTZWVMGLPLI-IIAWOOMASA-N 1 0 333.432 2.766 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481150 478041411 /nfs/dbraw/zinc/04/14/11/478041411.db2.gz AHHVCBSLRFEIPG-DYVFJYSZSA-N 1 0 346.387 2.938 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000439873775 478042115 /nfs/dbraw/zinc/04/21/15/478042115.db2.gz OFAUSZBZNSEYKK-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439897635 478045219 /nfs/dbraw/zinc/04/52/19/478045219.db2.gz HYKMMYPOHQUHDO-QGZVFWFLSA-N 1 0 346.431 2.530 20 5 EFBDRO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421349047 478045390 /nfs/dbraw/zinc/04/53/90/478045390.db2.gz HJCQVWIFMNBNJR-UKRRQHHQSA-N 1 0 331.416 2.551 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000439917781 478048556 /nfs/dbraw/zinc/04/85/56/478048556.db2.gz SWUPHEAUMAZZNJ-DGCLKSJQSA-N 1 0 336.392 2.598 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451506332 478057007 /nfs/dbraw/zinc/05/70/07/478057007.db2.gz RYFMUUPXCWLTAD-CHWSQXEVSA-N 1 0 341.795 2.590 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000439986220 478058225 /nfs/dbraw/zinc/05/82/25/478058225.db2.gz WRJAQRRTOQSDHU-UHFFFAOYSA-N 1 0 348.447 2.896 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000459728877 478061662 /nfs/dbraw/zinc/06/16/62/478061662.db2.gz CRQMRXLSQUCBHT-JKSUJKDBSA-N 1 0 336.388 2.659 20 5 EFBDRO CON1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421392076 478069013 /nfs/dbraw/zinc/06/90/13/478069013.db2.gz BLUBJXZAXDFMMS-UHFFFAOYSA-N 1 0 348.428 2.834 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000517245063 478071622 /nfs/dbraw/zinc/07/16/22/478071622.db2.gz QQZIZCHLVISDRQ-WBVHZDCISA-N 1 0 333.432 2.761 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451539203 478074046 /nfs/dbraw/zinc/07/40/46/478074046.db2.gz FGMBNTBKSWUKFV-SMDDNHRTSA-N 1 0 332.360 2.502 20 5 EFBDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421398376 478074703 /nfs/dbraw/zinc/07/47/03/478074703.db2.gz YXNCQSQUUTVVKO-ZDUSSCGKSA-N 1 0 329.356 2.565 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000459758564 478076978 /nfs/dbraw/zinc/07/69/78/478076978.db2.gz SIKQVBXYGBSOSP-YXMMZVCTSA-N 1 0 342.395 2.982 20 5 EFBDRO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543191 478077411 /nfs/dbraw/zinc/07/74/11/478077411.db2.gz BGGMGNQEUSWRSW-AEFFLSMTSA-N 1 0 336.432 2.950 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429197330 478077879 /nfs/dbraw/zinc/07/78/79/478077879.db2.gz OKPZSWLXAWGPDF-SLEUVZQESA-N 1 0 337.445 2.661 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451544923 478080018 /nfs/dbraw/zinc/08/00/18/478080018.db2.gz QINLDLZMPVZINN-YOEHRIQHSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459765157 478080350 /nfs/dbraw/zinc/08/03/50/478080350.db2.gz CFTWKLYOFWMZFG-CABCVRRESA-N 1 0 331.372 2.949 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000451546858 478081871 /nfs/dbraw/zinc/08/18/71/478081871.db2.gz KBRJTYKGKMVSON-CQSZACIVSA-N 1 0 328.372 2.773 20 5 EFBDRO O=C1CC[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1 ZINC000451546728 478082860 /nfs/dbraw/zinc/08/28/60/478082860.db2.gz JMVPXSVVKWPWKZ-GOEBONIOSA-N 1 0 331.416 2.691 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[C@H]1C ZINC000487959921 478090571 /nfs/dbraw/zinc/09/05/71/478090571.db2.gz SKKAUVDBHZLVDC-RHSMWYFYSA-N 1 0 349.431 2.979 20 5 EFBDRO CCC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000459786111 478090759 /nfs/dbraw/zinc/09/07/59/478090759.db2.gz CXGIIFCSISMNBA-LBPRGKRZSA-N 1 0 349.387 2.820 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459792757 478095016 /nfs/dbraw/zinc/09/50/16/478095016.db2.gz JBLXDIQSJSFZNF-ZWKOTPCHSA-N 1 0 334.416 2.847 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459796033 478096271 /nfs/dbraw/zinc/09/62/71/478096271.db2.gz VYJCZEDKNURMJW-APHBMKBZSA-N 1 0 347.415 2.859 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C ZINC000488001426 478104100 /nfs/dbraw/zinc/10/41/00/478104100.db2.gz JRNMJACNHQHPHS-PBHICJAKSA-N 1 0 349.431 2.695 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[C@H]1C ZINC000488039852 478109196 /nfs/dbraw/zinc/10/91/96/478109196.db2.gz CZSKESKSKIFBCU-CXAGYDPISA-N 1 0 349.431 2.979 20 5 EFBDRO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000488051392 478111267 /nfs/dbraw/zinc/11/12/67/478111267.db2.gz PXTCQNNSPMRDNN-ZDUSSCGKSA-N 1 0 326.400 2.994 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429350857 478119116 /nfs/dbraw/zinc/11/91/16/478119116.db2.gz DAACXQCKJGJMTM-AWEZNQCLSA-N 1 0 333.432 2.910 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000560625933 478119923 /nfs/dbraw/zinc/11/99/23/478119923.db2.gz JSKDGKALVZINNU-NWDGAFQWSA-N 1 0 335.429 2.625 20 5 EFBDRO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429366446 478121841 /nfs/dbraw/zinc/12/18/41/478121841.db2.gz MESXWFCWIUFDBK-AWEZNQCLSA-N 1 0 333.432 2.910 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000440481138 478122786 /nfs/dbraw/zinc/12/27/86/478122786.db2.gz MHEHZDJTBSWIPQ-LJQANCHMSA-N 1 0 342.395 2.787 20 5 EFBDRO COc1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000451610348 478123844 /nfs/dbraw/zinc/12/38/44/478123844.db2.gz KFPVIPBJHLWMMM-GUYCJALGSA-N 1 0 338.379 2.629 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C(C)C ZINC000429393465 478129538 /nfs/dbraw/zinc/12/95/38/478129538.db2.gz LQJDGRQOLVIJLE-LRDDRELGSA-N 1 0 347.371 2.756 20 5 EFBDRO Cc1cccc2nc(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000518030347 478139594 /nfs/dbraw/zinc/13/95/94/478139594.db2.gz RWDGEQQKVRIALG-ZDUSSCGKSA-N 1 0 338.367 2.971 20 5 EFBDRO CCOc1ccc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429486773 478142781 /nfs/dbraw/zinc/14/27/81/478142781.db2.gz GTMOYUPQTZNFOG-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO CC(C)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000488557246 478160725 /nfs/dbraw/zinc/16/07/25/478160725.db2.gz KUVSGSQGEQFJCL-AWEZNQCLSA-N 1 0 343.374 2.968 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1OC ZINC000488554974 478161093 /nfs/dbraw/zinc/16/10/93/478161093.db2.gz HBIFPEAFQQARGC-CALCHBBNSA-N 1 0 332.356 2.700 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701256 478165373 /nfs/dbraw/zinc/16/53/73/478165373.db2.gz PQXUEGSCLGLNBF-BZPMIXESSA-N 1 0 338.379 2.725 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701260 478166241 /nfs/dbraw/zinc/16/62/41/478166241.db2.gz PQXUEGSCLGLNBF-MBNYWOFBSA-N 1 0 338.379 2.725 20 5 EFBDRO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000561238766 478170010 /nfs/dbraw/zinc/17/00/10/478170010.db2.gz WPLOOORAFMWESF-NTIGPLPUSA-N 1 0 331.416 2.782 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000488723798 478175071 /nfs/dbraw/zinc/17/50/71/478175071.db2.gz XLEWUCWNBKDUHE-HWWQOWPSSA-N 1 0 329.404 2.638 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534859844 478175303 /nfs/dbraw/zinc/17/53/03/478175303.db2.gz BQGMLUNGLSLIQS-UHFFFAOYSA-N 1 0 342.399 2.945 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488722701 478175339 /nfs/dbraw/zinc/17/53/39/478175339.db2.gz VOWFNEJGBVSKMJ-PBFPGSCMSA-N 1 0 331.416 2.964 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000429701805 478175611 /nfs/dbraw/zinc/17/56/11/478175611.db2.gz MJEVPSOSYIXKFT-BBWFWOEESA-N 1 0 332.400 2.911 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000495337984 478176325 /nfs/dbraw/zinc/17/63/25/478176325.db2.gz TWBYJSFODNVRMO-HIFRSBDPSA-N 1 0 333.388 2.649 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)cc1 ZINC000534869986 478176746 /nfs/dbraw/zinc/17/67/46/478176746.db2.gz YYLPASJGSHQUCZ-UHFFFAOYSA-N 1 0 329.400 2.977 20 5 EFBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000495361776 478182252 /nfs/dbraw/zinc/18/22/52/478182252.db2.gz HZBSBMWKJQJGIP-UHFFFAOYSA-N 1 0 346.387 2.615 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429766706 478187813 /nfs/dbraw/zinc/18/78/13/478187813.db2.gz MWBOUYFCVGZBNP-ZFWWWQNUSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518758319 478188593 /nfs/dbraw/zinc/18/85/93/478188593.db2.gz ZEWNZWYJJNERPF-GOEBONIOSA-N 1 0 330.384 2.728 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000518946236 478200170 /nfs/dbraw/zinc/20/01/70/478200170.db2.gz LHMNECKCUQJDGK-UHFFFAOYSA-N 1 0 344.415 2.704 20 5 EFBDRO COc1ccc(OCC[N@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451782403 478202441 /nfs/dbraw/zinc/20/24/41/478202441.db2.gz QRLJUEWNWKIIRV-ZDUSSCGKSA-N 1 0 340.420 2.711 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451784495 478202681 /nfs/dbraw/zinc/20/26/81/478202681.db2.gz UHEAQLXOJJMXSY-CYBMUJFWSA-N 1 0 337.420 2.571 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230649 478202969 /nfs/dbraw/zinc/20/29/69/478202969.db2.gz UFGJHMHXRXNQEP-AWEZNQCLSA-N 1 0 343.431 2.924 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451787968 478203914 /nfs/dbraw/zinc/20/39/14/478203914.db2.gz YOYXNPJXQKEZIK-AWEZNQCLSA-N 1 0 337.420 2.571 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000562053555 478214999 /nfs/dbraw/zinc/21/49/99/478214999.db2.gz VLQJVSRMYOOTEU-MFKMUULPSA-N 1 0 334.294 2.673 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000451837809 478220074 /nfs/dbraw/zinc/22/00/74/478220074.db2.gz IAKZMCSLBMIHAS-GFCCVEGCSA-N 1 0 325.384 2.659 20 5 EFBDRO COC(=O)c1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000536724902 478269712 /nfs/dbraw/zinc/26/97/12/478269712.db2.gz VPOCVRQEVHJIFR-UHFFFAOYSA-N 1 0 340.379 2.982 20 5 EFBDRO CCc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520103669 478275798 /nfs/dbraw/zinc/27/57/98/478275798.db2.gz CPMOGPWPVFPZHV-CYBMUJFWSA-N 1 0 343.431 2.788 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594210617 478276258 /nfs/dbraw/zinc/27/62/58/478276258.db2.gz AEUZTRKASDONGH-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCC1(F)F)OCCO2 ZINC000590658512 478277410 /nfs/dbraw/zinc/27/74/10/478277410.db2.gz FTPDLPAHWPRRBG-LLVKDONJSA-N 1 0 328.315 2.891 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590667808 478282523 /nfs/dbraw/zinc/28/25/23/478282523.db2.gz LKASSHZKFSHSFZ-OAHLLOKOSA-N 1 0 347.415 2.548 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000537093192 478286046 /nfs/dbraw/zinc/28/60/46/478286046.db2.gz ATMYHTVRQUHQOW-DVOMOZLQSA-N 1 0 335.404 2.717 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000520301700 478295187 /nfs/dbraw/zinc/29/51/87/478295187.db2.gz RPFAMDRIHZXMLA-GFCCVEGCSA-N 1 0 333.388 2.668 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000537422693 478302147 /nfs/dbraw/zinc/30/21/47/478302147.db2.gz JYVCWEYZNTUPAE-OAHLLOKOSA-N 1 0 341.411 2.913 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000579463540 478302764 /nfs/dbraw/zinc/30/27/64/478302764.db2.gz YJJWFGPVQYDYIN-HUUCEWRRSA-N 1 0 348.447 2.633 20 5 EFBDRO CC1(C)CC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000590739638 478313761 /nfs/dbraw/zinc/31/37/61/478313761.db2.gz OQICQUXKALOCNX-UHFFFAOYSA-N 1 0 328.372 2.947 20 5 EFBDRO COc1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1O ZINC000520610931 478331427 /nfs/dbraw/zinc/33/14/27/478331427.db2.gz COYMOIPLKXANSY-CYBMUJFWSA-N 1 0 348.330 2.541 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000600309534 478332818 /nfs/dbraw/zinc/33/28/18/478332818.db2.gz BLPROELKINXSMT-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000537975149 478342283 /nfs/dbraw/zinc/34/22/83/478342283.db2.gz CWNLLXUZVIPOSY-CYBMUJFWSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1cc(NCCN2CCO[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000538447668 478359587 /nfs/dbraw/zinc/35/95/87/478359587.db2.gz DHRCJUZRSRBMBP-ZDUSSCGKSA-N 1 0 330.388 2.584 20 5 EFBDRO Cc1[nH+]ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1Cl ZINC000538671577 478372056 /nfs/dbraw/zinc/37/20/56/478372056.db2.gz CVKLHZXBHPQOHH-UHFFFAOYSA-N 1 0 333.779 2.673 20 5 EFBDRO CC(C)(O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000538738548 478381294 /nfs/dbraw/zinc/38/12/94/478381294.db2.gz BLGFZVXDERYEOV-ALCCZGGFSA-N 1 0 334.416 2.860 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594431174 478381483 /nfs/dbraw/zinc/38/14/83/478381483.db2.gz IZUYJQXZRCNKGL-SJLPKXTDSA-N 1 0 331.416 2.722 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000562965279 478396823 /nfs/dbraw/zinc/39/68/23/478396823.db2.gz DYMYMQMDSBDWDU-OAHLLOKOSA-N 1 0 342.399 2.629 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000570618225 478399840 /nfs/dbraw/zinc/39/98/40/478399840.db2.gz KWPXPMARXLVCEF-INIZCTEOSA-N 1 0 346.431 2.673 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597533704 478399970 /nfs/dbraw/zinc/39/99/70/478399970.db2.gz RWFZIEVMQMDJMG-CHWSQXEVSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496606 478411487 /nfs/dbraw/zinc/41/14/87/478411487.db2.gz PNHGJTWDJWGQSA-ZWKOTPCHSA-N 1 0 333.432 2.889 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498788 478412297 /nfs/dbraw/zinc/41/22/97/478412297.db2.gz LIHNPIPELGLGGL-WMLDXEAASA-N 1 0 333.432 2.807 20 5 EFBDRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594506440 478418084 /nfs/dbraw/zinc/41/80/84/478418084.db2.gz RFSZRHXPFQKJAH-MRXNPFEDSA-N 1 0 346.408 2.775 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594511897 478420221 /nfs/dbraw/zinc/42/02/21/478420221.db2.gz SBXQIJGRSLANPM-INIZCTEOSA-N 1 0 325.368 2.946 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000594514214 478421634 /nfs/dbraw/zinc/42/16/34/478421634.db2.gz IEVJTCLYOQHNEX-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000597605499 478430403 /nfs/dbraw/zinc/43/04/03/478430403.db2.gz PRKFUCIUFLARLH-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000597606524 478430535 /nfs/dbraw/zinc/43/05/35/478430535.db2.gz WODJYIGOXLFVNQ-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597606604 478430630 /nfs/dbraw/zinc/43/06/30/478430630.db2.gz XXBRFMLRJTWGGV-CYBMUJFWSA-N 1 0 331.372 2.897 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000591013134 478431551 /nfs/dbraw/zinc/43/15/51/478431551.db2.gz YDZPBUVLUMFFJS-OAHLLOKOSA-N 1 0 333.388 2.806 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000570738388 478434975 /nfs/dbraw/zinc/43/49/75/478434975.db2.gz CYFDUHGRWYZWNN-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO C[N@H+](CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000570744638 478435473 /nfs/dbraw/zinc/43/54/73/478435473.db2.gz MQUUZQMLOWTNJI-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581766049 478437522 /nfs/dbraw/zinc/43/75/22/478437522.db2.gz SKWATYNQRPDQOD-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061816 478446225 /nfs/dbraw/zinc/44/62/25/478446225.db2.gz JTPRSIQEQSGQJV-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000539969182 478452280 /nfs/dbraw/zinc/45/22/80/478452280.db2.gz IGZOIQDXGVPFAU-RDBSUJKOSA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000594596602 478455139 /nfs/dbraw/zinc/45/51/39/478455139.db2.gz AUHVPCMWJXPXMX-CVEARBPZSA-N 1 0 327.388 2.967 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599221 478459458 /nfs/dbraw/zinc/45/94/58/478459458.db2.gz IGIOQHJBCXEBHH-ZBFHGGJFSA-N 1 0 347.415 2.739 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597697248 478468516 /nfs/dbraw/zinc/46/85/16/478468516.db2.gz FFQWPQAALQIPHH-JOYOIKCWSA-N 1 0 345.321 2.778 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597701930 478470632 /nfs/dbraw/zinc/47/06/32/478470632.db2.gz XMPVUUFRMXGSKO-RISCZKNCSA-N 1 0 337.445 2.871 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597701969 478471085 /nfs/dbraw/zinc/47/10/85/478471085.db2.gz YKEWQACBXCKWKG-SKDRFNHKSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597701968 478471120 /nfs/dbraw/zinc/47/11/20/478471120.db2.gz YKEWQACBXCKWKG-JOYOIKCWSA-N 1 0 345.321 2.778 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628713 478473305 /nfs/dbraw/zinc/47/33/05/478473305.db2.gz CILGVEZCGMQOAG-UHFFFAOYSA-N 1 0 331.416 2.662 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597714267 478475339 /nfs/dbraw/zinc/47/53/39/478475339.db2.gz HPECERTXUIMYJX-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000597713671 478475894 /nfs/dbraw/zinc/47/58/94/478475894.db2.gz FKSVXRGAUZOHAE-GOSISDBHSA-N 1 0 343.383 2.899 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491236184 478481443 /nfs/dbraw/zinc/48/14/43/478481443.db2.gz GKAGSQIPDUCKDY-HJWRWDBZSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581997759 478486945 /nfs/dbraw/zinc/48/69/45/478486945.db2.gz ZBAXTXQBCQRZEA-UHFFFAOYSA-N 1 0 333.310 2.861 20 5 EFBDRO Cc1c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724100 478488580 /nfs/dbraw/zinc/48/85/80/478488580.db2.gz FMCKKTMGOMIXNN-STQMWFEESA-N 1 0 331.338 2.862 20 5 EFBDRO Cc1c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600724099 478488800 /nfs/dbraw/zinc/48/88/00/478488800.db2.gz FMCKKTMGOMIXNN-QWHCGFSZSA-N 1 0 331.338 2.862 20 5 EFBDRO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727017 478490284 /nfs/dbraw/zinc/49/02/84/478490284.db2.gz NVMQZXQCKXOMHH-NEPJUHHUSA-N 1 0 347.337 2.563 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1=O ZINC000591243849 478498105 /nfs/dbraw/zinc/49/81/05/478498105.db2.gz CMVKZWPYGINVCY-OLZOCXBDSA-N 1 0 337.445 2.581 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491302642 478501927 /nfs/dbraw/zinc/50/19/27/478501927.db2.gz BUVOUSVGLZZDDR-KTKRTIGZSA-N 1 0 331.416 2.941 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000594716175 478509421 /nfs/dbraw/zinc/50/94/21/478509421.db2.gz LFZQTGHUVMWTRX-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO COC(=O)c1ccc(-c2cccc([C@H]3C[NH2+]CCO3)c2)c([N+](=O)[O-])c1 ZINC000600784483 478519196 /nfs/dbraw/zinc/51/91/96/478519196.db2.gz KLCPVQLUMMMWNB-QGZVFWFLSA-N 1 0 342.351 2.709 20 5 EFBDRO COC(=O)c1ccc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)c([N+](=O)[O-])c1 ZINC000600787101 478520308 /nfs/dbraw/zinc/52/03/08/478520308.db2.gz XPCFDTTUVHHKNF-QGZVFWFLSA-N 1 0 342.351 2.709 20 5 EFBDRO COC(=O)c1cc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1 ZINC000600788178 478520529 /nfs/dbraw/zinc/52/05/29/478520529.db2.gz JXJPKGUXTZGNPD-KRWDZBQOSA-N 1 0 342.351 2.709 20 5 EFBDRO Cc1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC000600790627 478524430 /nfs/dbraw/zinc/52/44/30/478524430.db2.gz LXOHMTPKRACLGR-UHFFFAOYSA-N 1 0 325.368 2.616 20 5 EFBDRO C[C@@H]1CN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000591347978 478531376 /nfs/dbraw/zinc/53/13/76/478531376.db2.gz NVTPOCZPXXFENL-RDTXWAMCSA-N 1 0 333.432 2.673 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348297 478531405 /nfs/dbraw/zinc/53/14/05/478531405.db2.gz OBXBMNIMLOSMGD-MRXNPFEDSA-N 1 0 329.404 2.806 20 5 EFBDRO C[C@H]1CN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000591347977 478531492 /nfs/dbraw/zinc/53/14/92/478531492.db2.gz NVTPOCZPXXFENL-KSSFIOAISA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591354613 478534900 /nfs/dbraw/zinc/53/49/00/478534900.db2.gz CQWPMKRBRFVNDK-NFAWXSAZSA-N 1 0 334.420 2.733 20 5 EFBDRO C[N@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000600827100 478536335 /nfs/dbraw/zinc/53/63/35/478536335.db2.gz SBMLZHUKECEDQN-OAHLLOKOSA-N 1 0 331.416 2.785 20 5 EFBDRO C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220435 478540891 /nfs/dbraw/zinc/54/08/91/478540891.db2.gz UBEUYLVRQYPGHF-MLGOLLRUSA-N 1 0 340.387 2.751 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597859492 478546472 /nfs/dbraw/zinc/54/64/72/478546472.db2.gz DZHYFIIIGKSXJG-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OCCO)cc1 ZINC000571225066 478547591 /nfs/dbraw/zinc/54/75/91/478547591.db2.gz RYGKGJHLZQTJCY-KRWDZBQOSA-N 1 0 328.368 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000591438606 478552810 /nfs/dbraw/zinc/55/28/10/478552810.db2.gz NUUMQOKONNRRDK-SWLSCSKDSA-N 1 0 342.374 2.984 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1-c1ccc(F)cc1 ZINC000591438600 478553039 /nfs/dbraw/zinc/55/30/39/478553039.db2.gz NUUMQOKONNRRDK-DOMZBBRYSA-N 1 0 342.374 2.984 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000591443344 478553449 /nfs/dbraw/zinc/55/34/49/478553449.db2.gz ZVTUIZKCHHPUTJ-UONOGXRCSA-N 1 0 341.415 2.754 20 5 EFBDRO O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447017 478555396 /nfs/dbraw/zinc/55/53/96/478555396.db2.gz WPALINLMSOQWFZ-ZBFHGGJFSA-N 1 0 346.431 2.530 20 5 EFBDRO CC(C)Oc1nc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000563428075 478557732 /nfs/dbraw/zinc/55/77/32/478557732.db2.gz SYZJOXUCJCDWOI-UHFFFAOYSA-N 1 0 334.420 2.842 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491492143 478564488 /nfs/dbraw/zinc/56/44/88/478564488.db2.gz LAYBMLGDHHCWEE-XQRVVYSFSA-N 1 0 349.406 2.984 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491491073 478564845 /nfs/dbraw/zinc/56/48/45/478564845.db2.gz FMVXBRICAOWHMH-SREVYHEPSA-N 1 0 331.416 2.845 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491490473 478564872 /nfs/dbraw/zinc/56/48/72/478564872.db2.gz BCQUFQZNZAFYST-XQRVVYSFSA-N 1 0 335.379 2.547 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000541597044 478572598 /nfs/dbraw/zinc/57/25/98/478572598.db2.gz KQXFGEIHHPVPFJ-IINYFYTJSA-N 1 0 343.811 2.836 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597921823 478575697 /nfs/dbraw/zinc/57/56/97/478575697.db2.gz CALCXYBMOBYZMV-GFCCVEGCSA-N 1 0 331.372 2.944 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597921824 478576327 /nfs/dbraw/zinc/57/63/27/478576327.db2.gz CALCXYBMOBYZMV-LBPRGKRZSA-N 1 0 331.372 2.944 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000597925004 478578946 /nfs/dbraw/zinc/57/89/46/478578946.db2.gz MDBZQTMGDBZNNC-NSHDSACASA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597925904 478580150 /nfs/dbraw/zinc/58/01/50/478580150.db2.gz XZVLXXFYRKWYCO-CYBMUJFWSA-N 1 0 344.415 2.608 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000597926251 478581255 /nfs/dbraw/zinc/58/12/55/478581255.db2.gz WSOASHLMFZHBHJ-HNNXBMFYSA-N 1 0 348.447 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)c1 ZINC000591581212 478584497 /nfs/dbraw/zinc/58/44/97/478584497.db2.gz NYADWPFSWVAZNB-BQFCYCMXSA-N 1 0 329.375 2.974 20 5 EFBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741820 478584659 /nfs/dbraw/zinc/58/46/59/478584659.db2.gz ZDBVJGRJEDURSJ-CVEARBPZSA-N 1 0 340.445 2.783 20 5 EFBDRO Cc1c(Br)c(N2CCCCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000600959441 478586632 /nfs/dbraw/zinc/58/66/32/478586632.db2.gz WWHKYCYDXQGZDU-SNVBAGLBSA-N 1 0 343.225 2.768 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000600964510 478587696 /nfs/dbraw/zinc/58/76/96/478587696.db2.gz CEYGIHDYPNCELC-CQSZACIVSA-N 1 0 345.374 2.637 20 5 EFBDRO Cc1c(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000571415483 478592931 /nfs/dbraw/zinc/59/29/31/478592931.db2.gz TVPDMAVSBKOVEH-UHFFFAOYSA-N 1 0 340.383 2.871 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000600991632 478602377 /nfs/dbraw/zinc/60/23/77/478602377.db2.gz HQBHCGQNKWAUBS-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO CSCC1(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594962116 478606495 /nfs/dbraw/zinc/60/64/95/478606495.db2.gz BGZLVUIRCDUZNM-UHFFFAOYSA-N 1 0 338.429 2.989 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601005729 478609131 /nfs/dbraw/zinc/60/91/31/478609131.db2.gz JBVKJWRNHGCCLG-GFCCVEGCSA-N 1 0 325.384 2.974 20 5 EFBDRO C[C@@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991651 478609244 /nfs/dbraw/zinc/60/92/44/478609244.db2.gz GGMFGPVIMMTBAX-JTQLQIEISA-N 1 0 345.852 2.797 20 5 EFBDRO C[C@H](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000597991989 478610282 /nfs/dbraw/zinc/61/02/82/478610282.db2.gz IBCJNMXWPDLYQC-LLVKDONJSA-N 1 0 348.428 2.788 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601014021 478614550 /nfs/dbraw/zinc/61/45/50/478614550.db2.gz SQNAMWLLYBAPEI-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1Cc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591729068 478614530 /nfs/dbraw/zinc/61/45/30/478614530.db2.gz GBLORJNWOVGNHD-AWEZNQCLSA-N 1 0 325.368 2.853 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591734503 478615948 /nfs/dbraw/zinc/61/59/48/478615948.db2.gz HPFGAFUNRSYEFN-DOTOQJQBSA-N 1 0 345.399 2.861 20 5 EFBDRO CC(C)(NC(=O)C[C@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000563700024 478618554 /nfs/dbraw/zinc/61/85/54/478618554.db2.gz HNCDKTMAFBVQDJ-MRXNPFEDSA-N 1 0 341.411 2.906 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000594993760 478620021 /nfs/dbraw/zinc/62/00/21/478620021.db2.gz PZJQJOMDQXCALX-IQCBXXCUSA-N 1 0 331.416 2.845 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594993367 478621235 /nfs/dbraw/zinc/62/12/35/478621235.db2.gz PQJJHQCNZJFPPD-CYBMUJFWSA-N 1 0 349.431 2.730 20 5 EFBDRO CCc1ccc([C@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000541985064 478621900 /nfs/dbraw/zinc/62/19/00/478621900.db2.gz REMOZPSYBPPHFJ-INIZCTEOSA-N 1 0 330.384 2.859 20 5 EFBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000594997323 478623976 /nfs/dbraw/zinc/62/39/76/478623976.db2.gz VDUUAVWMOOKAPZ-GNJLHFKMSA-N 1 0 334.416 2.765 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](OC)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000594998694 478624304 /nfs/dbraw/zinc/62/43/04/478624304.db2.gz ZFGKIRGVZZRJAP-KRWDZBQOSA-N 1 0 338.404 2.994 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000595005104 478625608 /nfs/dbraw/zinc/62/56/08/478625608.db2.gz CSHUSIXIBAMPFP-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO O=C(CC[NH2+][C@H]1COCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591770823 478626494 /nfs/dbraw/zinc/62/64/94/478626494.db2.gz LCSFSABQLVKEQM-INIZCTEOSA-N 1 0 341.367 2.785 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000595034415 478635548 /nfs/dbraw/zinc/63/55/48/478635548.db2.gz XVMDSRDINHPBOS-NSHDSACASA-N 1 0 348.428 2.799 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595040090 478638035 /nfs/dbraw/zinc/63/80/35/478638035.db2.gz GTKXCYOMQQUXNH-GFCCVEGCSA-N 1 0 335.404 2.560 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000595041369 478638886 /nfs/dbraw/zinc/63/88/86/478638886.db2.gz KOBDQLQRECTMGT-MLGOLLRUSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000595044160 478639292 /nfs/dbraw/zinc/63/92/92/478639292.db2.gz IXWGBIUHSPKMNQ-WDEREUQCSA-N 1 0 329.347 2.593 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000595044140 478639344 /nfs/dbraw/zinc/63/93/44/478639344.db2.gz IXWGBIUHSPKMNQ-GHMZBOCLSA-N 1 0 329.347 2.593 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068833 478639403 /nfs/dbraw/zinc/63/94/03/478639403.db2.gz IWJYCHQXRPITNU-GOSISDBHSA-N 1 0 328.368 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000601069301 478640084 /nfs/dbraw/zinc/64/00/84/478640084.db2.gz LFUPWFMJYZKVRA-SFHVURJKSA-N 1 0 328.368 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1OC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601071237 478640730 /nfs/dbraw/zinc/64/07/30/478640730.db2.gz YLCSTHPMRFAIJU-GOSISDBHSA-N 1 0 346.358 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000595046657 478640738 /nfs/dbraw/zinc/64/07/38/478640738.db2.gz CUWPEYXJCRAPHM-JSGCOSHPSA-N 1 0 335.404 2.513 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056857 478643491 /nfs/dbraw/zinc/64/34/91/478643491.db2.gz RTOFWJFIYGILJJ-HIFRSBDPSA-N 1 0 348.447 2.774 20 5 EFBDRO CCn1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000595068323 478649180 /nfs/dbraw/zinc/64/91/80/478649180.db2.gz JRFJKWZJKNGGPU-XJKSGUPXSA-N 1 0 329.404 2.707 20 5 EFBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595076018 478652856 /nfs/dbraw/zinc/65/28/56/478652856.db2.gz COWLPZTYGHJAMA-CYBMUJFWSA-N 1 0 340.445 2.993 20 5 EFBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000595095644 478657534 /nfs/dbraw/zinc/65/75/34/478657534.db2.gz SCVLXYAPDJUTEU-CRAIPNDOSA-N 1 0 334.416 2.739 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595099918 478658833 /nfs/dbraw/zinc/65/88/33/478658833.db2.gz GPTBLHYMFNPBEE-YJBOKZPZSA-N 1 0 347.459 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595098587 478658927 /nfs/dbraw/zinc/65/89/27/478658927.db2.gz BZCBWMCCEMFRHZ-QWHCGFSZSA-N 1 0 349.431 2.901 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595099917 478659899 /nfs/dbraw/zinc/65/98/99/478659899.db2.gz GPTBLHYMFNPBEE-QAPCUYQASA-N 1 0 347.459 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595100798 478660575 /nfs/dbraw/zinc/66/05/75/478660575.db2.gz JAOFEKWVYUNTRG-BBRMVZONSA-N 1 0 349.431 2.507 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595106586 478662415 /nfs/dbraw/zinc/66/24/15/478662415.db2.gz VOXMCGRVZYFKQW-YOEHRIQHSA-N 1 0 333.432 2.807 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595106584 478662557 /nfs/dbraw/zinc/66/25/57/478662557.db2.gz VOXMCGRVZYFKQW-RHSMWYFYSA-N 1 0 333.432 2.807 20 5 EFBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CCCCC1 ZINC000582719994 478667011 /nfs/dbraw/zinc/66/70/11/478667011.db2.gz UDACFJGVBNTXJF-UHFFFAOYSA-N 1 0 346.343 2.534 20 5 EFBDRO CCOC(=O)Cc1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000591889188 478677800 /nfs/dbraw/zinc/67/78/00/478677800.db2.gz KNJIHOJIFVCKLB-UHFFFAOYSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601154164 478692388 /nfs/dbraw/zinc/69/23/88/478692388.db2.gz ZBEQVKQKNYFJME-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223317 478692601 /nfs/dbraw/zinc/69/26/01/478692601.db2.gz ZWZVFXXKDOYKCJ-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc2nccc(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000601154316 478692988 /nfs/dbraw/zinc/69/29/88/478692988.db2.gz GTKIIAHQWUEZCT-UHFFFAOYSA-N 1 0 326.400 2.851 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598194003 478698933 /nfs/dbraw/zinc/69/89/33/478698933.db2.gz CXFQDQOMRUVSHV-OAHLLOKOSA-N 1 0 343.383 2.577 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595257920 478705083 /nfs/dbraw/zinc/70/50/83/478705083.db2.gz COCWPVPGGDVOHP-GDBMZVCRSA-N 1 0 348.447 2.763 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258963 478705749 /nfs/dbraw/zinc/70/57/49/478705749.db2.gz XGUXUOSGSXZDFE-RHSMWYFYSA-N 1 0 333.432 2.893 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595262753 478706325 /nfs/dbraw/zinc/70/63/25/478706325.db2.gz CMBRFNFMRLBQDD-MRXNPFEDSA-N 1 0 346.431 2.516 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218506 478709580 /nfs/dbraw/zinc/70/95/80/478709580.db2.gz GRLMXAZEAALZQK-OAHLLOKOSA-N 1 0 331.416 2.661 20 5 EFBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601181928 478710100 /nfs/dbraw/zinc/71/01/00/478710100.db2.gz OXKIQJISYJZPID-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220033 478711236 /nfs/dbraw/zinc/71/12/36/478711236.db2.gz NTWGZDBHZGEXFY-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491861575 478712543 /nfs/dbraw/zinc/71/25/43/478712543.db2.gz VIWJQBYNHDKIMA-WGCVJFFOSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564316105 478720640 /nfs/dbraw/zinc/72/06/40/478720640.db2.gz ZNZIWJAFLBKBAK-QRTARXTBSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564316100 478720726 /nfs/dbraw/zinc/72/07/26/478720726.db2.gz ZNZIWJAFLBKBAK-JLJPHGGASA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564316103 478720883 /nfs/dbraw/zinc/72/08/83/478720883.db2.gz ZNZIWJAFLBKBAK-LXZKKBNFSA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000564320040 478723106 /nfs/dbraw/zinc/72/31/06/478723106.db2.gz UTKHIOAASGTEPX-ARFHVFGLSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000601211047 478724933 /nfs/dbraw/zinc/72/49/33/478724933.db2.gz VRHJJUQSCDPTTC-HIFRSBDPSA-N 1 0 342.399 2.875 20 5 EFBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000564338454 478727280 /nfs/dbraw/zinc/72/72/80/478727280.db2.gz VNPCIMPJIWTSHF-LJQANCHMSA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598259983 478729323 /nfs/dbraw/zinc/72/93/23/478729323.db2.gz HXPMLVVHIPCWEL-HNNXBMFYSA-N 1 0 349.431 2.519 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598261551 478730859 /nfs/dbraw/zinc/73/08/59/478730859.db2.gz GZYXQENHRWZWAC-OAHLLOKOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598264744 478731617 /nfs/dbraw/zinc/73/16/17/478731617.db2.gz QLIWQMVKNDAIOR-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598266427 478733541 /nfs/dbraw/zinc/73/35/41/478733541.db2.gz XVQWLMHFYWHIOI-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598265918 478733585 /nfs/dbraw/zinc/73/35/85/478733585.db2.gz VZLWESDLAZPYSE-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1noc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595335597 478735836 /nfs/dbraw/zinc/73/58/36/478735836.db2.gz UIORXQLOQGSXCQ-INIZCTEOSA-N 1 0 344.415 2.845 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000491920544 478738616 /nfs/dbraw/zinc/73/86/16/478738616.db2.gz VASGKLXJWFJQHC-GFCCVEGCSA-N 1 0 336.392 2.694 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000564446480 478744711 /nfs/dbraw/zinc/74/47/11/478744711.db2.gz MUHUXLYMVFTZJE-HNNXBMFYSA-N 1 0 332.404 2.859 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491938518 478747090 /nfs/dbraw/zinc/74/70/90/478747090.db2.gz LFGFNGPPXHLCPB-CGMDNHBQSA-N 1 0 347.390 2.832 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000583032599 478748750 /nfs/dbraw/zinc/74/87/50/478748750.db2.gz OHXFBTZHDNCBMW-UHFFFAOYSA-N 1 0 344.415 2.562 20 5 EFBDRO Cc1cccc(NCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000491946223 478750185 /nfs/dbraw/zinc/75/01/85/478750185.db2.gz UNQUSUZZRMMFKU-HJWRWDBZSA-N 1 0 326.356 2.540 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccc(O)cc3)CC2)c1 ZINC000601258117 478750780 /nfs/dbraw/zinc/75/07/80/478750780.db2.gz XLZGGXVUGCMYTP-UHFFFAOYSA-N 1 0 343.383 2.631 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000498208120 478754251 /nfs/dbraw/zinc/75/42/51/478754251.db2.gz ODYXHBOZPRGHNQ-SJLPKXTDSA-N 1 0 333.432 2.941 20 5 EFBDRO Cc1noc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595394602 478761559 /nfs/dbraw/zinc/76/15/59/478761559.db2.gz DPZSUCNYBRYVKC-UHFFFAOYSA-N 1 0 336.436 2.979 20 5 EFBDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295647 478771376 /nfs/dbraw/zinc/77/13/76/478771376.db2.gz ZEKHCRXWXWHIPC-CABZTGNLSA-N 1 0 329.282 2.641 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000598343006 478776767 /nfs/dbraw/zinc/77/67/67/478776767.db2.gz RGWOQEQRZJPXON-AWEZNQCLSA-N 1 0 335.404 2.596 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000492023010 478785390 /nfs/dbraw/zinc/78/53/90/478785390.db2.gz XQBODXZXWYXWAX-ALCCZGGFSA-N 1 0 347.390 2.880 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)C3CCCCC3)o2)cc1 ZINC000543838887 478791249 /nfs/dbraw/zinc/79/12/49/478791249.db2.gz IISLKWAADSKAHV-HNNXBMFYSA-N 1 0 346.387 2.676 20 5 EFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601335534 478791807 /nfs/dbraw/zinc/79/18/07/478791807.db2.gz OIECQKGUUWFEPL-AWEZNQCLSA-N 1 0 327.384 2.611 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601354356 478799457 /nfs/dbraw/zinc/79/94/57/478799457.db2.gz ZBCIUDVAKXKUHP-CYBMUJFWSA-N 1 0 337.395 2.832 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000592160399 478806466 /nfs/dbraw/zinc/80/64/66/478806466.db2.gz JTDGEMYFRIKVIN-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000544144169 478811703 /nfs/dbraw/zinc/81/17/03/478811703.db2.gz ZQOYGIQIQMVASS-HOCLYGCPSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572354136 478813697 /nfs/dbraw/zinc/81/36/97/478813697.db2.gz KEDVJDZIJGKDDR-KBPBESRZSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572354138 478813744 /nfs/dbraw/zinc/81/37/44/478813744.db2.gz KEDVJDZIJGKDDR-UONOGXRCSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCOCC2 ZINC000592182957 478814844 /nfs/dbraw/zinc/81/48/44/478814844.db2.gz DUAYLRPDHMLBLZ-LBPRGKRZSA-N 1 0 330.388 2.862 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592182171 478815491 /nfs/dbraw/zinc/81/54/91/478815491.db2.gz LAPQEULJILIUTJ-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183594 478816406 /nfs/dbraw/zinc/81/64/06/478816406.db2.gz URXNCEMUCUPZKU-KGLIPLIRSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183592 478817643 /nfs/dbraw/zinc/81/76/43/478817643.db2.gz URXNCEMUCUPZKU-KBPBESRZSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595493554 478819556 /nfs/dbraw/zinc/81/95/56/478819556.db2.gz SHQGAQJULHJKNV-OWCLPIDISA-N 1 0 343.383 2.896 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595505161 478823559 /nfs/dbraw/zinc/82/35/59/478823559.db2.gz QDNOCAKJQGVEIV-MRXNPFEDSA-N 1 0 325.359 2.791 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592203113 478824770 /nfs/dbraw/zinc/82/47/70/478824770.db2.gz JJPUHFZVBWAYCT-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592203664 478825063 /nfs/dbraw/zinc/82/50/63/478825063.db2.gz MWGLCORPWNLQDO-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508997 478827780 /nfs/dbraw/zinc/82/77/80/478827780.db2.gz NDCLGWZFJKAJTN-UHFFFAOYSA-N 1 0 332.379 2.693 20 5 EFBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845900 478828204 /nfs/dbraw/zinc/82/82/04/478828204.db2.gz XRQQEXFUAQOCAT-SJORKVTESA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592214313 478828859 /nfs/dbraw/zinc/82/88/59/478828859.db2.gz IQJLDUZACVHAOA-IUCAKERBSA-N 1 0 348.325 2.539 20 5 EFBDRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564854904 478832202 /nfs/dbraw/zinc/83/22/02/478832202.db2.gz PXGURVZIXIYNBV-UHFFFAOYSA-N 1 0 348.424 2.509 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533896 478837479 /nfs/dbraw/zinc/83/74/79/478837479.db2.gz PRBFSHPQCLDUHV-UHFFFAOYSA-N 1 0 347.415 2.611 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595534577 478838559 /nfs/dbraw/zinc/83/85/59/478838559.db2.gz COVYXMGVEGDNAL-GFCCVEGCSA-N 1 0 325.384 2.659 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000595535942 478838735 /nfs/dbraw/zinc/83/87/35/478838735.db2.gz KEKSLDAHOMCING-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592246857 478839867 /nfs/dbraw/zinc/83/98/67/478839867.db2.gz MADLFPALIFQHOZ-FZMZJTMJSA-N 1 0 335.429 2.531 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592254090 478842224 /nfs/dbraw/zinc/84/22/24/478842224.db2.gz SWXGARXSIHINKK-HOTGVXAUSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253237 478842427 /nfs/dbraw/zinc/84/24/27/478842427.db2.gz BUFGMDKRCXXZFG-JKSUJKDBSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254355 478842654 /nfs/dbraw/zinc/84/26/54/478842654.db2.gz WRYAWKPITLMBAX-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592255830 478843506 /nfs/dbraw/zinc/84/35/06/478843506.db2.gz UDRJEIYNYRIGFZ-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592331354 478860871 /nfs/dbraw/zinc/86/08/71/478860871.db2.gz IWQUCNSMFQOXGZ-JMSVASOKSA-N 1 0 337.445 2.661 20 5 EFBDRO O=C(NC[C@@H]1CCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000598509137 478870216 /nfs/dbraw/zinc/87/02/16/478870216.db2.gz IZEQUKJPZUWYKG-KRWDZBQOSA-N 1 0 325.368 2.599 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592374548 478872029 /nfs/dbraw/zinc/87/20/29/478872029.db2.gz KTDSOSLGJTWHPM-HNNXBMFYSA-N 1 0 333.413 2.841 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000572585803 478872666 /nfs/dbraw/zinc/87/26/66/478872666.db2.gz VKEYKSSYGDAFDO-WBVHZDCISA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572592158 478873767 /nfs/dbraw/zinc/87/37/67/478873767.db2.gz DEDMRGKTFAZEQS-JSGCOSHPSA-N 1 0 348.428 2.753 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000595595168 478874101 /nfs/dbraw/zinc/87/41/01/478874101.db2.gz HQIUVPQIOMWCFR-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000595596165 478876363 /nfs/dbraw/zinc/87/63/63/478876363.db2.gz KQSFOXFIFWEZCA-KRWDZBQOSA-N 1 0 334.416 2.561 20 5 EFBDRO CN(C)c1ccccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505604551 478876411 /nfs/dbraw/zinc/87/64/11/478876411.db2.gz RQJICVJFZGISIH-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CO)cc2)n1 ZINC000592392864 478881410 /nfs/dbraw/zinc/88/14/10/478881410.db2.gz AWNREMNQFXIUNP-JKSUJKDBSA-N 1 0 330.388 2.557 20 5 EFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592396780 478883248 /nfs/dbraw/zinc/88/32/48/478883248.db2.gz KCMDABYVURJNRF-GUTXKFCHSA-N 1 0 337.420 2.699 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492233003 478884659 /nfs/dbraw/zinc/88/46/59/478884659.db2.gz ROFYMEXZDTVRGC-QAOXIVLQSA-N 1 0 347.390 2.690 20 5 EFBDRO COc1cc(CN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000592431576 478893719 /nfs/dbraw/zinc/89/37/19/478893719.db2.gz KQLOMYNGMBOIHK-UHFFFAOYSA-N 1 0 345.346 2.518 20 5 EFBDRO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 ZINC000592432463 478893819 /nfs/dbraw/zinc/89/38/19/478893819.db2.gz KEWKVBKLJXWTAZ-CYBMUJFWSA-N 1 0 329.347 2.626 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598560804 478894902 /nfs/dbraw/zinc/89/49/02/478894902.db2.gz NMMJXWKLHWLRDB-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598562073 478896314 /nfs/dbraw/zinc/89/63/14/478896314.db2.gz SKJXYQHQQHLMST-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO CNc1c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000545199673 478896330 /nfs/dbraw/zinc/89/63/30/478896330.db2.gz KJZPLCZMMNHRDP-UHFFFAOYSA-N 1 0 348.447 2.829 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000545201456 478897443 /nfs/dbraw/zinc/89/74/43/478897443.db2.gz BQNDMOUJIPNAES-GOEBONIOSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598571000 478902706 /nfs/dbraw/zinc/90/27/06/478902706.db2.gz AZGXORUHPSAPDE-DOMZBBRYSA-N 1 0 337.445 2.532 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598571002 478902801 /nfs/dbraw/zinc/90/28/01/478902801.db2.gz AZGXORUHPSAPDE-WFASDCNBSA-N 1 0 337.445 2.532 20 5 EFBDRO CN(CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH+]cc1 ZINC000545245764 478907062 /nfs/dbraw/zinc/90/70/62/478907062.db2.gz ZHCHNNVXAXQVBI-UHFFFAOYSA-N 1 0 348.790 2.786 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2c[nH+]ccc2NC(CC)CC)c1[N+](=O)[O-] ZINC000583703321 478921520 /nfs/dbraw/zinc/92/15/20/478921520.db2.gz UDBIKTZBNHNHPB-UHFFFAOYSA-N 1 0 346.391 2.550 20 5 EFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672416 478926620 /nfs/dbraw/zinc/92/66/20/478926620.db2.gz IZTLNBCISFLTME-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595673137 478927741 /nfs/dbraw/zinc/92/77/41/478927741.db2.gz KNEQYQGCQUVPGI-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492323017 478929521 /nfs/dbraw/zinc/92/95/21/478929521.db2.gz UGRJVIMXOXOWCF-QIAWRQBBSA-N 1 0 331.416 2.797 20 5 EFBDRO CCOC(=O)c1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000583784957 478939671 /nfs/dbraw/zinc/93/96/71/478939671.db2.gz FHDXADKLTPIWFM-DGCLKSJQSA-N 1 0 333.388 2.809 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000583794059 478941661 /nfs/dbraw/zinc/94/16/61/478941661.db2.gz JZSAKVAIUCGZOA-XJKSGUPXSA-N 1 0 338.429 2.557 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592567394 478942955 /nfs/dbraw/zinc/94/29/55/478942955.db2.gz BLEYJSCAQNBINX-AWEZNQCLSA-N 1 0 331.416 2.663 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000509029468 478946333 /nfs/dbraw/zinc/94/63/33/478946333.db2.gz GERQYSDSNJQTRH-INIZCTEOSA-N 1 0 343.431 2.882 20 5 EFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)CC(C)(C)C1 ZINC000595703317 478946272 /nfs/dbraw/zinc/94/62/72/478946272.db2.gz CGKHEEPWOKTDLU-HNNXBMFYSA-N 1 0 338.452 2.689 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595703636 478948006 /nfs/dbraw/zinc/94/80/06/478948006.db2.gz UUBWNMLAKHFDHB-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670621 478955524 /nfs/dbraw/zinc/95/55/24/478955524.db2.gz VKSQXJNTAVOKCZ-SCLBCKFNSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227073 478957173 /nfs/dbraw/zinc/95/71/73/478957173.db2.gz VAFUGCGZJJJMOX-DZKIICNBSA-N 1 0 348.447 2.944 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565373407 478992510 /nfs/dbraw/zinc/99/25/10/478992510.db2.gz VBCZCESZNTWYMC-VDNIUXDYSA-N 1 0 345.443 2.795 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000565420357 479003475 /nfs/dbraw/zinc/00/34/75/479003475.db2.gz FMUQSJSULUSXOK-QGZVFWFLSA-N 1 0 347.415 2.733 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000546103320 479006311 /nfs/dbraw/zinc/00/63/11/479006311.db2.gz MYXAWIRNTPUQFK-HNNXBMFYSA-N 1 0 346.330 2.552 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000584151314 479028398 /nfs/dbraw/zinc/02/83/98/479028398.db2.gz YAGMZEDULVHRQP-AWEZNQCLSA-N 1 0 341.367 2.846 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000514601092 479032435 /nfs/dbraw/zinc/03/24/35/479032435.db2.gz ZIRNZHZNUNUZBO-HOCLYGCPSA-N 1 0 347.415 2.814 20 5 EFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595856760 479036872 /nfs/dbraw/zinc/03/68/72/479036872.db2.gz DUEIGFQKHDDGAT-YYDPCCRISA-N 1 0 329.400 2.963 20 5 EFBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)CO ZINC000595875112 479044108 /nfs/dbraw/zinc/04/41/08/479044108.db2.gz PLZXCXRRFUIHFI-YVEFUNNKSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880410 479047854 /nfs/dbraw/zinc/04/78/54/479047854.db2.gz YSQAHWGSNLPEKA-PSTGCABASA-N 1 0 346.387 2.656 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595880409 479048122 /nfs/dbraw/zinc/04/81/22/479048122.db2.gz YSQAHWGSNLPEKA-JKDFXYPNSA-N 1 0 346.387 2.656 20 5 EFBDRO CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@H+](C)C1 ZINC000592829257 479062481 /nfs/dbraw/zinc/06/24/81/479062481.db2.gz MGCAZIDDVXRTDZ-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828133 479062597 /nfs/dbraw/zinc/06/25/97/479062597.db2.gz CWPIJPXQARFJPZ-INIZCTEOSA-N 1 0 347.415 2.500 20 5 EFBDRO CCCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592831476 479065011 /nfs/dbraw/zinc/06/50/11/479065011.db2.gz MVAVEEQHORMHOL-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO CCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000592831498 479065229 /nfs/dbraw/zinc/06/52/29/479065229.db2.gz NOQPCAVVHTZZHQ-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595912374 479065407 /nfs/dbraw/zinc/06/54/07/479065407.db2.gz KRPMCUVBZIGULT-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592833330 479065984 /nfs/dbraw/zinc/06/59/84/479065984.db2.gz YROQMXUAFMGPDD-AWEZNQCLSA-N 1 0 337.445 2.630 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000584271633 479071580 /nfs/dbraw/zinc/07/15/80/479071580.db2.gz COPZDWYQMGTPJL-CABCVRRESA-N 1 0 343.431 2.956 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000573455663 479072621 /nfs/dbraw/zinc/07/26/21/479072621.db2.gz MILBMEYEFXNXHA-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930878 479079491 /nfs/dbraw/zinc/07/94/91/479079491.db2.gz AOGDTLKRSCLXSX-YGRLFVJLSA-N 1 0 346.412 2.816 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000573503745 479082202 /nfs/dbraw/zinc/08/22/02/479082202.db2.gz DWPVLHUHPMAHBS-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915800 479084760 /nfs/dbraw/zinc/08/47/60/479084760.db2.gz PEJAAAQFGTUOHP-SNVBAGLBSA-N 1 0 326.784 2.902 20 5 EFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915799 479084935 /nfs/dbraw/zinc/08/49/35/479084935.db2.gz PEJAAAQFGTUOHP-JTQLQIEISA-N 1 0 326.784 2.902 20 5 EFBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915428 479085125 /nfs/dbraw/zinc/08/51/25/479085125.db2.gz LTTAGAMLXVPHIX-VIFPVBQESA-N 1 0 326.784 2.839 20 5 EFBDRO C[NH+]1CCC(n2ncc3cc(-c4ccc([N+](=O)[O-])nc4)cnc32)CC1 ZINC000598930632 479089306 /nfs/dbraw/zinc/08/93/06/479089306.db2.gz ZBAFOYKYDURYOC-UHFFFAOYSA-N 1 0 338.371 2.668 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000584325679 479091185 /nfs/dbraw/zinc/09/11/85/479091185.db2.gz OIXMMKDYMOHHRU-GJZGRUSLSA-N 1 0 333.432 2.889 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000493664302 479105941 /nfs/dbraw/zinc/10/59/41/479105941.db2.gz ZIYSHCKOVANRNU-BAQGIRSFSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601983228 479110355 /nfs/dbraw/zinc/11/03/55/479110355.db2.gz LZNYOHOLEWMFKN-HNNXBMFYSA-N 1 0 327.388 2.534 20 5 EFBDRO NC(=O)c1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596055595 479111196 /nfs/dbraw/zinc/11/11/96/479111196.db2.gz SERXCEJATDUMII-OAHLLOKOSA-N 1 0 344.371 2.536 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000573667051 479115435 /nfs/dbraw/zinc/11/54/35/479115435.db2.gz XLDRCGZCPIBRBA-UHFFFAOYSA-N 1 0 343.431 2.921 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000573664534 479115475 /nfs/dbraw/zinc/11/54/75/479115475.db2.gz FCDABZKMQZGEFX-LSDHHAIUSA-N 1 0 333.432 2.841 20 5 EFBDRO Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596069704 479120056 /nfs/dbraw/zinc/12/00/56/479120056.db2.gz ISHHPSIMSFRDCR-CQSZACIVSA-N 1 0 326.466 2.649 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593003604 479120556 /nfs/dbraw/zinc/12/05/56/479120556.db2.gz TVLAFTYGUDMNIQ-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO O=C1CCCN1CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000573690110 479122584 /nfs/dbraw/zinc/12/25/84/479122584.db2.gz RYMQDTGSZNFWSS-UHFFFAOYSA-N 1 0 329.356 2.567 20 5 EFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCC(C)CC1 ZINC000596076801 479123147 /nfs/dbraw/zinc/12/31/47/479123147.db2.gz PPMZDUGWPHILJT-KRWDZBQOSA-N 1 0 348.447 2.862 20 5 EFBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000596075725 479123422 /nfs/dbraw/zinc/12/34/22/479123422.db2.gz PDEJKEMJVHGGQE-LBPRGKRZSA-N 1 0 328.372 2.554 20 5 EFBDRO COCC[N@H+](C)CCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596075174 479123574 /nfs/dbraw/zinc/12/35/74/479123574.db2.gz YKQFRURFYOBAAI-UHFFFAOYSA-N 1 0 335.326 2.994 20 5 EFBDRO O=c1[nH]ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596079410 479126789 /nfs/dbraw/zinc/12/67/89/479126789.db2.gz QJWPLYIJPYHVNP-CQSZACIVSA-N 1 0 328.372 2.772 20 5 EFBDRO COCC[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000515175488 479127610 /nfs/dbraw/zinc/12/76/10/479127610.db2.gz PIRVEGOZVYDVSX-KRWDZBQOSA-N 1 0 347.371 2.535 20 5 EFBDRO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)([NH+](C)C)C1 ZINC000596087016 479130757 /nfs/dbraw/zinc/13/07/57/479130757.db2.gz HENCZXINENWTIF-SJKOYZFVSA-N 1 0 334.420 2.616 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)C1CC[NH+](C)CC1 ZINC000599042259 479135470 /nfs/dbraw/zinc/13/54/70/479135470.db2.gz AGUWOHRADXQAAB-LBPRGKRZSA-N 1 0 344.415 2.716 20 5 EFBDRO COc1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000602017936 479140493 /nfs/dbraw/zinc/14/04/93/479140493.db2.gz UDILQUUVXUSEPX-UHFFFAOYSA-N 1 0 344.293 2.609 20 5 EFBDRO C[C@H](CSc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000593046083 479141088 /nfs/dbraw/zinc/14/10/88/479141088.db2.gz MVCACUPPWITZMU-CQSZACIVSA-N 1 0 347.440 2.869 20 5 EFBDRO O=c1[nH]ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596106386 479142163 /nfs/dbraw/zinc/14/21/63/479142163.db2.gz AFBBVDDIBHILEL-HNNXBMFYSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000573793635 479143719 /nfs/dbraw/zinc/14/37/19/479143719.db2.gz GDYSJOXTQIOJIQ-NSHDSACASA-N 1 0 337.807 2.852 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751573 479144953 /nfs/dbraw/zinc/14/49/53/479144953.db2.gz VMFPWURZCUXHOK-MJICGBHWSA-N 1 0 347.390 2.691 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599070140 479147126 /nfs/dbraw/zinc/14/71/26/479147126.db2.gz LJKXGPQNPVAFQX-HUUCEWRRSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599070142 479147651 /nfs/dbraw/zinc/14/76/51/479147651.db2.gz LJKXGPQNPVAFQX-LSDHHAIUSA-N 1 0 348.447 2.633 20 5 EFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593056936 479148726 /nfs/dbraw/zinc/14/87/26/479148726.db2.gz BMGWDODWSQFXEK-ZBFHGGJFSA-N 1 0 335.404 2.813 20 5 EFBDRO O=c1[nH]ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596130128 479154961 /nfs/dbraw/zinc/15/49/61/479154961.db2.gz VIQXHGVHMITTBL-CQSZACIVSA-N 1 0 328.372 2.772 20 5 EFBDRO C[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000596134680 479157770 /nfs/dbraw/zinc/15/77/70/479157770.db2.gz OCCQIVSCROGILJ-NSHDSACASA-N 1 0 347.337 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000593078881 479160440 /nfs/dbraw/zinc/16/04/40/479160440.db2.gz CLQFMDIHBQNBQX-NSHDSACASA-N 1 0 333.388 2.853 20 5 EFBDRO NC(=O)c1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596148419 479163872 /nfs/dbraw/zinc/16/38/72/479163872.db2.gz HISYWRXATISFNY-UHFFFAOYSA-N 1 0 346.431 2.903 20 5 EFBDRO Cc1c(NC(=O)CC[NH+]2CCC([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000593084920 479164800 /nfs/dbraw/zinc/16/48/00/479164800.db2.gz SDZGRERVPIRYLX-ZDUSSCGKSA-N 1 0 349.431 2.572 20 5 EFBDRO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596157908 479169818 /nfs/dbraw/zinc/16/98/18/479169818.db2.gz JREOJHIRCPBCCY-CQSZACIVSA-N 1 0 338.477 2.569 20 5 EFBDRO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000599143053 479179065 /nfs/dbraw/zinc/17/90/65/479179065.db2.gz OMEHLNHLKUMZLM-QGZVFWFLSA-N 1 0 341.415 2.732 20 5 EFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610762411 479180427 /nfs/dbraw/zinc/18/04/27/479180427.db2.gz MPSWWWYUGWXGFF-UHFFFAOYSA-N 1 0 335.360 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[NH+]1CCCCC1 ZINC000593112593 479180583 /nfs/dbraw/zinc/18/05/83/479180583.db2.gz QFUMISXEDCPMAG-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189908 479189372 /nfs/dbraw/zinc/18/93/72/479189372.db2.gz NDJLCWKPZPPVBD-STQMWFEESA-N 1 0 346.431 2.759 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000610798738 479192459 /nfs/dbraw/zinc/19/24/59/479192459.db2.gz WPVVRTPEWIAWFA-CYBMUJFWSA-N 1 0 331.416 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000610803590 479192477 /nfs/dbraw/zinc/19/24/77/479192477.db2.gz LYCPKMAUZGPDFI-DYVFJYSZSA-N 1 0 344.415 2.820 20 5 EFBDRO CC[N@H+](CCNc1c(Cl)cncc1[N+](=O)[O-])CCC(F)(F)F ZINC000596209880 479200968 /nfs/dbraw/zinc/20/09/68/479200968.db2.gz IFIKEODHPZKCKP-UHFFFAOYSA-N 1 0 340.733 2.751 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593144028 479202491 /nfs/dbraw/zinc/20/24/91/479202491.db2.gz SBZJBTAVCHVLJG-OAHLLOKOSA-N 1 0 337.395 2.513 20 5 EFBDRO C[N@@H+]1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000599189238 479202770 /nfs/dbraw/zinc/20/27/70/479202770.db2.gz NYMMOSZLJUXLES-MSOLQXFVSA-N 1 0 339.395 2.556 20 5 EFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000610856089 479209716 /nfs/dbraw/zinc/20/97/16/479209716.db2.gz GXYLGGZWRHTWJB-UONOGXRCSA-N 1 0 325.434 2.836 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000596223291 479209913 /nfs/dbraw/zinc/20/99/13/479209913.db2.gz OVFXOECGNFXIKS-UHFFFAOYSA-N 1 0 342.390 2.970 20 5 EFBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596231245 479213263 /nfs/dbraw/zinc/21/32/63/479213263.db2.gz OIQXFPIFADAYJQ-BXUZGUMPSA-N 1 0 346.387 2.828 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596232996 479214884 /nfs/dbraw/zinc/21/48/84/479214884.db2.gz VPLDALHCBPYAEC-UHFFFAOYSA-N 1 0 332.791 2.964 20 5 EFBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596246711 479222146 /nfs/dbraw/zinc/22/21/46/479222146.db2.gz YDFYYYOMWFYKFS-CZUORRHYSA-N 1 0 341.415 2.889 20 5 EFBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596246705 479222887 /nfs/dbraw/zinc/22/28/87/479222887.db2.gz YDFYYYOMWFYKFS-BBRMVZONSA-N 1 0 341.415 2.889 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000593186931 479228838 /nfs/dbraw/zinc/22/88/38/479228838.db2.gz BKIJGONLOBTGRH-UTUOFQBUSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593187639 479228900 /nfs/dbraw/zinc/22/89/00/479228900.db2.gz NGVFABHYZGZEOG-JHJVBQTASA-N 1 0 337.445 2.626 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000556860030 479229245 /nfs/dbraw/zinc/22/92/45/479229245.db2.gz TXZWKWJWHVWNFK-VQIMIIECSA-N 1 0 342.395 2.920 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000610923261 479233079 /nfs/dbraw/zinc/23/30/79/479233079.db2.gz GCFSAMFZEOHVGR-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081848 479237644 /nfs/dbraw/zinc/23/76/44/479237644.db2.gz DKBXJPBQJHXQOV-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO CCN(Cc1ccoc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610944065 479238688 /nfs/dbraw/zinc/23/86/88/479238688.db2.gz ZVGSTNLQWGRUKK-MRXNPFEDSA-N 1 0 329.356 2.815 20 5 EFBDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000584787333 479242455 /nfs/dbraw/zinc/24/24/55/479242455.db2.gz CNQOLADSAUANDL-CYBMUJFWSA-N 1 0 349.822 2.655 20 5 EFBDRO CC(C)[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611170480 479300248 /nfs/dbraw/zinc/30/02/48/479300248.db2.gz OBNFVPKTSUSHSG-OAHLLOKOSA-N 1 0 340.445 2.630 20 5 EFBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611177288 479302619 /nfs/dbraw/zinc/30/26/19/479302619.db2.gz DGPDQGWCSUUAKR-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000611182197 479305219 /nfs/dbraw/zinc/30/52/19/479305219.db2.gz FIVFKXNUQOMBGK-MRXNPFEDSA-N 1 0 338.411 2.975 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000611185408 479306215 /nfs/dbraw/zinc/30/62/15/479306215.db2.gz BUYWAUBSHNQHNJ-UHFFFAOYSA-N 1 0 331.347 2.565 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000596467828 479308056 /nfs/dbraw/zinc/30/80/56/479308056.db2.gz VFPSFDQFGIYXQG-MRXNPFEDSA-N 1 0 326.400 2.743 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196127 479308122 /nfs/dbraw/zinc/30/81/22/479308122.db2.gz RSCIHAIKUOADPR-LBPRGKRZSA-N 1 0 330.388 2.680 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000611196229 479308211 /nfs/dbraw/zinc/30/82/11/479308211.db2.gz QDRGEAKRPCLCFR-ZDUSSCGKSA-N 1 0 342.399 2.634 20 5 EFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611205221 479310452 /nfs/dbraw/zinc/31/04/52/479310452.db2.gz OECLQSIQGJJXSO-KGLIPLIRSA-N 1 0 335.404 2.589 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478126 479311489 /nfs/dbraw/zinc/31/14/89/479311489.db2.gz HHCQVNWUDDPUSG-GFCCVEGCSA-N 1 0 332.404 2.513 20 5 EFBDRO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596481047 479312691 /nfs/dbraw/zinc/31/26/91/479312691.db2.gz WMIJNXUFSORYAJ-CYBMUJFWSA-N 1 0 348.403 2.595 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000574602439 479314983 /nfs/dbraw/zinc/31/49/83/479314983.db2.gz UNAIPCNPSJFFQB-ZDUSSCGKSA-N 1 0 342.399 2.826 20 5 EFBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599511866 479317594 /nfs/dbraw/zinc/31/75/94/479317594.db2.gz CMVFUTNDSJPJED-PHIMTYICSA-N 1 0 327.331 2.756 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(-n4cccn4)c3)nc2c1 ZINC000574633039 479320569 /nfs/dbraw/zinc/32/05/69/479320569.db2.gz IFOGNAHEQGCHRV-UHFFFAOYSA-N 1 0 348.366 2.947 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000599527729 479322434 /nfs/dbraw/zinc/32/24/34/479322434.db2.gz SQQSLWBOGPNOOH-KRWDZBQOSA-N 1 0 346.431 2.761 20 5 EFBDRO CCCC(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611261244 479327486 /nfs/dbraw/zinc/32/74/86/479327486.db2.gz ZLWOQZQLPGQNKT-YVMONPNESA-N 1 0 331.416 2.989 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593417030 479332310 /nfs/dbraw/zinc/33/23/10/479332310.db2.gz IVCSOUDDMQCYLL-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO COC(=O)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000602440067 479332325 /nfs/dbraw/zinc/33/23/25/479332325.db2.gz NKLKUJRAWWRKFS-UHFFFAOYSA-N 1 0 343.383 2.885 20 5 EFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611273848 479333293 /nfs/dbraw/zinc/33/32/93/479333293.db2.gz OMUHAOHWQGJOSU-DIWYCERUSA-N 1 0 346.427 2.860 20 5 EFBDRO COC(=O)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000602439703 479333253 /nfs/dbraw/zinc/33/32/53/479333253.db2.gz LKIRDAXGRQLUEE-UHFFFAOYSA-N 1 0 343.383 2.885 20 5 EFBDRO COc1cc(C[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])cc1OC(F)F ZINC000599571687 479337081 /nfs/dbraw/zinc/33/70/81/479337081.db2.gz QIRNQWPKHRZOAI-UHFFFAOYSA-N 1 0 346.330 2.673 20 5 EFBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611314635 479346639 /nfs/dbraw/zinc/34/66/39/479346639.db2.gz WRNNQMVGFVLYHD-DZGCQCFKSA-N 1 0 336.388 2.659 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000611335744 479350721 /nfs/dbraw/zinc/35/07/21/479350721.db2.gz YRHIVTGAPGIMIK-GFCCVEGCSA-N 1 0 335.404 2.703 20 5 EFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471814 479351852 /nfs/dbraw/zinc/35/18/52/479351852.db2.gz JEZVOPSNWLGGJQ-LLVKDONJSA-N 1 0 345.321 2.572 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602474999 479353888 /nfs/dbraw/zinc/35/38/88/479353888.db2.gz SJTDQQJYLBEMFJ-VIFPVBQESA-N 1 0 348.266 2.802 20 5 EFBDRO C[NH+](C)C[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000593477712 479359007 /nfs/dbraw/zinc/35/90/07/479359007.db2.gz IHRJGVYBCQRXTP-NSHDSACASA-N 1 0 340.836 2.884 20 5 EFBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483485 479360782 /nfs/dbraw/zinc/36/07/82/479360782.db2.gz RKFJPJGUHKZWRR-SNVBAGLBSA-N 1 0 345.321 2.701 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602485808 479362143 /nfs/dbraw/zinc/36/21/43/479362143.db2.gz NRTSGPUEYLMFFU-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000593488155 479363727 /nfs/dbraw/zinc/36/37/27/479363727.db2.gz BJGPFXJTKKAQPN-CQSZACIVSA-N 1 0 349.406 2.611 20 5 EFBDRO CC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1[NH3+] ZINC000602494063 479368481 /nfs/dbraw/zinc/36/84/81/479368481.db2.gz WZZZBMPKWSGQJD-BBRMVZONSA-N 1 0 331.416 2.602 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccn1 ZINC000602501239 479370160 /nfs/dbraw/zinc/37/01/60/479370160.db2.gz BWNXCCDPZZFXAI-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCn2ccnc2)cc1Br ZINC000602502942 479370898 /nfs/dbraw/zinc/37/08/98/479370898.db2.gz JGCIJWVDNWHDEK-UHFFFAOYSA-N 1 0 345.222 2.795 20 5 EFBDRO Cc1nc(N(C)CCC[N@H+](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000603400098 479371152 /nfs/dbraw/zinc/37/11/52/479371152.db2.gz JRPUAYUORMHIJT-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cn1 ZINC000602503937 479372311 /nfs/dbraw/zinc/37/23/11/479372311.db2.gz PIMVEHRLHPPSEY-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000603403497 479372253 /nfs/dbraw/zinc/37/22/53/479372253.db2.gz WEVQTTXLLJUHDA-UHFFFAOYSA-N 1 0 349.822 2.997 20 5 EFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603402143 479372384 /nfs/dbraw/zinc/37/23/84/479372384.db2.gz NBTDNGPZSNAGGZ-LBPRGKRZSA-N 1 0 339.823 2.938 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000603402986 479372998 /nfs/dbraw/zinc/37/29/98/479372998.db2.gz UBWTZTHXIWNIFH-UHFFFAOYSA-N 1 0 349.822 2.997 20 5 EFBDRO CCOc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603404441 479373541 /nfs/dbraw/zinc/37/35/41/479373541.db2.gz ZHGPPDXTCZXDQQ-AWEZNQCLSA-N 1 0 349.431 2.683 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000602508626 479373865 /nfs/dbraw/zinc/37/38/65/479373865.db2.gz OISPAEHLGSFKOA-UHFFFAOYSA-N 1 0 345.374 2.604 20 5 EFBDRO CC(=O)c1ccc(NC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000603407973 479375965 /nfs/dbraw/zinc/37/59/65/479375965.db2.gz JZQMGGHMUQEGKO-UHFFFAOYSA-N 1 0 347.415 2.853 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603414280 479378306 /nfs/dbraw/zinc/37/83/06/479378306.db2.gz QAMCSCJKJLLINB-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000602519371 479379000 /nfs/dbraw/zinc/37/90/00/479379000.db2.gz ZMEBCLZUQWPGRJ-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000602529001 479382836 /nfs/dbraw/zinc/38/28/36/479382836.db2.gz PTQIWHNINRGDFB-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2nnc3n2CCCCC3)cc1 ZINC000602529394 479383091 /nfs/dbraw/zinc/38/30/91/479383091.db2.gz FQKPNKAKOZTXAO-UHFFFAOYSA-N 1 0 343.431 2.678 20 5 EFBDRO CC[C@]1(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000588041247 479386777 /nfs/dbraw/zinc/38/67/77/479386777.db2.gz AVMBDBLOQHLSCU-KRWDZBQOSA-N 1 0 328.372 2.763 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541213 479388289 /nfs/dbraw/zinc/38/82/89/479388289.db2.gz OGNGYNNAKWAOSF-MNOVXSKESA-N 1 0 345.321 2.503 20 5 EFBDRO COC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000599682510 479388541 /nfs/dbraw/zinc/38/85/41/479388541.db2.gz KVRNIQQDJAQTJH-RDTXWAMCSA-N 1 0 344.415 2.816 20 5 EFBDRO COc1cc(C[C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602541579 479388630 /nfs/dbraw/zinc/38/86/30/479388630.db2.gz WWRPLDCWJGFIAR-ZDUSSCGKSA-N 1 0 331.372 2.598 20 5 EFBDRO Cc1cc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc([N+](=O)[O-])c1 ZINC000602540845 479388799 /nfs/dbraw/zinc/38/87/99/479388799.db2.gz WHALKAJJYIVGID-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO COC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000599682509 479389212 /nfs/dbraw/zinc/38/92/12/479389212.db2.gz KVRNIQQDJAQTJH-KSSFIOAISA-N 1 0 344.415 2.816 20 5 EFBDRO Cc1ccc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1[N+](=O)[O-] ZINC000602542133 479389697 /nfs/dbraw/zinc/38/96/97/479389697.db2.gz UGCFYXJRUQUVNU-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000602544367 479389776 /nfs/dbraw/zinc/38/97/76/479389776.db2.gz ACWIHTTYNQPJRY-INIZCTEOSA-N 1 0 339.395 2.812 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588085497 479391499 /nfs/dbraw/zinc/39/14/99/479391499.db2.gz PSHDPKQNPCMTMT-LRDDRELGSA-N 1 0 327.388 2.601 20 5 EFBDRO O=C(NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000602546993 479391549 /nfs/dbraw/zinc/39/15/49/479391549.db2.gz VZMAJLYKJCLQEG-UHFFFAOYSA-N 1 0 333.413 2.609 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547863 479392082 /nfs/dbraw/zinc/39/20/82/479392082.db2.gz JWKVGUPAXCFRNL-SECBINFHSA-N 1 0 348.266 2.850 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC(F)(F)F)CC2)cn1 ZINC000602554847 479394039 /nfs/dbraw/zinc/39/40/39/479394039.db2.gz JACLBCXHEVFYQG-UHFFFAOYSA-N 1 0 332.326 2.891 20 5 EFBDRO COc1cc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)ccn1 ZINC000602554895 479394257 /nfs/dbraw/zinc/39/42/57/479394257.db2.gz ZUGIMTGGXCYXET-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO CN(C)C(=O)c1cccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602556780 479395657 /nfs/dbraw/zinc/39/56/57/479395657.db2.gz MFKNCYABJPDCQS-UHFFFAOYSA-N 1 0 341.411 2.671 20 5 EFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602559895 479396374 /nfs/dbraw/zinc/39/63/74/479396374.db2.gz JGFCLFUMRGRDDD-ZBFHGGJFSA-N 1 0 333.432 2.954 20 5 EFBDRO CO[C@@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602559912 479396810 /nfs/dbraw/zinc/39/68/10/479396810.db2.gz JROFKVOJFHXZMC-SFHVURJKSA-N 1 0 336.432 2.949 20 5 EFBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602557774 479397081 /nfs/dbraw/zinc/39/70/81/479397081.db2.gz ILKUPTNOTDRITE-YUMQZZPRSA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602558993 479397423 /nfs/dbraw/zinc/39/74/23/479397423.db2.gz RQZDBAZRVGUVSI-YUMQZZPRSA-N 1 0 335.223 2.933 20 5 EFBDRO C[C@@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560940 479397696 /nfs/dbraw/zinc/39/76/96/479397696.db2.gz OHFGPPWQXOASKR-BDAKNGLRSA-N 1 0 348.266 2.991 20 5 EFBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569272 479401830 /nfs/dbraw/zinc/40/18/30/479401830.db2.gz OQKNLSLGCYRIDN-GTUYJWLHSA-N 1 0 338.351 2.860 20 5 EFBDRO [NH3+][C@@H]1CCCCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602577763 479405613 /nfs/dbraw/zinc/40/56/13/479405613.db2.gz AQXPZJAGNYQILZ-OAHLLOKOSA-N 1 0 331.416 2.746 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000575127160 479407848 /nfs/dbraw/zinc/40/78/48/479407848.db2.gz WCEUNUZBLFWJLI-HOTGVXAUSA-N 1 0 346.435 2.898 20 5 EFBDRO COc1cc(F)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1OC ZINC000593627220 479407983 /nfs/dbraw/zinc/40/79/83/479407983.db2.gz AXDGJWNUUPXERE-UHFFFAOYSA-N 1 0 349.362 2.716 20 5 EFBDRO C[C@H]1CCN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602592316 479413620 /nfs/dbraw/zinc/41/36/20/479413620.db2.gz COJORFFERGSXQB-VIFPVBQESA-N 1 0 348.266 2.850 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cncc(F)c1 ZINC000602595488 479416252 /nfs/dbraw/zinc/41/62/52/479416252.db2.gz BCXFCMLOTJZEEX-LBPRGKRZSA-N 1 0 345.378 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cn1 ZINC000602610667 479422753 /nfs/dbraw/zinc/42/27/53/479422753.db2.gz IIAFQNNCRZNUFI-UHFFFAOYSA-N 1 0 338.411 2.716 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1OC ZINC000602614786 479424908 /nfs/dbraw/zinc/42/49/08/479424908.db2.gz DCUQGTULEFNMJH-YUTCNCBUSA-N 1 0 348.321 2.896 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1Br ZINC000602619862 479427654 /nfs/dbraw/zinc/42/76/54/479427654.db2.gz IRWCPTWVCDXPJT-NXEZZACHSA-N 1 0 335.223 2.812 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593714328 479431925 /nfs/dbraw/zinc/43/19/25/479431925.db2.gz CYGGCBWMTVBSSQ-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593715676 479433131 /nfs/dbraw/zinc/43/31/31/479433131.db2.gz BXFHOIQAVNPMOW-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000593719541 479433657 /nfs/dbraw/zinc/43/36/57/479433657.db2.gz FIORSQBHJQLCHZ-AEFFLSMTSA-N 1 0 334.416 2.838 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@]1(O)CCCOC1)CCCC2 ZINC000593722272 479433731 /nfs/dbraw/zinc/43/37/31/479433731.db2.gz WOBFRINPBYZWDE-MSOLQXFVSA-N 1 0 334.416 2.884 20 5 EFBDRO CC(C)(NC(=O)NCCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000593720445 479434495 /nfs/dbraw/zinc/43/44/95/479434495.db2.gz LGYZCWQWIJDRLW-UHFFFAOYSA-N 1 0 334.420 2.519 20 5 EFBDRO Cc1c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000603848824 479437260 /nfs/dbraw/zinc/43/72/60/479437260.db2.gz XONJFUQQSGDGCD-KRWDZBQOSA-N 1 0 333.432 2.590 20 5 EFBDRO C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733936 479437402 /nfs/dbraw/zinc/43/74/02/479437402.db2.gz OOXVVXVBAYXOSJ-DOMZBBRYSA-N 1 0 345.403 2.594 20 5 EFBDRO COCCc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000602649058 479448217 /nfs/dbraw/zinc/44/82/17/479448217.db2.gz GVFKOLNSZDXIRJ-UHFFFAOYSA-N 1 0 335.429 2.915 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000611698202 479448814 /nfs/dbraw/zinc/44/88/14/479448814.db2.gz ZOHDNZAMXPLRTK-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000611701875 479450444 /nfs/dbraw/zinc/45/04/44/479450444.db2.gz RJZBLAWAOYHCGT-CHWSQXEVSA-N 1 0 329.404 2.635 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704754 479450499 /nfs/dbraw/zinc/45/04/99/479450499.db2.gz BKLDKLWLKBIIGJ-ZDUSSCGKSA-N 1 0 329.404 2.706 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707149 479451049 /nfs/dbraw/zinc/45/10/49/479451049.db2.gz LEPIJBGBPCYLAN-CQSZACIVSA-N 1 0 341.415 2.706 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707143 479451478 /nfs/dbraw/zinc/45/14/78/479451478.db2.gz LEPIJBGBPCYLAN-AWEZNQCLSA-N 1 0 341.415 2.706 20 5 EFBDRO [NH3+]CC1(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000593762574 479452331 /nfs/dbraw/zinc/45/23/31/479452331.db2.gz BEMNMAMUCSRMDW-UHFFFAOYSA-N 1 0 346.309 2.864 20 5 EFBDRO CCC[NH+](CCC)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709783 479452897 /nfs/dbraw/zinc/45/28/97/479452897.db2.gz KJMACYSHKZBTMU-UHFFFAOYSA-N 1 0 331.420 2.884 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665433 479460167 /nfs/dbraw/zinc/46/01/67/479460167.db2.gz JHSAVIJRYKBQDB-IUODEOHRSA-N 1 0 330.388 2.652 20 5 EFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674866 479468187 /nfs/dbraw/zinc/46/81/87/479468187.db2.gz GXMBPGMRWUUUFN-FZMZJTMJSA-N 1 0 348.321 2.755 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596882372 479471427 /nfs/dbraw/zinc/47/14/27/479471427.db2.gz QMSIVOJKUWWBQP-OAHLLOKOSA-N 1 0 346.431 2.753 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602687097 479476123 /nfs/dbraw/zinc/47/61/23/479476123.db2.gz IFAGPYVAEZKJEX-INIZCTEOSA-N 1 0 330.384 2.512 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602689376 479476413 /nfs/dbraw/zinc/47/64/13/479476413.db2.gz GFSWOUSIPFJMMJ-UGSOOPFHSA-N 1 0 348.447 2.752 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000589107372 479479405 /nfs/dbraw/zinc/47/94/05/479479405.db2.gz SEXCKOBGZIQTGT-CYBMUJFWSA-N 1 0 338.770 2.919 20 5 EFBDRO COc1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1[N+](=O)[O-] ZINC000589136750 479484449 /nfs/dbraw/zinc/48/44/49/479484449.db2.gz FLYUKTSIPSTUSS-YOGCLGLASA-N 1 0 344.371 2.994 20 5 EFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000599985807 479488399 /nfs/dbraw/zinc/48/83/99/479488399.db2.gz JHTPSXYUPZSYJZ-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC[NH+](C)CC1 ZINC000599986466 479488704 /nfs/dbraw/zinc/48/87/04/479488704.db2.gz UHIIVPUILOXKCU-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO Cn1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000604264796 479494254 /nfs/dbraw/zinc/49/42/54/479494254.db2.gz KXTANTCMEDRSTG-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2CO)n1 ZINC000618564660 479494344 /nfs/dbraw/zinc/49/43/44/479494344.db2.gz BJDRXOMGGFLQOM-HZPDHXFCSA-N 1 0 330.388 2.557 20 5 EFBDRO Cc1csc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000618562610 479494359 /nfs/dbraw/zinc/49/43/59/479494359.db2.gz SFUYXQWSWMZVOI-OLZOCXBDSA-N 1 0 335.433 2.872 20 5 EFBDRO CCSC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602713114 479497288 /nfs/dbraw/zinc/49/72/88/479497288.db2.gz JRCNKFYTIBFUAP-UHFFFAOYSA-N 1 0 336.461 2.834 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602718023 479501593 /nfs/dbraw/zinc/50/15/93/479501593.db2.gz TYSBIMBTDIDGAI-HOMQSWHASA-N 1 0 332.278 2.655 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915342 479507008 /nfs/dbraw/zinc/50/70/08/479507008.db2.gz JAWVWBZVLWVVML-YPMHNXCESA-N 1 0 337.445 2.906 20 5 EFBDRO C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915679 479507484 /nfs/dbraw/zinc/50/74/84/479507484.db2.gz JSTPQOBJKWVBDX-WFASDCNBSA-N 1 0 337.445 2.663 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000593915806 479507806 /nfs/dbraw/zinc/50/78/06/479507806.db2.gz XHNAYZTVICIPHF-ZBEGNZNMSA-N 1 0 335.429 2.518 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916860 479508356 /nfs/dbraw/zinc/50/83/56/479508356.db2.gz SQJUYJHEVSINTK-JSGCOSHPSA-N 1 0 335.404 2.583 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000593918189 479508671 /nfs/dbraw/zinc/50/86/71/479508671.db2.gz BXUOJAONBZVHIU-GFCCVEGCSA-N 1 0 337.445 2.581 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000593918190 479508805 /nfs/dbraw/zinc/50/88/05/479508805.db2.gz BXUOJAONBZVHIU-LBPRGKRZSA-N 1 0 337.445 2.581 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589320770 479512640 /nfs/dbraw/zinc/51/26/40/479512640.db2.gz MGNQEZJHHFDACO-NTEUORMPSA-N 1 0 339.395 2.816 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576002656 479520429 /nfs/dbraw/zinc/52/04/29/479520429.db2.gz AZFVDMUIUZABMQ-DWQUBVKVSA-N 1 0 342.399 2.826 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604472166 479523103 /nfs/dbraw/zinc/52/31/03/479523103.db2.gz GPHDBFIONRMPGZ-OAHLLOKOSA-N 1 0 342.399 2.565 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cnccc1C ZINC000611939340 479526999 /nfs/dbraw/zinc/52/69/99/479526999.db2.gz JFUAQRJCHIAWKH-CYBMUJFWSA-N 1 0 328.372 2.896 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611939816 479527076 /nfs/dbraw/zinc/52/70/76/479527076.db2.gz OYDZRQBXZKOTKQ-CYBMUJFWSA-N 1 0 340.383 2.538 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938537 479527395 /nfs/dbraw/zinc/52/73/95/479527395.db2.gz FKZLTLYMEZRILN-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611939264 479527727 /nfs/dbraw/zinc/52/77/27/479527727.db2.gz GLKXQPGNUIHZBZ-ZDUSSCGKSA-N 1 0 340.383 2.538 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611940368 479528359 /nfs/dbraw/zinc/52/83/59/479528359.db2.gz ZFCGDJJTAIHFFF-CHWSQXEVSA-N 1 0 328.372 2.976 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cnccc1C ZINC000611940345 479529031 /nfs/dbraw/zinc/52/90/31/479529031.db2.gz YCNYTBHUZXMNQO-LBPRGKRZSA-N 1 0 344.371 2.596 20 5 EFBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000604526486 479534154 /nfs/dbraw/zinc/53/41/54/479534154.db2.gz GJVPGTLUVWDRKL-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521358 479537086 /nfs/dbraw/zinc/53/70/86/479537086.db2.gz ULKZDTCYQCIEKO-JKSUJKDBSA-N 1 0 338.379 2.534 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000602766876 479537644 /nfs/dbraw/zinc/53/76/44/479537644.db2.gz GDNPKFVDMWUCGS-MRXNPFEDSA-N 1 0 332.379 2.946 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521356 479537746 /nfs/dbraw/zinc/53/77/46/479537746.db2.gz ULKZDTCYQCIEKO-HZPDHXFCSA-N 1 0 338.379 2.534 20 5 EFBDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593994242 479538149 /nfs/dbraw/zinc/53/81/49/479538149.db2.gz XFRVWLPYJJNBPV-ZDUSSCGKSA-N 1 0 349.822 2.655 20 5 EFBDRO COc1ccc([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)cc1 ZINC000602770143 479541665 /nfs/dbraw/zinc/54/16/65/479541665.db2.gz NANBIQAFVOQKCO-HNNXBMFYSA-N 1 0 330.388 2.598 20 5 EFBDRO COc1ccc2c(c1)CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602772696 479543122 /nfs/dbraw/zinc/54/31/22/479543122.db2.gz NKVZIPWZRIQWPW-UHFFFAOYSA-N 1 0 330.388 2.557 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000602779547 479546478 /nfs/dbraw/zinc/54/64/78/479546478.db2.gz IDPLXZKZNWGIGV-UHFFFAOYSA-N 1 0 332.379 2.946 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000602779789 479548152 /nfs/dbraw/zinc/54/81/52/479548152.db2.gz RCTKLALAANWPOS-QGZVFWFLSA-N 1 0 346.431 2.619 20 5 EFBDRO COc1ccccc1C[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782169 479548240 /nfs/dbraw/zinc/54/82/40/479548240.db2.gz LPPGJVBGFDLXJG-ZDUSSCGKSA-N 1 0 332.404 2.671 20 5 EFBDRO Cc1ccc(F)c(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000576150584 479550332 /nfs/dbraw/zinc/55/03/32/479550332.db2.gz TYXQCJFABWIUOV-OAHLLOKOSA-N 1 0 348.374 2.614 20 5 EFBDRO CCc1csc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000594019679 479551806 /nfs/dbraw/zinc/55/18/06/479551806.db2.gz QDVFHSIMYJOTQM-UHFFFAOYSA-N 1 0 349.460 2.765 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155846 479552149 /nfs/dbraw/zinc/55/21/49/479552149.db2.gz KANIZHLSTPCOTJ-LNSITVRQSA-N 1 0 344.371 2.817 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](OC2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000594026544 479555542 /nfs/dbraw/zinc/55/55/42/479555542.db2.gz LUBFEFXIDUXGCH-OAHLLOKOSA-N 1 0 347.415 2.957 20 5 EFBDRO COc1ccc(C[C@H](C)C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602797668 479560624 /nfs/dbraw/zinc/56/06/24/479560624.db2.gz IWSZNJZLKVVQEQ-AWEZNQCLSA-N 1 0 346.431 2.919 20 5 EFBDRO COc1cc(C)c([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602802603 479564328 /nfs/dbraw/zinc/56/43/28/479564328.db2.gz RCWMHJTUWZUNAS-GFCCVEGCSA-N 1 0 348.403 2.776 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@]1(CO)CCOC1 ZINC000600178639 479565976 /nfs/dbraw/zinc/56/59/76/479565976.db2.gz NGMLNIJFBRTSGX-QGZVFWFLSA-N 1 0 348.424 2.907 20 5 EFBDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594063625 479575094 /nfs/dbraw/zinc/57/50/94/479575094.db2.gz JYPOAFFVVHPXHZ-SECBINFHSA-N 1 0 329.194 2.703 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000602823243 479576928 /nfs/dbraw/zinc/57/69/28/479576928.db2.gz AQACITZHQUEISG-XHSDSOJGSA-N 1 0 336.436 2.505 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000602827268 479578893 /nfs/dbraw/zinc/57/88/93/479578893.db2.gz CFPBPATZVKXQRV-UHFFFAOYSA-N 1 0 330.388 2.773 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589939145 479583425 /nfs/dbraw/zinc/58/34/25/479583425.db2.gz ULUSQKAMMFWZLT-MFKMUULPSA-N 1 0 334.294 2.539 20 5 EFBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000612113925 479587841 /nfs/dbraw/zinc/58/78/41/479587841.db2.gz ZOTKLJDLUZZBJV-LSDHHAIUSA-N 1 0 334.416 2.847 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H]2CCOC2)CC1 ZINC000612131408 479592144 /nfs/dbraw/zinc/59/21/44/479592144.db2.gz NDYVDOKPIUVGJE-HNNXBMFYSA-N 1 0 347.415 2.590 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602890325 479613275 /nfs/dbraw/zinc/61/32/75/479613275.db2.gz HFPKKNCTYHFIMZ-HZPDHXFCSA-N 1 0 338.379 2.534 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191649 479615876 /nfs/dbraw/zinc/61/58/76/479615876.db2.gz BBUHFYWFPCWIKE-QGZVFWFLSA-N 1 0 330.388 2.654 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590191646 479616164 /nfs/dbraw/zinc/61/61/64/479616164.db2.gz BBUHFYWFPCWIKE-KRWDZBQOSA-N 1 0 330.388 2.654 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCC[C@H]21 ZINC000590203731 479617071 /nfs/dbraw/zinc/61/70/71/479617071.db2.gz QPFJBCSMGLAYFW-NVXWUHKLSA-N 1 0 343.427 2.994 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597204674 479619343 /nfs/dbraw/zinc/61/93/43/479619343.db2.gz CTDBZZVWTBBAMD-GOEBONIOSA-N 1 0 331.416 2.819 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1COCCO1 ZINC000597205278 479619595 /nfs/dbraw/zinc/61/95/95/479619595.db2.gz IDNKOBQMMXXILW-MRXNPFEDSA-N 1 0 332.356 2.702 20 5 EFBDRO COc1cccc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCC2)c1 ZINC000602903262 479621943 /nfs/dbraw/zinc/62/19/43/479621943.db2.gz NWFUCZOMBBJMED-UHFFFAOYSA-N 1 0 330.388 2.777 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195113 479626080 /nfs/dbraw/zinc/62/60/80/479626080.db2.gz CCGQMLURLYMMEX-MLHJIOFPSA-N 1 0 343.427 2.831 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197187 479628428 /nfs/dbraw/zinc/62/84/28/479628428.db2.gz AVOBTWQILAGKSR-HOTGVXAUSA-N 1 0 349.456 2.820 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000597223449 479629168 /nfs/dbraw/zinc/62/91/68/479629168.db2.gz OYXUUXSCWQNURG-HWKANZROSA-N 1 0 345.443 2.652 20 5 EFBDRO CCNc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594200264 479630623 /nfs/dbraw/zinc/63/06/23/479630623.db2.gz KHQRSRYOEQBXGE-JKSUJKDBSA-N 1 0 346.431 2.773 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000590335663 479632671 /nfs/dbraw/zinc/63/26/71/479632671.db2.gz TXNHZMXFYMLHDA-UHFFFAOYSA-N 1 0 349.456 2.873 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@]3(CCCO3)[C@H]1C1CC1)OCCO2 ZINC000590381006 479636682 /nfs/dbraw/zinc/63/66/82/479636682.db2.gz UDCSRKPDBLWQNU-QZTJIDSGSA-N 1 0 346.383 2.509 20 5 EFBDRO CCOC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000597236895 479637089 /nfs/dbraw/zinc/63/70/89/479637089.db2.gz YJESHDXNDPTNMD-FNORWQNLSA-N 1 0 348.399 2.700 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590403423 479640273 /nfs/dbraw/zinc/64/02/73/479640273.db2.gz SCRUAMMIQOIQRW-XUJVJEKNSA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000615303171 479652076 /nfs/dbraw/zinc/65/20/76/479652076.db2.gz GGEZNBMHAWKDNJ-DJJJIMSYSA-N 1 0 349.434 2.846 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000615303174 479652466 /nfs/dbraw/zinc/65/24/66/479652466.db2.gz GGEZNBMHAWKDNJ-ORAYPTAESA-N 1 0 349.434 2.846 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000590538043 479657360 /nfs/dbraw/zinc/65/73/60/479657360.db2.gz OGTKBPHCRQNAHF-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000618986664 479660263 /nfs/dbraw/zinc/66/02/63/479660263.db2.gz BCHIKYMPBHVCBK-ZLIFDBKOSA-N 1 0 333.432 2.626 20 5 EFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590594831 479664751 /nfs/dbraw/zinc/66/47/51/479664751.db2.gz IAHMNDQTLMSVRL-IRXDYDNUSA-N 1 0 344.415 2.864 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612591650 479703228 /nfs/dbraw/zinc/70/32/28/479703228.db2.gz LTSKTBOPCWTNOH-CHWSQXEVSA-N 1 0 337.395 2.826 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619433482 479788240 /nfs/dbraw/zinc/78/82/40/479788240.db2.gz MGXVPQSBPUVXTA-QGZVFWFLSA-N 1 0 336.388 2.757 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000615946915 479788700 /nfs/dbraw/zinc/78/87/00/479788700.db2.gz LGFJILBTDYBOJP-UHFFFAOYSA-N 1 0 329.404 2.850 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000619531606 479820576 /nfs/dbraw/zinc/82/05/76/479820576.db2.gz NLROPWOGPSEPFI-UHFFFAOYSA-N 1 0 330.384 2.640 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(N(C)C)cc[nH+]2)c1 ZINC000619584137 479835641 /nfs/dbraw/zinc/83/56/41/479835641.db2.gz NBPFYJVIZMYJBZ-UHFFFAOYSA-N 1 0 344.371 2.772 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000619583423 479835834 /nfs/dbraw/zinc/83/58/34/479835834.db2.gz PISLHXWYTLSJBB-AWEZNQCLSA-N 1 0 349.431 2.519 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](CCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000609483541 480165158 /nfs/dbraw/zinc/16/51/58/480165158.db2.gz XVGRDLHPRNIRSL-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609539897 480172433 /nfs/dbraw/zinc/17/24/33/480172433.db2.gz HEUNNJYUAUCRRD-CJNGLKHVSA-N 1 0 341.367 2.783 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000609560682 480174949 /nfs/dbraw/zinc/17/49/49/480174949.db2.gz MGNJDUDVODHARA-ZDUSSCGKSA-N 1 0 346.431 2.629 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609560669 480175251 /nfs/dbraw/zinc/17/52/51/480175251.db2.gz IVZLZNDQCZBEOI-CQSZACIVSA-N 1 0 348.447 2.875 20 5 EFBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC[NH+](C)CC1 ZINC000609583322 480181459 /nfs/dbraw/zinc/18/14/59/480181459.db2.gz ANOMLMSKZWCANF-NSHDSACASA-N 1 0 330.388 2.536 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631792 480192147 /nfs/dbraw/zinc/19/21/47/480192147.db2.gz YZIOIDVOPLFXID-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609833689 480211313 /nfs/dbraw/zinc/21/13/13/480211313.db2.gz UOWUJPFSJQZGSK-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO CC(C)(CO)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000609839728 480211715 /nfs/dbraw/zinc/21/17/15/480211715.db2.gz GJJZXXYFVDEQAN-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000609849999 480213255 /nfs/dbraw/zinc/21/32/55/480213255.db2.gz RLPBPDQHCCQOPA-KRWDZBQOSA-N 1 0 343.431 2.882 20 5 EFBDRO C[C@@H]1CCCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614191513 480220630 /nfs/dbraw/zinc/22/06/30/480220630.db2.gz HDAMIGQVZQGRIK-CZUORRHYSA-N 1 0 340.445 2.927 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000617509916 480253021 /nfs/dbraw/zinc/25/30/21/480253021.db2.gz BMJBEYUIOHOPLO-UTCJRWHESA-N 1 0 339.399 2.657 20 5 EFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000610273845 480268112 /nfs/dbraw/zinc/26/81/12/480268112.db2.gz RCAGNRDIBAWWPO-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1[N+](=O)[O-] ZINC000610342232 480283892 /nfs/dbraw/zinc/28/38/92/480283892.db2.gz ALKLNQLSDNIRLK-KGLIPLIRSA-N 1 0 327.388 2.704 20 5 EFBDRO COc1cccc2c1OC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000617574353 480284645 /nfs/dbraw/zinc/28/46/45/480284645.db2.gz CMOGOHDBVDKBEO-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000610367839 480291943 /nfs/dbraw/zinc/29/19/43/480291943.db2.gz VYANRVNPZFXNNR-UHFFFAOYSA-N 1 0 338.404 2.873 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610391579 480295761 /nfs/dbraw/zinc/29/57/61/480295761.db2.gz DGPPAXSXEHOGAP-HOTGVXAUSA-N 1 0 333.432 2.843 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000610517935 480327331 /nfs/dbraw/zinc/32/73/31/480327331.db2.gz WMPMNXXJHHPHJQ-CYBMUJFWSA-N 1 0 327.384 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]3C[NH+]3CCCCC3)c2c1 ZINC000614517932 480329867 /nfs/dbraw/zinc/32/98/67/480329867.db2.gz MIWARODVLMBYDW-OAHLLOKOSA-N 1 0 341.415 2.993 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610595835 480346818 /nfs/dbraw/zinc/34/68/18/480346818.db2.gz MSPQCYJOFUIQGF-BBRMVZONSA-N 1 0 346.431 2.748 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610642973 480353938 /nfs/dbraw/zinc/35/39/38/480353938.db2.gz DQOLDJGQALMAFZ-ZIAGYGMSSA-N 1 0 348.447 2.994 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000610653731 480355310 /nfs/dbraw/zinc/35/53/10/480355310.db2.gz UJLWPYMKHAPYIO-UHFFFAOYSA-N 1 0 342.399 2.624 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610719284 480373743 /nfs/dbraw/zinc/37/37/43/480373743.db2.gz PKTOBLVMZZUZFV-DZGCQCFKSA-N 1 0 334.420 2.829 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)CCc3ccccc3)nc2c1 ZINC000618281988 480603057 /nfs/dbraw/zinc/60/30/57/480603057.db2.gz BSOMGBHVWSBBDE-UHFFFAOYSA-N 1 0 340.383 2.508 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[N@@H+](C4CCCC4)CC3)nc2c1 ZINC000618283305 480605213 /nfs/dbraw/zinc/60/52/13/480605213.db2.gz LBRJCZVBFXLJHE-UHFFFAOYSA-N 1 0 343.431 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)nc2c1 ZINC000618288446 480608625 /nfs/dbraw/zinc/60/86/25/480608625.db2.gz RTUPOTDOZVHWIZ-CYBMUJFWSA-N 1 0 330.388 2.720 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000153726384 533764139 /nfs/dbraw/zinc/76/41/39/533764139.db2.gz XGAQJSCUBVTFMF-KBXCAEBGSA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392417 533817341 /nfs/dbraw/zinc/81/73/41/533817341.db2.gz POQWECDGZGRMML-LBPRGKRZSA-N 1 0 345.424 2.892 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000179844410 533825007 /nfs/dbraw/zinc/82/50/07/533825007.db2.gz NVBDBHUWBCPYGY-JTQLQIEISA-N 1 0 341.795 2.591 20 5 EFBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237796 533825003 /nfs/dbraw/zinc/82/50/03/533825003.db2.gz OMMJXWMDIGMASD-DOMZBBRYSA-N 1 0 337.395 2.659 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000154150587 533864328 /nfs/dbraw/zinc/86/43/28/533864328.db2.gz SSUWGPMEMLMOFL-ZDUSSCGKSA-N 1 0 334.397 2.719 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000154036189 533869222 /nfs/dbraw/zinc/86/92/22/533869222.db2.gz NSVNFGMXKBRQHF-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000131004284 533877929 /nfs/dbraw/zinc/87/79/29/533877929.db2.gz UZSLZMLAIIILAI-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000191800065 533953466 /nfs/dbraw/zinc/95/34/66/533953466.db2.gz KEEXORRYOXDWNV-SFHVURJKSA-N 1 0 339.395 2.794 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000174528324 534047728 /nfs/dbraw/zinc/04/77/28/534047728.db2.gz WXQRTSISYBTEIL-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000112925087 517901647 /nfs/dbraw/zinc/90/16/47/517901647.db2.gz QLXHHPRZKRNGSZ-GQCTYLIASA-N 1 0 349.406 2.937 20 5 EFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000090177807 518718719 /nfs/dbraw/zinc/71/87/19/518718719.db2.gz RSDAIHHNGZHDGS-HOTGVXAUSA-N 1 0 345.443 2.905 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126956048 519110704 /nfs/dbraw/zinc/11/07/04/519110704.db2.gz HJRNWTFABQCUAA-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000117802472 519209380 /nfs/dbraw/zinc/20/93/80/519209380.db2.gz RAFFKEDQDLRPOS-AWEZNQCLSA-N 1 0 341.839 2.883 20 5 EFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000183600133 534424290 /nfs/dbraw/zinc/42/42/90/534424290.db2.gz HZKKIQMOVZTLEO-UHFFFAOYSA-N 1 0 347.419 2.766 20 5 EFBDRO CC(C)[NH+]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000078344880 519683369 /nfs/dbraw/zinc/68/33/69/519683369.db2.gz KVFHFLKUAQZCDA-CYBMUJFWSA-N 1 0 345.403 2.732 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245457185 520253375 /nfs/dbraw/zinc/25/33/75/520253375.db2.gz UFOQQZYEQWCRBJ-HUUCEWRRSA-N 1 0 348.447 2.504 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000153792987 520570224 /nfs/dbraw/zinc/57/02/24/520570224.db2.gz VVQOMVYSYAWIRV-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078650311 520587383 /nfs/dbraw/zinc/58/73/83/520587383.db2.gz CFQHQMILICUQBI-AWEZNQCLSA-N 1 0 334.420 2.760 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101650285 520629706 /nfs/dbraw/zinc/62/97/06/520629706.db2.gz SENGXPJJSMINIS-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000123876202 520635493 /nfs/dbraw/zinc/63/54/93/520635493.db2.gz LZVTXKPYZUACLJ-LBPRGKRZSA-N 1 0 325.384 2.974 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245463007 520726499 /nfs/dbraw/zinc/72/64/99/520726499.db2.gz XEDNCFLRCVSLMA-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245463009 520740886 /nfs/dbraw/zinc/74/08/86/520740886.db2.gz XEDNCFLRCVSLMA-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000075851011 520908021 /nfs/dbraw/zinc/90/80/21/520908021.db2.gz HFSJICJSZXKSEF-CQSZACIVSA-N 1 0 337.420 2.700 20 5 EFBDRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000060500110 520908547 /nfs/dbraw/zinc/90/85/47/520908547.db2.gz CLKLTHQTDAIDKL-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000063710549 520911904 /nfs/dbraw/zinc/91/19/04/520911904.db2.gz QPFWFDIBFGCTOB-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000177799177 521722128 /nfs/dbraw/zinc/72/21/28/521722128.db2.gz WLVVVPZKDQIUDW-KGLIPLIRSA-N 1 0 337.807 2.947 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245537289 522001184 /nfs/dbraw/zinc/00/11/84/522001184.db2.gz ITQBBZNBRXWVNV-ZVZYQTTQSA-N 1 0 336.432 2.683 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157883057 522043408 /nfs/dbraw/zinc/04/34/08/522043408.db2.gz XXEPSHYOOZBBPR-LBPRGKRZSA-N 1 0 342.237 2.789 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120946066 522100609 /nfs/dbraw/zinc/10/06/09/522100609.db2.gz VAIYJCPIYRBMIQ-KGLIPLIRSA-N 1 0 344.415 2.608 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000184790753 522302326 /nfs/dbraw/zinc/30/23/26/522302326.db2.gz GINUAWJMIKHTPQ-HZPDHXFCSA-N 1 0 333.432 2.574 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000261906256 522328144 /nfs/dbraw/zinc/32/81/44/522328144.db2.gz ZDKGPWJYQJJNAE-VIFPVBQESA-N 1 0 345.384 2.919 20 5 EFBDRO COc1cc(OC)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000194415409 522793479 /nfs/dbraw/zinc/79/34/79/522793479.db2.gz IHFGDLCBGIGBQI-UHFFFAOYSA-N 1 0 346.383 2.953 20 5 EFBDRO CCc1noc(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119265577 522838657 /nfs/dbraw/zinc/83/86/57/522838657.db2.gz VPPPQUQZFLJUIB-GFCCVEGCSA-N 1 0 331.376 2.535 20 5 EFBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000120111657 522944625 /nfs/dbraw/zinc/94/46/25/522944625.db2.gz UWOUFELPUNIFHV-ZDUSSCGKSA-N 1 0 346.383 2.825 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccnc1 ZINC000181629550 522976437 /nfs/dbraw/zinc/97/64/37/522976437.db2.gz RXRBAUSAWGEHSY-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO COCc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000179237236 523042371 /nfs/dbraw/zinc/04/23/71/523042371.db2.gz GTMLUBOXIMVBLA-MRXNPFEDSA-N 1 0 342.399 2.823 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374437 523352379 /nfs/dbraw/zinc/35/23/79/523352379.db2.gz ZYBWQJPRFLQQDG-KRWDZBQOSA-N 1 0 325.368 2.832 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000079893377 523764044 /nfs/dbraw/zinc/76/40/44/523764044.db2.gz OBNKBWNDZXQWCC-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154677388 523834275 /nfs/dbraw/zinc/83/42/75/523834275.db2.gz RFYSHHGGFKOPCH-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155160520 523886672 /nfs/dbraw/zinc/88/66/72/523886672.db2.gz ZDCBOLPCVFKYKE-CVEARBPZSA-N 1 0 331.416 2.714 20 5 EFBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000191622978 534743227 /nfs/dbraw/zinc/74/32/27/534743227.db2.gz VECGLBDZIQPMFF-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065867842 524219662 /nfs/dbraw/zinc/21/96/62/524219662.db2.gz JRVPSFZSUAFKSG-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181161648 524386603 /nfs/dbraw/zinc/38/66/03/524386603.db2.gz MSWXNIKYCZLBNL-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920685 524400357 /nfs/dbraw/zinc/40/03/57/524400357.db2.gz PXVOORNDVKHZQC-IRXDYDNUSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000120179074 524412244 /nfs/dbraw/zinc/41/22/44/524412244.db2.gz URKXKYDYFDIBOH-CQSZACIVSA-N 1 0 348.447 2.699 20 5 EFBDRO Cc1ccc(C[N@H+](CCO)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000181962378 524413192 /nfs/dbraw/zinc/41/31/92/524413192.db2.gz ZEFVKAXCVVZUJD-UHFFFAOYSA-N 1 0 330.384 2.777 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119384363 524500843 /nfs/dbraw/zinc/50/08/43/524500843.db2.gz NUVMKBMJTXMUBM-OUCADQQQSA-N 1 0 335.404 2.956 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119717711 524630521 /nfs/dbraw/zinc/63/05/21/524630521.db2.gz YTURNJMEDXITEW-KSSFIOAISA-N 1 0 339.395 2.845 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000342442924 534825586 /nfs/dbraw/zinc/82/55/86/534825586.db2.gz PNEABLUVBTUABA-VNTJONDZSA-N 1 0 343.427 2.845 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000066186116 525178920 /nfs/dbraw/zinc/17/89/20/525178920.db2.gz CVOPWZZWFSIVKD-CJNGLKHVSA-N 1 0 332.404 2.536 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263041224 525286143 /nfs/dbraw/zinc/28/61/43/525286143.db2.gz SVNMFBMFECNRGF-WFASDCNBSA-N 1 0 325.796 2.772 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000181290474 525307468 /nfs/dbraw/zinc/30/74/68/525307468.db2.gz FICVVEBFMROPFX-JTQLQIEISA-N 1 0 334.763 2.933 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000081732243 525329618 /nfs/dbraw/zinc/32/96/18/525329618.db2.gz ZKBYBJDJOMWMGC-GFCCVEGCSA-N 1 0 348.447 2.875 20 5 EFBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178648759 525354074 /nfs/dbraw/zinc/35/40/74/525354074.db2.gz FJLPGZLPXAFORI-LBPRGKRZSA-N 1 0 331.347 2.815 20 5 EFBDRO C[S@@](=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183130990 525368907 /nfs/dbraw/zinc/36/89/07/525368907.db2.gz HNJSKUFDXQXAKN-BXKMTCNYSA-N 1 0 348.424 2.683 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000067295622 525446792 /nfs/dbraw/zinc/44/67/92/525446792.db2.gz XZJUULNGFPRNOL-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000067796595 525448479 /nfs/dbraw/zinc/44/84/79/525448479.db2.gz JXMSHZUKTGQKAW-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173410787 525451375 /nfs/dbraw/zinc/45/13/75/525451375.db2.gz NXWHIGQKSMMIDY-LLVKDONJSA-N 1 0 349.337 2.954 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000194415218 525463599 /nfs/dbraw/zinc/46/35/99/525463599.db2.gz AFSMNWHHMKTZDH-GFCCVEGCSA-N 1 0 341.367 2.819 20 5 EFBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000120172420 525491187 /nfs/dbraw/zinc/49/11/87/525491187.db2.gz CAHFICFYXNAXHF-CQSZACIVSA-N 1 0 348.424 2.855 20 5 EFBDRO Cc1c(Br)c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165814147 525524649 /nfs/dbraw/zinc/52/46/49/525524649.db2.gz NICSHKUVYZKJHS-VHSXEESVSA-N 1 0 343.225 2.861 20 5 EFBDRO Cc1c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000177049102 525612020 /nfs/dbraw/zinc/61/20/20/525612020.db2.gz FIHYSHIENYMDMT-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000181114114 525723610 /nfs/dbraw/zinc/72/36/10/525723610.db2.gz HDABUNBLIRNFTJ-LRVUVFPRSA-N 1 0 340.445 2.910 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOC3)s2)cc1 ZINC000184194872 534881459 /nfs/dbraw/zinc/88/14/59/534881459.db2.gz RTLVNCCGOKWYEJ-MRXNPFEDSA-N 1 0 334.397 2.564 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000245465364 525959890 /nfs/dbraw/zinc/95/98/90/525959890.db2.gz YJXHBHAKJLDATQ-OLZOCXBDSA-N 1 0 335.429 2.625 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341366479 534899043 /nfs/dbraw/zinc/89/90/43/534899043.db2.gz HPDDGYKMNPOLKH-AWEZNQCLSA-N 1 0 325.796 2.739 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000343556995 534906234 /nfs/dbraw/zinc/90/62/34/534906234.db2.gz SNIIVTNQPZOQEI-JSGCOSHPSA-N 1 0 337.395 2.828 20 5 EFBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081290083 526203407 /nfs/dbraw/zinc/20/34/07/526203407.db2.gz PHZONMPZQVHTLN-MRXNPFEDSA-N 1 0 331.416 2.898 20 5 EFBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCCC1 ZINC000153229856 526475856 /nfs/dbraw/zinc/47/58/56/526475856.db2.gz OUQGMGBUMCXJKB-UHFFFAOYSA-N 1 0 331.416 2.962 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000193860437 526485351 /nfs/dbraw/zinc/48/53/51/526485351.db2.gz IBVCINXVUIPXQI-ZDUSSCGKSA-N 1 0 343.387 2.526 20 5 EFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000193771815 526537639 /nfs/dbraw/zinc/53/76/39/526537639.db2.gz YGCPWQKOOJEVCH-INIZCTEOSA-N 1 0 339.395 2.847 20 5 EFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000193776899 526538869 /nfs/dbraw/zinc/53/88/69/526538869.db2.gz DADCGALLNGLTLX-INIZCTEOSA-N 1 0 339.395 2.847 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237148249 536458157 /nfs/dbraw/zinc/45/81/57/536458157.db2.gz FGLPTVFYJWXOPL-ZDUSSCGKSA-N 1 0 346.412 2.542 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183653077 526615196 /nfs/dbraw/zinc/61/51/96/526615196.db2.gz NEODERXRNJOLGO-CYBMUJFWSA-N 1 0 343.811 2.573 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000181478472 526617458 /nfs/dbraw/zinc/61/74/58/526617458.db2.gz DWHOMXFCPDJBQX-CYBMUJFWSA-N 1 0 334.376 2.532 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238026073 526694104 /nfs/dbraw/zinc/69/41/04/526694104.db2.gz JBFNMOJKVYHRMI-UHFFFAOYSA-N 1 0 339.395 2.532 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246170505 527045993 /nfs/dbraw/zinc/04/59/93/527045993.db2.gz RUIXTKNUMMHSMQ-HIFRSBDPSA-N 1 0 335.429 2.554 20 5 EFBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000064337793 527050503 /nfs/dbraw/zinc/05/05/03/527050503.db2.gz QJDVSOHADLJTIR-UHFFFAOYSA-N 1 0 325.368 2.863 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000159220191 527227655 /nfs/dbraw/zinc/22/76/55/527227655.db2.gz UUVHQKMPCCNQME-INIZCTEOSA-N 1 0 340.383 2.806 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c2c(c1)COCO2 ZINC000193852356 527329967 /nfs/dbraw/zinc/32/99/67/527329967.db2.gz QNIWDBLLSXETKN-GFCCVEGCSA-N 1 0 344.371 2.564 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nnc[nH]3)s2)cc1 ZINC000119132884 527342685 /nfs/dbraw/zinc/34/26/85/527342685.db2.gz YAEDPNQRWBHFIW-UHFFFAOYSA-N 1 0 329.385 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000089892673 527342771 /nfs/dbraw/zinc/34/27/71/527342771.db2.gz RUHODRXIAAIMRI-KRWDZBQOSA-N 1 0 342.399 2.920 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)o2)cc1 ZINC000152887916 527344662 /nfs/dbraw/zinc/34/46/62/527344662.db2.gz FQLOZEFACZILAK-UKRRQHHQSA-N 1 0 344.371 2.646 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[N@@H+]4CCC[C@H]4C3)o2)c1 ZINC000246724565 527382178 /nfs/dbraw/zinc/38/21/78/527382178.db2.gz VMEKZMVCLSFXCD-INIZCTEOSA-N 1 0 342.399 2.572 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004359 527442671 /nfs/dbraw/zinc/44/26/71/527442671.db2.gz DKLZLPYHEYFPQH-ZDUSSCGKSA-N 1 0 332.379 2.922 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003486 527444482 /nfs/dbraw/zinc/44/44/82/527444482.db2.gz JZOQZIIONZNGTJ-OAHLLOKOSA-N 1 0 344.415 2.662 20 5 EFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066388402 527490126 /nfs/dbraw/zinc/49/01/26/527490126.db2.gz OHWQRUIQMNYMPG-GOSISDBHSA-N 1 0 339.395 2.747 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000038583291 527609486 /nfs/dbraw/zinc/60/94/86/527609486.db2.gz YIOOZBDTBNIVAL-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO CC(C)[NH2+]C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000171691956 527733854 /nfs/dbraw/zinc/73/38/54/527733854.db2.gz OUVYOFAGFZUQBX-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174535011 527816085 /nfs/dbraw/zinc/81/60/85/527816085.db2.gz SJQWLXFHRPCOFT-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000174474401 527834105 /nfs/dbraw/zinc/83/41/05/527834105.db2.gz BOAJXRZIAWJAAL-CYBMUJFWSA-N 1 0 346.431 2.583 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174535025 527834114 /nfs/dbraw/zinc/83/41/14/527834114.db2.gz SJQWLXFHRPCOFT-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177817071 527896091 /nfs/dbraw/zinc/89/60/91/527896091.db2.gz DXHWLGMWAYPCEG-OLZOCXBDSA-N 1 0 337.807 2.947 20 5 EFBDRO CCC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178521491 528219794 /nfs/dbraw/zinc/21/97/94/528219794.db2.gz TXOCGIWKMZRMRG-SFHVURJKSA-N 1 0 335.448 2.872 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000174122894 528257003 /nfs/dbraw/zinc/25/70/03/528257003.db2.gz AYPBVKDBDRMDKB-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000174158604 528283026 /nfs/dbraw/zinc/28/30/26/528283026.db2.gz VXHXLXMSDDGUBL-KRWDZBQOSA-N 1 0 348.447 2.730 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000188885490 528441365 /nfs/dbraw/zinc/44/13/65/528441365.db2.gz GLUAUWPBHJPZOC-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153041340 528509276 /nfs/dbraw/zinc/50/92/76/528509276.db2.gz WXIBGTXXXRBAPQ-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181290049 528512280 /nfs/dbraw/zinc/51/22/80/528512280.db2.gz NOYJHXMPNXWBPF-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000154673118 528529603 /nfs/dbraw/zinc/52/96/03/528529603.db2.gz XJTJHWPXZULYJO-CYBMUJFWSA-N 1 0 344.415 2.849 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154220154 528595133 /nfs/dbraw/zinc/59/51/33/528595133.db2.gz WPHVRXRDUJTXGI-UKRRQHHQSA-N 1 0 338.404 2.840 20 5 EFBDRO CCOc1ccccc1[C@H](CC)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179733907 528761020 /nfs/dbraw/zinc/76/10/20/528761020.db2.gz JWJZIKHOAYWFGP-INIZCTEOSA-N 1 0 345.399 2.896 20 5 EFBDRO CCOC(=O)C[C@@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000186704736 528883005 /nfs/dbraw/zinc/88/30/05/528883005.db2.gz LAMGSJCZMMEQJC-NVXWUHKLSA-N 1 0 338.404 2.586 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000412248998 534941288 /nfs/dbraw/zinc/94/12/88/534941288.db2.gz CCXRCCOUHFRBBG-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412120653 534942734 /nfs/dbraw/zinc/94/27/34/534942734.db2.gz DUGVLCUYDZYSNC-ZFWWWQNUSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000412248103 534944431 /nfs/dbraw/zinc/94/44/31/534944431.db2.gz KUASJZUTFBWFEH-XJKSGUPXSA-N 1 0 347.415 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412182376 534949520 /nfs/dbraw/zinc/94/95/20/534949520.db2.gz JTRSIHYJORCMFI-SWLSCSKDSA-N 1 0 347.415 2.595 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412182370 534952171 /nfs/dbraw/zinc/95/21/71/534952171.db2.gz JTRSIHYJORCMFI-DOMZBBRYSA-N 1 0 347.415 2.595 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412193227 535051540 /nfs/dbraw/zinc/05/15/40/535051540.db2.gz AENXQRFZBPPCSK-DLBZAZTESA-N 1 0 333.432 2.745 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000355855005 535060318 /nfs/dbraw/zinc/06/03/18/535060318.db2.gz IBBUSJZOJDXAPS-UHFFFAOYSA-N 1 0 325.384 2.925 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418797070 535093253 /nfs/dbraw/zinc/09/32/53/535093253.db2.gz UOTPCLLKKYVPRL-CABCVRRESA-N 1 0 334.420 2.642 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347296345 535132513 /nfs/dbraw/zinc/13/25/13/535132513.db2.gz ZTWOXGJFTGZZID-LBPRGKRZSA-N 1 0 338.383 2.833 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417985208 535354295 /nfs/dbraw/zinc/35/42/95/535354295.db2.gz GTPOOJBUBKOMRZ-ZDUSSCGKSA-N 1 0 342.827 2.607 20 5 EFBDRO CC(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1[N+](=O)[O-] ZINC000425368658 535371219 /nfs/dbraw/zinc/37/12/19/535371219.db2.gz FPEBPJMJDMZKEQ-UHFFFAOYSA-N 1 0 346.431 2.708 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000439879516 535429701 /nfs/dbraw/zinc/42/97/01/535429701.db2.gz GTSIBLIQQDFLMT-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000264152051 535465757 /nfs/dbraw/zinc/46/57/57/535465757.db2.gz ZOTRXRAERKAYPF-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO CCOc1cccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346281495 535469221 /nfs/dbraw/zinc/46/92/21/535469221.db2.gz VFZZPTQBYHLXLD-KBPBESRZSA-N 1 0 337.420 2.905 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347776215 535488623 /nfs/dbraw/zinc/48/86/23/535488623.db2.gz LCPPDXHZJAECQJ-CQSZACIVSA-N 1 0 331.372 2.945 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266505856 535522950 /nfs/dbraw/zinc/52/29/50/535522950.db2.gz BWSBXMGKQMMSJL-XOKHGSTOSA-N 1 0 334.416 2.908 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345032476 535592216 /nfs/dbraw/zinc/59/22/16/535592216.db2.gz LQTBNPMCQNTSBM-HIFRSBDPSA-N 1 0 348.447 2.807 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359530987 535719182 /nfs/dbraw/zinc/71/91/82/535719182.db2.gz JMUXMPOKCSBUKK-UHFFFAOYSA-N 1 0 348.447 2.921 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266379935 535755112 /nfs/dbraw/zinc/75/51/12/535755112.db2.gz HVTBNCOYHLECHV-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359536552 535775376 /nfs/dbraw/zinc/77/53/76/535775376.db2.gz XELCIRAKQDQMNE-CHWSQXEVSA-N 1 0 334.420 2.527 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000414124019 535804038 /nfs/dbraw/zinc/80/40/38/535804038.db2.gz BQTJADXJILWWST-HUUCEWRRSA-N 1 0 340.445 2.783 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000248425157 535863928 /nfs/dbraw/zinc/86/39/28/535863928.db2.gz NUXNLHOSOXBIDF-GXTWGEPZSA-N 1 0 341.839 2.525 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC1(C)C ZINC000419324266 535896447 /nfs/dbraw/zinc/89/64/47/535896447.db2.gz VKYFOXIXLNZGSP-OLZOCXBDSA-N 1 0 335.404 2.956 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2ncccc2[N+](=O)[O-])cc1 ZINC000264077018 535903704 /nfs/dbraw/zinc/90/37/04/535903704.db2.gz HGWNVLBXLLPYLP-UHFFFAOYSA-N 1 0 330.388 2.585 20 5 EFBDRO CC[C@]1(C)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355729777 535911104 /nfs/dbraw/zinc/91/11/04/535911104.db2.gz GFHVLVDJCSIKMC-QGZVFWFLSA-N 1 0 336.388 2.769 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343748545 536105325 /nfs/dbraw/zinc/10/53/25/536105325.db2.gz IAWHJKBHZBKLBJ-DZGCQCFKSA-N 1 0 345.399 2.643 20 5 EFBDRO C[NH+](C)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000418118055 536113095 /nfs/dbraw/zinc/11/30/95/536113095.db2.gz VBWCEHXGHDFSTD-UHFFFAOYSA-N 1 0 332.429 2.902 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358232419 536363771 /nfs/dbraw/zinc/36/37/71/536363771.db2.gz CKZGQJBXLWGBGA-ORQFMDKSSA-N 1 0 345.443 2.810 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000356315892 536381610 /nfs/dbraw/zinc/38/16/10/536381610.db2.gz SGKRWGSEAKXHHJ-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000413437969 536385828 /nfs/dbraw/zinc/38/58/28/536385828.db2.gz KWVXXHJSZSEUHT-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000356259123 536392975 /nfs/dbraw/zinc/39/29/75/536392975.db2.gz WTJPHPRYGZFLKV-KRWDZBQOSA-N 1 0 349.456 2.631 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266356701 536434598 /nfs/dbraw/zinc/43/45/98/536434598.db2.gz DFGJZSSYJHFUKN-HNNXBMFYSA-N 1 0 342.399 2.517 20 5 EFBDRO COC(=O)COc1ccc(CNc2cc(C)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000352317277 536477160 /nfs/dbraw/zinc/47/71/60/536477160.db2.gz FMTUTXYTNAWXTP-UHFFFAOYSA-N 1 0 345.355 2.771 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC[C@@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000346086810 536896099 /nfs/dbraw/zinc/89/60/99/536896099.db2.gz UUQUGBZAQRAMIS-GFCCVEGCSA-N 1 0 331.372 2.787 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344725628 536951072 /nfs/dbraw/zinc/95/10/72/536951072.db2.gz GZDKYXVQCUSABT-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000673529833 547911111 /nfs/dbraw/zinc/91/11/11/547911111.db2.gz DHPBRNDDKQAMEZ-INIZCTEOSA-N 1 0 349.434 2.575 20 5 EFBDRO CC[N@@H+]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079375 575386441 /nfs/dbraw/zinc/38/64/41/575386441.db2.gz GTVNCALETNZWGX-SNVBAGLBSA-N 1 0 341.795 2.565 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccccc2Cl)cc1 ZINC000754250189 575410674 /nfs/dbraw/zinc/41/06/74/575410674.db2.gz FEKZPZCJNNFFIO-OAHLLOKOSA-N 1 0 336.775 2.950 20 5 EFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000754251500 575410692 /nfs/dbraw/zinc/41/06/92/575410692.db2.gz URJRXMYTNHZHJM-KRWDZBQOSA-N 1 0 330.384 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2cccc(Cl)c2)cc1 ZINC000754251395 575410728 /nfs/dbraw/zinc/41/07/28/575410728.db2.gz SLWTWEXPZGBLCT-MRXNPFEDSA-N 1 0 336.775 2.950 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000754250162 575410739 /nfs/dbraw/zinc/41/07/39/575410739.db2.gz CXAILZNDTCUMGC-BDJLRTHQSA-N 1 0 326.356 2.855 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382081 575427968 /nfs/dbraw/zinc/42/79/68/575427968.db2.gz FGHWLCMHNQTJJC-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754384065 575428909 /nfs/dbraw/zinc/42/89/09/575428909.db2.gz GCOLGGQGTDCSNZ-GFCCVEGCSA-N 1 0 349.412 2.617 20 5 EFBDRO COCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000754547522 575450465 /nfs/dbraw/zinc/45/04/65/575450465.db2.gz WGPFKAHBNULHCG-HOTGVXAUSA-N 1 0 334.372 2.897 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000754568709 575454015 /nfs/dbraw/zinc/45/40/15/575454015.db2.gz ODHPGRCGXUJHQR-WDEREUQCSA-N 1 0 341.795 2.591 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000755394815 575582127 /nfs/dbraw/zinc/58/21/27/575582127.db2.gz MYUUXSIRWHVKIM-AWEZNQCLSA-N 1 0 348.472 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000759935086 575957905 /nfs/dbraw/zinc/95/79/05/575957905.db2.gz COGNIZMKCCFHKM-SFHVURJKSA-N 1 0 327.384 2.903 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759997646 575969868 /nfs/dbraw/zinc/96/98/68/575969868.db2.gz DMEZOMMPLLJUDR-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO CN1CCCC[C@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760523310 576040072 /nfs/dbraw/zinc/04/00/72/576040072.db2.gz YQVIWQBAURHOKN-HNNXBMFYSA-N 1 0 345.355 2.777 20 5 EFBDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000763523895 576380087 /nfs/dbraw/zinc/38/00/87/576380087.db2.gz KANIVDYSCZVFHO-SMDDNHRTSA-N 1 0 348.355 2.561 20 5 EFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000763629767 576383280 /nfs/dbraw/zinc/38/32/80/576383280.db2.gz SJCWQHBBSLJMOP-YOEHRIQHSA-N 1 0 342.395 2.954 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000764197300 576440640 /nfs/dbraw/zinc/44/06/40/576440640.db2.gz IRTFJGCCAXMFEO-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnc2ccccn21 ZINC000764639076 576483418 /nfs/dbraw/zinc/48/34/18/576483418.db2.gz CDMTVWJOHXAEPZ-CQSZACIVSA-N 1 0 339.399 2.791 20 5 EFBDRO CCOC(=O)CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764923445 576524054 /nfs/dbraw/zinc/52/40/54/576524054.db2.gz BEZZLDCNCLFHAY-UHFFFAOYSA-N 1 0 346.387 2.628 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000764967905 576530055 /nfs/dbraw/zinc/53/00/55/576530055.db2.gz ZAIPNFHYNZUJHE-MOPGFXCFSA-N 1 0 344.459 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000764967906 576530241 /nfs/dbraw/zinc/53/02/41/576530241.db2.gz ZAIPNFHYNZUJHE-OALUTQOASA-N 1 0 344.459 2.780 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764992486 576533856 /nfs/dbraw/zinc/53/38/56/576533856.db2.gz YQSQRXZEVXNBSM-MRXNPFEDSA-N 1 0 343.431 2.771 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764992485 576533881 /nfs/dbraw/zinc/53/38/81/576533881.db2.gz YQSQRXZEVXNBSM-INIZCTEOSA-N 1 0 343.431 2.771 20 5 EFBDRO Cc1nccn1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765144568 577012589 /nfs/dbraw/zinc/01/25/89/577012589.db2.gz WMKZXMRGUZCDQR-UHFFFAOYSA-N 1 0 343.431 2.748 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000765490780 577046484 /nfs/dbraw/zinc/04/64/84/577046484.db2.gz WVGFMINTJCVTQN-VIFPVBQESA-N 1 0 329.784 2.787 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000765747599 577072170 /nfs/dbraw/zinc/07/21/70/577072170.db2.gz ZCMJZKSLUCTNHV-HOCLYGCPSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765756209 577073268 /nfs/dbraw/zinc/07/32/68/577073268.db2.gz BOUMXVSSILRKQA-ZDUSSCGKSA-N 1 0 343.431 2.956 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000765848572 577082692 /nfs/dbraw/zinc/08/26/92/577082692.db2.gz HPJXZEDQXKGLCG-PCJQFBCGSA-N 1 0 348.424 2.716 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000766143084 577113898 /nfs/dbraw/zinc/11/38/98/577113898.db2.gz QRMHWQNJJRGSEU-QGZVFWFLSA-N 1 0 345.399 2.788 20 5 EFBDRO C[C@@H]1CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766267091 577129291 /nfs/dbraw/zinc/12/92/91/577129291.db2.gz DVKXLANKRXDFGX-OAHLLOKOSA-N 1 0 332.448 2.638 20 5 EFBDRO C[NH+](C)CCCC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000766444058 577150777 /nfs/dbraw/zinc/15/07/77/577150777.db2.gz XZZGKIHEVHCQSU-UHFFFAOYSA-N 1 0 331.420 2.801 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C)(O)CC1 ZINC000766481407 577157085 /nfs/dbraw/zinc/15/70/85/577157085.db2.gz ZYAVAIDLSCECEZ-MKQDKFQKSA-N 1 0 335.404 2.595 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000766555037 577166122 /nfs/dbraw/zinc/16/61/22/577166122.db2.gz IBKUPEDMYFHTDI-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583495 577168908 /nfs/dbraw/zinc/16/89/08/577168908.db2.gz WNLUHZZLYNZOSX-GJZGRUSLSA-N 1 0 333.432 2.968 20 5 EFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000766947690 577189348 /nfs/dbraw/zinc/18/93/48/577189348.db2.gz ZWQFSDIEXANCOL-PBHICJAKSA-N 1 0 348.378 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767190653 577199384 /nfs/dbraw/zinc/19/93/84/577199384.db2.gz ZQKQKMGSVTXUGZ-UHFFFAOYSA-N 1 0 338.820 2.883 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(CC)CC ZINC000768098101 577254338 /nfs/dbraw/zinc/25/43/38/577254338.db2.gz RPSGBGZPLONBTN-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768711956 577296642 /nfs/dbraw/zinc/29/66/42/577296642.db2.gz KYCWDXUSVCEOCS-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(c3)COC4)C2)nc1 ZINC000769464327 577363904 /nfs/dbraw/zinc/36/39/04/577363904.db2.gz VHKNTSBYUUSGQW-INIZCTEOSA-N 1 0 340.383 2.706 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000726607254 577374713 /nfs/dbraw/zinc/37/47/13/577374713.db2.gz LOEBPDUPLPWAOJ-AWEZNQCLSA-N 1 0 345.399 2.665 20 5 EFBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000770221502 577407621 /nfs/dbraw/zinc/40/76/21/577407621.db2.gz CLCDPIHPNZSYEW-GFCCVEGCSA-N 1 0 349.460 2.642 20 5 EFBDRO CC[N@H+](CCC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000770685136 581125609 /nfs/dbraw/zinc/12/56/09/581125609.db2.gz KEZQUDCOQQKETO-UHFFFAOYSA-N 1 0 335.452 2.583 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000771187373 581185560 /nfs/dbraw/zinc/18/55/60/581185560.db2.gz RAHUGMWNJGMNHG-LLVKDONJSA-N 1 0 329.347 2.974 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000773259823 581411063 /nfs/dbraw/zinc/41/10/63/581411063.db2.gz XOVRGWYVOCIIII-ZDUSSCGKSA-N 1 0 335.433 2.884 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000774040243 581479977 /nfs/dbraw/zinc/47/99/77/581479977.db2.gz WDTKDONAMSOSAQ-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2ccc(F)cc2)n1 ZINC000774115892 581484108 /nfs/dbraw/zinc/48/41/08/581484108.db2.gz KURBOBFWQXPMTJ-XHSDSOJGSA-N 1 0 348.378 2.737 20 5 EFBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000774151045 581485749 /nfs/dbraw/zinc/48/57/49/581485749.db2.gz OBIMJUWNLMENJB-SFHVURJKSA-N 1 0 339.395 2.878 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CSCCS2)n1 ZINC000774220433 581487474 /nfs/dbraw/zinc/48/74/74/581487474.db2.gz YJJSRNOCTAIGKP-JHJVBQTASA-N 1 0 342.490 2.713 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000774224037 581487553 /nfs/dbraw/zinc/48/75/53/581487553.db2.gz GRRLFHZLBKYXAR-ZFWWWQNUSA-N 1 0 345.359 2.973 20 5 EFBDRO Cc1ncc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000774266937 581488418 /nfs/dbraw/zinc/48/84/18/581488418.db2.gz SRNQBNKTVBYAFU-UONOGXRCSA-N 1 0 335.433 2.872 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@H]([NH+]4CC=CC4)C3)c2c(Cl)c1 ZINC000774636117 581495939 /nfs/dbraw/zinc/49/59/39/581495939.db2.gz LJHTVQZKNJTOEI-ZDUSSCGKSA-N 1 0 347.806 2.502 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822229285 606484975 /nfs/dbraw/zinc/48/49/75/606484975.db2.gz QZGHCXZPVFLHRH-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO CC(C)CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001754976372 1249380069 /nfs/dbraw/zinc/38/00/69/1249380069.db2.gz FGJPQIKASURJCK-UHFFFAOYSA-N 1 0 325.434 2.831 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850424823 1250481064 /nfs/dbraw/zinc/48/10/64/1250481064.db2.gz MAZKJXWKIINQGQ-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000850438192 1250487137 /nfs/dbraw/zinc/48/71/37/1250487137.db2.gz WLKRMGBHDJMKDZ-SAHAZLINSA-N 1 0 328.434 2.801 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000850438190 1250487427 /nfs/dbraw/zinc/48/74/27/1250487427.db2.gz WLKRMGBHDJMKDZ-KPWVOAKYSA-N 1 0 328.434 2.801 20 5 EFBDRO CCCN1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557872 1250535996 /nfs/dbraw/zinc/53/59/96/1250535996.db2.gz ZOKHJZMOYWOPCL-MRXNPFEDSA-N 1 0 332.448 2.638 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107220907 1255379973 /nfs/dbraw/zinc/37/99/73/1255379973.db2.gz XZUKEHWNYGUPFK-NSCUHMNNSA-N 1 0 346.431 2.555 20 5 EFBDRO Cc1cc(NC/C=C\CNC(=O)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107269428 1255486220 /nfs/dbraw/zinc/48/62/20/1255486220.db2.gz PCZDICGAZPBFAM-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(F)CCCC1 ZINC000996742484 1255935733 /nfs/dbraw/zinc/93/57/33/1255935733.db2.gz CSUOIJBFRZTTJN-UHFFFAOYSA-N 1 0 349.406 2.958 20 5 EFBDRO CC1(CC(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000996813280 1256132499 /nfs/dbraw/zinc/13/24/99/1256132499.db2.gz FQJSHDNNVIGTFV-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO Cc1coc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000996896776 1256396650 /nfs/dbraw/zinc/39/66/50/1256396650.db2.gz UMBWAXIUQWXRPD-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922465807 1266093309 /nfs/dbraw/zinc/09/33/09/1266093309.db2.gz HEKNMOMGWGJBPD-CJNGLKHVSA-N 1 0 334.420 2.829 20 5 EFBDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000921564114 1257462483 /nfs/dbraw/zinc/46/24/83/1257462483.db2.gz OXCLMZGVIHPCMC-ZDUSSCGKSA-N 1 0 344.367 2.825 20 5 EFBDRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997470334 1257667547 /nfs/dbraw/zinc/66/75/47/1257667547.db2.gz KVDFWJQGOQMEJD-UHFFFAOYSA-N 1 0 347.387 2.640 20 5 EFBDRO CC(C)=CC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997495276 1257790349 /nfs/dbraw/zinc/79/03/49/1257790349.db2.gz MHNZCVSWBNBLLR-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO O=C(c1ccoc1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997541421 1257926104 /nfs/dbraw/zinc/92/61/04/1257926104.db2.gz ZIYFPPUROWHHDG-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO O=C(c1ccc[nH]1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997541304 1257926439 /nfs/dbraw/zinc/92/64/39/1257926439.db2.gz XJNDZHGXDOJYGG-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843057504 1258393100 /nfs/dbraw/zinc/39/31/00/1258393100.db2.gz IWASMQLFGYEHGU-VHSXEESVSA-N 1 0 328.210 2.526 20 5 EFBDRO O=C(C1CC1)N1CC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946434351 1258769375 /nfs/dbraw/zinc/76/93/75/1258769375.db2.gz PRSPICLZGCEKFV-GASCZTMLSA-N 1 0 349.456 2.737 20 5 EFBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093304264 1266353590 /nfs/dbraw/zinc/35/35/90/1266353590.db2.gz VNRDFHZVPSPLJU-KXBFYZLASA-N 1 0 344.411 2.901 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089943599 1260819989 /nfs/dbraw/zinc/81/99/89/1260819989.db2.gz JVIYWTUKODQSHO-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1scc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001128116156 1261254958 /nfs/dbraw/zinc/25/49/58/1261254958.db2.gz FMGMGPNRZSACPO-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922591973 1266397492 /nfs/dbraw/zinc/39/74/92/1266397492.db2.gz JWPBTTMXOMEJSO-JMPLCFMRSA-N 1 0 333.432 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923358900 1261545114 /nfs/dbraw/zinc/54/51/14/1261545114.db2.gz MIWYOYXVZXWXHM-QMTHXVAHSA-N 1 0 340.221 2.541 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001170156032 1278154614 /nfs/dbraw/zinc/15/46/14/1278154614.db2.gz UVJPYJZZLYRIBQ-UHFFFAOYSA-N 1 0 337.395 2.863 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164460361 1263077986 /nfs/dbraw/zinc/07/79/86/1263077986.db2.gz BUKRNQZPEQCWDK-IUCAKERBSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001128294550 1264173653 /nfs/dbraw/zinc/17/36/53/1264173653.db2.gz SUEHWQRRKQWDAK-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CC1(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001003444606 1264760212 /nfs/dbraw/zinc/76/02/12/1264760212.db2.gz STFICGXKQCESSM-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccc(Br)cc21 ZINC001230776107 1264817922 /nfs/dbraw/zinc/81/79/22/1264817922.db2.gz DJNRWARXXUEZMJ-VIFPVBQESA-O 1 0 341.229 2.571 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CC2(CC2)C1 ZINC001003600347 1264938165 /nfs/dbraw/zinc/93/81/65/1264938165.db2.gz ZNUBBJKHGFGLNX-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000822362638 1265080264 /nfs/dbraw/zinc/08/02/64/1265080264.db2.gz ONLDNYGZIZRKAG-WPRPVWTQSA-N 1 0 329.759 2.600 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000733271975 1265138967 /nfs/dbraw/zinc/13/89/67/1265138967.db2.gz BKEYZWKCKTYPLB-CLOOOTJHSA-N 1 0 331.416 2.989 20 5 EFBDRO COc1cc(C[NH2+]CCc2nc3c(s2)CCC3)c([N+](=O)[O-])cc1O ZINC000922718701 1266649548 /nfs/dbraw/zinc/64/95/48/1266649548.db2.gz XODXTIGGXUKFAY-UHFFFAOYSA-N 1 0 349.412 2.587 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000828139878 1267612020 /nfs/dbraw/zinc/61/20/20/1267612020.db2.gz OXOIXEMFTYWZRY-LLVKDONJSA-N 1 0 341.770 2.601 20 5 EFBDRO CN1CCN(C(=[NH2+])Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001168741306 1267700235 /nfs/dbraw/zinc/70/02/35/1267700235.db2.gz WSHPWWQIVXNBPS-UHFFFAOYSA-N 1 0 339.399 2.856 20 5 EFBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738082234 1268321480 /nfs/dbraw/zinc/32/14/80/1268321480.db2.gz PKSCGBCFVOLHHQ-CQSZACIVSA-N 1 0 330.388 2.774 20 5 EFBDRO CN(C(=O)c1ccoc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005111846 1268870396 /nfs/dbraw/zinc/87/03/96/1268870396.db2.gz OZSZQEKJEGNSHC-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C ZINC000740870222 1269144611 /nfs/dbraw/zinc/14/46/11/1269144611.db2.gz BJOTZNKBTZBAAT-TZMCWYRMSA-N 1 0 346.431 2.789 20 5 EFBDRO COc1ccc(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000741019160 1269251947 /nfs/dbraw/zinc/25/19/47/1269251947.db2.gz TYNNLPDWVJEORZ-XQQFMLRXSA-N 1 0 336.388 2.908 20 5 EFBDRO C[C@@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000741028221 1269262032 /nfs/dbraw/zinc/26/20/32/1269262032.db2.gz FBXJAQPCTQEUOS-AWEZNQCLSA-N 1 0 336.388 2.781 20 5 EFBDRO C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000741029231 1269263366 /nfs/dbraw/zinc/26/33/66/1269263366.db2.gz NGRQZAZUSZIXPJ-AWEZNQCLSA-N 1 0 336.388 2.781 20 5 EFBDRO COc1ccc(COC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000741029732 1269264464 /nfs/dbraw/zinc/26/44/64/1269264464.db2.gz RNEVVEGLKAJUBS-ZDUSSCGKSA-N 1 0 336.388 2.911 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001086014918 1269527849 /nfs/dbraw/zinc/52/78/49/1269527849.db2.gz MRSHCXDOSMVWMU-JNSHFYNHSA-N 1 0 345.424 2.955 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741752268 1269687064 /nfs/dbraw/zinc/68/70/64/1269687064.db2.gz NXANQBSHHCIMFO-ONGXEEELSA-N 1 0 326.784 2.852 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086056754 1269709125 /nfs/dbraw/zinc/70/91/25/1269709125.db2.gz FMUCSVCAVFZSMC-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000742239978 1269952920 /nfs/dbraw/zinc/95/29/20/1269952920.db2.gz PFLXGFJZZVBFOE-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000742393453 1270020998 /nfs/dbraw/zinc/02/09/98/1270020998.db2.gz MCXTWIKCMQERTN-QWHCGFSZSA-N 1 0 346.387 2.590 20 5 EFBDRO Cc1c(Br)cc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000792049450 1278540173 /nfs/dbraw/zinc/54/01/73/1278540173.db2.gz LDIAVYFHZWBWPS-UHFFFAOYSA-N 1 0 345.193 2.774 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086172385 1270342163 /nfs/dbraw/zinc/34/21/63/1270342163.db2.gz WGVWXGWKZWJLEI-DQWFCTHYSA-N 1 0 343.427 2.625 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171091694 1278574134 /nfs/dbraw/zinc/57/41/34/1278574134.db2.gz SUNPQZDYHZTVHX-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO COc1ccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc1[N+](=O)[O-] ZINC001171092109 1278586394 /nfs/dbraw/zinc/58/63/94/1278586394.db2.gz YGINSMAOJKESAJ-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086337671 1271055252 /nfs/dbraw/zinc/05/52/52/1271055252.db2.gz FMUCSVCAVFZSMC-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000843883669 1278632138 /nfs/dbraw/zinc/63/21/38/1278632138.db2.gz JEDXRPVTKPHSAV-WCQYABFASA-N 1 0 335.379 2.741 20 5 EFBDRO COc1cnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC001171094829 1278640221 /nfs/dbraw/zinc/64/02/21/1278640221.db2.gz KGSBBRMNPCJOST-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000843897221 1278643638 /nfs/dbraw/zinc/64/36/38/1278643638.db2.gz HTHWFDZQXXDKCF-LLVKDONJSA-N 1 0 335.379 2.599 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CC2)C1 ZINC001086474194 1271676679 /nfs/dbraw/zinc/67/66/79/1271676679.db2.gz QJUUUSBLGYYDJS-SAZUREKKSA-N 1 0 343.427 2.769 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CC2)C1 ZINC001086474350 1271679236 /nfs/dbraw/zinc/67/92/36/1271679236.db2.gz ZGUIFQXFJMWTKF-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO Cn1cc(C[NH2+]C2CCC(C)(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000749295900 1272161235 /nfs/dbraw/zinc/16/12/35/1272161235.db2.gz LQAJOGGIHFRAMP-UHFFFAOYSA-N 1 0 344.415 2.779 20 5 EFBDRO Cc1ncn(-c2ncc(C(C)(C)C)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168783125 1272270461 /nfs/dbraw/zinc/27/04/61/1272270461.db2.gz AUQJLHGVQYTNCH-UHFFFAOYSA-N 1 0 349.460 2.973 20 5 EFBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168976264 1272546577 /nfs/dbraw/zinc/54/65/77/1272546577.db2.gz CDYPMNVSXKOWPX-GWCFXTLKSA-N 1 0 330.306 2.923 20 5 EFBDRO CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977395 1272548130 /nfs/dbraw/zinc/54/81/30/1272548130.db2.gz BEUKQYGPSCDYKU-OAGGEKHMSA-N 1 0 327.469 2.598 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978918 1272549263 /nfs/dbraw/zinc/54/92/63/1272549263.db2.gz VJFRAKRTDQZWBZ-KBUPBQIOSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168979904 1272549278 /nfs/dbraw/zinc/54/92/78/1272549278.db2.gz CAYCLEKZZHXVBU-ZIAGYGMSSA-N 1 0 341.452 2.859 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956957 1272554906 /nfs/dbraw/zinc/55/49/06/1272554906.db2.gz CZXUJMRHWFOHCC-QLFBSQMISA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Br)cc3C2)C1 ZINC001168964421 1272557846 /nfs/dbraw/zinc/55/78/46/1272557846.db2.gz SGYKAQMCLXQWJA-KMUNFCNLSA-N 1 0 339.233 2.951 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168963668 1272557881 /nfs/dbraw/zinc/55/78/81/1272557881.db2.gz PLZVRSYEJIJPFV-QLFBSQMISA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC001168964971 1272558430 /nfs/dbraw/zinc/55/84/30/1272558430.db2.gz WXFBPSKIOIWUAP-LERXQTSPSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964704 1272558494 /nfs/dbraw/zinc/55/84/94/1272558494.db2.gz VJFRAKRTDQZWBZ-XQLPTFJDSA-N 1 0 341.452 2.857 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3F)CCOCC2)C1 ZINC001168966564 1272558969 /nfs/dbraw/zinc/55/89/69/1272558969.db2.gz JMWJDMYOXHGELG-CABCVRRESA-N 1 0 336.407 2.909 20 5 EFBDRO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967520 1272558989 /nfs/dbraw/zinc/55/89/89/1272558989.db2.gz QIANFVRWSGOTMR-WMZOPIPTSA-N 1 0 347.459 2.695 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168973869 1272564088 /nfs/dbraw/zinc/56/40/88/1272564088.db2.gz OYPFVYFJUOWRJS-YOEHRIQHSA-N 1 0 346.427 2.512 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168973540 1272564208 /nfs/dbraw/zinc/56/42/08/1272564208.db2.gz OYPFVYFJUOWRJS-RHSMWYFYSA-N 1 0 346.427 2.512 20 5 EFBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccc2ccccc2c1 ZINC001168991403 1272567812 /nfs/dbraw/zinc/56/78/12/1272567812.db2.gz GSBUTGZCKXYYJT-CJNGLKHVSA-N 1 0 327.384 2.813 20 5 EFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccc([N+](=O)[O-])cn1 ZINC001168992309 1272569864 /nfs/dbraw/zinc/56/98/64/1272569864.db2.gz UDVSLTKJKDOAKI-UHFFFAOYSA-N 1 0 331.763 2.873 20 5 EFBDRO COc1cccc(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996046 1272573496 /nfs/dbraw/zinc/57/34/96/1272573496.db2.gz UMNAMUKKMZGKFK-AEFFLSMTSA-N 1 0 347.459 2.695 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168997129 1272573900 /nfs/dbraw/zinc/57/39/00/1272573900.db2.gz BQVJSKXETJSKPZ-ISTRZQFTSA-N 1 0 332.400 2.886 20 5 EFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997952 1272574606 /nfs/dbraw/zinc/57/46/06/1272574606.db2.gz GTEVYEVTTAHJIN-HOTGVXAUSA-N 1 0 331.416 2.739 20 5 EFBDRO COCCOc1c(F)cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168998256 1272575556 /nfs/dbraw/zinc/57/55/56/1272575556.db2.gz KOHGBUDAGDVTNR-DGCLKSJQSA-N 1 0 344.358 2.525 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)C1 ZINC001169002753 1272578074 /nfs/dbraw/zinc/57/80/74/1272578074.db2.gz MFTPGZJQRFYUJH-GDLCADMTSA-N 1 0 343.221 2.518 20 5 EFBDRO [NH3+]Cc1cccc(Br)c1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004155 1272579449 /nfs/dbraw/zinc/57/94/49/1272579449.db2.gz QICSKZVHQOSHQD-GXSJLCMTSA-N 1 0 328.210 2.765 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC001169007425 1272581200 /nfs/dbraw/zinc/58/12/00/1272581200.db2.gz NQPWCQVTRIREFS-CHWSQXEVSA-N 1 0 325.359 2.532 20 5 EFBDRO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012424 1272584365 /nfs/dbraw/zinc/58/43/65/1272584365.db2.gz QAKHLYNOILAQRJ-UKRRQHHQSA-N 1 0 344.415 2.824 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169012313 1272584513 /nfs/dbraw/zinc/58/45/13/1272584513.db2.gz PBFGQPLAOQRGMU-KFWWJZLASA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011848 1272584994 /nfs/dbraw/zinc/58/49/94/1272584994.db2.gz MTVVVWVVGADXIA-CBBWQLFWSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169014025 1272585828 /nfs/dbraw/zinc/58/58/28/1272585828.db2.gz XYBOIXNFJIWCFU-ZNMIVQPWSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC001168987449 1272588269 /nfs/dbraw/zinc/58/82/69/1272588269.db2.gz IQANSEUMVOSEMB-BPNCWPANSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168988072 1272588387 /nfs/dbraw/zinc/58/83/87/1272588387.db2.gz NHICZNQOZQLZBO-MJBXVCDLSA-N 1 0 343.468 2.961 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168986760 1272588628 /nfs/dbraw/zinc/58/86/28/1272588628.db2.gz ZAOAXVVWMFDWCF-SOUVJXGZSA-N 1 0 341.452 2.669 20 5 EFBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990644 1272590167 /nfs/dbraw/zinc/59/01/67/1272590167.db2.gz CXIJGTYADGNPES-WMZOPIPTSA-N 1 0 345.443 2.574 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169028416 1272592516 /nfs/dbraw/zinc/59/25/16/1272592516.db2.gz RYEJZPHRRUPMCI-GOEBONIOSA-N 1 0 337.851 2.903 20 5 EFBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169030267 1272594387 /nfs/dbraw/zinc/59/43/87/1272594387.db2.gz XQZFYEMGPBXFCF-HDMKZQKVSA-N 1 0 334.416 2.984 20 5 EFBDRO CC[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169034581 1272596780 /nfs/dbraw/zinc/59/67/80/1272596780.db2.gz IAYMXWPTDIBTGT-ILXRZTDVSA-N 1 0 341.452 2.763 20 5 EFBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)Oc2ccccc21 ZINC001169033225 1272597310 /nfs/dbraw/zinc/59/73/10/1272597310.db2.gz BKWGPFAAQORKII-HUUCEWRRSA-N 1 0 344.411 2.932 20 5 EFBDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034914 1272598486 /nfs/dbraw/zinc/59/84/86/1272598486.db2.gz INOXOSDLIIHNRK-CBBWQLFWSA-N 1 0 341.452 2.809 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035620 1272599269 /nfs/dbraw/zinc/59/92/69/1272599269.db2.gz KWZDCEVOPLNIPT-KBPBESRZSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169037187 1272602963 /nfs/dbraw/zinc/60/29/63/1272602963.db2.gz RANPDWQISODZEL-WMZOPIPTSA-N 1 0 335.423 2.779 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169037556 1272604124 /nfs/dbraw/zinc/60/41/24/1272604124.db2.gz SMIBNSRVQDYCMB-DOTOQJQBSA-N 1 0 337.851 2.903 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC001169038953 1272605335 /nfs/dbraw/zinc/60/53/35/1272605335.db2.gz LTTRNYRBXRUYQD-UZLBHIALSA-N 1 0 343.471 2.955 20 5 EFBDRO CC(C)(C)OC(=O)CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038905 1272606460 /nfs/dbraw/zinc/60/64/60/1272606460.db2.gz LEKFWOCEMSMLEB-LSDHHAIUSA-N 1 0 326.437 2.876 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)OCCc2ccccc23)C1 ZINC001169040078 1272611225 /nfs/dbraw/zinc/61/12/25/1272611225.db2.gz XPNIHYZTJKPJRA-DOTOQJQBSA-N 1 0 330.428 2.996 20 5 EFBDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018509 1272617896 /nfs/dbraw/zinc/61/78/96/1272617896.db2.gz CVKROCBRDSORCF-KEYYUXOJSA-N 1 0 349.456 2.622 20 5 EFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccsc1 ZINC001169019219 1272618434 /nfs/dbraw/zinc/61/84/34/1272618434.db2.gz FSUYLAYFTBJDBC-ZQIUZPCESA-N 1 0 349.456 2.622 20 5 EFBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccsc1 ZINC001169019218 1272618646 /nfs/dbraw/zinc/61/86/46/1272618646.db2.gz FSUYLAYFTBJDBC-VBQJREDUSA-N 1 0 349.456 2.622 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001169026752 1272623736 /nfs/dbraw/zinc/62/37/36/1272623736.db2.gz NTMMYOJGUSZYQP-MAUKXSAKSA-N 1 0 326.400 2.924 20 5 EFBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026792 1272624351 /nfs/dbraw/zinc/62/43/51/1272624351.db2.gz ODDSULRPGDRSHZ-BZUAXINKSA-N 1 0 334.416 2.984 20 5 EFBDRO O=C(Nc1ccccc1)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046903 1272625416 /nfs/dbraw/zinc/62/54/16/1272625416.db2.gz OGLYXCXPERVOTQ-WMLDXEAASA-N 1 0 346.431 2.718 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169054250 1272631042 /nfs/dbraw/zinc/63/10/42/1272631042.db2.gz LHZMCKLXJMWOJA-SIXLDLHFSA-N 1 0 332.400 2.668 20 5 EFBDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054963 1272632014 /nfs/dbraw/zinc/63/20/14/1272632014.db2.gz OPUOYRZRZHDYKG-BMFZPTHFSA-N 1 0 344.415 2.554 20 5 EFBDRO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056793 1272632309 /nfs/dbraw/zinc/63/23/09/1272632309.db2.gz SOWAWFFDLTUABG-IIDMSEBBSA-N 1 0 335.423 2.950 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055328 1272633268 /nfs/dbraw/zinc/63/32/68/1272633268.db2.gz POXVFRYSEOITBZ-KBUPBQIOSA-N 1 0 341.452 2.667 20 5 EFBDRO CC1(C)C[C@@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169139140 1272698283 /nfs/dbraw/zinc/69/82/83/1272698283.db2.gz YTRZEYQDVKNVBO-BMIGLBTASA-N 1 0 342.827 2.837 20 5 EFBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C[C@](C)(C[NH3+])C1 ZINC001169151948 1272712995 /nfs/dbraw/zinc/71/29/95/1272712995.db2.gz NQHJVJFBQJLXNY-LRDDRELGSA-N 1 0 332.408 2.593 20 5 EFBDRO Cc1nc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c(C)c1Br ZINC001169567585 1273012663 /nfs/dbraw/zinc/01/26/63/1273012663.db2.gz LSBKIMABOYGCQO-SNVBAGLBSA-N 1 0 343.225 2.923 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c2nncn2c1 ZINC001169690507 1273094003 /nfs/dbraw/zinc/09/40/03/1273094003.db2.gz MNHSOIBUZSFBGK-AWEZNQCLSA-N 1 0 338.371 2.878 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001169695548 1273097471 /nfs/dbraw/zinc/09/74/71/1273097471.db2.gz GOWWZOUYFYIURO-AWEZNQCLSA-N 1 0 328.372 2.534 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000844147408 1278774651 /nfs/dbraw/zinc/77/46/51/1278774651.db2.gz WLQRTNZGRPKJKO-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccccc1[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000844160880 1278790122 /nfs/dbraw/zinc/79/01/22/1278790122.db2.gz NMUGMDBBPBLHJJ-QGZVFWFLSA-N 1 0 341.367 2.501 20 5 EFBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001129058418 1273528805 /nfs/dbraw/zinc/52/88/05/1273528805.db2.gz YFFQROZSYVPRGZ-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO [NH3+]Cc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000844205570 1278808654 /nfs/dbraw/zinc/80/86/54/1278808654.db2.gz XVXWNACWPMJSQB-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001035186943 1273791492 /nfs/dbraw/zinc/79/14/92/1273791492.db2.gz MPDVJZUDSTVZKB-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO COC[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769398911 1274304298 /nfs/dbraw/zinc/30/42/98/1274304298.db2.gz NDCBULNIGOATRY-JTQLQIEISA-N 1 0 329.194 2.826 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001109463732 1274308302 /nfs/dbraw/zinc/30/83/02/1274308302.db2.gz VKDCVMALEORASU-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001109472459 1274324056 /nfs/dbraw/zinc/32/40/56/1274324056.db2.gz NQOQVQITZJRLJJ-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001035704280 1274381008 /nfs/dbraw/zinc/38/10/08/1274381008.db2.gz JHVWFRSEWMYVAD-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000103482952 1278881015 /nfs/dbraw/zinc/88/10/15/1278881015.db2.gz SIKSNGNXGGUERY-MRXNPFEDSA-N 1 0 348.374 2.999 20 5 EFBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000103483026 1278882414 /nfs/dbraw/zinc/88/24/14/1278882414.db2.gz PKMNRNOABCFTFO-UHFFFAOYSA-N 1 0 331.347 2.858 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1ncc(F)cn1 ZINC001171118653 1278902414 /nfs/dbraw/zinc/90/24/14/1278902414.db2.gz LJWLARSADVSJNQ-LLVKDONJSA-N 1 0 349.366 2.637 20 5 EFBDRO O=C(CC1(C(F)(F)F)CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129229272 1275150282 /nfs/dbraw/zinc/15/02/82/1275150282.db2.gz BFNCCBFCLCUJKW-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000785725855 1275157958 /nfs/dbraw/zinc/15/79/58/1275157958.db2.gz BOEHINOJMCYDEN-KBPBESRZSA-N 1 0 336.388 2.780 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000785725857 1275158367 /nfs/dbraw/zinc/15/83/67/1275158367.db2.gz BOEHINOJMCYDEN-OKILXGFUSA-N 1 0 336.388 2.780 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C[NH+]1CCCC1 ZINC000785759240 1275178433 /nfs/dbraw/zinc/17/84/33/1275178433.db2.gz KEMXHBZHJVWHOY-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000785808014 1275193892 /nfs/dbraw/zinc/19/38/92/1275193892.db2.gz WMKCNYUQFCYMQH-VXGBXAGGSA-N 1 0 325.796 2.832 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4nsnc43)CC2)n1 ZINC000785868602 1275219622 /nfs/dbraw/zinc/21/96/22/1275219622.db2.gz IKDHMGIFQGYJBB-UHFFFAOYSA-N 1 0 344.400 2.633 20 5 EFBDRO C[NH+](C)CCc1ccc(CNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000786079196 1275306549 /nfs/dbraw/zinc/30/65/49/1275306549.db2.gz RNXNHWCIUDOVBX-UHFFFAOYSA-N 1 0 339.399 2.959 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c[nH+]cn2c1 ZINC000786321982 1275369803 /nfs/dbraw/zinc/36/98/03/1275369803.db2.gz SSJFSTPVISTOOA-UHFFFAOYSA-N 1 0 330.731 2.826 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786833567 1275537470 /nfs/dbraw/zinc/53/74/70/1275537470.db2.gz LIPHOJISLWGUNR-CYBMUJFWSA-N 1 0 340.383 2.975 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCc1ccccc1 ZINC000786810205 1275549494 /nfs/dbraw/zinc/54/94/94/1275549494.db2.gz SILNQULOICOMSR-GDNBJRDFSA-N 1 0 339.395 2.904 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCc1ccccc1 ZINC000786810206 1275549511 /nfs/dbraw/zinc/54/95/11/1275549511.db2.gz SILNQULOICOMSR-XNTDXEJSSA-N 1 0 339.395 2.904 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000786812964 1275551030 /nfs/dbraw/zinc/55/10/30/1275551030.db2.gz MXDWJVDQUKRVHM-BMQCOBNYSA-N 1 0 333.388 2.819 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000786820345 1275554103 /nfs/dbraw/zinc/55/41/03/1275554103.db2.gz HLQIXZGANZNFTM-CRPZLVSXSA-N 1 0 348.399 2.510 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000786851981 1275556881 /nfs/dbraw/zinc/55/68/81/1275556881.db2.gz DPOIAMSKFTXUMB-HNNXBMFYSA-N 1 0 328.368 2.957 20 5 EFBDRO O=C(OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786882095 1275583046 /nfs/dbraw/zinc/58/30/46/1275583046.db2.gz KQYRIOGZVLMOIX-INIZCTEOSA-N 1 0 348.399 2.924 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294783 1278979538 /nfs/dbraw/zinc/97/95/38/1278979538.db2.gz RTYOPBSLVJQXJD-ACJLOTCBSA-N 1 0 330.384 2.858 20 5 EFBDRO CCOC(=O)CC(C)(C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298273 1278980693 /nfs/dbraw/zinc/98/06/93/1278980693.db2.gz HZTRXSGXPNORCN-GFCCVEGCSA-N 1 0 338.404 2.856 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170296610 1278980972 /nfs/dbraw/zinc/98/09/72/1278980972.db2.gz GLJIYQINVOXZJA-ZDUSSCGKSA-N 1 0 349.431 2.573 20 5 EFBDRO CCOC(CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])OCC ZINC001170304297 1278988521 /nfs/dbraw/zinc/98/85/21/1278988521.db2.gz BCZSQCRDQUJWPS-ZDUSSCGKSA-N 1 0 340.420 2.913 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170304516 1278990150 /nfs/dbraw/zinc/99/01/50/1278990150.db2.gz DDSXPFFAODDSIG-CYBMUJFWSA-N 1 0 333.432 2.751 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccccn2)c([N+](=O)[O-])c1 ZINC001170306446 1278992050 /nfs/dbraw/zinc/99/20/50/1278992050.db2.gz VHGRUIMVFWRXHB-CYBMUJFWSA-N 1 0 331.372 2.598 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000788471688 1276188235 /nfs/dbraw/zinc/18/82/35/1276188235.db2.gz NEOGLECNVUDREC-MRXNPFEDSA-N 1 0 330.388 2.572 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(CC3CC3)cn2)c([N+](=O)[O-])c1 ZINC001170325215 1279016461 /nfs/dbraw/zinc/01/64/61/1279016461.db2.gz STVYVEFPKHKXMA-CYBMUJFWSA-N 1 0 344.415 2.931 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])ncn1 ZINC001170325342 1279015881 /nfs/dbraw/zinc/01/58/81/1279015881.db2.gz UCKJORSWFNQQQN-LBPRGKRZSA-N 1 0 346.387 2.513 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCO[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170317347 1279012373 /nfs/dbraw/zinc/01/23/73/1279012373.db2.gz GOHFITPVXGIUIM-DYVFJYSZSA-N 1 0 338.404 2.667 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788634481 1276250273 /nfs/dbraw/zinc/25/02/73/1276250273.db2.gz ZGCPTTBWDRJLAY-DOMZBBRYSA-N 1 0 346.431 2.619 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000788673910 1276254298 /nfs/dbraw/zinc/25/42/98/1276254298.db2.gz YYROWRWUFUOTIM-VEVIJQCQSA-N 1 0 329.400 2.820 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665483 1276264815 /nfs/dbraw/zinc/26/48/15/1276264815.db2.gz OEAIRCIXCIHBOI-GFCCVEGCSA-N 1 0 338.371 2.609 20 5 EFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756937 1276290579 /nfs/dbraw/zinc/29/05/79/1276290579.db2.gz JYFYFBZNXIRSFA-CZUORRHYSA-N 1 0 329.400 2.740 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170327994 1279019529 /nfs/dbraw/zinc/01/95/29/1279019529.db2.gz TUGNLZORSMQIFP-LBPRGKRZSA-N 1 0 336.388 2.610 20 5 EFBDRO COc1cc(C[NH2+]CCNc2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000922925050 1276345908 /nfs/dbraw/zinc/34/59/08/1276345908.db2.gz IPMIRSJKGFENKU-UHFFFAOYSA-N 1 0 346.387 2.517 20 5 EFBDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817909626 1276371189 /nfs/dbraw/zinc/37/11/89/1276371189.db2.gz WPXACUAPKDLIHI-HZMBPMFUSA-N 1 0 325.796 2.595 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352813 1279031586 /nfs/dbraw/zinc/03/15/86/1279031586.db2.gz RBMCPMQHOJBBAR-JSGCOSHPSA-N 1 0 336.388 2.562 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C1CC1 ZINC000844477421 1279031861 /nfs/dbraw/zinc/03/18/61/1279031861.db2.gz GIILJNKWCVQKOB-UONOGXRCSA-N 1 0 338.791 2.879 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352814 1279031912 /nfs/dbraw/zinc/03/19/12/1279031912.db2.gz RBMCPMQHOJBBAR-OCCSQVGLSA-N 1 0 336.388 2.562 20 5 EFBDRO C[NH2+]CCc1c(C)nn([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170352874 1279031958 /nfs/dbraw/zinc/03/19/58/1279031958.db2.gz SKWJHOFJQBGDCT-LBPRGKRZSA-N 1 0 346.431 2.982 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[N@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170355839 1279033495 /nfs/dbraw/zinc/03/34/95/1279033495.db2.gz QREOTVVJQDKPBV-CABCVRRESA-N 1 0 335.448 2.949 20 5 EFBDRO CCC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170354954 1279034512 /nfs/dbraw/zinc/03/45/12/1279034512.db2.gz SKWUVPDUZXEKRS-DJIMGWMZSA-N 1 0 347.459 2.808 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170356061 1279035735 /nfs/dbraw/zinc/03/57/35/1279035735.db2.gz VRTPGMQDLGNEDO-AWEZNQCLSA-N 1 0 333.432 2.705 20 5 EFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145402 1276491712 /nfs/dbraw/zinc/49/17/12/1276491712.db2.gz FXOXPIYOZYCWOH-ZIAGYGMSSA-N 1 0 325.453 2.591 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534564 1276529841 /nfs/dbraw/zinc/52/98/41/1276529841.db2.gz HWWXILAVMULVJG-UHFFFAOYSA-N 1 0 327.384 2.643 20 5 EFBDRO Cc1cccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC000818551695 1276533285 /nfs/dbraw/zinc/53/32/85/1276533285.db2.gz KVDVIUDYNPIZFS-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO [NH3+]Cc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000818608206 1276545680 /nfs/dbraw/zinc/54/56/80/1276545680.db2.gz SSXFJHCBPUORJC-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962705 1276551694 /nfs/dbraw/zinc/55/16/94/1276551694.db2.gz WAJUHTHWDIAPDR-MRXNPFEDSA-N 1 0 331.372 2.600 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000818961058 1276551715 /nfs/dbraw/zinc/55/17/15/1276551715.db2.gz NQSSBFLYJISMKY-INIZCTEOSA-N 1 0 336.775 2.950 20 5 EFBDRO C[C@H](COc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818965439 1276552380 /nfs/dbraw/zinc/55/23/80/1276552380.db2.gz IBRKHHTULREUDA-CQSZACIVSA-N 1 0 343.383 2.981 20 5 EFBDRO CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818963732 1276552448 /nfs/dbraw/zinc/55/24/48/1276552448.db2.gz ZDCSRXTXQFMUMG-KRWDZBQOSA-N 1 0 343.383 2.767 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2cnc3ccccc32)c1 ZINC000818941427 1276554228 /nfs/dbraw/zinc/55/42/28/1276554228.db2.gz JNDGOXCQRGMTRF-GOSISDBHSA-N 1 0 340.383 2.658 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOc2ccccc2F)c1 ZINC000818944369 1276555187 /nfs/dbraw/zinc/55/51/87/1276555187.db2.gz KFZMWGVPYCKWNM-MRXNPFEDSA-N 1 0 334.347 2.826 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1CC1(Cl)Cl)Nc1ccccc1[N+](=O)[O-] ZINC000818950714 1276555942 /nfs/dbraw/zinc/55/59/42/1276555942.db2.gz ZFYYGGYDTNKDLY-VIFPVBQESA-N 1 0 332.187 2.707 20 5 EFBDRO CCN(CC)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818980905 1276562881 /nfs/dbraw/zinc/56/28/81/1276562881.db2.gz PDHUMLBEIPHAMV-DLBZAZTESA-N 1 0 347.415 2.894 20 5 EFBDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818989581 1276564298 /nfs/dbraw/zinc/56/42/98/1276564298.db2.gz NZUIGFBSKVJWLM-QGZVFWFLSA-N 1 0 342.395 2.958 20 5 EFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818970328 1276573956 /nfs/dbraw/zinc/57/39/56/1276573956.db2.gz MVYXGXSNSQFITO-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819040047 1276577676 /nfs/dbraw/zinc/57/76/76/1276577676.db2.gz TXWHRMFHNVBLRH-MRXNPFEDSA-N 1 0 331.372 2.602 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000819042692 1276578815 /nfs/dbraw/zinc/57/88/15/1276578815.db2.gz RAPUWVNHGLIKTN-YOEHRIQHSA-N 1 0 328.368 2.784 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000819046297 1276579441 /nfs/dbraw/zinc/57/94/41/1276579441.db2.gz JZOCTKCKSBVHLB-KXBFYZLASA-N 1 0 343.427 2.738 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000819059238 1276586883 /nfs/dbraw/zinc/58/68/83/1276586883.db2.gz DLVDMPMEOWZLJJ-MSOLQXFVSA-N 1 0 328.368 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC000819060231 1276586946 /nfs/dbraw/zinc/58/69/46/1276586946.db2.gz MEOZYHCHOBQVKO-ZWKOTPCHSA-N 1 0 328.368 2.532 20 5 EFBDRO COc1cccc(OCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819086726 1276599871 /nfs/dbraw/zinc/59/98/71/1276599871.db2.gz WBIYGLPSXYBWIY-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO COc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000819097615 1276605215 /nfs/dbraw/zinc/60/52/15/1276605215.db2.gz KRBMFSDTWNJANV-KRWDZBQOSA-N 1 0 330.384 2.778 20 5 EFBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819103899 1276609337 /nfs/dbraw/zinc/60/93/37/1276609337.db2.gz MIUUMNAOIUJEAO-IRXDYDNUSA-N 1 0 344.367 2.750 20 5 EFBDRO C[C@H](O)C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819155794 1276633804 /nfs/dbraw/zinc/63/38/04/1276633804.db2.gz RUDNFILKKRDDQE-POZUXBRTSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819110813 1276635439 /nfs/dbraw/zinc/63/54/39/1276635439.db2.gz JOTXGAXHYRFWKG-PXAZEXFGSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cccc(O[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819113179 1276635735 /nfs/dbraw/zinc/63/57/35/1276635735.db2.gz MJHAFOGAPVZVHP-ACJLOTCBSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819112677 1276635931 /nfs/dbraw/zinc/63/59/31/1276635931.db2.gz HMLYNOWTFFUZEN-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cccc(F)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819113574 1276637073 /nfs/dbraw/zinc/63/70/73/1276637073.db2.gz SEBROFXWFQRVBE-AWEZNQCLSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1cccc(F)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819114205 1276637737 /nfs/dbraw/zinc/63/77/37/1276637737.db2.gz ZDUMGJNWNXEGJM-CYBMUJFWSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116481 1276638294 /nfs/dbraw/zinc/63/82/94/1276638294.db2.gz ZEUNLAYKLFPEDC-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC001134806181 1287231281 /nfs/dbraw/zinc/23/12/81/1287231281.db2.gz BZUMCQYPQCMTQV-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO Cc1ncc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000819179121 1276659759 /nfs/dbraw/zinc/65/97/59/1276659759.db2.gz ITUISWXECOJHBT-UHFFFAOYSA-N 1 0 334.401 2.521 20 5 EFBDRO CCCCn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000819205054 1276676784 /nfs/dbraw/zinc/67/67/84/1276676784.db2.gz HEDMRTKKQACLKT-QGZVFWFLSA-N 1 0 332.404 2.723 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000819236356 1276678646 /nfs/dbraw/zinc/67/86/46/1276678646.db2.gz GVUUNWCJCLNWQI-KYNGSXCRSA-N 1 0 343.427 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000819252365 1276686139 /nfs/dbraw/zinc/68/61/39/1276686139.db2.gz RKXAKNCRMGDUEV-JKSUJKDBSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000819307610 1276713108 /nfs/dbraw/zinc/71/31/08/1276713108.db2.gz BFFMMJQULROHQC-INIZCTEOSA-N 1 0 327.384 2.735 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000819266064 1276719295 /nfs/dbraw/zinc/71/92/95/1276719295.db2.gz LOFTYEDTQBTWRD-SFHVURJKSA-N 1 0 327.384 2.692 20 5 EFBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819360665 1276728234 /nfs/dbraw/zinc/72/82/34/1276728234.db2.gz JXBCUUOMARCDIW-KZULUSFZSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000819327769 1276729384 /nfs/dbraw/zinc/72/93/84/1276729384.db2.gz IANYPTTUDTUXJW-KDOFPFPSSA-N 1 0 345.374 2.636 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819346085 1276737086 /nfs/dbraw/zinc/73/70/86/1276737086.db2.gz CUNGSSQOVWTVMD-AAEUAGOBSA-N 1 0 349.214 2.508 20 5 EFBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819345469 1276737145 /nfs/dbraw/zinc/73/71/45/1276737145.db2.gz GUQLRUXXAOFIRM-MSOLQXFVSA-N 1 0 330.384 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000819351632 1276740134 /nfs/dbraw/zinc/74/01/34/1276740134.db2.gz AGELYQQEYILJOP-FHLIZLRMSA-N 1 0 343.383 2.533 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000819351688 1276740186 /nfs/dbraw/zinc/74/01/86/1276740186.db2.gz BKEJLFLKZFOVQU-FHLIZLRMSA-N 1 0 343.383 2.533 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000789514423 1276772512 /nfs/dbraw/zinc/77/25/12/1276772512.db2.gz QBXVEPJDWQLPAU-SJORKVTESA-N 1 0 330.388 2.854 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819452928 1276775242 /nfs/dbraw/zinc/77/52/42/1276775242.db2.gz OMUUWIRGGCZNBG-SFHVURJKSA-N 1 0 345.399 2.681 20 5 EFBDRO Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000819892491 1276937520 /nfs/dbraw/zinc/93/75/20/1276937520.db2.gz IOVNQHKNSCSUMF-INIZCTEOSA-N 1 0 340.383 2.780 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746878040 1277242759 /nfs/dbraw/zinc/24/27/59/1277242759.db2.gz QQJZAEVWTSUMJR-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336583 1279028832 /nfs/dbraw/zinc/02/88/32/1279028832.db2.gz ZSHPXANECKAYOB-YVLXSGLVSA-N 1 0 342.342 2.500 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)c2cnccn2)c([N+](=O)[O-])c1 ZINC001170307584 1279029667 /nfs/dbraw/zinc/02/96/67/1279029667.db2.gz HTMMTEXYPUHZTC-CYBMUJFWSA-N 1 0 344.415 2.892 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000820670389 1277271744 /nfs/dbraw/zinc/27/17/44/1277271744.db2.gz NRWLWTUIWYXKKU-LLVKDONJSA-N 1 0 343.786 2.546 20 5 EFBDRO CCOC(=O)CCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307444 1279029976 /nfs/dbraw/zinc/02/99/76/1279029976.db2.gz FYJJUDQIPURHDR-CYBMUJFWSA-N 1 0 338.404 2.857 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000821031929 1277405750 /nfs/dbraw/zinc/40/57/50/1277405750.db2.gz XSIIBVSNGFJGPD-YQVWRLOYSA-N 1 0 343.427 2.643 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000821031558 1277406502 /nfs/dbraw/zinc/40/65/02/1277406502.db2.gz UZYIUTBNRMASPZ-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1Cl ZINC000923264051 1277408244 /nfs/dbraw/zinc/40/82/44/1277408244.db2.gz FNOMORLJELFVMR-NWDGAFQWSA-N 1 0 337.807 2.865 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000821007961 1277415325 /nfs/dbraw/zinc/41/53/25/1277415325.db2.gz SPPSJOVQAJQURQ-GDBMZVCRSA-N 1 0 331.416 2.768 20 5 EFBDRO C[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923284488 1277461016 /nfs/dbraw/zinc/46/10/16/1277461016.db2.gz OASKMTOUNUGZQG-LLVKDONJSA-N 1 0 328.210 2.541 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000821254125 1277493522 /nfs/dbraw/zinc/49/35/22/1277493522.db2.gz VXSQRTJXVBFLPN-AWEZNQCLSA-N 1 0 337.376 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923291881 1277511759 /nfs/dbraw/zinc/51/17/59/1277511759.db2.gz GTHJCSRDMTZTTF-NEPJUHHUSA-N 1 0 340.221 2.684 20 5 EFBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CC[C@@H](C)C1 ZINC000790476367 1277585220 /nfs/dbraw/zinc/58/52/20/1277585220.db2.gz CITWHNJQANCTHB-TZMCWYRMSA-N 1 0 347.419 2.742 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1F ZINC000790517841 1277625773 /nfs/dbraw/zinc/62/57/73/1277625773.db2.gz BHFKKHCGNWNAII-UHFFFAOYSA-N 1 0 341.302 2.875 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000791060770 1277933852 /nfs/dbraw/zinc/93/38/52/1277933852.db2.gz MPGWWVAZMRPRGP-AWEZNQCLSA-N 1 0 341.358 2.723 20 5 EFBDRO CC(C)(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000791225657 1277989585 /nfs/dbraw/zinc/98/95/85/1277989585.db2.gz QHZRQSKVLYUZGN-JXMROGBWSA-N 1 0 331.416 2.846 20 5 EFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000791346604 1278043038 /nfs/dbraw/zinc/04/30/38/1278043038.db2.gz XJYUOUMSDIBZDH-UHFFFAOYSA-N 1 0 341.302 2.959 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccnc2OC)c([N+](=O)[O-])c1 ZINC001170306989 1279030642 /nfs/dbraw/zinc/03/06/42/1279030642.db2.gz CLTMRVSKBLSDNY-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170345222 1279048939 /nfs/dbraw/zinc/04/89/39/1279048939.db2.gz IEKOOFHIBDSEFG-GOEBONIOSA-N 1 0 333.432 2.705 20 5 EFBDRO CCC(=O)NC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344674 1279049656 /nfs/dbraw/zinc/04/96/56/1279049656.db2.gz FCGYWBXNVZEQAM-CYBMUJFWSA-N 1 0 349.431 2.525 20 5 EFBDRO CCC(=O)NC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344676 1279050582 /nfs/dbraw/zinc/05/05/82/1279050582.db2.gz FCGYWBXNVZEQAM-ZDUSSCGKSA-N 1 0 349.431 2.525 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3cccnc3C2)c([N+](=O)[O-])c1 ZINC001170351752 1279058867 /nfs/dbraw/zinc/05/88/67/1279058867.db2.gz HSUDMTGMSAIDEX-CYBMUJFWSA-N 1 0 327.384 2.988 20 5 EFBDRO CC[N@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCCC1 ZINC000844778546 1279246936 /nfs/dbraw/zinc/24/69/36/1279246936.db2.gz WOIKJNOWHRLRSW-UHFFFAOYSA-N 1 0 327.469 2.983 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@H]1CCC[N@H+]1CCCO ZINC000845554229 1279721367 /nfs/dbraw/zinc/72/13/67/1279721367.db2.gz GESLVLFCYOHCSD-SNVBAGLBSA-N 1 0 331.775 2.646 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(C4CC4)CC3)n2)c1 ZINC000793629323 1279782378 /nfs/dbraw/zinc/78/23/78/1279782378.db2.gz CNUIGIQPJLGXDP-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110742 1280020004 /nfs/dbraw/zinc/02/00/04/1280020004.db2.gz ZNYNOPTUPBZZPO-CQSZACIVSA-N 1 0 349.214 2.923 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NC(C)C ZINC000872021437 1287402641 /nfs/dbraw/zinc/40/26/41/1287402641.db2.gz PLEQPZQVCDZTEJ-LLVKDONJSA-N 1 0 325.434 2.882 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001129401033 1280187735 /nfs/dbraw/zinc/18/77/35/1280187735.db2.gz SXHFDKRQNUEWDF-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(=O)N(C)C ZINC000872027280 1287405022 /nfs/dbraw/zinc/40/50/22/1287405022.db2.gz ISRUFVYVALZSAK-NSHDSACASA-N 1 0 325.434 2.836 20 5 EFBDRO O=C(CCc1ccsc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129473504 1280207394 /nfs/dbraw/zinc/20/73/94/1280207394.db2.gz XWSZEHCOJRVQCK-UHFFFAOYSA-N 1 0 339.442 2.556 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COCC1CC1 ZINC000872030325 1287406131 /nfs/dbraw/zinc/40/61/31/1287406131.db2.gz CWRNYXHGPARZFA-SMDDNHRTSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000872031989 1287406672 /nfs/dbraw/zinc/40/66/72/1287406672.db2.gz OSCRHGCAHIGKFY-ZYHUDNBSSA-N 1 0 347.444 2.882 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872035315 1287407428 /nfs/dbraw/zinc/40/74/28/1287407428.db2.gz LTWSQXOIKMIOAT-QWHCGFSZSA-N 1 0 339.461 2.688 20 5 EFBDRO COc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc(C)c1[N+](=O)[O-] ZINC001170453042 1280236076 /nfs/dbraw/zinc/23/60/76/1280236076.db2.gz HEAZMGKQENQZJA-UHFFFAOYSA-N 1 0 337.424 2.765 20 5 EFBDRO COc1nc(C)nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001170453894 1280256707 /nfs/dbraw/zinc/25/67/07/1280256707.db2.gz PQHVEZFIXAOSOL-UHFFFAOYSA-N 1 0 337.424 2.765 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872044391 1287409294 /nfs/dbraw/zinc/40/92/94/1287409294.db2.gz UPFRYGORJZJQTN-VXGBXAGGSA-N 1 0 337.445 2.978 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804529877 1280267488 /nfs/dbraw/zinc/26/74/88/1280267488.db2.gz OFHUYTXSHVTXKP-ZDUSSCGKSA-N 1 0 334.376 2.671 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C1CCOCC1 ZINC000872046958 1287410949 /nfs/dbraw/zinc/41/09/49/1287410949.db2.gz AFGCFJMWCFOLPM-ABAIWWIYSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CCOCC1 ZINC000872059861 1287415223 /nfs/dbraw/zinc/41/52/23/1287415223.db2.gz JFBGHJMNKLEXQC-NHYWBVRUSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000872066090 1287417525 /nfs/dbraw/zinc/41/75/25/1287417525.db2.gz DMMQBQGLMUOVHW-ZIBATOQPSA-N 1 0 326.418 2.507 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000872070449 1287419871 /nfs/dbraw/zinc/41/98/71/1287419871.db2.gz ZYYUPKBZDIMFOB-SNVBAGLBSA-N 1 0 344.458 2.545 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001091350326 1280384529 /nfs/dbraw/zinc/38/45/29/1280384529.db2.gz LVZPHANVUCSGQC-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cscc1Cl ZINC001130003444 1280408328 /nfs/dbraw/zinc/40/83/28/1280408328.db2.gz GTCISQHHCQWJTO-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001091366605 1280411613 /nfs/dbraw/zinc/41/16/13/1280411613.db2.gz ICXGXGZPDXOEAV-FZNQNYSPSA-N 1 0 348.447 2.552 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1=O ZINC000872083084 1287423013 /nfs/dbraw/zinc/42/30/13/1287423013.db2.gz GVPBPOXJQZFGGC-VXGBXAGGSA-N 1 0 337.445 2.836 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000872084613 1287423698 /nfs/dbraw/zinc/42/36/98/1287423698.db2.gz SWHXTHRZYJIBSV-RYUDHWBXSA-N 1 0 349.456 2.978 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083871 1287423887 /nfs/dbraw/zinc/42/38/87/1287423887.db2.gz BRGSKUDBHAKVPO-SNVBAGLBSA-N 1 0 327.406 2.666 20 5 EFBDRO CCc1ccccc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130147728 1280496799 /nfs/dbraw/zinc/49/67/99/1280496799.db2.gz NYKAPRNYDHECSC-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872108617 1287431404 /nfs/dbraw/zinc/43/14/04/1287431404.db2.gz BFFXARLQKTZGCO-SECBINFHSA-N 1 0 343.309 2.743 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000846923352 1280620620 /nfs/dbraw/zinc/62/06/20/1280620620.db2.gz OLXHXWGLFPBHAA-GOSISDBHSA-N 1 0 325.368 2.813 20 5 EFBDRO C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000846940467 1280628837 /nfs/dbraw/zinc/62/88/37/1280628837.db2.gz KSERJJDUDWFOSV-QGZVFWFLSA-N 1 0 333.432 2.579 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846946128 1280648894 /nfs/dbraw/zinc/64/88/94/1280648894.db2.gz QPQOWXXUSASLQV-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001091458998 1280736804 /nfs/dbraw/zinc/73/68/04/1280736804.db2.gz LVZPHANVUCSGQC-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CCc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001171278018 1280938380 /nfs/dbraw/zinc/93/83/80/1280938380.db2.gz CNHWRAOTOWAMOE-UHFFFAOYSA-N 1 0 345.399 2.968 20 5 EFBDRO CC(C)(CC(F)(F)F)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146819215 1281040765 /nfs/dbraw/zinc/04/07/65/1281040765.db2.gz MUDAKIHYCIMMFI-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001175585223 1287475893 /nfs/dbraw/zinc/47/58/93/1287475893.db2.gz RUKCIVOERNKGGV-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147490558 1281196319 /nfs/dbraw/zinc/19/63/19/1281196319.db2.gz OAXNFCRUEBLQAA-XNTDXEJSSA-N 1 0 343.427 2.985 20 5 EFBDRO CCCc1occc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147749923 1281265250 /nfs/dbraw/zinc/26/52/50/1281265250.db2.gz XJXNNXIIFQQLIN-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 ZINC001130929381 1281303860 /nfs/dbraw/zinc/30/38/60/1281303860.db2.gz XGPSLGWIHOXWAP-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000807681124 1281387736 /nfs/dbraw/zinc/38/77/36/1281387736.db2.gz ZBQGCJMVGSYAMV-BXUZGUMPSA-N 1 0 346.387 2.629 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000872252633 1287503007 /nfs/dbraw/zinc/50/30/07/1287503007.db2.gz UNPYLVBEWKTWPI-KSZLIROESA-N 1 0 330.384 2.730 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000872251574 1287503247 /nfs/dbraw/zinc/50/32/47/1287503247.db2.gz OPUTVYIBFXJYDB-RCCFBDPRSA-N 1 0 330.384 2.730 20 5 EFBDRO O=C1N(C[N@@H+]2CCC[C@@H](C3CC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000808230495 1281615444 /nfs/dbraw/zinc/61/54/44/1281615444.db2.gz IZWCFDHBCOLKQA-OAHLLOKOSA-N 1 0 344.415 2.916 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000822497713 1289016451 /nfs/dbraw/zinc/01/64/51/1289016451.db2.gz KGECZBCHWCRKJN-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000809629694 1282349567 /nfs/dbraw/zinc/34/95/67/1282349567.db2.gz BQDAFVQJXMTATN-UHFFFAOYSA-N 1 0 335.404 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000809733188 1282411936 /nfs/dbraw/zinc/41/19/36/1282411936.db2.gz QYFNUOLPEIDYCJ-YOEHRIQHSA-N 1 0 328.368 2.784 20 5 EFBDRO [NH3+]CCN(Cc1c[nH]nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734651 1282412109 /nfs/dbraw/zinc/41/21/09/1282412109.db2.gz JGNDUFSAFJNOIX-UHFFFAOYSA-N 1 0 337.383 2.950 20 5 EFBDRO CCc1oc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000809734322 1282413503 /nfs/dbraw/zinc/41/35/03/1282413503.db2.gz AEPKJGXSOKZTSS-UHFFFAOYSA-N 1 0 347.371 2.502 20 5 EFBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809734769 1282414155 /nfs/dbraw/zinc/41/41/55/1282414155.db2.gz KYCFBSMHGFLPMP-UHFFFAOYSA-N 1 0 334.307 2.607 20 5 EFBDRO [NH3+]CCN(Cc1cnc([C@@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809735281 1282414571 /nfs/dbraw/zinc/41/45/71/1282414571.db2.gz ZEYHPRSUHGTOJE-HNNXBMFYSA-N 1 0 348.428 2.868 20 5 EFBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000809734785 1282414994 /nfs/dbraw/zinc/41/49/94/1282414994.db2.gz LKRPAYVWYKWULA-UHFFFAOYSA-N 1 0 330.344 2.777 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000809710956 1282421516 /nfs/dbraw/zinc/42/15/16/1282421516.db2.gz DUPRLWGEVPBFOO-UHFFFAOYSA-N 1 0 346.836 2.695 20 5 EFBDRO C[NH+](C)CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000809737591 1282435688 /nfs/dbraw/zinc/43/56/88/1282435688.db2.gz ISUNAZCHHHYWGG-OAHLLOKOSA-N 1 0 341.839 2.791 20 5 EFBDRO C[NH+](C)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000809737604 1282436419 /nfs/dbraw/zinc/43/64/19/1282436419.db2.gz JNNHDPRNTOQESF-OAHLLOKOSA-N 1 0 341.839 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1Cl ZINC000809793112 1282490444 /nfs/dbraw/zinc/49/04/44/1282490444.db2.gz RJNGDMVHIZTGST-XJKSGUPXSA-N 1 0 334.759 2.832 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000809918805 1282565260 /nfs/dbraw/zinc/56/52/60/1282565260.db2.gz OZRDGBTYRHLHCO-NSHDSACASA-N 1 0 338.795 2.854 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809918626 1282565864 /nfs/dbraw/zinc/56/58/64/1282565864.db2.gz KYEYVDXUVSTBJS-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000809992678 1282726101 /nfs/dbraw/zinc/72/61/01/1282726101.db2.gz NYEXKSCQCOKLSE-MSOLQXFVSA-N 1 0 344.411 2.978 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555659 1287594562 /nfs/dbraw/zinc/59/45/62/1287594562.db2.gz DWUCNLPZLXAJCX-LBPRGKRZSA-N 1 0 342.399 2.730 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2ccsc2[nH]1 ZINC001132093168 1282907749 /nfs/dbraw/zinc/90/77/49/1282907749.db2.gz NYJDSFDRMCJBPD-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581913 1287612128 /nfs/dbraw/zinc/61/21/28/1287612128.db2.gz SHYBPTZJJJQVRD-GFCCVEGCSA-N 1 0 338.371 2.609 20 5 EFBDRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589385 1287617762 /nfs/dbraw/zinc/61/77/62/1287617762.db2.gz QNXVGOPOCZIDAY-SECBINFHSA-N 1 0 343.309 2.787 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000815569830 1287627568 /nfs/dbraw/zinc/62/75/68/1287627568.db2.gz JESVRCHQMBAMFG-SNVBAGLBSA-N 1 0 346.343 2.945 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571630 1287628127 /nfs/dbraw/zinc/62/81/27/1287628127.db2.gz INRFTPBXKZZVLG-SNVBAGLBSA-N 1 0 328.363 2.557 20 5 EFBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC001132331751 1283342633 /nfs/dbraw/zinc/34/26/33/1283342633.db2.gz WHUPZXDWMJKZPO-UHFFFAOYSA-N 1 0 347.440 2.840 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000810845401 1283732807 /nfs/dbraw/zinc/73/28/07/1283732807.db2.gz BYKHYACRMIPWMM-CHWSQXEVSA-N 1 0 329.356 2.860 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810846609 1283735339 /nfs/dbraw/zinc/73/53/39/1283735339.db2.gz JGUHDJZTVYKDMD-IAGOWNOFSA-N 1 0 347.415 2.957 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810847075 1283736352 /nfs/dbraw/zinc/73/63/52/1283736352.db2.gz MIWTXHZQXQMYLU-KGLIPLIRSA-N 1 0 336.413 2.857 20 5 EFBDRO COc1cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC001170624503 1283987380 /nfs/dbraw/zinc/98/73/80/1283987380.db2.gz IAPSXCQCHGVKND-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170625091 1283992643 /nfs/dbraw/zinc/99/26/43/1283992643.db2.gz RRTBXHXQOLTPGD-UHFFFAOYSA-N 1 0 345.447 2.765 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001170628775 1284149505 /nfs/dbraw/zinc/14/95/05/1284149505.db2.gz AEMCYBZKGWHVNU-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170628867 1284153995 /nfs/dbraw/zinc/15/39/95/1284153995.db2.gz CYUXUUOFSHAMNP-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO CN(C)C(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811475823 1284362274 /nfs/dbraw/zinc/36/22/74/1284362274.db2.gz LHASBJWXYPIUSX-UHFFFAOYSA-N 1 0 334.203 2.860 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1coc(C(F)F)c1 ZINC001132936422 1284465814 /nfs/dbraw/zinc/46/58/14/1284465814.db2.gz POTRIHNGGGWKEM-UHFFFAOYSA-N 1 0 339.298 2.645 20 5 EFBDRO CCCCCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093802385 1284533514 /nfs/dbraw/zinc/53/35/14/1284533514.db2.gz GPEIFWVARHCYET-UHFFFAOYSA-N 1 0 336.436 2.635 20 5 EFBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093977428 1284703981 /nfs/dbraw/zinc/70/39/81/1284703981.db2.gz KSXURMNAIBYQET-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC001170660924 1284896941 /nfs/dbraw/zinc/89/69/41/1284896941.db2.gz CPGYGXUYEPAHNA-UHFFFAOYSA-N 1 0 331.416 2.627 20 5 EFBDRO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccncc1 ZINC000872712989 1287754789 /nfs/dbraw/zinc/75/47/89/1287754789.db2.gz GQYLBBDEFBUTAQ-GASCZTMLSA-N 1 0 325.372 2.709 20 5 EFBDRO CO[C@](C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000812733790 1285387778 /nfs/dbraw/zinc/38/77/78/1285387778.db2.gz BFZIPXVJZLDDEG-GOSISDBHSA-N 1 0 333.432 2.968 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001094700180 1285505557 /nfs/dbraw/zinc/50/55/57/1285505557.db2.gz GONXBKKYCKDBQK-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)[C@H](C)C1 ZINC000822569164 1289035723 /nfs/dbraw/zinc/03/57/23/1289035723.db2.gz PRVQQJXBPZXVKL-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813435307 1285906456 /nfs/dbraw/zinc/90/64/56/1285906456.db2.gz RMYPYAQFVVXFJQ-UHFFFAOYSA-N 1 0 346.214 2.973 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC001133833746 1286002222 /nfs/dbraw/zinc/00/22/22/1286002222.db2.gz FPEXUIQRRNWTOG-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813630055 1286017027 /nfs/dbraw/zinc/01/70/27/1286017027.db2.gz GUTGPCTZTBJRMP-GFCCVEGCSA-N 1 0 334.376 2.814 20 5 EFBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813629788 1286026406 /nfs/dbraw/zinc/02/64/06/1286026406.db2.gz BUZCDFSKIRBKEL-ZDUSSCGKSA-N 1 0 329.404 2.553 20 5 EFBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902950 1286307890 /nfs/dbraw/zinc/30/78/90/1286307890.db2.gz NNWFQOHHMQLGMJ-HNNXBMFYSA-N 1 0 333.432 2.737 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccn(CCF)n1)CC2 ZINC001172904572 1286308457 /nfs/dbraw/zinc/30/84/57/1286308457.db2.gz OIHVFORXPIIDSI-HNNXBMFYSA-N 1 0 332.379 2.798 20 5 EFBDRO Cc1nc(CC[N@@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172904868 1286308540 /nfs/dbraw/zinc/30/85/40/1286308540.db2.gz PBMUSJDHYFZZFB-OAHLLOKOSA-N 1 0 330.388 2.708 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccncc1)CC2 ZINC001172905288 1286308816 /nfs/dbraw/zinc/30/88/16/1286308816.db2.gz IAJPRSXIBYLKKF-SJLPKXTDSA-N 1 0 327.384 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@](O)(C(F)(F)F)C1)CC2 ZINC001172904469 1286309001 /nfs/dbraw/zinc/30/90/01/1286309001.db2.gz NROFOOJEXABGOY-DZGCQCFKSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1cccnc1)CC2 ZINC001172908850 1286310856 /nfs/dbraw/zinc/31/08/56/1286310856.db2.gz ZWYWGMKJOJROBU-AEFFLSMTSA-N 1 0 327.384 2.560 20 5 EFBDRO CN(c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1)C(C)(C)C[NH3+] ZINC001159058781 1286330630 /nfs/dbraw/zinc/33/06/30/1286330630.db2.gz BZGKQMHQMJQHDQ-UHFFFAOYSA-N 1 0 335.795 2.879 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc3n(n1)CCCO3)CC2 ZINC001172910351 1286352450 /nfs/dbraw/zinc/35/24/50/1286352450.db2.gz XVYJXUUIGQGDJO-OAHLLOKOSA-N 1 0 342.399 2.611 20 5 EFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000822663177 1289069283 /nfs/dbraw/zinc/06/92/83/1289069283.db2.gz MSLBOOJXRFGAMT-CQSZACIVSA-N 1 0 347.415 2.548 20 5 EFBDRO CO[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009934 1286382339 /nfs/dbraw/zinc/38/23/39/1286382339.db2.gz KGFZZKOUYLQJPA-ZDUSSCGKSA-N 1 0 341.358 2.563 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H](F)C3)CC2)c(F)c1 ZINC001173009518 1286382413 /nfs/dbraw/zinc/38/24/13/1286382413.db2.gz DNBURVITWDLIOB-JTQLQIEISA-N 1 0 329.322 2.886 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(C)(C)O ZINC001173013398 1286383256 /nfs/dbraw/zinc/38/32/56/1286383256.db2.gz QWMURACSBUIDIJ-SNVBAGLBSA-N 1 0 343.374 2.591 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]ccc21 ZINC001134180768 1286424687 /nfs/dbraw/zinc/42/46/87/1286424687.db2.gz BJXACUMWIXDENF-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccnc2OC)c1F ZINC001173175525 1286451040 /nfs/dbraw/zinc/45/10/40/1286451040.db2.gz DCWNQQYNVIRAER-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1F ZINC001173175325 1286451394 /nfs/dbraw/zinc/45/13/94/1286451394.db2.gz AFOMGMOATFGWGF-NEPJUHHUSA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C)CCOCC2)c1F ZINC001173175447 1286451423 /nfs/dbraw/zinc/45/14/23/1286451423.db2.gz NKPUNHPQHUXIGX-LLVKDONJSA-N 1 0 326.368 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccccn2)c1F ZINC001173175822 1286452313 /nfs/dbraw/zinc/45/23/13/1286452313.db2.gz UDADCGPWBRDLSP-GFCCVEGCSA-N 1 0 333.363 2.901 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccccn2)c1F ZINC001173175865 1286452549 /nfs/dbraw/zinc/45/25/49/1286452549.db2.gz UDADCGPWBRDLSP-LBPRGKRZSA-N 1 0 333.363 2.901 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1F ZINC001173176074 1286452635 /nfs/dbraw/zinc/45/26/35/1286452635.db2.gz XAAQGVRYULBVDB-SRVKXCTJSA-N 1 0 326.368 2.567 20 5 EFBDRO CCN1CCC([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178837 1286453297 /nfs/dbraw/zinc/45/32/97/1286453297.db2.gz MTAMAPWJGAGEMI-LBPRGKRZSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2[C@@H](C)CC[C@H]2CO)c1F ZINC001173178982 1286453426 /nfs/dbraw/zinc/45/34/26/1286453426.db2.gz CNYDNQMOBKTPBE-SRVKXCTJSA-N 1 0 326.368 2.519 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@]2(C)CC[C@H](O)CC2)c1F ZINC001173178734 1286453865 /nfs/dbraw/zinc/45/38/65/1286453865.db2.gz HYRDZZFPOPRHAS-PSTGCABASA-N 1 0 340.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCn3c(C)ncc3C2)c1F ZINC001173179730 1286454812 /nfs/dbraw/zinc/45/48/12/1286454812.db2.gz GIFSBEGOZQWGEA-NSHDSACASA-N 1 0 348.378 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)(O)CC2)c1F ZINC001173183089 1286456411 /nfs/dbraw/zinc/45/64/11/1286456411.db2.gz WEBMTLURJBPTFJ-NSHDSACASA-N 1 0 326.368 2.520 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cnn(C)c2)c1F ZINC001173183812 1286456780 /nfs/dbraw/zinc/45/67/80/1286456780.db2.gz JOQCGYIOTKZOKS-LLVKDONJSA-N 1 0 336.367 2.539 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1F ZINC001173182770 1286457039 /nfs/dbraw/zinc/45/70/39/1286457039.db2.gz TWBOBQMCIZMQEB-PEBVRCNWSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1F ZINC001173190593 1286457900 /nfs/dbraw/zinc/45/79/00/1286457900.db2.gz ZBIGTFTYVYCQKF-QWRGUYRKSA-N 1 0 336.367 2.758 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cnccn2)c1F ZINC001173191442 1286458091 /nfs/dbraw/zinc/45/80/91/1286458091.db2.gz LGXWPRKDPXEDDJ-GHMZBOCLSA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1F ZINC001173190591 1286458284 /nfs/dbraw/zinc/45/82/84/1286458284.db2.gz ZBIGTFTYVYCQKF-GHMZBOCLSA-N 1 0 336.367 2.758 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cncs2)c1F ZINC001173193198 1286458706 /nfs/dbraw/zinc/45/87/06/1286458706.db2.gz SYOAMLNLDLBHBG-JTQLQIEISA-N 1 0 339.392 2.962 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@H]2CCCOC2)c1F ZINC001173193809 1286459289 /nfs/dbraw/zinc/45/92/89/1286459289.db2.gz QYBDJBKYDGAPOL-NEPJUHHUSA-N 1 0 326.368 2.784 20 5 EFBDRO C=Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001134201946 1286460728 /nfs/dbraw/zinc/46/07/28/1286460728.db2.gz DTJAHRFVKKGYQG-UHFFFAOYSA-N 1 0 325.368 2.757 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1cccc(F)c1 ZINC001173220007 1286473714 /nfs/dbraw/zinc/47/37/14/1286473714.db2.gz RHDYZRGAIUCHLU-GUYCJALGSA-N 1 0 332.375 2.858 20 5 EFBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173219945 1286474321 /nfs/dbraw/zinc/47/43/21/1286474321.db2.gz ABIIWWSRGGRTQA-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001173226598 1286480736 /nfs/dbraw/zinc/48/07/36/1286480736.db2.gz RFOROVJCWNKELB-KSSFIOAISA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001173226331 1286480881 /nfs/dbraw/zinc/48/08/81/1286480881.db2.gz ILVYGOLMOFDQCC-NOENWEJRSA-N 1 0 346.427 2.652 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-n2ccnn2)cc1 ZINC001173228335 1286481928 /nfs/dbraw/zinc/48/19/28/1286481928.db2.gz JELPPIMIWMUJPO-CQSZACIVSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC001173226976 1286482123 /nfs/dbraw/zinc/48/21/23/1286482123.db2.gz NGZYPCDPPLZJAU-AWEZNQCLSA-N 1 0 326.400 2.873 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001173226708 1286482269 /nfs/dbraw/zinc/48/22/69/1286482269.db2.gz NMTHDDBZGWZPMD-LLVKDONJSA-N 1 0 332.322 2.915 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001173228051 1286482345 /nfs/dbraw/zinc/48/23/45/1286482345.db2.gz WLPVQKNJICFECQ-OAHLLOKOSA-N 1 0 329.444 2.944 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001173228331 1286482420 /nfs/dbraw/zinc/48/24/20/1286482420.db2.gz JDZMNEKFMBEACP-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC001173230351 1286483366 /nfs/dbraw/zinc/48/33/66/1286483366.db2.gz XMWFXFSXBCJQPB-INIZCTEOSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001173233601 1286484732 /nfs/dbraw/zinc/48/47/32/1286484732.db2.gz JWYFOVYODGHGMM-CYBMUJFWSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001173213492 1286486712 /nfs/dbraw/zinc/48/67/12/1286486712.db2.gz HWRVZCXDMOIUBS-SJCJKPOMSA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001173213289 1286486724 /nfs/dbraw/zinc/48/67/24/1286486724.db2.gz HRIYECCAHOUQQM-HNAYVOBHSA-N 1 0 344.411 2.693 20 5 EFBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238362 1286495861 /nfs/dbraw/zinc/49/58/61/1286495861.db2.gz QMBWHBHPICUOOT-GUYCJALGSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001173238234 1286495974 /nfs/dbraw/zinc/49/59/74/1286495974.db2.gz OSYFETNHJVMPQH-AWEZNQCLSA-N 1 0 331.416 2.613 20 5 EFBDRO CCOC(=O)NC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238596 1286496288 /nfs/dbraw/zinc/49/62/88/1286496288.db2.gz VYDTUXMNMUEFFY-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238724 1286497265 /nfs/dbraw/zinc/49/72/65/1286497265.db2.gz WUHJLOTXYODMQI-GDBMZVCRSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001173238990 1286497618 /nfs/dbraw/zinc/49/76/18/1286497618.db2.gz ZTMCOVWLCLXMJS-RHSMWYFYSA-N 1 0 342.399 2.859 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC001135321573 1287930562 /nfs/dbraw/zinc/93/05/62/1287930562.db2.gz PQXPYAHXOMUMNP-UHFFFAOYSA-N 1 0 325.415 2.546 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000816931957 1288344211 /nfs/dbraw/zinc/34/42/11/1288344211.db2.gz DBESUJIZMOPZTM-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796402223 1299218781 /nfs/dbraw/zinc/21/87/81/1299218781.db2.gz HXLDSYQPEVFHJH-RVBZMBCESA-N 1 0 343.836 2.916 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852199302 1299593753 /nfs/dbraw/zinc/59/37/53/1299593753.db2.gz IRVKOWHXVBMROE-GFCCVEGCSA-N 1 0 340.811 2.532 20 5 EFBDRO NC(=O)CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000817410464 1288590507 /nfs/dbraw/zinc/59/05/07/1288590507.db2.gz CENOJZPGCJHSSD-UHFFFAOYSA-N 1 0 332.187 2.647 20 5 EFBDRO CCCN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000817410900 1288590609 /nfs/dbraw/zinc/59/06/09/1288590609.db2.gz JLEOIFOMFIBTDY-LBPRGKRZSA-N 1 0 325.796 2.596 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3(O)CCC3)CC2)cc1 ZINC000817414632 1288592945 /nfs/dbraw/zinc/59/29/45/1288592945.db2.gz MYEKQFPJZWKMDL-UHFFFAOYSA-N 1 0 333.432 2.848 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000821540719 1288747557 /nfs/dbraw/zinc/74/75/57/1288747557.db2.gz NAYRQMBLCUXORM-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821545336 1288748412 /nfs/dbraw/zinc/74/84/12/1288748412.db2.gz XCFDFTGPNSGRPH-HZPDHXFCSA-N 1 0 333.432 2.935 20 5 EFBDRO CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458650 1288791511 /nfs/dbraw/zinc/79/15/11/1288791511.db2.gz PYTHVSDWZPUOHF-KSLSASGISA-N 1 0 325.453 2.664 20 5 EFBDRO CCc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178458577 1288792327 /nfs/dbraw/zinc/79/23/27/1288792327.db2.gz MRIZWJHPOQEJCQ-QZTJIDSGSA-N 1 0 347.459 2.680 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821781884 1288795351 /nfs/dbraw/zinc/79/53/51/1288795351.db2.gz OWUOOBSFQMGUDC-HYVNUMGLSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000821847801 1288809452 /nfs/dbraw/zinc/80/94/52/1288809452.db2.gz JGKIYCGZTNUFNX-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000903439407 1312682563 /nfs/dbraw/zinc/68/25/63/1312682563.db2.gz DPMVCDFANWRXHQ-CUSZFKRNSA-N 1 0 342.399 2.523 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)o1 ZINC000823268961 1289255122 /nfs/dbraw/zinc/25/51/22/1289255122.db2.gz AADWKHVTMQCGDA-UHFFFAOYSA-N 1 0 326.312 2.593 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605761 1289382249 /nfs/dbraw/zinc/38/22/49/1289382249.db2.gz NDBJVAZALFIGJW-SFHVURJKSA-N 1 0 330.384 2.943 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCc3ccc(O)cc3C1)C[NH2+]C2 ZINC001171034166 1289464279 /nfs/dbraw/zinc/46/42/79/1289464279.db2.gz YPXLPYBONGTOHE-OAHLLOKOSA-N 1 0 325.368 2.873 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003217 1289498689 /nfs/dbraw/zinc/49/86/89/1289498689.db2.gz SXHCCTIEMDINDB-UPJWGTAASA-N 1 0 349.435 2.665 20 5 EFBDRO Nc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000823994305 1289509806 /nfs/dbraw/zinc/50/98/06/1289509806.db2.gz PVIRTFRRQYMUQQ-UHFFFAOYSA-N 1 0 347.419 2.659 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824002528 1289512207 /nfs/dbraw/zinc/51/22/07/1289512207.db2.gz BQRUXROTVWASTN-UHFFFAOYSA-N 1 0 349.435 2.763 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000873020889 1289524329 /nfs/dbraw/zinc/52/43/29/1289524329.db2.gz DOSMMRKGXCTQQX-OAHLLOKOSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000873030283 1289529544 /nfs/dbraw/zinc/52/95/44/1289529544.db2.gz DGURHXVPPBBIDB-GFCCVEGCSA-N 1 0 331.338 2.938 20 5 EFBDRO Cc1c(C[NH2+]CCCNC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873050669 1289540911 /nfs/dbraw/zinc/54/09/11/1289540911.db2.gz ZWWSOWBYORSOHA-UHFFFAOYSA-N 1 0 333.413 2.874 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000873058903 1289543783 /nfs/dbraw/zinc/54/37/83/1289543783.db2.gz LBHRCCDPUIQGQU-KGLIPLIRSA-N 1 0 340.445 2.657 20 5 EFBDRO Cc1c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079835 1289556735 /nfs/dbraw/zinc/55/67/35/1289556735.db2.gz IKNLVWYYONTLSQ-OALUTQOASA-N 1 0 347.459 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000873114413 1289574245 /nfs/dbraw/zinc/57/42/45/1289574245.db2.gz FLPILDPEYXEFLB-UHFFFAOYSA-N 1 0 341.415 2.760 20 5 EFBDRO CC[C@@H]1COCCN1CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000873189645 1289630264 /nfs/dbraw/zinc/63/02/64/1289630264.db2.gz SKDOQIQGDNANHS-JBXOJTMHSA-N 1 0 333.432 2.699 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000873195548 1289633754 /nfs/dbraw/zinc/63/37/54/1289633754.db2.gz NSKYTZOTCUHSCA-XIKOKIGWSA-N 1 0 346.383 2.824 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000873196465 1289634978 /nfs/dbraw/zinc/63/49/78/1289634978.db2.gz SIFCGYSLNMEGPJ-XIKOKIGWSA-N 1 0 346.383 2.824 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825808207 1290628702 /nfs/dbraw/zinc/62/87/02/1290628702.db2.gz REGJPJFTBKABRQ-HUUCEWRRSA-N 1 0 349.431 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876852787 1291049169 /nfs/dbraw/zinc/04/91/69/1291049169.db2.gz BFBATYUGVGCYSY-HNNXBMFYSA-N 1 0 331.416 2.673 20 5 EFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC ZINC000775065304 1291058359 /nfs/dbraw/zinc/05/83/59/1291058359.db2.gz MXCGKFNPTZYROY-HNNXBMFYSA-N 1 0 331.372 2.506 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCc4ccccc43)nc2c1 ZINC000876982718 1291098277 /nfs/dbraw/zinc/09/82/77/1291098277.db2.gz FANHXYUDCDIQQZ-UHFFFAOYSA-N 1 0 338.367 2.888 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141672 1291143347 /nfs/dbraw/zinc/14/33/47/1291143347.db2.gz CDINAWIQHHWWDB-UHFFFAOYSA-N 1 0 339.395 2.787 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000877188944 1291159701 /nfs/dbraw/zinc/15/97/01/1291159701.db2.gz JVILTVLJRZEIOG-UHFFFAOYSA-N 1 0 333.432 2.902 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000877486413 1291244897 /nfs/dbraw/zinc/24/48/97/1291244897.db2.gz MHZHYMHBMKILTJ-JCKWVBRZSA-N 1 0 334.416 2.980 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000877486412 1291245666 /nfs/dbraw/zinc/24/56/66/1291245666.db2.gz MHZHYMHBMKILTJ-DHSIGJKJSA-N 1 0 334.416 2.980 20 5 EFBDRO COc1cccc(OC)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000877523021 1291258980 /nfs/dbraw/zinc/25/89/80/1291258980.db2.gz UWCUYQKOCSSFTG-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000795701763 1291267747 /nfs/dbraw/zinc/26/77/47/1291267747.db2.gz MJPGXGXRTKZSCH-CJNGLKHVSA-N 1 0 343.431 2.769 20 5 EFBDRO CC(=O)N(C)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877654272 1291310512 /nfs/dbraw/zinc/31/05/12/1291310512.db2.gz NQSZWIILRLEINQ-UHFFFAOYSA-N 1 0 327.384 2.910 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877782855 1291375695 /nfs/dbraw/zinc/37/56/95/1291375695.db2.gz QYKVJDPASQPLDD-KAMYIIQDSA-N 1 0 329.400 2.600 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCOC1 ZINC000878087105 1291487196 /nfs/dbraw/zinc/48/71/96/1291487196.db2.gz XSBPGRPOQZKCNE-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878355896 1291642818 /nfs/dbraw/zinc/64/28/18/1291642818.db2.gz OFFLSFYUUUTLOC-GFCCVEGCSA-N 1 0 328.434 2.849 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000826057568 1291719629 /nfs/dbraw/zinc/71/96/29/1291719629.db2.gz HWGWHIPFFTUABZ-UHFFFAOYSA-N 1 0 339.823 2.970 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000878598674 1291728925 /nfs/dbraw/zinc/72/89/25/1291728925.db2.gz LSQOYOGNHITYGH-INIZCTEOSA-N 1 0 336.432 2.515 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC000878747364 1291773393 /nfs/dbraw/zinc/77/33/93/1291773393.db2.gz KMAYHUONIAPFRY-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001114786199 1291954170 /nfs/dbraw/zinc/95/41/70/1291954170.db2.gz HNTJZYUIULGIIL-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796113926 1291986550 /nfs/dbraw/zinc/98/65/50/1291986550.db2.gz PWFDCAUSKGBYMN-QGZVFWFLSA-N 1 0 345.355 2.711 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879522446 1292170212 /nfs/dbraw/zinc/17/02/12/1292170212.db2.gz XNECJTNOQXKCKP-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796164683 1292198085 /nfs/dbraw/zinc/19/80/85/1292198085.db2.gz MVBWAIAKGKPAHK-INIZCTEOSA-N 1 0 335.404 2.738 20 5 EFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000879710182 1292238587 /nfs/dbraw/zinc/23/85/87/1292238587.db2.gz ZTXWOHOXJRHKCB-UHFFFAOYSA-N 1 0 328.796 2.876 20 5 EFBDRO CC(C)CC(=O)N1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879761772 1292259923 /nfs/dbraw/zinc/25/99/23/1292259923.db2.gz QOOLBYYHDIBVHM-UHFFFAOYSA-N 1 0 337.395 2.814 20 5 EFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnc(N)nc1 ZINC001212966371 1292470504 /nfs/dbraw/zinc/47/05/04/1292470504.db2.gz TYMWHYGRFGVDCM-UHFFFAOYSA-N 1 0 346.394 2.616 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000796315143 1292867873 /nfs/dbraw/zinc/86/78/73/1292867873.db2.gz FEOHTKUETDKLSX-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC001233598524 1312964259 /nfs/dbraw/zinc/96/42/59/1312964259.db2.gz BJQPCMYPTZBDST-TXEJJXNPSA-N 1 0 342.342 2.895 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000775554688 1293094556 /nfs/dbraw/zinc/09/45/56/1293094556.db2.gz ZEXFKXCGAVAFSE-OAHLLOKOSA-N 1 0 342.351 2.636 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC001233733039 1312980695 /nfs/dbraw/zinc/98/06/95/1312980695.db2.gz HQFUZUYWJIOJSS-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO Cc1occc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233733638 1312980710 /nfs/dbraw/zinc/98/07/10/1312980710.db2.gz OSTNRIGJNKRWKI-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882540426 1293239116 /nfs/dbraw/zinc/23/91/16/1293239116.db2.gz PQLQGSJPZPWJAK-GFCCVEGCSA-N 1 0 339.823 2.938 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000882986152 1293416856 /nfs/dbraw/zinc/41/68/56/1293416856.db2.gz IYKAWFZUCJSVFV-UHFFFAOYSA-N 1 0 339.411 2.929 20 5 EFBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000883451607 1293598408 /nfs/dbraw/zinc/59/84/08/1293598408.db2.gz SYCQJVDYMNMSQZ-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000883451476 1293598668 /nfs/dbraw/zinc/59/86/68/1293598668.db2.gz PYWNADRSUGWGKW-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000883456947 1293600552 /nfs/dbraw/zinc/60/05/52/1293600552.db2.gz ORFGQQJEXAKOPN-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001233984823 1313031454 /nfs/dbraw/zinc/03/14/54/1313031454.db2.gz PHHZHVAHSYVVOK-HWWDLCQESA-N 1 0 334.416 2.624 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000800124523 1293925168 /nfs/dbraw/zinc/92/51/68/1293925168.db2.gz GWNHWMUSSXUSNO-UHFFFAOYSA-N 1 0 335.404 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCCC[NH+]2CCCC2)c1 ZINC000800135592 1293928821 /nfs/dbraw/zinc/92/88/21/1293928821.db2.gz UXSSXEWPSKQUSD-UHFFFAOYSA-N 1 0 336.388 2.701 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000800135879 1293929140 /nfs/dbraw/zinc/92/91/40/1293929140.db2.gz HQNQMLAIYHRWFY-UHFFFAOYSA-N 1 0 346.387 2.669 20 5 EFBDRO COc1ccc(CC(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000800160803 1293936827 /nfs/dbraw/zinc/93/68/27/1293936827.db2.gz YQXUPJFJTAEBBW-UHFFFAOYSA-N 1 0 336.388 2.565 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCC[NH+]1CCCC1 ZINC000800222150 1293962519 /nfs/dbraw/zinc/96/25/19/1293962519.db2.gz XBVQBZHTILAAJL-UHFFFAOYSA-N 1 0 344.770 2.959 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1C ZINC000884269639 1294075582 /nfs/dbraw/zinc/07/55/82/1294075582.db2.gz SVUFLQYTDGEHTA-UHFFFAOYSA-N 1 0 331.416 2.817 20 5 EFBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001234061603 1313049621 /nfs/dbraw/zinc/04/96/21/1313049621.db2.gz OCBHOAHIJGMPNQ-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196301 1294225901 /nfs/dbraw/zinc/22/59/01/1294225901.db2.gz PSXXJDSGUXAVSI-MWLCHTKSSA-N 1 0 328.210 2.526 20 5 EFBDRO COc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000884856095 1294269189 /nfs/dbraw/zinc/26/91/89/1294269189.db2.gz ZWGYQSQPJAFZJM-LBPRGKRZSA-N 1 0 346.362 2.853 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000886226318 1294774095 /nfs/dbraw/zinc/77/40/95/1294774095.db2.gz LAUKYEUUCQGDDG-UHFFFAOYSA-N 1 0 326.400 2.744 20 5 EFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234360813 1313113363 /nfs/dbraw/zinc/11/33/63/1313113363.db2.gz VMQXSRZZVBCBPD-KOMQPUFPSA-N 1 0 349.431 2.683 20 5 EFBDRO COC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)cnc2ccc(OC)cc21 ZINC001234394942 1313118686 /nfs/dbraw/zinc/11/86/86/1313118686.db2.gz NKYKRFYUCBIETM-LBPRGKRZSA-N 1 0 333.408 2.504 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001234409777 1313122042 /nfs/dbraw/zinc/12/20/42/1313122042.db2.gz GXJZYZVVRCRWCS-UHFFFAOYSA-N 1 0 348.399 2.706 20 5 EFBDRO CC(C)OC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000886722185 1295121867 /nfs/dbraw/zinc/12/18/67/1295121867.db2.gz XTCLBUKANKNYJB-UHFFFAOYSA-N 1 0 336.388 2.637 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@H]2C[NH3+])c1C ZINC000886921794 1295214901 /nfs/dbraw/zinc/21/49/01/1295214901.db2.gz CHCFZBZQWDLAPG-AWEZNQCLSA-N 1 0 325.368 2.742 20 5 EFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000887134863 1295288970 /nfs/dbraw/zinc/28/89/70/1295288970.db2.gz RHPFYIYZJXCIBS-GFCCVEGCSA-N 1 0 348.353 2.979 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000252701792 1295307922 /nfs/dbraw/zinc/30/79/22/1295307922.db2.gz FHJAOSKNCGELIR-DGCLKSJQSA-N 1 0 342.237 2.917 20 5 EFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000903750078 1313161168 /nfs/dbraw/zinc/16/11/68/1313161168.db2.gz UJJILBNIKKILPU-ZDUSSCGKSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903751258 1313162206 /nfs/dbraw/zinc/16/22/06/1313162206.db2.gz HJQZVUBFUOZAPS-VHSXEESVSA-N 1 0 328.210 2.540 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000776004100 1295632712 /nfs/dbraw/zinc/63/27/12/1295632712.db2.gz ZAMJCLHCHNCEFH-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903752950 1313164700 /nfs/dbraw/zinc/16/47/00/1313164700.db2.gz QLZQZZSMNCDDNX-CYBMUJFWSA-N 1 0 342.237 2.835 20 5 EFBDRO CS[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000776001276 1295647299 /nfs/dbraw/zinc/64/72/99/1295647299.db2.gz NZLUFGPOVYEVCX-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO CS[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000776001280 1295648252 /nfs/dbraw/zinc/64/82/52/1295648252.db2.gz NZLUFGPOVYEVCX-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253194258 1295819537 /nfs/dbraw/zinc/81/95/37/1295819537.db2.gz PRKXVKUWPBCPAI-CMPLNLGQSA-N 1 0 342.237 2.774 20 5 EFBDRO C[C@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000889826851 1295838069 /nfs/dbraw/zinc/83/80/69/1295838069.db2.gz YXQDOMGGICDAAY-ZDUSSCGKSA-N 1 0 331.416 2.831 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889830766 1295840739 /nfs/dbraw/zinc/84/07/39/1295840739.db2.gz OOXBVVSRAQDKMD-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]C2CCC2)CC1 ZINC000889837742 1295844786 /nfs/dbraw/zinc/84/47/86/1295844786.db2.gz HRSYXMBTPUEBBX-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000890082646 1295894952 /nfs/dbraw/zinc/89/49/52/1295894952.db2.gz YBWLOWOGNBGSOZ-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO COc1ccc(Br)c(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001234936906 1313209912 /nfs/dbraw/zinc/20/99/12/1313209912.db2.gz VLLHQKWVRUTJII-JTQLQIEISA-N 1 0 333.246 2.940 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000098012831 1296293775 /nfs/dbraw/zinc/29/37/75/1296293775.db2.gz KUOYZADKNFBVNV-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO O=C(CCC(F)F)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001201649209 1296997640 /nfs/dbraw/zinc/99/76/40/1296997640.db2.gz UDVPDYCHSFOBJN-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776270218 1297323511 /nfs/dbraw/zinc/32/35/11/1297323511.db2.gz AXTVZXMQMAGFGX-MSOLQXFVSA-N 1 0 347.390 2.660 20 5 EFBDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271165 1297331062 /nfs/dbraw/zinc/33/10/62/1297331062.db2.gz IFVVMYKFHBATRV-MRXNPFEDSA-N 1 0 344.367 2.531 20 5 EFBDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271164 1297331338 /nfs/dbraw/zinc/33/13/38/1297331338.db2.gz IFVVMYKFHBATRV-INIZCTEOSA-N 1 0 344.367 2.531 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776271271 1297332223 /nfs/dbraw/zinc/33/22/23/1297332223.db2.gz JPWPDYHRDXXDHG-ZWKOTPCHSA-N 1 0 329.400 2.521 20 5 EFBDRO O=C(CCCF)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001205925208 1313376723 /nfs/dbraw/zinc/37/67/23/1313376723.db2.gz HHVNSKBUJUDELD-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000932215025 1297410581 /nfs/dbraw/zinc/41/05/81/1297410581.db2.gz BTPNTKWUZCYBTD-AWEZNQCLSA-N 1 0 328.372 2.827 20 5 EFBDRO NC(=O)[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)CCN1 ZINC001235754834 1313389316 /nfs/dbraw/zinc/38/93/16/1313389316.db2.gz TWMVCRLXMMYETG-LJQANCHMSA-N 1 0 343.430 2.843 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778250149 1297569555 /nfs/dbraw/zinc/56/95/55/1297569555.db2.gz RQXMCCYPQDYKHO-GFCCVEGCSA-N 1 0 341.358 2.533 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778284383 1297591387 /nfs/dbraw/zinc/59/13/87/1297591387.db2.gz STWLJSHAYRJAIR-ZDUSSCGKSA-N 1 0 341.358 2.677 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CC2 ZINC000935220037 1297618402 /nfs/dbraw/zinc/61/84/02/1297618402.db2.gz XJXXUHKQGCUXHB-IAGOWNOFSA-N 1 0 343.427 2.785 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935553600 1297641493 /nfs/dbraw/zinc/64/14/93/1297641493.db2.gz PIUPNGYEFHKXFI-HOTGVXAUSA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(CC3CC3)CC[NH2+]CC2)n1 ZINC001206324280 1313436251 /nfs/dbraw/zinc/43/62/51/1313436251.db2.gz ORQSWEZCAXIICB-UHFFFAOYSA-N 1 0 347.350 2.600 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000779527571 1298325226 /nfs/dbraw/zinc/32/52/26/1298325226.db2.gz GRSYLVYANQGDDT-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851952749 1299481718 /nfs/dbraw/zinc/48/17/18/1299481718.db2.gz PQAIMLWQWDFLQO-NSHDSACASA-N 1 0 339.367 2.690 20 5 EFBDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776579935 1299627729 /nfs/dbraw/zinc/62/77/29/1299627729.db2.gz PSZJZYPHJNFBOE-GOSISDBHSA-N 1 0 328.368 2.695 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000776581593 1299632367 /nfs/dbraw/zinc/63/23/67/1299632367.db2.gz KVKTXYKEIFJMIN-MSOLQXFVSA-N 1 0 333.432 2.579 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCOCCO)C2CCC2)ccc1Cl ZINC000852290108 1299634055 /nfs/dbraw/zinc/63/40/55/1299634055.db2.gz JGIMCXNMWDUUAO-UHFFFAOYSA-N 1 0 328.796 2.612 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852359895 1299675640 /nfs/dbraw/zinc/67/56/40/1299675640.db2.gz ZETVKRYKJSDCKG-GXTWGEPZSA-N 1 0 334.420 2.828 20 5 EFBDRO C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000776588765 1299684216 /nfs/dbraw/zinc/68/42/16/1299684216.db2.gz BOOSCOSLXIRZPC-QGZVFWFLSA-N 1 0 333.432 2.579 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCCC1 ZINC000852851852 1299913747 /nfs/dbraw/zinc/91/37/47/1299913747.db2.gz JYCRASUUBWHSIT-UHFFFAOYSA-N 1 0 346.431 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853135147 1300020445 /nfs/dbraw/zinc/02/04/45/1300020445.db2.gz ZZIHPXRVZUDPJX-CQSZACIVSA-N 1 0 341.289 2.832 20 5 EFBDRO C[NH+]1CCC(ONC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000854357431 1300532800 /nfs/dbraw/zinc/53/28/00/1300532800.db2.gz FHXBISNMDGRBAX-UHFFFAOYSA-N 1 0 348.186 2.657 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000854649903 1300651752 /nfs/dbraw/zinc/65/17/52/1300651752.db2.gz IYBRRTMCXOGHPX-ZWNOBZJWSA-N 1 0 325.796 2.721 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000854649901 1300651910 /nfs/dbraw/zinc/65/19/10/1300651910.db2.gz IYBRRTMCXOGHPX-GXFFZTMASA-N 1 0 325.796 2.721 20 5 EFBDRO C[NH+](C)CC1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000854722449 1300674299 /nfs/dbraw/zinc/67/42/99/1300674299.db2.gz XHPJGCRHFSVUDO-UHFFFAOYSA-N 1 0 332.187 2.535 20 5 EFBDRO CC(C)(F)C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000963482644 1300934855 /nfs/dbraw/zinc/93/48/55/1300934855.db2.gz XPQFTMBPRJYESM-UHFFFAOYSA-N 1 0 349.406 2.860 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000855897849 1301163185 /nfs/dbraw/zinc/16/31/85/1301163185.db2.gz HMZCXKMLFAIZSW-ZDUSSCGKSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000855897846 1301163745 /nfs/dbraw/zinc/16/37/45/1301163745.db2.gz HMZCXKMLFAIZSW-CYBMUJFWSA-N 1 0 337.395 2.893 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097036777 1313814252 /nfs/dbraw/zinc/81/42/52/1313814252.db2.gz DSKQUWBFWIKTEW-WKILWMFISA-N 1 0 346.431 2.530 20 5 EFBDRO CC[C@@H](C)C[N@H+](CC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000748260806 1313840452 /nfs/dbraw/zinc/84/04/52/1313840452.db2.gz CFGIRYYEOXAYJV-CYBMUJFWSA-N 1 0 348.403 2.689 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000795487441 1302444692 /nfs/dbraw/zinc/44/46/92/1302444692.db2.gz XXQIOUGXDUFPSZ-XNJJOIOASA-N 1 0 348.424 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862793002 1302461050 /nfs/dbraw/zinc/46/10/50/1302461050.db2.gz HKLHEMNTFPBYEK-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794606299 1302841875 /nfs/dbraw/zinc/84/18/75/1302841875.db2.gz PVTBYVUOQONGAL-GBESFXJTSA-N 1 0 344.411 2.976 20 5 EFBDRO COCCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CC[C@H](C)C1 ZINC000794645920 1302849076 /nfs/dbraw/zinc/84/90/76/1302849076.db2.gz QHMOKHXIEFWDEG-STQMWFEESA-N 1 0 349.387 2.597 20 5 EFBDRO C[C@H](CN(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)c1nccs1 ZINC000794638288 1302880476 /nfs/dbraw/zinc/88/04/76/1302880476.db2.gz CEYZVRIFUZQVAT-SNVBAGLBSA-N 1 0 348.384 2.652 20 5 EFBDRO CC[N@H+](CC1CCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000794684178 1302924125 /nfs/dbraw/zinc/92/41/25/1302924125.db2.gz TYZQBDYNMKJVOZ-UHFFFAOYSA-N 1 0 332.404 2.916 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000864612598 1302997406 /nfs/dbraw/zinc/99/74/06/1302997406.db2.gz AQMBPIROKOGPHN-UHFFFAOYSA-N 1 0 325.384 2.511 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864960789 1303102127 /nfs/dbraw/zinc/10/21/27/1303102127.db2.gz MZCUQMLXSJGQBM-ZDUSSCGKSA-N 1 0 339.411 2.903 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865029799 1303127502 /nfs/dbraw/zinc/12/75/02/1303127502.db2.gz VSBMYHNYGHQUJH-UHFFFAOYSA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000865344348 1303223504 /nfs/dbraw/zinc/22/35/04/1303223504.db2.gz GJDDSHNZFFAAJL-GOSISDBHSA-N 1 0 346.358 2.750 20 5 EFBDRO C[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000865503563 1303286435 /nfs/dbraw/zinc/28/64/35/1303286435.db2.gz UKOARXYZDCVVNS-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)F)c1 ZINC000865506708 1303288468 /nfs/dbraw/zinc/28/84/68/1303288468.db2.gz SQUFENQGDNWJPI-LSDHHAIUSA-N 1 0 341.358 2.568 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C[NH+]1CCOCC1 ZINC000865548451 1303306192 /nfs/dbraw/zinc/30/61/92/1303306192.db2.gz ARLDPIYQZTWZHD-LLVKDONJSA-N 1 0 329.347 2.913 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C[NH+]1CCOCC1 ZINC000865548452 1303306531 /nfs/dbraw/zinc/30/65/31/1303306531.db2.gz ARLDPIYQZTWZHD-NSHDSACASA-N 1 0 329.347 2.913 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(C(F)F)c1 ZINC000865843210 1303425987 /nfs/dbraw/zinc/42/59/87/1303425987.db2.gz LBYGFXAWQMHIMC-GFCCVEGCSA-N 1 0 329.347 2.791 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000866021609 1303491548 /nfs/dbraw/zinc/49/15/48/1303491548.db2.gz ZNVIWJOQVXQYQS-TZMCWYRMSA-N 1 0 337.395 2.608 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000866021606 1303491621 /nfs/dbraw/zinc/49/16/21/1303491621.db2.gz ZNVIWJOQVXQYQS-GXTWGEPZSA-N 1 0 337.395 2.608 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1 ZINC000866225338 1303572974 /nfs/dbraw/zinc/57/29/74/1303572974.db2.gz VFDWYZYAHQFOHP-CJNGLKHVSA-N 1 0 348.374 2.694 20 5 EFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242666 1303576746 /nfs/dbraw/zinc/57/67/46/1303576746.db2.gz LMQLCOJIMQDSOI-VXGBXAGGSA-N 1 0 325.384 2.559 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000866250889 1303580187 /nfs/dbraw/zinc/58/01/87/1303580187.db2.gz JVEHMNPVIHMASX-ZWNOBZJWSA-N 1 0 349.328 2.891 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000866250886 1303580854 /nfs/dbraw/zinc/58/08/54/1303580854.db2.gz JVEHMNPVIHMASX-GWCFXTLKSA-N 1 0 349.328 2.891 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccc(C(N)=O)c1 ZINC000866293607 1303591313 /nfs/dbraw/zinc/59/13/13/1303591313.db2.gz VBPLDOHXQRFPAU-LBPRGKRZSA-N 1 0 345.374 2.596 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000866312252 1303599546 /nfs/dbraw/zinc/59/95/46/1303599546.db2.gz ZSTOXDQUXWONNH-CZUORRHYSA-N 1 0 344.390 2.928 20 5 EFBDRO Cc1nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121102026 1303670247 /nfs/dbraw/zinc/67/02/47/1303670247.db2.gz OFNPNLLAWZCRBM-ZDUSSCGKSA-N 1 0 330.388 2.711 20 5 EFBDRO C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)CC(C)(C)C ZINC001097256102 1313931999 /nfs/dbraw/zinc/93/19/99/1313931999.db2.gz WFFNXBAQBZNUKV-GASCZTMLSA-N 1 0 348.447 2.632 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000121205292 1303782328 /nfs/dbraw/zinc/78/23/28/1303782328.db2.gz PNEWXPBDTHTRON-UHFFFAOYSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121219653 1303786181 /nfs/dbraw/zinc/78/61/81/1303786181.db2.gz CPKKSZMKNUFUBC-HNNXBMFYSA-N 1 0 343.431 2.628 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941295 1304030255 /nfs/dbraw/zinc/03/02/55/1304030255.db2.gz FVUSBEAOPKYUAD-HOPMXRPOSA-N 1 0 331.416 2.854 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947042 1304034943 /nfs/dbraw/zinc/03/49/43/1304034943.db2.gz NSXIQCDWYFHIOC-UGSOOPFHSA-N 1 0 327.384 2.955 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867947886 1304034978 /nfs/dbraw/zinc/03/49/78/1304034978.db2.gz MGMMTIMQYIWHLZ-UCLAIMLFSA-N 1 0 339.395 2.516 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867947881 1304035185 /nfs/dbraw/zinc/03/51/85/1304035185.db2.gz MGMMTIMQYIWHLZ-DKSSEZFCSA-N 1 0 339.395 2.516 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948419 1304036139 /nfs/dbraw/zinc/03/61/39/1304036139.db2.gz VSKFTCVCDANSAG-AEFFLSMTSA-N 1 0 343.358 2.712 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948199 1304037317 /nfs/dbraw/zinc/03/73/17/1304037317.db2.gz ZTRJALVUZRGDBV-HKUYNNGSSA-N 1 0 339.395 2.881 20 5 EFBDRO CCc1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867952010 1304039705 /nfs/dbraw/zinc/03/97/05/1304039705.db2.gz SXVMEXHZBKZSDO-LJQANCHMSA-N 1 0 341.411 2.690 20 5 EFBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867957313 1304044352 /nfs/dbraw/zinc/04/43/52/1304044352.db2.gz IWWGJMOGIVDVIC-SCLBCKFNSA-N 1 0 327.384 2.689 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000867976362 1304053860 /nfs/dbraw/zinc/05/38/60/1304053860.db2.gz ZJOUAKZBUZOBEO-JZXOWHBKSA-N 1 0 343.358 2.580 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000867976363 1304053905 /nfs/dbraw/zinc/05/39/05/1304053905.db2.gz ZJOUAKZBUZOBEO-LZLYRXPVSA-N 1 0 343.358 2.580 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867985260 1304059452 /nfs/dbraw/zinc/05/94/52/1304059452.db2.gz YSMUGCVNKHMOIM-SJLPKXTDSA-N 1 0 325.368 2.572 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868410358 1304282883 /nfs/dbraw/zinc/28/28/83/1304282883.db2.gz ZVMNGFMWKLTVAB-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO Cc1ccccc1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122278111 1304436318 /nfs/dbraw/zinc/43/63/18/1304436318.db2.gz JXTPYEZYQQBOPU-HNNXBMFYSA-N 1 0 342.399 2.863 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000869801596 1304976851 /nfs/dbraw/zinc/97/68/51/1304976851.db2.gz JTYKXTCEHQNTHV-WBVHZDCISA-N 1 0 347.459 2.706 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000870959147 1305711472 /nfs/dbraw/zinc/71/14/72/1305711472.db2.gz VNNGFSCPPNOMDJ-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000796530014 1305965025 /nfs/dbraw/zinc/96/50/25/1305965025.db2.gz DUOYWKAEROLAPB-INIZCTEOSA-N 1 0 331.347 2.782 20 5 EFBDRO CC1(NC(=O)c2ccc[nH]2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045364036 1307280872 /nfs/dbraw/zinc/28/08/72/1307280872.db2.gz VAWVYNNEFHQTQH-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO CC1(NC(=O)c2cc[nH]c2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045446617 1307344235 /nfs/dbraw/zinc/34/42/35/1307344235.db2.gz XCJBBRSAWBYMDY-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900478834 1308200007 /nfs/dbraw/zinc/20/00/07/1308200007.db2.gz YJQLZDMBXASWSR-JTQLQIEISA-N 1 0 326.784 2.902 20 5 EFBDRO CC(C)[NH+](Cc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1)C(C)C ZINC000900528981 1308264587 /nfs/dbraw/zinc/26/45/87/1308264587.db2.gz XDSFQIGZUGTENM-UHFFFAOYSA-N 1 0 335.383 2.993 20 5 EFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000900653835 1308478931 /nfs/dbraw/zinc/47/89/31/1308478931.db2.gz PLJURJRGRAEACX-DYVFJYSZSA-N 1 0 349.431 2.565 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900692158 1308541062 /nfs/dbraw/zinc/54/10/62/1308541062.db2.gz FEXIKVLKSZCGIE-LLVKDONJSA-N 1 0 331.775 2.703 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1nccc1-c1ccncc1 ZINC000800865896 1308574413 /nfs/dbraw/zinc/57/44/13/1308574413.db2.gz NFMXUQDJHVSPGW-UHFFFAOYSA-N 1 0 337.383 2.985 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000900769554 1308657535 /nfs/dbraw/zinc/65/75/35/1308657535.db2.gz NKCIXRULJSZHIZ-UHFFFAOYSA-N 1 0 344.415 2.744 20 5 EFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000900832472 1308739457 /nfs/dbraw/zinc/73/94/57/1308739457.db2.gz SOKUIJVUBSXPGA-JTQLQIEISA-N 1 0 329.759 2.554 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901026724 1309225777 /nfs/dbraw/zinc/22/57/77/1309225777.db2.gz OULWIOJUCNTWIC-PRHODGIISA-N 1 0 341.770 2.600 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000749268526 1311025363 /nfs/dbraw/zinc/02/53/63/1311025363.db2.gz LULLRULTCNLSHQ-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000749692955 1311038150 /nfs/dbraw/zinc/03/81/50/1311038150.db2.gz UVTNBLJDNXDXNY-JLSDUUJJSA-N 1 0 335.448 2.728 20 5 EFBDRO CCOC(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749692858 1311038176 /nfs/dbraw/zinc/03/81/76/1311038176.db2.gz SZDLOSUUQGMNQE-QGZVFWFLSA-N 1 0 344.367 2.595 20 5 EFBDRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222242104 1311103876 /nfs/dbraw/zinc/10/38/76/1311103876.db2.gz FPVJTOKVPHMDTD-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO CC(C)=CC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222302416 1311112495 /nfs/dbraw/zinc/11/24/95/1311112495.db2.gz DLPPEFCAWDWEAZ-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO O=C1CN(Cc2c3ccccc3cc3ccccc32)[C@]2(CC[NH2+]C2)CN1 ZINC001222372580 1311120749 /nfs/dbraw/zinc/12/07/49/1311120749.db2.gz CETFTXPGQDAUEE-QFIPXVFZSA-N 1 0 345.446 2.657 20 5 EFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751934978 1311141873 /nfs/dbraw/zinc/14/18/73/1311141873.db2.gz ULOUZJUODACEEC-YOEHRIQHSA-N 1 0 347.419 2.741 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001222931370 1311200461 /nfs/dbraw/zinc/20/04/61/1311200461.db2.gz IBLWEUHOQCBIAC-DPIQGUFMSA-N 1 0 331.372 2.983 20 5 EFBDRO COCCC[NH+]1CCC(OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001222931749 1311200551 /nfs/dbraw/zinc/20/05/51/1311200551.db2.gz MBJXYGXULSHTRD-UHFFFAOYSA-N 1 0 349.387 2.754 20 5 EFBDRO COC(=O)c1ccc(COC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001223413382 1311257848 /nfs/dbraw/zinc/25/78/48/1311257848.db2.gz LMVASVHHPCUEJL-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)[C@H](O[C@H]1CC[C@H]([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223643965 1311285943 /nfs/dbraw/zinc/28/59/43/1311285943.db2.gz RGOWTCXWYTVQPQ-XJKCOSOUSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cccc(COC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001223662642 1311289133 /nfs/dbraw/zinc/28/91/33/1311289133.db2.gz LWENGQULLXSXIH-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cccc(CO[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223663729 1311289149 /nfs/dbraw/zinc/28/91/49/1311289149.db2.gz ZHSLQDLNCWDKMP-CQSZACIVSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc(COC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001223691328 1311292511 /nfs/dbraw/zinc/29/25/11/1311292511.db2.gz RGOMHRRJEICTOW-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1c(C)c2ccccc2nc1CO[C@H](C)C[N+](C)(C)C ZINC001224071595 1311339029 /nfs/dbraw/zinc/33/90/29/1311339029.db2.gz TUHDSNOIFBKTTE-CYBMUJFWSA-N 1 0 331.436 2.941 20 5 EFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782518267 1311367452 /nfs/dbraw/zinc/36/74/52/1311367452.db2.gz BRXFEIUGBKIWDI-GUYCJALGSA-N 1 0 328.368 2.911 20 5 EFBDRO C[C@H](C[N+](C)(C)C)OCCCCOc1ccc2c(c1)NC(=O)CC2 ZINC001224474585 1311396111 /nfs/dbraw/zinc/39/61/11/1311396111.db2.gz KWIXOWHOMIPJCM-OAHLLOKOSA-O 1 0 335.468 2.842 20 5 EFBDRO C[NH+]1CC2(CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC001158869107 1311406179 /nfs/dbraw/zinc/40/61/79/1311406179.db2.gz VYZVOSAHNUMRSE-UHFFFAOYSA-N 1 0 328.347 2.548 20 5 EFBDRO COC(=O)CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)C ZINC000112959463 1311409002 /nfs/dbraw/zinc/40/90/02/1311409002.db2.gz JDNPZNFKCSRNRX-UHFFFAOYSA-N 1 0 346.387 2.689 20 5 EFBDRO C[N+](C)(C)CCCOC[C@@H]1Cc2cccc(Br)c2O1 ZINC001224624816 1311415331 /nfs/dbraw/zinc/41/53/31/1311415331.db2.gz ZRMGOGFMFBBBLS-ZDUSSCGKSA-N 1 0 329.258 2.866 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)c2c1 ZINC001159034295 1311438411 /nfs/dbraw/zinc/43/84/11/1311438411.db2.gz PZMYLFVPENCIBK-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO CCOC(=O)c1cc(Nc2cnc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC001159140381 1311459337 /nfs/dbraw/zinc/45/93/37/1311459337.db2.gz LQIUFYSTWVUMQJ-UHFFFAOYSA-N 1 0 342.355 2.556 20 5 EFBDRO C[NH+]1CC(CNc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001159222134 1311475614 /nfs/dbraw/zinc/47/56/14/1311475614.db2.gz HQGGELKEXGYDPX-UHFFFAOYSA-N 1 0 333.779 2.679 20 5 EFBDRO COc1ccc(Nc2cccnc2OC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159248931 1311480424 /nfs/dbraw/zinc/48/04/24/1311480424.db2.gz VHLBVKBCLLKCHR-UHFFFAOYSA-N 1 0 344.371 2.873 20 5 EFBDRO CC(C)C(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159306968 1311491363 /nfs/dbraw/zinc/49/13/63/1311491363.db2.gz XTRSLEZEKBRBEY-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO [NH3+][C@@H]1CCN(c2ncccc2Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001159330656 1311496295 /nfs/dbraw/zinc/49/62/95/1311496295.db2.gz SCAHKXJSRSVQEC-SNVBAGLBSA-N 1 0 333.779 2.924 20 5 EFBDRO COc1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)ccc1[N+](=O)[O-] ZINC001225436136 1311523520 /nfs/dbraw/zinc/52/35/20/1311523520.db2.gz OMQNVZMUJAYXNU-AWEZNQCLSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H](Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159500661 1311527584 /nfs/dbraw/zinc/52/75/84/1311527584.db2.gz FHNQLYVJVZFBJW-YMTOWFKASA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@@H](Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159501080 1311528249 /nfs/dbraw/zinc/52/82/49/1311528249.db2.gz YESHNSCFFFWBAS-SKDRFNHKSA-N 1 0 336.779 2.585 20 5 EFBDRO COc1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159630781 1311555549 /nfs/dbraw/zinc/55/55/49/1311555549.db2.gz CFGHIASSIITHND-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO C[C@@H](Oc1cccnc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225630085 1311556677 /nfs/dbraw/zinc/55/66/77/1311556677.db2.gz VRMWHTZWVQOAAX-RHSMWYFYSA-N 1 0 343.383 2.658 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225635059 1311557803 /nfs/dbraw/zinc/55/78/03/1311557803.db2.gz WOVQYMQSTKIEJV-HIFRSBDPSA-N 1 0 328.372 2.989 20 5 EFBDRO Nc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001159654136 1311559649 /nfs/dbraw/zinc/55/96/49/1311559649.db2.gz QPWXSAHFYITCIC-HNNXBMFYSA-N 1 0 341.415 2.691 20 5 EFBDRO O=c1cc[nH]c(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225661796 1311561218 /nfs/dbraw/zinc/56/12/18/1311561218.db2.gz PJGYZHOBXACYEB-AWEZNQCLSA-N 1 0 329.356 2.739 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225660361 1311561392 /nfs/dbraw/zinc/56/13/92/1311561392.db2.gz CQDXDPCLUNVUNR-XJKSGUPXSA-N 1 0 343.383 2.985 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667692 1311562336 /nfs/dbraw/zinc/56/23/36/1311562336.db2.gz WUQXLADZOUYTQP-CJNGLKHVSA-N 1 0 343.383 2.985 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667694 1311562505 /nfs/dbraw/zinc/56/25/05/1311562505.db2.gz WUQXLADZOUYTQP-XJKSGUPXSA-N 1 0 343.383 2.985 20 5 EFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2Br)CC1 ZINC001225757511 1311573628 /nfs/dbraw/zinc/57/36/28/1311573628.db2.gz QRBIFHQAFRWASJ-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225776190 1311575507 /nfs/dbraw/zinc/57/55/07/1311575507.db2.gz MDHBKYXIWZXCRS-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(F)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225962729 1311595537 /nfs/dbraw/zinc/59/55/37/1311595537.db2.gz LEYBEDJKUIFXRK-TXEJJXNPSA-N 1 0 342.342 2.895 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2ncccc12 ZINC001226117516 1311615870 /nfs/dbraw/zinc/61/58/70/1311615870.db2.gz PNROIDHDJAXHGC-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2ncccc12 ZINC001226117515 1311616168 /nfs/dbraw/zinc/61/61/68/1311616168.db2.gz PNROIDHDJAXHGC-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001226130446 1311617708 /nfs/dbraw/zinc/61/77/08/1311617708.db2.gz NKJWXBUTMRXHSU-JOCQHMNTSA-N 1 0 341.795 2.665 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3N)c2c1 ZINC001160013366 1311629167 /nfs/dbraw/zinc/62/91/67/1311629167.db2.gz QKVUIVSUHFZXLS-LLVKDONJSA-N 1 0 325.372 2.714 20 5 EFBDRO COc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160056949 1311637089 /nfs/dbraw/zinc/63/70/89/1311637089.db2.gz ASEUZRRSTBSGAG-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO COc1cc(Br)c(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226279345 1311641569 /nfs/dbraw/zinc/64/15/69/1311641569.db2.gz JRDAUDZPZJJMIW-QMMMGPOBSA-N 1 0 333.182 2.695 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])cc1Br ZINC001226340279 1311651923 /nfs/dbraw/zinc/65/19/23/1311651923.db2.gz XTPUORQQZVDJHZ-VIFPVBQESA-N 1 0 332.198 2.861 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC001226338888 1311651298 /nfs/dbraw/zinc/65/12/98/1311651298.db2.gz BXLMRSXKGNIJON-JTQLQIEISA-N 1 0 330.182 2.615 20 5 EFBDRO Cc1cc(Cl)nc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160200694 1311663724 /nfs/dbraw/zinc/66/37/24/1311663724.db2.gz SCPRMZNYBWMRJN-SNVBAGLBSA-N 1 0 334.763 2.809 20 5 EFBDRO [NH3+]Cc1nccnc1Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001160250669 1311673406 /nfs/dbraw/zinc/67/34/06/1311673406.db2.gz OINXUIJEIWETCL-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001226530135 1311683951 /nfs/dbraw/zinc/68/39/51/1311683951.db2.gz WEJGDVNUZVTWER-HNNXBMFYSA-N 1 0 348.399 2.820 20 5 EFBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579733 1311692013 /nfs/dbraw/zinc/69/20/13/1311692013.db2.gz SSSJISGUXFDDMM-QWHCGFSZSA-N 1 0 344.371 2.608 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001160394635 1311702715 /nfs/dbraw/zinc/70/27/15/1311702715.db2.gz LJSDONSLFSDATG-MEDUHNTESA-N 1 0 327.340 2.795 20 5 EFBDRO O=C(CCC1CC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226674587 1311706429 /nfs/dbraw/zinc/70/64/29/1311706429.db2.gz VKKDIQOWWNVUSI-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001160423419 1311706819 /nfs/dbraw/zinc/70/68/19/1311706819.db2.gz MRYKUPSWBHDWRP-UHFFFAOYSA-N 1 0 327.266 2.793 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC001226733707 1311715297 /nfs/dbraw/zinc/71/52/97/1311715297.db2.gz SHPSPPTYOAGUKI-HYVNUMGLSA-N 1 0 340.383 2.674 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226733190 1311715435 /nfs/dbraw/zinc/71/54/35/1311715435.db2.gz JILYGEKEEZGTOX-CZUORRHYSA-N 1 0 328.372 2.674 20 5 EFBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001160468868 1311717654 /nfs/dbraw/zinc/71/76/54/1311717654.db2.gz KDMTXEJIFKZAIW-XYYAHUGASA-N 1 0 327.388 2.965 20 5 EFBDRO COC(=O)c1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226900833 1311738466 /nfs/dbraw/zinc/73/84/66/1311738466.db2.gz ZYIVMHXBGJHTJA-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CCO1 ZINC001160734709 1311771558 /nfs/dbraw/zinc/77/15/58/1311771558.db2.gz HPSMECYABUIRCL-FQEVSTJZSA-N 1 0 334.419 2.940 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1Cl ZINC001160737100 1311771904 /nfs/dbraw/zinc/77/19/04/1311771904.db2.gz OEMNNTBDUQGOBQ-SFYZADRCSA-N 1 0 338.717 2.904 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160738489 1311772019 /nfs/dbraw/zinc/77/20/19/1311772019.db2.gz MSAFJVBGGUQSDK-OAQYLSRUSA-N 1 0 333.435 2.642 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001160739645 1311772435 /nfs/dbraw/zinc/77/24/35/1311772435.db2.gz VJMFECDURUZKIJ-NRFANRHFSA-N 1 0 347.462 2.855 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NCC[NH+]3CCC(F)(F)CC3)c2c1 ZINC001160748965 1311773942 /nfs/dbraw/zinc/77/39/42/1311773942.db2.gz FZLZCLBRSVLNOI-UHFFFAOYSA-N 1 0 337.330 2.681 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001160759753 1311775673 /nfs/dbraw/zinc/77/56/73/1311775673.db2.gz MSBUQUIGGSULDJ-UHFFFAOYSA-N 1 0 347.762 2.758 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001227221648 1311778944 /nfs/dbraw/zinc/77/89/44/1311778944.db2.gz SHDRMAXHTRGQOP-KSPBDQMDSA-N 1 0 343.383 2.958 20 5 EFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902481425 1311780927 /nfs/dbraw/zinc/78/09/27/1311780927.db2.gz CRUNIWSHQAMSHV-RDJZCZTQSA-N 1 0 343.431 2.540 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001227257341 1311784150 /nfs/dbraw/zinc/78/41/50/1311784150.db2.gz WPQLFEZGHSHOEK-VIFPVBQESA-N 1 0 330.182 2.615 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001227309418 1311792169 /nfs/dbraw/zinc/79/21/69/1311792169.db2.gz LAXPNANMEFYQNQ-LLVKDONJSA-O 1 0 344.387 2.831 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227449948 1311807639 /nfs/dbraw/zinc/80/76/39/1311807639.db2.gz YCBLJBPTYWBXBW-ZDUSSCGKSA-N 1 0 342.395 2.640 20 5 EFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@H](C[NH3+])C(C)(C)C ZINC001160912572 1311808472 /nfs/dbraw/zinc/80/84/72/1311808472.db2.gz QRLYTQIIAXZPPI-VIFPVBQESA-N 1 0 344.799 2.605 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001048493785 1311823408 /nfs/dbraw/zinc/82/34/08/1311823408.db2.gz LFQLSWAHOZTNPZ-SHHSBJBSSA-N 1 0 349.456 2.926 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160970476 1311824492 /nfs/dbraw/zinc/82/44/92/1311824492.db2.gz KOMFIJBEAFIDGX-CYBMUJFWSA-N 1 0 327.388 2.948 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)c1cccs1 ZINC001227693249 1311840627 /nfs/dbraw/zinc/84/06/27/1311840627.db2.gz QGVYYXCZUIZZJN-NSHDSACASA-N 1 0 347.400 2.999 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001161025934 1311840988 /nfs/dbraw/zinc/84/09/88/1311840988.db2.gz PNPGDDHDAIYUPP-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO COc1cccc([N+](=O)[O-])c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001227695184 1311841159 /nfs/dbraw/zinc/84/11/59/1311841159.db2.gz DUNJZCQFWLJGOC-ZDUSSCGKSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2cccnc21 ZINC001227699678 1311841601 /nfs/dbraw/zinc/84/16/01/1311841601.db2.gz YTVQAEJXFABYTD-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)c2ccncc21 ZINC001227765987 1311852238 /nfs/dbraw/zinc/85/22/38/1311852238.db2.gz DBVBQHYNWQULTG-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000902542581 1311854296 /nfs/dbraw/zinc/85/42/96/1311854296.db2.gz NUCSUOUJOJFSPP-INIZCTEOSA-N 1 0 345.447 2.873 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990705 1311885219 /nfs/dbraw/zinc/88/52/19/1311885219.db2.gz PFSZOJACSZXOAA-DZGCQCFKSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990708 1311885295 /nfs/dbraw/zinc/88/52/95/1311885295.db2.gz PFSZOJACSZXOAA-ZFWWWQNUSA-N 1 0 328.372 2.989 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491068 1311899226 /nfs/dbraw/zinc/89/92/26/1311899226.db2.gz DRCPEEWCGQJVNV-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228139322 1311905688 /nfs/dbraw/zinc/90/56/88/1311905688.db2.gz QVGSWIMFDSMIFV-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO Cc1cc(C)nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001161576455 1311920703 /nfs/dbraw/zinc/92/07/03/1311920703.db2.gz ZNNQKBAKBXLCAF-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1cc(Cl)nc(N2CCC([NH3+])(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC001161582698 1311921951 /nfs/dbraw/zinc/92/19/51/1311921951.db2.gz DVHUVYJSVHIXJD-UHFFFAOYSA-N 1 0 347.806 2.801 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1(CCF)CC1 ZINC001228408101 1311942552 /nfs/dbraw/zinc/94/25/52/1311942552.db2.gz NIFOLQMLPRILGM-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(CCF)CC1 ZINC001228407759 1311942618 /nfs/dbraw/zinc/94/26/18/1311942618.db2.gz CZPMCCRDYDIYES-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO CC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001048592981 1311945300 /nfs/dbraw/zinc/94/53/00/1311945300.db2.gz KTDNMVHCYRCOON-JOCQHMNTSA-N 1 0 325.434 2.688 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001228481806 1311954062 /nfs/dbraw/zinc/95/40/62/1311954062.db2.gz WUHCILXFEHTTQP-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO CN1CC[NH+](CCCNc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001161708528 1311956432 /nfs/dbraw/zinc/95/64/32/1311956432.db2.gz MXXCMVZKCXFCQM-UHFFFAOYSA-N 1 0 334.464 2.942 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001228612767 1311970370 /nfs/dbraw/zinc/97/03/70/1311970370.db2.gz MBLKOKSKAIEKHD-JOCQHMNTSA-N 1 0 342.342 2.895 20 5 EFBDRO COCCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC001228677823 1311980196 /nfs/dbraw/zinc/98/01/96/1311980196.db2.gz SWBRCQBCUABDLR-UHFFFAOYSA-N 1 0 348.403 2.659 20 5 EFBDRO Cc1nc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161826342 1311982799 /nfs/dbraw/zinc/98/27/99/1311982799.db2.gz CIWFRPBFZIRFLG-MRXNPFEDSA-N 1 0 345.378 2.985 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161827484 1311983297 /nfs/dbraw/zinc/98/32/97/1311983297.db2.gz NPNZOBIAKVQANF-MRXNPFEDSA-N 1 0 345.378 2.864 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1nncc2ccc(Br)cc21 ZINC001228767014 1311995453 /nfs/dbraw/zinc/99/54/53/1311995453.db2.gz ZDIZMHBARDPZAV-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO CC(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048649223 1312005288 /nfs/dbraw/zinc/00/52/88/1312005288.db2.gz JIMRPSGUNWGQOU-IYBDPMFKSA-N 1 0 331.416 2.531 20 5 EFBDRO CCOc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001161983463 1312020926 /nfs/dbraw/zinc/02/09/26/1312020926.db2.gz YCHSLCCMQMLOEU-LLVKDONJSA-N 1 0 343.387 2.643 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939603 1312023692 /nfs/dbraw/zinc/02/36/92/1312023692.db2.gz VTFOGOLXQKRCTC-MRVPVSSYSA-N 1 0 333.157 2.969 20 5 EFBDRO [NH3+]CCN(c1cccc2ccccc21)c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162004841 1312026644 /nfs/dbraw/zinc/02/66/44/1312026644.db2.gz IWORLKCJLSFCJC-UHFFFAOYSA-N 1 0 342.330 2.617 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001228962244 1312027713 /nfs/dbraw/zinc/02/77/13/1312027713.db2.gz HMPLXXLWHKDHKV-JTQLQIEISA-N 1 0 328.752 2.508 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC001162075981 1312042545 /nfs/dbraw/zinc/04/25/45/1312042545.db2.gz UGJWOYOSJCGOIP-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001162098511 1312047586 /nfs/dbraw/zinc/04/75/86/1312047586.db2.gz UHQQQLGQRCDKMV-HNNXBMFYSA-N 1 0 340.427 2.967 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(NC(C)=O)c([N+](=O)[O-])cc2C(C)=O)C1 ZINC001229128496 1312051360 /nfs/dbraw/zinc/05/13/60/1312051360.db2.gz WXWXVBRIJOIYOI-ZDUSSCGKSA-N 1 0 349.387 2.619 20 5 EFBDRO CC(=O)c1cccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001229133004 1312052076 /nfs/dbraw/zinc/05/20/76/1312052076.db2.gz ZIVHCTZNPCJSEF-CQSZACIVSA-N 1 0 348.399 2.820 20 5 EFBDRO CC(C)(C)[NH+]1CC(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001162226388 1312071530 /nfs/dbraw/zinc/07/15/30/1312071530.db2.gz QVGVUPKTSKUULK-UHFFFAOYSA-N 1 0 327.388 2.946 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CCC1 ZINC001229288944 1312072861 /nfs/dbraw/zinc/07/28/61/1312072861.db2.gz FWRXNYYGBIUNPB-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO O=C(CCC1CC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048730920 1312083756 /nfs/dbraw/zinc/08/37/56/1312083756.db2.gz YMWWAGOAAFLTLX-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO Cc1cc(N[C@]2(C)CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162340399 1312090051 /nfs/dbraw/zinc/09/00/51/1312090051.db2.gz RFJFUTHHAQSRMF-GOSISDBHSA-N 1 0 341.415 2.678 20 5 EFBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001162340108 1312090064 /nfs/dbraw/zinc/09/00/64/1312090064.db2.gz PFFYZDXPGQGBCW-QGZVFWFLSA-N 1 0 327.388 2.948 20 5 EFBDRO C[N@@H+]1CCC[C@](C)(NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001162341130 1312090129 /nfs/dbraw/zinc/09/01/29/1312090129.db2.gz IWFNJNWWWPUJCS-LBPRGKRZSA-N 1 0 334.754 2.766 20 5 EFBDRO C[N@@H+]1CCC[C@@](C)(NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001162341129 1312090399 /nfs/dbraw/zinc/09/03/99/1312090399.db2.gz IWFNJNWWWPUJCS-GFCCVEGCSA-N 1 0 334.754 2.766 20 5 EFBDRO C[NH+](C)CCOc1cc(N[C@H]2CC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC001162360265 1312093973 /nfs/dbraw/zinc/09/39/73/1312093973.db2.gz DUBWRWNXHWBEIP-WJYNOGRTSA-N 1 0 337.420 2.641 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001162397862 1312097848 /nfs/dbraw/zinc/09/78/48/1312097848.db2.gz ZJXCINLAKJRCFW-RYUDHWBXSA-N 1 0 329.360 2.859 20 5 EFBDRO C[C@@H]([C@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])c1ccccc1)[NH+]1CCCC1 ZINC001229453080 1312098994 /nfs/dbraw/zinc/09/89/94/1312098994.db2.gz BPJRPOXIBPOWQI-KSSFIOAISA-N 1 0 343.383 2.833 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001162465313 1312108788 /nfs/dbraw/zinc/10/87/88/1312108788.db2.gz FRNRIYRXSNXDSQ-TZMCWYRMSA-N 1 0 335.404 2.819 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Br)cnc1[N+](=O)[O-])C2 ZINC001229561934 1312113570 /nfs/dbraw/zinc/11/35/70/1312113570.db2.gz BORSAJOFUGECTQ-JGPRNRPPSA-N 1 0 342.193 2.756 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229563728 1312114347 /nfs/dbraw/zinc/11/43/47/1312114347.db2.gz WFFDFFSZBQVOMO-VIFPVBQESA-N 1 0 332.198 2.861 20 5 EFBDRO CC(C)=C(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048761919 1312114648 /nfs/dbraw/zinc/11/46/48/1312114648.db2.gz YDRDXZOZFOZDOC-GASCZTMLSA-N 1 0 347.390 2.748 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001162562496 1312124580 /nfs/dbraw/zinc/12/45/80/1312124580.db2.gz QFXBRFNEFCOUHG-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001162562627 1312125120 /nfs/dbraw/zinc/12/51/20/1312125120.db2.gz CTXQVEBFCNWRRY-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001162587050 1312130115 /nfs/dbraw/zinc/13/01/15/1312130115.db2.gz NHFNBLAMSKFVIK-INIZCTEOSA-N 1 0 339.367 2.665 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC001162601815 1312133340 /nfs/dbraw/zinc/13/33/40/1312133340.db2.gz QSYRFUFXJUPUFH-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC(=O)N(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC001162639203 1312141037 /nfs/dbraw/zinc/14/10/37/1312141037.db2.gz QAUSXTOJFGZHSN-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO C[C@@H](C[NH+](C)C)Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229804008 1312143018 /nfs/dbraw/zinc/14/30/18/1312143018.db2.gz VCEAHGLYWRZYCV-JTQLQIEISA-N 1 0 329.352 2.686 20 5 EFBDRO Cc1nc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncc1[N+](=O)[O-] ZINC001162660066 1312145547 /nfs/dbraw/zinc/14/55/47/1312145547.db2.gz ASWRDQUMRNQTFH-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(CC[NH3+])c2c1cccc2Cl ZINC001162659299 1312145578 /nfs/dbraw/zinc/14/55/78/1312145578.db2.gz YSMBKMUVSIZNQQ-UHFFFAOYSA-N 1 0 346.774 2.635 20 5 EFBDRO CC[NH+]1CCC(Oc2c([N+](=O)[O-])cc(C)c(OC)c2[N+](=O)[O-])CC1 ZINC001229869710 1312151897 /nfs/dbraw/zinc/15/18/97/1312151897.db2.gz HQJDEBOARPXLKH-UHFFFAOYSA-N 1 0 339.348 2.683 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229897940 1312156737 /nfs/dbraw/zinc/15/67/37/1312156737.db2.gz APTVYDFHDFGSCE-VIKVFOODSA-N 1 0 348.399 2.799 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001229901148 1312157113 /nfs/dbraw/zinc/15/71/13/1312157113.db2.gz XNRSUBKAFORLLL-ZDUSSCGKSA-N 1 0 336.388 2.941 20 5 EFBDRO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001229937951 1312162057 /nfs/dbraw/zinc/16/20/57/1312162057.db2.gz FOGSGPRECGVMDR-LLVKDONJSA-N 1 0 340.351 2.772 20 5 EFBDRO COC(=O)c1cc(Br)c(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229960252 1312163229 /nfs/dbraw/zinc/16/32/29/1312163229.db2.gz VWCGRBCZCOVFOC-VIFPVBQESA-N 1 0 349.220 2.848 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](C(C)C)CC1 ZINC001229961410 1312163803 /nfs/dbraw/zinc/16/38/03/1312163803.db2.gz XOLGBKFXMWNZSZ-UHFFFAOYSA-N 1 0 336.388 2.941 20 5 EFBDRO COc1nc(C)c(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162766870 1312171726 /nfs/dbraw/zinc/17/17/26/1312171726.db2.gz QWBRSOQGQCUJSY-VIFPVBQESA-N 1 0 327.344 2.665 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001230038224 1312175571 /nfs/dbraw/zinc/17/55/71/1312175571.db2.gz RYAVXZKHISAUMQ-SNVBAGLBSA-N 1 0 344.209 2.922 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001230037471 1312175843 /nfs/dbraw/zinc/17/58/43/1312175843.db2.gz JXVKMIDOQVXBKA-NSHDSACASA-N 1 0 342.193 2.534 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)ccc21 ZINC001162799075 1312178519 /nfs/dbraw/zinc/17/85/19/1312178519.db2.gz WOYJTPGTWFUJTD-GLXFQSAKSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162804081 1312179029 /nfs/dbraw/zinc/17/90/29/1312179029.db2.gz ZUDSGYNOTMKYKB-SDDRHHMPSA-N 1 0 330.775 2.982 20 5 EFBDRO CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810110 1312181110 /nfs/dbraw/zinc/18/11/10/1312181110.db2.gz DBHQQVCIMCEVLX-QZTJIDSGSA-N 1 0 347.459 2.503 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162844245 1312188270 /nfs/dbraw/zinc/18/82/70/1312188270.db2.gz KVXPQSFUJOCZGD-NSHDSACASA-N 1 0 339.330 2.699 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162854786 1312190901 /nfs/dbraw/zinc/19/09/01/1312190901.db2.gz WEQCVOOUGATDMK-CYBMUJFWSA-N 1 0 341.367 2.793 20 5 EFBDRO COc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)nc(C)c1[N+](=O)[O-] ZINC001162898295 1312199793 /nfs/dbraw/zinc/19/97/93/1312199793.db2.gz AXGCLKUGWPQVQX-SECBINFHSA-N 1 0 327.344 2.665 20 5 EFBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc1-2 ZINC001230225303 1312206739 /nfs/dbraw/zinc/20/67/39/1312206739.db2.gz OUXUZYYSDIULDN-CYBMUJFWSA-N 1 0 339.355 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966067 1312214142 /nfs/dbraw/zinc/21/41/42/1312214142.db2.gz QCDIWHJAVCHEPN-LLVKDONJSA-N 1 0 340.811 2.604 20 5 EFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cn2)cc1 ZINC001162982455 1312218641 /nfs/dbraw/zinc/21/86/41/1312218641.db2.gz ALHNRBGGTZFBQD-DOTOQJQBSA-N 1 0 341.371 2.874 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163051800 1312232615 /nfs/dbraw/zinc/23/26/15/1312232615.db2.gz CGXUKPDJKAQQLV-CQSZACIVSA-N 1 0 338.367 2.921 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163059455 1312234725 /nfs/dbraw/zinc/23/47/25/1312234725.db2.gz DWEUTXUXSAYADK-LLVKDONJSA-N 1 0 336.342 2.896 20 5 EFBDRO COc1cc([N+](=O)[O-])c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1F ZINC001163061004 1312234873 /nfs/dbraw/zinc/23/48/73/1312234873.db2.gz QNJKPXOTNWAXGQ-GFCCVEGCSA-N 1 0 348.378 2.766 20 5 EFBDRO COc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc([N+](=O)[O-])c1C ZINC001163061566 1312235265 /nfs/dbraw/zinc/23/52/65/1312235265.db2.gz XYGLCEOOEKPKMP-CQSZACIVSA-N 1 0 344.415 2.935 20 5 EFBDRO COc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc([N+](=O)[O-])c1C ZINC001163061565 1312235273 /nfs/dbraw/zinc/23/52/73/1312235273.db2.gz XYGLCEOOEKPKMP-AWEZNQCLSA-N 1 0 344.415 2.935 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163262931 1312276655 /nfs/dbraw/zinc/27/66/55/1312276655.db2.gz QRCZBWUOZIBMOK-HDBBIHSSSA-N 1 0 344.184 2.906 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163186632 1312259338 /nfs/dbraw/zinc/25/93/38/1312259338.db2.gz JRMGQJBYYAEYIB-UHFFFAOYSA-N 1 0 333.845 2.712 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2C[NH2+]Cc3ccsc32)s1 ZINC001163226236 1312268551 /nfs/dbraw/zinc/26/85/51/1312268551.db2.gz DEAYGKYDNIWMET-VIFPVBQESA-N 1 0 333.398 2.917 20 5 EFBDRO CC(C)(C)c1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163268157 1312278633 /nfs/dbraw/zinc/27/86/33/1312278633.db2.gz AUUCCKUSODYWMG-UGSOOPFHSA-N 1 0 348.447 2.858 20 5 EFBDRO CC(C)Oc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC001163275916 1312279966 /nfs/dbraw/zinc/27/99/66/1312279966.db2.gz NGFJUAVIAOGSQD-HNNXBMFYSA-N 1 0 342.399 2.903 20 5 EFBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163279267 1312281028 /nfs/dbraw/zinc/28/10/28/1312281028.db2.gz KXKHKTYOMFSJSS-YVEFUNNKSA-N 1 0 330.388 2.647 20 5 EFBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001163310505 1312286725 /nfs/dbraw/zinc/28/67/25/1312286725.db2.gz YRNNLVDLHCKMOY-CYBMUJFWSA-N 1 0 327.344 2.592 20 5 EFBDRO COc1nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163315913 1312287582 /nfs/dbraw/zinc/28/75/82/1312287582.db2.gz UFEXYTMRFSEKCL-CYBMUJFWSA-N 1 0 347.419 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc21 ZINC001163317211 1312288031 /nfs/dbraw/zinc/28/80/31/1312288031.db2.gz UCQZHTWGKFSLLS-DYVFJYSZSA-N 1 0 346.362 2.605 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163319226 1312288422 /nfs/dbraw/zinc/28/84/22/1312288422.db2.gz CXURYFJQNODFLA-ZDUSSCGKSA-N 1 0 331.420 2.805 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163327084 1312290215 /nfs/dbraw/zinc/29/02/15/1312290215.db2.gz IZCUYBUCMWOWTG-MENSMJJYSA-N 1 0 337.807 2.910 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163360130 1312295509 /nfs/dbraw/zinc/29/55/09/1312295509.db2.gz BXIXPTWQOKDLPG-GXSJLCMTSA-N 1 0 327.816 2.877 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([NH2+]C2CCC2)CC1 ZINC000903036552 1312299433 /nfs/dbraw/zinc/29/94/33/1312299433.db2.gz KMYHPYIJOVVKAH-UHFFFAOYSA-N 1 0 336.367 2.872 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3C[NH+]4CCC3CC4)nn2)c1 ZINC001163388522 1312302051 /nfs/dbraw/zinc/30/20/51/1312302051.db2.gz YMIRBNYSTDJSIJ-INIZCTEOSA-N 1 0 325.372 2.558 20 5 EFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@H]3C[NH+]4CCC3CC4)cn2)cc1 ZINC001163393238 1312303127 /nfs/dbraw/zinc/30/31/27/1312303127.db2.gz RUPFZOZYGZCBTE-INIZCTEOSA-N 1 0 341.371 2.683 20 5 EFBDRO Cc1cc(N(C)CCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163600265 1312344748 /nfs/dbraw/zinc/34/47/48/1312344748.db2.gz DPOPPFVRQIITLY-UHFFFAOYSA-N 1 0 329.404 2.748 20 5 EFBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ccnc21 ZINC001163649787 1312354241 /nfs/dbraw/zinc/35/42/41/1312354241.db2.gz DZQWKRGYSORHSJ-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO CN(CC[NH3+])c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001163686610 1312363461 /nfs/dbraw/zinc/36/34/61/1312363461.db2.gz ANGTZTWLKRPXGI-UHFFFAOYSA-N 1 0 340.742 2.970 20 5 EFBDRO C[C@@H](C[NH+](C)C)Nc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001163770945 1312381164 /nfs/dbraw/zinc/38/11/64/1312381164.db2.gz UPIUJIRAUVMDPM-LBPRGKRZSA-N 1 0 343.387 2.604 20 5 EFBDRO CC[N@@H+]1CCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001163771211 1312381237 /nfs/dbraw/zinc/38/12/37/1312381237.db2.gz GVRRLCDNAZUCCK-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H](C)C[NH+](C)C ZINC001163778183 1312383085 /nfs/dbraw/zinc/38/30/85/1312383085.db2.gz DKBJBVBXUYQINT-SNVBAGLBSA-N 1 0 349.822 2.798 20 5 EFBDRO CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)CC1 ZINC001049034276 1312384725 /nfs/dbraw/zinc/38/47/25/1312384725.db2.gz JDMWKUHWMFXYGF-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000903129207 1312385788 /nfs/dbraw/zinc/38/57/88/1312385788.db2.gz SCIJWXQMXGEIAA-PMPSAXMXSA-N 1 0 332.400 2.847 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001230913083 1312390488 /nfs/dbraw/zinc/39/04/88/1312390488.db2.gz QTAVSNOIGXCBMU-DABQJJPHSA-N 1 0 334.372 2.776 20 5 EFBDRO O=[N+]([O-])c1cc(NCc2cccnc2C2CC[NH2+]CC2)cnc1F ZINC001163914960 1312406980 /nfs/dbraw/zinc/40/69/80/1312406980.db2.gz MQDOCUKTYBMUOB-UHFFFAOYSA-N 1 0 331.351 2.603 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC=CC1 ZINC001163918144 1312407522 /nfs/dbraw/zinc/40/75/22/1312407522.db2.gz LDMFQQAKINKYCE-UHFFFAOYSA-N 1 0 343.427 2.937 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231055441 1312419790 /nfs/dbraw/zinc/41/97/90/1312419790.db2.gz JWQWPBHVCSGGQJ-ATCWAGBWSA-N 1 0 328.372 2.647 20 5 EFBDRO C[NH+](C)Cc1cccc(CNc2cc([N+](=O)[O-])c3nccn3c2)c1 ZINC001163994968 1312422446 /nfs/dbraw/zinc/42/24/46/1312422446.db2.gz XOGSIRRCVILTNL-UHFFFAOYSA-N 1 0 325.372 2.916 20 5 EFBDRO C[NH+](C)Cc1cccc(CNc2cccc3ncc([N+](=O)[O-])n32)c1 ZINC001163997938 1312423910 /nfs/dbraw/zinc/42/39/10/1312423910.db2.gz DMMVHELSTVYPDA-UHFFFAOYSA-N 1 0 325.372 2.916 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2nc(C)c(Br)cc2[N+](=O)[O-])C1 ZINC001231119794 1312436167 /nfs/dbraw/zinc/43/61/67/1312436167.db2.gz ABSAEPUBPMPNQH-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164068511 1312440781 /nfs/dbraw/zinc/44/07/81/1312440781.db2.gz GGKSCQOYBUAXKQ-BDAKNGLRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164068512 1312440838 /nfs/dbraw/zinc/44/08/38/1312440838.db2.gz GGKSCQOYBUAXKQ-DTWKUNHWSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164077477 1312442411 /nfs/dbraw/zinc/44/24/11/1312442411.db2.gz JIFFPYTUBDBOPE-VHSXEESVSA-N 1 0 335.795 2.755 20 5 EFBDRO CN(C)c1ccnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903199490 1312455846 /nfs/dbraw/zinc/45/58/46/1312455846.db2.gz ZKRORKXNVZIHPZ-HZPDHXFCSA-N 1 0 344.419 2.526 20 5 EFBDRO CSc1nc(Cl)nc(N2CCC[C@@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164247094 1312477676 /nfs/dbraw/zinc/47/76/76/1312477676.db2.gz HOWDJQRLABJIQD-CYBMUJFWSA-N 1 0 345.856 2.715 20 5 EFBDRO CSc1nc(Cl)nc(N2CCC[C@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164247096 1312477756 /nfs/dbraw/zinc/47/77/56/1312477756.db2.gz HOWDJQRLABJIQD-ZDUSSCGKSA-N 1 0 345.856 2.715 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001231401963 1312487894 /nfs/dbraw/zinc/48/78/94/1312487894.db2.gz FVMXVHZMZDQGFR-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231397969 1312487979 /nfs/dbraw/zinc/48/79/79/1312487979.db2.gz PYEFTYUXXGQDQQ-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164460702 1312518212 /nfs/dbraw/zinc/51/82/12/1312518212.db2.gz FYRUMTNRDGPFKC-RKDXNWHRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164460699 1312518434 /nfs/dbraw/zinc/51/84/34/1312518434.db2.gz FYRUMTNRDGPFKC-BDAKNGLRSA-N 1 0 334.754 2.752 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC001164503898 1312528388 /nfs/dbraw/zinc/52/83/88/1312528388.db2.gz ZIDLPBJONHMCCD-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001164608522 1312549449 /nfs/dbraw/zinc/54/94/49/1312549449.db2.gz SKGDXCMRWLUZBS-ZDUSSCGKSA-N 1 0 332.791 2.664 20 5 EFBDRO COc1cnc(N2CCC(C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC001165066008 1312562082 /nfs/dbraw/zinc/56/20/82/1312562082.db2.gz SFRZCDHFZFQEKU-UHFFFAOYSA-N 1 0 334.420 2.557 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC[C@H]3C[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001165076662 1312563355 /nfs/dbraw/zinc/56/33/55/1312563355.db2.gz IQRRZCDVPDIBDL-HNNXBMFYSA-N 1 0 341.415 2.891 20 5 EFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC001165109972 1312569598 /nfs/dbraw/zinc/56/95/98/1312569598.db2.gz QFNNOINAGLWPAJ-INIZCTEOSA-N 1 0 348.447 2.686 20 5 EFBDRO Cc1ccc(-c2ccc(N(C)CC[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC001165141812 1312576913 /nfs/dbraw/zinc/57/69/13/1312576913.db2.gz MFVJFYWKYVWKPH-UHFFFAOYSA-N 1 0 341.415 2.892 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903343799 1312584251 /nfs/dbraw/zinc/58/42/51/1312584251.db2.gz SGXIPPDVHGNZPJ-YJBOKZPZSA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(-n3ncc4c3CC[NH2+]C4)c2c1 ZINC001165220127 1312589429 /nfs/dbraw/zinc/58/94/29/1312589429.db2.gz FVKFRIVTYMNHBT-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CCC4(CCCC[NH2+]4)CC3)nc2c1 ZINC001165247384 1312594719 /nfs/dbraw/zinc/59/47/19/1312594719.db2.gz XFSINWIRQZUEJO-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279537 1312601859 /nfs/dbraw/zinc/60/18/59/1312601859.db2.gz VWWKYUKDGLKDPF-CYBMUJFWSA-N 1 0 335.404 2.915 20 5 EFBDRO CCc1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165298683 1312604859 /nfs/dbraw/zinc/60/48/59/1312604859.db2.gz WYRGDWBMRKCAEX-JKSUJKDBSA-N 1 0 339.399 2.555 20 5 EFBDRO CCOC(=O)c1cc(NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001165300079 1312605357 /nfs/dbraw/zinc/60/53/57/1312605357.db2.gz HBMGQXWMFDBOHL-ZDUSSCGKSA-N 1 0 335.404 2.915 20 5 EFBDRO Cc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165304175 1312606241 /nfs/dbraw/zinc/60/62/41/1312606241.db2.gz NOQQLWXPTPTMQD-NSHDSACASA-N 1 0 344.337 2.952 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001165350305 1312613638 /nfs/dbraw/zinc/61/36/38/1312613638.db2.gz SOCSOKGAFOUOCQ-UONOGXRCSA-N 1 0 330.775 2.719 20 5 EFBDRO Cc1nc2c(n1-c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC[NH2+]CC2 ZINC001165351822 1312613983 /nfs/dbraw/zinc/61/39/83/1312613983.db2.gz KVAKIUZENCTHIM-UHFFFAOYSA-N 1 0 337.383 2.634 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165432724 1312629783 /nfs/dbraw/zinc/62/97/83/1312629783.db2.gz LOYXTPMFDXTQJA-CHWSQXEVSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165432732 1312629850 /nfs/dbraw/zinc/62/98/50/1312629850.db2.gz LOYXTPMFDXTQJA-STQMWFEESA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]2CF)CC1 ZINC001165432751 1312629920 /nfs/dbraw/zinc/62/99/20/1312629920.db2.gz GUCSPZGFIKZNLV-IUODEOHRSA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001165560292 1312646964 /nfs/dbraw/zinc/64/69/64/1312646964.db2.gz UWWMGRJXTOXAFY-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000903416439 1312647399 /nfs/dbraw/zinc/64/73/99/1312647399.db2.gz SRQMNNXVOPTENT-CVEARBPZSA-N 1 0 329.404 2.811 20 5 EFBDRO CC(=O)N1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217830 1312650775 /nfs/dbraw/zinc/65/07/75/1312650775.db2.gz BOLNOBJRZPRVBX-UHFFFAOYSA-N 1 0 334.423 2.837 20 5 EFBDRO CC(C)(C)N(c1cc([N+](=O)[O-])ccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670778 1312660397 /nfs/dbraw/zinc/66/03/97/1312660397.db2.gz AECAFNYGFOLUGE-AWEZNQCLSA-N 1 0 334.420 2.506 20 5 EFBDRO F[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211408413 1314494691 /nfs/dbraw/zinc/49/46/91/1314494691.db2.gz SJQCRWUVLJTHPS-QWHCGFSZSA-N 1 0 335.342 2.858 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019949502 1314547414 /nfs/dbraw/zinc/54/74/14/1314547414.db2.gz QTQMZJYMLBSDRI-WKILWMFISA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(F)c1 ZINC001019951463 1314548056 /nfs/dbraw/zinc/54/80/56/1314548056.db2.gz UKOPCRVHDRSBQM-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001019967462 1314551392 /nfs/dbraw/zinc/55/13/92/1314551392.db2.gz MCAWAEVBULVBNA-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001019967497 1314551489 /nfs/dbraw/zinc/55/14/89/1314551489.db2.gz NUXSARJWWWKVCO-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001246085058 1314581266 /nfs/dbraw/zinc/58/12/66/1314581266.db2.gz VPFZCBXHOIEZNV-ZFWWWQNUSA-N 1 0 343.349 2.726 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020054285 1314589997 /nfs/dbraw/zinc/58/99/97/1314589997.db2.gz KAUDNLDCOYXLCJ-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001246280340 1314606037 /nfs/dbraw/zinc/60/60/37/1314606037.db2.gz NHPGAGGZFHAFRS-RDTXWAMCSA-N 1 0 325.412 2.830 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001246282209 1314606158 /nfs/dbraw/zinc/60/61/58/1314606158.db2.gz UPLQVLGFHCSHCE-KSSFIOAISA-N 1 0 325.412 2.830 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cncc([N+](=O)[O-])c3)n2)cc1 ZINC001213823914 1314609082 /nfs/dbraw/zinc/60/90/82/1314609082.db2.gz OTOJYRWTNFLMHG-UHFFFAOYSA-N 1 0 325.328 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331325 1314612011 /nfs/dbraw/zinc/61/20/11/1314612011.db2.gz OJOZYAJJCWULPL-XHDPSFHLSA-N 1 0 339.411 2.651 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)CC[C@H]2C[NH3+])c1F ZINC001246571460 1314649998 /nfs/dbraw/zinc/64/99/98/1314649998.db2.gz UJJCBCNNPRAFBG-AVGNSLFASA-N 1 0 339.411 2.733 20 5 EFBDRO NC[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584672 1314652584 /nfs/dbraw/zinc/65/25/84/1314652584.db2.gz YIEBAFKDIUDIES-AEFFLSMTSA-N 1 0 335.423 2.995 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246590828 1314652968 /nfs/dbraw/zinc/65/29/68/1314652968.db2.gz IEDZYUPKKZYEDT-RDTXWAMCSA-N 1 0 335.448 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246603725 1314656531 /nfs/dbraw/zinc/65/65/31/1314656531.db2.gz RKRINUJZRCJEGH-UYAOXDASSA-N 1 0 337.423 2.579 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001246627737 1314660053 /nfs/dbraw/zinc/66/00/53/1314660053.db2.gz WVURPFUPOVCROX-KSSFIOAISA-N 1 0 333.432 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246648754 1314663931 /nfs/dbraw/zinc/66/39/31/1314663931.db2.gz MZMAIKSATPKRDL-LJQANCHMSA-N 1 0 344.459 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1c1ccccc1F)C2 ZINC001246799937 1314685099 /nfs/dbraw/zinc/68/50/99/1314685099.db2.gz XDFUKSFIUHDVHN-LPHOPBHVSA-N 1 0 341.386 2.848 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1Cc1ccccc1)C2 ZINC001246816050 1314689139 /nfs/dbraw/zinc/68/91/39/1314689139.db2.gz CXIKXKKCFXATDF-PMACEKPBSA-N 1 0 337.423 2.579 20 5 EFBDRO CCC[C@H]1CN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246897025 1314706031 /nfs/dbraw/zinc/70/60/31/1314706031.db2.gz IQZBKVMJPADIIH-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO CCCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001246931740 1314710218 /nfs/dbraw/zinc/71/02/18/1314710218.db2.gz YONFXBHSUAFXLI-CHWSQXEVSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C(C)C)[C@H]2CC[NH2+]C2)c1F ZINC001246967768 1314717615 /nfs/dbraw/zinc/71/76/15/1314717615.db2.gz ONKFWSOUXWJXLB-OLZOCXBDSA-N 1 0 339.411 2.746 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C12CCC(CC1)C2 ZINC001020298374 1314718235 /nfs/dbraw/zinc/71/82/35/1314718235.db2.gz CDJVPBPFCIPGBL-HZZFRUEWSA-N 1 0 349.456 2.973 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020304294 1314722436 /nfs/dbraw/zinc/72/24/36/1314722436.db2.gz YCXWCCJHMHIYQT-QAQDUYKDSA-N 1 0 339.395 2.574 20 5 EFBDRO O[C@@H]1CCN[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247514145 1314795723 /nfs/dbraw/zinc/79/57/23/1314795723.db2.gz XCHSERUSYPUQLK-UKRRQHHQSA-N 1 0 347.378 2.618 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2c(F)ccc([N+](=O)[O-])c2F)CC1 ZINC001215287413 1314809650 /nfs/dbraw/zinc/80/96/50/1314809650.db2.gz NNJZEVXLDKUSTA-UHFFFAOYSA-N 1 0 349.341 2.763 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001215374591 1314826523 /nfs/dbraw/zinc/82/65/23/1314826523.db2.gz QQLRGCATKLGTTD-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[NH2+]Cc2ccccc2)n1 ZINC001248046216 1314883690 /nfs/dbraw/zinc/88/36/90/1314883690.db2.gz JKBISUYFJCJUHP-UHFFFAOYSA-N 1 0 343.318 2.511 20 5 EFBDRO CC(C)[NH+]1CCC(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001248104433 1314890661 /nfs/dbraw/zinc/89/06/61/1314890661.db2.gz VZQKOPHSHJLCOA-UHFFFAOYSA-N 1 0 335.339 2.767 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)nc12 ZINC001248320192 1314923559 /nfs/dbraw/zinc/92/35/59/1314923559.db2.gz KHLJGSUIFLWNJI-LBPRGKRZSA-N 1 0 331.379 2.985 20 5 EFBDRO C[C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001249070333 1315016690 /nfs/dbraw/zinc/01/66/90/1315016690.db2.gz HGJRLVGLZJXAEC-KXUCPTDWSA-N 1 0 335.339 2.671 20 5 EFBDRO Cc1ccc(C[NH3+])cc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001217099789 1315035359 /nfs/dbraw/zinc/03/53/59/1315035359.db2.gz ZKZOVNCITIXLPK-UHFFFAOYSA-N 1 0 329.291 2.613 20 5 EFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001249276900 1315043225 /nfs/dbraw/zinc/04/32/25/1315043225.db2.gz GMIJJYHAERPENL-OAHLLOKOSA-N 1 0 340.339 2.896 20 5 EFBDRO Cc1cc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc(C)n1 ZINC001249279311 1315043974 /nfs/dbraw/zinc/04/39/74/1315043974.db2.gz YFWPSOYHYJSDMN-OAHLLOKOSA-N 1 0 339.355 2.899 20 5 EFBDRO [NH3+][C@H](Cc1nnc(Cc2ccccc2F)o1)c1cccc([N+](=O)[O-])c1 ZINC001217732626 1315107613 /nfs/dbraw/zinc/10/76/13/1315107613.db2.gz FGJLHBOIPZLLOZ-OAHLLOKOSA-N 1 0 342.330 2.950 20 5 EFBDRO [NH3+][C@H](Cc1nnc(Cc2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217733678 1315107869 /nfs/dbraw/zinc/10/78/69/1315107869.db2.gz QQMZVBYXCCRXRH-OAHLLOKOSA-N 1 0 342.330 2.950 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](OCCC[C@@H]2CCC[NH2+]C2)C1 ZINC001217913263 1315120761 /nfs/dbraw/zinc/12/07/61/1315120761.db2.gz TVEXDJIQEINGDX-HOTGVXAUSA-N 1 0 333.432 2.970 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217960060 1315125895 /nfs/dbraw/zinc/12/58/95/1315125895.db2.gz SPDZPAFOVSDRFI-ONGXEEELSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc1Br ZINC001217971417 1315127115 /nfs/dbraw/zinc/12/71/15/1315127115.db2.gz HWHIOPIXVGYCJR-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCCC[NH2+]C1 ZINC001217971865 1315127484 /nfs/dbraw/zinc/12/74/84/1315127484.db2.gz YIZSWYGKILOJCL-JTQLQIEISA-N 1 0 328.752 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217976246 1315127973 /nfs/dbraw/zinc/12/79/73/1315127973.db2.gz KVAGVMARZBYUNH-BXKDBHETSA-N 1 0 333.157 2.826 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979318 1315128309 /nfs/dbraw/zinc/12/83/09/1315128309.db2.gz FVYNYXUAYMPLLN-PWSUYJOCSA-N 1 0 346.742 2.504 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217977612 1315128478 /nfs/dbraw/zinc/12/84/78/1315128478.db2.gz NWLDXWCLGZPHOE-GWCFXTLKSA-N 1 0 340.742 2.660 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217977625 1315128505 /nfs/dbraw/zinc/12/85/05/1315128505.db2.gz NWLDXWCLGZPHOE-MFKMUULPSA-N 1 0 340.742 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3C[NH2+]C[C@@H]3F)cc(C(F)(F)F)c2c1 ZINC001218000892 1315130905 /nfs/dbraw/zinc/13/09/05/1315130905.db2.gz MJLMPEGPVIFMDX-CMPLNLGQSA-N 1 0 345.252 2.851 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218088566 1315146947 /nfs/dbraw/zinc/14/69/47/1315146947.db2.gz BEOXEFVHZDPOTG-DOTOQJQBSA-N 1 0 334.372 2.601 20 5 EFBDRO CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218183220 1315160823 /nfs/dbraw/zinc/16/08/23/1315160823.db2.gz NJMGLPWTDNABOX-VIFPVBQESA-N 1 0 343.177 2.691 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Br ZINC001218316121 1315177774 /nfs/dbraw/zinc/17/77/74/1315177774.db2.gz LJANJZWWEDKQEM-LLVKDONJSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1C=CC[NH2+]C1 ZINC001218333311 1315180928 /nfs/dbraw/zinc/18/09/28/1315180928.db2.gz FUPMJKKRBMDVIQ-MRVPVSSYSA-N 1 0 333.569 2.918 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1C=CC[NH2+]C1 ZINC001218333312 1315180977 /nfs/dbraw/zinc/18/09/77/1315180977.db2.gz FUPMJKKRBMDVIQ-QMMMGPOBSA-N 1 0 333.569 2.918 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC23CC3)c1Br ZINC001218398056 1315189479 /nfs/dbraw/zinc/18/94/79/1315189479.db2.gz BNEKOSOCIRRICG-LLVKDONJSA-N 1 0 327.178 2.878 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218445152 1315196378 /nfs/dbraw/zinc/19/63/78/1315196378.db2.gz RFAZDVRIQGKFTE-UDZFHETQSA-N 1 0 335.360 2.930 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443685 1315196643 /nfs/dbraw/zinc/19/66/43/1315196643.db2.gz AXHNURYBICIUJB-ZDSQKVDBSA-N 1 0 327.178 2.795 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)cc(C(F)(F)F)c1 ZINC001218454189 1315198949 /nfs/dbraw/zinc/19/89/49/1315198949.db2.gz OVYCBXLBYMZCEC-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218463320 1315199701 /nfs/dbraw/zinc/19/97/01/1315199701.db2.gz BJKPBHCQANHASV-HLUHBDAQSA-N 1 0 332.278 2.870 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218461533 1315200093 /nfs/dbraw/zinc/20/00/93/1315200093.db2.gz SIFBPLBPSADWHA-BZHVJNSISA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218471386 1315201394 /nfs/dbraw/zinc/20/13/94/1315201394.db2.gz HABQXFLAPHISFK-JOAULVNJSA-N 1 0 345.168 2.873 20 5 EFBDRO Cc1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([N+](=O)[O-])cc1Br ZINC001218478928 1315202064 /nfs/dbraw/zinc/20/20/64/1315202064.db2.gz IKWADNIARPAVAQ-MKPLZMMCSA-N 1 0 327.178 2.937 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1Br ZINC001218477701 1315202230 /nfs/dbraw/zinc/20/22/30/1315202230.db2.gz DGJLQXAYIVGZJP-SECBINFHSA-N 1 0 344.209 2.970 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218484081 1315202892 /nfs/dbraw/zinc/20/28/92/1315202892.db2.gz MXISAKSTEZSFLW-HQJQHLMTSA-N 1 0 333.157 2.873 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c([N+](=O)[O-])c1 ZINC001218491630 1315204385 /nfs/dbraw/zinc/20/43/85/1315204385.db2.gz MWEVEAPJHQHNSY-DRCTWCGVSA-N 1 0 335.360 2.930 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489611 1315204760 /nfs/dbraw/zinc/20/47/60/1315204760.db2.gz PIWGCJHOJFHMCE-QGZVFWFLSA-N 1 0 342.351 2.913 20 5 EFBDRO C[C@]1(CC(=O)Nc2cc3nc4ccccc4nc3cc2N)CC[NH2+]C1 ZINC001218857019 1315251431 /nfs/dbraw/zinc/25/14/31/1315251431.db2.gz HZLNSIBAZDPLKJ-LJQANCHMSA-N 1 0 335.411 2.693 20 5 EFBDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218860033 1315252177 /nfs/dbraw/zinc/25/21/77/1315252177.db2.gz SMCWKLYWPSRSLO-BBATYDOGSA-N 1 0 337.427 2.938 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001219254104 1315294594 /nfs/dbraw/zinc/29/45/94/1315294594.db2.gz UHDBERLXZLHKGD-MLGOLLRUSA-N 1 0 335.407 2.717 20 5 EFBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4csc([N+](=O)[O-])c4)nc3c2)CC1 ZINC001250927961 1315296776 /nfs/dbraw/zinc/29/67/76/1315296776.db2.gz OGJDEXOPNBWVSK-UHFFFAOYSA-N 1 0 343.412 2.951 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001219666644 1315333924 /nfs/dbraw/zinc/33/39/24/1315333924.db2.gz LQNUOOGDZXIFLE-UONOGXRCSA-N 1 0 334.423 2.758 20 5 EFBDRO CCNc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251762142 1315376312 /nfs/dbraw/zinc/37/63/12/1315376312.db2.gz YCVXUONNVJFTQY-GJZGRUSLSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC[C@H](O)CO ZINC001252066452 1315409332 /nfs/dbraw/zinc/40/93/32/1315409332.db2.gz AJQZQMIZXMGBGK-INIZCTEOSA-N 1 0 325.412 2.528 20 5 EFBDRO C[C@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001252279464 1315427743 /nfs/dbraw/zinc/42/77/43/1315427743.db2.gz LQMYQCWXTMOOCG-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001318441378 1328592014 /nfs/dbraw/zinc/59/20/14/1328592014.db2.gz ZQWJTRSLIDNINX-RCBQFDQVSA-N 1 0 334.420 2.828 20 5 EFBDRO CC[NH+](CC)C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC001253982088 1315660457 /nfs/dbraw/zinc/66/04/57/1315660457.db2.gz WEQBNZSHGCUFPF-UHFFFAOYSA-N 1 0 349.431 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(c4cccnn4)CC3)CC2)cc1 ZINC001254466679 1315706798 /nfs/dbraw/zinc/70/67/98/1315706798.db2.gz LFOCNXJYGVQGJJ-UHFFFAOYSA-N 1 0 339.399 2.633 20 5 EFBDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474111 1315707431 /nfs/dbraw/zinc/70/74/31/1315707431.db2.gz MBEIQUHDJIWITD-HUUCEWRRSA-N 1 0 333.432 2.656 20 5 EFBDRO CCC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC001254475225 1315707507 /nfs/dbraw/zinc/70/75/07/1315707507.db2.gz CMNFKZNGVVITNV-UHFFFAOYSA-N 1 0 349.431 2.696 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@]1(C)O ZINC001254473838 1315707605 /nfs/dbraw/zinc/70/76/05/1315707605.db2.gz ILFVRVOZURFGOT-KBXCAEBGSA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC001254473547 1315707662 /nfs/dbraw/zinc/70/76/62/1315707662.db2.gz FDFKEGPPQADGGO-AWEZNQCLSA-N 1 0 331.416 2.865 20 5 EFBDRO CN1CCC[C@@](C)([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472888 1315707757 /nfs/dbraw/zinc/70/77/57/1315707757.db2.gz UAOIVOBMNOBCKD-GOSISDBHSA-N 1 0 332.448 2.638 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](N4CCCC4)C3)CC2)cc1 ZINC001254478963 1315707886 /nfs/dbraw/zinc/70/78/86/1315707886.db2.gz MKODPDUTWSBPKT-IBGZPJMESA-N 1 0 344.459 2.734 20 5 EFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001254476611 1315707920 /nfs/dbraw/zinc/70/79/20/1315707920.db2.gz TZLNTLXHYHYSRB-KDOFPFPSSA-N 1 0 333.432 2.656 20 5 EFBDRO CN1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480429 1315707939 /nfs/dbraw/zinc/70/79/39/1315707939.db2.gz GCEQTVANBFFWLM-HNAYVOBHSA-N 1 0 344.459 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC001254480702 1315707985 /nfs/dbraw/zinc/70/79/85/1315707985.db2.gz LWQJLMGWFSDAIG-GJZGRUSLSA-N 1 0 331.416 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(C3)CCOCC4)CC2)cc1 ZINC001254478524 1315708014 /nfs/dbraw/zinc/70/80/14/1315708014.db2.gz FZMZNWWDYQVEJN-UHFFFAOYSA-N 1 0 331.416 2.676 20 5 EFBDRO C[C@@H]1CO[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]12 ZINC001254479461 1315708102 /nfs/dbraw/zinc/70/81/02/1315708102.db2.gz ACISFTIALIRIBD-FSPWUOQZSA-N 1 0 331.416 2.530 20 5 EFBDRO CN1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480433 1315708244 /nfs/dbraw/zinc/70/82/44/1315708244.db2.gz GCEQTVANBFFWLM-KXBFYZLASA-N 1 0 344.459 2.590 20 5 EFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001254476613 1315708414 /nfs/dbraw/zinc/70/84/14/1315708414.db2.gz TZLNTLXHYHYSRB-RDTXWAMCSA-N 1 0 333.432 2.656 20 5 EFBDRO CN1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]21 ZINC001254480428 1315708438 /nfs/dbraw/zinc/70/84/38/1315708438.db2.gz GCEQTVANBFFWLM-DNVCBOLYSA-N 1 0 344.459 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCn4cccc4C3)CC2)cc1 ZINC001254478978 1315708478 /nfs/dbraw/zinc/70/84/78/1315708478.db2.gz NFQJOJYRRYCKTA-UHFFFAOYSA-N 1 0 326.400 2.881 20 5 EFBDRO CCN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC001254482580 1315708608 /nfs/dbraw/zinc/70/86/08/1315708608.db2.gz LDNZADZOMWRTKR-OAHLLOKOSA-N 1 0 332.448 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001254481171 1315708668 /nfs/dbraw/zinc/70/86/68/1315708668.db2.gz VZLJJBSSLYTJEZ-GOSISDBHSA-N 1 0 331.416 2.674 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001254481394 1315708719 /nfs/dbraw/zinc/70/87/19/1315708719.db2.gz VZLJJBSSLYTJEZ-SFHVURJKSA-N 1 0 331.416 2.674 20 5 EFBDRO COC(=O)CC[N@H+](C1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481450 1315708822 /nfs/dbraw/zinc/70/88/22/1315708822.db2.gz WFLILHXTQXXWNU-UHFFFAOYSA-N 1 0 347.415 2.591 20 5 EFBDRO CC(C)[N@H+](C)[C@@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481564 1315708954 /nfs/dbraw/zinc/70/89/54/1315708954.db2.gz XFNGPNNYYHIYSX-LJQANCHMSA-N 1 0 346.475 2.978 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC001254532251 1315720453 /nfs/dbraw/zinc/72/04/53/1315720453.db2.gz LZXTWRGBZVWRIN-LBPRGKRZSA-N 1 0 335.404 2.735 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001254539984 1315721113 /nfs/dbraw/zinc/72/11/13/1315721113.db2.gz NUOWDJDJLBESHI-LBPRGKRZSA-N 1 0 338.371 2.511 20 5 EFBDRO COc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254538768 1315721270 /nfs/dbraw/zinc/72/12/70/1315721270.db2.gz ATKHUAOZPACYMP-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO CCOC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254539116 1315721459 /nfs/dbraw/zinc/72/14/59/1315721459.db2.gz FVFHBVUIEUWIBR-ZDUSSCGKSA-N 1 0 343.383 2.887 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001254539072 1315721530 /nfs/dbraw/zinc/72/15/30/1315721530.db2.gz BBTPCZVZFCNCNR-VBHSOAQHSA-N 1 0 330.384 2.943 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001254545109 1315721662 /nfs/dbraw/zinc/72/16/62/1315721662.db2.gz AQWADLWALRRKSQ-AWEZNQCLSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001254540709 1315721715 /nfs/dbraw/zinc/72/17/15/1315721715.db2.gz UMOOJTONFHLYOT-UQHVZDHRSA-N 1 0 331.416 2.707 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254542128 1315721798 /nfs/dbraw/zinc/72/17/98/1315721798.db2.gz MEIVERHJVKOANY-SCLBCKFNSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001254544086 1315721824 /nfs/dbraw/zinc/72/18/24/1315721824.db2.gz UXLMHUFTEUQJDD-AWEZNQCLSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(c2cccnc2)CC1 ZINC001254545389 1315722090 /nfs/dbraw/zinc/72/20/90/1315722090.db2.gz NCXKCZOZUHGMJF-HNNXBMFYSA-N 1 0 340.427 2.871 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001254546048 1315722114 /nfs/dbraw/zinc/72/21/14/1315722114.db2.gz FFQSGBWZNVBVJX-CRAIPNDOSA-N 1 0 347.459 2.616 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548976 1315722188 /nfs/dbraw/zinc/72/21/88/1315722188.db2.gz OQZMMCLVTSUDDG-KSSFIOAISA-N 1 0 344.411 2.995 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001254547002 1315722251 /nfs/dbraw/zinc/72/22/51/1315722251.db2.gz BLWMWVVKJQVKMM-KBXCAEBGSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CC(=O)N1CCCC1 ZINC001254549455 1315722267 /nfs/dbraw/zinc/72/22/67/1315722267.db2.gz VZLOGWOQTHEJLF-CQSZACIVSA-N 1 0 333.432 2.907 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548816 1315722400 /nfs/dbraw/zinc/72/24/00/1315722400.db2.gz MKYLNNAFPJBRDA-CZUORRHYSA-N 1 0 330.384 2.858 20 5 EFBDRO CC(C)NC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549730 1315722785 /nfs/dbraw/zinc/72/27/85/1315722785.db2.gz YEHXVYVJIYZFJZ-CQSZACIVSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001254556393 1315723395 /nfs/dbraw/zinc/72/33/95/1315723395.db2.gz KUBBTZNQEFZRMW-AWEZNQCLSA-N 1 0 331.416 2.661 20 5 EFBDRO CCNC(=O)OC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563917 1315724137 /nfs/dbraw/zinc/72/41/37/1315724137.db2.gz GIUSYUMKHGVKKK-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO CCN1CCC2(CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC001254566272 1315724861 /nfs/dbraw/zinc/72/48/61/1315724861.db2.gz SFGCGHLPGYNBSF-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO Cc1cncnc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571291 1315725161 /nfs/dbraw/zinc/72/51/61/1315725161.db2.gz RUGFDMLFAMEMQP-GDBMZVCRSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001254568453 1315725238 /nfs/dbraw/zinc/72/52/38/1315725238.db2.gz GCHOWYOTLQPHJU-CZUORRHYSA-N 1 0 331.416 2.516 20 5 EFBDRO Cc1cncnc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571293 1315725269 /nfs/dbraw/zinc/72/52/69/1315725269.db2.gz RUGFDMLFAMEMQP-HOCLYGCPSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001254569986 1315725489 /nfs/dbraw/zinc/72/54/89/1315725489.db2.gz LMQMUQKNFLKNLQ-WFASDCNBSA-N 1 0 346.362 2.608 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccc3c(c1)OCO3)C2 ZINC001254569505 1315725666 /nfs/dbraw/zinc/72/56/66/1315725666.db2.gz YUZUKUZPITVMJW-OAHLLOKOSA-N 1 0 326.352 2.623 20 5 EFBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254574608 1315725927 /nfs/dbraw/zinc/72/59/27/1315725927.db2.gz JITVYTSDFZFZRU-INIZCTEOSA-N 1 0 325.368 2.680 20 5 EFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572567 1315725930 /nfs/dbraw/zinc/72/59/30/1315725930.db2.gz QBZYSYRUEAAMLJ-CQSZACIVSA-N 1 0 335.404 2.566 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC3COC3)c1)C2 ZINC001254573510 1315726209 /nfs/dbraw/zinc/72/62/09/1315726209.db2.gz BCKRQEWHVNYCGY-INIZCTEOSA-N 1 0 340.379 2.629 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577698 1315726440 /nfs/dbraw/zinc/72/64/40/1315726440.db2.gz GLLRJLHDNHKPOI-MSOLQXFVSA-N 1 0 326.396 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Br)no1)C2 ZINC001254581390 1315727071 /nfs/dbraw/zinc/72/70/71/1315727071.db2.gz JQJJZVAWVIFVEM-JTQLQIEISA-N 1 0 338.161 2.602 20 5 EFBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579397 1315726634 /nfs/dbraw/zinc/72/66/34/1315726634.db2.gz RLERZEISDXHAQI-MAZHCROVSA-N 1 0 332.400 2.774 20 5 EFBDRO COC(=O)c1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254582447 1315726854 /nfs/dbraw/zinc/72/68/54/1315726854.db2.gz UTJAIXCZVHUDMK-KRWDZBQOSA-N 1 0 340.379 2.681 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1CCC3(CC1)OCCO3)C2 ZINC001254582005 1315727020 /nfs/dbraw/zinc/72/70/20/1315727020.db2.gz RRGOATHTCJSHNO-QGZVFWFLSA-N 1 0 346.427 2.975 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccnc3)CC1)C2 ZINC001254582455 1315727291 /nfs/dbraw/zinc/72/72/91/1315727291.db2.gz UVWIYRWXABLCJC-KRWDZBQOSA-N 1 0 338.411 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC001254584384 1315727295 /nfs/dbraw/zinc/72/72/95/1315727295.db2.gz HMKFNACDTZRYSR-QGZVFWFLSA-N 1 0 340.379 2.897 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582748 1315727395 /nfs/dbraw/zinc/72/73/95/1315727395.db2.gz WVSSSDQGLNLZTF-DOMZBBRYSA-N 1 0 349.431 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCN(c3ccccn3)C1)C2 ZINC001254584373 1315727437 /nfs/dbraw/zinc/72/74/37/1315727437.db2.gz HLMGOKBDNHFAOP-DLBZAZTESA-N 1 0 338.411 2.716 20 5 EFBDRO N[C@H]([C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(F)(F)F ZINC001254587793 1315727872 /nfs/dbraw/zinc/72/78/72/1315727872.db2.gz BAQIGYIIKPTHNE-TUKIKUTGSA-N 1 0 343.349 2.664 20 5 EFBDRO COC(=O)c1ccccc1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588375 1315727882 /nfs/dbraw/zinc/72/78/82/1315727882.db2.gz DZLUVPOYZWSSDA-INIZCTEOSA-N 1 0 340.379 2.681 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585846 1315727964 /nfs/dbraw/zinc/72/79/64/1315727964.db2.gz GXHJPMKJJIIJDG-VNQPRFMTSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnn1CC(F)(F)F)C2 ZINC001254586964 1315728106 /nfs/dbraw/zinc/72/81/06/1315728106.db2.gz NPNLKKXISVDYOP-GFCCVEGCSA-N 1 0 340.305 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C2 ZINC001254589057 1315728453 /nfs/dbraw/zinc/72/84/53/1315728453.db2.gz MFNJBRTYGRLQCV-CXAGYDPISA-N 1 0 334.322 2.663 20 5 EFBDRO O=C(CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254589814 1315728458 /nfs/dbraw/zinc/72/84/58/1315728458.db2.gz RHBICQHXABEATD-MRXNPFEDSA-N 1 0 325.368 2.710 20 5 EFBDRO Cc1nc([C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)no1 ZINC001254593565 1315728490 /nfs/dbraw/zinc/72/84/90/1315728490.db2.gz NBBPMVVETTUBNH-BBRMVZONSA-N 1 0 328.372 2.633 20 5 EFBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@]1(O)C(F)(F)F ZINC001254593416 1315728677 /nfs/dbraw/zinc/72/86/77/1315728677.db2.gz MHNSYXZRUTZGBO-ONERCXAPSA-N 1 0 344.333 2.697 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594009 1315728854 /nfs/dbraw/zinc/72/88/54/1315728854.db2.gz PFARHXULVYTBTO-GOEBONIOSA-N 1 0 347.415 2.661 20 5 EFBDRO CC(C)c1nc(CC[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254593686 1315728871 /nfs/dbraw/zinc/72/88/71/1315728871.db2.gz NVFBINXAOUJNTA-HNNXBMFYSA-N 1 0 330.388 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3cc4c(cc3C1)OCO4)C2 ZINC001254593595 1315728919 /nfs/dbraw/zinc/72/89/19/1315728919.db2.gz NEGYUNLCIVTSRU-KRWDZBQOSA-N 1 0 338.363 2.849 20 5 EFBDRO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)no1 ZINC001254593568 1315729061 /nfs/dbraw/zinc/72/90/61/1315729061.db2.gz NBBPMVVETTUBNH-XJKSGUPXSA-N 1 0 328.372 2.633 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597425 1315729183 /nfs/dbraw/zinc/72/91/83/1315729183.db2.gz VNOSVYUNWGBNAD-OXQOHEQNSA-N 1 0 349.390 2.658 20 5 EFBDRO O=C([C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599956 1315729833 /nfs/dbraw/zinc/72/98/33/1315729833.db2.gz NEXUDBWLVWFHPI-ROUUACIJSA-N 1 0 343.427 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254604626 1315729847 /nfs/dbraw/zinc/72/98/47/1315729847.db2.gz WXIQEDDSQANYAQ-LJQANCHMSA-N 1 0 347.434 2.960 20 5 EFBDRO COC(=O)c1cccc(C[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254606395 1315730568 /nfs/dbraw/zinc/73/05/68/1315730568.db2.gz FAHRQGQVRWYJPS-SFHVURJKSA-N 1 0 340.379 2.981 20 5 EFBDRO Cn1ccc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605925 1315730581 /nfs/dbraw/zinc/73/05/81/1315730581.db2.gz CRTYBSHAPNIJQD-KRWDZBQOSA-N 1 0 326.400 2.675 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H]([NH+]3CCCCC3)[C@@H](F)C1)C2 ZINC001254610559 1315731327 /nfs/dbraw/zinc/73/13/27/1315731327.db2.gz NMNBDFFDQPXVLR-FHWLQOOXSA-N 1 0 347.434 2.960 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001039583175 1315879292 /nfs/dbraw/zinc/87/92/92/1315879292.db2.gz FTVBDLJVJIWHRR-XMTFNYHQSA-N 1 0 349.475 2.687 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318481754 1328613315 /nfs/dbraw/zinc/61/33/15/1328613315.db2.gz UYVYTKSPOMZGBE-ZBFHGGJFSA-N 1 0 346.431 2.772 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001256082180 1315902772 /nfs/dbraw/zinc/90/27/72/1315902772.db2.gz AHZFFNSDVMDRMY-UHFFFAOYSA-N 1 0 346.387 2.658 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cnoc3C)CC2)ccc1[N+](=O)[O-] ZINC001256084185 1315902833 /nfs/dbraw/zinc/90/28/33/1315902833.db2.gz VKOFZCGJHFMDOO-UHFFFAOYSA-N 1 0 346.387 2.658 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cccn3C)CC2)ccc1[N+](=O)[O-] ZINC001256082965 1315902939 /nfs/dbraw/zinc/90/29/39/1315902939.db2.gz LSJDWJSJSGKSRH-UHFFFAOYSA-N 1 0 344.415 2.701 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256081691 1315903324 /nfs/dbraw/zinc/90/33/24/1315903324.db2.gz CMZDQUXQVXXOKX-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CC(C)(C)O3)CC2)ccc1[N+](=O)[O-] ZINC001256087365 1315903800 /nfs/dbraw/zinc/90/38/00/1315903800.db2.gz YMUDATXQISCKPN-HNNXBMFYSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094939 1315904465 /nfs/dbraw/zinc/90/44/65/1315904465.db2.gz REUARFCFWBRLJK-HOTGVXAUSA-N 1 0 331.416 2.960 20 5 EFBDRO COc1cc(N2CCC([NH2+]C(C)(C)CC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256101073 1315905117 /nfs/dbraw/zinc/90/51/17/1315905117.db2.gz LIPAZTULDKSKAX-UHFFFAOYSA-N 1 0 349.431 2.920 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001256487552 1315948480 /nfs/dbraw/zinc/94/84/80/1315948480.db2.gz YTUDWQXIPRXFCV-KRWDZBQOSA-N 1 0 340.427 2.697 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001256487566 1315948804 /nfs/dbraw/zinc/94/88/04/1315948804.db2.gz YTUDWQXIPRXFCV-QGZVFWFLSA-N 1 0 340.427 2.697 20 5 EFBDRO CC(C)Cc1nnc(-c2cc([N+](=O)[O-])cc(N3CC[NH+](C)CC3)c2)o1 ZINC001256517914 1315951407 /nfs/dbraw/zinc/95/14/07/1315951407.db2.gz BATMRTYLUVHYAZ-UHFFFAOYSA-N 1 0 345.403 2.595 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000827555216 1316000397 /nfs/dbraw/zinc/00/03/97/1316000397.db2.gz PZBUVANSCHFCOY-LBPRGKRZSA-N 1 0 339.823 2.985 20 5 EFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)ccc1[N+](=O)[O-] ZINC001258018872 1316111806 /nfs/dbraw/zinc/11/18/06/1316111806.db2.gz HNFMGNQAMQOBKL-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO CCC(=O)N1CCC2(C1)CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC001040559667 1316322859 /nfs/dbraw/zinc/32/28/59/1316322859.db2.gz WNFWXNSVUICMSQ-UHFFFAOYSA-N 1 0 337.445 2.881 20 5 EFBDRO CC(C)=CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072419218 1316383045 /nfs/dbraw/zinc/38/30/45/1316383045.db2.gz UVBTYZNNWHSEQV-UHFFFAOYSA-N 1 0 329.400 2.595 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC001261647890 1316422681 /nfs/dbraw/zinc/42/26/81/1316422681.db2.gz LLADWCJQSIRIBU-ZDUSSCGKSA-N 1 0 335.404 2.915 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCSC1 ZINC001262061884 1316446955 /nfs/dbraw/zinc/44/69/55/1316446955.db2.gz LLGOYXJAQPKHAR-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO CN(C)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001262562628 1316472518 /nfs/dbraw/zinc/47/25/18/1316472518.db2.gz GXWOQDQTDQUIEF-ZWKOTPCHSA-N 1 0 347.390 2.660 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001263628800 1316552762 /nfs/dbraw/zinc/55/27/62/1316552762.db2.gz IVSZAPGZTKEPOS-SWLSCSKDSA-N 1 0 348.403 2.694 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001264012255 1316580217 /nfs/dbraw/zinc/58/02/17/1316580217.db2.gz JZVBRIKXFNBKJJ-NSHDSACASA-N 1 0 341.383 2.593 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001318764143 1328693425 /nfs/dbraw/zinc/69/34/25/1328693425.db2.gz QOIVBBSPZYTDBY-CYBMUJFWSA-N 1 0 334.420 2.583 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC001319404372 1328874040 /nfs/dbraw/zinc/87/40/40/1328874040.db2.gz NGSRCEXEUGVIKP-DGCLKSJQSA-N 1 0 335.433 2.821 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001319407086 1328874834 /nfs/dbraw/zinc/87/48/34/1328874834.db2.gz BEVVDOCBZBJWMY-OLZOCXBDSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001319763190 1328980176 /nfs/dbraw/zinc/98/01/76/1328980176.db2.gz LSYDIGJIANJRHH-KBRIMQKVSA-N 1 0 348.447 2.774 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC001320028260 1329060093 /nfs/dbraw/zinc/06/00/93/1329060093.db2.gz SCHCHHANAWHQMB-MRXNPFEDSA-N 1 0 342.399 2.818 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052101 1329065479 /nfs/dbraw/zinc/06/54/79/1329065479.db2.gz LGICAPIJUVUEHL-STQMWFEESA-N 1 0 331.372 2.852 20 5 EFBDRO C[C@H](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001320076604 1329071038 /nfs/dbraw/zinc/07/10/38/1329071038.db2.gz IZAIMKIJKSSYEO-CQSZACIVSA-N 1 0 346.431 2.885 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320454844 1329135209 /nfs/dbraw/zinc/13/52/09/1329135209.db2.gz QVMSKNZSZUUSOD-CHWSQXEVSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1OC(F)F ZINC001320625519 1329180000 /nfs/dbraw/zinc/18/00/00/1329180000.db2.gz HOPHCJAMSHQZCP-VIFPVBQESA-N 1 0 344.293 2.883 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCN2CCC(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC001320989202 1329328502 /nfs/dbraw/zinc/32/85/02/1329328502.db2.gz JJZFGLDHADUQGP-GOSISDBHSA-N 1 0 347.459 2.611 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321705385 1329403949 /nfs/dbraw/zinc/40/39/49/1329403949.db2.gz ZCMMTPNMFJUVGS-CHWSQXEVSA-N 1 0 325.796 2.851 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001318024295 1328477653 /nfs/dbraw/zinc/47/76/53/1328477653.db2.gz MLCGMFXLRMOROC-ACJLOTCBSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@H](CO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001322158459 1329433639 /nfs/dbraw/zinc/43/36/39/1329433639.db2.gz NRPVXZCPKLOTGL-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001322485708 1329462214 /nfs/dbraw/zinc/46/22/14/1329462214.db2.gz PZAUKFRAKQSNLZ-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001322535499 1329465748 /nfs/dbraw/zinc/46/57/48/1329465748.db2.gz RWPUAGASXBOVFR-HOCLYGCPSA-N 1 0 326.400 2.795 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001323291496 1329531843 /nfs/dbraw/zinc/53/18/43/1329531843.db2.gz DPFWZYNAXOLBRC-IVMMDQJWSA-N 1 0 340.445 2.550 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001323363824 1329538292 /nfs/dbraw/zinc/53/82/92/1329538292.db2.gz MWOLQSHXEUIQNL-MRXNPFEDSA-N 1 0 348.447 2.986 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001323363823 1329538328 /nfs/dbraw/zinc/53/83/28/1329538328.db2.gz MWOLQSHXEUIQNL-INIZCTEOSA-N 1 0 348.447 2.986 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001323541836 1329550500 /nfs/dbraw/zinc/55/05/00/1329550500.db2.gz DWRVFHKDXBSEOL-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001323705029 1329563140 /nfs/dbraw/zinc/56/31/40/1329563140.db2.gz KKJPAAZNVCQWBW-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001324037408 1329593105 /nfs/dbraw/zinc/59/31/05/1329593105.db2.gz PGHWVPRTARRYSE-ZDUSSCGKSA-N 1 0 348.447 2.877 20 5 EFBDRO CC1CC[NH+](CCc2nnc(COc3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001324122039 1329601589 /nfs/dbraw/zinc/60/15/89/1329601589.db2.gz MANSHJFJQBKYMA-UHFFFAOYSA-N 1 0 346.387 2.831 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001324270459 1329612401 /nfs/dbraw/zinc/61/24/01/1329612401.db2.gz ANQGLFZDVYJIST-GOEBONIOSA-N 1 0 326.400 2.968 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001324599412 1329643530 /nfs/dbraw/zinc/64/35/30/1329643530.db2.gz LGEXMNNWEMWRGX-OCCSQVGLSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001324599410 1329643613 /nfs/dbraw/zinc/64/36/13/1329643613.db2.gz LGEXMNNWEMWRGX-JSGCOSHPSA-N 1 0 325.796 2.851 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325253114 1329676777 /nfs/dbraw/zinc/67/67/77/1329676777.db2.gz LRMAEHSIFMOZFF-IRXDYDNUSA-N 1 0 348.447 2.652 20 5 EFBDRO CC(C)(C(=O)NCc1ccccc1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001325825675 1329714837 /nfs/dbraw/zinc/71/48/37/1329714837.db2.gz IVSBODASBQVADE-UHFFFAOYSA-N 1 0 327.384 2.648 20 5 EFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001325840167 1329715673 /nfs/dbraw/zinc/71/56/73/1329715673.db2.gz JQZFTVVACNXFTI-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326075195 1329732178 /nfs/dbraw/zinc/73/21/78/1329732178.db2.gz ITHDERUBJJZCBK-UHFFFAOYSA-N 1 0 348.403 2.601 20 5 EFBDRO CC(C)c1noc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001326560905 1330317642 /nfs/dbraw/zinc/31/76/42/1330317642.db2.gz JKBRPVHEDFKPMB-STQMWFEESA-N 1 0 348.407 2.614 20 5 EFBDRO C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC001326806580 1330366908 /nfs/dbraw/zinc/36/69/08/1330366908.db2.gz WCJLXGCUJAHNLG-YVEFUNNKSA-N 1 0 325.368 2.773 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001327542692 1330496897 /nfs/dbraw/zinc/49/68/97/1330496897.db2.gz IFIBOEPVBHRIIE-KBPBESRZSA-N 1 0 325.796 2.851 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[N@@H+]1C ZINC001327572444 1330498289 /nfs/dbraw/zinc/49/82/89/1330498289.db2.gz DOIJZBJXZUQJSZ-CYBMUJFWSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001327680398 1330507591 /nfs/dbraw/zinc/50/75/91/1330507591.db2.gz OMBKMHLTNKDBKA-MRXNPFEDSA-N 1 0 341.415 2.586 20 5 EFBDRO CC[N@@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC001327679447 1330507737 /nfs/dbraw/zinc/50/77/37/1330507737.db2.gz QGLZHMKEGFXQDD-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001327679035 1330507964 /nfs/dbraw/zinc/50/79/64/1330507964.db2.gz ARIAWBNCSZSSPU-WMLDXEAASA-N 1 0 334.416 2.597 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC001328490729 1330596917 /nfs/dbraw/zinc/59/69/17/1330596917.db2.gz CFCNOBIHXQFJIX-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328573899 1330603680 /nfs/dbraw/zinc/60/36/80/1330603680.db2.gz LYMRJIWQUVTBPK-LLVKDONJSA-N 1 0 325.796 2.644 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328693938 1330616671 /nfs/dbraw/zinc/61/66/71/1330616671.db2.gz UXWYPGPXKQBRBO-UHFFFAOYSA-N 1 0 332.404 2.901 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC001331276405 1330814515 /nfs/dbraw/zinc/81/45/15/1330814515.db2.gz ZQRDHQSKLIPOIU-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331384964 1330830779 /nfs/dbraw/zinc/83/07/79/1330830779.db2.gz QTCOATFBYSPNLF-NEPJUHHUSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001331922972 1330891487 /nfs/dbraw/zinc/89/14/87/1330891487.db2.gz SMDIWJRIEIVJKA-UHFFFAOYSA-N 1 0 343.786 2.944 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001333182830 1331090105 /nfs/dbraw/zinc/09/01/05/1331090105.db2.gz CAMYEKSESMGVAC-SJORKVTESA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001333503299 1331156062 /nfs/dbraw/zinc/15/60/62/1331156062.db2.gz XJFOHVHDLWNTFL-LLVKDONJSA-N 1 0 338.383 2.976 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC001333658214 1331189195 /nfs/dbraw/zinc/18/91/95/1331189195.db2.gz OCLFSPYRNCUPQS-HIFRSBDPSA-N 1 0 344.415 2.731 20 5 EFBDRO COc1c(O)ccc(CN(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC001333716214 1331200940 /nfs/dbraw/zinc/20/09/40/1331200940.db2.gz BLBDXAQHOLFJGH-UHFFFAOYSA-N 1 0 337.420 2.615 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001333808592 1331218009 /nfs/dbraw/zinc/21/80/09/1331218009.db2.gz NFTPWKCENQNAIS-ZDUSSCGKSA-N 1 0 342.823 2.763 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076251 1331245985 /nfs/dbraw/zinc/24/59/85/1331245985.db2.gz OCPCJMVDTIAROT-NSHDSACASA-N 1 0 338.383 2.928 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001334142963 1331255348 /nfs/dbraw/zinc/25/53/48/1331255348.db2.gz XBRMCOPMCCFXAG-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001334933922 1331332161 /nfs/dbraw/zinc/33/21/61/1331332161.db2.gz AFTUYNDUCZNALF-GFCCVEGCSA-N 1 0 346.431 2.835 20 5 EFBDRO C[C@@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001335308280 1331338678 /nfs/dbraw/zinc/33/86/78/1331338678.db2.gz LGHYRZFKYORJCI-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001335396752 1331342793 /nfs/dbraw/zinc/34/27/93/1331342793.db2.gz ICNTZRDBNKYRQP-XYPHTWIQSA-N 1 0 331.416 2.546 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001335530081 1331368511 /nfs/dbraw/zinc/36/85/11/1331368511.db2.gz LHNSDFGTCGNPGO-DYVFJYSZSA-N 1 0 332.404 2.502 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001335542828 1331370264 /nfs/dbraw/zinc/37/02/64/1331370264.db2.gz JFSJHDZDRDDPFL-UHFFFAOYSA-N 1 0 333.779 2.755 20 5 EFBDRO Nc1cc(NCc2cccc(C[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC001337774671 1331597772 /nfs/dbraw/zinc/59/77/72/1331597772.db2.gz OLMUCRHSFXMJRQ-UHFFFAOYSA-N 1 0 327.388 2.780 20 5 EFBDRO Cc1c(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001337867653 1331607048 /nfs/dbraw/zinc/60/70/48/1331607048.db2.gz VWXQTJIGSVPWOU-UHFFFAOYSA-N 1 0 340.383 2.697 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cccs3)c2)CC1 ZINC001338334371 1331693748 /nfs/dbraw/zinc/69/37/48/1331693748.db2.gz DKLSRASHXKWSDH-UHFFFAOYSA-N 1 0 346.412 2.660 20 5 EFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439424 1331867898 /nfs/dbraw/zinc/86/78/98/1331867898.db2.gz TXGIBLKULCFRRJ-LSDHHAIUSA-N 1 0 345.355 2.681 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339726935 1331943292 /nfs/dbraw/zinc/94/32/92/1331943292.db2.gz KZOZEQKAGQWXAG-KGLIPLIRSA-N 1 0 346.431 2.740 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340221493 1332156901 /nfs/dbraw/zinc/15/69/01/1332156901.db2.gz DZPZTNKFDHDSOJ-UHFFFAOYSA-N 1 0 331.397 2.874 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340248493 1332161194 /nfs/dbraw/zinc/16/11/94/1332161194.db2.gz ISRKTTIBAMTZFS-XKNSCDJCSA-N 1 0 329.400 2.569 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001340856707 1332213291 /nfs/dbraw/zinc/21/32/91/1332213291.db2.gz IUXPGKXZCMOQSP-CQSZACIVSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341108666 1332234263 /nfs/dbraw/zinc/23/42/63/1332234263.db2.gz NMDDDGVQMJRRET-SJCJKPOMSA-N 1 0 325.368 2.659 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341108670 1332234410 /nfs/dbraw/zinc/23/44/10/1332234410.db2.gz NMDDDGVQMJRRET-YVEFUNNKSA-N 1 0 325.368 2.659 20 5 EFBDRO C[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)Cc1ccccc1 ZINC001341140120 1332237293 /nfs/dbraw/zinc/23/72/93/1332237293.db2.gz MKRWEXUZYWLXBY-INIZCTEOSA-N 1 0 341.411 2.772 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC001341748352 1332281477 /nfs/dbraw/zinc/28/14/77/1332281477.db2.gz NGFFJONAPAGWJC-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC001342154402 1332310826 /nfs/dbraw/zinc/31/08/26/1332310826.db2.gz FJOKBBZAKAQXDO-BASLNEPJSA-N 1 0 331.416 2.674 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@]12CCC[NH2+]C2 ZINC001342239976 1332322617 /nfs/dbraw/zinc/32/26/17/1332322617.db2.gz WEYCERNZSSGHQX-GOSISDBHSA-N 1 0 346.431 2.532 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001342709319 1332335708 /nfs/dbraw/zinc/33/57/08/1332335708.db2.gz YHVCMJDTLPHXTP-CQSZACIVSA-N 1 0 336.436 2.857 20 5 EFBDRO [NH3+]C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC001343189399 1332341236 /nfs/dbraw/zinc/34/12/36/1332341236.db2.gz UMVCLFUSLBUWDW-KRWDZBQOSA-N 1 0 333.432 2.799 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001343544537 1332355738 /nfs/dbraw/zinc/35/57/38/1332355738.db2.gz PWVISOTWUKRDJR-GOEBONIOSA-N 1 0 334.420 2.575 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001343629099 1332364026 /nfs/dbraw/zinc/36/40/26/1332364026.db2.gz DLGPHHYNQFVFHA-ZDUSSCGKSA-N 1 0 334.420 2.740 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001344029627 1332398506 /nfs/dbraw/zinc/39/85/06/1332398506.db2.gz XRDKTHIZJQZWCS-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001344525116 1332461098 /nfs/dbraw/zinc/46/10/98/1332461098.db2.gz ZAJLWOYJNJQEAC-GJZGRUSLSA-N 1 0 349.431 2.661 20 5 EFBDRO C[NH2+][C@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC001344845822 1332487453 /nfs/dbraw/zinc/48/74/53/1332487453.db2.gz FIDVFTRECLXHEF-INIZCTEOSA-N 1 0 341.411 2.772 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccc3c(c2)CCC3)c1 ZINC001345607652 1332552648 /nfs/dbraw/zinc/55/26/48/1332552648.db2.gz ZJPMFENLBWFENF-IBGZPJMESA-N 1 0 342.395 2.786 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)c1 ZINC001347278230 1332731009 /nfs/dbraw/zinc/73/10/09/1332731009.db2.gz CXURBIKMXAZMQG-INIZCTEOSA-N 1 0 343.358 2.829 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001347856154 1332778570 /nfs/dbraw/zinc/77/85/70/1332778570.db2.gz BQGFPVQPTPQALI-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC001347869422 1332779732 /nfs/dbraw/zinc/77/97/32/1332779732.db2.gz UZQCZYZHIFUOJQ-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO CCN1CCO[C@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609732 1332853009 /nfs/dbraw/zinc/85/30/09/1332853009.db2.gz XPWKSBWIZGIPTR-AWEZNQCLSA-N 1 0 332.360 2.655 20 5 EFBDRO CCOc1ccc2c(c1)CN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC001349648869 1332979722 /nfs/dbraw/zinc/97/97/22/1332979722.db2.gz PMMYOENVDQEIIJ-UHFFFAOYSA-N 1 0 330.388 2.557 20 5 EFBDRO COc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001349874988 1333008103 /nfs/dbraw/zinc/00/81/03/1333008103.db2.gz PTLQUVYRNGRTPK-LLVKDONJSA-N 1 0 338.408 2.701 20 5 EFBDRO CC(C)(CO)[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001349979797 1333021402 /nfs/dbraw/zinc/02/14/02/1333021402.db2.gz LBIOULMUVKIHFO-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC001351558992 1333249864 /nfs/dbraw/zinc/24/98/64/1333249864.db2.gz RBABNUMBMFMTTE-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CC(C)OC(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847073914 1333311266 /nfs/dbraw/zinc/31/12/66/1333311266.db2.gz IEPRDXPAWQEWMO-JKSUJKDBSA-N 1 0 338.404 2.584 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000847253406 1333448120 /nfs/dbraw/zinc/44/81/20/1333448120.db2.gz DESIUWQQWXLIHP-UKRRQHHQSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847253613 1333448182 /nfs/dbraw/zinc/44/81/82/1333448182.db2.gz JLBHWGGGLKMGAL-ZIAGYGMSSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001354148771 1334136918 /nfs/dbraw/zinc/13/69/18/1334136918.db2.gz IKPMOIACOBZKKU-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002562898 1334402460 /nfs/dbraw/zinc/40/24/60/1334402460.db2.gz VPNHKHQSEVPXDA-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO COc1c(O)ccc(CNC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001355265190 1334726665 /nfs/dbraw/zinc/72/66/65/1334726665.db2.gz REVGACPECGRRTI-UHFFFAOYSA-N 1 0 349.431 2.806 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000848482826 1334740201 /nfs/dbraw/zinc/74/02/01/1334740201.db2.gz VVWZUIMMZHPXNQ-KRWDZBQOSA-N 1 0 328.372 2.528 20 5 EFBDRO C[C@]1(O)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487740 1334744347 /nfs/dbraw/zinc/74/43/47/1334744347.db2.gz VWPDOLIWIXIAKO-KRWDZBQOSA-N 1 0 330.388 2.653 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000848531604 1334778197 /nfs/dbraw/zinc/77/81/97/1334778197.db2.gz UBQVGDPSRGKTCR-YJBOKZPZSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848533722 1334780441 /nfs/dbraw/zinc/78/04/41/1334780441.db2.gz MVFJSEKHRPKTSN-OAHLLOKOSA-N 1 0 339.823 2.591 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000848537105 1334781993 /nfs/dbraw/zinc/78/19/93/1334781993.db2.gz ZRRCGRRGTDPNMP-DKSSEZFCSA-N 1 0 342.395 2.656 20 5 EFBDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000848578748 1334805809 /nfs/dbraw/zinc/80/58/09/1334805809.db2.gz JFYJGNQDLHDSMQ-UHFFFAOYSA-N 1 0 328.368 2.909 20 5 EFBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568482 1335054528 /nfs/dbraw/zinc/05/45/28/1335054528.db2.gz DPTWWIWEDRTECQ-HZPDHXFCSA-N 1 0 332.404 2.529 20 5 EFBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568479 1335054878 /nfs/dbraw/zinc/05/48/78/1335054878.db2.gz DPTWWIWEDRTECQ-HOTGVXAUSA-N 1 0 332.404 2.529 20 5 EFBDRO C[C@](O)(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001356610579 1335063509 /nfs/dbraw/zinc/06/35/09/1335063509.db2.gz SNTOGGRKHMPPNA-ROUUACIJSA-N 1 0 330.384 2.516 20 5 EFBDRO COc1cccc(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000849065695 1335066092 /nfs/dbraw/zinc/06/60/92/1335066092.db2.gz TWISDFMVELLJHY-UHFFFAOYSA-N 1 0 330.344 2.748 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCCCC[NH2+]1 ZINC001357261640 1335294812 /nfs/dbraw/zinc/29/48/12/1335294812.db2.gz KRTROWZGTRQVJY-GFCCVEGCSA-N 1 0 340.811 2.580 20 5 EFBDRO [NH3+]CCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001357483928 1335309622 /nfs/dbraw/zinc/30/96/22/1335309622.db2.gz BXLYTKUNCOHLGB-UHFFFAOYSA-N 1 0 339.395 2.901 20 5 EFBDRO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001358143878 1335363050 /nfs/dbraw/zinc/36/30/50/1335363050.db2.gz VBGCRYOXXIDKSL-GFCCVEGCSA-N 1 0 325.368 2.732 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162384275 1418727246 /nfs/dbraw/zinc/72/72/46/1418727246.db2.gz YHJQWZBBBQHUGS-LBPRGKRZSA-N 1 0 328.210 2.541 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020474690 713052623 /nfs/dbraw/zinc/05/26/23/713052623.db2.gz GDAVICUKRUYAPS-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c(C)[nH]1 ZINC001020638011 713307899 /nfs/dbraw/zinc/30/78/99/713307899.db2.gz AIJYEPVTCJDNDR-JOCQHMNTSA-N 1 0 348.428 2.652 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804811800 713478810 /nfs/dbraw/zinc/47/88/10/713478810.db2.gz DIFBAIZIUHQOJW-UHFFFAOYSA-N 1 0 342.355 2.824 20 5 EFBDRO CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021055961 713542116 /nfs/dbraw/zinc/54/21/16/713542116.db2.gz OHUSEGSYOUTGDW-JOCQHMNTSA-N 1 0 348.428 2.528 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)s1 ZINC001021123474 713586786 /nfs/dbraw/zinc/58/67/86/713586786.db2.gz IYGYQWDYOBSRIJ-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261581449 714270634 /nfs/dbraw/zinc/27/06/34/714270634.db2.gz GBBQARZCZYTTNJ-JMJZKYOTSA-N 1 0 326.194 2.531 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001021799798 714489393 /nfs/dbraw/zinc/48/93/93/714489393.db2.gz VWQJVCWKQQOEMQ-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsc1 ZINC001021812804 714508362 /nfs/dbraw/zinc/50/83/62/714508362.db2.gz ZFBLUBNIYYTMTQ-OKILXGFUSA-N 1 0 331.397 2.707 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000933250782 714571165 /nfs/dbraw/zinc/57/11/65/714571165.db2.gz ZSKRZAIJUCDNRI-MRXNPFEDSA-N 1 0 348.447 2.504 20 5 EFBDRO COc1c(O)ccc(CN(C)CCOc2ccccc2)c1[N+](=O)[O-] ZINC000891393865 714605365 /nfs/dbraw/zinc/60/53/65/714605365.db2.gz KNGSYLQDBIDSFQ-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1Cl ZINC001022011803 714647309 /nfs/dbraw/zinc/64/73/09/714647309.db2.gz QTCMSZQULIWIBB-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccoc1Cl ZINC001022011747 714647352 /nfs/dbraw/zinc/64/73/52/714647352.db2.gz OUVUVIPWNKSANM-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022041877 714687000 /nfs/dbraw/zinc/68/70/00/714687000.db2.gz WRTKAZCGLRQEPX-OKILXGFUSA-N 1 0 342.399 2.536 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1C=CC=CC=C1 ZINC001022146635 714824184 /nfs/dbraw/zinc/82/41/84/714824184.db2.gz GSCORLFFQGBKTO-CALCHBBNSA-N 1 0 339.395 2.630 20 5 EFBDRO C[NH+](C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1Br ZINC000308639159 714948287 /nfs/dbraw/zinc/94/82/87/714948287.db2.gz ZFMKVIUPUWMTEJ-UHFFFAOYSA-N 1 0 330.226 2.787 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C12CCC(CC1)C2 ZINC001022289493 714970990 /nfs/dbraw/zinc/97/09/90/714970990.db2.gz ZILIHCIBNZAZQA-XFROLERWSA-N 1 0 343.427 2.912 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933769949 715043532 /nfs/dbraw/zinc/04/35/32/715043532.db2.gz HYVSBJJBDNLIQP-BMGDILEWSA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000891836976 715051625 /nfs/dbraw/zinc/05/16/25/715051625.db2.gz BLLIJUJRQYLBSJ-ZDUSSCGKSA-N 1 0 344.415 2.591 20 5 EFBDRO Cc1c(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000891848433 715063248 /nfs/dbraw/zinc/06/32/48/715063248.db2.gz GHSYBXYQCXXBOH-GOSISDBHSA-N 1 0 346.431 2.578 20 5 EFBDRO CC(C)CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934048782 715181148 /nfs/dbraw/zinc/18/11/48/715181148.db2.gz WMRZHSCGZWCOQM-UHFFFAOYSA-N 1 0 349.435 2.514 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CCC1 ZINC001022501137 715189297 /nfs/dbraw/zinc/18/92/97/715189297.db2.gz MRZGQSNAVOHKFY-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121263939 715210374 /nfs/dbraw/zinc/21/03/74/715210374.db2.gz ROENDKRKBRNJLM-RHSMWYFYSA-N 1 0 343.431 2.627 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NCc1ccccc1OCC[NH+](C)C ZINC000892129079 715266854 /nfs/dbraw/zinc/26/68/54/715266854.db2.gz QVCBZBYDMVUHHQ-UHFFFAOYSA-N 1 0 346.387 2.551 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934236879 715274002 /nfs/dbraw/zinc/27/40/02/715274002.db2.gz SVUJEZGPACZHML-CHWSQXEVSA-N 1 0 328.372 2.538 20 5 EFBDRO COc1c(O)ccc(CN2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000892203254 715333540 /nfs/dbraw/zinc/33/35/40/715333540.db2.gz SNFDNFZWVASDJZ-UHFFFAOYSA-N 1 0 349.431 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000893401530 715334151 /nfs/dbraw/zinc/33/41/51/715334151.db2.gz LJPGTQLVKKZAPV-UHFFFAOYSA-N 1 0 330.388 2.715 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000984567217 724387026 /nfs/dbraw/zinc/38/70/26/724387026.db2.gz AZFJVCRENMRRDF-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO COc1ccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000934437918 715473961 /nfs/dbraw/zinc/47/39/61/715473961.db2.gz MMBHSRDOBIJJRP-SJLPKXTDSA-N 1 0 342.395 2.639 20 5 EFBDRO C[C@@H](O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235256917 715814393 /nfs/dbraw/zinc/81/43/93/715814393.db2.gz LZERUOFOSLYRRA-NXEZZACHSA-N 1 0 329.194 2.560 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)s1 ZINC001023156592 716177031 /nfs/dbraw/zinc/17/70/31/716177031.db2.gz IYGYQWDYOBSRIJ-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000893520555 716489102 /nfs/dbraw/zinc/48/91/02/716489102.db2.gz JHXGSDCTSDYMHG-AWEZNQCLSA-N 1 0 336.388 2.558 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCC2)ccc1Br ZINC000053045350 716778543 /nfs/dbraw/zinc/77/85/43/716778543.db2.gz MGWXHEHJJMPSRX-UHFFFAOYSA-N 1 0 329.194 2.752 20 5 EFBDRO C[C@@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235416833 717468250 /nfs/dbraw/zinc/46/82/50/717468250.db2.gz NLTLXGDJHXHMJN-CYBMUJFWSA-N 1 0 329.194 2.704 20 5 EFBDRO COc1c(O)ccc(CNCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892448629 717516512 /nfs/dbraw/zinc/51/65/12/717516512.db2.gz COYLBKOHKBDHMS-CYBMUJFWSA-N 1 0 337.420 2.663 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c1[N+](=O)[O-] ZINC000893577489 717639095 /nfs/dbraw/zinc/63/90/95/717639095.db2.gz ZYDQYUALTNZZDN-SECBINFHSA-N 1 0 337.401 2.967 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCCOc2ccccc2)c1[N+](=O)[O-] ZINC000892472219 717745653 /nfs/dbraw/zinc/74/56/53/717745653.db2.gz SVUDWBBEYKAYIN-UHFFFAOYSA-N 1 0 332.356 2.868 20 5 EFBDRO O=C(CCC1CC1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980863785 717841482 /nfs/dbraw/zinc/84/14/82/717841482.db2.gz JLNYNJVGERCAQS-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893589420 717887019 /nfs/dbraw/zinc/88/70/19/717887019.db2.gz HQEBNYPHIVGAHX-HNNXBMFYSA-N 1 0 342.399 2.932 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000106469370 718059314 /nfs/dbraw/zinc/05/93/14/718059314.db2.gz YFQOCDYZLFJXOH-AWEZNQCLSA-N 1 0 344.367 2.705 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892571004 718297207 /nfs/dbraw/zinc/29/72/07/718297207.db2.gz UGKSZBOCMZPDBN-CHWSQXEVSA-N 1 0 337.420 2.662 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892580052 718305647 /nfs/dbraw/zinc/30/56/47/718305647.db2.gz ZIKHFFUZSKONAC-IUODEOHRSA-N 1 0 338.404 2.994 20 5 EFBDRO CCOc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892674781 718468034 /nfs/dbraw/zinc/46/80/34/718468034.db2.gz YGWWEXPELBDMEK-UHFFFAOYSA-N 1 0 332.356 2.998 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)COc2ccccc2)c1[N+](=O)[O-] ZINC000892693279 718738336 /nfs/dbraw/zinc/73/83/36/718738336.db2.gz GLSJVGCATUPUSK-LBPRGKRZSA-N 1 0 332.356 2.866 20 5 EFBDRO CC(C)=CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981592772 718857161 /nfs/dbraw/zinc/85/71/61/718857161.db2.gz HRBAEWFOPZCJRP-UHFFFAOYSA-N 1 0 343.427 2.985 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)cnc1Cl ZINC001164617648 719035939 /nfs/dbraw/zinc/03/59/39/719035939.db2.gz ORQZHKTWHWZYIU-UHFFFAOYSA-N 1 0 346.765 2.624 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C2CC2)CC1 ZINC001029923439 724564202 /nfs/dbraw/zinc/56/42/02/724564202.db2.gz HDIMTERBXRVODG-UHFFFAOYSA-N 1 0 331.416 2.675 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164632205 719177746 /nfs/dbraw/zinc/17/77/46/719177746.db2.gz DIGYNTYYYFHPJE-UWVGGRQHSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164634163 719178507 /nfs/dbraw/zinc/17/85/07/719178507.db2.gz ILDFHUXHOQHSOH-VHSXEESVSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000892821216 719213858 /nfs/dbraw/zinc/21/38/58/719213858.db2.gz SFHMSMPFOAVWFB-DZGCQCFKSA-N 1 0 329.404 2.651 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164633923 719244033 /nfs/dbraw/zinc/24/40/33/719244033.db2.gz LMHYIQJBACWKCH-QWHCGFSZSA-N 1 0 327.388 2.581 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164638493 719256394 /nfs/dbraw/zinc/25/63/94/719256394.db2.gz ZZBJMTKPQZGBGA-NXEZZACHSA-N 1 0 335.795 2.720 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+](C[C@H]3CCOC3)C3CC3)c2)cc1 ZINC000103457803 719302454 /nfs/dbraw/zinc/30/24/54/719302454.db2.gz FAFQHGDEEYEYLY-CQSZACIVSA-N 1 0 342.399 2.917 20 5 EFBDRO CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000122465548 719307019 /nfs/dbraw/zinc/30/70/19/719307019.db2.gz SRDJMSGUHMHNQX-LBPRGKRZSA-N 1 0 344.820 2.729 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CCc2cccn2C)c1[N+](=O)[O-] ZINC000892954494 719333030 /nfs/dbraw/zinc/33/30/30/719333030.db2.gz ZZVHEKQZZDYTFO-LBPRGKRZSA-N 1 0 333.388 2.758 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897332046 724593037 /nfs/dbraw/zinc/59/30/37/724593037.db2.gz AHUXICYGKYWKPA-ZDUSSCGKSA-N 1 0 339.823 2.780 20 5 EFBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CCCC1 ZINC001025931034 719548153 /nfs/dbraw/zinc/54/81/53/719548153.db2.gz AYFOLBKYCPTIIP-QLPKVWCKSA-N 1 0 343.427 2.722 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(Cl)nc2)c1[N+](=O)[O-] ZINC000893103847 719658601 /nfs/dbraw/zinc/65/86/01/719658601.db2.gz OQCLBCAPDZKWNM-UHFFFAOYSA-N 1 0 337.763 2.690 20 5 EFBDRO CC(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000982210841 719665356 /nfs/dbraw/zinc/66/53/56/719665356.db2.gz NNJGQOXUJKHOJU-KDURUIRLSA-N 1 0 345.443 2.921 20 5 EFBDRO CC(C)C(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029937532 724623861 /nfs/dbraw/zinc/62/38/61/724623861.db2.gz QSWVBDFHFOQUJW-UHFFFAOYSA-N 1 0 333.432 2.921 20 5 EFBDRO CC(C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029937642 724624643 /nfs/dbraw/zinc/62/46/43/724624643.db2.gz VECJHRWKGZWPQO-UHFFFAOYSA-N 1 0 333.432 2.921 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000073015860 719851561 /nfs/dbraw/zinc/85/15/61/719851561.db2.gz RILQHCINUHLDAO-ZGRWHYIRSA-N 1 0 348.399 2.508 20 5 EFBDRO COc1c(O)ccc(CNCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000894060751 720257128 /nfs/dbraw/zinc/25/71/28/720257128.db2.gz XRNLNPDDMDYITC-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893264014 720342447 /nfs/dbraw/zinc/34/24/47/720342447.db2.gz ASYAPSQWLOISHW-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO CSc1ccc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000927708540 720806042 /nfs/dbraw/zinc/80/60/42/720806042.db2.gz VHLRYMSEJFEABY-UHFFFAOYSA-N 1 0 346.412 2.708 20 5 EFBDRO Cn1c2ccccc2c(NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1=O ZINC000894129412 720808724 /nfs/dbraw/zinc/80/87/24/720808724.db2.gz NVUWJXHXANRWMQ-UHFFFAOYSA-N 1 0 344.415 2.733 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894160119 720977880 /nfs/dbraw/zinc/97/78/80/720977880.db2.gz RMQYQOUUWODUPD-LBPRGKRZSA-N 1 0 325.796 2.596 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCc4ccccc4OC3)nc2c1 ZINC000338323220 721073287 /nfs/dbraw/zinc/07/32/87/721073287.db2.gz RWGSKAIJAOLERR-CYBMUJFWSA-N 1 0 338.367 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCc4ccccc4OC3)nc2c1 ZINC000338323224 721073484 /nfs/dbraw/zinc/07/34/84/721073484.db2.gz RWGSKAIJAOLERR-ZDUSSCGKSA-N 1 0 338.367 2.955 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000894256588 721763843 /nfs/dbraw/zinc/76/38/43/721763843.db2.gz HQZIRTARODUKHW-CQSZACIVSA-N 1 0 336.388 2.748 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsc1 ZINC000983096319 721806187 /nfs/dbraw/zinc/80/61/87/721806187.db2.gz GITJJHRKERMASE-CTYIDZIISA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C4CCCC4)CC3)c21 ZINC000611564879 721861494 /nfs/dbraw/zinc/86/14/94/721861494.db2.gz QCYQGLXEAGYWJC-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO CC1(C)CC[C@@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1=O ZINC000840519261 724803197 /nfs/dbraw/zinc/80/31/97/724803197.db2.gz PMMPQSVPAMGDQH-CQSZACIVSA-N 1 0 343.339 2.695 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001165036193 721885944 /nfs/dbraw/zinc/88/59/44/721885944.db2.gz RBICFWLFEOKPAH-JTQLQIEISA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001165037652 721889029 /nfs/dbraw/zinc/88/90/29/721889029.db2.gz ZMNJBWKMKKDTLC-SECBINFHSA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001165035826 721898248 /nfs/dbraw/zinc/89/82/48/721898248.db2.gz PAKXVSJSBAEVGR-ZDUSSCGKSA-N 1 0 345.378 2.721 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001165037094 721899325 /nfs/dbraw/zinc/89/93/25/721899325.db2.gz JTWYHBREFILSKY-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165040372 721931177 /nfs/dbraw/zinc/93/11/77/721931177.db2.gz BEFAZVNIEKUHBT-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165041424 721933048 /nfs/dbraw/zinc/93/30/48/721933048.db2.gz WBXJWUQODJPRML-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165047245 721968101 /nfs/dbraw/zinc/96/81/01/721968101.db2.gz JVWIZSMNFNDKHQ-ZDUSSCGKSA-N 1 0 349.391 2.743 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165053165 722005399 /nfs/dbraw/zinc/00/53/99/722005399.db2.gz KQOFHRTYDFVNNI-JXMROGBWSA-N 1 0 347.463 2.833 20 5 EFBDRO Cc1c(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000894395248 722695359 /nfs/dbraw/zinc/69/53/59/722695359.db2.gz BDZFTTWZTUYZAI-UHFFFAOYSA-N 1 0 346.431 2.719 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC000983546636 722708344 /nfs/dbraw/zinc/70/83/44/722708344.db2.gz DIXGBBJWAVYHDD-SAZUREKKSA-N 1 0 343.383 2.794 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000894412212 722719551 /nfs/dbraw/zinc/71/95/51/722719551.db2.gz ILFKRBVISLJIME-OCCSQVGLSA-N 1 0 338.404 2.825 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CC2(c3ccccn3)CCC2)c1[N+](=O)[O-] ZINC000894426418 722733547 /nfs/dbraw/zinc/73/35/47/722733547.db2.gz PCUVTWVMMSZZPJ-UHFFFAOYSA-N 1 0 343.383 2.916 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894560464 722779316 /nfs/dbraw/zinc/77/93/16/722779316.db2.gz LDONCEXFNYIJTM-LBPRGKRZSA-N 1 0 325.409 2.519 20 5 EFBDRO COc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)n1 ZINC000894554450 722781190 /nfs/dbraw/zinc/78/11/90/722781190.db2.gz DFZRHQMRCQWYBT-UHFFFAOYSA-N 1 0 337.763 2.950 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000894714126 722824100 /nfs/dbraw/zinc/82/41/00/722824100.db2.gz CQVFKPZIKWIQEQ-GFCCVEGCSA-N 1 0 335.187 2.983 20 5 EFBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000894955150 723034269 /nfs/dbraw/zinc/03/42/69/723034269.db2.gz HWXYNHKSLFYPSI-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(=O)c1ccc(N2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000894996822 723047691 /nfs/dbraw/zinc/04/76/91/723047691.db2.gz IDBVDEMBWUNDFJ-UHFFFAOYSA-N 1 0 340.383 2.909 20 5 EFBDRO C[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC[NH2+]C1 ZINC000841233125 723055448 /nfs/dbraw/zinc/05/54/48/723055448.db2.gz LQWDHAKRBRQUDG-AWEZNQCLSA-N 1 0 326.784 2.759 20 5 EFBDRO CCc1cccc(NC(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000895039397 723057460 /nfs/dbraw/zinc/05/74/60/723057460.db2.gz DPFXHUGZKXFIFI-UHFFFAOYSA-N 1 0 327.384 2.928 20 5 EFBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000895952597 723069512 /nfs/dbraw/zinc/06/95/12/723069512.db2.gz HLYPNLNATMLHAK-GFCCVEGCSA-N 1 0 325.328 2.880 20 5 EFBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000895957646 723071736 /nfs/dbraw/zinc/07/17/36/723071736.db2.gz KDCNSDWYRUMKPM-ZDUSSCGKSA-N 1 0 339.355 2.804 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000917840224 728794374 /nfs/dbraw/zinc/79/43/74/728794374.db2.gz QPQLMJHMHCTKKY-LBPRGKRZSA-N 1 0 331.372 2.945 20 5 EFBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000896221314 723199689 /nfs/dbraw/zinc/19/96/89/723199689.db2.gz DLRBWPFDIJOSKM-SECBINFHSA-N 1 0 331.357 2.941 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC=CC1 ZINC000984740757 723391747 /nfs/dbraw/zinc/39/17/47/723391747.db2.gz CWFXFLKAKVAXNN-KOMQPUFPSA-N 1 0 343.427 2.936 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000896649984 723422857 /nfs/dbraw/zinc/42/28/57/723422857.db2.gz APDNAWUINHUEQQ-LLVKDONJSA-N 1 0 335.433 2.766 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1 ZINC000262157932 723461191 /nfs/dbraw/zinc/46/11/91/723461191.db2.gz GOLDQVOOQDEFMX-SFHVURJKSA-N 1 0 345.374 2.759 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000727170848 723847714 /nfs/dbraw/zinc/84/77/14/723847714.db2.gz ZZLNPEOSZZVOOU-ZDUSSCGKSA-N 1 0 348.428 3.000 20 5 EFBDRO C[C@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248379 723936938 /nfs/dbraw/zinc/93/69/38/723936938.db2.gz KSXIYKDLWUVFRY-JOYOIKCWSA-N 1 0 347.246 2.948 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001029560106 723939192 /nfs/dbraw/zinc/93/91/92/723939192.db2.gz MXTSKZWQPZTZCU-IYBDPMFKSA-N 1 0 331.416 2.816 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH2+]C4(CCCCC4)C3)cc2N1 ZINC000895253284 723946254 /nfs/dbraw/zinc/94/62/54/723946254.db2.gz SGVDWNBGUGVHFG-UHFFFAOYSA-N 1 0 344.415 2.592 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000897016581 723946280 /nfs/dbraw/zinc/94/62/80/723946280.db2.gz JEHKBCALEKJJDF-HUUCEWRRSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895277619 723976115 /nfs/dbraw/zinc/97/61/15/723976115.db2.gz JVCVFPHUINSEKL-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO CC(C)=CC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985231668 724009707 /nfs/dbraw/zinc/00/97/07/724009707.db2.gz UCAQWHYINLUCRF-UHFFFAOYSA-N 1 0 331.416 2.984 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202314 724074978 /nfs/dbraw/zinc/07/49/78/724074978.db2.gz RSWLROIVCNZKEU-NSHDSACASA-N 1 0 335.187 2.797 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000895383837 724095842 /nfs/dbraw/zinc/09/58/42/724095842.db2.gz MLDIDOUPOKLWEG-ZDUSSCGKSA-N 1 0 348.330 2.541 20 5 EFBDRO COc1c(O)ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000895385273 724101772 /nfs/dbraw/zinc/10/17/72/724101772.db2.gz WMEUPANFKZQTMB-CQSZACIVSA-N 1 0 349.431 2.806 20 5 EFBDRO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C(C1CC1)C1CC1 ZINC000154727978 728877928 /nfs/dbraw/zinc/87/79/28/728877928.db2.gz DFBMOYFGGNENTO-UHFFFAOYSA-N 1 0 344.415 2.915 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897266981 724154913 /nfs/dbraw/zinc/15/49/13/724154913.db2.gz WUKKVJITKNGFPB-INIZCTEOSA-N 1 0 331.416 2.959 20 5 EFBDRO C[N@H+](CC1CCCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425291 724307316 /nfs/dbraw/zinc/30/73/16/724307316.db2.gz DSOOILFZGUVQIO-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780900 724317990 /nfs/dbraw/zinc/31/79/90/724317990.db2.gz ZGJPHJBEFSFPMO-LJWDBELGSA-N 1 0 330.306 2.816 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000895796531 724321790 /nfs/dbraw/zinc/32/17/90/724321790.db2.gz KZSKCEPBMIHWBX-HNNXBMFYSA-N 1 0 331.416 2.912 20 5 EFBDRO COC(=O)c1ccccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000897311354 724352211 /nfs/dbraw/zinc/35/22/11/724352211.db2.gz ZTDYNCLOJQUNEB-UHFFFAOYSA-N 1 0 328.368 2.756 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2nonc21 ZINC000310730647 724853382 /nfs/dbraw/zinc/85/33/82/724853382.db2.gz BYMXARABVXEMGX-CYBMUJFWSA-N 1 0 339.355 2.817 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154826339 728931676 /nfs/dbraw/zinc/93/16/76/728931676.db2.gz LOVBTMOFAYIUSX-DOMZBBRYSA-N 1 0 335.379 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000151957956 725882561 /nfs/dbraw/zinc/88/25/61/725882561.db2.gz VVDBTBCMRPVBEA-KRWDZBQOSA-N 1 0 343.431 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]3C[NH+]3CCCCC3)c2c1 ZINC000151967412 725885251 /nfs/dbraw/zinc/88/52/51/725885251.db2.gz FKLPMKZINHYGHC-QGZVFWFLSA-N 1 0 343.431 2.852 20 5 EFBDRO Cc1nn(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1[N+](=O)[O-] ZINC000152038260 725915311 /nfs/dbraw/zinc/91/53/11/725915311.db2.gz PNIGFJQJLFIWOL-YOEHRIQHSA-N 1 0 349.479 2.952 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000174734728 725964685 /nfs/dbraw/zinc/96/46/85/725964685.db2.gz QRISVPDDFOLYLT-IBGZPJMESA-N 1 0 341.411 2.759 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)C2CCOCC2)c([N+](=O)[O-])cc1O ZINC000897450820 726212929 /nfs/dbraw/zinc/21/29/29/726212929.db2.gz HREAHAYHPFJXJV-UHFFFAOYSA-N 1 0 338.404 2.851 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285737 726227038 /nfs/dbraw/zinc/22/70/38/726227038.db2.gz LJMMVAHAKIHMKW-HZSPNIEDSA-N 1 0 348.447 2.582 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285738 726227085 /nfs/dbraw/zinc/22/70/85/726227085.db2.gz LJMMVAHAKIHMKW-MELADBBJSA-N 1 0 348.447 2.582 20 5 EFBDRO COc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000729339187 726316336 /nfs/dbraw/zinc/31/63/36/726316336.db2.gz VDJWMLBVVUQVDR-HNNXBMFYSA-N 1 0 346.387 2.645 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897490870 726322764 /nfs/dbraw/zinc/32/27/64/726322764.db2.gz OZSIWMADACATAA-AWEZNQCLSA-N 1 0 346.431 2.753 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCCC1 ZINC000731662578 726913857 /nfs/dbraw/zinc/91/38/57/726913857.db2.gz BUFAQXLKEMFFFH-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CCn1c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678407 726916766 /nfs/dbraw/zinc/91/67/66/726916766.db2.gz LXWYTZDFPFZQGN-QGZVFWFLSA-N 1 0 340.383 2.788 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000888281373 727080922 /nfs/dbraw/zinc/08/09/22/727080922.db2.gz WEUVEDWPIYCUMK-VIFPVBQESA-N 1 0 328.800 2.876 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908123939 727095965 /nfs/dbraw/zinc/09/59/65/727095965.db2.gz HKNAMDSZXJMOQD-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000732567847 727158619 /nfs/dbraw/zinc/15/86/19/727158619.db2.gz KGADFBUYZKXDMF-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)C1 ZINC000908362238 727169767 /nfs/dbraw/zinc/16/97/67/727169767.db2.gz IBMKGBSEOHORSK-HNNXBMFYSA-N 1 0 341.770 2.555 20 5 EFBDRO COc1cc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000908574510 727219399 /nfs/dbraw/zinc/21/93/99/727219399.db2.gz ZJPQDEURCOTJHE-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732805589 727238833 /nfs/dbraw/zinc/23/88/33/727238833.db2.gz OKBVKZDTRXYZOL-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000909913466 727392971 /nfs/dbraw/zinc/39/29/71/727392971.db2.gz FMSBTLYBMSKECH-JTQLQIEISA-N 1 0 343.786 2.849 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269765 727425605 /nfs/dbraw/zinc/42/56/05/727425605.db2.gz HABXUCOKEWPKGH-CQSZACIVSA-N 1 0 347.415 2.500 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000910280209 727426659 /nfs/dbraw/zinc/42/66/59/727426659.db2.gz KGSAVCXGYCMRPC-CYBMUJFWSA-N 1 0 344.415 2.561 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910278965 727426713 /nfs/dbraw/zinc/42/67/13/727426713.db2.gz HSTOGKMVMQKVOZ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280213 727426734 /nfs/dbraw/zinc/42/67/34/727426734.db2.gz AHPZHJFVFXRYAA-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910292679 727430725 /nfs/dbraw/zinc/43/07/25/727430725.db2.gz JUYCTPSUKSBBCK-HNNXBMFYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910293289 727430937 /nfs/dbraw/zinc/43/09/37/727430937.db2.gz NJEWPZYQJAQNML-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000911474137 727543448 /nfs/dbraw/zinc/54/34/48/727543448.db2.gz VNZNRTKWWCCEMO-CQSZACIVSA-N 1 0 339.342 2.506 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676282 727580295 /nfs/dbraw/zinc/58/02/95/727580295.db2.gz FWFCGYMCMQZGDD-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000911819255 727603037 /nfs/dbraw/zinc/60/30/37/727603037.db2.gz OKIOVYFOZYMFBI-IKGGRYGDSA-N 1 0 331.416 2.722 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000733165254 727709264 /nfs/dbraw/zinc/70/92/64/727709264.db2.gz AFRPYFAJUQSJBC-SWLSCSKDSA-N 1 0 339.461 2.778 20 5 EFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C12CCC2 ZINC000912602122 727729329 /nfs/dbraw/zinc/72/93/29/727729329.db2.gz SRIAMHOIOMCQPF-STQMWFEESA-N 1 0 337.807 2.851 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C12CCC2 ZINC000912602121 727729400 /nfs/dbraw/zinc/72/94/00/727729400.db2.gz SRIAMHOIOMCQPF-QWHCGFSZSA-N 1 0 337.807 2.851 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000150812604 727732589 /nfs/dbraw/zinc/73/25/89/727732589.db2.gz MVFHVOWNJNWBHT-CYBMUJFWSA-N 1 0 335.379 2.600 20 5 EFBDRO O=C([C@H]1CCn2cncc2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653945 727732844 /nfs/dbraw/zinc/73/28/44/727732844.db2.gz XFBGFLIHLZDUDR-AWEZNQCLSA-N 1 0 340.383 2.723 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c2nonc21 ZINC000912730330 727738682 /nfs/dbraw/zinc/73/86/82/727738682.db2.gz BJSUTIUAPGXFKZ-CYBMUJFWSA-N 1 0 343.343 2.973 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000912812284 727747564 /nfs/dbraw/zinc/74/75/64/727747564.db2.gz VCXPMLUWTNENRB-WFASDCNBSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912815979 727749022 /nfs/dbraw/zinc/74/90/22/727749022.db2.gz SHWDCUHRJALPRU-PBHICJAKSA-N 1 0 349.431 2.552 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000912816012 727749027 /nfs/dbraw/zinc/74/90/27/727749027.db2.gz SQRJJJZVDUWVPD-RYUDHWBXSA-N 1 0 325.434 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000916966969 727751017 /nfs/dbraw/zinc/75/10/17/727751017.db2.gz IQRLBJMRXPPICU-JKSUJKDBSA-N 1 0 336.775 2.605 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000917037689 727756158 /nfs/dbraw/zinc/75/61/58/727756158.db2.gz HRNFYERQZLBAMP-UHFFFAOYSA-N 1 0 344.415 2.526 20 5 EFBDRO CC(=O)c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917064347 727762414 /nfs/dbraw/zinc/76/24/14/727762414.db2.gz PKZSBJTXZNFMBC-MRXNPFEDSA-N 1 0 347.415 2.853 20 5 EFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000917068398 727763127 /nfs/dbraw/zinc/76/31/27/727763127.db2.gz VSUGACQITOHBJA-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000917069199 727763853 /nfs/dbraw/zinc/76/38/53/727763853.db2.gz LZSFNFBYVOWZQX-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1c(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000917135137 727775302 /nfs/dbraw/zinc/77/53/02/727775302.db2.gz GGDHMBDDDXEAJP-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CNC(=O)CN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000917366422 727798092 /nfs/dbraw/zinc/79/80/92/727798092.db2.gz WVQWDENCPNRBTL-UHFFFAOYSA-N 1 0 327.384 2.651 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000917416759 727805304 /nfs/dbraw/zinc/80/53/04/727805304.db2.gz MPLQKBIFLAJXEA-OAHLLOKOSA-N 1 0 338.310 2.705 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000129613284 727956611 /nfs/dbraw/zinc/95/66/11/727956611.db2.gz GILGTGAIPCLWDY-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)co1 ZINC000991678833 728257962 /nfs/dbraw/zinc/25/79/62/728257962.db2.gz GEVZQCZSJCVEKN-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000172020368 728563073 /nfs/dbraw/zinc/56/30/73/728563073.db2.gz DWOVTUSYUTXFAL-GFCCVEGCSA-N 1 0 326.780 2.833 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173307951 728622085 /nfs/dbraw/zinc/62/20/85/728622085.db2.gz VPXDWNZCTFIJDM-SJCJKPOMSA-N 1 0 346.383 2.996 20 5 EFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1nccc1[N+](=O)[O-] ZINC000173549324 728629337 /nfs/dbraw/zinc/62/93/37/728629337.db2.gz MPXXYTDXNNAHAK-QGZVFWFLSA-N 1 0 343.431 2.593 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000920808246 729233038 /nfs/dbraw/zinc/23/30/38/729233038.db2.gz DRQRAPARCQMZIR-UMVBOHGHSA-N 1 0 346.431 2.654 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000920959422 729246860 /nfs/dbraw/zinc/24/68/60/729246860.db2.gz MMTJOGDPNNHCBJ-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921330257 729289492 /nfs/dbraw/zinc/28/94/92/729289492.db2.gz FXGLPMXIHFADSN-XNRPHZJLSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905778929 981150009 /nfs/dbraw/zinc/15/00/09/981150009.db2.gz ZNHDGSBMBSIARJ-CQSZACIVSA-N 1 0 349.431 2.617 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931602726 1126136167 /nfs/dbraw/zinc/13/61/67/1126136167.db2.gz HNYGSUBWLRZZGL-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575057968 1088220904 /nfs/dbraw/zinc/22/09/04/1088220904.db2.gz VKDMMSVXKRVJRG-MQIPJXDCSA-N 1 0 337.395 2.813 20 5 EFBDRO CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]([NH3+])c1ccccc1 ZINC001575092405 1088238035 /nfs/dbraw/zinc/23/80/35/1088238035.db2.gz KBBBBLVUKXNBHZ-QGZVFWFLSA-N 1 0 341.411 2.980 20 5 EFBDRO CC(C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC001575415468 1088454454 /nfs/dbraw/zinc/45/44/54/1088454454.db2.gz SXJXKRGMLZZJHH-UFBFGSQYSA-N 1 0 331.775 2.623 20 5 EFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001575740070 1088653372 /nfs/dbraw/zinc/65/33/72/1088653372.db2.gz OWOXWTGASLLPLH-NSHDSACASA-N 1 0 342.346 2.598 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001575820966 1088710584 /nfs/dbraw/zinc/71/05/84/1088710584.db2.gz JUJKTOXMOKGCJH-LLVKDONJSA-N 1 0 347.387 2.808 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001575820791 1088711568 /nfs/dbraw/zinc/71/15/68/1088711568.db2.gz BQGXFDFRAHTDIZ-VXGBXAGGSA-N 1 0 337.445 2.762 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC001575821187 1088713120 /nfs/dbraw/zinc/71/31/20/1088713120.db2.gz UIMOOYAGSJDKTM-UHFFFAOYSA-N 1 0 337.445 2.967 20 5 EFBDRO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001576022558 1088859603 /nfs/dbraw/zinc/85/96/03/1088859603.db2.gz MMBHMKPUJUOPFY-KKUMJFAQSA-N 1 0 348.447 2.763 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCc1cscc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576086010 1088919108 /nfs/dbraw/zinc/91/91/08/1088919108.db2.gz OLHDLGOGJHTIMS-CQSZACIVSA-N 1 0 339.804 2.800 20 5 EFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001576105939 1088933689 /nfs/dbraw/zinc/93/36/89/1088933689.db2.gz XUFMQJABYSYMDX-STQMWFEESA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H](C)[NH3+] ZINC001576105938 1088934644 /nfs/dbraw/zinc/93/46/44/1088934644.db2.gz XUFMQJABYSYMDX-QWHCGFSZSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001576105936 1088934765 /nfs/dbraw/zinc/93/47/65/1088934765.db2.gz XUFMQJABYSYMDX-CHWSQXEVSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576110046 1088938009 /nfs/dbraw/zinc/93/80/09/1088938009.db2.gz XFRPRONZGGPKTG-MFKMUULPSA-N 1 0 325.796 2.519 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576153702 1088963837 /nfs/dbraw/zinc/96/38/37/1088963837.db2.gz YHDFAAKMKJEHDI-VXGBXAGGSA-N 1 0 328.372 2.512 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001576371391 1089154654 /nfs/dbraw/zinc/15/46/54/1089154654.db2.gz KVECSDGDCLBOTR-FVQBIDKESA-N 1 0 331.416 2.674 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001576478665 1089284174 /nfs/dbraw/zinc/28/41/74/1089284174.db2.gz JDKYOKGLPUMEJI-NSHDSACASA-N 1 0 325.796 2.756 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001576480281 1089285956 /nfs/dbraw/zinc/28/59/56/1089285956.db2.gz JVDKJSMUVSWMGT-NSHDSACASA-N 1 0 329.759 2.505 20 5 EFBDRO C[C@H]1C[C@H](CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC001576589492 1089339454 /nfs/dbraw/zinc/33/94/54/1089339454.db2.gz QFKBBBLIDKULAR-LWGWVAHUSA-N 1 0 333.432 2.957 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001576596569 1089343547 /nfs/dbraw/zinc/34/35/47/1089343547.db2.gz YTWBAIYAVAIFNY-JHJVBQTASA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC001576649808 1089378133 /nfs/dbraw/zinc/37/81/33/1089378133.db2.gz IHEIJQIMJSCGAD-JFGNBEQYSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC001576649801 1089378804 /nfs/dbraw/zinc/37/88/04/1089378804.db2.gz IHEIJQIMJSCGAD-CKYFFXLPSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC001576698691 1089401017 /nfs/dbraw/zinc/40/10/17/1089401017.db2.gz PBYIZIMDNSUDCB-RISCZKNCSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001576744216 1089432802 /nfs/dbraw/zinc/43/28/02/1089432802.db2.gz HHFXEKRCEFIKAF-NOZJJQNGSA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576880899 1089504494 /nfs/dbraw/zinc/50/44/94/1089504494.db2.gz SAPLCIZYMUDRLP-LPEHRKFASA-N 1 0 345.321 2.825 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001577096684 1089652866 /nfs/dbraw/zinc/65/28/66/1089652866.db2.gz UTKHTAOJOSFSHC-WBVHZDCISA-N 1 0 333.432 2.764 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001577390397 1089904733 /nfs/dbraw/zinc/90/47/33/1089904733.db2.gz MFUOYCPELVAPQR-NSHDSACASA-N 1 0 325.384 2.645 20 5 EFBDRO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]([NH3+])CC ZINC001577447244 1089972861 /nfs/dbraw/zinc/97/28/61/1089972861.db2.gz FJNMYFODCDRQGS-AWEZNQCLSA-N 1 0 346.435 2.827 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC001577475536 1089993396 /nfs/dbraw/zinc/99/33/96/1089993396.db2.gz GXKDHZQFXVSJIP-NSHDSACASA-N 1 0 325.434 2.954 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC001577492335 1090006521 /nfs/dbraw/zinc/00/65/21/1090006521.db2.gz PYDJKMYRAPLSQZ-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC ZINC001577559656 1090052020 /nfs/dbraw/zinc/05/20/20/1090052020.db2.gz LKIYHHMJHVSKQK-UHFFFAOYSA-N 1 0 325.434 2.826 20 5 EFBDRO CCN(CC(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+] ZINC001577667936 1090117181 /nfs/dbraw/zinc/11/71/81/1090117181.db2.gz ILFHLOMMDFCXKM-UHFFFAOYSA-N 1 0 346.435 2.684 20 5 EFBDRO CC[C@@H](NC(=O)N(CC)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001578224216 1090313370 /nfs/dbraw/zinc/31/33/70/1090313370.db2.gz NWZKLDQYYIWNTO-MRXNPFEDSA-N 1 0 334.420 2.829 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001578275711 1090327794 /nfs/dbraw/zinc/32/77/94/1090327794.db2.gz WIWKZGBNZWBQOB-HNNXBMFYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001578675440 1090417971 /nfs/dbraw/zinc/41/79/71/1090417971.db2.gz NPFMMYNTBNWAEN-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO C[NH2+]CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC001578712717 1090424139 /nfs/dbraw/zinc/42/41/39/1090424139.db2.gz PDZCGLPURJWAAQ-UHFFFAOYSA-N 1 0 329.356 2.754 20 5 EFBDRO C[NH2+]Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC001578738387 1090430456 /nfs/dbraw/zinc/43/04/56/1090430456.db2.gz GGWZUQAEXAXJDL-UHFFFAOYSA-N 1 0 343.368 2.571 20 5 EFBDRO C[NH2+]Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001578741356 1090431952 /nfs/dbraw/zinc/43/19/52/1090431952.db2.gz KQGLPZLFQYXLJO-UHFFFAOYSA-N 1 0 328.372 2.944 20 5 EFBDRO COc1cc(C(=O)Oc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC001579142883 1090525477 /nfs/dbraw/zinc/52/54/77/1090525477.db2.gz LXAKMSPWLHDMCV-UHFFFAOYSA-N 1 0 342.351 2.777 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC001579239667 1090556738 /nfs/dbraw/zinc/55/67/38/1090556738.db2.gz YFFBYFQTRGFEFJ-HOTGVXAUSA-N 1 0 328.372 2.556 20 5 EFBDRO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001579406826 1090606410 /nfs/dbraw/zinc/60/64/10/1090606410.db2.gz UIIMXTVGSDBAKM-IAQYHMDHSA-N 1 0 331.347 2.654 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC001579411458 1090607969 /nfs/dbraw/zinc/60/79/69/1090607969.db2.gz TXNSYCFPXUIXQH-RGYTYGDFSA-N 1 0 340.383 2.580 20 5 EFBDRO Cc1c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539144 1090629421 /nfs/dbraw/zinc/62/94/21/1090629421.db2.gz BUAIEJRMJYENGS-SECBINFHSA-N 1 0 346.309 2.748 20 5 EFBDRO Cc1c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC001579539470 1090629526 /nfs/dbraw/zinc/62/95/26/1090629526.db2.gz HSWWHYIBVKYFAL-UWVGGRQHSA-N 1 0 346.309 2.504 20 5 EFBDRO Cc1c(NC(=O)[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579537675 1090629535 /nfs/dbraw/zinc/62/95/35/1090629535.db2.gz BQQPBGUXGKFMOS-ZDUSSCGKSA-N 1 0 331.294 2.860 20 5 EFBDRO Cc1cc(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC001579560428 1090633840 /nfs/dbraw/zinc/63/38/40/1090633840.db2.gz XHMBCHXCARSECY-HNNXBMFYSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC001579576909 1090636339 /nfs/dbraw/zinc/63/63/39/1090636339.db2.gz BTXXICJINJNKGV-UHFFFAOYSA-N 1 0 331.347 2.739 20 5 EFBDRO Cc1cc(F)cc(C(=O)Oc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC001579612741 1090644091 /nfs/dbraw/zinc/64/40/91/1090644091.db2.gz UHJDLDZRXYBWOV-UHFFFAOYSA-N 1 0 330.315 2.907 20 5 EFBDRO Cc1cc(N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])s1 ZINC001579622015 1090645485 /nfs/dbraw/zinc/64/54/85/1090645485.db2.gz DMSRHIYULOJRJM-OUCADQQQSA-N 1 0 325.434 2.687 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001579642545 1090649601 /nfs/dbraw/zinc/64/96/01/1090649601.db2.gz KGRWIBUTEMIVDS-UHFFFAOYSA-N 1 0 327.340 2.638 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[NH2+]CCC13CCC3)CC2 ZINC001579643883 1090649614 /nfs/dbraw/zinc/64/96/14/1090649614.db2.gz UPJKZTPLWYYMDF-AWEZNQCLSA-N 1 0 329.400 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)cc1Cl ZINC001579642558 1090649798 /nfs/dbraw/zinc/64/97/98/1090649798.db2.gz LCHLFXUIDHRQDJ-UHFFFAOYSA-N 1 0 325.796 2.948 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1Cl ZINC001579642856 1090649914 /nfs/dbraw/zinc/64/99/14/1090649914.db2.gz ZAUJBDHQYVAEBU-ZBEGNZNMSA-N 1 0 337.807 2.900 20 5 EFBDRO Cc1ccc(NC(=O)C2CC3(C2)C[C@H]([NH3+])CCS3)cc1[N+](=O)[O-] ZINC001579715686 1090669439 /nfs/dbraw/zinc/66/94/39/1090669439.db2.gz GLLWNIQOJVPJTK-BWBHSNQOSA-N 1 0 335.429 2.845 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734791 1090674072 /nfs/dbraw/zinc/67/40/72/1090674072.db2.gz MCQHQQWTSDYKKU-KDOFPFPSSA-N 1 0 331.416 2.803 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580206420 1090809362 /nfs/dbraw/zinc/80/93/62/1090809362.db2.gz GEOKIYGXOKNSPR-NSHDSACASA-N 1 0 331.759 2.778 20 5 EFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580249860 1090831839 /nfs/dbraw/zinc/83/18/39/1090831839.db2.gz DBKDUWCKSNGLEO-SJKOYZFVSA-N 1 0 329.356 2.685 20 5 EFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580249858 1090832385 /nfs/dbraw/zinc/83/23/85/1090832385.db2.gz DBKDUWCKSNGLEO-PXAZEXFGSA-N 1 0 329.356 2.685 20 5 EFBDRO [NH3+]Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC001580340280 1090868841 /nfs/dbraw/zinc/86/88/41/1090868841.db2.gz RQELQQVQNMWTNB-UHFFFAOYSA-N 1 0 337.339 2.696 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001580573145 1090954877 /nfs/dbraw/zinc/95/48/77/1090954877.db2.gz FMRQIWQCPZUCNU-JKSUJKDBSA-N 1 0 331.416 2.518 20 5 EFBDRO O=C(NC[C@H]1CC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001580658045 1090978922 /nfs/dbraw/zinc/97/89/22/1090978922.db2.gz HXKDHYCMOJUZBP-CYBMUJFWSA-N 1 0 342.355 2.871 20 5 EFBDRO O=C(NC[C@@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001580661954 1090979732 /nfs/dbraw/zinc/97/97/32/1090979732.db2.gz WOPAVGLSLCUOLG-ZDUSSCGKSA-N 1 0 349.456 2.969 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001580811578 1091016400 /nfs/dbraw/zinc/01/64/00/1091016400.db2.gz QWFMMBWKFQIPHX-HNNXBMFYSA-N 1 0 341.770 2.746 20 5 EFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C1CCC1)C1C[NH2+]C1 ZINC001580811009 1091016698 /nfs/dbraw/zinc/01/66/98/1091016698.db2.gz KADJNSAXYXNTIJ-UHFFFAOYSA-N 1 0 344.198 2.868 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cn(C[C@@H]3CC4(CO3)CC[NH2+]CC4)cn2)cc1 ZINC001580874981 1091030971 /nfs/dbraw/zinc/03/09/71/1091030971.db2.gz SFRDJLBIKHZORH-INIZCTEOSA-N 1 0 342.399 2.617 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@@H]4[NH2+]CC[C@@H]43)c2c1 ZINC001580874661 1091031038 /nfs/dbraw/zinc/03/10/38/1091031038.db2.gz HALBXDLBNIMKAL-STQMWFEESA-N 1 0 333.779 2.522 20 5 EFBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104401011 1092634041 /nfs/dbraw/zinc/63/40/41/1092634041.db2.gz MYIHHHQYXJUMJH-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104423973 1092989238 /nfs/dbraw/zinc/98/92/38/1092989238.db2.gz JDZQWAYTEIYXEX-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO Cc1ccc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001104425261 1093014190 /nfs/dbraw/zinc/01/41/90/1093014190.db2.gz XAYJZPJIOMBJEG-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625072 1093138025 /nfs/dbraw/zinc/13/80/25/1093138025.db2.gz LWCUCMPXOSKDSO-UHFFFAOYSA-N 1 0 335.404 2.866 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950975 1093190062 /nfs/dbraw/zinc/19/00/62/1093190062.db2.gz ZDZNQGBFIHRVGC-MNOVXSKESA-N 1 0 339.359 2.582 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950976 1093190619 /nfs/dbraw/zinc/19/06/19/1093190619.db2.gz ZDZNQGBFIHRVGC-QWRGUYRKSA-N 1 0 339.359 2.582 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1(C)C ZINC001590272351 1093354843 /nfs/dbraw/zinc/35/48/43/1093354843.db2.gz QVULXVRYCQPDGJ-NSHDSACASA-N 1 0 330.392 2.643 20 5 EFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591777137 1093857308 /nfs/dbraw/zinc/85/73/08/1093857308.db2.gz DDQKMEBRAFNVGT-BBRMVZONSA-N 1 0 328.376 2.539 20 5 EFBDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001591969477 1093937584 /nfs/dbraw/zinc/93/75/84/1093937584.db2.gz ARQHFLJZIRAERB-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001593483130 1094326544 /nfs/dbraw/zinc/32/65/44/1094326544.db2.gz VRYFJFRJMKTTET-FZMZJTMJSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1Br ZINC000690774475 1094571068 /nfs/dbraw/zinc/57/10/68/1094571068.db2.gz FISXMYUYBCECPK-YPMHNXCESA-N 1 0 341.205 2.968 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C[C@H]1F ZINC001218071412 1095532483 /nfs/dbraw/zinc/53/24/83/1095532483.db2.gz PJYDUJACJAAWPU-MWLCHTKSSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120659 1095640162 /nfs/dbraw/zinc/64/01/62/1095640162.db2.gz WDTAURVUFWPEHT-STQMWFEESA-N 1 0 327.178 2.878 20 5 EFBDRO C[NH2+]CCNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001167724710 1095687786 /nfs/dbraw/zinc/68/77/86/1095687786.db2.gz RVZZEYIGMIOGAO-UHFFFAOYSA-N 1 0 325.166 2.537 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000893684297 1095877034 /nfs/dbraw/zinc/87/70/34/1095877034.db2.gz AJADBTQMSGEJEA-ZFWWWQNUSA-N 1 0 338.404 2.992 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000893684294 1095877070 /nfs/dbraw/zinc/87/70/70/1095877070.db2.gz AJADBTQMSGEJEA-DZGCQCFKSA-N 1 0 338.404 2.992 20 5 EFBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893684689 1095894366 /nfs/dbraw/zinc/89/43/66/1095894366.db2.gz DLNIZUBBTRKFPT-UHFFFAOYSA-N 1 0 334.825 2.553 20 5 EFBDRO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218284555 1096052745 /nfs/dbraw/zinc/05/27/45/1096052745.db2.gz XOGOMCFNXCVTKE-SNVBAGLBSA-N 1 0 343.177 2.691 20 5 EFBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C2)C1 ZINC001603880084 1096654076 /nfs/dbraw/zinc/65/40/76/1096654076.db2.gz DQHFHPDLBUPIBT-SJKOYZFVSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603884207 1096656942 /nfs/dbraw/zinc/65/69/42/1096656942.db2.gz JKNKZMDGLPRXTH-GHMZBOCLSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603891562 1096662509 /nfs/dbraw/zinc/66/25/09/1096662509.db2.gz STQDPUBYFYCEGQ-RISCZKNCSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603937316 1096674590 /nfs/dbraw/zinc/67/45/90/1096674590.db2.gz RKUCNMDLCAPHKI-NSHDSACASA-N 1 0 330.392 2.643 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1Br ZINC001225503958 1097446566 /nfs/dbraw/zinc/44/65/66/1097446566.db2.gz IYCCKQDTVMXLKO-CYBMUJFWSA-N 1 0 327.178 2.830 20 5 EFBDRO O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001608914558 1098069736 /nfs/dbraw/zinc/06/97/36/1098069736.db2.gz XJTTYZNPDXUWMY-CQSZACIVSA-N 1 0 347.415 2.601 20 5 EFBDRO CC(C)([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001609085099 1098136784 /nfs/dbraw/zinc/13/67/84/1098136784.db2.gz XCBQANFZHCKSID-UHFFFAOYSA-N 1 0 338.371 2.800 20 5 EFBDRO CC(C)([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001609084906 1098136887 /nfs/dbraw/zinc/13/68/87/1098136887.db2.gz KDSFLHMXENRQRJ-UHFFFAOYSA-N 1 0 338.371 2.800 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001609167780 1098180844 /nfs/dbraw/zinc/18/08/44/1098180844.db2.gz AVONRLVIXCZSFK-GFCCVEGCSA-N 1 0 342.403 2.787 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cccnc2c2ncccc12 ZINC001269518027 1098209556 /nfs/dbraw/zinc/20/95/56/1098209556.db2.gz OBVJVYNPUDMTCR-IRXDYDNUSA-N 1 0 332.407 2.702 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001609413429 1098300615 /nfs/dbraw/zinc/30/06/15/1098300615.db2.gz XXVIZUVRPWANON-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])s1 ZINC001609420258 1098304232 /nfs/dbraw/zinc/30/42/32/1098304232.db2.gz AZVOORDZLXNJLF-SNVBAGLBSA-N 1 0 344.400 2.996 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1C2CCCC1CCC2 ZINC001609600088 1098394514 /nfs/dbraw/zinc/39/45/14/1098394514.db2.gz PPUPGZHIQCMBET-UHFFFAOYSA-N 1 0 328.376 2.682 20 5 EFBDRO COc1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001225772952 1098503548 /nfs/dbraw/zinc/50/35/48/1098503548.db2.gz SCISPWYRNPHWCK-OKILXGFUSA-N 1 0 336.388 2.626 20 5 EFBDRO CN(CCC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000838871880 1098716556 /nfs/dbraw/zinc/71/65/56/1098716556.db2.gz SCJQGUPIMDUBOY-UHFFFAOYSA-N 1 0 325.796 2.693 20 5 EFBDRO CN(C)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000749637570 1099156085 /nfs/dbraw/zinc/15/60/85/1099156085.db2.gz BKJDIWYFTAWNCJ-KRWDZBQOSA-N 1 0 335.448 2.872 20 5 EFBDRO [NH3+]CCc1cn(-c2nc(Cl)ccc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167985682 1099518049 /nfs/dbraw/zinc/51/80/49/1099518049.db2.gz KCXBEQOUNIEYDV-UHFFFAOYSA-N 1 0 332.747 2.794 20 5 EFBDRO CN1Cc2cc(N(C(N)=[NH2+])c3ccc(F)cc3)cc([N+](=O)[O-])c2N1 ZINC001168001068 1099913012 /nfs/dbraw/zinc/91/30/12/1099913012.db2.gz UISFCTWUPCWSRU-UHFFFAOYSA-N 1 0 330.323 2.538 20 5 EFBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525640 1100212858 /nfs/dbraw/zinc/21/28/58/1100212858.db2.gz JJOSISFCSKNNJA-KZULUSFZSA-N 1 0 348.447 2.726 20 5 EFBDRO C[NH+]1CC2(C1)CCCN(C(=O)c1cccc3nc4ccccc4nc31)C2 ZINC001271026780 1100390760 /nfs/dbraw/zinc/39/07/60/1100390760.db2.gz FFJFHJFJGGQGQM-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000843781646 1100508606 /nfs/dbraw/zinc/50/86/06/1100508606.db2.gz ZLFPREKWJGPRHM-UHFFFAOYSA-N 1 0 342.399 2.511 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000840210169 1100903530 /nfs/dbraw/zinc/90/35/30/1100903530.db2.gz QGYJFTHJLWWTFM-UHFFFAOYSA-N 1 0 345.359 2.734 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167071661 1101401690 /nfs/dbraw/zinc/40/16/90/1101401690.db2.gz NSDDULBDJFFTEK-UHFFFAOYSA-N 1 0 345.790 2.811 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c1C ZINC001167098520 1101649624 /nfs/dbraw/zinc/64/96/24/1101649624.db2.gz KREBIRUMSUKQJR-UHFFFAOYSA-N 1 0 338.371 2.574 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000070171366 1101767218 /nfs/dbraw/zinc/76/72/18/1101767218.db2.gz GFLSYYBBRINTFP-SNVBAGLBSA-N 1 0 328.210 2.923 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167206295 1102051157 /nfs/dbraw/zinc/05/11/57/1102051157.db2.gz UDJSARCJNIEVQX-DYVFJYSZSA-N 1 0 344.802 2.621 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167205089 1102051632 /nfs/dbraw/zinc/05/16/32/1102051632.db2.gz DFYCZBMPGOIESN-DYVFJYSZSA-N 1 0 344.802 2.621 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840880196 1102216021 /nfs/dbraw/zinc/21/60/21/1102216021.db2.gz JFVPKDVLFNWKHK-FZMZJTMJSA-N 1 0 333.363 2.743 20 5 EFBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC001167308437 1102477449 /nfs/dbraw/zinc/47/74/49/1102477449.db2.gz POXPZBHEQHGNNJ-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc(COc2cccc(N3CC[NH2+]CC3)c2)c(F)c1 ZINC000905614335 1103416606 /nfs/dbraw/zinc/41/66/06/1103416606.db2.gz QIIVTULATGWKLB-UHFFFAOYSA-N 1 0 331.347 2.723 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841233117 1103440952 /nfs/dbraw/zinc/44/09/52/1103440952.db2.gz LMFQCXDHBZPENX-OUAUKWLOSA-N 1 0 338.795 2.758 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000905642340 1103457815 /nfs/dbraw/zinc/45/78/15/1103457815.db2.gz AIWFSUQVPLZNIW-CVEARBPZSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000905680410 1103496113 /nfs/dbraw/zinc/49/61/13/1103496113.db2.gz GPSFCPKQMRGLAC-OAHLLOKOSA-N 1 0 333.417 2.570 20 5 EFBDRO CC(C)[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)nn1 ZINC000905797748 1103616623 /nfs/dbraw/zinc/61/66/23/1103616623.db2.gz JJSFCECUQWIIIT-UHFFFAOYSA-N 1 0 333.392 2.520 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227069 1104557800 /nfs/dbraw/zinc/55/78/00/1104557800.db2.gz LMIIIYHEGLXHBC-BDAKNGLRSA-N 1 0 336.136 2.608 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnn(CCF)c3)CC2)cc1 ZINC000897737257 1106085945 /nfs/dbraw/zinc/08/59/45/1106085945.db2.gz LIVDRMRFQPXWQN-UHFFFAOYSA-N 1 0 347.394 2.519 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969632 1106154862 /nfs/dbraw/zinc/15/48/62/1106154862.db2.gz LVKZRCGJIMXKOD-KBPBESRZSA-N 1 0 342.399 2.928 20 5 EFBDRO CC1(C)CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000898034886 1106206208 /nfs/dbraw/zinc/20/62/08/1106206208.db2.gz ADSSQHPNFLOKLT-UHFFFAOYSA-N 1 0 346.475 2.885 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000843797431 1106312221 /nfs/dbraw/zinc/31/22/21/1106312221.db2.gz VDXWVRUNXFXVIX-LBPRGKRZSA-N 1 0 325.384 2.748 20 5 EFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CNOC2)ccc1Oc1ccc(F)cc1 ZINC000904424701 1107920814 /nfs/dbraw/zinc/92/08/14/1107920814.db2.gz KNPPMFBPNZKSTI-CYBMUJFWSA-N 1 0 333.319 2.519 20 5 EFBDRO CN(c1ccccc1)c1ccc(CNCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904449862 1107948234 /nfs/dbraw/zinc/94/82/34/1107948234.db2.gz MDIZVWYZPLJNQE-UHFFFAOYSA-N 1 0 326.400 2.944 20 5 EFBDRO NOCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000904456795 1107951783 /nfs/dbraw/zinc/95/17/83/1107951783.db2.gz MJUSJEBYGJLGHO-UHFFFAOYSA-N 1 0 335.335 2.896 20 5 EFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000904476146 1107964898 /nfs/dbraw/zinc/96/48/98/1107964898.db2.gz RAEAYEBVCFLVJU-JTQLQIEISA-N 1 0 326.784 2.902 20 5 EFBDRO O=C(C1CC=CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990504546 1108135040 /nfs/dbraw/zinc/13/50/40/1108135040.db2.gz QQFUDJKUVWDBFT-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO Cc1cc(C)n(-c2ccc(C[NH2+]CC[N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000905059439 1108382747 /nfs/dbraw/zinc/38/27/47/1108382747.db2.gz HDABFNQLYIBTID-UHFFFAOYSA-N 1 0 342.321 2.874 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2cc(Br)ccc2[nH]c1=O ZINC001233987610 1108424859 /nfs/dbraw/zinc/42/48/59/1108424859.db2.gz ICQGJXCIMCGJCM-SNVBAGLBSA-O 1 0 340.241 2.764 20 5 EFBDRO COc1cc(OC)cc(Oc2cccc(C[NH2+]CC[N+](=O)[O-])c2)c1 ZINC000905258290 1108548304 /nfs/dbraw/zinc/54/83/04/1108548304.db2.gz ZKFHIWUFMMQROI-UHFFFAOYSA-N 1 0 332.356 2.862 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462149 1108954230 /nfs/dbraw/zinc/95/42/30/1108954230.db2.gz NDDWATAROZWYKS-OAHLLOKOSA-N 1 0 328.372 2.956 20 5 EFBDRO COc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000899324837 1109283467 /nfs/dbraw/zinc/28/34/67/1109283467.db2.gz QOWJJZCRVKRUKQ-AWEZNQCLSA-N 1 0 330.384 2.689 20 5 EFBDRO COC(=O)c1cc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)cc([N+](=O)[O-])c1 ZINC000899320239 1109287903 /nfs/dbraw/zinc/28/79/03/1109287903.db2.gz WHJFXBBLXROVKQ-INIZCTEOSA-N 1 0 326.352 2.864 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159502439 1109671782 /nfs/dbraw/zinc/67/17/82/1109671782.db2.gz LDSCRHLTEKHJFO-LLVKDONJSA-N 1 0 328.210 2.541 20 5 EFBDRO Cc1[nH]ccc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990857249 1109724829 /nfs/dbraw/zinc/72/48/29/1109724829.db2.gz GSZNHIYHRSMNEL-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001122587696 1111396878 /nfs/dbraw/zinc/39/68/78/1111396878.db2.gz MHENWYJUJMWJBQ-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001106818234 1111879812 /nfs/dbraw/zinc/87/98/12/1111879812.db2.gz ZTQOSILLOIDEJG-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000916836063 1111989613 /nfs/dbraw/zinc/98/96/13/1111989613.db2.gz INJSSILDHQZREU-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO C[N@H+](CC1CCCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154723451 1112122097 /nfs/dbraw/zinc/12/20/97/1112122097.db2.gz GASHOUBSZJVKAY-UHFFFAOYSA-N 1 0 332.404 2.916 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000444804671 1112128878 /nfs/dbraw/zinc/12/88/78/1112128878.db2.gz QBBHVPOPCFXKCG-AWEZNQCLSA-N 1 0 330.388 2.717 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052073637 214114739 /nfs/dbraw/zinc/11/47/39/214114739.db2.gz XFTSCWIFCMJAMI-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052642339 214137815 /nfs/dbraw/zinc/13/78/15/214137815.db2.gz FVLBURKDIGGEOO-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370503802 282139834 /nfs/dbraw/zinc/13/98/34/282139834.db2.gz YUMMGAOAQNATJA-HNNXBMFYSA-N 1 0 341.367 2.564 20 5 EFBDRO COc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055748526 214340454 /nfs/dbraw/zinc/34/04/54/214340454.db2.gz SYJSCJPMOSPWHZ-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346812363 282156798 /nfs/dbraw/zinc/15/67/98/282156798.db2.gz WMBSXFBFBVFNNB-CJNGLKHVSA-N 1 0 342.399 2.900 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000174246488 231158146 /nfs/dbraw/zinc/15/81/46/231158146.db2.gz NHWUUKXWEXXMPO-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000187581957 529423935 /nfs/dbraw/zinc/42/39/35/529423935.db2.gz JEUYLCAHNFKONK-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174537035 231235569 /nfs/dbraw/zinc/23/55/69/231235569.db2.gz SYVJCIPGAVHOCF-CYBMUJFWSA-N 1 0 335.379 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000174663777 231273409 /nfs/dbraw/zinc/27/34/09/231273409.db2.gz UDIDSUVXRSMUPK-UHFFFAOYSA-N 1 0 327.384 2.618 20 5 EFBDRO Cc1[nH+]ccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Cl ZINC000413336273 282187576 /nfs/dbraw/zinc/18/75/76/282187576.db2.gz QPGLVLQLOYQVQP-UHFFFAOYSA-N 1 0 333.779 2.673 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000342127504 282188642 /nfs/dbraw/zinc/18/86/42/282188642.db2.gz KTRQIWCHEBYCCU-ZIAGYGMSSA-N 1 0 333.432 2.861 20 5 EFBDRO CN(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000174987941 231360819 /nfs/dbraw/zinc/36/08/19/231360819.db2.gz AHUIWNMMTWNHOA-GFCCVEGCSA-N 1 0 337.763 2.874 20 5 EFBDRO CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180534831 529606986 /nfs/dbraw/zinc/60/69/86/529606986.db2.gz WFUQSTXFMPNMAD-KRWDZBQOSA-N 1 0 327.384 2.977 20 5 EFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)cc1 ZINC000181807505 529609257 /nfs/dbraw/zinc/60/92/57/529609257.db2.gz WIWPARORZCJQSW-INIZCTEOSA-N 1 0 331.372 2.506 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181418605 529689957 /nfs/dbraw/zinc/68/99/57/529689957.db2.gz HMXCQVHFMFEASK-JTQLQIEISA-N 1 0 345.346 2.656 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000172835621 529931195 /nfs/dbraw/zinc/93/11/95/529931195.db2.gz HLCJNXKBIBYPPP-SIFUEBAJSA-N 1 0 331.416 2.941 20 5 EFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000160115309 529982901 /nfs/dbraw/zinc/98/29/01/529982901.db2.gz FKZPGCOUBINAML-CYBMUJFWSA-N 1 0 328.210 2.526 20 5 EFBDRO COCC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000101588747 219143362 /nfs/dbraw/zinc/14/33/62/219143362.db2.gz XWQJKHVKANDCCM-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000101589064 219143552 /nfs/dbraw/zinc/14/35/52/219143552.db2.gz ZCDLTRPLQSBOKZ-HNNXBMFYSA-N 1 0 333.388 2.979 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000175022666 530049681 /nfs/dbraw/zinc/04/96/81/530049681.db2.gz LBGLJRCLIVHRBF-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178641989 232329159 /nfs/dbraw/zinc/32/91/59/232329159.db2.gz ICUSFZNLQAUOAJ-ZDUSSCGKSA-N 1 0 343.383 2.684 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000178687912 232379161 /nfs/dbraw/zinc/37/91/61/232379161.db2.gz KSFQQWYCVUKXDF-VHSXEESVSA-N 1 0 333.310 2.621 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000066126621 215015934 /nfs/dbraw/zinc/01/59/34/215015934.db2.gz UGWJVHNTELRPQU-LBPRGKRZSA-N 1 0 325.434 2.533 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000179057692 232714426 /nfs/dbraw/zinc/71/44/26/232714426.db2.gz AOWFMHFNWBRFEK-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000003135783 209968910 /nfs/dbraw/zinc/96/89/10/209968910.db2.gz PWFSCSIWVZZFET-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO COc1cc(C[NH2+]CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000067697362 215189772 /nfs/dbraw/zinc/18/97/72/215189772.db2.gz DGNOYSFVWAOUPG-UHFFFAOYSA-N 1 0 346.383 2.654 20 5 EFBDRO COc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000067904861 215246804 /nfs/dbraw/zinc/24/68/04/215246804.db2.gz WYBZZPCVCQSFIY-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000352030224 535090897 /nfs/dbraw/zinc/09/08/97/535090897.db2.gz ZZXJIGUMMVGBIV-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000103453142 219302280 /nfs/dbraw/zinc/30/22/80/219302280.db2.gz BQJWNTJGIGURCN-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933738 234034393 /nfs/dbraw/zinc/03/43/93/234034393.db2.gz CLISDRKYUYRPFM-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO Cc1cc(N[C@@H](C)CN2CCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181462146 234194761 /nfs/dbraw/zinc/19/47/61/234194761.db2.gz CXZTVDLGEBMERG-LBPRGKRZSA-N 1 0 328.372 2.874 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000181546222 234226245 /nfs/dbraw/zinc/22/62/45/234226245.db2.gz NGOKEKIZVPFUTK-KRWDZBQOSA-N 1 0 339.395 2.805 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000181828334 234340645 /nfs/dbraw/zinc/34/06/45/234340645.db2.gz MVFHOWPXNSRTJU-ZDUSSCGKSA-N 1 0 328.434 2.767 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000128056441 222911500 /nfs/dbraw/zinc/91/15/00/222911500.db2.gz KWDVGPCAEAUURM-CYBMUJFWSA-N 1 0 349.456 2.875 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000105448120 219496121 /nfs/dbraw/zinc/49/61/21/219496121.db2.gz UUNZASBWBSGZFI-UHFFFAOYSA-N 1 0 328.294 2.686 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000183438353 235076902 /nfs/dbraw/zinc/07/69/02/235076902.db2.gz QXXLUGXMKNAQGC-GFCCVEGCSA-N 1 0 345.403 2.625 20 5 EFBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183614229 235165661 /nfs/dbraw/zinc/16/56/61/235165661.db2.gz DRAOHVANCNTHQV-QWHCGFSZSA-N 1 0 347.419 2.764 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000184330675 235369186 /nfs/dbraw/zinc/36/91/86/235369186.db2.gz WAMSLNONFJOOTM-KRWDZBQOSA-N 1 0 342.399 2.518 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000352871578 283242252 /nfs/dbraw/zinc/24/22/52/283242252.db2.gz BQQJTUMGIOOADA-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 ZINC000349161113 283271128 /nfs/dbraw/zinc/27/11/28/283271128.db2.gz SJHBAUNSRPMYJB-CYBMUJFWSA-N 1 0 326.291 2.580 20 5 EFBDRO C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253184428 290590531 /nfs/dbraw/zinc/59/05/31/290590531.db2.gz HIKJELANNZQAPM-VHSXEESVSA-N 1 0 328.210 2.778 20 5 EFBDRO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000189451568 236912283 /nfs/dbraw/zinc/91/22/83/236912283.db2.gz WAXUWRHGJLJPQQ-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000072027702 215995711 /nfs/dbraw/zinc/99/57/11/215995711.db2.gz PZOBLWBFKNCFQP-GFCCVEGCSA-N 1 0 337.445 2.628 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000262049346 283494146 /nfs/dbraw/zinc/49/41/46/283494146.db2.gz CTVLRBDEFOHHTN-LBPRGKRZSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181855775 299301578 /nfs/dbraw/zinc/30/15/78/299301578.db2.gz WGYIRXJSUPSMOA-AWEZNQCLSA-N 1 0 329.404 2.742 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000449092920 296006995 /nfs/dbraw/zinc/00/69/95/296006995.db2.gz VWSHPBHIWABAGV-GOEBONIOSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000129306916 223042312 /nfs/dbraw/zinc/04/23/12/223042312.db2.gz ULOVJBSBFKRSCL-GFCCVEGCSA-N 1 0 329.198 2.554 20 5 EFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000129579131 223071526 /nfs/dbraw/zinc/07/15/26/223071526.db2.gz OCESUSAMIOPPAP-ZACCUICWSA-N 1 0 343.305 2.626 20 5 EFBDRO Cc1nn(C)c(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000129685086 223081168 /nfs/dbraw/zinc/08/11/68/223081168.db2.gz QJIVUYXEHPVGHN-UHFFFAOYSA-N 1 0 335.452 2.729 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000130099833 223121287 /nfs/dbraw/zinc/12/12/87/223121287.db2.gz LYFHBSLCOYICSM-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC[NH+](C)C)CC1 ZINC000072510387 216265699 /nfs/dbraw/zinc/26/56/99/216265699.db2.gz ANVYLDCWTSHWFU-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000131461540 223235047 /nfs/dbraw/zinc/23/50/47/223235047.db2.gz OQUBQJALHLWGDJ-KRWDZBQOSA-N 1 0 349.456 2.726 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000131493853 223239249 /nfs/dbraw/zinc/23/92/49/223239249.db2.gz VGAVTKGEILDDCA-INIZCTEOSA-N 1 0 330.384 2.687 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072823995 216311862 /nfs/dbraw/zinc/31/18/62/216311862.db2.gz NUZPJJBBRGVZCY-OAHLLOKOSA-N 1 0 348.447 2.587 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976958 216336161 /nfs/dbraw/zinc/33/61/61/216336161.db2.gz HUFBCWCGUZIVCJ-CYBMUJFWSA-N 1 0 346.387 2.893 20 5 EFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000157471027 238994591 /nfs/dbraw/zinc/99/45/91/238994591.db2.gz TVOOQLNJAOUPEJ-UKRRQHHQSA-N 1 0 331.416 2.505 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376486114 291283654 /nfs/dbraw/zinc/28/36/54/291283654.db2.gz GVEWLDUNSYLIMN-FZMZJTMJSA-N 1 0 337.807 2.947 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000132035584 223294149 /nfs/dbraw/zinc/29/41/49/223294149.db2.gz SFDONYVLSUOAPR-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173557693 239193549 /nfs/dbraw/zinc/19/35/49/239193549.db2.gz LIINTOPFQOKGBE-BBRMVZONSA-N 1 0 329.400 2.748 20 5 EFBDRO COc1ccc(OCCN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173514545 239194875 /nfs/dbraw/zinc/19/48/75/239194875.db2.gz IYAUHXRCWJOEMM-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191676697 239245426 /nfs/dbraw/zinc/24/54/26/239245426.db2.gz VGZMDXNJBUUSTB-SFHVURJKSA-N 1 0 327.384 2.903 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000192507606 239755529 /nfs/dbraw/zinc/75/55/29/239755529.db2.gz UOLKUQHTCREYCZ-ACJLOTCBSA-N 1 0 327.384 2.955 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192549540 240050448 /nfs/dbraw/zinc/05/04/48/240050448.db2.gz ZGIDSKUZATUQEU-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193300170 240098951 /nfs/dbraw/zinc/09/89/51/240098951.db2.gz UOTUNZATNUSQRL-CJNGLKHVSA-N 1 0 333.388 2.793 20 5 EFBDRO COc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000193176406 240089599 /nfs/dbraw/zinc/08/95/99/240089599.db2.gz AXSBLJOEIAVPJD-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000132615707 223347069 /nfs/dbraw/zinc/34/70/69/223347069.db2.gz BMZPPMVCHGFSBM-LBPRGKRZSA-N 1 0 345.321 2.780 20 5 EFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000194617586 240165855 /nfs/dbraw/zinc/16/58/55/240165855.db2.gz CIZCZHSNBUUQED-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Nc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000193364291 240133733 /nfs/dbraw/zinc/13/37/33/240133733.db2.gz BPHZGFSJGBJGRJ-UHFFFAOYSA-N 1 0 328.372 2.615 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193646605 240247226 /nfs/dbraw/zinc/24/72/26/240247226.db2.gz HKTQOTQBXTZGML-GXFFZTMASA-N 1 0 346.412 2.589 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193573740 240218059 /nfs/dbraw/zinc/21/80/59/240218059.db2.gz APHLWTKZRMCPSM-GXFFZTMASA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000195385152 240224259 /nfs/dbraw/zinc/22/42/59/240224259.db2.gz LXHCAXVGRMXSLE-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193827396 240323411 /nfs/dbraw/zinc/32/34/11/240323411.db2.gz SMKSKJIOBQXZOE-UHFFFAOYSA-N 1 0 348.403 2.953 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227695198 242130961 /nfs/dbraw/zinc/13/09/61/242130961.db2.gz KVCWCUXWNZVGKM-FRRDWIJNSA-N 1 0 335.404 2.908 20 5 EFBDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227600985 242132427 /nfs/dbraw/zinc/13/24/27/242132427.db2.gz FYDOQSPSHWBEPV-UHFFFAOYSA-N 1 0 329.784 2.863 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000230127008 242234906 /nfs/dbraw/zinc/23/49/06/242234906.db2.gz HOJASRVGCRIZEQ-SJORKVTESA-N 1 0 347.415 2.875 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000133223250 223398153 /nfs/dbraw/zinc/39/81/53/223398153.db2.gz NYJVWKJCOWHUNA-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236752087 242345955 /nfs/dbraw/zinc/34/59/55/242345955.db2.gz UKFTVZWCQYGHDZ-UHFFFAOYSA-N 1 0 343.811 2.651 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236793648 242359606 /nfs/dbraw/zinc/35/96/06/242359606.db2.gz HSVRQRPMMLXIIY-NSHDSACASA-N 1 0 325.434 2.709 20 5 EFBDRO CC(C)OCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236797383 242359634 /nfs/dbraw/zinc/35/96/34/242359634.db2.gz CQCSGYYBJUIRDY-UHFFFAOYSA-N 1 0 332.404 2.900 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236642232 242303775 /nfs/dbraw/zinc/30/37/75/242303775.db2.gz IJJWLSZSNJJESS-PWSUYJOCSA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236647450 242307139 /nfs/dbraw/zinc/30/71/39/242307139.db2.gz IJJWLSZSNJJESS-JQWIXIFHSA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236654433 242308723 /nfs/dbraw/zinc/30/87/23/242308723.db2.gz ZBTKGPRVDLAHKR-BMIGLBTASA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236704668 242327890 /nfs/dbraw/zinc/32/78/90/242327890.db2.gz HVURYWDHVUEFBC-SFHVURJKSA-N 1 0 348.447 2.688 20 5 EFBDRO CCC(O)(CC)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236857576 242383662 /nfs/dbraw/zinc/38/36/62/242383662.db2.gz OFENZBHTLFNEAY-UHFFFAOYSA-N 1 0 332.404 2.636 20 5 EFBDRO CN(C)C(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237149242 242500793 /nfs/dbraw/zinc/50/07/93/242500793.db2.gz DRLPWEXJVBZENY-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000411607326 242888989 /nfs/dbraw/zinc/88/89/89/242888989.db2.gz UBXZSPQKUJBGHJ-CYBMUJFWSA-N 1 0 335.404 2.549 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C(C)C ZINC000411879774 243012685 /nfs/dbraw/zinc/01/26/85/243012685.db2.gz HSSFUYDHHFUEOY-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411947743 243040183 /nfs/dbraw/zinc/04/01/83/243040183.db2.gz MQPAFPIHPORMPB-SJKOYZFVSA-N 1 0 338.404 2.775 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000411948604 243040219 /nfs/dbraw/zinc/04/02/19/243040219.db2.gz NQMSSOYTEBLULZ-APPDUMDISA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951233 243040596 /nfs/dbraw/zinc/04/05/96/243040596.db2.gz PUQCRDXSCXCEAM-APPDUMDISA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411964057 243048379 /nfs/dbraw/zinc/04/83/79/243048379.db2.gz CWVIFVLJMIHNDD-YVEFUNNKSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000411989550 243059464 /nfs/dbraw/zinc/05/94/64/243059464.db2.gz XLRJBIXRWJVXNS-SJORKVTESA-N 1 0 339.395 2.604 20 5 EFBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000412064112 243107829 /nfs/dbraw/zinc/10/78/29/243107829.db2.gz BTCSIAGKINJLLZ-DZGCQCFKSA-N 1 0 345.399 2.885 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000245538506 243127530 /nfs/dbraw/zinc/12/75/30/243127530.db2.gz ZEAOYNJBTRHQQN-HUUCEWRRSA-N 1 0 329.404 2.968 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412152457 243172725 /nfs/dbraw/zinc/17/27/25/243172725.db2.gz AOGHQBKKUZJEBS-BSWAZPDLSA-N 1 0 331.416 2.687 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246110986 243194133 /nfs/dbraw/zinc/19/41/33/243194133.db2.gz SEDKTOCUFMVBPQ-HUUCEWRRSA-N 1 0 333.432 2.764 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246365670 243237089 /nfs/dbraw/zinc/23/70/89/243237089.db2.gz ADOYLCFBNZVWFD-BBRMVZONSA-N 1 0 349.456 2.630 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412338157 243274668 /nfs/dbraw/zinc/27/46/68/243274668.db2.gz NJYYZIDBEYGQIE-XFKAJCMBSA-N 1 0 343.427 2.784 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339674633 284068154 /nfs/dbraw/zinc/06/81/54/284068154.db2.gz CVGVUKVKRBTWIH-OLZOCXBDSA-N 1 0 329.356 2.698 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163472 243510960 /nfs/dbraw/zinc/51/09/60/243510960.db2.gz FBPMQLGOEDSODE-SNVBAGLBSA-N 1 0 332.326 2.929 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000414190619 244039740 /nfs/dbraw/zinc/03/97/40/244039740.db2.gz RJVULBXVJPROSV-ZQDZILKHSA-N 1 0 334.420 2.822 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414298452 244078919 /nfs/dbraw/zinc/07/89/19/244078919.db2.gz QHXSCJHZAUMOQA-NUTKFTJISA-N 1 0 337.420 2.697 20 5 EFBDRO COC1([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414318083 244088547 /nfs/dbraw/zinc/08/85/47/244088547.db2.gz PVLFOHRDTAXSNL-OLZOCXBDSA-N 1 0 335.404 2.859 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000414479391 244187398 /nfs/dbraw/zinc/18/73/98/244187398.db2.gz HRAIBDYYWMWSJO-NSHDSACASA-N 1 0 331.397 2.549 20 5 EFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414502312 244199067 /nfs/dbraw/zinc/19/90/67/244199067.db2.gz UCGRSKSERBOFNX-CYBMUJFWSA-N 1 0 343.383 2.765 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414515756 244206746 /nfs/dbraw/zinc/20/67/46/244206746.db2.gz MUQMRRVVIIXAJP-JLHYYAGUSA-N 1 0 340.445 2.801 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414520121 244209530 /nfs/dbraw/zinc/20/95/30/244209530.db2.gz UYOWBYJBYDGRQJ-NFAWXSAZSA-N 1 0 344.415 2.898 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414526165 244211146 /nfs/dbraw/zinc/21/11/46/244211146.db2.gz KRBGUTSOUFRYNX-SJLPKXTDSA-N 1 0 346.431 2.880 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)o1 ZINC000414557381 244233606 /nfs/dbraw/zinc/23/36/06/244233606.db2.gz NNVQSSWVUKFEIH-CZUORRHYSA-N 1 0 346.383 2.732 20 5 EFBDRO Cc1c(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000414713015 244303818 /nfs/dbraw/zinc/30/38/18/244303818.db2.gz UUHHFOCBONPKBD-AWEZNQCLSA-N 1 0 332.404 2.757 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414849143 244370782 /nfs/dbraw/zinc/37/07/82/244370782.db2.gz QSSVCKDMTKDPEF-GFCCVEGCSA-N 1 0 331.372 2.705 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414849144 244370830 /nfs/dbraw/zinc/37/08/30/244370830.db2.gz QSSVCKDMTKDPEF-LBPRGKRZSA-N 1 0 331.372 2.705 20 5 EFBDRO CCC[NH2+]CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414873379 244380765 /nfs/dbraw/zinc/38/07/65/244380765.db2.gz QYNXFSWWQRCTLR-UHFFFAOYSA-N 1 0 333.388 2.953 20 5 EFBDRO Cc1sc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262400037 244957777 /nfs/dbraw/zinc/95/77/77/244957777.db2.gz QXQCZIOKMOMBKH-UHFFFAOYSA-N 1 0 333.413 2.956 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140032 245040001 /nfs/dbraw/zinc/04/00/01/245040001.db2.gz PEEPBUVZWCYPRT-MLGOLLRUSA-N 1 0 334.420 2.863 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418434769 245156066 /nfs/dbraw/zinc/15/60/66/245156066.db2.gz FPGAIFUXGXJVSW-HOTGVXAUSA-N 1 0 348.447 2.857 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 ZINC000418629345 245218470 /nfs/dbraw/zinc/21/84/70/245218470.db2.gz WFPAIOLABOAUPS-QGZVFWFLSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418674403 245241672 /nfs/dbraw/zinc/24/16/72/245241672.db2.gz PIGLJULHUNWXBP-ZDUSSCGKSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000418710158 245256700 /nfs/dbraw/zinc/25/67/00/245256700.db2.gz DUAOTVCYRMMBCB-STQMWFEESA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418735851 245266482 /nfs/dbraw/zinc/26/64/82/245266482.db2.gz WUNRIZHMDSTCSM-UKRRQHHQSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418796741 245294741 /nfs/dbraw/zinc/29/47/41/245294741.db2.gz UDEKSPWOOBJWAZ-VNQPRFMTSA-N 1 0 346.431 2.611 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418770867 245285114 /nfs/dbraw/zinc/28/51/14/245285114.db2.gz ONMRHTRXWXVGRI-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110349675 220031404 /nfs/dbraw/zinc/03/14/04/220031404.db2.gz XZAZVPFNIUCDRQ-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000110347656 220031525 /nfs/dbraw/zinc/03/15/25/220031525.db2.gz FTRJMXQRKWXSNM-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC000110347661 220031896 /nfs/dbraw/zinc/03/18/96/220031896.db2.gz FTRJMXQRKWXSNM-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000110439816 220036171 /nfs/dbraw/zinc/03/61/71/220036171.db2.gz PGJOKEQLHFISMA-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000078398492 217047942 /nfs/dbraw/zinc/04/79/42/217047942.db2.gz AJFZARQJXNALMG-GJZGRUSLSA-N 1 0 349.431 2.661 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000341254575 284341571 /nfs/dbraw/zinc/34/15/71/284341571.db2.gz AAYXAVNIBQPLCQ-AWEZNQCLSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110993086 220088943 /nfs/dbraw/zinc/08/89/43/220088943.db2.gz YMIHKLNLWUJCMQ-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCCC1 ZINC000111039380 220094738 /nfs/dbraw/zinc/09/47/38/220094738.db2.gz DLZCPLWIAPCHSG-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO CN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000263741394 245609501 /nfs/dbraw/zinc/60/95/01/245609501.db2.gz NRAQFBQTQPIJAH-LLVKDONJSA-N 1 0 331.397 2.644 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392623 245663278 /nfs/dbraw/zinc/66/32/78/245663278.db2.gz WEEFOROMDFBRKD-DOTOQJQBSA-N 1 0 345.374 2.669 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000111274380 220131703 /nfs/dbraw/zinc/13/17/03/220131703.db2.gz QAVBLSXZJNEGCZ-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421686058 246063624 /nfs/dbraw/zinc/06/36/24/246063624.db2.gz YJCFDFAIAFRFHW-UHFFFAOYSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710680 246074070 /nfs/dbraw/zinc/07/40/70/246074070.db2.gz LVBALALEBUWPBN-WBVHZDCISA-N 1 0 333.432 2.716 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1=O ZINC000421871947 246146025 /nfs/dbraw/zinc/14/60/25/246146025.db2.gz GJMDWWILUSFABE-KBPBESRZSA-N 1 0 349.431 2.903 20 5 EFBDRO C[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCC1 ZINC000264174238 246138540 /nfs/dbraw/zinc/13/85/40/246138540.db2.gz LGHSLVVFVJMZNY-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000264281615 246288127 /nfs/dbraw/zinc/28/81/27/246288127.db2.gz IMDQGOZJEGUQRV-MRXNPFEDSA-N 1 0 326.400 2.966 20 5 EFBDRO COc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000264326260 246355407 /nfs/dbraw/zinc/35/54/07/246355407.db2.gz ITTSPYCTAVWLCR-UHFFFAOYSA-N 1 0 347.337 2.720 20 5 EFBDRO COc1ccc(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950159 246521892 /nfs/dbraw/zinc/52/18/92/246521892.db2.gz XFIPHKZQIBIENC-CZUORRHYSA-N 1 0 329.400 2.652 20 5 EFBDRO Cc1cc(N2CCC[C@@H](n3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425270562 247023898 /nfs/dbraw/zinc/02/38/98/247023898.db2.gz AIIRCJJBXVPWMZ-CQSZACIVSA-N 1 0 338.371 2.884 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000425275682 247024365 /nfs/dbraw/zinc/02/43/65/247024365.db2.gz UEYLYMNXSBCSFS-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCOc1cc(N2CC[NH+](C(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000425276015 247026614 /nfs/dbraw/zinc/02/66/14/247026614.db2.gz GLBGRQVSGWQGPS-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000425417784 247077665 /nfs/dbraw/zinc/07/76/65/247077665.db2.gz IHOFAJUTZATDQW-RISCZKNCSA-N 1 0 343.221 2.950 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264957297 247085191 /nfs/dbraw/zinc/08/51/91/247085191.db2.gz YZWMXUYFUNNDIU-NWDGAFQWSA-N 1 0 325.434 2.532 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000264996298 247120597 /nfs/dbraw/zinc/12/05/97/247120597.db2.gz DCQHDOVDICPGSA-SJORKVTESA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H](CC1CCOCC1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959040 247217080 /nfs/dbraw/zinc/21/70/80/247217080.db2.gz IMABDGIUPYEOPP-AWEZNQCLSA-N 1 0 336.436 2.881 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000426002952 247225455 /nfs/dbraw/zinc/22/54/55/247225455.db2.gz QPKDKNVYLGMUBF-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2ccnc2C1 ZINC000426079738 247233481 /nfs/dbraw/zinc/23/34/81/247233481.db2.gz OKUBIADBKYEKME-SECBINFHSA-N 1 0 335.751 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)cs2)c1 ZINC000427127573 247319317 /nfs/dbraw/zinc/31/93/17/247319317.db2.gz GCKMMMXNOHVDOO-XJKSGUPXSA-N 1 0 344.440 2.902 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000265783030 247791628 /nfs/dbraw/zinc/79/16/28/247791628.db2.gz HHBDPXAGDBHMSI-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000433054350 248008453 /nfs/dbraw/zinc/00/84/53/248008453.db2.gz UTTLBUUMIZUCDN-OCCSQVGLSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433074021 248010794 /nfs/dbraw/zinc/01/07/94/248010794.db2.gz CFQUMCQJJLSYGF-QGZVFWFLSA-N 1 0 330.384 2.639 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265997551 248011028 /nfs/dbraw/zinc/01/10/28/248011028.db2.gz NHABJTGJKNAADT-ZDUSSCGKSA-N 1 0 343.383 2.899 20 5 EFBDRO O=C1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000433096839 248015441 /nfs/dbraw/zinc/01/54/41/248015441.db2.gz JJHORKQCRSFCHT-IMJJTQAJSA-N 1 0 331.416 2.564 20 5 EFBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000433194185 248026163 /nfs/dbraw/zinc/02/61/63/248026163.db2.gz MECKDXBWGWUJBM-ZDUSSCGKSA-N 1 0 329.356 2.613 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)c(Cl)c1 ZINC000433250407 248034281 /nfs/dbraw/zinc/03/42/81/248034281.db2.gz ZUWQCDCPQOSCME-UHFFFAOYSA-N 1 0 339.754 2.681 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000433566145 248072586 /nfs/dbraw/zinc/07/25/86/248072586.db2.gz YJHNFAVZKYAXNH-SUMWQHHRSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000266155301 248135420 /nfs/dbraw/zinc/13/54/20/248135420.db2.gz LSBOQGZWSIRUKW-OAHLLOKOSA-N 1 0 342.298 2.787 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266173529 248149257 /nfs/dbraw/zinc/14/92/57/248149257.db2.gz SBMPMQFXQVLDMV-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1cc(NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000266181283 248153997 /nfs/dbraw/zinc/15/39/97/248153997.db2.gz ASRWQRUSAXISTO-UHFFFAOYSA-N 1 0 335.404 2.660 20 5 EFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000433945387 248105591 /nfs/dbraw/zinc/10/55/91/248105591.db2.gz GEALOEWGEBFWPU-DLBZAZTESA-N 1 0 330.388 2.821 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000266280934 248220479 /nfs/dbraw/zinc/22/04/79/248220479.db2.gz GMTVTIGOHLHYIE-OUAUKWLOSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372766 248232659 /nfs/dbraw/zinc/23/26/59/248232659.db2.gz SKKOVKIOBRSZRQ-RYUDHWBXSA-N 1 0 332.429 2.887 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000266299774 248233668 /nfs/dbraw/zinc/23/36/68/248233668.db2.gz JMNXZDLTOFNWHY-FSNWXROXSA-N 1 0 331.416 2.798 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435385000 248233780 /nfs/dbraw/zinc/23/37/80/248233780.db2.gz PEKMCCDWSMMBIO-DAXOMENPSA-N 1 0 344.440 2.887 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387089 248233789 /nfs/dbraw/zinc/23/37/89/248233789.db2.gz WYOGZZCFFCARES-OAHLLOKOSA-N 1 0 332.429 2.902 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435389643 248235923 /nfs/dbraw/zinc/23/59/23/248235923.db2.gz NNNABXCKCHSTLM-TXEJJXNPSA-N 1 0 332.429 2.901 20 5 EFBDRO C[NH2+]C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435395201 248236394 /nfs/dbraw/zinc/23/63/94/248236394.db2.gz OVKXTQHBWLAYNZ-UHFFFAOYSA-N 1 0 332.429 2.902 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000266313535 248242981 /nfs/dbraw/zinc/24/29/81/248242981.db2.gz NYALHGILCFROFG-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO COc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000435541287 248248367 /nfs/dbraw/zinc/24/83/67/248248367.db2.gz HGRHZTIHJBZOBI-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266235703 248193577 /nfs/dbraw/zinc/19/35/77/248193577.db2.gz VMVFVVOCNYVSBT-HUUCEWRRSA-N 1 0 336.436 2.847 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000266452692 248308127 /nfs/dbraw/zinc/30/81/27/248308127.db2.gz ORGIXRPLYLZEIC-CJNGLKHVSA-N 1 0 340.383 2.656 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000266644054 248395418 /nfs/dbraw/zinc/39/54/18/248395418.db2.gz VOICUWZZKFBYLC-YOEHRIQHSA-N 1 0 336.388 2.755 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000348360683 284613693 /nfs/dbraw/zinc/61/36/93/284613693.db2.gz QTWSDCNCMANCQO-OAHLLOKOSA-N 1 0 335.379 2.824 20 5 EFBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435629155 249390776 /nfs/dbraw/zinc/39/07/76/249390776.db2.gz WTPZSXCDMZTGTH-CQSZACIVSA-N 1 0 345.403 2.609 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000089728819 217833684 /nfs/dbraw/zinc/83/36/84/217833684.db2.gz QTGBCRYFEMSVIJ-PVAVHDDUSA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439650016 249847325 /nfs/dbraw/zinc/84/73/25/249847325.db2.gz REXSYVFHTJSHKM-SRMUXQRQSA-N 1 0 347.415 2.715 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000091483085 218011978 /nfs/dbraw/zinc/01/19/78/218011978.db2.gz GKPIXLJMHSSZOE-VIFPVBQESA-N 1 0 329.198 2.506 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092069819 218115231 /nfs/dbraw/zinc/11/52/31/218115231.db2.gz KYYHAVVYMPWDRU-SZTZYQKNSA-N 1 0 327.388 2.612 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000092429305 218141429 /nfs/dbraw/zinc/14/14/29/218141429.db2.gz MHQGYWPXCLXAHE-GXTWGEPZSA-N 1 0 331.416 2.875 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000442510013 250085816 /nfs/dbraw/zinc/08/58/16/250085816.db2.gz GBTHYVLTPQLBJB-MRXNPFEDSA-N 1 0 349.456 2.678 20 5 EFBDRO COc1cccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000010018127 211141098 /nfs/dbraw/zinc/14/10/98/211141098.db2.gz XGIDQGQPUPJTLZ-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1cccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000010018126 211140772 /nfs/dbraw/zinc/14/07/72/211140772.db2.gz XGIDQGQPUPJTLZ-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000009917016 211132801 /nfs/dbraw/zinc/13/28/01/211132801.db2.gz ZXXSCNFYPUFUAH-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093005613 218184625 /nfs/dbraw/zinc/18/46/25/218184625.db2.gz YNQBJBRJAYTJCE-UHFFFAOYSA-N 1 0 336.413 2.764 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000443448601 250195614 /nfs/dbraw/zinc/19/56/14/250195614.db2.gz UNGUICHQOWRELL-CYBMUJFWSA-N 1 0 335.404 2.915 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646330 250214986 /nfs/dbraw/zinc/21/49/86/250214986.db2.gz CHKFCCVYGLSEJB-OLZOCXBDSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000443642988 250215155 /nfs/dbraw/zinc/21/51/55/250215155.db2.gz QDGLIIKNVDUWBI-KBPBESRZSA-N 1 0 331.416 2.852 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)s1 ZINC000443522736 250202291 /nfs/dbraw/zinc/20/22/91/250202291.db2.gz MXJOBKUOTQWORE-UHFFFAOYSA-N 1 0 348.428 2.689 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OC ZINC000093761087 218246250 /nfs/dbraw/zinc/24/62/50/218246250.db2.gz OCSZUNUIMBVBRN-LBPRGKRZSA-N 1 0 326.418 2.939 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444269353 250278836 /nfs/dbraw/zinc/27/88/36/250278836.db2.gz OIHQOMXXDKKTLU-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO COc1cccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000444036270 250251222 /nfs/dbraw/zinc/25/12/22/250251222.db2.gz YMCVGUKSBNGQLZ-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000444138801 250263899 /nfs/dbraw/zinc/26/38/99/250263899.db2.gz FQVSBVHOBBQSPQ-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000444138800 250264334 /nfs/dbraw/zinc/26/43/34/250264334.db2.gz FQVSBVHOBBQSPQ-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000093969733 218258110 /nfs/dbraw/zinc/25/81/10/218258110.db2.gz SFUABWIWXWUDCJ-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)nc2c1 ZINC000444685648 250328136 /nfs/dbraw/zinc/32/81/36/250328136.db2.gz OWKJZKDMMMIMNU-HOCLYGCPSA-N 1 0 340.387 2.941 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000444772103 250345074 /nfs/dbraw/zinc/34/50/74/250345074.db2.gz TVXGPWYCRBGJDW-KRWDZBQOSA-N 1 0 338.404 2.609 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000094019632 218261054 /nfs/dbraw/zinc/26/10/54/218261054.db2.gz LAFKNYKIPNBHPQ-LBPRGKRZSA-N 1 0 333.432 2.982 20 5 EFBDRO Cc1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000444739257 250336525 /nfs/dbraw/zinc/33/65/25/250336525.db2.gz VSDWXPONBQCAFT-INIZCTEOSA-N 1 0 348.374 2.914 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2OCO3)n1 ZINC000447541979 250574347 /nfs/dbraw/zinc/57/43/47/250574347.db2.gz NMGNSZLLSXRWMI-KGLIPLIRSA-N 1 0 344.371 2.794 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[NH+](C)C ZINC000447811756 250614277 /nfs/dbraw/zinc/61/42/77/250614277.db2.gz HNULLWOGWFARNK-UHFFFAOYSA-N 1 0 329.784 2.787 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCCCC1=O ZINC000449063833 250898859 /nfs/dbraw/zinc/89/88/59/250898859.db2.gz RHQLDSFBVQVLGC-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000267377013 251000009 /nfs/dbraw/zinc/00/00/09/251000009.db2.gz AHLBCWJOCWRIRJ-ZDUSSCGKSA-N 1 0 346.387 2.585 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449402064 251014381 /nfs/dbraw/zinc/01/43/81/251014381.db2.gz JMIORBYAABTKHF-WOSRLPQWSA-N 1 0 337.420 2.963 20 5 EFBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000449405288 251015290 /nfs/dbraw/zinc/01/52/90/251015290.db2.gz XZWXOOOAJDLNOV-ZDUSSCGKSA-N 1 0 328.372 2.805 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449465693 251036300 /nfs/dbraw/zinc/03/63/00/251036300.db2.gz BDNQIAQRPOSIHU-NSHDSACASA-N 1 0 348.428 2.909 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000449515611 251048662 /nfs/dbraw/zinc/04/86/62/251048662.db2.gz AIJJCMXDEMSHHF-DYVFJYSZSA-N 1 0 327.384 2.991 20 5 EFBDRO CCN1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449520976 251050542 /nfs/dbraw/zinc/05/05/42/251050542.db2.gz TUNGHZRARJPUGF-IMJJTQAJSA-N 1 0 331.416 2.516 20 5 EFBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449496879 251042728 /nfs/dbraw/zinc/04/27/28/251042728.db2.gz HXLQHWUXIZGKLG-INIZCTEOSA-N 1 0 341.415 2.830 20 5 EFBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449563235 251066995 /nfs/dbraw/zinc/06/69/95/251066995.db2.gz SVWVZKUNIQQNAF-CHWSQXEVSA-N 1 0 345.403 2.879 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449563236 251068342 /nfs/dbraw/zinc/06/83/42/251068342.db2.gz SVWVZKUNIQQNAF-OLZOCXBDSA-N 1 0 345.403 2.879 20 5 EFBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449563237 251068392 /nfs/dbraw/zinc/06/83/92/251068392.db2.gz SVWVZKUNIQQNAF-QWHCGFSZSA-N 1 0 345.403 2.879 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000449563900 251068436 /nfs/dbraw/zinc/06/84/36/251068436.db2.gz ZLSAXTYSJRDMIU-VIKVFOODSA-N 1 0 349.456 2.681 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449594935 251076380 /nfs/dbraw/zinc/07/63/80/251076380.db2.gz RUQHYSWJCVZTRB-QIIPPGSGSA-N 1 0 344.415 2.769 20 5 EFBDRO CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)COC1 ZINC000449605503 251080223 /nfs/dbraw/zinc/08/02/23/251080223.db2.gz ZKAJAWCBEVZJDX-UHFFFAOYSA-N 1 0 330.388 2.512 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449624931 251085356 /nfs/dbraw/zinc/08/53/56/251085356.db2.gz AFTBKPVCKVWVPW-JKDFXYPNSA-N 1 0 335.404 2.715 20 5 EFBDRO Cn1cc(C[NH2+]CCC[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449685313 251115231 /nfs/dbraw/zinc/11/52/31/251115231.db2.gz SBQHPROEDDPRCW-CQSZACIVSA-N 1 0 344.415 2.902 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449690675 251118002 /nfs/dbraw/zinc/11/80/02/251118002.db2.gz QVIYNJUVFQCYMJ-UONOGXRCSA-N 1 0 349.456 2.535 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449696716 251119739 /nfs/dbraw/zinc/11/97/39/251119739.db2.gz KYRDIGFAYOZJDS-RISCZKNCSA-N 1 0 337.445 2.580 20 5 EFBDRO [NH3+]CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000449713751 251127929 /nfs/dbraw/zinc/12/79/29/251127929.db2.gz AKNZTTLKGOWDTP-LLVKDONJSA-N 1 0 347.318 2.819 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)C(C)(C)O ZINC000449720525 251128940 /nfs/dbraw/zinc/12/89/40/251128940.db2.gz ITHLYZLMAHTGFX-LBPRGKRZSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449705770 251124027 /nfs/dbraw/zinc/12/40/27/251124027.db2.gz LCDLAGUUORWRAC-LLVKDONJSA-N 1 0 344.371 2.967 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449705772 251124393 /nfs/dbraw/zinc/12/43/93/251124393.db2.gz LCDLAGUUORWRAC-NSHDSACASA-N 1 0 344.371 2.967 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449783034 251153810 /nfs/dbraw/zinc/15/38/10/251153810.db2.gz MULTVFITQQMMQW-FRFSOERESA-N 1 0 344.415 2.769 20 5 EFBDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000449762373 251145719 /nfs/dbraw/zinc/14/57/19/251145719.db2.gz HQXDAIHUJNUJBA-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000449782457 251155335 /nfs/dbraw/zinc/15/53/35/251155335.db2.gz YIGHCEKAHUPORK-CYBMUJFWSA-N 1 0 333.413 2.938 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@@H](CCCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449794115 251158220 /nfs/dbraw/zinc/15/82/20/251158220.db2.gz ZTOAXYCJDOFDBS-CQSZACIVSA-N 1 0 344.415 2.590 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000449942138 251207567 /nfs/dbraw/zinc/20/75/67/251207567.db2.gz RVYXYIHVGROIBC-MWLCHTKSSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450255400 251316702 /nfs/dbraw/zinc/31/67/02/251316702.db2.gz BKWFNMIAJNYGFU-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO Cc1nc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450273272 251324468 /nfs/dbraw/zinc/32/44/68/251324468.db2.gz GEEUHHFPKUUHDI-HIFRSBDPSA-N 1 0 327.388 2.941 20 5 EFBDRO Cc1nc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450273271 251324484 /nfs/dbraw/zinc/32/44/84/251324484.db2.gz GEEUHHFPKUUHDI-DZGCQCFKSA-N 1 0 327.388 2.941 20 5 EFBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000450215844 251301460 /nfs/dbraw/zinc/30/14/60/251301460.db2.gz ONFQEJBDRGQZKF-INIZCTEOSA-N 1 0 329.404 2.970 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450327209 251347153 /nfs/dbraw/zinc/34/71/53/251347153.db2.gz AYRHFKKCCBQLOC-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000450334715 251350866 /nfs/dbraw/zinc/35/08/66/251350866.db2.gz UGCDSYYNHXXZOH-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450360594 251360032 /nfs/dbraw/zinc/36/00/32/251360032.db2.gz AGUCZIAKMQNMOA-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451481510 251578599 /nfs/dbraw/zinc/57/85/99/251578599.db2.gz RHHGYGYSEZBQRY-JKSUJKDBSA-N 1 0 347.415 2.779 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OCc1ccccc1 ZINC000451491661 251582488 /nfs/dbraw/zinc/58/24/88/251582488.db2.gz HVNUYYSADMYRPA-CVEARBPZSA-N 1 0 344.415 2.765 20 5 EFBDRO CCOC(=O)c1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268162627 251678031 /nfs/dbraw/zinc/67/80/31/251678031.db2.gz HIWLMYVMVUILDF-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000453328387 252033630 /nfs/dbraw/zinc/03/36/30/252033630.db2.gz SZVVOOARRSWARL-RVSPLBMKSA-N 1 0 338.404 2.696 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453435943 252037297 /nfs/dbraw/zinc/03/72/97/252037297.db2.gz ULXIRNZFEXMXMI-WBMJQRKESA-N 1 0 337.445 2.724 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453435942 252037503 /nfs/dbraw/zinc/03/75/03/252037503.db2.gz ULXIRNZFEXMXMI-MLGOLLRUSA-N 1 0 337.445 2.724 20 5 EFBDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000268598190 252055122 /nfs/dbraw/zinc/05/51/22/252055122.db2.gz WAZMMCONHRPDJZ-UHFFFAOYSA-N 1 0 343.811 2.670 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454552274 252306700 /nfs/dbraw/zinc/30/67/00/252306700.db2.gz TUWNOKTVIYOZHR-ZFWWWQNUSA-N 1 0 346.431 2.972 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@@H]2C[NH+]2CCCCC2)nc2sccn21 ZINC000160446974 285077815 /nfs/dbraw/zinc/07/78/15/285077815.db2.gz WVPXJIANIZOPKW-GFCCVEGCSA-N 1 0 335.433 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363537515 285095022 /nfs/dbraw/zinc/09/50/22/285095022.db2.gz ZNTZIBMMJZTGJY-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000105448131 285111327 /nfs/dbraw/zinc/11/13/27/285111327.db2.gz OQLWTXOERPZWLC-UHFFFAOYSA-N 1 0 341.411 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000428541797 285115159 /nfs/dbraw/zinc/11/51/59/285115159.db2.gz CTOONODKUWZKFK-ZWKOTPCHSA-N 1 0 330.359 2.990 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153415328 224101591 /nfs/dbraw/zinc/10/15/91/224101591.db2.gz RFTLGKDEAIEQSO-PXAZEXFGSA-N 1 0 347.390 2.823 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181646631 533094928 /nfs/dbraw/zinc/09/49/28/533094928.db2.gz CLNHUWBXGPMGFJ-GDBMZVCRSA-N 1 0 345.443 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)CCC2 ZINC000447600047 285145278 /nfs/dbraw/zinc/14/52/78/285145278.db2.gz LNVGMEYCLMBQAQ-GOEBONIOSA-N 1 0 338.429 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@]3(CCOC3)C1)CCC2 ZINC000373206769 285145763 /nfs/dbraw/zinc/14/57/63/285145763.db2.gz UZXSONWOOLMTAD-BMGDILEWSA-N 1 0 332.400 2.900 20 5 EFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000112700248 220378432 /nfs/dbraw/zinc/37/84/32/220378432.db2.gz FRRWSAFYPOCYEC-OAHLLOKOSA-N 1 0 333.432 2.969 20 5 EFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000112699664 220378592 /nfs/dbraw/zinc/37/85/92/220378592.db2.gz YKVGDECJXRBFEB-OAHLLOKOSA-N 1 0 333.432 2.969 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000153700185 224144375 /nfs/dbraw/zinc/14/43/75/224144375.db2.gz FYKZXVDSCPUNJC-BBRMVZONSA-N 1 0 332.404 2.851 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420285078 285158197 /nfs/dbraw/zinc/15/81/97/285158197.db2.gz ZEFPRBNKCVAIRZ-ZIAGYGMSSA-N 1 0 326.400 2.969 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000130407325 285161980 /nfs/dbraw/zinc/16/19/80/285161980.db2.gz LPLVARMDEUDBGK-UKPHBRMFSA-N 1 0 336.457 2.764 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261602660 285170667 /nfs/dbraw/zinc/17/06/67/285170667.db2.gz BVBBWZOYJHJWFD-NSHDSACASA-N 1 0 344.337 2.977 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153715418 224146905 /nfs/dbraw/zinc/14/69/05/224146905.db2.gz RKBMISCQMCRNEN-YOEHRIQHSA-N 1 0 329.400 2.684 20 5 EFBDRO C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185186862 533171350 /nfs/dbraw/zinc/17/13/50/533171350.db2.gz HNJIVEYHRFAXAP-GFCCVEGCSA-N 1 0 337.395 2.638 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000262110670 291913793 /nfs/dbraw/zinc/91/37/93/291913793.db2.gz AVYBRLIWLZLLBW-JKSUJKDBSA-N 1 0 343.358 2.609 20 5 EFBDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926004 224177019 /nfs/dbraw/zinc/17/70/19/224177019.db2.gz VOYQUSOMOKXVKE-NXEZZACHSA-N 1 0 334.825 2.502 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC)C2)cc1[N+](=O)[O-] ZINC000154265600 224228719 /nfs/dbraw/zinc/22/87/19/224228719.db2.gz ZWHWISMIWZZMLZ-GXTWGEPZSA-N 1 0 335.404 2.655 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[C@@H]21 ZINC000268972611 255506914 /nfs/dbraw/zinc/50/69/14/255506914.db2.gz AUHDCOMYQGYAPX-ZFWWWQNUSA-N 1 0 342.399 2.632 20 5 EFBDRO COc1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000455094257 255598113 /nfs/dbraw/zinc/59/81/13/255598113.db2.gz DTHMWERTBVWNBK-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000456195951 255628999 /nfs/dbraw/zinc/62/89/99/255628999.db2.gz HJABIKWTGQIOEW-UHFFFAOYSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456542513 255647329 /nfs/dbraw/zinc/64/73/29/255647329.db2.gz DRRHXENHUAEDME-OAHLLOKOSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117756514 221086491 /nfs/dbraw/zinc/08/64/91/221086491.db2.gz RPFAMNVZGXWMMN-LBPRGKRZSA-N 1 0 339.823 2.639 20 5 EFBDRO CC1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117756272 221086504 /nfs/dbraw/zinc/08/65/04/221086504.db2.gz GSCVSOOPDGDFNF-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000117791899 221089582 /nfs/dbraw/zinc/08/95/82/221089582.db2.gz YYUGLDCRAHODMT-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CCC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000466484055 256003038 /nfs/dbraw/zinc/00/30/38/256003038.db2.gz ZZWYHINANUXOAI-AWEZNQCLSA-N 1 0 331.416 2.996 20 5 EFBDRO CCC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000466485808 256003280 /nfs/dbraw/zinc/00/32/80/256003280.db2.gz ANRKMKNAFVLWFB-AWEZNQCLSA-N 1 0 331.416 2.996 20 5 EFBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118825718 221190878 /nfs/dbraw/zinc/19/08/78/221190878.db2.gz HEPMCBNYZFWORN-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC[NH+](C)C)CC1 ZINC000118868364 221199376 /nfs/dbraw/zinc/19/93/76/221199376.db2.gz DWRVUVNQHHQHLL-AWEZNQCLSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCO[C@@H]1CCOC1)C1CC1 ZINC000119036988 221229008 /nfs/dbraw/zinc/22/90/08/221229008.db2.gz QJWDMJXTYDTOCQ-SJORKVTESA-N 1 0 334.416 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153295556 533223808 /nfs/dbraw/zinc/22/38/08/533223808.db2.gz SESSTDFOBJCUPF-CHWSQXEVSA-N 1 0 333.388 2.664 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119662148 221370399 /nfs/dbraw/zinc/37/03/99/221370399.db2.gz HYARGTVJWLCQSJ-AWEZNQCLSA-N 1 0 335.404 2.777 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC000985443790 724381931 /nfs/dbraw/zinc/38/19/31/724381931.db2.gz ZAKNHDCNLAMUNA-UHFFFAOYSA-N 1 0 337.445 2.879 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000119721010 221385320 /nfs/dbraw/zinc/38/53/20/221385320.db2.gz BJYPXMYNFWMIMS-KIUWMYQTSA-N 1 0 331.416 2.702 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC000985443777 724382090 /nfs/dbraw/zinc/38/20/90/724382090.db2.gz YXAVVOUUVMLRSV-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186496870 533289563 /nfs/dbraw/zinc/28/95/63/533289563.db2.gz QCFCJODTXAVOMO-SJKOYZFVSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178663086 533459387 /nfs/dbraw/zinc/45/93/87/533459387.db2.gz IOPRXJRJYQIFIY-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000131004495 533407245 /nfs/dbraw/zinc/40/72/45/533407245.db2.gz UZSLZMLAIIILAI-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344877051 533409089 /nfs/dbraw/zinc/40/90/89/533409089.db2.gz PAXWQHYXOJLHOD-MDWZMJQESA-N 1 0 325.368 2.887 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337848345 533409176 /nfs/dbraw/zinc/40/91/76/533409176.db2.gz ILCVTXSAYJSAAK-FIRJTHROSA-N 1 0 329.400 2.741 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344870794 533409336 /nfs/dbraw/zinc/40/93/36/533409336.db2.gz XYYHISQTUABXGR-XLCPLWEUSA-N 1 0 347.459 2.681 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184354239 533416081 /nfs/dbraw/zinc/41/60/81/533416081.db2.gz LOKYNROOMIWJTF-BXUZGUMPSA-N 1 0 346.412 2.718 20 5 EFBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000174545256 533523808 /nfs/dbraw/zinc/52/38/08/533523808.db2.gz XPUKBZQJXRSAFK-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000178649268 533503996 /nfs/dbraw/zinc/50/39/96/533503996.db2.gz AMEFNJSPPUEZKS-UONOGXRCSA-N 1 0 327.384 2.950 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000132624054 533516568 /nfs/dbraw/zinc/51/65/68/533516568.db2.gz UMUKNXALUVFCQT-BXUZGUMPSA-N 1 0 335.404 2.858 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000132624490 533540198 /nfs/dbraw/zinc/54/01/98/533540198.db2.gz UMUKNXALUVFCQT-RISCZKNCSA-N 1 0 335.404 2.858 20 5 EFBDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000183743589 533571725 /nfs/dbraw/zinc/57/17/25/533571725.db2.gz DGQAEQFQNUFLIU-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173214242 533673524 /nfs/dbraw/zinc/67/35/24/533673524.db2.gz SEJBOYRCZKJLJS-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000181928672 296515793 /nfs/dbraw/zinc/51/57/93/296515793.db2.gz YFDLUPYHTDYVRX-GFCCVEGCSA-N 1 0 348.321 2.609 20 5 EFBDRO COc1c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1C ZINC000162386651 141370624 /nfs/dbraw/zinc/37/06/24/141370624.db2.gz ONUJLTYKGJOJOT-INIZCTEOSA-N 1 0 344.415 2.756 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2CCOCC2)CC1 ZINC000182822077 141376574 /nfs/dbraw/zinc/37/65/74/141376574.db2.gz LGVFFBOZTMIEKU-HNNXBMFYSA-N 1 0 333.432 2.761 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000338893671 141692526 /nfs/dbraw/zinc/69/25/26/141692526.db2.gz XJFXZYIQBFUAFE-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000340112563 141744031 /nfs/dbraw/zinc/74/40/31/141744031.db2.gz MLTPDRYNDHGOLO-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO Nc1nc(Nc2ccc(CC[NH+]3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000341815405 141872244 /nfs/dbraw/zinc/87/22/44/141872244.db2.gz XVMCTDKDGYFQGN-UHFFFAOYSA-N 1 0 342.403 2.569 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343438775 141997912 /nfs/dbraw/zinc/99/79/12/141997912.db2.gz LOPVKZNEJNOOJE-BXUZGUMPSA-N 1 0 337.445 2.919 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000344427912 142014686 /nfs/dbraw/zinc/01/46/86/142014686.db2.gz JWCRJRCBBIZTJF-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000344446729 142018325 /nfs/dbraw/zinc/01/83/25/142018325.db2.gz KNJAHXIKJCGJJL-VXGBXAGGSA-N 1 0 339.823 2.732 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344462265 142021138 /nfs/dbraw/zinc/02/11/38/142021138.db2.gz QTGAWNVGEOZGAI-STQMWFEESA-N 1 0 334.420 2.581 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344487100 142026300 /nfs/dbraw/zinc/02/63/00/142026300.db2.gz UNGBAMPMAYFOCT-BAESOJJISA-N 1 0 335.404 2.571 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000344485851 142026337 /nfs/dbraw/zinc/02/63/37/142026337.db2.gz YEZJINXIYMJGRP-NOXHYTERSA-N 1 0 349.431 2.879 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344603954 142047217 /nfs/dbraw/zinc/04/72/17/142047217.db2.gz JFIBYNSDOWGVPT-HNNXBMFYSA-N 1 0 344.415 2.926 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344688996 142061414 /nfs/dbraw/zinc/06/14/14/142061414.db2.gz CQWBRCUDBRQOKW-OAHLLOKOSA-N 1 0 334.372 2.970 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000344737991 142070265 /nfs/dbraw/zinc/07/02/65/142070265.db2.gz AVEJNCMVDBSHLZ-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO Cn1cc(C[NH2+]CCc2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344791035 142078825 /nfs/dbraw/zinc/07/88/25/142078825.db2.gz QMKNMZLWDXUKBF-UHFFFAOYSA-N 1 0 337.383 2.723 20 5 EFBDRO CC(=O)N1CCC(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344873599 142090337 /nfs/dbraw/zinc/09/03/37/142090337.db2.gz MTGDSMUTFUDGRW-GXDHUFHOSA-N 1 0 331.416 2.846 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000345923049 142118493 /nfs/dbraw/zinc/11/84/93/142118493.db2.gz PZUFMXHICFLMBI-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000345938411 142120799 /nfs/dbraw/zinc/12/07/99/142120799.db2.gz BXWSKZKDCCKEPY-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000346109629 142148065 /nfs/dbraw/zinc/14/80/65/142148065.db2.gz OZZUTSSOBLTADS-ZDUSSCGKSA-N 1 0 331.416 2.639 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000346249440 142176536 /nfs/dbraw/zinc/17/65/36/142176536.db2.gz XPSLFPMOHIMXFD-CYBMUJFWSA-N 1 0 344.371 2.853 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346303002 142186466 /nfs/dbraw/zinc/18/64/66/142186466.db2.gz WGWIJAMNLPTRME-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346324440 142189824 /nfs/dbraw/zinc/18/98/24/142189824.db2.gz LQRQECQSZUFLKV-LLVKDONJSA-N 1 0 348.428 2.788 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000346350907 142193462 /nfs/dbraw/zinc/19/34/62/142193462.db2.gz MLRKXWRQVBWDEX-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346414180 142201289 /nfs/dbraw/zinc/20/12/89/142201289.db2.gz GPWHCNUGFYSSAD-ZDUSSCGKSA-N 1 0 330.388 2.680 20 5 EFBDRO CCc1ccc([C@H]([NH2+]CCCC(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346500352 142212800 /nfs/dbraw/zinc/21/28/00/142212800.db2.gz ULPWWBQFUAABFS-GOSISDBHSA-N 1 0 345.399 2.955 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347442568 142217399 /nfs/dbraw/zinc/21/73/99/142217399.db2.gz HLCCVBCILPCTID-LBPRGKRZSA-N 1 0 337.807 2.693 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347490095 142225187 /nfs/dbraw/zinc/22/51/87/142225187.db2.gz ZEOXFMNPTJKWDB-DLBZAZTESA-N 1 0 344.415 2.969 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347490098 142225442 /nfs/dbraw/zinc/22/54/42/142225442.db2.gz ZEOXFMNPTJKWDB-SJORKVTESA-N 1 0 344.415 2.969 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347545030 142233871 /nfs/dbraw/zinc/23/38/71/142233871.db2.gz UHHKHZIFRKTTGS-LBPRGKRZSA-N 1 0 344.371 2.596 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347665840 142254032 /nfs/dbraw/zinc/25/40/32/142254032.db2.gz FOKGDBRHHYSMRO-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347698015 142258559 /nfs/dbraw/zinc/25/85/59/142258559.db2.gz IIWIVFPGWZFOLB-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO Cc1ccncc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847515 142281224 /nfs/dbraw/zinc/28/12/24/142281224.db2.gz GOMIQIOSBATOAZ-INIZCTEOSA-N 1 0 341.415 2.812 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000347897478 142288980 /nfs/dbraw/zinc/28/89/80/142288980.db2.gz COHDWVVSIIMOIP-UHFFFAOYSA-N 1 0 346.431 2.740 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000347909195 142291360 /nfs/dbraw/zinc/29/13/60/142291360.db2.gz RNQRRMJSKCCIPX-AGIUHOORSA-N 1 0 337.395 2.779 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000347909200 142291402 /nfs/dbraw/zinc/29/14/02/142291402.db2.gz RNQRRMJSKCCIPX-FRRDWIJNSA-N 1 0 337.395 2.779 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000347909197 142291414 /nfs/dbraw/zinc/29/14/14/142291414.db2.gz RNQRRMJSKCCIPX-AVGNSLFASA-N 1 0 337.395 2.779 20 5 EFBDRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000347926459 142294507 /nfs/dbraw/zinc/29/45/07/142294507.db2.gz HMPNFYXFDXOWRI-OAHLLOKOSA-N 1 0 347.371 2.884 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943157 142297636 /nfs/dbraw/zinc/29/76/36/142297636.db2.gz OBLKOQJLBCMAKH-STQMWFEESA-N 1 0 337.395 2.686 20 5 EFBDRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000348060524 142315099 /nfs/dbraw/zinc/31/50/99/142315099.db2.gz HHVBDBCRYYCSNP-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000348074880 142317354 /nfs/dbraw/zinc/31/73/54/142317354.db2.gz LJRSRBXMMBRQNS-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@H]1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000349664508 142345299 /nfs/dbraw/zinc/34/52/99/142345299.db2.gz MBFWLVTZEFUVSG-CHWSQXEVSA-N 1 0 340.445 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000349661903 142345332 /nfs/dbraw/zinc/34/53/32/142345332.db2.gz GZPVWYARGBJPLN-CVEARBPZSA-N 1 0 338.429 2.537 20 5 EFBDRO CSc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000349975352 142385876 /nfs/dbraw/zinc/38/58/76/142385876.db2.gz RFMPLKLFADOIIO-UHFFFAOYSA-N 1 0 335.429 2.699 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000350016563 142390106 /nfs/dbraw/zinc/39/01/06/142390106.db2.gz NHWHLXDAYQJNJX-GFCCVEGCSA-N 1 0 343.387 2.802 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000337683433 143782903 /nfs/dbraw/zinc/78/29/03/143782903.db2.gz OMNXMJVRXMQVGX-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000341194627 145010013 /nfs/dbraw/zinc/01/00/13/145010013.db2.gz HULKDMDYXIXDRB-VHSXEESVSA-N 1 0 326.784 2.852 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341207265 145013066 /nfs/dbraw/zinc/01/30/66/145013066.db2.gz JWRCDYBUTOEJKG-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000341208178 145013256 /nfs/dbraw/zinc/01/32/56/145013256.db2.gz KXIOSONMWNPHSR-LLVKDONJSA-N 1 0 329.356 2.553 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000341221268 145016027 /nfs/dbraw/zinc/01/60/27/145016027.db2.gz UMYGFGRIBJEYJP-NSHDSACASA-N 1 0 329.356 2.553 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000341225549 145016693 /nfs/dbraw/zinc/01/66/93/145016693.db2.gz ZVXFMCNBUCCGJD-MRXNPFEDSA-N 1 0 343.383 2.555 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000341259629 145022225 /nfs/dbraw/zinc/02/22/25/145022225.db2.gz CLTYUEJOOASQCZ-LLVKDONJSA-N 1 0 325.434 2.634 20 5 EFBDRO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000341341224 145036318 /nfs/dbraw/zinc/03/63/18/145036318.db2.gz FZHCCAMCVDGSDG-CQSZACIVSA-N 1 0 327.812 2.985 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000341381842 145042707 /nfs/dbraw/zinc/04/27/07/145042707.db2.gz FLORIMKXMAGUAF-CYBMUJFWSA-N 1 0 342.399 2.878 20 5 EFBDRO Cc1ccccc1-n1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000342166281 145073685 /nfs/dbraw/zinc/07/36/85/145073685.db2.gz OJZKVIQHWAPLRK-UHFFFAOYSA-N 1 0 337.383 2.816 20 5 EFBDRO Cc1ccccc1-n1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000342179082 145076055 /nfs/dbraw/zinc/07/60/55/145076055.db2.gz YDASOKUKPXNCMK-UHFFFAOYSA-N 1 0 337.383 2.816 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000342211315 145081077 /nfs/dbraw/zinc/08/10/77/145081077.db2.gz NZMAQPVBTSPESG-UHFFFAOYSA-N 1 0 349.431 2.616 20 5 EFBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000342232285 145084508 /nfs/dbraw/zinc/08/45/08/145084508.db2.gz XUFYQSOGKPCCNT-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000342235131 145084678 /nfs/dbraw/zinc/08/46/78/145084678.db2.gz IOHUXANZKMEBCP-UKRRQHHQSA-N 1 0 330.388 2.586 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000342272230 145091190 /nfs/dbraw/zinc/09/11/90/145091190.db2.gz ZAYXTARERILHOP-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342350430 145106673 /nfs/dbraw/zinc/10/66/73/145106673.db2.gz YGTAXCXHLQLMBE-KBPBESRZSA-N 1 0 340.445 2.784 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342369556 145110025 /nfs/dbraw/zinc/11/00/25/145110025.db2.gz GUYHWVSDTIJNJQ-SFHVURJKSA-N 1 0 345.374 2.783 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342422190 145122109 /nfs/dbraw/zinc/12/21/09/145122109.db2.gz CEQOZTAGINHTBT-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584799 145153275 /nfs/dbraw/zinc/15/32/75/145153275.db2.gz IDWHZQPZYOJBAB-UONOGXRCSA-N 1 0 335.404 2.731 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccoc1 ZINC000342631577 145162623 /nfs/dbraw/zinc/16/26/23/145162623.db2.gz GDKQUMWAGOKDFM-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342715986 145178765 /nfs/dbraw/zinc/17/87/65/145178765.db2.gz DCHLLJRWJGHJEB-YXAMBPQSSA-N 1 0 349.456 2.661 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000342787532 145193145 /nfs/dbraw/zinc/19/31/45/145193145.db2.gz UQTZBZSDQHTNLJ-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000342793184 145194402 /nfs/dbraw/zinc/19/44/02/145194402.db2.gz YSXMNVYPLLQXAY-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCCCC1 ZINC000342880755 145214436 /nfs/dbraw/zinc/21/44/36/145214436.db2.gz NGMMEDHKABRBSC-CYBMUJFWSA-N 1 0 344.415 2.928 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342918229 145221172 /nfs/dbraw/zinc/22/11/72/145221172.db2.gz YVWLAEZFYSJVTK-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+](C)C ZINC000342920586 145222008 /nfs/dbraw/zinc/22/20/08/145222008.db2.gz KSSRVAJXTZCCBO-GFCCVEGCSA-N 1 0 332.404 2.782 20 5 EFBDRO Cc1nccn1CCCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342937155 145225039 /nfs/dbraw/zinc/22/50/39/145225039.db2.gz DDJHEXMYDIAINF-UHFFFAOYSA-N 1 0 341.371 2.743 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000343543730 145233798 /nfs/dbraw/zinc/23/37/98/145233798.db2.gz JKCLISOWISEBAX-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000343563510 145239576 /nfs/dbraw/zinc/23/95/76/145239576.db2.gz ZMSCVGHZUXCLPN-IAGOWNOFSA-N 1 0 342.395 2.652 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000343569086 145241225 /nfs/dbraw/zinc/24/12/25/145241225.db2.gz LUEJLLSHSFLENG-CQSZACIVSA-N 1 0 335.404 2.516 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000343572049 145242216 /nfs/dbraw/zinc/24/22/16/145242216.db2.gz OIMGXZSISXBNBR-HNNXBMFYSA-N 1 0 344.415 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]2c2ccccc2)cc1 ZINC000343574009 145242262 /nfs/dbraw/zinc/24/22/62/145242262.db2.gz KUFOGRWRXSLHPN-QGZVFWFLSA-N 1 0 346.408 2.816 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000343581214 145244437 /nfs/dbraw/zinc/24/44/37/145244437.db2.gz WKDWJIOFWNYPIT-CQSZACIVSA-N 1 0 337.445 2.678 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000343584596 145245386 /nfs/dbraw/zinc/24/53/86/145245386.db2.gz ZYZKAPCTAWQGIR-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000343788610 145294642 /nfs/dbraw/zinc/29/46/42/145294642.db2.gz ZXXLRJNLPSGUSW-ZDUSSCGKSA-N 1 0 337.395 2.782 20 5 EFBDRO CC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000343912630 145322468 /nfs/dbraw/zinc/32/24/68/145322468.db2.gz SSHSCRSVBHTVMY-AWEZNQCLSA-N 1 0 331.416 2.996 20 5 EFBDRO CCCN(CCN1CC[NH+](CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000344117225 145372171 /nfs/dbraw/zinc/37/21/71/145372171.db2.gz BMLMJZBBAIAIMH-UHFFFAOYSA-N 1 0 340.493 2.506 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344180521 145386193 /nfs/dbraw/zinc/38/61/93/145386193.db2.gz NTZSZDIIPQNGRA-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344188934 145387952 /nfs/dbraw/zinc/38/79/52/145387952.db2.gz LWRPTVVPSCJSQA-CYBMUJFWSA-N 1 0 337.395 2.976 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000344189381 145388862 /nfs/dbraw/zinc/38/88/62/145388862.db2.gz MPBZOLLTUJFNEX-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000344209295 145393242 /nfs/dbraw/zinc/39/32/42/145393242.db2.gz AWGFSJWGDVDSGC-HNNXBMFYSA-N 1 0 348.447 2.708 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215645 145394582 /nfs/dbraw/zinc/39/45/82/145394582.db2.gz QBUIDVCQRYBJGC-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215649 145394828 /nfs/dbraw/zinc/39/48/28/145394828.db2.gz QBUIDVCQRYBJGC-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000347197695 145811627 /nfs/dbraw/zinc/81/16/27/145811627.db2.gz LWHGVORHMPJYMD-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000347381443 145855143 /nfs/dbraw/zinc/85/51/43/145855143.db2.gz WNGJPSKTLWBUKA-IAQYHMDHSA-N 1 0 325.434 2.897 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348915699 146023721 /nfs/dbraw/zinc/02/37/21/146023721.db2.gz CMZZLDRDUTZNAP-QGZVFWFLSA-N 1 0 347.415 2.733 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000349201476 146065748 /nfs/dbraw/zinc/06/57/48/146065748.db2.gz LANLXKBYJZENNW-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO COCCN(CC[NH+](C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349303003 146077512 /nfs/dbraw/zinc/07/75/12/146077512.db2.gz YNOYHMDXCSNPSV-UHFFFAOYSA-N 1 0 347.415 2.865 20 5 EFBDRO CCOc1ncccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351505115 146133250 /nfs/dbraw/zinc/13/32/50/146133250.db2.gz ZPPSOLISPKKWTF-LSDHHAIUSA-N 1 0 345.403 2.859 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351644831 146167005 /nfs/dbraw/zinc/16/70/05/146167005.db2.gz BCNNBALZLMOFJP-DZGCQCFKSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351653096 146169195 /nfs/dbraw/zinc/16/91/95/146169195.db2.gz UYGNJICWYIQTAY-CYBMUJFWSA-N 1 0 336.367 2.826 20 5 EFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351660259 146170903 /nfs/dbraw/zinc/17/09/03/146170903.db2.gz BNYLTPIQURADML-GUTXKFCHSA-N 1 0 333.432 2.999 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN[C@H](CO)c2cccc(F)c2)c(F)c1 ZINC000351722168 146187350 /nfs/dbraw/zinc/18/73/50/146187350.db2.gz VLBQUFNBFPYNTC-OAHLLOKOSA-N 1 0 326.274 2.835 20 5 EFBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000351725831 146188009 /nfs/dbraw/zinc/18/80/09/146188009.db2.gz UXRLKWGJZICXDJ-PBWFPOADSA-N 1 0 336.367 2.823 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744750 146193060 /nfs/dbraw/zinc/19/30/60/146193060.db2.gz XCIHQYYXDXASGC-NHYWBVRUSA-N 1 0 336.367 2.824 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000351749821 146194127 /nfs/dbraw/zinc/19/41/27/146194127.db2.gz QGHNSNODEVPIMP-LLVKDONJSA-N 1 0 336.367 2.872 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000351848328 146217608 /nfs/dbraw/zinc/21/76/08/146217608.db2.gz BCEIQCROYZXYJI-UHFFFAOYSA-N 1 0 325.359 2.933 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000351855629 146219145 /nfs/dbraw/zinc/21/91/45/146219145.db2.gz IPHDQIFZDKTAFN-GFCCVEGCSA-N 1 0 325.359 2.933 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000352010192 146264341 /nfs/dbraw/zinc/26/43/41/146264341.db2.gz ZTAVCKUVVZRYJN-NSHDSACASA-N 1 0 327.331 2.901 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000352018179 146266276 /nfs/dbraw/zinc/26/62/76/146266276.db2.gz OHFVKDHSXBHEMY-MPGHIAIKSA-N 1 0 333.432 2.759 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000352846539 146331930 /nfs/dbraw/zinc/33/19/30/146331930.db2.gz ABWVWFQSFBPIFN-BHIYHBOVSA-N 1 0 342.395 2.671 20 5 EFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352892203 146342504 /nfs/dbraw/zinc/34/25/04/146342504.db2.gz ISXBVRJXQHBNCZ-WMLDXEAASA-N 1 0 349.431 2.573 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353021936 146376591 /nfs/dbraw/zinc/37/65/91/146376591.db2.gz LCOOTELWIPIOND-LLVKDONJSA-N 1 0 346.330 2.543 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000355581740 147002916 /nfs/dbraw/zinc/00/29/16/147002916.db2.gz KKJUIUZLQRFUTQ-UHFFFAOYSA-N 1 0 336.388 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000355607243 147011274 /nfs/dbraw/zinc/01/12/74/147011274.db2.gz NKXUBSSLJTXJPU-UHFFFAOYSA-N 1 0 344.367 2.779 20 5 EFBDRO COc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000356142439 147158193 /nfs/dbraw/zinc/15/81/93/147158193.db2.gz ATFNLYULAMOLLM-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000356323076 147212002 /nfs/dbraw/zinc/21/20/02/147212002.db2.gz IUXWEJXBVCYEOP-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000356647454 147299198 /nfs/dbraw/zinc/29/91/98/147299198.db2.gz FXAPOUWBLYUUDC-OAHLLOKOSA-N 1 0 331.420 2.693 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356875317 147359935 /nfs/dbraw/zinc/35/99/35/147359935.db2.gz ASRJPYWTDXKZFT-LBPRGKRZSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)CC1CC1 ZINC000356898878 147366232 /nfs/dbraw/zinc/36/62/32/147366232.db2.gz VOKQBXWRXDWSRA-UHFFFAOYSA-N 1 0 348.447 2.897 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000356921399 147373200 /nfs/dbraw/zinc/37/32/00/147373200.db2.gz POXYFPWQRZAIEP-LBPRGKRZSA-N 1 0 333.388 2.903 20 5 EFBDRO Cc1c(CNC(=O)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000358274125 147756709 /nfs/dbraw/zinc/75/67/09/147756709.db2.gz LKAZWJARGSLUBN-UHFFFAOYSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1c(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000358691926 147872111 /nfs/dbraw/zinc/87/21/11/147872111.db2.gz YAVABIDZPXSHEH-UHFFFAOYSA-N 1 0 348.447 2.965 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000359194354 148020224 /nfs/dbraw/zinc/02/02/24/148020224.db2.gz RYEFWLVDGXJIQJ-LSDHHAIUSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1cc(NC2(C[NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359292738 148047315 /nfs/dbraw/zinc/04/73/15/148047315.db2.gz MPXHKTGSNLRHOQ-UHFFFAOYSA-N 1 0 341.415 2.678 20 5 EFBDRO CNc1c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000359314636 148053636 /nfs/dbraw/zinc/05/36/36/148053636.db2.gz CQPMFLALDRXYKQ-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000359382225 148071692 /nfs/dbraw/zinc/07/16/92/148071692.db2.gz QJRQDCMWZPNUCK-AWEZNQCLSA-N 1 0 347.419 2.843 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000359469989 148094519 /nfs/dbraw/zinc/09/45/19/148094519.db2.gz SNCINMWNGBWGHM-UHFFFAOYSA-N 1 0 339.411 2.857 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000359536556 148113689 /nfs/dbraw/zinc/11/36/89/148113689.db2.gz XELCIRAKQDQMNE-STQMWFEESA-N 1 0 334.420 2.527 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000359541782 148115660 /nfs/dbraw/zinc/11/56/60/148115660.db2.gz KJXKLEUKDWEQEK-BBRMVZONSA-N 1 0 348.447 2.917 20 5 EFBDRO Cc1c(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000359549611 148118689 /nfs/dbraw/zinc/11/86/89/148118689.db2.gz FCNYZXOEYBHFKS-AWEZNQCLSA-N 1 0 348.447 2.775 20 5 EFBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000359553249 148121068 /nfs/dbraw/zinc/12/10/68/148121068.db2.gz RNTBCENPCUFECN-UHFFFAOYSA-N 1 0 336.436 2.632 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359633029 148145679 /nfs/dbraw/zinc/14/56/79/148145679.db2.gz JOCPHMHSRBFDGI-KRWDZBQOSA-N 1 0 336.432 2.985 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000359806363 148193870 /nfs/dbraw/zinc/19/38/70/148193870.db2.gz OOCMBJJAJQUIFA-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000359832153 148201581 /nfs/dbraw/zinc/20/15/81/148201581.db2.gz LJGJLLKFSJBKIZ-KSSFIOAISA-N 1 0 339.395 2.988 20 5 EFBDRO Cc1cc(NC(C)(C)CC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360066261 148263965 /nfs/dbraw/zinc/26/39/65/148263965.db2.gz OHUPMMQWACRLSG-UHFFFAOYSA-N 1 0 338.427 2.870 20 5 EFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070653 148264472 /nfs/dbraw/zinc/26/44/72/148264472.db2.gz IJWDYTTWLQSDHV-ZDUSSCGKSA-N 1 0 325.384 2.955 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000360090473 148269498 /nfs/dbraw/zinc/26/94/98/148269498.db2.gz WRKGKMDJNWMPTR-GFCCVEGCSA-N 1 0 331.372 2.755 20 5 EFBDRO Cc1c(NC(=O)CC[NH+]2CCC(CCCO)CC2)cccc1[N+](=O)[O-] ZINC000360096968 148270110 /nfs/dbraw/zinc/27/01/10/148270110.db2.gz ICXOURNQQQPDDU-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3ccncc3)C2)nc1 ZINC000360490352 148374165 /nfs/dbraw/zinc/37/41/65/148374165.db2.gz JYBBUZFUFNEMPH-HNNXBMFYSA-N 1 0 327.388 2.504 20 5 EFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1ccccc1F ZINC000361228044 148575945 /nfs/dbraw/zinc/57/59/45/148575945.db2.gz JOPHFULVMFOYPF-ZDUSSCGKSA-N 1 0 329.331 2.629 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361651675 148669715 /nfs/dbraw/zinc/66/97/15/148669715.db2.gz FSDOINBNWDLFCB-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000363928694 149032746 /nfs/dbraw/zinc/03/27/46/149032746.db2.gz ZFGHLCPBRRSDCJ-OAHLLOKOSA-N 1 0 330.388 2.853 20 5 EFBDRO CCOC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363965512 149038686 /nfs/dbraw/zinc/03/86/86/149038686.db2.gz ZDMAXOHIYHMFDH-KBPBESRZSA-N 1 0 333.388 2.810 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cccc([N+](=O)[O-])c2n1 ZINC000364031898 149052053 /nfs/dbraw/zinc/05/20/53/149052053.db2.gz CMIOYAUELJDUMG-KBPBESRZSA-N 1 0 342.399 2.727 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000364514040 149172343 /nfs/dbraw/zinc/17/23/43/149172343.db2.gz PCHBTACHGNOILF-UHEBENCISA-N 1 0 329.400 2.630 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364790089 149243224 /nfs/dbraw/zinc/24/32/24/149243224.db2.gz BSVPSOQSQFCBCG-GFCCVEGCSA-N 1 0 338.795 2.950 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000364867549 149263596 /nfs/dbraw/zinc/26/35/96/149263596.db2.gz PQSAYXPJZSLQCK-ZDUSSCGKSA-N 1 0 339.395 2.577 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364877640 149265690 /nfs/dbraw/zinc/26/56/90/149265690.db2.gz NTHAPAPSYAQRCF-CQSZACIVSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1ccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000364940050 149280471 /nfs/dbraw/zinc/28/04/71/149280471.db2.gz BGAGSEDXFUUBHT-UHFFFAOYSA-N 1 0 346.475 2.757 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)n1 ZINC000365115295 149319973 /nfs/dbraw/zinc/31/99/73/149319973.db2.gz GAVMSCQHWDNXKO-UHFFFAOYSA-N 1 0 340.383 2.904 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368052993 150021529 /nfs/dbraw/zinc/02/15/29/150021529.db2.gz AVMFYOSWMAIEHR-SFHVURJKSA-N 1 0 349.431 2.572 20 5 EFBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000368131480 150046534 /nfs/dbraw/zinc/04/65/34/150046534.db2.gz AKCJCFLVRAHPMV-LBPRGKRZSA-N 1 0 329.356 2.552 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCOC2)CC1 ZINC000368285411 150086836 /nfs/dbraw/zinc/08/68/36/150086836.db2.gz PBTLHTUENCEDRY-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000368325159 150095002 /nfs/dbraw/zinc/09/50/02/150095002.db2.gz XWFZPYAEYDJMPM-GXTWGEPZSA-N 1 0 335.379 2.534 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000368510990 150137127 /nfs/dbraw/zinc/13/71/27/150137127.db2.gz ZNWQTIAXHXBZCZ-DKRLNXSXSA-N 1 0 329.400 2.599 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000368659497 150173169 /nfs/dbraw/zinc/17/31/69/150173169.db2.gz OLJDWGSLXCTRRN-ZDUSSCGKSA-N 1 0 338.404 2.861 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000368834972 150217026 /nfs/dbraw/zinc/21/70/26/150217026.db2.gz PDEJDMXWUDANHJ-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3C3CC3)co2)cc1 ZINC000368903388 150233848 /nfs/dbraw/zinc/23/38/48/150233848.db2.gz GJXDLPHJZNEHBZ-HZPDHXFCSA-N 1 0 329.356 2.907 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000369223813 150304347 /nfs/dbraw/zinc/30/43/47/150304347.db2.gz HSILIEQBFDKNQX-UKPHBRMFSA-N 1 0 331.416 2.659 20 5 EFBDRO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369265127 150314818 /nfs/dbraw/zinc/31/48/18/150314818.db2.gz DUXHCTXCOPXZBH-LBPRGKRZSA-N 1 0 338.839 2.829 20 5 EFBDRO Cc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccn2)cc1 ZINC000369304110 150324486 /nfs/dbraw/zinc/32/44/86/150324486.db2.gz XTHZUHOIPLRVCW-SFHVURJKSA-N 1 0 337.383 2.874 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372729626 151052081 /nfs/dbraw/zinc/05/20/81/151052081.db2.gz VYOVMONDLHDHSQ-IAGOWNOFSA-N 1 0 330.388 2.507 20 5 EFBDRO COc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)cc([N+](=O)[O-])c1C ZINC000372777068 151060861 /nfs/dbraw/zinc/06/08/61/151060861.db2.gz SVAGEVVXDLSACM-UHFFFAOYSA-N 1 0 347.415 2.612 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372965305 151088599 /nfs/dbraw/zinc/08/85/99/151088599.db2.gz LYEVCBCXEGMWTO-GWCFXTLKSA-N 1 0 331.397 2.634 20 5 EFBDRO C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000373412176 151165680 /nfs/dbraw/zinc/16/56/80/151165680.db2.gz JFNINYOFAQDVOJ-LRDDRELGSA-N 1 0 340.383 2.672 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373939491 151254063 /nfs/dbraw/zinc/25/40/63/151254063.db2.gz SMAQESBPTAWKPQ-NWDGAFQWSA-N 1 0 335.429 2.673 20 5 EFBDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373941829 151254442 /nfs/dbraw/zinc/25/44/42/151254442.db2.gz VVVKLPYZGBQHBD-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374394993 151338285 /nfs/dbraw/zinc/33/82/85/151338285.db2.gz RNVYIYZTWJLQJZ-KGLIPLIRSA-N 1 0 344.371 2.503 20 5 EFBDRO CSc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000374514939 151361265 /nfs/dbraw/zinc/36/12/65/151361265.db2.gz RCLWCKHATPWTOI-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c2c(c1)COCO2 ZINC000374597702 151377448 /nfs/dbraw/zinc/37/74/48/151377448.db2.gz WDOJCYCBNKKGHJ-CQSZACIVSA-N 1 0 348.399 2.710 20 5 EFBDRO COc1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000378157688 152021291 /nfs/dbraw/zinc/02/12/91/152021291.db2.gz ILKYPCZJFJKYTI-HUUCEWRRSA-N 1 0 335.404 2.659 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000378190620 152028469 /nfs/dbraw/zinc/02/84/69/152028469.db2.gz OYEQOXYFIKDIQF-FUCXHRTASA-N 1 0 346.431 2.658 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302889 152051575 /nfs/dbraw/zinc/05/15/75/152051575.db2.gz AYEAMJAVIHXXPM-IRXDYDNUSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302887 152051936 /nfs/dbraw/zinc/05/19/36/152051936.db2.gz AYEAMJAVIHXXPM-IAGOWNOFSA-N 1 0 339.395 2.731 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000378602582 152124730 /nfs/dbraw/zinc/12/47/30/152124730.db2.gz XRMIMTZPEWEQJI-KBOKABMXSA-N 1 0 339.395 2.934 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408099415 152151426 /nfs/dbraw/zinc/15/14/26/152151426.db2.gz LOMAVDYJVXTFSZ-IHRRRGAJSA-N 1 0 335.452 2.732 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177533939 286729463 /nfs/dbraw/zinc/72/94/63/286729463.db2.gz XFBQOQCRWLLIAU-VXGBXAGGSA-N 1 0 337.445 2.919 20 5 EFBDRO CC[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181126782 286901196 /nfs/dbraw/zinc/90/11/96/286901196.db2.gz MYJACNVCKDLNPF-AVVWSFFYSA-N 1 0 340.445 2.991 20 5 EFBDRO CC[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000245516341 287207554 /nfs/dbraw/zinc/20/75/54/287207554.db2.gz FUVLGVOVVQUHBN-HRCADAONSA-N 1 0 335.448 2.741 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000160180665 225354485 /nfs/dbraw/zinc/35/44/85/225354485.db2.gz MKGZBOVJJCNDQZ-NWDGAFQWSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000122156676 222025361 /nfs/dbraw/zinc/02/53/61/222025361.db2.gz PDVNJEULZIUHHN-SGMGOOAPSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000122156461 222025759 /nfs/dbraw/zinc/02/57/59/222025759.db2.gz PDVNJEULZIUHHN-MBNYWOFBSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000122156286 222025770 /nfs/dbraw/zinc/02/57/70/222025770.db2.gz PDVNJEULZIUHHN-OBJOEFQTSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123261726 222245334 /nfs/dbraw/zinc/24/53/34/222245334.db2.gz ADFKURNZSKEWTC-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000123295438 222251484 /nfs/dbraw/zinc/25/14/84/222251484.db2.gz FOGBIJDILJYRGA-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123495326 222287478 /nfs/dbraw/zinc/28/74/78/222287478.db2.gz SFVCLVLQHVFNSH-ZDUSSCGKSA-N 1 0 342.399 2.605 20 5 EFBDRO C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000123531213 222292744 /nfs/dbraw/zinc/29/27/44/222292744.db2.gz PNLLNEBWSBXCNE-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124141005 222381709 /nfs/dbraw/zinc/38/17/09/222381709.db2.gz GKROCJHOCNGWBF-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000125032055 222511762 /nfs/dbraw/zinc/51/17/62/222511762.db2.gz DIGHBXPMTHQKGR-YVEFUNNKSA-N 1 0 346.383 2.996 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000171844371 227312149 /nfs/dbraw/zinc/31/21/49/227312149.db2.gz OZQXKCPZGMNDRG-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)NCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000052522301 292639544 /nfs/dbraw/zinc/63/95/44/292639544.db2.gz CLDJVWWQLJEHJT-KSSFIOAISA-N 1 0 348.447 2.905 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000174670363 264806227 /nfs/dbraw/zinc/80/62/27/264806227.db2.gz LDNRTZORQHMGKW-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO CCOc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000184223908 265012663 /nfs/dbraw/zinc/01/26/63/265012663.db2.gz NZEIYKSBDFFYLX-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184545174 265019403 /nfs/dbraw/zinc/01/94/03/265019403.db2.gz ITBKQSOXYURWDK-UHFFFAOYSA-N 1 0 349.456 2.727 20 5 EFBDRO COc1cccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000185543616 265044171 /nfs/dbraw/zinc/04/41/71/265044171.db2.gz KMWQBRKKIRXYLE-ZIAGYGMSSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000185823505 265049305 /nfs/dbraw/zinc/04/93/05/265049305.db2.gz CRKJLHFSAIZRKA-JTQLQIEISA-N 1 0 340.811 2.530 20 5 EFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186421988 265067220 /nfs/dbraw/zinc/06/72/20/265067220.db2.gz XNNCGYGFLGYJRS-CYBMUJFWSA-N 1 0 335.404 2.941 20 5 EFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186420579 265067421 /nfs/dbraw/zinc/06/74/21/265067421.db2.gz XOYOVNMCHUPGPZ-AWEZNQCLSA-N 1 0 349.431 2.984 20 5 EFBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br ZINC000190290566 265218702 /nfs/dbraw/zinc/21/87/02/265218702.db2.gz HUAVWZCFAFQXDB-UHFFFAOYSA-N 1 0 331.214 2.530 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000194962112 265397294 /nfs/dbraw/zinc/39/72/94/265397294.db2.gz FJWILIPCZOUKQQ-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237707757 265461608 /nfs/dbraw/zinc/46/16/08/265461608.db2.gz OKPZSWLXAWGPDF-HUBLWGQQSA-N 1 0 337.445 2.661 20 5 EFBDRO Cc1c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560176 266008608 /nfs/dbraw/zinc/00/86/08/266008608.db2.gz WQJDJEZRXCIXPM-JVPBZIDWSA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560182 266008775 /nfs/dbraw/zinc/00/87/75/266008775.db2.gz WQJDJEZRXCIXPM-ZOCIIQOWSA-N 1 0 347.459 2.932 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000271586336 266014167 /nfs/dbraw/zinc/01/41/67/266014167.db2.gz RTMHMYGYRCYBIV-MCIONIFRSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000271626405 266026105 /nfs/dbraw/zinc/02/61/05/266026105.db2.gz DRQSYTBPGLSSGQ-JTQLQIEISA-N 1 0 339.193 2.905 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000271810256 266066294 /nfs/dbraw/zinc/06/62/94/266066294.db2.gz MYDLLUKLTWUKOS-NSHDSACASA-N 1 0 325.434 2.567 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272174108 266178130 /nfs/dbraw/zinc/17/81/30/266178130.db2.gz CIMQTUJFRRFTPI-JQWIXIFHSA-N 1 0 346.412 2.528 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272266636 266210455 /nfs/dbraw/zinc/21/04/55/266210455.db2.gz BVTLUTJEBOJOKR-UHFFFAOYSA-N 1 0 343.374 2.925 20 5 EFBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312610 266226256 /nfs/dbraw/zinc/22/62/56/266226256.db2.gz SASSYCXKNWSDLD-ZFWWWQNUSA-N 1 0 329.404 2.651 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272317815 266227633 /nfs/dbraw/zinc/22/76/33/266227633.db2.gz JEMSYSHPHNBULQ-CQSZACIVSA-N 1 0 341.358 2.629 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCCCC1 ZINC000272353930 266239710 /nfs/dbraw/zinc/23/97/10/266239710.db2.gz BDTNPPLYNCOUOO-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272416659 266259067 /nfs/dbraw/zinc/25/90/67/266259067.db2.gz AQJUZUUPLVDTPB-JJRVBVJISA-N 1 0 346.431 2.700 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000272487895 266280423 /nfs/dbraw/zinc/28/04/23/266280423.db2.gz DGTMDPLEAVTPKN-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272512193 266289642 /nfs/dbraw/zinc/28/96/42/266289642.db2.gz KHAURDRLVAYHCC-GFCCVEGCSA-N 1 0 341.358 2.677 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000272538072 266300366 /nfs/dbraw/zinc/30/03/66/266300366.db2.gz ONECYCOMZBAPMO-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547083 266303605 /nfs/dbraw/zinc/30/36/05/266303605.db2.gz QLMOLQYCJLDMTB-RHSMWYFYSA-N 1 0 345.447 2.738 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272574917 266312633 /nfs/dbraw/zinc/31/26/33/266312633.db2.gz WWPNUEGCZWJXJN-INIZCTEOSA-N 1 0 344.415 2.824 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000272579130 266313861 /nfs/dbraw/zinc/31/38/61/266313861.db2.gz GOCWKZPHDWLEGK-SMDDNHRTSA-N 1 0 345.424 2.976 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1(C(=O)OC)CCC1 ZINC000272608082 266324577 /nfs/dbraw/zinc/32/45/77/266324577.db2.gz YURPTJWYMYAFNK-OAHLLOKOSA-N 1 0 336.388 2.815 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272627046 266332722 /nfs/dbraw/zinc/33/27/22/266332722.db2.gz ZEOPGUATOPJHCC-LLVKDONJSA-N 1 0 329.347 2.533 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272724893 266364980 /nfs/dbraw/zinc/36/49/80/266364980.db2.gz JQVSEYZPDWXTLL-CHWSQXEVSA-N 1 0 332.404 2.605 20 5 EFBDRO CNC(=O)c1ccc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000273237014 266470334 /nfs/dbraw/zinc/47/03/34/266470334.db2.gz WVLAHUJITWGWCK-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448338 266500775 /nfs/dbraw/zinc/50/07/75/266500775.db2.gz XOFCCVYVLHTWDP-XJKSGUPXSA-N 1 0 327.384 2.650 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273545221 266516785 /nfs/dbraw/zinc/51/67/85/266516785.db2.gz UNKISNZTVXEPJI-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000273826890 266560140 /nfs/dbraw/zinc/56/01/40/266560140.db2.gz GPRYNARPXHPLHA-CYBMUJFWSA-N 1 0 337.395 2.564 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107693488 273008081 /nfs/dbraw/zinc/00/80/81/273008081.db2.gz PPJOFJJOSFBKFD-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000276506527 267002500 /nfs/dbraw/zinc/00/25/00/267002500.db2.gz YWFHSNRPHZMHAK-AWEZNQCLSA-N 1 0 349.431 2.857 20 5 EFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000276555146 267012179 /nfs/dbraw/zinc/01/21/79/267012179.db2.gz FVISXRZOKWATIU-KRWDZBQOSA-N 1 0 330.384 2.989 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000276561817 267013572 /nfs/dbraw/zinc/01/35/72/267013572.db2.gz ZQHMWBRFMQRVBT-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276667348 267031854 /nfs/dbraw/zinc/03/18/54/267031854.db2.gz CPJPVXRPPDYWMW-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO COc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276762663 267044023 /nfs/dbraw/zinc/04/40/23/267044023.db2.gz GHBLAPBFQALWOX-CYBMUJFWSA-N 1 0 349.431 2.714 20 5 EFBDRO CCOc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000276870486 267066001 /nfs/dbraw/zinc/06/60/01/267066001.db2.gz HNJKDRIWFRYMDZ-INIZCTEOSA-N 1 0 333.432 2.911 20 5 EFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276908898 267073560 /nfs/dbraw/zinc/07/35/60/267073560.db2.gz NBMSHWNUWGJOCX-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276940784 267081981 /nfs/dbraw/zinc/08/19/81/267081981.db2.gz JVOQZVFDDTZHHE-OCCSQVGLSA-N 1 0 341.795 2.734 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000277175889 267124796 /nfs/dbraw/zinc/12/47/96/267124796.db2.gz KYTRCVPVFBCADF-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000277320874 267154440 /nfs/dbraw/zinc/15/44/40/267154440.db2.gz QVGDFDCAWYVIJZ-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277333017 267158719 /nfs/dbraw/zinc/15/87/19/267158719.db2.gz RWVDCIWMBNLBDZ-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCCC2)ncn1 ZINC000277346586 267160968 /nfs/dbraw/zinc/16/09/68/267160968.db2.gz GASJPDRSTYVJFV-UHFFFAOYSA-N 1 0 329.360 2.606 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000277388351 267169442 /nfs/dbraw/zinc/16/94/42/267169442.db2.gz XEFGZOICZQLSLY-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000277510740 267189320 /nfs/dbraw/zinc/18/93/20/267189320.db2.gz ACMAUKBKEAVJCW-LDYMZIIASA-N 1 0 330.310 2.903 20 5 EFBDRO CCNC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000277547277 267194835 /nfs/dbraw/zinc/19/48/35/267194835.db2.gz ZRYASDISCOLUOA-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000277581160 267203365 /nfs/dbraw/zinc/20/33/65/267203365.db2.gz MHKGHRINAIKEEC-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000277611504 267211352 /nfs/dbraw/zinc/21/13/52/267211352.db2.gz PXURWLPWSPMYDI-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H]1C[N@H+](CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000277713166 267241116 /nfs/dbraw/zinc/24/11/16/267241116.db2.gz ITVQSGPEDSYLOE-ZDUSSCGKSA-N 1 0 341.839 2.839 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277795502 267265626 /nfs/dbraw/zinc/26/56/26/267265626.db2.gz OYTOHHKMEGWSQS-QGZVFWFLSA-N 1 0 346.387 2.772 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000277859129 267282216 /nfs/dbraw/zinc/28/22/16/267282216.db2.gz NXONZPVNAXXKHD-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277972979 267312465 /nfs/dbraw/zinc/31/24/65/267312465.db2.gz QEFAOKUZYCBVOT-INIZCTEOSA-N 1 0 331.416 2.579 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000278156542 267355880 /nfs/dbraw/zinc/35/58/80/267355880.db2.gz TWIXMYAVMKTIEP-BXUZGUMPSA-N 1 0 330.344 2.571 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000278189729 267365596 /nfs/dbraw/zinc/36/55/96/267365596.db2.gz HVEGINUHTYMXTO-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000278544461 267475395 /nfs/dbraw/zinc/47/53/95/267475395.db2.gz YACHZBAUDUFBHK-CYBMUJFWSA-N 1 0 349.822 2.740 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000278829811 267572060 /nfs/dbraw/zinc/57/20/60/267572060.db2.gz VDIFWQDNEZOYOD-LSDHHAIUSA-N 1 0 349.456 2.555 20 5 EFBDRO CS[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000278829795 267573229 /nfs/dbraw/zinc/57/32/29/267573229.db2.gz VDIFWQDNEZOYOD-CABCVRRESA-N 1 0 349.456 2.555 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175648511 273030094 /nfs/dbraw/zinc/03/00/94/273030094.db2.gz MTFVYOJTPZOLPW-AWEZNQCLSA-N 1 0 334.420 2.749 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176140583 273031674 /nfs/dbraw/zinc/03/16/74/273031674.db2.gz CTVRLAPDWVUYFY-ZDUSSCGKSA-N 1 0 334.420 2.605 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184583545 273049357 /nfs/dbraw/zinc/04/93/57/273049357.db2.gz BPHUAMUFQJWYQJ-NSHDSACASA-N 1 0 342.827 2.778 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000269641630 273086821 /nfs/dbraw/zinc/08/68/21/273086821.db2.gz JXJIVTNGHJZFBA-HNNXBMFYSA-N 1 0 337.420 2.571 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000269642206 273086985 /nfs/dbraw/zinc/08/69/85/273086985.db2.gz JSRNQHOTULLMKC-BHYGNILZSA-N 1 0 346.383 2.809 20 5 EFBDRO C[N@H+](CCOc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269666912 273087999 /nfs/dbraw/zinc/08/79/99/273087999.db2.gz MJWUIMIWQICBHY-MRXNPFEDSA-N 1 0 334.347 2.778 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269739779 273089823 /nfs/dbraw/zinc/08/98/23/273089823.db2.gz WRJSYXXOSYPRIL-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269740923 273089988 /nfs/dbraw/zinc/08/99/88/273089988.db2.gz YZDXSIIMCGGJBN-RHSMWYFYSA-N 1 0 343.427 2.992 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)NC ZINC000271119844 273099321 /nfs/dbraw/zinc/09/93/21/273099321.db2.gz JGYSXVRCNZXTNH-GFCCVEGCSA-N 1 0 325.434 2.581 20 5 EFBDRO CCOc1ccc([C@@H](C)NCCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000271117547 273099006 /nfs/dbraw/zinc/09/90/06/273099006.db2.gz IPQWYQZICZFCHY-CQSZACIVSA-N 1 0 339.436 2.612 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(C)=O ZINC000271117647 273099079 /nfs/dbraw/zinc/09/90/79/273099079.db2.gz ITDLLLWEWVEADG-ZDUSSCGKSA-N 1 0 325.434 2.581 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273638701 273116022 /nfs/dbraw/zinc/11/60/22/273116022.db2.gz UFDQREVPNDGJAU-SGWXJNRHSA-N 1 0 332.400 2.924 20 5 EFBDRO CC[NH+](CC)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000273670418 273117674 /nfs/dbraw/zinc/11/76/74/273117674.db2.gz XNFBHYCIVJQYHG-UHFFFAOYSA-N 1 0 345.403 2.718 20 5 EFBDRO CC[N@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273814035 273120456 /nfs/dbraw/zinc/12/04/56/273120456.db2.gz BHPQOOMKSNPGJL-UHFFFAOYSA-N 1 0 337.395 2.612 20 5 EFBDRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000274308305 273131559 /nfs/dbraw/zinc/13/15/59/273131559.db2.gz SSBZUCNVKAIXIV-GJZGRUSLSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276737436 273142031 /nfs/dbraw/zinc/14/20/31/273142031.db2.gz YZLHPTBASAFHNO-YDHLFZDLSA-N 1 0 329.404 2.785 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000277137736 273147929 /nfs/dbraw/zinc/14/79/29/273147929.db2.gz HDTYSXYPSYRJIN-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000277066265 273145438 /nfs/dbraw/zinc/14/54/38/273145438.db2.gz KSBZZNBRRMBURI-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000277282122 273151473 /nfs/dbraw/zinc/15/14/73/273151473.db2.gz NLJIGGPEOBZTNI-AWEZNQCLSA-N 1 0 344.415 2.561 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277316410 273152061 /nfs/dbraw/zinc/15/20/61/273152061.db2.gz QMJMPQGAKWPAAS-CYBMUJFWSA-N 1 0 331.372 2.897 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCCN2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279119330 273178759 /nfs/dbraw/zinc/17/87/59/273178759.db2.gz PZDQBSHPQHYYIQ-HNNXBMFYSA-N 1 0 333.388 2.749 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219805 273189843 /nfs/dbraw/zinc/18/98/43/273189843.db2.gz HWLHHBYLNQPPEN-SLEUVZQESA-N 1 0 346.387 2.847 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279389433 273210008 /nfs/dbraw/zinc/21/00/08/273210008.db2.gz UDZMUMGBPIDFCJ-CXAGYDPISA-N 1 0 347.415 2.731 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279632024 273236233 /nfs/dbraw/zinc/23/62/33/273236233.db2.gz ZHBRHQJFURJURQ-CYBMUJFWSA-N 1 0 345.399 2.851 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279695305 273243231 /nfs/dbraw/zinc/24/32/31/273243231.db2.gz GLRHRTHTQGXDFH-TZMCWYRMSA-N 1 0 346.387 2.770 20 5 EFBDRO CC(C)(C)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000279766363 273251036 /nfs/dbraw/zinc/25/10/36/273251036.db2.gz MRCPQMOLBSLCPX-OAHLLOKOSA-N 1 0 335.404 2.670 20 5 EFBDRO CC1(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000279814008 273256338 /nfs/dbraw/zinc/25/63/38/273256338.db2.gz XYONOGXXTCLFQS-CQSZACIVSA-N 1 0 340.445 2.552 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280154491 273296848 /nfs/dbraw/zinc/29/68/48/273296848.db2.gz RVIZQHLYTRBVKA-LBPRGKRZSA-N 1 0 332.429 2.838 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000280157451 273297159 /nfs/dbraw/zinc/29/71/59/273297159.db2.gz CRGQJHHFAGFVCN-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280258012 273308348 /nfs/dbraw/zinc/30/83/48/273308348.db2.gz LQPAJQOAHCHNPQ-KRWDZBQOSA-N 1 0 329.356 2.552 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280511573 273335827 /nfs/dbraw/zinc/33/58/27/273335827.db2.gz JWAYLJKVRRFLJC-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280519056 273336471 /nfs/dbraw/zinc/33/64/71/273336471.db2.gz NZXDFKYMXNKCQW-KRWDZBQOSA-N 1 0 327.384 2.686 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536571 273338398 /nfs/dbraw/zinc/33/83/98/273338398.db2.gz PKJBSBGRTAQIMK-CXAGYDPISA-N 1 0 335.404 2.813 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000280604878 273346026 /nfs/dbraw/zinc/34/60/26/273346026.db2.gz OITDCCKTFNAGJW-MDZLAQPJSA-N 1 0 346.387 2.539 20 5 EFBDRO CCC(=O)c1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000280659997 273352471 /nfs/dbraw/zinc/35/24/71/273352471.db2.gz GPJAPLPIYAUCMR-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C)=C(C)C1 ZINC000280750287 273362873 /nfs/dbraw/zinc/36/28/73/273362873.db2.gz NHUAHOWTEDFKAG-UHFFFAOYSA-N 1 0 333.388 2.974 20 5 EFBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000280798679 273368070 /nfs/dbraw/zinc/36/80/70/273368070.db2.gz YAHKWIKWGFFRHY-CQSZACIVSA-N 1 0 347.419 2.908 20 5 EFBDRO C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000280904235 273379417 /nfs/dbraw/zinc/37/94/17/273379417.db2.gz FCGUVMXTBLZMBX-AWEZNQCLSA-N 1 0 334.420 2.783 20 5 EFBDRO C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000280904240 273379465 /nfs/dbraw/zinc/37/94/65/273379465.db2.gz FCGUVMXTBLZMBX-CQSZACIVSA-N 1 0 334.420 2.783 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280996626 273389641 /nfs/dbraw/zinc/38/96/41/273389641.db2.gz NILPMYAIFCLBPT-RDTXWAMCSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280996623 273389649 /nfs/dbraw/zinc/38/96/49/273389649.db2.gz NILPMYAIFCLBPT-KDOFPFPSSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280996625 273389682 /nfs/dbraw/zinc/38/96/82/273389682.db2.gz NILPMYAIFCLBPT-KSSFIOAISA-N 1 0 331.416 2.820 20 5 EFBDRO C[NH+](C)CC1(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000281448433 273436283 /nfs/dbraw/zinc/43/62/83/273436283.db2.gz SHTZMDHTSVGECM-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281928962 273489098 /nfs/dbraw/zinc/48/90/98/273489098.db2.gz AWDJZJBSHGUPKL-CYBMUJFWSA-N 1 0 335.404 2.718 20 5 EFBDRO CC(C)C[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436258582 273513447 /nfs/dbraw/zinc/51/34/47/273513447.db2.gz IEIDSHXLPFLHOH-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236670666 273517989 /nfs/dbraw/zinc/51/79/89/273517989.db2.gz KMLKQQHQSRDZEX-HNNXBMFYSA-N 1 0 325.434 2.567 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282178679 273524950 /nfs/dbraw/zinc/52/49/50/273524950.db2.gz FMBSBKFLVSLWTR-WXQIDZRNSA-N 1 0 336.457 2.807 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282178675 273524951 /nfs/dbraw/zinc/52/49/51/273524951.db2.gz FMBSBKFLVSLWTR-NHBFPYQTSA-N 1 0 336.457 2.807 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282218434 273530981 /nfs/dbraw/zinc/53/09/81/273530981.db2.gz JXHJUTWJXLQJNO-CYBMUJFWSA-N 1 0 339.823 2.797 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000282307173 273543836 /nfs/dbraw/zinc/54/38/36/273543836.db2.gz XXVRMFPBNDKYQF-UHFFFAOYSA-N 1 0 332.429 2.603 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000081941414 273638050 /nfs/dbraw/zinc/63/80/50/273638050.db2.gz IDHJXMJODZXQMB-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000283106611 273669781 /nfs/dbraw/zinc/66/97/81/273669781.db2.gz MEJMYPKOWPWBAR-HZPDHXFCSA-N 1 0 339.436 2.746 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000283396745 273710472 /nfs/dbraw/zinc/71/04/72/273710472.db2.gz GWDMRYFMFDRUOQ-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284018923 273787103 /nfs/dbraw/zinc/78/71/03/273787103.db2.gz IRNDSBIDWOHZHV-GTNSWQLSSA-N 1 0 331.372 2.570 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000375933903 273807242 /nfs/dbraw/zinc/80/72/42/273807242.db2.gz PZKCKIDRYGEVTH-LLVKDONJSA-N 1 0 343.225 2.673 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344285459 273820247 /nfs/dbraw/zinc/82/02/47/273820247.db2.gz RMBGMLYZSILYIS-INIZCTEOSA-N 1 0 343.358 2.867 20 5 EFBDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285168397 273953986 /nfs/dbraw/zinc/95/39/86/273953986.db2.gz MUUILENUSLUNAX-QMMMGPOBSA-N 1 0 339.289 2.745 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000285195334 273958707 /nfs/dbraw/zinc/95/87/07/273958707.db2.gz NXMBNCOPDINVQY-LLVKDONJSA-N 1 0 330.344 2.979 20 5 EFBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000285365995 273986523 /nfs/dbraw/zinc/98/65/23/273986523.db2.gz AQTLLUCOFFVLTE-HNNXBMFYSA-N 1 0 341.795 2.736 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285440268 274000134 /nfs/dbraw/zinc/00/01/34/274000134.db2.gz XNACODUAHQNXLL-MRXNPFEDSA-N 1 0 344.367 2.717 20 5 EFBDRO CCC[C@]1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000285496171 274011694 /nfs/dbraw/zinc/01/16/94/274011694.db2.gz JARVLPYIXYYOTF-KRWDZBQOSA-N 1 0 335.404 2.781 20 5 EFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000285545715 274022380 /nfs/dbraw/zinc/02/23/80/274022380.db2.gz QHUGTZYIJFDZBY-KRWDZBQOSA-N 1 0 346.383 2.695 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285617823 274038831 /nfs/dbraw/zinc/03/88/31/274038831.db2.gz WGUSRGAGMZTARD-GHMZBOCLSA-N 1 0 330.331 2.958 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285624590 274040305 /nfs/dbraw/zinc/04/03/05/274040305.db2.gz KNIOSLJWPCZQFH-WCQYABFASA-N 1 0 336.367 2.824 20 5 EFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285660438 274047751 /nfs/dbraw/zinc/04/77/51/274047751.db2.gz ZBFIXWOYBJVKBR-FOSCPWQOSA-N 1 0 325.359 2.930 20 5 EFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000285696525 274055440 /nfs/dbraw/zinc/05/54/40/274055440.db2.gz HIGQKNKUGWUFMW-HNNXBMFYSA-N 1 0 343.387 2.817 20 5 EFBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801248 274077639 /nfs/dbraw/zinc/07/76/39/274077639.db2.gz FUQNZCRCPJUHEE-SWLSCSKDSA-N 1 0 339.823 2.543 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285825276 274081941 /nfs/dbraw/zinc/08/19/41/274081941.db2.gz GWYXZAVYLPOPER-UHFFFAOYSA-N 1 0 349.431 2.769 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000285873408 274091465 /nfs/dbraw/zinc/09/14/65/274091465.db2.gz QLCDMJLUNVWRKP-RHSMWYFYSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000285873406 274091537 /nfs/dbraw/zinc/09/15/37/274091537.db2.gz QLCDMJLUNVWRKP-PBHICJAKSA-N 1 0 331.416 2.613 20 5 EFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000285890773 274095034 /nfs/dbraw/zinc/09/50/34/274095034.db2.gz CLCKVVBFNLCFFQ-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000285912734 274099080 /nfs/dbraw/zinc/09/90/80/274099080.db2.gz SKJPNFFTJLFTNG-MOIGAOQCSA-N 1 0 329.400 2.693 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCC[C@H]3CCO)o2)c1 ZINC000285959039 274107235 /nfs/dbraw/zinc/10/72/35/274107235.db2.gz DFZBIVCYJPFJSI-BBRMVZONSA-N 1 0 345.399 2.933 20 5 EFBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286040648 274121984 /nfs/dbraw/zinc/12/19/84/274121984.db2.gz ABQGWGCZOFNMAC-NUUMQCRXSA-N 1 0 329.400 2.692 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000286089225 274131468 /nfs/dbraw/zinc/13/14/68/274131468.db2.gz NCQLIYXVFOCWBJ-MCYUEQNJSA-N 1 0 337.445 2.578 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091555 274131501 /nfs/dbraw/zinc/13/15/01/274131501.db2.gz SVRTUASDAQWTOF-KBPBESRZSA-N 1 0 335.404 2.549 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000286097603 274132892 /nfs/dbraw/zinc/13/28/92/274132892.db2.gz FANVISZVNAKYFL-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO CC(C)C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000286099938 274133496 /nfs/dbraw/zinc/13/34/96/274133496.db2.gz LCGJWQIPGGYICR-LBPRGKRZSA-N 1 0 333.392 2.632 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(C[NH+](C)C)CC1 ZINC000450261482 274140000 /nfs/dbraw/zinc/14/00/00/274140000.db2.gz OFJVQTCCMBZJMH-UHFFFAOYSA-N 1 0 344.415 2.930 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000286238335 274159825 /nfs/dbraw/zinc/15/98/25/274159825.db2.gz UQGYOHGKZOSZNQ-AWEZNQCLSA-N 1 0 332.404 2.513 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000286258638 274163916 /nfs/dbraw/zinc/16/39/16/274163916.db2.gz DHSUNYKZFCTMDI-MEDUHNTESA-N 1 0 325.359 2.789 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286325435 274178655 /nfs/dbraw/zinc/17/86/55/274178655.db2.gz WWJAANXRPUQNOM-GDBMZVCRSA-N 1 0 349.456 2.748 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286325212 274178682 /nfs/dbraw/zinc/17/86/82/274178682.db2.gz WTVLBXQKFYYXOL-WOSRLPQWSA-N 1 0 340.445 2.598 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000286409517 274195083 /nfs/dbraw/zinc/19/50/83/274195083.db2.gz LTWFXLITMAUFMY-LBPRGKRZSA-N 1 0 325.359 2.933 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286480230 274210306 /nfs/dbraw/zinc/21/03/06/274210306.db2.gz WOXSOLZKJARQCV-MNOVXSKESA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000188486785 274217656 /nfs/dbraw/zinc/21/76/56/274217656.db2.gz FRKKKYIABXSEIP-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000449165761 274231120 /nfs/dbraw/zinc/23/11/20/274231120.db2.gz ATEYPLINVBXMKY-STQMWFEESA-N 1 0 329.404 2.804 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286588462 274231274 /nfs/dbraw/zinc/23/12/74/274231274.db2.gz YUEJCKPMQBKUEN-IUODEOHRSA-N 1 0 344.415 2.543 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccn1 ZINC000130186447 274246327 /nfs/dbraw/zinc/24/63/27/274246327.db2.gz GZQVZNAMKFJGJP-LLVKDONJSA-N 1 0 332.335 2.808 20 5 EFBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000286677893 274249663 /nfs/dbraw/zinc/24/96/63/274249663.db2.gz CCMRXWRZWIQPSI-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286747110 274264715 /nfs/dbraw/zinc/26/47/15/274264715.db2.gz CZEMUGQUFWAXPL-KEYYUXOJSA-N 1 0 346.431 2.924 20 5 EFBDRO C[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286752085 274265712 /nfs/dbraw/zinc/26/57/12/274265712.db2.gz OQBYRHVNTOROHZ-MRXNPFEDSA-N 1 0 326.400 2.540 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286757261 274267324 /nfs/dbraw/zinc/26/73/24/274267324.db2.gz FQBXXMFVAJHZLD-DOMZBBRYSA-N 1 0 337.395 2.801 20 5 EFBDRO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000286800292 274275523 /nfs/dbraw/zinc/27/55/23/274275523.db2.gz AMCDUPMDITWISO-YIONKMFJSA-N 1 0 332.404 2.992 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192629727 274287067 /nfs/dbraw/zinc/28/70/67/274287067.db2.gz JLGBTXJUOUJHEK-CJNGLKHVSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000286860291 274288281 /nfs/dbraw/zinc/28/82/81/274288281.db2.gz HCYHCVSZBQWOGP-JTQLQIEISA-N 1 0 333.373 2.907 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccco1 ZINC000286860296 274288306 /nfs/dbraw/zinc/28/83/06/274288306.db2.gz HCYHCVSZBQWOGP-SNVBAGLBSA-N 1 0 333.373 2.907 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000248592458 274295967 /nfs/dbraw/zinc/29/59/67/274295967.db2.gz RRCRPPFSLSTYRY-MCBXIFIFSA-N 1 0 331.416 2.898 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286926252 274302298 /nfs/dbraw/zinc/30/22/98/274302298.db2.gz LDSZADVGJUBYOT-GXTWGEPZSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286930943 274303411 /nfs/dbraw/zinc/30/34/11/274303411.db2.gz DSRAWHCILQDWKM-PBHICJAKSA-N 1 0 331.416 2.531 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286940597 274305746 /nfs/dbraw/zinc/30/57/46/274305746.db2.gz NVIOMUVWEXAZDB-DOMZBBRYSA-N 1 0 334.376 2.562 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286988800 274316244 /nfs/dbraw/zinc/31/62/44/274316244.db2.gz QIRJWQXZUGZLKC-ZBEGNZNMSA-N 1 0 325.359 2.932 20 5 EFBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCC1 ZINC000287044507 274328800 /nfs/dbraw/zinc/32/88/00/274328800.db2.gz RMYODERTQDKIJY-UHFFFAOYSA-N 1 0 345.403 2.920 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268184919 274342509 /nfs/dbraw/zinc/34/25/09/274342509.db2.gz MBESBCVKBJIPNQ-YGRLFVJLSA-N 1 0 329.356 2.554 20 5 EFBDRO CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000287107542 274344437 /nfs/dbraw/zinc/34/44/37/274344437.db2.gz ZLOBGVCQSWODIC-KBPBESRZSA-N 1 0 325.409 2.750 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000287149209 274354256 /nfs/dbraw/zinc/35/42/56/274354256.db2.gz SQXUQCYHTNJIPH-CJNGLKHVSA-N 1 0 340.445 2.850 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287173761 274360228 /nfs/dbraw/zinc/36/02/28/274360228.db2.gz OHWYGGBJJJOBEI-NHYWBVRUSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287194262 274364852 /nfs/dbraw/zinc/36/48/52/274364852.db2.gz PDBYDQBDEVTQIC-RHSMWYFYSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000449942137 274391347 /nfs/dbraw/zinc/39/13/47/274391347.db2.gz RVYXYIHVGROIBC-KOLCDFICSA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000287495635 274432486 /nfs/dbraw/zinc/43/24/86/274432486.db2.gz NMVBWAQSXBXQJE-HOCLYGCPSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccn1 ZINC000361146170 274512513 /nfs/dbraw/zinc/51/25/13/274512513.db2.gz AMOGBJFACZWZFO-LBPRGKRZSA-N 1 0 342.355 2.639 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000288156717 274537761 /nfs/dbraw/zinc/53/77/61/274537761.db2.gz OWPYSVLYUWUWHG-ZDUSSCGKSA-N 1 0 333.392 2.962 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000288419644 274589411 /nfs/dbraw/zinc/58/94/11/274589411.db2.gz NSFNJYVXRYVARB-AWEZNQCLSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288560591 274618288 /nfs/dbraw/zinc/61/82/88/274618288.db2.gz WFCIUTILTCCGQD-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288560600 274618365 /nfs/dbraw/zinc/61/83/65/274618365.db2.gz WFCIUTILTCCGQD-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCC[NH+]1CCCCC1 ZINC000288602899 274627786 /nfs/dbraw/zinc/62/77/86/274627786.db2.gz MWVNSTMPSMZEKH-UHFFFAOYSA-N 1 0 342.399 2.695 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289327983 274741743 /nfs/dbraw/zinc/74/17/43/274741743.db2.gz VIHWNSVOJIPHRB-JOCQHMNTSA-N 1 0 337.445 2.568 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000289765637 274818385 /nfs/dbraw/zinc/81/83/85/274818385.db2.gz KXKLEQUTPNJSKF-UHFFFAOYSA-N 1 0 332.404 2.717 20 5 EFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000375717200 274893159 /nfs/dbraw/zinc/89/31/59/274893159.db2.gz DEVRJAZTOLMQAR-KSSFIOAISA-N 1 0 341.415 2.574 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000367203079 275020873 /nfs/dbraw/zinc/02/08/73/275020873.db2.gz BPZFEAPNFGLJHF-IXDOHACOSA-N 1 0 329.400 2.715 20 5 EFBDRO O=C1[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177530279 275030548 /nfs/dbraw/zinc/03/05/48/275030548.db2.gz JAEBRDDKCYYILM-JKIFEVAISA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000048346394 275032921 /nfs/dbraw/zinc/03/29/21/275032921.db2.gz JIAQRIFDNQWXLS-UHFFFAOYSA-N 1 0 340.221 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000268807270 275035178 /nfs/dbraw/zinc/03/51/78/275035178.db2.gz LCEXQGHYUZDVGS-GFCCVEGCSA-N 1 0 338.205 2.808 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250784943 275041344 /nfs/dbraw/zinc/04/13/44/275041344.db2.gz URMPQGFYNQNANR-UWVGGRQHSA-N 1 0 341.209 2.791 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136161875 275890727 /nfs/dbraw/zinc/89/07/27/275890727.db2.gz WNTFEJULGGYXDQ-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093770742 276074523 /nfs/dbraw/zinc/07/45/23/276074523.db2.gz CFJJYXOZHDCRTD-GFCCVEGCSA-N 1 0 343.374 2.970 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173007797 276099416 /nfs/dbraw/zinc/09/94/16/276099416.db2.gz MJOSJQKTOSAXLE-UHFFFAOYSA-N 1 0 333.310 2.685 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347409655 276106675 /nfs/dbraw/zinc/10/66/75/276106675.db2.gz CXWYNLDBJPBSTI-ZDUSSCGKSA-N 1 0 329.404 2.706 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000172786401 276109856 /nfs/dbraw/zinc/10/98/56/276109856.db2.gz YKBDDLVMEBMEOH-CYBMUJFWSA-N 1 0 346.431 2.648 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c2cc([N+](=O)[O-])ccc21 ZINC000453331966 276143107 /nfs/dbraw/zinc/14/31/07/276143107.db2.gz HZCHDRKDEXECKF-RVKKMQEKSA-N 1 0 345.443 2.770 20 5 EFBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531652 276157735 /nfs/dbraw/zinc/15/77/35/276157735.db2.gz SCBCXZMELHOREX-OAGGEKHMSA-N 1 0 335.452 2.739 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000152888831 276325927 /nfs/dbraw/zinc/32/59/27/276325927.db2.gz YEFZCAIDTCJQOG-ZDUSSCGKSA-N 1 0 336.436 2.877 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422828734 276381915 /nfs/dbraw/zinc/38/19/15/276381915.db2.gz GPPBKVLHAQFGMQ-ZDUSSCGKSA-N 1 0 335.404 2.631 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000192513914 276722217 /nfs/dbraw/zinc/72/22/17/276722217.db2.gz ITTFGCMCOUKGPS-AWEZNQCLSA-N 1 0 335.383 2.974 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003444734 276854023 /nfs/dbraw/zinc/85/40/23/276854023.db2.gz UZYWUDBJEZPKHL-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000268850820 277153099 /nfs/dbraw/zinc/15/30/99/277153099.db2.gz XXNACVZPOWPMKV-JTQLQIEISA-N 1 0 341.795 2.565 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000246261803 277181506 /nfs/dbraw/zinc/18/15/06/277181506.db2.gz LBUZLMRJUXIPHA-AAEUAGOBSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH2+]CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000063166358 277265119 /nfs/dbraw/zinc/26/51/19/277265119.db2.gz NJKLVVUYQANECL-UHFFFAOYSA-N 1 0 328.210 2.793 20 5 EFBDRO CON1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421398686 277274275 /nfs/dbraw/zinc/27/42/75/277274275.db2.gz OLFGFNIEYFTVHO-YOEHRIQHSA-N 1 0 333.432 2.921 20 5 EFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897778 277359424 /nfs/dbraw/zinc/35/94/24/277359424.db2.gz DSIIUQMKZAENFD-CRAIPNDOSA-N 1 0 349.431 2.693 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000132485962 277440403 /nfs/dbraw/zinc/44/04/03/277440403.db2.gz ANPJHUBEQCFRIJ-LBPRGKRZSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000264957299 277563084 /nfs/dbraw/zinc/56/30/84/277563084.db2.gz YZWMXUYFUNNDIU-RYUDHWBXSA-N 1 0 325.434 2.532 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000337845145 278037547 /nfs/dbraw/zinc/03/75/47/278037547.db2.gz HLUUYQBKRZSFTE-HZPDHXFCSA-N 1 0 331.416 2.961 20 5 EFBDRO CS(=O)(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181793885 278107575 /nfs/dbraw/zinc/10/75/75/278107575.db2.gz VBWSROIZIQCPKQ-KRWDZBQOSA-N 1 0 348.424 2.513 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1[NH+](C)C ZINC000413211925 278157110 /nfs/dbraw/zinc/15/71/10/278157110.db2.gz QLZHUTPCUXSSCQ-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529345 278271280 /nfs/dbraw/zinc/27/12/80/278271280.db2.gz QMZUMDMIPLJPPB-GXFFZTMASA-N 1 0 345.321 2.799 20 5 EFBDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000126698306 278349087 /nfs/dbraw/zinc/34/90/87/278349087.db2.gz OLHRLMKGXRMMTN-CYBMUJFWSA-N 1 0 329.404 2.806 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358088707 278358134 /nfs/dbraw/zinc/35/81/34/278358134.db2.gz QIDIESDMHGIOMC-GFCCVEGCSA-N 1 0 349.412 2.817 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343502851 278367749 /nfs/dbraw/zinc/36/77/49/278367749.db2.gz KVNVLEPSTUSLGH-MLGOLLRUSA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000357314874 278571337 /nfs/dbraw/zinc/57/13/37/278571337.db2.gz ZFQWKZWXVPMITO-FCHSOHFDSA-N 1 0 333.413 2.926 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000449289733 278834715 /nfs/dbraw/zinc/83/47/15/278834715.db2.gz VBVZUGLCCNERIC-LSDHHAIUSA-N 1 0 348.447 2.729 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000134582972 278984859 /nfs/dbraw/zinc/98/48/59/278984859.db2.gz NSLYHGNXUDPAIQ-HNNXBMFYSA-N 1 0 346.431 2.711 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344770746 279115075 /nfs/dbraw/zinc/11/50/75/279115075.db2.gz LXGLRJUDZSCJBS-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000350704228 279181819 /nfs/dbraw/zinc/18/18/19/279181819.db2.gz WQUMPRPAVRAMHE-UHFFFAOYSA-N 1 0 329.404 2.850 20 5 EFBDRO C[C@H](CCN1CCOCC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589464 279264396 /nfs/dbraw/zinc/26/43/96/279264396.db2.gz XVFZUDDZWJYBAD-KDOFPFPSSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347834250 279304868 /nfs/dbraw/zinc/30/48/68/279304868.db2.gz QNNRLFVKUVJHRG-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000079966182 279345051 /nfs/dbraw/zinc/34/50/51/279345051.db2.gz CKDSBCBTUBIYMX-SECBINFHSA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C ZINC000449112431 279382338 /nfs/dbraw/zinc/38/23/38/279382338.db2.gz CIIJBTVFOGSZAX-RBSFLKMASA-N 1 0 333.432 2.905 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000449783037 279382534 /nfs/dbraw/zinc/38/25/34/279382534.db2.gz MULTVFITQQMMQW-UNEWFSDZSA-N 1 0 344.415 2.769 20 5 EFBDRO CCOC(CCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OCC ZINC000263651938 279648966 /nfs/dbraw/zinc/64/89/66/279648966.db2.gz DLPCGSZOQQYFFG-UHFFFAOYSA-N 1 0 342.392 2.578 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3C[NH+]3CCCC3)cc2N1 ZINC000189079414 280262256 /nfs/dbraw/zinc/26/22/56/280262256.db2.gz AMFYQGQXEHLLMH-CQSZACIVSA-N 1 0 344.415 2.544 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000071899488 280353813 /nfs/dbraw/zinc/35/38/13/280353813.db2.gz YVBANPRABCNQIW-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@H]4CCC[NH2+]4)CC3)c21 ZINC000420218617 280373461 /nfs/dbraw/zinc/37/34/61/280373461.db2.gz PLBAMXSOIQIFJT-CYBMUJFWSA-N 1 0 327.388 2.506 20 5 EFBDRO Cc1cc(N2CCN(c3ncc[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357658148 280560504 /nfs/dbraw/zinc/56/05/04/280560504.db2.gz HQAPMMMQXBLSQP-UHFFFAOYSA-N 1 0 338.371 2.501 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000262120481 280604943 /nfs/dbraw/zinc/60/49/43/280604943.db2.gz XGJLBCLBBLKMHJ-KRWDZBQOSA-N 1 0 343.431 2.598 20 5 EFBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000337254301 280762500 /nfs/dbraw/zinc/76/25/00/280762500.db2.gz QCVANDXCGRYMOR-UHFFFAOYSA-N 1 0 342.399 2.502 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000056465517 292658288 /nfs/dbraw/zinc/65/82/88/292658288.db2.gz OGQOCRXUSHMNJY-CQSZACIVSA-N 1 0 348.428 2.758 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004767 292660893 /nfs/dbraw/zinc/66/08/93/292660893.db2.gz UIIMVHOMNVAZIG-GJZGRUSLSA-N 1 0 348.447 2.762 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346126869 289043360 /nfs/dbraw/zinc/04/33/60/289043360.db2.gz GYVSKCUOEPKAQO-IUODEOHRSA-N 1 0 342.399 2.775 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000338048253 289374916 /nfs/dbraw/zinc/37/49/16/289374916.db2.gz TVVNISFQHAJHMF-CVEARBPZSA-N 1 0 348.447 2.652 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077570899 292766864 /nfs/dbraw/zinc/76/68/64/292766864.db2.gz TVTQMGOYOTUGLR-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000079693861 292792194 /nfs/dbraw/zinc/79/21/94/292792194.db2.gz JMHAZCRGIDHYII-CYBMUJFWSA-N 1 0 337.445 2.535 20 5 EFBDRO CC1CC[NH+](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080073214 292797977 /nfs/dbraw/zinc/79/79/77/292797977.db2.gz QOYIUHUKNIXAQT-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO CC(C)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000080063524 292798229 /nfs/dbraw/zinc/79/82/29/292798229.db2.gz NALMWXOUKVZWEU-UHFFFAOYSA-N 1 0 346.431 2.756 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117788832 292892446 /nfs/dbraw/zinc/89/24/46/292892446.db2.gz KYIRZLGLYHGNGO-CQSZACIVSA-N 1 0 339.823 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000124307968 292996372 /nfs/dbraw/zinc/99/63/72/292996372.db2.gz NKIWHVMHEYTXSL-GXFFZTMASA-N 1 0 330.331 2.837 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000129811532 293144469 /nfs/dbraw/zinc/14/44/69/293144469.db2.gz ULUOWEWKDQOHBB-HNNXBMFYSA-N 1 0 333.432 2.540 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000129811755 293144669 /nfs/dbraw/zinc/14/46/69/293144669.db2.gz ULUOWEWKDQOHBB-OAHLLOKOSA-N 1 0 333.432 2.540 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000130365874 293163009 /nfs/dbraw/zinc/16/30/09/293163009.db2.gz RIRSYQVUWVSECD-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000130368205 293163354 /nfs/dbraw/zinc/16/33/54/293163354.db2.gz FPDADWFUYDDANY-JSGCOSHPSA-N 1 0 346.431 2.754 20 5 EFBDRO C[C@H]1CCCN1C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130403043 293164713 /nfs/dbraw/zinc/16/47/13/293164713.db2.gz PFYPPQHPHWISQE-AWEZNQCLSA-N 1 0 331.416 2.960 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000131781731 293207896 /nfs/dbraw/zinc/20/78/96/293207896.db2.gz XEKGUYYNAUZSKC-HNNXBMFYSA-N 1 0 345.374 2.637 20 5 EFBDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000133235897 293250774 /nfs/dbraw/zinc/25/07/74/293250774.db2.gz YENDSIGMQXSZJM-MRXNPFEDSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159044640 293593672 /nfs/dbraw/zinc/59/36/72/293593672.db2.gz SNPCCUDWHDDWOH-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449455924 293843525 /nfs/dbraw/zinc/84/35/25/293843525.db2.gz CZMAHWSFTIBBGM-LKCYJCQHSA-N 1 0 348.443 2.947 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255771875 293884601 /nfs/dbraw/zinc/88/46/01/293884601.db2.gz KSQCBIFQYBBRAP-HLRDLLSLSA-N 1 0 343.427 2.942 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289997713 293970140 /nfs/dbraw/zinc/97/01/40/293970140.db2.gz XWOGIMZCNBEBLN-QFBILLFUSA-N 1 0 342.395 2.859 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000290086856 293996817 /nfs/dbraw/zinc/99/68/17/293996817.db2.gz WNHPDBCWQKZIOY-IRXDYDNUSA-N 1 0 333.432 2.668 20 5 EFBDRO COCC(C)(C)CCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000290198476 294025453 /nfs/dbraw/zinc/02/54/53/294025453.db2.gz UMQNVTBCCNHJEH-UHFFFAOYSA-N 1 0 326.393 2.851 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290318744 294055556 /nfs/dbraw/zinc/05/55/56/294055556.db2.gz CTLPWFNYQFDUSZ-UHFFFAOYSA-N 1 0 343.431 2.521 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000290418910 294081777 /nfs/dbraw/zinc/08/17/77/294081777.db2.gz QSMQJKYOMIEUDC-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290429151 294084348 /nfs/dbraw/zinc/08/43/48/294084348.db2.gz KAQRDZWUGOPBKI-INIZCTEOSA-N 1 0 345.374 2.696 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000290547100 294117070 /nfs/dbraw/zinc/11/70/70/294117070.db2.gz IYQUUZNIQPINLL-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000290636458 294141923 /nfs/dbraw/zinc/14/19/23/294141923.db2.gz NGMQRGZBCMQILM-UHFFFAOYSA-N 1 0 330.388 2.730 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290645148 294144961 /nfs/dbraw/zinc/14/49/61/294144961.db2.gz GCNIMLIGRJYRRO-SNVBAGLBSA-N 1 0 349.478 2.592 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000290677604 294154507 /nfs/dbraw/zinc/15/45/07/294154507.db2.gz LCNLSLDHZLPARW-GFCCVEGCSA-N 1 0 334.420 2.628 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000290690768 294158322 /nfs/dbraw/zinc/15/83/22/294158322.db2.gz UYBNDMINZCWHJC-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000290851333 294203016 /nfs/dbraw/zinc/20/30/16/294203016.db2.gz XJMBZEUBIYFJAT-PBHICJAKSA-N 1 0 332.400 2.599 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865972 294206905 /nfs/dbraw/zinc/20/69/05/294206905.db2.gz ZDURZDMPSMLDMU-OCCSQVGLSA-N 1 0 346.431 2.770 20 5 EFBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290867897 294207283 /nfs/dbraw/zinc/20/72/83/294207283.db2.gz ARHUBULQVYSEAP-ZDUSSCGKSA-N 1 0 338.427 2.728 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290871278 294208116 /nfs/dbraw/zinc/20/81/16/294208116.db2.gz ZSTQVZSJAGDHPD-RISCZKNCSA-N 1 0 344.415 2.524 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000291010006 294246016 /nfs/dbraw/zinc/24/60/16/294246016.db2.gz ZXSXUWAYKUGPHM-LLVKDONJSA-N 1 0 325.434 2.775 20 5 EFBDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000291020125 294249553 /nfs/dbraw/zinc/24/95/53/294249553.db2.gz ASHDCMUUXWGHOL-AWEZNQCLSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292729812 294769648 /nfs/dbraw/zinc/76/96/48/294769648.db2.gz ULRJVUPAZOXVDU-CYBMUJFWSA-N 1 0 337.395 2.955 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)s1 ZINC000292855296 294805463 /nfs/dbraw/zinc/80/54/63/294805463.db2.gz ZNTGIGYHHQFBBE-OLZOCXBDSA-N 1 0 348.424 2.953 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293175433 294899218 /nfs/dbraw/zinc/89/92/18/294899218.db2.gz SFFLYMSFAAXYDZ-LLVKDONJSA-N 1 0 331.338 2.997 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228454 294914015 /nfs/dbraw/zinc/91/40/15/294914015.db2.gz AQSPJPXXRCJTEW-LBPRGKRZSA-N 1 0 334.420 2.667 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293305940 294935330 /nfs/dbraw/zinc/93/53/30/294935330.db2.gz ZVLQNRKOLCIJGP-SNVBAGLBSA-N 1 0 328.294 2.988 20 5 EFBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293323534 294940008 /nfs/dbraw/zinc/94/00/08/294940008.db2.gz RGEVRNOOZYWEFB-UHFFFAOYSA-N 1 0 329.784 2.591 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000293585662 295005736 /nfs/dbraw/zinc/00/57/36/295005736.db2.gz XEUQXUKILJJSKT-CHWSQXEVSA-N 1 0 346.431 2.754 20 5 EFBDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000293616173 295012122 /nfs/dbraw/zinc/01/21/22/295012122.db2.gz KKMGVCLOAKBZME-QGZVFWFLSA-N 1 0 345.399 2.848 20 5 EFBDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620189 295012468 /nfs/dbraw/zinc/01/24/68/295012468.db2.gz HADMFFKIMJCPDP-NSHDSACASA-N 1 0 338.408 2.695 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(F)(F)C1 ZINC000293637330 295017065 /nfs/dbraw/zinc/01/70/65/295017065.db2.gz KPOIWZDXFCKEKO-JTQLQIEISA-N 1 0 327.331 2.947 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCC[NH3+] ZINC000293668376 295023716 /nfs/dbraw/zinc/02/37/16/295023716.db2.gz MLUAAONKKDSNEB-NSHDSACASA-N 1 0 325.434 2.709 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000293700854 295031159 /nfs/dbraw/zinc/03/11/59/295031159.db2.gz NGRRSUDYRMPVRG-AWEZNQCLSA-N 1 0 331.416 2.850 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000293800658 295052205 /nfs/dbraw/zinc/05/22/05/295052205.db2.gz DEZFVNWSDQGNSJ-MNOVXSKESA-N 1 0 335.187 2.531 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293913839 295077915 /nfs/dbraw/zinc/07/79/15/295077915.db2.gz WZYSZGBQVDXBNC-DZGCQCFKSA-N 1 0 345.399 2.576 20 5 EFBDRO COc1cc(CN2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294097820 295110221 /nfs/dbraw/zinc/11/02/21/295110221.db2.gz RWTUAZIOCHGQSR-QGZVFWFLSA-N 1 0 338.404 2.859 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294132867 295116325 /nfs/dbraw/zinc/11/63/25/295116325.db2.gz UOAFASDBTNFUJU-CQSZACIVSA-N 1 0 344.415 2.590 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294239614 295133412 /nfs/dbraw/zinc/13/34/12/295133412.db2.gz CECVQKSYGBTMQP-MRXNPFEDSA-N 1 0 335.448 2.803 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccc(F)cc1 ZINC000294263461 295137330 /nfs/dbraw/zinc/13/73/30/295137330.db2.gz VEJBUNRSGKEKOT-GOSISDBHSA-N 1 0 332.375 2.812 20 5 EFBDRO CC(C)[NH+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000294273901 295139223 /nfs/dbraw/zinc/13/92/23/295139223.db2.gz DXPXSODZGSBRAW-UHFFFAOYSA-N 1 0 349.431 2.793 20 5 EFBDRO C[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000294452567 295169438 /nfs/dbraw/zinc/16/94/38/295169438.db2.gz DDCBXFAECYCDHA-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348520580 295185710 /nfs/dbraw/zinc/18/57/10/295185710.db2.gz KRGXKWKDGYBHHQ-YPMHNXCESA-N 1 0 346.330 2.732 20 5 EFBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294563294 295186611 /nfs/dbraw/zinc/18/66/11/295186611.db2.gz LQOSBMHRKWGICR-DGCLKSJQSA-N 1 0 345.321 2.747 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294823078 295232952 /nfs/dbraw/zinc/23/29/52/295232952.db2.gz CUDZIVIESDHPFW-GFCCVEGCSA-N 1 0 339.823 2.970 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000294827079 295233457 /nfs/dbraw/zinc/23/34/57/295233457.db2.gz AHHYOADWMVNVLC-YVEFUNNKSA-N 1 0 342.399 2.682 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294827442 295233493 /nfs/dbraw/zinc/23/34/93/295233493.db2.gz LBBVCBMHPFYBOA-QWHCGFSZSA-N 1 0 337.445 2.724 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294832891 295234307 /nfs/dbraw/zinc/23/43/07/295234307.db2.gz YPOSSCFHWNVHDH-UHFFFAOYSA-N 1 0 341.367 2.600 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856612 295237176 /nfs/dbraw/zinc/23/71/76/295237176.db2.gz SRDCUHFTHYYZGC-GFCCVEGCSA-N 1 0 337.395 2.848 20 5 EFBDRO CN(C)C(=O)O[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294863000 295238067 /nfs/dbraw/zinc/23/80/67/295238067.db2.gz TZBDWFAJUOCFHR-SBJJXXPASA-N 1 0 333.388 2.771 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159728477 295249531 /nfs/dbraw/zinc/24/95/31/295249531.db2.gz ZDRFRSDFNZOFPF-QGZVFWFLSA-N 1 0 343.383 2.602 20 5 EFBDRO CCOc1cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294950720 295249934 /nfs/dbraw/zinc/24/99/34/295249934.db2.gz ASSWXNGUPLCOGC-AWEZNQCLSA-N 1 0 333.432 2.910 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294954435 295250677 /nfs/dbraw/zinc/25/06/77/295250677.db2.gz DKWYASHATIAQFB-UHFFFAOYSA-N 1 0 325.796 2.771 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294964084 295251640 /nfs/dbraw/zinc/25/16/40/295251640.db2.gz CPGYBUGCSMPDJZ-SAZUREKKSA-N 1 0 344.415 2.636 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cnc(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000295017737 295257976 /nfs/dbraw/zinc/25/79/76/295257976.db2.gz MVKDVTFMXYETSH-UHFFFAOYSA-N 1 0 337.763 2.950 20 5 EFBDRO C[C@@H]([N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)O ZINC000295104226 295268753 /nfs/dbraw/zinc/26/87/53/295268753.db2.gz GUBGGRXHZAUNNT-GFCCVEGCSA-N 1 0 333.388 2.884 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000295116994 295270072 /nfs/dbraw/zinc/27/00/72/295270072.db2.gz ZAAAGHNHNCCPBB-NSHDSACASA-N 1 0 325.796 2.723 20 5 EFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295121134 295270575 /nfs/dbraw/zinc/27/05/75/295270575.db2.gz WURFRGZMRZYVFK-RDJZCZTQSA-N 1 0 347.459 2.849 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295124837 295271000 /nfs/dbraw/zinc/27/10/00/295271000.db2.gz HLIPLWKORXNSKP-DOTOQJQBSA-N 1 0 347.459 2.849 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295124845 295271068 /nfs/dbraw/zinc/27/10/68/295271068.db2.gz HLIPLWKORXNSKP-NVXWUHKLSA-N 1 0 347.459 2.849 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000450415498 295277187 /nfs/dbraw/zinc/27/71/87/295277187.db2.gz BLDTVTFNHQGJHO-NEPJUHHUSA-N 1 0 330.388 2.680 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000295403643 295313893 /nfs/dbraw/zinc/31/38/93/295313893.db2.gz ITSDIFVSPWMBJB-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO CSc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295437501 295320618 /nfs/dbraw/zinc/32/06/18/295320618.db2.gz VJHNZSAIZZANDA-LBPRGKRZSA-N 1 0 349.456 2.873 20 5 EFBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000295481478 295328011 /nfs/dbraw/zinc/32/80/11/295328011.db2.gz ZTZPQWXFPRDERS-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295525279 295335470 /nfs/dbraw/zinc/33/54/70/295335470.db2.gz IZNIGNZJVMVSFV-ZDUSSCGKSA-N 1 0 339.461 2.847 20 5 EFBDRO COC(=O)Cc1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000295568426 295342571 /nfs/dbraw/zinc/34/25/71/295342571.db2.gz QYTOQMZXSWJEIW-UHFFFAOYSA-N 1 0 347.415 2.597 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295700828 295363166 /nfs/dbraw/zinc/36/31/66/295363166.db2.gz PWHLMWNGIBDLCR-LLVKDONJSA-N 1 0 325.796 2.580 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295756050 295371280 /nfs/dbraw/zinc/37/12/80/295371280.db2.gz HJGPMKVLDLDGKF-BXUZGUMPSA-N 1 0 339.823 2.969 20 5 EFBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295759902 295371685 /nfs/dbraw/zinc/37/16/85/295371685.db2.gz VQVUWFOAYMBKJX-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295762717 295372125 /nfs/dbraw/zinc/37/21/25/295372125.db2.gz PFKSWTXONFZDOJ-BXUZGUMPSA-N 1 0 337.807 2.947 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000295815993 295380530 /nfs/dbraw/zinc/38/05/30/295380530.db2.gz BOSQATRJIWLWHI-HOTGVXAUSA-N 1 0 347.415 2.861 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000295821612 295381227 /nfs/dbraw/zinc/38/12/27/295381227.db2.gz BXMCCRJYDLXSQC-YOEHRIQHSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295846942 295385341 /nfs/dbraw/zinc/38/53/41/295385341.db2.gz DJOGTNNLOULEKA-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295862754 295387816 /nfs/dbraw/zinc/38/78/16/295387816.db2.gz OMMPGDPASFQXJP-INIZCTEOSA-N 1 0 347.459 2.945 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295925911 295397844 /nfs/dbraw/zinc/39/78/44/295397844.db2.gz SBINEJXZCRBFST-SNVBAGLBSA-N 1 0 345.321 2.637 20 5 EFBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296164002 295434608 /nfs/dbraw/zinc/43/46/08/295434608.db2.gz SXGZWHJKKIEXNX-ZFWWWQNUSA-N 1 0 348.447 2.646 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296175401 295436603 /nfs/dbraw/zinc/43/66/03/295436603.db2.gz VBQQAWJROOJYOM-XFBWCDHKSA-N 1 0 335.404 2.573 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296326584 295459029 /nfs/dbraw/zinc/45/90/29/295459029.db2.gz QMDWWZYJYKRZRF-RHSMWYFYSA-N 1 0 335.404 2.717 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCO[C@H]21 ZINC000296334263 295460119 /nfs/dbraw/zinc/46/01/19/295460119.db2.gz QWRQWKPNJOSUMC-BPLDGKMQSA-N 1 0 344.371 2.548 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008515448 295555805 /nfs/dbraw/zinc/55/58/05/295555805.db2.gz GIFLSSVFFDREBZ-INIZCTEOSA-N 1 0 343.383 2.684 20 5 EFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000181094744 297362594 /nfs/dbraw/zinc/36/25/94/297362594.db2.gz OUQUKIJIIWTIOT-OKILXGFUSA-N 1 0 348.447 2.546 20 5 EFBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159765024 302150182 /nfs/dbraw/zinc/15/01/82/302150182.db2.gz UCYBWAZOEWMVOB-KRWDZBQOSA-N 1 0 327.384 2.902 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000261581446 303472464 /nfs/dbraw/zinc/47/24/64/303472464.db2.gz GBBQARZCZYTTNJ-DVVUODLYSA-N 1 0 326.194 2.531 20 5 EFBDRO COc1cc(C[NH2+]CCCF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000136517487 310664239 /nfs/dbraw/zinc/66/42/39/310664239.db2.gz NROOYGNCKABVLJ-UHFFFAOYSA-N 1 0 340.273 2.994 20 5 EFBDRO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000149903450 310674143 /nfs/dbraw/zinc/67/41/43/310674143.db2.gz QSMGNJUFVOCBFS-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000162913797 310722338 /nfs/dbraw/zinc/72/23/38/310722338.db2.gz BVYBQZFFSHSRLY-UHFFFAOYSA-N 1 0 325.434 2.825 20 5 EFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000163240785 310724985 /nfs/dbraw/zinc/72/49/85/310724985.db2.gz QOSOFXLDQFSLDP-VXGBXAGGSA-N 1 0 349.387 2.820 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1c1ccc(F)cc1 ZINC000297230048 310869178 /nfs/dbraw/zinc/86/91/78/310869178.db2.gz OUXDGPUJOIATIQ-QWHCGFSZSA-N 1 0 349.387 2.752 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CC1CC[NH+](C)CC1 ZINC000297240073 310870105 /nfs/dbraw/zinc/87/01/05/310870105.db2.gz USITXUQGZPRCIC-UHFFFAOYSA-N 1 0 344.415 2.930 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000297296662 310877516 /nfs/dbraw/zinc/87/75/16/310877516.db2.gz VGESPJZPNFMMJS-SJORKVTESA-N 1 0 343.358 2.691 20 5 EFBDRO [NH3+]CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000297301930 310878216 /nfs/dbraw/zinc/87/82/16/310878216.db2.gz VONUFTRQHMZTRV-UHFFFAOYSA-N 1 0 343.836 2.538 20 5 EFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297405650 310891006 /nfs/dbraw/zinc/89/10/06/310891006.db2.gz GDAHUGNUMLONIV-UHFFFAOYSA-N 1 0 349.357 2.794 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298312310 310977521 /nfs/dbraw/zinc/97/75/21/310977521.db2.gz JJIPUGCNCPSFRV-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000298720384 311017429 /nfs/dbraw/zinc/01/74/29/311017429.db2.gz RTSXOWVJOQXEHO-UHFFFAOYSA-N 1 0 325.796 2.771 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000298978837 311039363 /nfs/dbraw/zinc/03/93/63/311039363.db2.gz PKRHIAFXRLIPFG-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299078645 311048753 /nfs/dbraw/zinc/04/87/53/311048753.db2.gz RZVITSDPJVJGPZ-DLBZAZTESA-N 1 0 346.431 2.530 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000299172570 311058494 /nfs/dbraw/zinc/05/84/94/311058494.db2.gz YHGNQPHEUKGIFL-CYBMUJFWSA-N 1 0 331.372 2.805 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000299172575 311058560 /nfs/dbraw/zinc/05/85/60/311058560.db2.gz YHGNQPHEUKGIFL-ZDUSSCGKSA-N 1 0 331.372 2.805 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000299209942 311061823 /nfs/dbraw/zinc/06/18/23/311061823.db2.gz CGQZIVKTRLCIBT-UHFFFAOYSA-N 1 0 337.420 2.520 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000299286518 311069052 /nfs/dbraw/zinc/06/90/52/311069052.db2.gz AFSRLYGYNACPMU-UHFFFAOYSA-N 1 0 345.443 2.908 20 5 EFBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000299293536 311069923 /nfs/dbraw/zinc/06/99/23/311069923.db2.gz GUUQRZUPECGVJT-UHFFFAOYSA-N 1 0 331.416 2.979 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299440330 311085053 /nfs/dbraw/zinc/08/50/53/311085053.db2.gz JKYIJVMIDWBGFF-LBPRGKRZSA-N 1 0 348.428 2.626 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299528813 311093841 /nfs/dbraw/zinc/09/38/41/311093841.db2.gz MRLCZQBSIZPERN-SCOAYWHSSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000301089612 311118555 /nfs/dbraw/zinc/11/85/55/311118555.db2.gz MJEKHFQAIFUIRT-GFCCVEGCSA-N 1 0 345.403 2.778 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+](C)C ZINC000301129582 311120712 /nfs/dbraw/zinc/12/07/12/311120712.db2.gz ZHRNMXPCVHCPDO-QGZVFWFLSA-N 1 0 342.399 2.669 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301327058 311131408 /nfs/dbraw/zinc/13/14/08/311131408.db2.gz ZQTZWLJCUNVHIW-GFCCVEGCSA-N 1 0 342.403 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000301416479 311136444 /nfs/dbraw/zinc/13/64/44/311136444.db2.gz QWNQMHPCMWUYNP-LBPRGKRZSA-N 1 0 327.331 2.871 20 5 EFBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301445249 311137862 /nfs/dbraw/zinc/13/78/62/311137862.db2.gz PJERFDLJWXXPSL-NSHDSACASA-N 1 0 347.337 2.771 20 5 EFBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc2sccn21 ZINC000301452433 311138131 /nfs/dbraw/zinc/13/81/31/311138131.db2.gz GHOSALRBSFABEG-GFCCVEGCSA-N 1 0 335.433 2.980 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301495909 311140718 /nfs/dbraw/zinc/14/07/18/311140718.db2.gz AYVCWMVJGQTQJV-GOSISDBHSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1cc(NCCN2CCC([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301526237 311142532 /nfs/dbraw/zinc/14/25/32/311142532.db2.gz JEWXQWIJSAMDGY-UHFFFAOYSA-N 1 0 340.855 2.995 20 5 EFBDRO Cc1nn(C)c(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000301576094 311145588 /nfs/dbraw/zinc/14/55/88/311145588.db2.gz QEBXFNBIWHCWJN-UHFFFAOYSA-N 1 0 349.479 2.974 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301573903 311145659 /nfs/dbraw/zinc/14/56/59/311145659.db2.gz ZCJMTBVKACRBQT-CYBMUJFWSA-N 1 0 327.812 2.753 20 5 EFBDRO CCOc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301599711 311146931 /nfs/dbraw/zinc/14/69/31/311146931.db2.gz UODCSJGXEXXEKP-AWEZNQCLSA-N 1 0 349.431 2.906 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301602321 311147248 /nfs/dbraw/zinc/14/72/48/311147248.db2.gz WEXLOSZYOMRJHN-QWHCGFSZSA-N 1 0 348.403 2.836 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301602320 311147273 /nfs/dbraw/zinc/14/72/73/311147273.db2.gz WEXLOSZYOMRJHN-OLZOCXBDSA-N 1 0 348.403 2.836 20 5 EFBDRO C[C@@H]1C[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301775609 311157722 /nfs/dbraw/zinc/15/77/22/311157722.db2.gz HHCTYXLRXJPROW-GHMZBOCLSA-N 1 0 329.347 2.784 20 5 EFBDRO Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839432 311161753 /nfs/dbraw/zinc/16/17/53/311161753.db2.gz XLJQUKAPZXJFLH-INIZCTEOSA-N 1 0 341.415 2.891 20 5 EFBDRO CCOc1cccc(N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302102036 311177961 /nfs/dbraw/zinc/17/79/61/311177961.db2.gz LQUAJRIGHOCKMJ-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO Cc1cc(NCCNC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302176202 311182446 /nfs/dbraw/zinc/18/24/46/311182446.db2.gz MYWAKIYIXNBFFJ-UHFFFAOYSA-N 1 0 340.339 2.886 20 5 EFBDRO COC(=O)c1cc(NCC[N@H+]2CC=C(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000302183441 311183136 /nfs/dbraw/zinc/18/31/36/311183136.db2.gz ZQTXQVIDNUPPIE-UHFFFAOYSA-N 1 0 333.388 2.754 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000302404722 311189350 /nfs/dbraw/zinc/18/93/50/311189350.db2.gz LNBUOSZVCOZTMR-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302434745 311190004 /nfs/dbraw/zinc/19/00/04/311190004.db2.gz LYYDDLZOLCUSGQ-QWRGUYRKSA-N 1 0 347.337 2.505 20 5 EFBDRO Cc1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000302478427 311190891 /nfs/dbraw/zinc/19/08/91/311190891.db2.gz FWABTCSGLYCSBZ-QGZVFWFLSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302545060 311192813 /nfs/dbraw/zinc/19/28/13/311192813.db2.gz UMRYXCFFXJPUFJ-BFYDXBDKSA-N 1 0 333.432 2.981 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000302545099 311192850 /nfs/dbraw/zinc/19/28/50/311192850.db2.gz UPAODMUCJGBFBS-OWCLPIDISA-N 1 0 333.432 2.981 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000304736919 311213254 /nfs/dbraw/zinc/21/32/54/311213254.db2.gz AGJMNGBKKZGDBD-GOSISDBHSA-N 1 0 344.415 2.553 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313372871 311232296 /nfs/dbraw/zinc/23/22/96/311232296.db2.gz IUBSXXQNEYBUKM-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325645745 311243336 /nfs/dbraw/zinc/24/33/36/311243336.db2.gz XJRCYPTUJRREGT-SJKOYZFVSA-N 1 0 325.368 2.659 20 5 EFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326711403 311244735 /nfs/dbraw/zinc/24/47/35/311244735.db2.gz XJAJWYARDYGTAR-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330375471 311315902 /nfs/dbraw/zinc/31/59/02/311315902.db2.gz GQOPUIIJAHAWCE-MEBBXXQBSA-N 1 0 326.780 2.879 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330559380 311321798 /nfs/dbraw/zinc/32/17/98/311321798.db2.gz IGCDXVODJZSDHL-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000330573774 311322434 /nfs/dbraw/zinc/32/24/34/311322434.db2.gz NOFJQHDMXFCJRT-OLZOCXBDSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330859106 311339095 /nfs/dbraw/zinc/33/90/95/311339095.db2.gz JXZPCRBWXCRDBI-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1CCC(N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000330923999 311343996 /nfs/dbraw/zinc/34/39/96/311343996.db2.gz FCHFHVNTUOSAKU-UHFFFAOYSA-N 1 0 325.384 2.659 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331045491 311350734 /nfs/dbraw/zinc/35/07/34/311350734.db2.gz HMDIDQZLNFOKRR-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC(C)(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331066773 311351957 /nfs/dbraw/zinc/35/19/57/311351957.db2.gz YKQIHSABECFZNR-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331117186 311355410 /nfs/dbraw/zinc/35/54/10/311355410.db2.gz DZJNYIVQBKELFV-CQSZACIVSA-N 1 0 325.796 2.660 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331132050 311356316 /nfs/dbraw/zinc/35/63/16/311356316.db2.gz JMUARWZFAOQEJL-LBPRGKRZSA-N 1 0 335.404 2.731 20 5 EFBDRO CSc1cccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331160005 311358044 /nfs/dbraw/zinc/35/80/44/311358044.db2.gz WUHOFJMVXYTBEJ-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO COc1cccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000331218294 311361474 /nfs/dbraw/zinc/36/14/74/311361474.db2.gz HFNWUSKMIGZOMA-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270450 311364130 /nfs/dbraw/zinc/36/41/30/311364130.db2.gz ANNZPXKRPXYMJC-LALPHHSUSA-N 1 0 346.387 2.626 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000331292618 311365246 /nfs/dbraw/zinc/36/52/46/311365246.db2.gz LKUXNWKQVZLSKW-ZDUSSCGKSA-N 1 0 335.404 2.777 20 5 EFBDRO COc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331414630 311375053 /nfs/dbraw/zinc/37/50/53/311375053.db2.gz DCOBJHAUJJXDRD-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594013 311394677 /nfs/dbraw/zinc/39/46/77/311394677.db2.gz BYZSEDJYWRDTBE-BBRMVZONSA-N 1 0 349.456 2.775 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594023 311394846 /nfs/dbraw/zinc/39/48/46/311394846.db2.gz BYZSEDJYWRDTBE-XJKSGUPXSA-N 1 0 349.456 2.775 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623102 311398234 /nfs/dbraw/zinc/39/82/34/311398234.db2.gz RGNITBLBIKYKJQ-MJGOQNOKSA-N 1 0 347.459 2.655 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331991456 311442229 /nfs/dbraw/zinc/44/22/29/311442229.db2.gz XZANBAPXPPGXFL-DCGLDWPTSA-N 1 0 349.406 2.923 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332266909 311480455 /nfs/dbraw/zinc/48/04/55/311480455.db2.gz FNDOQZPQBIKCJC-HNKHHVNMSA-N 1 0 346.431 2.733 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332655252 311531744 /nfs/dbraw/zinc/53/17/44/311531744.db2.gz JEUMJOGNKRKHPZ-DZGCQCFKSA-N 1 0 349.406 2.924 20 5 EFBDRO CNc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361137668 311925121 /nfs/dbraw/zinc/92/51/21/311925121.db2.gz ABLAQYMLLBHFQW-AWEZNQCLSA-N 1 0 348.428 2.731 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411154810 311976678 /nfs/dbraw/zinc/97/66/78/311976678.db2.gz GCWKDSNUCLBZES-UHFFFAOYSA-N 1 0 337.420 2.700 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413145292 312046441 /nfs/dbraw/zinc/04/64/41/312046441.db2.gz ZIQOWJVHOOAPTF-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414293280 312049101 /nfs/dbraw/zinc/04/91/01/312049101.db2.gz MKHUFSUCNROUBY-ISTRZQFTSA-N 1 0 337.420 2.697 20 5 EFBDRO C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414906459 312061033 /nfs/dbraw/zinc/06/10/33/312061033.db2.gz PSSITVONJSSUQY-OAHLLOKOSA-N 1 0 329.347 2.676 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415046701 312083003 /nfs/dbraw/zinc/08/30/03/312083003.db2.gz VCKUCOYDGDVBKU-AWEZNQCLSA-N 1 0 332.429 2.948 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1F ZINC000415112157 312096383 /nfs/dbraw/zinc/09/63/83/312096383.db2.gz AUIXFYXCQZXIGF-WMLDXEAASA-N 1 0 333.338 2.800 20 5 EFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000415118621 312097372 /nfs/dbraw/zinc/09/73/72/312097372.db2.gz DTLYFLQSGYOIGR-CMPLNLGQSA-N 1 0 329.347 2.613 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000415141444 312102371 /nfs/dbraw/zinc/10/23/71/312102371.db2.gz WTYHQIQTVCVNGZ-HNNXBMFYSA-N 1 0 327.384 2.884 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000415141447 312102438 /nfs/dbraw/zinc/10/24/38/312102438.db2.gz WTYHQIQTVCVNGZ-OAHLLOKOSA-N 1 0 327.384 2.884 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415445915 312140093 /nfs/dbraw/zinc/14/00/93/312140093.db2.gz SUDXNXBFSPAUOE-ZDUSSCGKSA-N 1 0 346.309 2.816 20 5 EFBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000415444119 312140230 /nfs/dbraw/zinc/14/02/30/312140230.db2.gz RJIIYFIJDUOYAA-UHFFFAOYSA-N 1 0 332.282 2.569 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415451376 312140861 /nfs/dbraw/zinc/14/08/61/312140861.db2.gz XCDYEOOWYPYRCL-WPRPVWTQSA-N 1 0 346.309 2.876 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631830 312159317 /nfs/dbraw/zinc/15/93/17/312159317.db2.gz NSZCMJZKSPGYGD-BTOWRCTQSA-N 1 0 336.367 2.761 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415635327 312160457 /nfs/dbraw/zinc/16/04/57/312160457.db2.gz UMFILVXPIOFEFR-GFCCVEGCSA-N 1 0 336.367 2.587 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000415635516 312160474 /nfs/dbraw/zinc/16/04/74/312160474.db2.gz UULDNFFMHQYZAQ-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415647480 312161956 /nfs/dbraw/zinc/16/19/56/312161956.db2.gz ANIVKTQLHLWEAG-UONOGXRCSA-N 1 0 348.403 2.503 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415649766 312162159 /nfs/dbraw/zinc/16/21/59/312162159.db2.gz DQYDSGGQLJINBZ-MRXNPFEDSA-N 1 0 338.408 2.879 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415668356 312163202 /nfs/dbraw/zinc/16/32/02/312163202.db2.gz ZMUYQMQAKVONCJ-FZMZJTMJSA-N 1 0 336.392 2.585 20 5 EFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417147958 312194759 /nfs/dbraw/zinc/19/47/59/312194759.db2.gz ZWDLBUCGFVRFIU-SWLSCSKDSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417147959 312194878 /nfs/dbraw/zinc/19/48/78/312194878.db2.gz ZWDLBUCGFVRFIU-WFASDCNBSA-N 1 0 334.420 2.733 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309773 312207007 /nfs/dbraw/zinc/20/70/07/312207007.db2.gz KAPOYHLJOYUMAV-PVAVHDDUSA-N 1 0 331.416 2.867 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000417313103 312207797 /nfs/dbraw/zinc/20/77/97/312207797.db2.gz OSKMBHGFSOPEAY-DNVCBOLYSA-N 1 0 347.459 2.920 20 5 EFBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000417313105 312207804 /nfs/dbraw/zinc/20/78/04/312207804.db2.gz OSKMBHGFSOPEAY-KXBFYZLASA-N 1 0 347.459 2.920 20 5 EFBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317977 312208347 /nfs/dbraw/zinc/20/83/47/312208347.db2.gz XTCWELBZRWJJNH-RDTXWAMCSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417724445 312261813 /nfs/dbraw/zinc/26/18/13/312261813.db2.gz YTCVNSGNFIULIV-HOCLYGCPSA-N 1 0 348.447 2.605 20 5 EFBDRO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417737469 312263494 /nfs/dbraw/zinc/26/34/94/312263494.db2.gz XPHQSIZLNIWFIP-GOEBONIOSA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417818214 312274583 /nfs/dbraw/zinc/27/45/83/312274583.db2.gz ASTYXGCUTZVHQR-DYVFJYSZSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417822240 312275721 /nfs/dbraw/zinc/27/57/21/312275721.db2.gz FIXXMTLHIDMRQD-UONOGXRCSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417843868 312280049 /nfs/dbraw/zinc/28/00/49/312280049.db2.gz HAUUZJLEBPWOPU-CYBMUJFWSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417845506 312280453 /nfs/dbraw/zinc/28/04/53/312280453.db2.gz IOHMUCQTXAUEPL-VNHYZAJKSA-N 1 0 334.420 2.733 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000417847573 312280598 /nfs/dbraw/zinc/28/05/98/312280598.db2.gz KAZUFGPQGHONFS-AWEZNQCLSA-N 1 0 348.447 2.995 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000417848823 312280938 /nfs/dbraw/zinc/28/09/38/312280938.db2.gz KZRPTXNKHUUXIE-DZGCQCFKSA-N 1 0 334.420 2.748 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848308 312280968 /nfs/dbraw/zinc/28/09/68/312280968.db2.gz KMUQBOSWZNKRCH-ZFWWWQNUSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417849723 312281364 /nfs/dbraw/zinc/28/13/64/312281364.db2.gz LXMZYDQKDSLFNM-KCQAQPDRSA-N 1 0 334.420 2.781 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417851202 312281620 /nfs/dbraw/zinc/28/16/20/312281620.db2.gz NEJRBFLMGOGJLV-UKRRQHHQSA-N 1 0 334.420 2.796 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417852860 312282144 /nfs/dbraw/zinc/28/21/44/312282144.db2.gz OMQHQLJMBFZHNB-NOLJZWGESA-N 1 0 334.420 2.815 20 5 EFBDRO CC[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417853376 312282338 /nfs/dbraw/zinc/28/23/38/312282338.db2.gz OZSPGUWHAKCJLO-GVDBMIGSSA-N 1 0 346.431 2.733 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417853377 312282344 /nfs/dbraw/zinc/28/23/44/312282344.db2.gz OZSPGUWHAKCJLO-YESZJQIVSA-N 1 0 346.431 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860490 312284229 /nfs/dbraw/zinc/28/42/29/312284229.db2.gz YGYDYKAQQLGGCX-CORIIIEPSA-N 1 0 334.420 2.591 20 5 EFBDRO Cc1c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000418083465 312322800 /nfs/dbraw/zinc/32/28/00/312322800.db2.gz SDLJBDOEDBTSDX-INIZCTEOSA-N 1 0 346.431 2.577 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239836 312352334 /nfs/dbraw/zinc/35/23/34/312352334.db2.gz YZKKTQKUQLMPJJ-NUEKZKHPSA-N 1 0 346.431 2.687 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420589123 312374277 /nfs/dbraw/zinc/37/42/77/312374277.db2.gz STNREFSHFUPPEG-ZIAGYGMSSA-N 1 0 348.447 2.864 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000420600805 312375013 /nfs/dbraw/zinc/37/50/13/312375013.db2.gz MSMBCUIEYQEKOA-UHFFFAOYSA-N 1 0 346.431 2.903 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@H]1CCC[N@@H+]1C ZINC000420640204 312377696 /nfs/dbraw/zinc/37/76/96/312377696.db2.gz SOVVJRSTLMQQFH-GFCCVEGCSA-N 1 0 330.388 2.682 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420885457 312401283 /nfs/dbraw/zinc/40/12/83/312401283.db2.gz BIYXLFRKZZHSLA-UHFFFAOYSA-N 1 0 348.447 2.652 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423550135 312432865 /nfs/dbraw/zinc/43/28/65/312432865.db2.gz FKTFLKCCEFOGNP-RRFJBIMHSA-N 1 0 331.416 2.719 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423597627 312436453 /nfs/dbraw/zinc/43/64/53/312436453.db2.gz ULRILTKLGQMCNL-UHFFFAOYSA-N 1 0 341.367 2.527 20 5 EFBDRO C[C@]1(C[NH3+])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423608512 312438142 /nfs/dbraw/zinc/43/81/42/312438142.db2.gz JYRPFCUWKMHNDS-CQSZACIVSA-N 1 0 343.836 2.538 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000423614957 312439439 /nfs/dbraw/zinc/43/94/39/312439439.db2.gz QRJBSRXIOBWRAZ-ZJUUUORDSA-N 1 0 343.836 2.549 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000423689433 312443122 /nfs/dbraw/zinc/44/31/22/312443122.db2.gz YGELXUITFALXKT-GASCZTMLSA-N 1 0 331.416 2.790 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C[NH3+] ZINC000424010819 312495732 /nfs/dbraw/zinc/49/57/32/312495732.db2.gz ISIWKWPLBDXWPI-ZYHUDNBSSA-N 1 0 333.413 2.866 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424040956 312501595 /nfs/dbraw/zinc/50/15/95/312501595.db2.gz MRPNNONRJCQEFA-HNNXBMFYSA-N 1 0 335.379 2.584 20 5 EFBDRO Cc1c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424042376 312502035 /nfs/dbraw/zinc/50/20/35/312502035.db2.gz WUTZZFGKHOSLPK-GOEBONIOSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424084087 312509554 /nfs/dbraw/zinc/50/95/54/312509554.db2.gz XFGIZMNCTUGLOJ-CQSZACIVSA-N 1 0 325.368 2.742 20 5 EFBDRO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000426417593 312517987 /nfs/dbraw/zinc/51/79/87/312517987.db2.gz BQQROTGQCRUZKJ-HUUCEWRRSA-N 1 0 348.447 2.706 20 5 EFBDRO CS[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432331676 312556974 /nfs/dbraw/zinc/55/69/74/312556974.db2.gz PIFSQGDPFOFLCF-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H]1COCCN1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168297 312597277 /nfs/dbraw/zinc/59/72/77/312597277.db2.gz MGIKHNCTDZULCR-SUMWQHHRSA-N 1 0 333.432 2.628 20 5 EFBDRO COC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000446887454 312657778 /nfs/dbraw/zinc/65/77/78/312657778.db2.gz TZEDQRAHQXHFQL-HNNXBMFYSA-N 1 0 342.823 2.822 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000449343009 312686401 /nfs/dbraw/zinc/68/64/01/312686401.db2.gz HCWCUSVKEKLLHP-BBRMVZONSA-N 1 0 327.384 2.732 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450872388 312763309 /nfs/dbraw/zinc/76/33/09/312763309.db2.gz BVACUFZXSWMRMQ-WMLDXEAASA-N 1 0 344.415 2.593 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450872387 312763392 /nfs/dbraw/zinc/76/33/92/312763392.db2.gz BVACUFZXSWMRMQ-RHSMWYFYSA-N 1 0 344.415 2.593 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000453007973 312845068 /nfs/dbraw/zinc/84/50/68/312845068.db2.gz DFIYWWBTHCONIG-MRXNPFEDSA-N 1 0 334.416 2.847 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453192122 312876937 /nfs/dbraw/zinc/87/69/37/312876937.db2.gz ITNYOVPEGYKYEN-INIZCTEOSA-N 1 0 338.429 2.537 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(=O)NC ZINC000453365862 312893082 /nfs/dbraw/zinc/89/30/82/312893082.db2.gz LRDZLRJHVDQRCR-VXGBXAGGSA-N 1 0 325.434 2.580 20 5 EFBDRO Cc1cnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000453408163 312900138 /nfs/dbraw/zinc/90/01/38/312900138.db2.gz SIVLHIIYKAFJKA-KRWDZBQOSA-N 1 0 326.400 2.847 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000453600952 312915493 /nfs/dbraw/zinc/91/54/93/312915493.db2.gz DFGAUOWLOGFTNK-GOSISDBHSA-N 1 0 348.399 2.815 20 5 EFBDRO C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000458226498 313088318 /nfs/dbraw/zinc/08/83/18/313088318.db2.gz SKUBVWYFWUVWCT-QWHCGFSZSA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462488311 313114869 /nfs/dbraw/zinc/11/48/69/313114869.db2.gz IBINIDHNSYVGCG-UHFFFAOYSA-N 1 0 344.415 2.743 20 5 EFBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462482751 313115111 /nfs/dbraw/zinc/11/51/11/313115111.db2.gz XWTCPKLEWHURPC-UHFFFAOYSA-N 1 0 344.415 2.791 20 5 EFBDRO CCOC(=O)c1cc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000469912465 313127478 /nfs/dbraw/zinc/12/74/78/313127478.db2.gz ZQOCSMIVGOAVES-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000470184819 313130350 /nfs/dbraw/zinc/13/03/50/313130350.db2.gz XRBJDRWRDXFOLF-QIPHDZALSA-N 1 0 345.443 2.652 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000477861993 313245711 /nfs/dbraw/zinc/24/57/11/313245711.db2.gz QXAWEXMPUPWWOX-LRDDRELGSA-N 1 0 337.420 2.697 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)C(C)(C)C ZINC000480687061 313282874 /nfs/dbraw/zinc/28/28/74/313282874.db2.gz GAPFCTVHVALUCY-SWLSCSKDSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H]1CN(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000487181966 313373423 /nfs/dbraw/zinc/37/34/23/313373423.db2.gz SHXULGZGKDMTND-OTMARIDSSA-N 1 0 333.432 2.699 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488567841 313496735 /nfs/dbraw/zinc/49/67/35/313496735.db2.gz ACYXYMLRJARLKQ-CYBMUJFWSA-N 1 0 336.436 2.859 20 5 EFBDRO CCOC(=O)CCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488776425 313512334 /nfs/dbraw/zinc/51/23/34/313512334.db2.gz NYBGAFOMZHSGJW-UHFFFAOYSA-N 1 0 338.408 2.552 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000491400556 313743811 /nfs/dbraw/zinc/74/38/11/313743811.db2.gz JBSQPRWCGIVKTA-VURMDHGXSA-N 1 0 335.379 2.739 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491491575 313755660 /nfs/dbraw/zinc/75/56/60/313755660.db2.gz IJJMDSNKVNVANY-YVMONPNESA-N 1 0 331.416 2.845 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491559890 313764664 /nfs/dbraw/zinc/76/46/64/313764664.db2.gz CAQSPLSOSKSSJB-WRLNGNIRSA-N 1 0 347.390 2.834 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491870117 313797652 /nfs/dbraw/zinc/79/76/52/313797652.db2.gz NNVRWZOMKYZVQN-GQCTYLIASA-N 1 0 335.379 2.547 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491947285 313820119 /nfs/dbraw/zinc/82/01/19/313820119.db2.gz DWHJHVKLILBDRB-BSDKJSHOSA-N 1 0 331.416 2.798 20 5 EFBDRO Cn1ccnc1[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799326 314130250 /nfs/dbraw/zinc/13/02/50/314130250.db2.gz LPMWSVVAWSNTAI-ROJDOSBLSA-N 1 0 326.356 2.609 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000492980482 314199727 /nfs/dbraw/zinc/19/97/27/314199727.db2.gz DUDNOJQFXCKIAM-ALCCZGGFSA-N 1 0 347.390 2.880 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493083180 314234463 /nfs/dbraw/zinc/23/44/63/314234463.db2.gz MBMGSDAPIFSNFJ-LMVHVUTASA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000493122657 314248891 /nfs/dbraw/zinc/24/88/91/314248891.db2.gz UABNLMZQZHNEAR-GJBLVYBDSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000493141112 314255292 /nfs/dbraw/zinc/25/52/92/314255292.db2.gz PAKZGSMZALABHS-NSRYLSIASA-N 1 0 347.390 2.595 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493265461 314297642 /nfs/dbraw/zinc/29/76/42/314297642.db2.gz SAZWKAMRVLHZHY-VKDHPCIHSA-N 1 0 347.390 2.738 20 5 EFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494276824 314568621 /nfs/dbraw/zinc/56/86/21/314568621.db2.gz LUPNKTPNBRQBIH-YHAQOWFVSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495119264 314670865 /nfs/dbraw/zinc/67/08/65/314670865.db2.gz PAJSULMOOIFSBH-GHMZBOCLSA-N 1 0 343.811 2.649 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000496668722 315151343 /nfs/dbraw/zinc/15/13/43/315151343.db2.gz SPLXDQFKCLNIFY-NSHDSACASA-N 1 0 339.367 2.690 20 5 EFBDRO COC(=O)N1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496778613 315192493 /nfs/dbraw/zinc/19/24/93/315192493.db2.gz WYUSHALFUJJHHN-HNNXBMFYSA-N 1 0 333.388 2.650 20 5 EFBDRO O=C1OCCN1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000497280878 315377932 /nfs/dbraw/zinc/37/79/32/315377932.db2.gz QZIITGHHDHQCII-INIZCTEOSA-N 1 0 333.388 2.794 20 5 EFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498372061 315403334 /nfs/dbraw/zinc/40/33/34/315403334.db2.gz GYPLXJKFWHWRLQ-CYBMUJFWSA-N 1 0 342.399 2.716 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507263515 315480598 /nfs/dbraw/zinc/48/05/98/315480598.db2.gz BMIOUJVRVRVCNZ-VYUIOLGVSA-N 1 0 343.836 2.916 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514597544 315543076 /nfs/dbraw/zinc/54/30/76/315543076.db2.gz WYVQEFXMDWAFFO-LLVKDONJSA-N 1 0 345.321 2.957 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000515531765 315625428 /nfs/dbraw/zinc/62/54/28/315625428.db2.gz VEMFCOPUWOPRMC-WBMJQRKESA-N 1 0 331.416 2.892 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000516187380 315661196 /nfs/dbraw/zinc/66/11/96/315661196.db2.gz CCPFGPOCTANEKZ-ZIAGYGMSSA-N 1 0 331.416 2.516 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000516572554 315686797 /nfs/dbraw/zinc/68/67/97/315686797.db2.gz NUEPGAAALBGODW-UHFFFAOYSA-N 1 0 343.836 2.599 20 5 EFBDRO CC(C)(C(=O)N1C[C@H]([NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000518169338 315798990 /nfs/dbraw/zinc/79/89/90/315798990.db2.gz RZAWLXROBTWMLP-OAHLLOKOSA-N 1 0 339.395 2.789 20 5 EFBDRO CC[NH+]1CCC(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000519205475 315850139 /nfs/dbraw/zinc/85/01/39/315850139.db2.gz JOSCSBYKOJANPV-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000521271457 316013625 /nfs/dbraw/zinc/01/36/25/316013625.db2.gz IIRAQPFQGMVVEU-CQSZACIVSA-N 1 0 334.420 2.699 20 5 EFBDRO O=C(CC[NH2+]C[C@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000521627178 316035478 /nfs/dbraw/zinc/03/54/78/316035478.db2.gz ZTXVBBZZTXMPJA-OAHLLOKOSA-N 1 0 349.431 2.702 20 5 EFBDRO CCCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000521863294 316048112 /nfs/dbraw/zinc/04/81/12/316048112.db2.gz XKARPAZAMCWTQQ-UHFFFAOYSA-N 1 0 340.445 2.929 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000524771143 316173552 /nfs/dbraw/zinc/17/35/52/316173552.db2.gz FKIIEZIOMDTSPC-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000524771142 316173605 /nfs/dbraw/zinc/17/36/05/316173605.db2.gz FKIIEZIOMDTSPC-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525675930 316225662 /nfs/dbraw/zinc/22/56/62/316225662.db2.gz OPOJWKVGOUDDFK-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000530522371 317141825 /nfs/dbraw/zinc/14/18/25/317141825.db2.gz RWONNWQABKNBQU-UHFFFAOYSA-N 1 0 334.420 2.585 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000531376073 317258246 /nfs/dbraw/zinc/25/82/46/317258246.db2.gz SICHJOHWVWUNIS-ZFWWWQNUSA-N 1 0 334.420 2.609 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000531376071 317258284 /nfs/dbraw/zinc/25/82/84/317258284.db2.gz SICHJOHWVWUNIS-HIFRSBDPSA-N 1 0 334.420 2.609 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000531836325 317321367 /nfs/dbraw/zinc/32/13/67/317321367.db2.gz SGMCAQHBFFGXNJ-INIZCTEOSA-N 1 0 332.448 2.508 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532198685 317368874 /nfs/dbraw/zinc/36/88/74/317368874.db2.gz MQKBLYAPAAZHRO-GOEBONIOSA-N 1 0 330.384 2.994 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397962 317395827 /nfs/dbraw/zinc/39/58/27/317395827.db2.gz IWEOHFOZIUQTAC-HIFRSBDPSA-N 1 0 334.420 2.620 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397964 317395902 /nfs/dbraw/zinc/39/59/02/317395902.db2.gz IWEOHFOZIUQTAC-ZFWWWQNUSA-N 1 0 334.420 2.620 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000535072317 317578331 /nfs/dbraw/zinc/57/83/31/317578331.db2.gz IKBHMGNXMFUROX-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cn1 ZINC000535785712 317611346 /nfs/dbraw/zinc/61/13/46/317611346.db2.gz BOOTXQAUDMGIJU-SJLPKXTDSA-N 1 0 338.411 2.916 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000537093957 317661906 /nfs/dbraw/zinc/66/19/06/317661906.db2.gz ILTYJFWYQJGBDZ-WOSRLPQWSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000537985031 317687151 /nfs/dbraw/zinc/68/71/51/317687151.db2.gz QBERBCNFOFJBGY-YDHLFZDLSA-N 1 0 340.445 2.910 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000537981484 317687260 /nfs/dbraw/zinc/68/72/60/317687260.db2.gz NMVCJWUTBIFQIE-MELADBBJSA-N 1 0 340.445 2.910 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000539508448 317722040 /nfs/dbraw/zinc/72/20/40/317722040.db2.gz MRCGFZFNGDALID-ZACQAIPSSA-N 1 0 332.400 2.911 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000542908250 317833292 /nfs/dbraw/zinc/83/32/92/317833292.db2.gz DWULAQGQTHKGMA-KRWDZBQOSA-N 1 0 349.431 2.763 20 5 EFBDRO COc1ccc(CC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000544334064 317881801 /nfs/dbraw/zinc/88/18/01/317881801.db2.gz BAHLETNEOIZPTR-AWEZNQCLSA-N 1 0 349.431 2.527 20 5 EFBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH2+][C@H](C)c1ccccc1 ZINC000545474682 317926173 /nfs/dbraw/zinc/92/61/73/317926173.db2.gz BSGGPUKGJDDZHM-ZBFHGGJFSA-N 1 0 343.431 2.984 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000548761596 318140735 /nfs/dbraw/zinc/14/07/35/318140735.db2.gz VLSPRAFLDVUKAM-LSDHHAIUSA-N 1 0 348.447 2.776 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(Cl)c1 ZINC000551558965 318210086 /nfs/dbraw/zinc/21/00/86/318210086.db2.gz RAAXYNJPPYVGLC-CQSZACIVSA-N 1 0 336.775 2.778 20 5 EFBDRO CC1(C)c2ccccc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000552678674 318260994 /nfs/dbraw/zinc/26/09/94/318260994.db2.gz XYMQBLOMVGPTGX-UHFFFAOYSA-N 1 0 339.395 2.987 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000552939279 318266748 /nfs/dbraw/zinc/26/67/48/318266748.db2.gz FDYDNKIJDRCZDG-ZFWWWQNUSA-N 1 0 333.388 2.729 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553026116 318268794 /nfs/dbraw/zinc/26/87/94/318268794.db2.gz BRIZLQZOHBEVHF-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553026117 318268881 /nfs/dbraw/zinc/26/88/81/318268881.db2.gz BRIZLQZOHBEVHF-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553603091 318288679 /nfs/dbraw/zinc/28/86/79/318288679.db2.gz SWEGPJOCCKAGQE-HNNXBMFYSA-N 1 0 348.447 2.509 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000554116541 318301915 /nfs/dbraw/zinc/30/19/15/318301915.db2.gz KPINCKZXCGUDBW-VBQJREDUSA-N 1 0 331.416 2.784 20 5 EFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556063367 318377647 /nfs/dbraw/zinc/37/76/47/318377647.db2.gz BRRFCZPWDZYXKD-FVQBIDKESA-N 1 0 346.435 2.706 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000556320664 318387517 /nfs/dbraw/zinc/38/75/17/318387517.db2.gz MGOOGYJQHBYMSW-CYBMUJFWSA-N 1 0 335.448 2.965 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000556860029 318415967 /nfs/dbraw/zinc/41/59/67/318415967.db2.gz TXZWKWJWHVWNFK-QFBILLFUSA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000557118338 318427912 /nfs/dbraw/zinc/42/79/12/318427912.db2.gz YHCJSZLGQNHUJH-ZQIUZPCESA-N 1 0 331.416 2.784 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000557374695 318435359 /nfs/dbraw/zinc/43/53/59/318435359.db2.gz HYVNGACOCHAMCD-SWLSCSKDSA-N 1 0 336.413 2.617 20 5 EFBDRO COc1cccc(OC)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000560493782 318558990 /nfs/dbraw/zinc/55/89/90/318558990.db2.gz HHZSSLLXZCUXJI-UHFFFAOYSA-N 1 0 332.356 2.781 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000562107308 318621785 /nfs/dbraw/zinc/62/17/85/318621785.db2.gz QITJTDHWZYFSRN-QLFBSQMISA-N 1 0 349.431 2.700 20 5 EFBDRO COC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000562541326 318661229 /nfs/dbraw/zinc/66/12/29/318661229.db2.gz XQYHHNNVOCJWMW-UHFFFAOYSA-N 1 0 346.387 2.827 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC000563002219 318725851 /nfs/dbraw/zinc/72/58/51/318725851.db2.gz DDXQIZHPLMBGDM-INIZCTEOSA-N 1 0 336.436 2.635 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)CCc3ccccc3)nc2c1 ZINC000563003272 318726327 /nfs/dbraw/zinc/72/63/27/318726327.db2.gz QFZFSLDFAKXICE-HNNXBMFYSA-N 1 0 340.383 2.554 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563748585 318813564 /nfs/dbraw/zinc/81/35/64/318813564.db2.gz VSACKMPHKQTIBG-WBVHZDCISA-N 1 0 342.395 2.920 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000565000947 318919778 /nfs/dbraw/zinc/91/97/78/318919778.db2.gz MRUHKVYUHNCOIA-UHFFFAOYSA-N 1 0 327.384 2.909 20 5 EFBDRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565434290 318970581 /nfs/dbraw/zinc/97/05/81/318970581.db2.gz SJESMOUOOMFLRS-KOHJWAIASA-N 1 0 338.429 2.528 20 5 EFBDRO COCCC[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565784980 319002802 /nfs/dbraw/zinc/00/28/02/319002802.db2.gz NHOWSJQYCLHUSS-KRWDZBQOSA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000566120705 319035997 /nfs/dbraw/zinc/03/59/97/319035997.db2.gz OVRPFMNIQIQMID-LESCRADOSA-N 1 0 334.416 2.750 20 5 EFBDRO CC(C)(C)CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566234999 319050778 /nfs/dbraw/zinc/05/07/78/319050778.db2.gz VOPVMUBBENXZBP-ZDUSSCGKSA-N 1 0 337.420 2.700 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566258033 319053311 /nfs/dbraw/zinc/05/33/11/319053311.db2.gz OMLPFIMHEDNNSA-RKDXNWHRSA-N 1 0 331.825 2.582 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000566467362 319080755 /nfs/dbraw/zinc/08/07/55/319080755.db2.gz VCWIAGUSTRRZCY-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)c2conc2C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000566473234 319081482 /nfs/dbraw/zinc/08/14/82/319081482.db2.gz HCLDWSNKNJMBBM-JTQLQIEISA-N 1 0 332.360 2.576 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475082 319082058 /nfs/dbraw/zinc/08/20/58/319082058.db2.gz JTYUFAYKWZKELT-CKEIUWERSA-N 1 0 331.416 2.865 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000566485570 319083466 /nfs/dbraw/zinc/08/34/66/319083466.db2.gz NMTUKRAFIFUFBC-GFCCVEGCSA-N 1 0 331.376 2.504 20 5 EFBDRO Cc1nc(C)c(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000566733166 319105839 /nfs/dbraw/zinc/10/58/39/319105839.db2.gz MZWOYSWNYICEII-UHFFFAOYSA-N 1 0 348.428 2.829 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179650 319146651 /nfs/dbraw/zinc/14/66/51/319146651.db2.gz NROSLARFTSWYTH-KRWDZBQOSA-N 1 0 333.432 2.590 20 5 EFBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567679445 319195496 /nfs/dbraw/zinc/19/54/96/319195496.db2.gz XNDCIEHYCQFRAM-SJLPKXTDSA-N 1 0 344.411 2.945 20 5 EFBDRO CCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000567987535 319234083 /nfs/dbraw/zinc/23/40/83/319234083.db2.gz FKDAKPCBUYSQOK-UHFFFAOYSA-N 1 0 348.424 2.721 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568390430 319279376 /nfs/dbraw/zinc/27/93/76/319279376.db2.gz MUTRUIITOKUGCE-GUYCJALGSA-N 1 0 339.395 2.967 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000568564507 319295298 /nfs/dbraw/zinc/29/52/98/319295298.db2.gz ZODALYHNJXHVCN-ZDUSSCGKSA-N 1 0 345.403 2.970 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000568740518 319313667 /nfs/dbraw/zinc/31/36/67/319313667.db2.gz WCUIRAZONAJLED-HNNXBMFYSA-N 1 0 325.434 2.810 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000568780306 319318816 /nfs/dbraw/zinc/31/88/16/319318816.db2.gz WIKLXTFATWPLRJ-YJBOKZPZSA-N 1 0 347.459 2.919 20 5 EFBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000568891546 319329107 /nfs/dbraw/zinc/32/91/07/319329107.db2.gz UYQSSOCZMFAWGN-IBGZPJMESA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000570270695 319460203 /nfs/dbraw/zinc/46/02/03/319460203.db2.gz GPWGHDYCQNXEPB-GFCCVEGCSA-N 1 0 331.376 2.598 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000570826314 319516976 /nfs/dbraw/zinc/51/69/76/319516976.db2.gz ABRJXPOPBIVTRW-QANKJYHBSA-N 1 0 346.427 2.739 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000571516013 319581188 /nfs/dbraw/zinc/58/11/88/319581188.db2.gz GVHUGURDMKAXIP-HOCLYGCPSA-N 1 0 346.358 2.751 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1cccs1 ZINC000571908870 319618610 /nfs/dbraw/zinc/61/86/10/319618610.db2.gz IYVHTPYAQSVJBZ-CYBMUJFWSA-N 1 0 336.413 2.618 20 5 EFBDRO C[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573654080 319785225 /nfs/dbraw/zinc/78/52/25/319785225.db2.gz DKNQEVILYRMNDR-GJZGRUSLSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000575060729 319921113 /nfs/dbraw/zinc/92/11/13/319921113.db2.gz LFCITHAQFURVDH-VHSXEESVSA-N 1 0 334.401 2.574 20 5 EFBDRO CCOc1cccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000575429758 319944998 /nfs/dbraw/zinc/94/49/98/319944998.db2.gz APRYFCURXSPGJI-OAHLLOKOSA-N 1 0 349.431 2.685 20 5 EFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000576332405 320006466 /nfs/dbraw/zinc/00/64/66/320006466.db2.gz VCXWJOHXDSIDBY-XJKSGUPXSA-N 1 0 339.823 2.971 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000576357417 320009257 /nfs/dbraw/zinc/00/92/57/320009257.db2.gz OCYGBRIKUBKZEE-OAHLLOKOSA-N 1 0 335.429 2.751 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525940 320023972 /nfs/dbraw/zinc/02/39/72/320023972.db2.gz MYTBVMHFGZAJSH-IUODEOHRSA-N 1 0 347.371 2.882 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525942 320024035 /nfs/dbraw/zinc/02/40/35/320024035.db2.gz MYTBVMHFGZAJSH-WFASDCNBSA-N 1 0 347.371 2.882 20 5 EFBDRO Cc1noc([C@@H]2CC[C@H](C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])O2)n1 ZINC000576530245 320024375 /nfs/dbraw/zinc/02/43/75/320024375.db2.gz VMWVVFNFDRECFG-XFJVYGCCSA-N 1 0 344.371 2.783 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576829505 320052904 /nfs/dbraw/zinc/05/29/04/320052904.db2.gz CRRNPZHLQXAVPB-PXAZEXFGSA-N 1 0 343.427 2.918 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576937057 320062133 /nfs/dbraw/zinc/06/21/33/320062133.db2.gz USTLIUNLVVIDTL-SNVBAGLBSA-N 1 0 331.294 2.567 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)n[nH]1 ZINC000576956419 320064776 /nfs/dbraw/zinc/06/47/76/320064776.db2.gz CUEJCQULDVMAFE-INIZCTEOSA-N 1 0 341.415 2.872 20 5 EFBDRO CCC(C)(C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577351594 320101972 /nfs/dbraw/zinc/10/19/72/320101972.db2.gz VKHCURSHGPDUJG-GFCCVEGCSA-N 1 0 328.434 2.783 20 5 EFBDRO C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000577385500 320106218 /nfs/dbraw/zinc/10/62/18/320106218.db2.gz HUUFZJUKEWAEJV-JOCQHMNTSA-N 1 0 326.418 2.537 20 5 EFBDRO CC(C)Oc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000577626915 320129776 /nfs/dbraw/zinc/12/97/76/320129776.db2.gz YRUAZOIEZOYPGG-PBWFPOADSA-N 1 0 334.420 2.838 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577963420 320160478 /nfs/dbraw/zinc/16/04/78/320160478.db2.gz ZCIPBBRCQFIIEN-KSSFIOAISA-N 1 0 342.395 2.920 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(CO)c2)n1 ZINC000577969811 320161034 /nfs/dbraw/zinc/16/10/34/320161034.db2.gz KAIOSKLUJBZUBA-JKSUJKDBSA-N 1 0 330.388 2.557 20 5 EFBDRO CS[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000578187663 320181652 /nfs/dbraw/zinc/18/16/52/320181652.db2.gz OTZFOEUPAXVGPY-WFASDCNBSA-N 1 0 342.461 2.702 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000578241926 320188272 /nfs/dbraw/zinc/18/82/72/320188272.db2.gz AQQSIFKOWGCETP-OLZOCXBDSA-N 1 0 347.415 2.655 20 5 EFBDRO COc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000578244936 320188577 /nfs/dbraw/zinc/18/85/77/320188577.db2.gz VIBWQTCXDLIHIC-ONGXEEELSA-N 1 0 345.346 2.516 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000182223124 323270256 /nfs/dbraw/zinc/27/02/56/323270256.db2.gz WNMXBIKPPWZBJF-JKSUJKDBSA-N 1 0 334.416 2.989 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000182287762 323274805 /nfs/dbraw/zinc/27/48/05/323274805.db2.gz QOVKZCGCWHGDHX-UONOGXRCSA-N 1 0 332.360 2.692 20 5 EFBDRO COCCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182375039 323279645 /nfs/dbraw/zinc/27/96/45/323279645.db2.gz XGTKHLIDQLHJME-AWEZNQCLSA-N 1 0 328.796 2.876 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183471427 323336858 /nfs/dbraw/zinc/33/68/58/323336858.db2.gz NYIHFTOFASGZJN-YESZJQIVSA-N 1 0 349.431 2.661 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000183536463 323339780 /nfs/dbraw/zinc/33/97/80/323339780.db2.gz TZWSDBDNVYQIBU-UHFFFAOYSA-N 1 0 327.384 2.816 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183713231 323345984 /nfs/dbraw/zinc/34/59/84/323345984.db2.gz GMOKKTXWZUZTGM-MRXNPFEDSA-N 1 0 349.431 2.763 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184923709 323378222 /nfs/dbraw/zinc/37/82/22/323378222.db2.gz ZLSGLFHMKIBZJB-OLZOCXBDSA-N 1 0 337.395 2.828 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185422436 323390895 /nfs/dbraw/zinc/39/08/95/323390895.db2.gz WRVGWEUTIHSHEH-GFCCVEGCSA-N 1 0 325.384 2.686 20 5 EFBDRO C[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185490002 323391497 /nfs/dbraw/zinc/39/14/97/323391497.db2.gz CKXCDZPCANFWPB-VXGBXAGGSA-N 1 0 339.411 2.930 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296796792 323627001 /nfs/dbraw/zinc/62/70/01/323627001.db2.gz LEELVFDYBYIBEB-BBRMVZONSA-N 1 0 334.420 2.782 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000296839919 323645133 /nfs/dbraw/zinc/64/51/33/323645133.db2.gz BTMATYRYPAYTBH-KGLIPLIRSA-N 1 0 349.387 2.752 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000296884726 323667055 /nfs/dbraw/zinc/66/70/55/323667055.db2.gz JKQJVGCLUGVMRC-ZDUSSCGKSA-N 1 0 342.399 2.699 20 5 EFBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578859592 323826628 /nfs/dbraw/zinc/82/66/28/323826628.db2.gz FFJWFZRPNPTCHY-WMLDXEAASA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@H](Cc1cccs1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579393190 323948272 /nfs/dbraw/zinc/94/82/72/323948272.db2.gz HVUXXXYMDBLUOL-OCCSQVGLSA-N 1 0 336.413 2.617 20 5 EFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579833879 324041902 /nfs/dbraw/zinc/04/19/02/324041902.db2.gz LQUSZTDKMKPYMH-INIZCTEOSA-N 1 0 337.420 2.556 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000580590459 324195016 /nfs/dbraw/zinc/19/50/16/324195016.db2.gz CEQKXEUGQCQQES-MCIONIFRSA-N 1 0 335.404 2.574 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000580628628 324201013 /nfs/dbraw/zinc/20/10/13/324201013.db2.gz MSEMYBHTXYWDQH-MFKMUULPSA-N 1 0 344.337 2.929 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000580828388 324246015 /nfs/dbraw/zinc/24/60/15/324246015.db2.gz MXSRDHULOJGLCW-MRXNPFEDSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000581246497 324335664 /nfs/dbraw/zinc/33/56/64/324335664.db2.gz XYJFJSPFUAQODH-MRXNPFEDSA-N 1 0 334.803 2.984 20 5 EFBDRO CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290041 324343409 /nfs/dbraw/zinc/34/34/09/324343409.db2.gz NXODQDBFSVHABK-HUUCEWRRSA-N 1 0 332.408 2.842 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210930 449753951 /nfs/dbraw/zinc/75/39/51/449753951.db2.gz WQZLLYIYRPGSIK-UKRRQHHQSA-N 1 0 327.388 2.565 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068513799 472202979 /nfs/dbraw/zinc/20/29/79/472202979.db2.gz GZLRQJOSQQNVJT-AWEZNQCLSA-N 1 0 348.428 2.580 20 5 EFBDRO CCC[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042268277 472126264 /nfs/dbraw/zinc/12/62/64/472126264.db2.gz IXOUJWKOFULMNF-UHFFFAOYSA-N 1 0 328.210 2.889 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000081521113 473213123 /nfs/dbraw/zinc/21/31/23/473213123.db2.gz FDMVNLBYGMCUII-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124263653 473225080 /nfs/dbraw/zinc/22/50/80/473225080.db2.gz DRIGJVBISUOWGS-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@@H]1OCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000139126361 473227093 /nfs/dbraw/zinc/22/70/93/473227093.db2.gz JJBSJDOJJMFJPA-STQMWFEESA-N 1 0 331.372 2.902 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139504321 473233288 /nfs/dbraw/zinc/23/32/88/473233288.db2.gz DVCCZRYHFACNTN-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124327832 473232912 /nfs/dbraw/zinc/23/29/12/473232912.db2.gz WLPNTTMNWKBLAE-CYBMUJFWSA-N 1 0 331.338 2.877 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632491 473236661 /nfs/dbraw/zinc/23/66/61/473236661.db2.gz BANPJWNSRQWCOJ-OAHLLOKOSA-N 1 0 333.432 2.767 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000124374680 473238695 /nfs/dbraw/zinc/23/86/95/473238695.db2.gz NRDBHNZNBIWWQK-CYBMUJFWSA-N 1 0 337.395 2.832 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000124456526 473247811 /nfs/dbraw/zinc/24/78/11/473247811.db2.gz LXOLWUSSVYJSFJ-CYBMUJFWSA-N 1 0 337.395 2.832 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140489518 473246361 /nfs/dbraw/zinc/24/63/61/473246361.db2.gz FEZOIFFCOQQWCB-HBUWYVDXSA-N 1 0 347.415 2.549 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c3cnccc23)cn1 ZINC000141125219 473251828 /nfs/dbraw/zinc/25/18/28/473251828.db2.gz MLRZPSMFHNPQRM-UHFFFAOYSA-N 1 0 326.360 2.645 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000124544132 473260386 /nfs/dbraw/zinc/26/03/86/473260386.db2.gz YBSSQGPGIJNJOB-UHFFFAOYSA-N 1 0 343.387 2.763 20 5 EFBDRO CCc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176902837 473262756 /nfs/dbraw/zinc/26/27/56/473262756.db2.gz MWYKFURRASEHKA-UHFFFAOYSA-N 1 0 328.372 2.866 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000190410937 473263899 /nfs/dbraw/zinc/26/38/99/473263899.db2.gz OGDUFKAEGJIPQA-GFCCVEGCSA-N 1 0 326.418 2.667 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124585504 473268464 /nfs/dbraw/zinc/26/84/64/473268464.db2.gz TYFJVHMFRRTJFS-UHFFFAOYSA-N 1 0 343.387 2.586 20 5 EFBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000143058501 473270983 /nfs/dbraw/zinc/27/09/83/473270983.db2.gz IATLCFCNVHZJIC-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+]1CCOCC1 ZINC000471630123 467972693 /nfs/dbraw/zinc/97/26/93/467972693.db2.gz XBCXVNSRUCISNA-INIZCTEOSA-N 1 0 336.436 2.847 20 5 EFBDRO C[C@@H]1CSCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190455658 473280809 /nfs/dbraw/zinc/28/08/09/473280809.db2.gz DHUKAICBOHDIPE-NSHDSACASA-N 1 0 334.401 2.830 20 5 EFBDRO Cc1cc(NC(=O)CC[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000518518825 468118754 /nfs/dbraw/zinc/11/87/54/468118754.db2.gz IDGZLGWLFOZUAZ-UHFFFAOYSA-N 1 0 346.387 2.832 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H](C)C1 ZINC000190472923 473285111 /nfs/dbraw/zinc/28/51/11/473285111.db2.gz AGBFFGMFCRMDOZ-GFCCVEGCSA-N 1 0 337.445 2.917 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177066033 473298897 /nfs/dbraw/zinc/29/88/97/473298897.db2.gz GZWQWLJJXFTEGR-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000177077027 473301522 /nfs/dbraw/zinc/30/15/22/473301522.db2.gz JPTUSNANHPRRFQ-UHFFFAOYSA-N 1 0 337.376 2.657 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000162133325 473306848 /nfs/dbraw/zinc/30/68/48/473306848.db2.gz ICRCIGKKRXXYDJ-NEPJUHHUSA-N 1 0 346.412 2.718 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171163878 473307490 /nfs/dbraw/zinc/30/74/90/473307490.db2.gz SUSOAPSVQXUTQI-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000124817953 473307506 /nfs/dbraw/zinc/30/75/06/473307506.db2.gz LAPDSMKBJHTLPN-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083026342 473312710 /nfs/dbraw/zinc/31/27/10/473312710.db2.gz FUTDPFISTPECFV-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000083026345 473312902 /nfs/dbraw/zinc/31/29/02/473312902.db2.gz UNYJSLXWKHKROB-KBPBESRZSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000083026500 473312917 /nfs/dbraw/zinc/31/29/17/473312917.db2.gz DKLOJAGREUQPBM-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000083026502 473313247 /nfs/dbraw/zinc/31/32/47/473313247.db2.gz DKLOJAGREUQPBM-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000162241693 473319785 /nfs/dbraw/zinc/31/97/85/473319785.db2.gz MJOYICMRDVRZNS-KGLIPLIRSA-N 1 0 333.432 2.972 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177157879 473320072 /nfs/dbraw/zinc/32/00/72/473320072.db2.gz LKVKSELOUUDFHN-UPJWGTAASA-N 1 0 349.456 2.817 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112821431 473317637 /nfs/dbraw/zinc/31/76/37/473317637.db2.gz SIYWJLAJFVNLKP-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162259679 473322799 /nfs/dbraw/zinc/32/27/99/473322799.db2.gz NUWRHZSXVPYYMR-ZWNOBZJWSA-N 1 0 343.811 2.572 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000190648358 473343846 /nfs/dbraw/zinc/34/38/46/473343846.db2.gz PRTCEZPXXNNRAT-CQSZACIVSA-N 1 0 349.431 2.762 20 5 EFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125056458 473348701 /nfs/dbraw/zinc/34/87/01/473348701.db2.gz AIHHIKZNEWGSPK-AWEZNQCLSA-N 1 0 343.383 2.813 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177275128 473346097 /nfs/dbraw/zinc/34/60/97/473346097.db2.gz QGUNATDTSKFPDW-SCRDCRAPSA-N 1 0 335.429 2.603 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000177330394 473356196 /nfs/dbraw/zinc/35/61/96/473356196.db2.gz LKIIQIMMTBPKOC-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185246600 473376625 /nfs/dbraw/zinc/37/66/25/473376625.db2.gz JWLAIZVJSCUGDX-OLZOCXBDSA-N 1 0 337.395 2.638 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000113343756 473385674 /nfs/dbraw/zinc/38/56/74/473385674.db2.gz QPCJYVTWEKEQJK-LLVKDONJSA-N 1 0 327.406 2.755 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000113343755 473386009 /nfs/dbraw/zinc/38/60/09/473386009.db2.gz QPCJYVTWEKEQJK-NSHDSACASA-N 1 0 327.406 2.755 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000125286061 473386967 /nfs/dbraw/zinc/38/69/67/473386967.db2.gz GFJZDEQRIFAGAZ-GDBMZVCRSA-N 1 0 329.400 2.570 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000162840960 473388844 /nfs/dbraw/zinc/38/88/44/473388844.db2.gz ZRPOEEXDLVMZLB-UGSOOPFHSA-N 1 0 339.395 2.967 20 5 EFBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000619759439 479876354 /nfs/dbraw/zinc/87/63/54/479876354.db2.gz LIWHVMVEIJTASM-AWEZNQCLSA-N 1 0 348.447 2.509 20 5 EFBDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000424185775 477322348 /nfs/dbraw/zinc/32/23/48/477322348.db2.gz HIRHVPNONCUFCN-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO Cc1ccccc1C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592140092 478791874 /nfs/dbraw/zinc/79/18/74/478791874.db2.gz YZIBOVPFNNGZDZ-OAHLLOKOSA-N 1 0 342.395 2.922 20 5 EFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592154760 478800625 /nfs/dbraw/zinc/80/06/25/478800625.db2.gz JFHITMBQUOJNKM-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000505704867 478879312 /nfs/dbraw/zinc/87/93/12/478879312.db2.gz GHUATRKUMWPOAI-OAHLLOKOSA-N 1 0 332.448 2.508 20 5 EFBDRO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602579376 479407296 /nfs/dbraw/zinc/40/72/96/479407296.db2.gz ANUCBZUPEHJNRM-NVXWUHKLSA-N 1 0 348.447 2.752 20 5 EFBDRO CC(C)CSCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602579285 479407612 /nfs/dbraw/zinc/40/76/12/479407612.db2.gz FLFVGTGNGYRRDZ-UHFFFAOYSA-N 1 0 338.477 2.937 20 5 EFBDRO Cc1c(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000616483577 479922078 /nfs/dbraw/zinc/92/20/78/479922078.db2.gz MSGPZROECNPLFE-UHFFFAOYSA-N 1 0 349.412 2.565 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097875 471661610 /nfs/dbraw/zinc/66/16/10/471661610.db2.gz PVDHZAJCQWONLP-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000010018140 471725891 /nfs/dbraw/zinc/72/58/91/471725891.db2.gz JTOQGYQXPFEGDS-KRWDZBQOSA-N 1 0 343.383 2.636 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010018693 471726147 /nfs/dbraw/zinc/72/61/47/471726147.db2.gz BQJYSVNCXUBQCU-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000010017879 471726243 /nfs/dbraw/zinc/72/62/43/471726243.db2.gz DWPPVSHLGOOQHW-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000010018141 471726254 /nfs/dbraw/zinc/72/62/54/471726254.db2.gz JTOQGYQXPFEGDS-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010017822 471726351 /nfs/dbraw/zinc/72/63/51/471726351.db2.gz RRSZAOKZHIQJAF-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000014939337 471882609 /nfs/dbraw/zinc/88/26/09/471882609.db2.gz AJKSGANOIZEMQA-UHFFFAOYSA-N 1 0 337.445 2.676 20 5 EFBDRO COc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000015140325 471891622 /nfs/dbraw/zinc/89/16/22/471891622.db2.gz ACPVSWSPZTWUMI-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599683 471943313 /nfs/dbraw/zinc/94/33/13/471943313.db2.gz NBTMSZDEFJWEBM-INIZCTEOSA-N 1 0 343.383 2.636 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000053160427 471978658 /nfs/dbraw/zinc/97/86/58/471978658.db2.gz UMOGPXUMJYEEPA-CABCVRRESA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000067022406 471982959 /nfs/dbraw/zinc/98/29/59/471982959.db2.gz MBVPSLSRJADTOV-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000067140050 471995945 /nfs/dbraw/zinc/99/59/45/471995945.db2.gz IGLLXLLHBKOBGS-KRWDZBQOSA-N 1 0 341.411 2.806 20 5 EFBDRO C[NH+](C)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCCC1 ZINC000021791064 472004124 /nfs/dbraw/zinc/00/41/24/472004124.db2.gz FDCLGYNWZPUYTR-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO NC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000036753873 472006402 /nfs/dbraw/zinc/00/64/02/472006402.db2.gz BQBBTHMXQRTQAJ-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000067269056 472012761 /nfs/dbraw/zinc/01/27/61/472012761.db2.gz DQAREKLUQOSQRO-ZDUSSCGKSA-N 1 0 333.413 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000067299337 472017811 /nfs/dbraw/zinc/01/78/11/472017811.db2.gz LQFVKDMBPDRMRT-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000067373278 472024674 /nfs/dbraw/zinc/02/46/74/472024674.db2.gz UTYTXLUYXBSGDA-CYBMUJFWSA-N 1 0 327.812 2.753 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000023798367 472038728 /nfs/dbraw/zinc/03/87/28/472038728.db2.gz CIBWEWHXALYJMV-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000067548875 472047737 /nfs/dbraw/zinc/04/77/37/472047737.db2.gz MHHQMCLIUQLBCM-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041318883 472055250 /nfs/dbraw/zinc/05/52/50/472055250.db2.gz YJQPUEUWEHFPNN-CYBMUJFWSA-N 1 0 339.461 2.922 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000024812013 472068697 /nfs/dbraw/zinc/06/86/97/472068697.db2.gz JJBHLMGZDQVZSX-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041579381 472071889 /nfs/dbraw/zinc/07/18/89/472071889.db2.gz IQOWSXSFJVHPBG-UHFFFAOYSA-N 1 0 335.448 2.964 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054286707 472072947 /nfs/dbraw/zinc/07/29/47/472072947.db2.gz XGFLFTIOVWLDOB-LBPRGKRZSA-N 1 0 334.420 2.539 20 5 EFBDRO COc1ccc(CC(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000067791734 472090359 /nfs/dbraw/zinc/09/03/59/472090359.db2.gz XWKADYWPUKTULZ-UHFFFAOYSA-N 1 0 349.431 2.527 20 5 EFBDRO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025330140 472090317 /nfs/dbraw/zinc/09/03/17/472090317.db2.gz VBVCPMAQRITIQB-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000067806624 472091987 /nfs/dbraw/zinc/09/19/87/472091987.db2.gz ULZMMYUERSUDCY-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CC(C)C)CC1 ZINC000041894491 472094127 /nfs/dbraw/zinc/09/41/27/472094127.db2.gz HPUQPEWABSVVHS-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000054620124 472102640 /nfs/dbraw/zinc/10/26/40/472102640.db2.gz XGOQPOSRDYUGLO-UHFFFAOYSA-N 1 0 325.412 2.955 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000054805955 472117924 /nfs/dbraw/zinc/11/79/24/472117924.db2.gz KOTJICCQOKIITA-CQSZACIVSA-N 1 0 348.447 2.905 20 5 EFBDRO CCCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000026450565 472137755 /nfs/dbraw/zinc/13/77/55/472137755.db2.gz ZJNDBPPKOWUOHP-UHFFFAOYSA-N 1 0 335.360 2.527 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026466394 472138482 /nfs/dbraw/zinc/13/84/82/472138482.db2.gz IWZHPWODDGRRFR-FRRDWIJNSA-N 1 0 335.404 2.908 20 5 EFBDRO Cc1ccccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712106 472145723 /nfs/dbraw/zinc/14/57/23/472145723.db2.gz BTTGMSZZRQXCOP-KRWDZBQOSA-N 1 0 330.384 2.775 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000075506432 472147693 /nfs/dbraw/zinc/14/76/93/472147693.db2.gz MCQOCMGFEMRKLL-OAHLLOKOSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000068341922 472172426 /nfs/dbraw/zinc/17/24/26/472172426.db2.gz RQRKAUGGWYPPPG-OCCSQVGLSA-N 1 0 337.445 2.628 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677484 472190142 /nfs/dbraw/zinc/19/01/42/472190142.db2.gz OLNPCOGBASGZEL-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027744849 472193665 /nfs/dbraw/zinc/19/36/65/472193665.db2.gz CWBWONWFJROXSX-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075759422 472194996 /nfs/dbraw/zinc/19/49/96/472194996.db2.gz IIEMOBOTVRODJH-UHFFFAOYSA-N 1 0 329.356 2.582 20 5 EFBDRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000043084801 472196793 /nfs/dbraw/zinc/19/67/93/472196793.db2.gz VQQFTMFHGKAGNI-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043149657 472205940 /nfs/dbraw/zinc/20/59/40/472205940.db2.gz IZVOPWDZUYTLJW-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000043148242 472206187 /nfs/dbraw/zinc/20/61/87/472206187.db2.gz SFVCDXQRHJQFSS-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000043179176 472207923 /nfs/dbraw/zinc/20/79/23/472207923.db2.gz GDLMXGNMUUKORF-UHFFFAOYSA-N 1 0 334.420 2.609 20 5 EFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055748362 472232528 /nfs/dbraw/zinc/23/25/28/472232528.db2.gz HGDNXQRYDKJWKL-MELADBBJSA-N 1 0 333.432 2.999 20 5 EFBDRO CNc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055749452 472233316 /nfs/dbraw/zinc/23/33/16/472233316.db2.gz CKCYYQBWOGTXHV-MGPQQGTHSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000085359726 472238631 /nfs/dbraw/zinc/23/86/31/472238631.db2.gz UGHPZMJXJIALJC-CHWSQXEVSA-N 1 0 336.436 2.931 20 5 EFBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000616785313 479975926 /nfs/dbraw/zinc/97/59/26/479975926.db2.gz NJPBTTOBBGLZAB-UHFFFAOYSA-N 1 0 330.388 2.877 20 5 EFBDRO CC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029607056 472284481 /nfs/dbraw/zinc/28/44/81/472284481.db2.gz CRIWKXOBTRTGDJ-GFCCVEGCSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000044487810 472310970 /nfs/dbraw/zinc/31/09/70/472310970.db2.gz IDPDOINADMSJMF-LBPRGKRZSA-N 1 0 345.424 2.833 20 5 EFBDRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056382383 472314252 /nfs/dbraw/zinc/31/42/52/472314252.db2.gz GRPZQVJBBPZQMB-LBPRGKRZSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[NH+]1CCC(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000044526322 472315418 /nfs/dbraw/zinc/31/54/18/472315418.db2.gz KZAUOTVZNRRLQU-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044582400 472319167 /nfs/dbraw/zinc/31/91/67/472319167.db2.gz XIRADMYKPCPBCT-GJZGRUSLSA-N 1 0 333.432 2.622 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000044583107 472320531 /nfs/dbraw/zinc/32/05/31/472320531.db2.gz JNESXXTXSGILDB-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087407719 472334536 /nfs/dbraw/zinc/33/45/36/472334536.db2.gz JPGYFHMBAKARGN-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000044868650 472346160 /nfs/dbraw/zinc/34/61/60/472346160.db2.gz OYXMPTNRQMDJJP-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069469905 472350620 /nfs/dbraw/zinc/35/06/20/472350620.db2.gz FQENBLPTOFRREP-CFNZNRNTSA-N 1 0 335.379 2.595 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000088250814 472352048 /nfs/dbraw/zinc/35/20/48/472352048.db2.gz ANLLRMJXDYVSOJ-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088330051 472356686 /nfs/dbraw/zinc/35/66/86/472356686.db2.gz IMHBABNWTFETIU-UHFFFAOYSA-N 1 0 332.360 2.784 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000613390744 479986063 /nfs/dbraw/zinc/98/60/63/479986063.db2.gz YQLDCPZOKZNDHW-GDBMZVCRSA-N 1 0 330.384 2.728 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044997515 472362458 /nfs/dbraw/zinc/36/24/58/472362458.db2.gz MGTYIZIEZMHUEH-TZMCWYRMSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004724 472372971 /nfs/dbraw/zinc/37/29/71/472372971.db2.gz RXQKKEBFJNJXPJ-OAHLLOKOSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057039936 472377153 /nfs/dbraw/zinc/37/71/53/472377153.db2.gz IXBLMCOOBORJAA-HNNXBMFYSA-N 1 0 348.447 2.858 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000088714997 472381014 /nfs/dbraw/zinc/38/10/14/472381014.db2.gz PGPRHXMBRWAFML-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000154170356 472397078 /nfs/dbraw/zinc/39/70/78/472397078.db2.gz KERONHBJUYLQCD-AWEZNQCLSA-N 1 0 337.395 2.974 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128092102 472398789 /nfs/dbraw/zinc/39/87/89/472398789.db2.gz KURLDJYNVSXHCJ-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076795364 472404618 /nfs/dbraw/zinc/40/46/18/472404618.db2.gz BWDQDGSRWWKIIC-ZDUSSCGKSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076799123 472404993 /nfs/dbraw/zinc/40/49/93/472404993.db2.gz HFABRMZPYCBQAS-ZIAGYGMSSA-N 1 0 348.447 2.864 20 5 EFBDRO COc1cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613390001 479985798 /nfs/dbraw/zinc/98/57/98/479985798.db2.gz PNAFICCZFIYTSS-WBMJQRKESA-N 1 0 348.374 2.997 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000154331624 472418864 /nfs/dbraw/zinc/41/88/64/472418864.db2.gz CHCZIXCSZHCVGO-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154490786 472438890 /nfs/dbraw/zinc/43/88/90/472438890.db2.gz QZXDDOCYCAAQLM-KRWDZBQOSA-N 1 0 348.491 2.972 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000089513244 472452537 /nfs/dbraw/zinc/45/25/37/472452537.db2.gz KRJGVGCNEZZXPN-UHFFFAOYSA-N 1 0 326.400 2.744 20 5 EFBDRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032732210 472458745 /nfs/dbraw/zinc/45/87/45/472458745.db2.gz VQQFTMFHGKAGNI-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089602714 472467885 /nfs/dbraw/zinc/46/78/85/472467885.db2.gz PIVYTIYOIKCGLE-ZDUSSCGKSA-N 1 0 325.796 2.913 20 5 EFBDRO CCOc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089602845 472468062 /nfs/dbraw/zinc/46/80/62/472468062.db2.gz WEAVWWYWYHIMRD-OAHLLOKOSA-N 1 0 335.404 2.659 20 5 EFBDRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032781231 472468326 /nfs/dbraw/zinc/46/83/26/472468326.db2.gz REOUHLOVLCMXKR-OAHLLOKOSA-N 1 0 343.383 2.636 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000128568415 472469041 /nfs/dbraw/zinc/46/90/41/472469041.db2.gz NGBUSFZIAVEXDH-LBPRGKRZSA-N 1 0 336.779 2.598 20 5 EFBDRO C[NH+](C)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000032806315 472469003 /nfs/dbraw/zinc/46/90/03/472469003.db2.gz XKCWJWPQWFMWDZ-OAHLLOKOSA-N 1 0 339.399 2.827 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618317 472469985 /nfs/dbraw/zinc/46/99/85/472469985.db2.gz QEFNQVHBVMPPDT-CMPLNLGQSA-N 1 0 345.321 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644898 472477938 /nfs/dbraw/zinc/47/79/38/472477938.db2.gz PRHDQUYDMNGAPB-CVEARBPZSA-N 1 0 327.384 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000032923423 472481588 /nfs/dbraw/zinc/48/15/88/472481588.db2.gz RPFBSKKWMUOBNC-MRXNPFEDSA-N 1 0 345.374 2.565 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033026591 472490374 /nfs/dbraw/zinc/49/03/74/472490374.db2.gz ZAIUSFGPPKADOM-AWEZNQCLSA-N 1 0 333.413 2.618 20 5 EFBDRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000033083738 472495280 /nfs/dbraw/zinc/49/52/80/472495280.db2.gz XDATXHDVSWBLAI-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000077303535 472497135 /nfs/dbraw/zinc/49/71/35/472497135.db2.gz LHFCTXGOCBNYRD-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000046037910 472501187 /nfs/dbraw/zinc/50/11/87/472501187.db2.gz DXEWMWCVJQCONT-UHFFFAOYSA-N 1 0 343.383 2.501 20 5 EFBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cccc1[N+](=O)[O-] ZINC000128855875 472505014 /nfs/dbraw/zinc/50/50/14/472505014.db2.gz OHBOWIXAWIAGJB-ZDUSSCGKSA-N 1 0 343.383 2.618 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000118987794 472517602 /nfs/dbraw/zinc/51/76/02/472517602.db2.gz DAOMDSNHTOCMJG-CVEARBPZSA-N 1 0 331.416 2.714 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000058223286 472521029 /nfs/dbraw/zinc/52/10/29/472521029.db2.gz ISZYMRWHXQRDGZ-BQYQJAHWSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119062570 472522666 /nfs/dbraw/zinc/52/26/66/472522666.db2.gz FHYOBBBGYFFNMK-CQSZACIVSA-N 1 0 334.420 2.616 20 5 EFBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909645 472543670 /nfs/dbraw/zinc/54/36/70/472543670.db2.gz QPHYVAFERSDXTM-KRWDZBQOSA-N 1 0 345.355 2.635 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000155403821 472544886 /nfs/dbraw/zinc/54/48/86/472544886.db2.gz NOVJSOUAAHQNEV-WFASDCNBSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000089927767 472547426 /nfs/dbraw/zinc/54/74/26/472547426.db2.gz CKIPNCHBHJTGQC-DZGCQCFKSA-N 1 0 345.399 2.885 20 5 EFBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000089927774 472548302 /nfs/dbraw/zinc/54/83/02/472548302.db2.gz CKIPNCHBHJTGQC-HIFRSBDPSA-N 1 0 345.399 2.885 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000046479056 472562585 /nfs/dbraw/zinc/56/25/85/472562585.db2.gz URPLGGWHQDMGCU-INIZCTEOSA-N 1 0 345.374 2.565 20 5 EFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000119586634 472567103 /nfs/dbraw/zinc/56/71/03/472567103.db2.gz NYQTUWYEBSPGAY-BXUZGUMPSA-N 1 0 337.807 2.739 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000155580482 472573563 /nfs/dbraw/zinc/57/35/63/472573563.db2.gz RJRQKVJZNQYTRQ-PBHICJAKSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCn1cnnc1C1CC1)C1CC1 ZINC000090032386 472583165 /nfs/dbraw/zinc/58/31/65/472583165.db2.gz IEOFGLOMMHPIGC-MRXNPFEDSA-N 1 0 341.415 2.675 20 5 EFBDRO C[C@H](CCN1CCOCC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047005 472586590 /nfs/dbraw/zinc/58/65/90/472586590.db2.gz SWFJXDLTEBNPIO-QAPCUYQASA-N 1 0 347.459 2.616 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000046722081 472589711 /nfs/dbraw/zinc/58/97/11/472589711.db2.gz ZVFAYSKIOGDRRR-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000119856273 472592773 /nfs/dbraw/zinc/59/27/73/472592773.db2.gz FUTXCVBDHOCOSE-UWVGGRQHSA-N 1 0 338.795 2.995 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000119856597 472592801 /nfs/dbraw/zinc/59/28/01/472592801.db2.gz FUTXCVBDHOCOSE-VHSXEESVSA-N 1 0 338.795 2.995 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000155741169 472606026 /nfs/dbraw/zinc/60/60/26/472606026.db2.gz MXHHNQBQCBIDAY-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000071952821 472625066 /nfs/dbraw/zinc/62/50/66/472625066.db2.gz RXBLOMLMDKERRJ-OAHLLOKOSA-N 1 0 329.404 2.713 20 5 EFBDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525519 472629970 /nfs/dbraw/zinc/62/99/70/472629970.db2.gz JYEMQPJYRDAAKX-MRXNPFEDSA-N 1 0 343.383 2.602 20 5 EFBDRO COc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059890564 472631191 /nfs/dbraw/zinc/63/11/91/472631191.db2.gz NNJWCJDXHAJDMM-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059890562 472631288 /nfs/dbraw/zinc/63/12/88/472631288.db2.gz NNJWCJDXHAJDMM-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OCC ZINC000090538975 472631885 /nfs/dbraw/zinc/63/18/85/472631885.db2.gz GGUOEXBQUJUFKB-ZDUSSCGKSA-N 1 0 348.403 2.940 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000090539660 472632051 /nfs/dbraw/zinc/63/20/51/472632051.db2.gz DMTCSQFKLMQQOD-RHSMWYFYSA-N 1 0 330.388 2.549 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000090539657 472632629 /nfs/dbraw/zinc/63/26/29/472632629.db2.gz DMTCSQFKLMQQOD-YOEHRIQHSA-N 1 0 330.388 2.549 20 5 EFBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549329 472633052 /nfs/dbraw/zinc/63/30/52/472633052.db2.gz NKIUKKUDCOTLRE-KRWDZBQOSA-N 1 0 327.384 2.766 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000090549817 472633156 /nfs/dbraw/zinc/63/31/56/472633156.db2.gz DPQWUDSTFHBTTR-MRXNPFEDSA-N 1 0 345.424 2.547 20 5 EFBDRO Cc1ccc(C(C)(C)C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550852 472634018 /nfs/dbraw/zinc/63/40/18/472634018.db2.gz WGSIKBLMYIPBGR-UHFFFAOYSA-N 1 0 343.427 2.975 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000060060390 472634618 /nfs/dbraw/zinc/63/46/18/472634618.db2.gz KXPMTFABNFOJTF-UHFFFAOYSA-N 1 0 327.384 2.977 20 5 EFBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CCC2 ZINC000090554301 472634915 /nfs/dbraw/zinc/63/49/15/472634915.db2.gz YYOGYAJWIJFSMF-CQSZACIVSA-N 1 0 348.428 2.531 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000103454011 472635844 /nfs/dbraw/zinc/63/58/44/472635844.db2.gz YDISHTVTOYBRTG-UHFFFAOYSA-N 1 0 346.431 2.583 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046991521 472636386 /nfs/dbraw/zinc/63/63/86/472636386.db2.gz RMWQLCLFOJRFLT-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090610778 472642151 /nfs/dbraw/zinc/64/21/51/472642151.db2.gz KPGWMQQSOZCRFE-MRRJBJDNSA-N 1 0 346.431 2.970 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060395428 472650789 /nfs/dbraw/zinc/65/07/89/472650789.db2.gz MQTSELYFQZGGNZ-UHFFFAOYSA-N 1 0 325.434 2.849 20 5 EFBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156058043 472660719 /nfs/dbraw/zinc/66/07/19/472660719.db2.gz NPFMCGIPKUWKDN-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000047148523 472661819 /nfs/dbraw/zinc/66/18/19/472661819.db2.gz IGHJJQJXDUKFJH-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO CCOC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000060485109 472662067 /nfs/dbraw/zinc/66/20/67/472662067.db2.gz RKHOGZWFGHREBQ-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO CCOc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000060500091 472662439 /nfs/dbraw/zinc/66/24/39/472662439.db2.gz NGKUVBXMHMXNHP-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000090909972 472664274 /nfs/dbraw/zinc/66/42/74/472664274.db2.gz IBENAPWLBUKRMA-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579483 472669617 /nfs/dbraw/zinc/66/96/17/472669617.db2.gz IQRIRXQTFWCBTC-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047214065 472671571 /nfs/dbraw/zinc/67/15/71/472671571.db2.gz SJAAQWPKZZEADB-HNNXBMFYSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000060634979 472673471 /nfs/dbraw/zinc/67/34/71/472673471.db2.gz HJBNAWGRUQBJSQ-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047260421 472678218 /nfs/dbraw/zinc/67/82/18/472678218.db2.gz XERRPUWCCHEMMC-OAHLLOKOSA-N 1 0 340.383 2.841 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCOCC1 ZINC000078259988 472683671 /nfs/dbraw/zinc/68/36/71/472683671.db2.gz FUCLLMBXKXMZOO-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000072595115 472684238 /nfs/dbraw/zinc/68/42/38/472684238.db2.gz NQTZDVLHBAWZCD-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120447656 472690707 /nfs/dbraw/zinc/69/07/07/472690707.db2.gz GFOGVLWLDPOBCH-QWHCGFSZSA-N 1 0 347.415 2.683 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000061231903 472694749 /nfs/dbraw/zinc/69/47/49/472694749.db2.gz VAKCCXKJWRIKGE-FMIVXFBMSA-N 1 0 339.395 2.986 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000156351752 472696142 /nfs/dbraw/zinc/69/61/42/472696142.db2.gz FUAFOHJASKDIMZ-UHFFFAOYSA-N 1 0 345.399 2.711 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCCn3cccn3)C2)nc1 ZINC000072665220 472696839 /nfs/dbraw/zinc/69/68/39/472696839.db2.gz ZRJNQMXOKFLOEF-HNNXBMFYSA-N 1 0 344.419 2.543 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759014 472711001 /nfs/dbraw/zinc/71/10/01/472711001.db2.gz UTDZBLPLNZVKJX-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072759012 472711299 /nfs/dbraw/zinc/71/12/99/472711299.db2.gz IYLLGAXMKNDORJ-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCOCC1 ZINC000120561448 472711731 /nfs/dbraw/zinc/71/17/31/472711731.db2.gz BJFMKMKVNKJCMF-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156473099 472712224 /nfs/dbraw/zinc/71/22/24/472712224.db2.gz XPZSYAJIMNPGHI-CYBMUJFWSA-N 1 0 342.399 2.557 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078425052 472714167 /nfs/dbraw/zinc/71/41/67/472714167.db2.gz DIUGCPKBWNHODI-CYBMUJFWSA-N 1 0 334.376 2.815 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453604 472715554 /nfs/dbraw/zinc/71/55/54/472715554.db2.gz TUQGPUVLARZQCY-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+](C)C1CC1 ZINC000120589395 472716082 /nfs/dbraw/zinc/71/60/82/472716082.db2.gz OFGZFKTWURLVKR-CYBMUJFWSA-N 1 0 346.431 2.752 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000078442943 472716600 /nfs/dbraw/zinc/71/66/00/472716600.db2.gz AQGYGOULRMLRNZ-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120615535 472717438 /nfs/dbraw/zinc/71/74/38/472717438.db2.gz WKSJSZZNUJTDPV-WBMJQRKESA-N 1 0 346.431 2.581 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072809096 472719049 /nfs/dbraw/zinc/71/90/49/472719049.db2.gz BVAJDEKKVIMZNN-KBPBESRZSA-N 1 0 334.420 2.650 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120625960 472721540 /nfs/dbraw/zinc/72/15/40/472721540.db2.gz YIMIELVLGCPNFH-HUUCEWRRSA-N 1 0 335.448 2.605 20 5 EFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078522422 472728292 /nfs/dbraw/zinc/72/82/92/472728292.db2.gz GZSQKJZSICEHPC-GFCCVEGCSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898532 472737801 /nfs/dbraw/zinc/73/78/01/472737801.db2.gz SSKSTQSSOAGOGK-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000156690491 472741063 /nfs/dbraw/zinc/74/10/63/472741063.db2.gz VWOOTVQVONAQJM-OAHLLOKOSA-N 1 0 349.431 2.682 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120780985 472746146 /nfs/dbraw/zinc/74/61/46/472746146.db2.gz MGZCIZRVFNKFLS-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000105442944 472752763 /nfs/dbraw/zinc/75/27/63/472752763.db2.gz AZRKSHFSLNFBMA-LBPRGKRZSA-N 1 0 348.403 2.543 20 5 EFBDRO COCCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000105448223 472752922 /nfs/dbraw/zinc/75/29/22/472752922.db2.gz WMMUWEZGZQGQNX-UHFFFAOYSA-N 1 0 330.384 2.952 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000105599379 472761133 /nfs/dbraw/zinc/76/11/33/472761133.db2.gz BOLMUJNTIMNJDS-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000091457822 472769527 /nfs/dbraw/zinc/76/95/27/472769527.db2.gz PCCMLPFRNOZUAS-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)OCC)c2)C1 ZINC000091457810 472769586 /nfs/dbraw/zinc/76/95/86/472769586.db2.gz GFVLZOJPSAJTGP-CYBMUJFWSA-N 1 0 335.404 2.915 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000091483029 472772645 /nfs/dbraw/zinc/77/26/45/472772645.db2.gz KACWTWXNJBOHIX-AWEZNQCLSA-N 1 0 346.431 2.585 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000157037151 472777952 /nfs/dbraw/zinc/77/79/52/472777952.db2.gz OTLLUJBYOZIMEW-ZFWWWQNUSA-N 1 0 348.447 2.544 20 5 EFBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000157071112 472782154 /nfs/dbraw/zinc/78/21/54/472782154.db2.gz ZYEHYRMPXAFGKV-JTQLQIEISA-N 1 0 349.774 2.815 20 5 EFBDRO COc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000047925571 472782218 /nfs/dbraw/zinc/78/22/18/472782218.db2.gz NFIMVRZQJPLSLU-UHFFFAOYSA-N 1 0 349.431 2.682 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCC1 ZINC000063496302 472782961 /nfs/dbraw/zinc/78/29/61/472782961.db2.gz VQDDBSIMYTVMEE-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000121031422 472786486 /nfs/dbraw/zinc/78/64/86/472786486.db2.gz QTGLJFRANZOZDQ-UHFFFAOYSA-N 1 0 344.415 2.992 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073247497 472788888 /nfs/dbraw/zinc/78/88/88/472788888.db2.gz ZOBCOTGQPOTJPZ-UHFFFAOYSA-N 1 0 349.431 2.558 20 5 EFBDRO CCc1nn(C)c(NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000091678788 472791418 /nfs/dbraw/zinc/79/14/18/472791418.db2.gz WGWIMDZDKODGKO-UHFFFAOYSA-N 1 0 335.383 2.704 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000073276794 472791576 /nfs/dbraw/zinc/79/15/76/472791576.db2.gz VDMFBZIIWQRHHW-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCc1nn(C)c(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091739539 472800154 /nfs/dbraw/zinc/80/01/54/472800154.db2.gz BDDLKVLPXRTQRG-HIFRSBDPSA-N 1 0 343.431 2.966 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063758208 472811086 /nfs/dbraw/zinc/81/10/86/472811086.db2.gz XUWWJWCHVLGHJW-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000063778343 472812710 /nfs/dbraw/zinc/81/27/10/472812710.db2.gz XAAGNXVHRRZAIO-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063778360 472813379 /nfs/dbraw/zinc/81/33/79/472813379.db2.gz AQPLHCWKYULJRY-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1nccs1 ZINC000157428335 472820038 /nfs/dbraw/zinc/82/00/38/472820038.db2.gz VUUNJZJYEFCUHE-UHFFFAOYSA-N 1 0 348.428 2.863 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091898706 472823972 /nfs/dbraw/zinc/82/39/72/472823972.db2.gz CTWKFLUGALDYDI-PBHICJAKSA-N 1 0 344.415 2.588 20 5 EFBDRO CSc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000157482157 472825562 /nfs/dbraw/zinc/82/55/62/472825562.db2.gz UQHMMGFLNMOJFV-HNNXBMFYSA-N 1 0 325.434 2.810 20 5 EFBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000133673097 472829870 /nfs/dbraw/zinc/82/98/70/472829870.db2.gz FZERDYVOVZROMD-AWEZNQCLSA-N 1 0 337.420 2.539 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079198379 472830909 /nfs/dbraw/zinc/83/09/09/472830909.db2.gz LTVGTXQHFPGQHI-UHFFFAOYSA-N 1 0 349.431 2.600 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064309937 472841424 /nfs/dbraw/zinc/84/14/24/472841424.db2.gz PGJVQIQCGRLMBN-RMKNXTFCSA-N 1 0 331.416 2.941 20 5 EFBDRO COc1cc(CSCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000157914768 472873397 /nfs/dbraw/zinc/87/33/97/472873397.db2.gz XQNBNURCOYQAPM-UHFFFAOYSA-N 1 0 336.360 3.000 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(C(=O)C2CC2)CC1 ZINC000121571851 472873837 /nfs/dbraw/zinc/87/38/37/472873837.db2.gz PHPBQDGXPPTYHM-CQSZACIVSA-N 1 0 331.416 2.909 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000121582739 472874993 /nfs/dbraw/zinc/87/49/93/472874993.db2.gz UIZHOCKKDPLLCH-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000064806171 472877701 /nfs/dbraw/zinc/87/77/01/472877701.db2.gz KZWDBVHSXIHBDI-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC000073861657 472889326 /nfs/dbraw/zinc/88/93/26/472889326.db2.gz QMLZJDQVUGVTHS-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000121724371 472900390 /nfs/dbraw/zinc/90/03/90/472900390.db2.gz QLDLTRDTXRRUAS-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)C(C)(C)C ZINC000134392724 472902426 /nfs/dbraw/zinc/90/24/26/472902426.db2.gz FSEBQAFLPYCHIH-CYBMUJFWSA-N 1 0 343.811 2.526 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000065208741 472906712 /nfs/dbraw/zinc/90/67/12/472906712.db2.gz YIIFSWANMQRZOZ-MRXNPFEDSA-N 1 0 344.367 2.745 20 5 EFBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000065202067 472907774 /nfs/dbraw/zinc/90/77/74/472907774.db2.gz LOZFJPDYJHUWQD-INIZCTEOSA-N 1 0 343.431 2.961 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[NH2+][C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000092454983 472915098 /nfs/dbraw/zinc/91/50/98/472915098.db2.gz OSAYWMQJEUGZQW-LBPRGKRZSA-N 1 0 331.372 2.657 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000121841626 472927280 /nfs/dbraw/zinc/92/72/80/472927280.db2.gz JRSHFBOOXLERCK-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134607606 472937123 /nfs/dbraw/zinc/93/71/23/472937123.db2.gz WLEJHZIWJQLZFP-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000080117168 472978968 /nfs/dbraw/zinc/97/89/68/472978968.db2.gz JJMAVSSNBLTIKM-LBPRGKRZSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000080117174 472979029 /nfs/dbraw/zinc/97/90/29/472979029.db2.gz JJMAVSSNBLTIKM-GFCCVEGCSA-N 1 0 334.420 2.612 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134865838 472979109 /nfs/dbraw/zinc/97/91/09/472979109.db2.gz MNNUZQGVTNNEJN-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092757477 472981110 /nfs/dbraw/zinc/98/11/10/472981110.db2.gz PJXJKUHFUXHZGB-CQSZACIVSA-N 1 0 341.358 2.866 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCOC1 ZINC000107800427 472983131 /nfs/dbraw/zinc/98/31/31/472983131.db2.gz KMVCJNUZCFOACM-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000074330940 472991469 /nfs/dbraw/zinc/99/14/69/472991469.db2.gz VOTMTACDVCEVBE-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000122253645 472993043 /nfs/dbraw/zinc/99/30/43/472993043.db2.gz ZNUVCQUDOXDFRU-YJBOKZPZSA-N 1 0 335.448 2.992 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000159148336 473001271 /nfs/dbraw/zinc/00/12/71/473001271.db2.gz WZTAMFVLPDBZKL-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000159192779 473006720 /nfs/dbraw/zinc/00/67/20/473006720.db2.gz NDGSOFDBWYRWRD-OAHLLOKOSA-N 1 0 333.413 2.575 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448223 473009211 /nfs/dbraw/zinc/00/92/11/473009211.db2.gz AHXSFNOUQHMKGO-HNNXBMFYSA-N 1 0 343.383 2.924 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122409809 473011659 /nfs/dbraw/zinc/01/16/59/473011659.db2.gz GEGCXFVEIZNMRX-SFHVURJKSA-N 1 0 341.411 2.806 20 5 EFBDRO [NH3+]C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000122464184 473018004 /nfs/dbraw/zinc/01/80/04/473018004.db2.gz HHKMTBKRNWETLN-UHFFFAOYSA-N 1 0 337.445 2.855 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058437 473021571 /nfs/dbraw/zinc/02/15/71/473021571.db2.gz KRQBENMOTFFGNY-MRXNPFEDSA-N 1 0 333.432 2.766 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000065868472 473021893 /nfs/dbraw/zinc/02/18/93/473021893.db2.gz XBAUWOHTRGEWAO-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051057535 473022233 /nfs/dbraw/zinc/02/22/33/473022233.db2.gz WDHGRBCSXRKZGH-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000051154053 473028461 /nfs/dbraw/zinc/02/84/61/473028461.db2.gz TXAZLAMPORXCFL-UHFFFAOYSA-N 1 0 327.384 2.665 20 5 EFBDRO CC1CC[NH+](CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000135184664 473033361 /nfs/dbraw/zinc/03/33/61/473033361.db2.gz PCGZXXVUKZSZLT-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135209812 473036275 /nfs/dbraw/zinc/03/62/75/473036275.db2.gz AKAXHTFZJLBOMM-ONGXEEELSA-N 1 0 329.194 2.872 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000080474066 473037090 /nfs/dbraw/zinc/03/70/90/473037090.db2.gz PEAHXVIUPSSKFM-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000135231607 473040502 /nfs/dbraw/zinc/04/05/02/473040502.db2.gz BKAPAUYYQUFCLO-UHFFFAOYSA-N 1 0 331.416 2.962 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000066127308 473047042 /nfs/dbraw/zinc/04/70/42/473047042.db2.gz KSKCVVIVEPOECM-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000066137281 473047805 /nfs/dbraw/zinc/04/78/05/473047805.db2.gz FGODLIPDDMZGRV-QWHCGFSZSA-N 1 0 339.461 2.922 20 5 EFBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051430204 473047950 /nfs/dbraw/zinc/04/79/50/473047950.db2.gz IFFGFNYGNSHVPV-KRWDZBQOSA-N 1 0 345.399 2.640 20 5 EFBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000080598777 473052607 /nfs/dbraw/zinc/05/26/07/473052607.db2.gz AKIOICZZPVIPEM-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000074746547 473056232 /nfs/dbraw/zinc/05/62/32/473056232.db2.gz MBHAJJZHKIMBEK-HUUCEWRRSA-N 1 0 348.447 2.624 20 5 EFBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159749355 473057558 /nfs/dbraw/zinc/05/75/58/473057558.db2.gz MSIYEGPXXFDPHN-AWEZNQCLSA-N 1 0 333.413 2.827 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000074857236 473080781 /nfs/dbraw/zinc/08/07/81/473080781.db2.gz WFDPAWOMUVGRSW-UHFFFAOYSA-N 1 0 336.436 2.903 20 5 EFBDRO C[NH+]1CCN(Cc2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000052211380 473094902 /nfs/dbraw/zinc/09/49/02/473094902.db2.gz VPLQLOZSJGGYSX-UHFFFAOYSA-N 1 0 340.427 2.954 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000066454318 473097917 /nfs/dbraw/zinc/09/79/17/473097917.db2.gz XFIXTZONPUCEBJ-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO Cn1cc(C[N@H+](CCCCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093382999 473098866 /nfs/dbraw/zinc/09/88/66/473098866.db2.gz OCFZDNBTFKEWTI-UHFFFAOYSA-N 1 0 344.415 2.732 20 5 EFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000160272906 473103689 /nfs/dbraw/zinc/10/36/89/473103689.db2.gz FGJJVTAIMPGLTR-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080959060 473111028 /nfs/dbraw/zinc/11/10/28/473111028.db2.gz UABKFQRPKJLOCX-CYBMUJFWSA-N 1 0 343.387 2.526 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000075007441 473111114 /nfs/dbraw/zinc/11/11/14/473111114.db2.gz AGJOSTPCFJSHNN-UHFFFAOYSA-N 1 0 341.477 2.979 20 5 EFBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000135763926 473111981 /nfs/dbraw/zinc/11/19/81/473111981.db2.gz YJSABYYVCWNMSF-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000075063926 473119426 /nfs/dbraw/zinc/11/94/26/473119426.db2.gz QZZYSMVIEKWNTP-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000052556248 473123650 /nfs/dbraw/zinc/12/36/50/473123650.db2.gz CVUFTLZFWXWWNT-RDTXWAMCSA-N 1 0 348.447 2.905 20 5 EFBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613536 473125511 /nfs/dbraw/zinc/12/55/11/473125511.db2.gz QXYUWOKTFLBGNB-SJORKVTESA-N 1 0 334.416 2.655 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000052641296 473136129 /nfs/dbraw/zinc/13/61/29/473136129.db2.gz GXQWYJTVVVLVHV-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000052719467 473141981 /nfs/dbraw/zinc/14/19/81/473141981.db2.gz HDZNLPPKIMOJDF-ZDUSSCGKSA-N 1 0 343.412 2.797 20 5 EFBDRO Cc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093769591 473143105 /nfs/dbraw/zinc/14/31/05/473143105.db2.gz PYEUBOKCMWKHON-UHFFFAOYSA-N 1 0 335.448 2.693 20 5 EFBDRO C[N@H+](CCCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052802733 473148562 /nfs/dbraw/zinc/14/85/62/473148562.db2.gz FDMSYLMYTJJSAC-UHFFFAOYSA-N 1 0 327.384 2.758 20 5 EFBDRO Cc1noc([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000052863650 473156006 /nfs/dbraw/zinc/15/60/06/473156006.db2.gz VRANCZJYTUVOSY-ZDUSSCGKSA-N 1 0 332.360 2.545 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123665638 473171929 /nfs/dbraw/zinc/17/19/29/473171929.db2.gz JTGDZCBSMHXQTO-INIZCTEOSA-N 1 0 328.416 2.826 20 5 EFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136821741 473178327 /nfs/dbraw/zinc/17/83/27/473178327.db2.gz PCDKYKUFTCCADW-MRXNPFEDSA-N 1 0 344.367 2.879 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000081334783 473186707 /nfs/dbraw/zinc/18/67/07/473186707.db2.gz DXUYMZQAMUUWDI-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO C[N@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000136945263 473186778 /nfs/dbraw/zinc/18/67/78/473186778.db2.gz KYGOYVSSKRMWKK-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000053145786 473188757 /nfs/dbraw/zinc/18/87/57/473188757.db2.gz CHTDQFRHGJAWJB-UHFFFAOYSA-N 1 0 334.401 2.820 20 5 EFBDRO CC(C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+]1CCOCC1 ZINC000075469901 473189568 /nfs/dbraw/zinc/18/95/68/473189568.db2.gz MNULSXIWIRTAOZ-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000081364148 473192038 /nfs/dbraw/zinc/19/20/38/473192038.db2.gz NCZAJLDYXSTIRV-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000137076107 473193309 /nfs/dbraw/zinc/19/33/09/473193309.db2.gz AAEXZEJSZXGGKX-SFHVURJKSA-N 1 0 333.432 2.579 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000081421996 473197871 /nfs/dbraw/zinc/19/78/71/473197871.db2.gz SIODNNRFARYFCD-UHFFFAOYSA-N 1 0 337.445 2.559 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000177540206 473395790 /nfs/dbraw/zinc/39/57/90/473395790.db2.gz FAYCCTFIIWOCIC-CABCVRRESA-N 1 0 346.431 2.772 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177533953 473395802 /nfs/dbraw/zinc/39/58/02/473395802.db2.gz XFBQOQCRWLLIAU-NEPJUHHUSA-N 1 0 337.445 2.919 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000151035581 473400181 /nfs/dbraw/zinc/40/01/81/473400181.db2.gz XXYLPNNDBAQUEJ-SFHVURJKSA-N 1 0 345.443 2.764 20 5 EFBDRO CCC[N@H+](CC)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000177580076 473403117 /nfs/dbraw/zinc/40/31/17/473403117.db2.gz HTIYLGKPLLRUEA-UHFFFAOYSA-N 1 0 345.447 2.817 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125400570 473404839 /nfs/dbraw/zinc/40/48/39/473404839.db2.gz BIAKPGOBMGMVLD-AWEZNQCLSA-N 1 0 349.431 2.732 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177685057 473416890 /nfs/dbraw/zinc/41/68/90/473416890.db2.gz QADJRDUZPFNGCM-HNNXBMFYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000185428531 473423863 /nfs/dbraw/zinc/42/38/63/473423863.db2.gz AARIJLBZDXZKLO-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO CC(C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000171665579 473433420 /nfs/dbraw/zinc/43/34/20/473433420.db2.gz UNGVEFUBUXFZIA-MRXNPFEDSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000151266629 473435164 /nfs/dbraw/zinc/43/51/64/473435164.db2.gz RRFPGJDSUWMYEQ-QGZVFWFLSA-N 1 0 348.447 2.586 20 5 EFBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000125673926 473444532 /nfs/dbraw/zinc/44/45/32/473444532.db2.gz JKEJHTSYJVFKNH-QGZVFWFLSA-N 1 0 345.399 2.640 20 5 EFBDRO COc1cccc(N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000185522596 473449191 /nfs/dbraw/zinc/44/91/91/473449191.db2.gz CMYGXPUNAANOBC-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000163601034 473457412 /nfs/dbraw/zinc/45/74/12/473457412.db2.gz JIEWZBKHRRKBPJ-INIZCTEOSA-N 1 0 333.432 2.622 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000163791070 473465333 /nfs/dbraw/zinc/46/53/33/473465333.db2.gz HYAMUTBUVOBNOZ-HNNXBMFYSA-N 1 0 333.432 2.682 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000125981119 473477165 /nfs/dbraw/zinc/47/71/65/473477165.db2.gz QPHDRRMFGNDPOM-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000185650508 473478393 /nfs/dbraw/zinc/47/83/93/473478393.db2.gz XLECTSQNPUIZSB-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000185655732 473481044 /nfs/dbraw/zinc/48/10/44/473481044.db2.gz CXOPCNDCKDSRRM-UHFFFAOYSA-N 1 0 331.376 2.503 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178330570 473492304 /nfs/dbraw/zinc/49/23/04/473492304.db2.gz MCVWTFANVXWQQF-HZPDHXFCSA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000178329803 473492624 /nfs/dbraw/zinc/49/26/24/473492624.db2.gz LRDXTICJSQMVLE-DOTOQJQBSA-N 1 0 335.448 2.911 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331147 473492812 /nfs/dbraw/zinc/49/28/12/473492812.db2.gz PCUDECDIVNUQEI-QZTJIDSGSA-N 1 0 335.448 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000185708769 473493754 /nfs/dbraw/zinc/49/37/54/473493754.db2.gz YPQCMDGQZLZQFL-UHFFFAOYSA-N 1 0 327.384 2.910 20 5 EFBDRO COC(=O)c1cccc(OCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000164672578 473495810 /nfs/dbraw/zinc/49/58/10/473495810.db2.gz AKXRFAFOLFXETB-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000126200157 473497977 /nfs/dbraw/zinc/49/79/77/473497977.db2.gz YXSOEODJVIRDTO-GWCFXTLKSA-N 1 0 325.796 2.660 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC000114726463 473499192 /nfs/dbraw/zinc/49/91/92/473499192.db2.gz UQDNRMOSALCCJB-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC000114726465 473499246 /nfs/dbraw/zinc/49/92/46/473499246.db2.gz UQDNRMOSALCCJB-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000185753727 473505904 /nfs/dbraw/zinc/50/59/04/473505904.db2.gz WESHHXUCNFGOOC-UHFFFAOYSA-N 1 0 348.447 2.952 20 5 EFBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)oc1C ZINC000172053004 473511317 /nfs/dbraw/zinc/51/13/17/473511317.db2.gz FSWQFMJPYRRNEO-UHFFFAOYSA-N 1 0 332.356 2.957 20 5 EFBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185803466 473518956 /nfs/dbraw/zinc/51/89/56/473518956.db2.gz DDBITBYMBSLTAZ-INIZCTEOSA-N 1 0 327.384 2.593 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000126504007 473521500 /nfs/dbraw/zinc/52/15/00/473521500.db2.gz ULZUEVFEXWPSMS-GZBFAFLISA-N 1 0 346.431 2.889 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000126504537 473522037 /nfs/dbraw/zinc/52/20/37/473522037.db2.gz ULZUEVFEXWPSMS-GUTXKFCHSA-N 1 0 346.431 2.889 20 5 EFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191367971 473531764 /nfs/dbraw/zinc/53/17/64/473531764.db2.gz FQGPIRACYQOHAT-JKSUJKDBSA-N 1 0 349.431 2.741 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152207799 473536868 /nfs/dbraw/zinc/53/68/68/473536868.db2.gz LPIHCFVMVUTYDQ-CQSZACIVSA-N 1 0 327.388 2.970 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126687264 473537158 /nfs/dbraw/zinc/53/71/58/473537158.db2.gz XNKVMUKFADLWRX-BLLLJJGKSA-N 1 0 347.390 2.823 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172252090 473561654 /nfs/dbraw/zinc/56/16/54/473561654.db2.gz QESGHNVXDQFVTK-HNNXBMFYSA-N 1 0 334.420 2.659 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000115439909 473570151 /nfs/dbraw/zinc/57/01/51/473570151.db2.gz WQRMXQNVQIRNRO-CFNZNRNTSA-N 1 0 335.379 2.547 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000115519806 473577963 /nfs/dbraw/zinc/57/79/63/473577963.db2.gz LAUIBATUKXPXSX-UHFFFAOYSA-N 1 0 327.812 2.531 20 5 EFBDRO COc1cc(C[N@@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000191815401 473579585 /nfs/dbraw/zinc/57/95/85/473579585.db2.gz DNIHACMUPRNQJT-LLVKDONJSA-N 1 0 326.418 2.939 20 5 EFBDRO CC[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000115576486 473584617 /nfs/dbraw/zinc/58/46/17/473584617.db2.gz ZXJWIKZBLMNFBU-CQSZACIVSA-N 1 0 331.372 2.903 20 5 EFBDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000191969660 473596607 /nfs/dbraw/zinc/59/66/07/473596607.db2.gz QJDCNCFNRBXKNJ-UHFFFAOYSA-N 1 0 349.431 2.951 20 5 EFBDRO Cc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172422596 473606324 /nfs/dbraw/zinc/60/63/24/473606324.db2.gz XDGQVKJOTFQEFO-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172422985 473607017 /nfs/dbraw/zinc/60/70/17/473607017.db2.gz CKCVJKGWXRTRAR-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192029284 473610759 /nfs/dbraw/zinc/61/07/59/473610759.db2.gz RVXYLZGHKQEOHL-UKRRQHHQSA-N 1 0 336.779 2.565 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192029302 473610844 /nfs/dbraw/zinc/61/08/44/473610844.db2.gz RVXYLZGHKQEOHL-ZFWWWQNUSA-N 1 0 336.779 2.565 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000179057680 473620808 /nfs/dbraw/zinc/62/08/08/473620808.db2.gz AOWFMHFNWBRFEK-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO CSCC[C@@H](C)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172500429 473625641 /nfs/dbraw/zinc/62/56/41/473625641.db2.gz AQZHUHXFNAJUPF-GFCCVEGCSA-N 1 0 348.428 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116128723 473629340 /nfs/dbraw/zinc/62/93/40/473629340.db2.gz QOMSUPQCYKNNLD-OAHLLOKOSA-N 1 0 337.420 2.700 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000127595950 473631228 /nfs/dbraw/zinc/63/12/28/473631228.db2.gz MKTDUKLUQQUBOD-UHFFFAOYSA-N 1 0 332.404 2.771 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186268860 473634154 /nfs/dbraw/zinc/63/41/54/473634154.db2.gz FKYFSNMUKWMZFT-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000153798148 473642677 /nfs/dbraw/zinc/64/26/77/473642677.db2.gz YDYWKCRPPQRIBU-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186322207 473649199 /nfs/dbraw/zinc/64/91/99/473649199.db2.gz KUQVHYDTKYKQKT-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC000172615039 473658260 /nfs/dbraw/zinc/65/82/60/473658260.db2.gz FBGSRXISGUUCTR-UHFFFAOYSA-N 1 0 327.384 2.929 20 5 EFBDRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186491179 473681583 /nfs/dbraw/zinc/68/15/83/473681583.db2.gz SDGAIJKHQZSEGS-UHFFFAOYSA-N 1 0 338.429 2.701 20 5 EFBDRO CSc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000192483451 473684583 /nfs/dbraw/zinc/68/45/83/473684583.db2.gz ZUAZDKMRPNDVRR-UHFFFAOYSA-N 1 0 325.434 2.634 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCC(O)CC2)cc1 ZINC000192498370 473685926 /nfs/dbraw/zinc/68/59/26/473685926.db2.gz HDCUIGYVBBFZBT-UHFFFAOYSA-N 1 0 345.403 2.824 20 5 EFBDRO CCOC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000186541497 473687875 /nfs/dbraw/zinc/68/78/75/473687875.db2.gz VKADQTORYHRSFN-UHFFFAOYSA-N 1 0 332.404 2.900 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000172834546 473690589 /nfs/dbraw/zinc/69/05/89/473690589.db2.gz GFNWKMMCVMDHIS-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172839413 473691380 /nfs/dbraw/zinc/69/13/80/473691380.db2.gz HMZBBHXVMGSTLY-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000186576897 473692755 /nfs/dbraw/zinc/69/27/55/473692755.db2.gz SRENLHHKDNCXPC-GOEBONIOSA-N 1 0 342.823 2.904 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192628435 473698124 /nfs/dbraw/zinc/69/81/24/473698124.db2.gz SMDBEZZXUYXNSN-OALUTQOASA-N 1 0 347.459 2.919 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269120875 473699541 /nfs/dbraw/zinc/69/95/41/473699541.db2.gz SROKVPIQTJFCMU-DOMZBBRYSA-N 1 0 343.383 2.897 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245439072 473699639 /nfs/dbraw/zinc/69/96/39/473699639.db2.gz FQFOLTSYNILHOE-GOEBONIOSA-N 1 0 348.447 2.728 20 5 EFBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172908499 473700848 /nfs/dbraw/zinc/70/08/48/473700848.db2.gz MNWLVIFHRQXYIN-KDOFPFPSSA-N 1 0 342.395 2.781 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000245446668 473703017 /nfs/dbraw/zinc/70/30/17/473703017.db2.gz LIINTOPFQOKGBE-CZUORRHYSA-N 1 0 329.400 2.748 20 5 EFBDRO COc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192683483 473704955 /nfs/dbraw/zinc/70/49/55/473704955.db2.gz WNKWSYZLUOITEV-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)(NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192686761 473706043 /nfs/dbraw/zinc/70/60/43/473706043.db2.gz BTBLXAMIRFUBTN-UHFFFAOYSA-N 1 0 331.416 2.821 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172968907 473716015 /nfs/dbraw/zinc/71/60/15/473716015.db2.gz PQTNIGXMWDNVMC-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172971102 473716751 /nfs/dbraw/zinc/71/67/51/473716751.db2.gz IAIXWZMUMZWIIH-BETUJISGSA-N 1 0 333.388 2.520 20 5 EFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192799230 473727772 /nfs/dbraw/zinc/72/77/72/473727772.db2.gz SWDYRKRKWBGNDM-WCQYABFASA-N 1 0 349.387 2.773 20 5 EFBDRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179811727 473731650 /nfs/dbraw/zinc/73/16/50/473731650.db2.gz QILIVGMBTVKFFV-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO CN(CCC[NH+]1CCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281493757 473739622 /nfs/dbraw/zinc/73/96/22/473739622.db2.gz XOIQACZWNDSBRH-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000192884639 473741602 /nfs/dbraw/zinc/74/16/02/473741602.db2.gz MBEXJAJTXVCAPB-KSSFIOAISA-N 1 0 333.432 2.530 20 5 EFBDRO COc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905996 473745603 /nfs/dbraw/zinc/74/56/03/473745603.db2.gz UOLHKAUPYPMGJI-CQSZACIVSA-N 1 0 346.387 2.722 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274176563 473753667 /nfs/dbraw/zinc/75/36/67/473753667.db2.gz NWWPLCJPSWVVPG-INIZCTEOSA-N 1 0 331.397 2.635 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269270061 473756490 /nfs/dbraw/zinc/75/64/90/473756490.db2.gz MAQUXYVMJYUQOP-ZJUUUORDSA-N 1 0 345.321 2.813 20 5 EFBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000193012653 473759846 /nfs/dbraw/zinc/75/98/46/473759846.db2.gz PPKPTWKIXUBFIW-CZUORRHYSA-N 1 0 331.416 2.961 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)n1 ZINC000287796742 473763113 /nfs/dbraw/zinc/76/31/13/473763113.db2.gz OGNKIOSUQQZMFC-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245972953 473768769 /nfs/dbraw/zinc/76/87/69/473768769.db2.gz WGNGESZVXYDEAA-KGLIPLIRSA-N 1 0 333.432 2.682 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179998452 473773314 /nfs/dbraw/zinc/77/33/14/473773314.db2.gz HLCZKWNSORJGJI-CVEARBPZSA-N 1 0 336.388 2.558 20 5 EFBDRO CSc1cccc(C(=O)N(CC[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000186877736 473773303 /nfs/dbraw/zinc/77/33/03/473773303.db2.gz YPXQPVPFUGIKBZ-UHFFFAOYSA-N 1 0 325.434 2.729 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281594714 473777828 /nfs/dbraw/zinc/77/78/28/473777828.db2.gz NUYLZCCYFSMXDO-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000193445002 473787623 /nfs/dbraw/zinc/78/76/23/473787623.db2.gz MYEBZRYPFYPTFD-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000173284638 473793464 /nfs/dbraw/zinc/79/34/64/473793464.db2.gz HIPLKJLTDYAYMS-GOSISDBHSA-N 1 0 341.411 2.865 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173286591 473794804 /nfs/dbraw/zinc/79/48/04/473794804.db2.gz SEMBSHVTNJCYKU-INIZCTEOSA-N 1 0 345.399 2.930 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000281655534 473796189 /nfs/dbraw/zinc/79/61/89/473796189.db2.gz KJJSCUCRFPLMJV-WCQYABFASA-N 1 0 339.367 2.562 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000281655531 473796997 /nfs/dbraw/zinc/79/69/97/473796997.db2.gz KJJSCUCRFPLMJV-DGCLKSJQSA-N 1 0 339.367 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287950607 473807320 /nfs/dbraw/zinc/80/73/20/473807320.db2.gz YCDXZYDJYMYDSV-SFHVURJKSA-N 1 0 343.383 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000193785802 473807943 /nfs/dbraw/zinc/80/79/43/473807943.db2.gz ALYLSRBNBKOLQW-MRXNPFEDSA-N 1 0 348.403 2.953 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173368289 473817499 /nfs/dbraw/zinc/81/74/99/473817499.db2.gz UUZMNLKGZGKJMA-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173383005 473820878 /nfs/dbraw/zinc/82/08/78/473820878.db2.gz XNEIQMOCCVGWML-RDTXWAMCSA-N 1 0 330.384 2.823 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173407199 473828535 /nfs/dbraw/zinc/82/85/35/473828535.db2.gz MWJPZWVOSFNGBJ-AWEZNQCLSA-N 1 0 327.384 2.604 20 5 EFBDRO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173427646 473835140 /nfs/dbraw/zinc/83/51/40/473835140.db2.gz LPDLFPZCVJOILX-HUUCEWRRSA-N 1 0 333.432 2.746 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281809394 473843998 /nfs/dbraw/zinc/84/39/98/473843998.db2.gz JEVOPLKJKLFOCP-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNc1ccccc1[N+](=O)[O-] ZINC000288093783 473845722 /nfs/dbraw/zinc/84/57/22/473845722.db2.gz AGLNBDVFHHLCKB-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269630570 473847798 /nfs/dbraw/zinc/84/77/98/473847798.db2.gz FKHJILDTPJVJMD-KRWDZBQOSA-N 1 0 331.416 2.960 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3c(F)ccc(F)c3C2)c1 ZINC000269631547 473848081 /nfs/dbraw/zinc/84/80/81/473848081.db2.gz FTVRGEZRODZBQC-KRWDZBQOSA-N 1 0 334.322 2.965 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000281838272 473853958 /nfs/dbraw/zinc/85/39/58/473853958.db2.gz YFVWYPLPKJGBCP-TZMCWYRMSA-N 1 0 335.404 2.731 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000281838264 473854907 /nfs/dbraw/zinc/85/49/07/473854907.db2.gz YFVWYPLPKJGBCP-GXTWGEPZSA-N 1 0 335.404 2.731 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000288185204 473869128 /nfs/dbraw/zinc/86/91/28/473869128.db2.gz RKRIXFRGJRZDEP-AWEZNQCLSA-N 1 0 335.383 2.974 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269722162 473870525 /nfs/dbraw/zinc/87/05/25/473870525.db2.gz SWWXYZQAQOHJRK-INIZCTEOSA-N 1 0 347.415 2.627 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000246474302 473874537 /nfs/dbraw/zinc/87/45/37/473874537.db2.gz QTGBCRYFEMSVIJ-UAGQMJEPSA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426044 473875476 /nfs/dbraw/zinc/87/54/76/473875476.db2.gz KJUQWLHOMLAVRD-MEDUHNTESA-N 1 0 331.328 2.887 20 5 EFBDRO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180434698 473876299 /nfs/dbraw/zinc/87/62/99/473876299.db2.gz BELQBKGCBXKKKR-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180436026 473876572 /nfs/dbraw/zinc/87/65/72/473876572.db2.gz DHZXIQHSQZDTDR-IUODEOHRSA-N 1 0 336.413 2.885 20 5 EFBDRO COc1cccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000274574679 473880196 /nfs/dbraw/zinc/88/01/96/473880196.db2.gz AIEVXJQKMKLZKO-UHFFFAOYSA-N 1 0 335.404 2.660 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000194341213 473882228 /nfs/dbraw/zinc/88/22/28/473882228.db2.gz FILVYUZICLDGLS-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CN(C)C(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194408032 473893192 /nfs/dbraw/zinc/89/31/92/473893192.db2.gz WNSRRVOXNFIVLB-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274634964 473904636 /nfs/dbraw/zinc/90/46/36/473904636.db2.gz CXIGUIKKXAKKFQ-QWHCGFSZSA-N 1 0 342.852 2.659 20 5 EFBDRO CN1CC[N@H+](C)C[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000274644275 473906992 /nfs/dbraw/zinc/90/69/92/473906992.db2.gz DZYJFQRKGVBPQE-SNVBAGLBSA-N 1 0 333.219 2.559 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000281995219 473911436 /nfs/dbraw/zinc/91/14/36/473911436.db2.gz PWJCSMAMZKBYCD-UKRRQHHQSA-N 1 0 348.403 2.742 20 5 EFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000274681737 473918693 /nfs/dbraw/zinc/91/86/93/473918693.db2.gz OAMKQTYDAAENCB-OLZOCXBDSA-N 1 0 342.852 2.659 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288391035 473930150 /nfs/dbraw/zinc/93/01/50/473930150.db2.gz MHUHYFHQPLQWCL-NSHDSACASA-N 1 0 335.433 2.768 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000264006834 473936343 /nfs/dbraw/zinc/93/63/43/473936343.db2.gz QJNUTEBKESKRNP-INIZCTEOSA-N 1 0 328.368 2.613 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246736670 473947228 /nfs/dbraw/zinc/94/72/28/473947228.db2.gz PCOSQFACMHWONQ-YWPYICTPSA-N 1 0 346.387 2.941 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000180721634 473950903 /nfs/dbraw/zinc/95/09/03/473950903.db2.gz NPBUIJDCHQUFLB-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270022635 473958365 /nfs/dbraw/zinc/95/83/65/473958365.db2.gz FPLOCHISJKLSFM-CQSZACIVSA-N 1 0 332.404 2.790 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000188063060 473969035 /nfs/dbraw/zinc/96/90/35/473969035.db2.gz AZZBZTIRXFITJT-LBPRGKRZSA-N 1 0 337.420 2.618 20 5 EFBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000264436748 473991452 /nfs/dbraw/zinc/99/14/52/473991452.db2.gz BITNYULBYOPZTM-MRXNPFEDSA-N 1 0 349.434 2.839 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246885271 473992594 /nfs/dbraw/zinc/99/25/94/473992594.db2.gz IIWSUUNSSNDXOD-NHYWBVRUSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264442435 473994217 /nfs/dbraw/zinc/99/42/17/473994217.db2.gz FCIXOVMRFBEZPA-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270111096 473994617 /nfs/dbraw/zinc/99/46/17/473994617.db2.gz DQNYVXHCBYUMBX-CYBMUJFWSA-N 1 0 327.388 2.724 20 5 EFBDRO CSc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000188138777 473997279 /nfs/dbraw/zinc/99/72/79/473997279.db2.gz BBZXGFYCHCQYFR-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000288628925 474004666 /nfs/dbraw/zinc/00/46/66/474004666.db2.gz YJLXZQVACMKJJQ-NSHDSACASA-N 1 0 333.413 2.976 20 5 EFBDRO CS[C@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246964580 474019657 /nfs/dbraw/zinc/01/96/57/474019657.db2.gz VCPBXUAXBOOGDZ-ZBFHGGJFSA-N 1 0 340.445 2.552 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264517076 474021202 /nfs/dbraw/zinc/02/12/02/474021202.db2.gz VAGURBAFWJURMY-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO CO[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000282338722 474028656 /nfs/dbraw/zinc/02/86/56/474028656.db2.gz LZEFANRTIQONFL-PWSUYJOCSA-N 1 0 341.795 2.686 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270234694 474038543 /nfs/dbraw/zinc/03/85/43/474038543.db2.gz OGPYBWXNQVRHAJ-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270240500 474041100 /nfs/dbraw/zinc/04/11/00/474041100.db2.gz WMOQSBDEGVEBEL-HNNXBMFYSA-N 1 0 333.432 2.909 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181505970 474041937 /nfs/dbraw/zinc/04/19/37/474041937.db2.gz SSKNVHNTCDGRBZ-RYUDHWBXSA-N 1 0 329.356 2.978 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(O)c1 ZINC000181506610 474042429 /nfs/dbraw/zinc/04/24/29/474042429.db2.gz YHASYKJCZGYXPO-LBPRGKRZSA-N 1 0 341.367 2.540 20 5 EFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288764089 474044572 /nfs/dbraw/zinc/04/45/72/474044572.db2.gz HSMTWGIVJCURAK-GOSISDBHSA-N 1 0 329.400 2.826 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181539695 474046303 /nfs/dbraw/zinc/04/63/03/474046303.db2.gz DGOKVVKVOXBLHF-MRXNPFEDSA-N 1 0 338.367 2.844 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181545357 474046627 /nfs/dbraw/zinc/04/66/27/474046627.db2.gz SGROEXFFDWIEPA-NWDGAFQWSA-N 1 0 329.356 2.978 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181546482 474046960 /nfs/dbraw/zinc/04/69/60/474046960.db2.gz LRFVXCYPLHPKQC-GFCCVEGCSA-N 1 0 329.356 2.614 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270255203 474048014 /nfs/dbraw/zinc/04/80/14/474048014.db2.gz QWJOMASIGCBDJH-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000195328554 474058593 /nfs/dbraw/zinc/05/85/93/474058593.db2.gz CNBYREPMIOLKQL-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CC[NH+](C2CC2)CC1 ZINC000195324342 474059227 /nfs/dbraw/zinc/05/92/27/474059227.db2.gz QISLMIVLPHULNI-UHFFFAOYSA-N 1 0 325.315 2.686 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000270299437 474063432 /nfs/dbraw/zinc/06/34/32/474063432.db2.gz YTFNVBDZGFNYNY-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCOC1 ZINC000247127948 474071389 /nfs/dbraw/zinc/07/13/89/474071389.db2.gz SCIWUVIDUYCZRH-GHMZBOCLSA-N 1 0 341.795 2.544 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000181997107 474076908 /nfs/dbraw/zinc/07/69/08/474076908.db2.gz KDTZELKLEUEYFQ-OAHLLOKOSA-N 1 0 335.404 2.517 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000182066288 474091848 /nfs/dbraw/zinc/09/18/48/474091848.db2.gz QVYBEXIIZWVTKM-LBPRGKRZSA-N 1 0 333.413 2.907 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188427992 474092332 /nfs/dbraw/zinc/09/23/32/474092332.db2.gz MNLDGPIFUSBGOK-CQSZACIVSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282519724 474096928 /nfs/dbraw/zinc/09/69/28/474096928.db2.gz TUUZKDWUWYNRGH-ZDUSSCGKSA-N 1 0 347.440 2.836 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000182090229 474097393 /nfs/dbraw/zinc/09/73/93/474097393.db2.gz VLOSSLVKIQMNIM-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000174822587 474103054 /nfs/dbraw/zinc/10/30/54/474103054.db2.gz XEUPZWRCGDVQHK-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1[NH+](C)C ZINC000270399458 474104763 /nfs/dbraw/zinc/10/47/63/474104763.db2.gz UZVQLSFOQYKCME-HOTGVXAUSA-N 1 0 332.429 2.625 20 5 EFBDRO CCCC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182129785 474104997 /nfs/dbraw/zinc/10/49/97/474104997.db2.gz LHUTYSORHMDOJM-UHFFFAOYSA-N 1 0 343.811 2.671 20 5 EFBDRO CS[C@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182222987 474126163 /nfs/dbraw/zinc/12/61/63/474126163.db2.gz URRMXYFKQQLPKR-KBPBESRZSA-N 1 0 340.445 2.552 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000275276958 474127986 /nfs/dbraw/zinc/12/79/86/474127986.db2.gz JWFLSAGETONWNP-RDJZCZTQSA-N 1 0 330.388 2.565 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282620064 474131148 /nfs/dbraw/zinc/13/11/48/474131148.db2.gz CSOMNZGSJDJRCV-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270471136 474131526 /nfs/dbraw/zinc/13/15/26/474131526.db2.gz NIFQOCLZHSOKQT-UHFFFAOYSA-N 1 0 332.448 2.590 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275299833 474134798 /nfs/dbraw/zinc/13/47/98/474134798.db2.gz ZIBQVCUJCQBPHX-JSGCOSHPSA-N 1 0 341.795 2.734 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000270502842 474144897 /nfs/dbraw/zinc/14/48/97/474144897.db2.gz IEIKWWLIXHEAMM-SUMWQHHRSA-N 1 0 344.415 2.835 20 5 EFBDRO Cc1ccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000270514689 474149728 /nfs/dbraw/zinc/14/97/28/474149728.db2.gz XZXSAEYDMHQIIJ-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247474381 474157405 /nfs/dbraw/zinc/15/74/05/474157405.db2.gz RZZCWYXMSBROOI-KCQAQPDRSA-N 1 0 349.456 2.771 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247486855 474159911 /nfs/dbraw/zinc/15/99/11/474159911.db2.gz KXEQWXUAMMLVAM-CZUORRHYSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000182406026 474168493 /nfs/dbraw/zinc/16/84/93/474168493.db2.gz NYALQTLXRURIMD-KMFMINBZSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247527361 474173084 /nfs/dbraw/zinc/17/30/84/474173084.db2.gz NXWQMVVYCRXRHX-YQYZPQCESA-N 1 0 334.416 2.988 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175256042 474173312 /nfs/dbraw/zinc/17/33/12/474173312.db2.gz QNYWUHMPLOMNCA-HNNXBMFYSA-N 1 0 333.432 2.911 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@H]12 ZINC000182492495 474189427 /nfs/dbraw/zinc/18/94/27/474189427.db2.gz JHPIIKDHHKWCBP-XYPHTWIQSA-N 1 0 343.427 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000270618376 474191764 /nfs/dbraw/zinc/19/17/64/474191764.db2.gz BREFJJHQPZSSCF-UHFFFAOYSA-N 1 0 346.387 2.551 20 5 EFBDRO C[N@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000282792563 474197372 /nfs/dbraw/zinc/19/73/72/474197372.db2.gz RIONXLPKCJALTP-UHFFFAOYSA-N 1 0 336.413 2.764 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000282793385 474198051 /nfs/dbraw/zinc/19/80/51/474198051.db2.gz HMGWFIYVHWAMJP-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000175397686 474206380 /nfs/dbraw/zinc/20/63/80/474206380.db2.gz NELYBBLQOKZGJK-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000282829277 474209452 /nfs/dbraw/zinc/20/94/52/474209452.db2.gz LHQNINFIVSZYLE-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000270676750 474216298 /nfs/dbraw/zinc/21/62/98/474216298.db2.gz TUAOGJJUMPJEBH-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188897010 474228222 /nfs/dbraw/zinc/22/82/22/474228222.db2.gz KQVPCHLDDCRYML-LBPRGKRZSA-N 1 0 331.372 2.811 20 5 EFBDRO CC(C)n1c(Sc2ncccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000265477833 474230123 /nfs/dbraw/zinc/23/01/23/474230123.db2.gz RKZKUIWCFYXKBR-UHFFFAOYSA-N 1 0 348.432 2.780 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247955730 474231753 /nfs/dbraw/zinc/23/17/53/474231753.db2.gz FNWNAYQQQKVBGN-SWLSCSKDSA-N 1 0 348.403 2.551 20 5 EFBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000289352274 474233276 /nfs/dbraw/zinc/23/32/76/474233276.db2.gz NDFMCODRHCVWTQ-HOTGVXAUSA-N 1 0 349.431 2.767 20 5 EFBDRO C[NH+](C)CCOc1cc(CNc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000270716310 474233903 /nfs/dbraw/zinc/23/39/03/474233903.db2.gz MQGUFYPUKHWLJL-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO COCCC[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188933623 474239543 /nfs/dbraw/zinc/23/95/43/474239543.db2.gz PACWDILHLIOOLO-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000270737445 474244236 /nfs/dbraw/zinc/24/42/36/474244236.db2.gz FDTHBNJEHYSXPL-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000282925516 474244452 /nfs/dbraw/zinc/24/44/52/474244452.db2.gz WUENZQIBYPHQLY-ZIAGYGMSSA-N 1 0 347.415 2.692 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000282942494 474248748 /nfs/dbraw/zinc/24/87/48/474248748.db2.gz MRQVGFYPCKVZBY-ZDUSSCGKSA-N 1 0 336.779 2.609 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000228560537 474249640 /nfs/dbraw/zinc/24/96/40/474249640.db2.gz GUJQFLFBJXMLNY-SNVBAGLBSA-N 1 0 339.149 2.832 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC000265543682 474249790 /nfs/dbraw/zinc/24/97/90/474249790.db2.gz WTIPPROUDNUJBP-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000282947038 474250922 /nfs/dbraw/zinc/25/09/22/474250922.db2.gz YWJLHNIZTJAAEL-CZUORRHYSA-N 1 0 347.415 2.550 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248075448 474258052 /nfs/dbraw/zinc/25/80/52/474258052.db2.gz MXHHNQBQCBIDAY-SMDDNHRTSA-N 1 0 337.807 2.805 20 5 EFBDRO CCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000265575163 474258057 /nfs/dbraw/zinc/25/80/57/474258057.db2.gz XICKGUBQOLUSMR-UHFFFAOYSA-N 1 0 340.387 2.502 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCC1 ZINC000270774195 474260471 /nfs/dbraw/zinc/26/04/71/474260471.db2.gz HRTPZQXMQTYAEY-UHFFFAOYSA-N 1 0 342.399 2.747 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)C3CCCC3)co2)cc1 ZINC000289419970 474262426 /nfs/dbraw/zinc/26/24/26/474262426.db2.gz CCDSVMYSURERPN-MRXNPFEDSA-N 1 0 331.372 2.891 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000275644252 474263463 /nfs/dbraw/zinc/26/34/63/474263463.db2.gz TXVYXLJIPMXHJX-HOCLYGCPSA-N 1 0 330.388 2.739 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231629207 474263710 /nfs/dbraw/zinc/26/37/10/474263710.db2.gz HBYPAZUESGNKTP-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+]1CCOCC1 ZINC000265597721 474263884 /nfs/dbraw/zinc/26/38/84/474263884.db2.gz RBIVFMMSXIQRMJ-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO C[C@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000265624414 474272356 /nfs/dbraw/zinc/27/23/56/474272356.db2.gz YMESTFKSJKOAKB-GOEBONIOSA-N 1 0 343.431 2.818 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000608781928 480092685 /nfs/dbraw/zinc/09/26/85/480092685.db2.gz NKVQMFHAPKOGAO-UHFFFAOYSA-N 1 0 347.346 2.861 20 5 EFBDRO COC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275678229 474278620 /nfs/dbraw/zinc/27/86/20/474278620.db2.gz YIMUKBWOFADXBX-UHFFFAOYSA-N 1 0 339.367 2.563 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000275702510 474288319 /nfs/dbraw/zinc/28/83/19/474288319.db2.gz XXUCDCPVQUCQMA-UHFFFAOYSA-N 1 0 333.432 2.815 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc(C)ccc2[N+](=O)[O-])cc1 ZINC000270863294 474298891 /nfs/dbraw/zinc/29/88/91/474298891.db2.gz AEIVMYAKFZZQCR-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265723600 474309516 /nfs/dbraw/zinc/30/95/16/474309516.db2.gz NHYUHLWBEWRTAE-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000265731281 474313387 /nfs/dbraw/zinc/31/33/87/474313387.db2.gz BHNCAPUCAGAMMI-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000265761130 474326402 /nfs/dbraw/zinc/32/64/02/474326402.db2.gz KIGSFWQCJSHMAN-HZPDHXFCSA-N 1 0 331.416 2.615 20 5 EFBDRO C[C@@H](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183141683 474336032 /nfs/dbraw/zinc/33/60/32/474336032.db2.gz RHEMBUXGNKYLJG-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000175906199 474337310 /nfs/dbraw/zinc/33/73/10/474337310.db2.gz SCNVVTUXIADWQO-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO C[NH2+]CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000237097554 474338988 /nfs/dbraw/zinc/33/89/88/474338988.db2.gz GPJIENOEXBHSBS-UHFFFAOYSA-N 1 0 325.434 2.682 20 5 EFBDRO CN(C)C(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237149727 474347219 /nfs/dbraw/zinc/34/72/19/474347219.db2.gz PKZKHXPMHHLKGN-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCCC2)ccc1Br ZINC000289624432 474350612 /nfs/dbraw/zinc/35/06/12/474350612.db2.gz SZXYRKLOVWXAEJ-CYBMUJFWSA-N 1 0 343.221 2.998 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175967041 474351221 /nfs/dbraw/zinc/35/12/21/474351221.db2.gz ADOMFTMUMLMLTN-GJZGRUSLSA-N 1 0 348.447 2.995 20 5 EFBDRO COCCO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000275889813 474352958 /nfs/dbraw/zinc/35/29/58/474352958.db2.gz XSLHFJZRQCSPAK-CQSZACIVSA-N 1 0 331.372 2.693 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000248550998 474354306 /nfs/dbraw/zinc/35/43/06/474354306.db2.gz GOIRZPLRVAKOSR-OGHNNQOOSA-N 1 0 349.406 2.780 20 5 EFBDRO CNC(=O)c1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000271024707 474373042 /nfs/dbraw/zinc/37/30/42/474373042.db2.gz ZXSIBFNTBFTAPZ-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271025919 474373728 /nfs/dbraw/zinc/37/37/28/474373728.db2.gz AFBDOWNAHOCGJW-FNORWQNLSA-N 1 0 331.416 2.845 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000237280642 474373878 /nfs/dbraw/zinc/37/38/78/474373878.db2.gz JUSQPPGOFAVQOJ-CYBMUJFWSA-N 1 0 325.434 2.762 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289676278 474374004 /nfs/dbraw/zinc/37/40/04/474374004.db2.gz FRTWXQAJYOAHIR-LBPRGKRZSA-N 1 0 332.404 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cncn3)o2)cc1 ZINC000608835817 480099591 /nfs/dbraw/zinc/09/95/91/480099591.db2.gz WOKLADGOBALZSP-UHFFFAOYSA-N 1 0 327.344 2.626 20 5 EFBDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000176082881 474378587 /nfs/dbraw/zinc/37/85/87/474378587.db2.gz YXNKGQLOHGXGBD-ZDUSSCGKSA-N 1 0 334.420 2.748 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000237304541 474379396 /nfs/dbraw/zinc/37/93/96/474379396.db2.gz FZXUAAMRPTVWHA-QWHCGFSZSA-N 1 0 337.445 2.533 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000237333774 474383891 /nfs/dbraw/zinc/38/38/91/474383891.db2.gz ICBBZDWAGOSSBU-AWEZNQCLSA-N 1 0 337.445 2.954 20 5 EFBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626933 474384378 /nfs/dbraw/zinc/38/43/78/474384378.db2.gz OMMJXWMDIGMASD-IUODEOHRSA-N 1 0 337.395 2.659 20 5 EFBDRO Cc1nn2c(CN(C)Cc3ccccc3[N+](=O)[O-])c(C)nc2s1 ZINC000271061388 474390508 /nfs/dbraw/zinc/39/05/08/474390508.db2.gz GXKCOFZHTWYRQY-UHFFFAOYSA-N 1 0 331.401 2.948 20 5 EFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC000237377464 474393149 /nfs/dbraw/zinc/39/31/49/474393149.db2.gz CGIJQGNIUNHHPJ-ZDUSSCGKSA-N 1 0 331.416 2.505 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000289722574 474395716 /nfs/dbraw/zinc/39/57/16/474395716.db2.gz LIYAKHBSIFLINE-KGLIPLIRSA-N 1 0 331.416 2.574 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237421549 474400424 /nfs/dbraw/zinc/40/04/24/474400424.db2.gz YMIJBUNWKKVDEP-SCLBCKFNSA-N 1 0 339.395 2.816 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000237439102 474403533 /nfs/dbraw/zinc/40/35/33/474403533.db2.gz DIVJNMOIECMUFD-GDBMZVCRSA-N 1 0 332.356 2.866 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCOCCOC)cc1[N+](=O)[O-] ZINC000271147117 474403949 /nfs/dbraw/zinc/40/39/49/474403949.db2.gz PMJFXLWMMCGYIN-ZDUSSCGKSA-N 1 0 326.393 2.697 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(C(F)(F)F)c1 ZINC000176211647 474411151 /nfs/dbraw/zinc/41/11/51/474411151.db2.gz AYSUSUBNHPDLJC-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000266009516 474414557 /nfs/dbraw/zinc/41/45/57/474414557.db2.gz LSDUFZQKYIHAAI-UHFFFAOYSA-N 1 0 334.376 2.628 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000265987117 474414954 /nfs/dbraw/zinc/41/49/54/474414954.db2.gz DPUBXRRGFOSBIM-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000176236964 474417129 /nfs/dbraw/zinc/41/71/29/474417129.db2.gz SENBEWSODPSQCD-UHFFFAOYSA-N 1 0 340.387 2.547 20 5 EFBDRO C[C@@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000176249024 474420889 /nfs/dbraw/zinc/42/08/89/474420889.db2.gz NCHZRXPUXSLAQR-BBRMVZONSA-N 1 0 332.429 2.970 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266209208 474423884 /nfs/dbraw/zinc/42/38/84/474423884.db2.gz XKQGGKWELKQJFY-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000237540422 474425380 /nfs/dbraw/zinc/42/53/80/474425380.db2.gz HCLZAIFGIVWEFN-LBPRGKRZSA-N 1 0 337.445 2.853 20 5 EFBDRO CCC1(O)CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271181608 474426546 /nfs/dbraw/zinc/42/65/46/474426546.db2.gz HRBUESVZNKWFTA-UHFFFAOYSA-N 1 0 344.415 2.732 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000248760234 474429675 /nfs/dbraw/zinc/42/96/75/474429675.db2.gz GMRJOBWJJPHRHL-WMLDXEAASA-N 1 0 339.395 2.845 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000276152825 474432898 /nfs/dbraw/zinc/43/28/98/474432898.db2.gz FATMPNWDFCTBEO-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000271204722 474438677 /nfs/dbraw/zinc/43/86/77/474438677.db2.gz RWYWJCCWGJXYIZ-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000283578874 474441619 /nfs/dbraw/zinc/44/16/19/474441619.db2.gz WHUAWSSTYZMCOG-UONOGXRCSA-N 1 0 349.431 2.844 20 5 EFBDRO COC[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000289862515 474460769 /nfs/dbraw/zinc/46/07/69/474460769.db2.gz ONPWFVMHCHWIQR-LJQANCHMSA-N 1 0 342.395 2.799 20 5 EFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000237709724 474461797 /nfs/dbraw/zinc/46/17/97/474461797.db2.gz SBAZXBUPAUTNPC-DYVFJYSZSA-N 1 0 327.384 2.590 20 5 EFBDRO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266749798 474469478 /nfs/dbraw/zinc/46/94/78/474469478.db2.gz BXNRLOAZMNYEJX-HNNXBMFYSA-N 1 0 333.432 2.890 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000608966013 480106366 /nfs/dbraw/zinc/10/63/66/480106366.db2.gz MYRBCGJQMGVBAZ-UHFFFAOYSA-N 1 0 344.415 2.657 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176557731 474499555 /nfs/dbraw/zinc/49/95/55/474499555.db2.gz DCBTZKYVVZBXQP-CABCVRRESA-N 1 0 334.420 2.609 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176557716 474499759 /nfs/dbraw/zinc/49/97/59/474499759.db2.gz DCBTZKYVVZBXQP-HUUCEWRRSA-N 1 0 334.420 2.609 20 5 EFBDRO CCn1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000289960749 474504327 /nfs/dbraw/zinc/50/43/27/474504327.db2.gz YKVRFRGTMIRVFV-UHFFFAOYSA-N 1 0 339.399 2.930 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000189918002 474505875 /nfs/dbraw/zinc/50/58/75/474505875.db2.gz PZULMNIPKGLCHX-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289972381 474508051 /nfs/dbraw/zinc/50/80/51/474508051.db2.gz XHCMMFAUHGTOMM-DAXOMENPSA-N 1 0 347.415 2.811 20 5 EFBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000237944870 474510133 /nfs/dbraw/zinc/51/01/33/474510133.db2.gz LJVWOOKGHVWSTK-UHFFFAOYSA-N 1 0 325.368 2.664 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000276359373 474510616 /nfs/dbraw/zinc/51/06/16/474510616.db2.gz PGURWXALPBXVTQ-UHFFFAOYSA-N 1 0 331.376 2.720 20 5 EFBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237969099 474512534 /nfs/dbraw/zinc/51/25/34/474512534.db2.gz QFCFIUWDVOCZOQ-HNNXBMFYSA-N 1 0 340.383 2.902 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189948225 474516368 /nfs/dbraw/zinc/51/63/68/474516368.db2.gz LRVSCAJQRGLQRT-CABCVRRESA-N 1 0 335.448 2.741 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000283898106 474522460 /nfs/dbraw/zinc/52/24/60/474522460.db2.gz IYTXSZXQTONHHC-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238029557 474523550 /nfs/dbraw/zinc/52/35/50/474523550.db2.gz KLVOVOHYFVHAJQ-UHFFFAOYSA-N 1 0 349.456 2.678 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000283947859 474533961 /nfs/dbraw/zinc/53/39/61/474533961.db2.gz LCTCYBXYPDGUPP-LBPRGKRZSA-N 1 0 338.383 2.848 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249141065 474537219 /nfs/dbraw/zinc/53/72/19/474537219.db2.gz QJGQQRHXSMKBNW-GXTWGEPZSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1CO ZINC000249148107 474538113 /nfs/dbraw/zinc/53/81/13/474538113.db2.gz ZQGDABJQHRZPBA-ABAIWWIYSA-N 1 0 333.413 2.921 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)CC1 ZINC000283965799 474538240 /nfs/dbraw/zinc/53/82/40/474538240.db2.gz CCLVLAIAZZWQAD-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCOCC2)s1 ZINC000238145035 474538472 /nfs/dbraw/zinc/53/84/72/474538472.db2.gz QGJVAVZMWFBCLY-UHFFFAOYSA-N 1 0 348.424 2.954 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000276426627 474540178 /nfs/dbraw/zinc/54/01/78/474540178.db2.gz JDMVCKFGVCRMRC-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000271423351 474540075 /nfs/dbraw/zinc/54/00/75/474540075.db2.gz CHILYTFNUZHNPA-GFCCVEGCSA-N 1 0 325.368 2.965 20 5 EFBDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000271447665 474550331 /nfs/dbraw/zinc/55/03/31/474550331.db2.gz DAKHQXSWECLWGM-FDQGKXFDSA-N 1 0 330.384 2.730 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290081474 474551869 /nfs/dbraw/zinc/55/18/69/474551869.db2.gz IWDBRNGQHUHVRX-AWEZNQCLSA-N 1 0 349.456 2.535 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000267001214 474561268 /nfs/dbraw/zinc/56/12/68/474561268.db2.gz CZTOHZVYNTYKPC-HNNXBMFYSA-N 1 0 348.399 2.769 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000276493347 474563420 /nfs/dbraw/zinc/56/34/20/474563420.db2.gz SSNIMECUPHIZSB-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCSC1 ZINC000267026774 474568241 /nfs/dbraw/zinc/56/82/41/474568241.db2.gz AGNLTAFUCZUECW-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184649949 474574309 /nfs/dbraw/zinc/57/43/09/474574309.db2.gz NPEZXFXUBMUPCU-LBPRGKRZSA-N 1 0 326.418 2.537 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249452203 474574603 /nfs/dbraw/zinc/57/46/03/474574603.db2.gz CPKZRERIYMXTLU-SCRDCRAPSA-N 1 0 328.315 2.853 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000184653921 474576072 /nfs/dbraw/zinc/57/60/72/474576072.db2.gz SLBGTQHAOHJDMF-WBVHZDCISA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000245391167 474577173 /nfs/dbraw/zinc/57/71/73/474577173.db2.gz OXXKJGBQDGKRTN-KFWWJZLASA-N 1 0 348.447 2.760 20 5 EFBDRO Cc1noc(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000271514015 474577907 /nfs/dbraw/zinc/57/79/07/474577907.db2.gz TUCJZHHDBMIXMR-HNNXBMFYSA-N 1 0 330.388 2.830 20 5 EFBDRO COc1cc(NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000267087719 474586838 /nfs/dbraw/zinc/58/68/38/474586838.db2.gz UDCDHFUTWQNFNZ-UHFFFAOYSA-N 1 0 337.420 2.905 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCSC1 ZINC000267120754 474595469 /nfs/dbraw/zinc/59/54/69/474595469.db2.gz TYOQBFYGVDHYQY-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCSC1 ZINC000267120752 474595519 /nfs/dbraw/zinc/59/55/19/474595519.db2.gz TYOQBFYGVDHYQY-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1F ZINC000284241959 474601950 /nfs/dbraw/zinc/60/19/50/474601950.db2.gz PENPFTCMYVLEFR-LBPRGKRZSA-N 1 0 337.395 2.845 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000609133345 480114955 /nfs/dbraw/zinc/11/49/55/480114955.db2.gz OQOCFASCSRVXJX-UHFFFAOYSA-N 1 0 328.368 2.780 20 5 EFBDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284281188 474608973 /nfs/dbraw/zinc/60/89/73/474608973.db2.gz XIXBREQWGJPWPK-BBRMVZONSA-N 1 0 329.400 2.994 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000184790776 474608988 /nfs/dbraw/zinc/60/89/88/474608988.db2.gz GINUAWJMIKHTPQ-HOTGVXAUSA-N 1 0 333.432 2.574 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284281196 474609021 /nfs/dbraw/zinc/60/90/21/474609021.db2.gz XIXBREQWGJPWPK-XJKSGUPXSA-N 1 0 329.400 2.994 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249760311 474613557 /nfs/dbraw/zinc/61/35/57/474613557.db2.gz XGGVQKWGJFDJTA-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249823976 474618050 /nfs/dbraw/zinc/61/80/50/474618050.db2.gz OZGMPQIQJGZNPU-UMVBOHGHSA-N 1 0 339.461 2.730 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000267209515 474619282 /nfs/dbraw/zinc/61/92/82/474619282.db2.gz HAYORSGYNYKZDQ-NSHDSACASA-N 1 0 329.347 2.974 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000609135876 480116407 /nfs/dbraw/zinc/11/64/07/480116407.db2.gz YMIRFGDMSZYCPB-CYBMUJFWSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267232571 474624367 /nfs/dbraw/zinc/62/43/67/474624367.db2.gz QHBOIZIKDHBAMY-BBRMVZONSA-N 1 0 343.431 2.959 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267232593 474624567 /nfs/dbraw/zinc/62/45/67/474624567.db2.gz QHBOIZIKDHBAMY-XJKSGUPXSA-N 1 0 343.431 2.959 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267246426 474626907 /nfs/dbraw/zinc/62/69/07/474626907.db2.gz YNFFZLOXCRVIOO-UHFFFAOYSA-N 1 0 325.384 2.671 20 5 EFBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272858362 474627218 /nfs/dbraw/zinc/62/72/18/474627218.db2.gz HYYDPKDKBHIRLP-LBPRGKRZSA-N 1 0 344.415 2.549 20 5 EFBDRO Cc1cc(NC[C@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890516 474635197 /nfs/dbraw/zinc/63/51/97/474635197.db2.gz XPIUOBZKYJOONH-KRWDZBQOSA-N 1 0 331.372 2.651 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267295011 474640904 /nfs/dbraw/zinc/64/09/04/474640904.db2.gz ZANUPDSQNHJGAS-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCn3cncn3)o2)c1 ZINC000609140486 480117340 /nfs/dbraw/zinc/11/73/40/480117340.db2.gz LBWDHYWIESWPIF-UHFFFAOYSA-N 1 0 327.344 2.626 20 5 EFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000291666409 474644811 /nfs/dbraw/zinc/64/48/11/474644811.db2.gz LHUBZFOXBPYJPB-SJCJKPOMSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272954355 474649758 /nfs/dbraw/zinc/64/97/58/474649758.db2.gz QSGHIEMVUXKSAZ-OLZOCXBDSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272954357 474649812 /nfs/dbraw/zinc/64/98/12/474649812.db2.gz QSGHIEMVUXKSAZ-STQMWFEESA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272954356 474650141 /nfs/dbraw/zinc/65/01/41/474650141.db2.gz QSGHIEMVUXKSAZ-QWHCGFSZSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702589 474653181 /nfs/dbraw/zinc/65/31/81/474653181.db2.gz ZDSHABRSZYKDAY-ISVAXAHUSA-N 1 0 335.187 2.531 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344339631 474663823 /nfs/dbraw/zinc/66/38/23/474663823.db2.gz XDIVUVZMHAJJSF-ZDUSSCGKSA-N 1 0 329.404 2.562 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267376360 474664604 /nfs/dbraw/zinc/66/46/04/474664604.db2.gz RGBSAEPOMFMIPR-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](O)C34CCCC4)o2)cc1 ZINC000292831093 474664865 /nfs/dbraw/zinc/66/48/65/474664865.db2.gz UCZJQVOGEOSUTK-CQSZACIVSA-N 1 0 344.371 2.524 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000284566563 474670902 /nfs/dbraw/zinc/67/09/02/474670902.db2.gz YQPWHICSCJJZMT-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000273016678 474673214 /nfs/dbraw/zinc/67/32/14/474673214.db2.gz PQSKJAKLQHUWRT-MLGOLLRUSA-N 1 0 337.445 2.581 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000273029703 474680882 /nfs/dbraw/zinc/68/08/82/474680882.db2.gz UUVOAIKLMABBGH-SECBINFHSA-N 1 0 341.209 2.815 20 5 EFBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000273034632 474682869 /nfs/dbraw/zinc/68/28/69/474682869.db2.gz GXIYWWULUWGZNL-STQMWFEESA-N 1 0 338.404 2.907 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278538669 474690282 /nfs/dbraw/zinc/69/02/82/474690282.db2.gz CJCSELGIFHVJIX-MQDFFIGUSA-N 1 0 345.443 2.793 20 5 EFBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO[C@H]1C1CC1 ZINC000273052900 474692224 /nfs/dbraw/zinc/69/22/24/474692224.db2.gz KTVGKAWZWZGSHQ-DLBZAZTESA-N 1 0 334.372 2.509 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000340830551 474697657 /nfs/dbraw/zinc/69/76/57/474697657.db2.gz ZKSNUBGOHUIWSK-FABXCBLPSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278555272 474697841 /nfs/dbraw/zinc/69/78/41/474697841.db2.gz BWAZCAAURLDTJF-YVEFUNNKSA-N 1 0 348.424 2.953 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C=C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000305141446 474702577 /nfs/dbraw/zinc/70/25/77/474702577.db2.gz QHBIPUVRMYAANQ-QWHCGFSZSA-N 1 0 344.367 2.890 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000292900239 474705390 /nfs/dbraw/zinc/70/53/90/474705390.db2.gz AKNCRINGLIWVNE-HNNXBMFYSA-N 1 0 336.779 2.598 20 5 EFBDRO CC[C@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000305155135 474706261 /nfs/dbraw/zinc/70/62/61/474706261.db2.gz VMCQBDZVIROHCR-MSOLQXFVSA-N 1 0 335.448 2.728 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000253271718 474719076 /nfs/dbraw/zinc/71/90/76/474719076.db2.gz AQKIQGVULGVBQQ-OLZOCXBDSA-N 1 0 349.431 2.762 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000291864445 474724575 /nfs/dbraw/zinc/72/45/75/474724575.db2.gz KNOCBPBWYQZBQJ-OLZOCXBDSA-N 1 0 339.461 2.920 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000344419035 474738490 /nfs/dbraw/zinc/73/84/90/474738490.db2.gz LILLNTWZOZNZJM-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284739916 474746408 /nfs/dbraw/zinc/74/64/08/474746408.db2.gz KVUPDLNZUORIBA-SJORKVTESA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284739910 474747503 /nfs/dbraw/zinc/74/75/03/474747503.db2.gz KVUPDLNZUORIBA-DLBZAZTESA-N 1 0 347.415 2.875 20 5 EFBDRO C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000305728685 474757534 /nfs/dbraw/zinc/75/75/34/474757534.db2.gz MNWYNNKTKIFCCL-XJKSGUPXSA-N 1 0 345.399 2.885 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293001129 474758465 /nfs/dbraw/zinc/75/84/65/474758465.db2.gz OVQMQYNBMYFRLN-UHFFFAOYSA-N 1 0 327.384 2.721 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CO ZINC000305742904 474763133 /nfs/dbraw/zinc/76/31/33/474763133.db2.gz SUWGTAXRWOJKJU-WBMJQRKESA-N 1 0 331.372 2.843 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000293014176 474766939 /nfs/dbraw/zinc/76/69/39/474766939.db2.gz KBJNUYOKYGPRRF-HNNXBMFYSA-N 1 0 346.387 2.532 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000278677824 474771966 /nfs/dbraw/zinc/77/19/66/474771966.db2.gz JOVKRMDGJXTDKO-MRXNPFEDSA-N 1 0 331.416 2.868 20 5 EFBDRO Cc1nn2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)c(C)nc2s1 ZINC000338955370 474775679 /nfs/dbraw/zinc/77/56/79/474775679.db2.gz VCFUTWLOMXAOAE-UHFFFAOYSA-N 1 0 345.428 2.990 20 5 EFBDRO CCOc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293033111 474776132 /nfs/dbraw/zinc/77/61/32/474776132.db2.gz RRBUQCVPZRMTNL-GOSISDBHSA-N 1 0 333.432 2.911 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000273213574 474780883 /nfs/dbraw/zinc/78/08/83/474780883.db2.gz HCIHXJZZCDNQLD-GFCCVEGCSA-N 1 0 346.431 2.646 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000273225396 474787573 /nfs/dbraw/zinc/78/75/73/474787573.db2.gz VNVYMFLHXBKHEN-UKRRQHHQSA-N 1 0 346.383 2.694 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2c(c1)COCO2 ZINC000284837188 474793382 /nfs/dbraw/zinc/79/33/82/474793382.db2.gz QSQOUJIFSOHLGU-JKSUJKDBSA-N 1 0 334.372 2.605 20 5 EFBDRO CNC(=O)c1ccc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000273237012 474794987 /nfs/dbraw/zinc/79/49/87/474794987.db2.gz WVLAHUJITWGWCK-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268102770 474797537 /nfs/dbraw/zinc/79/75/37/474797537.db2.gz APAWNEUBJZHCKF-IUODEOHRSA-N 1 0 329.404 2.712 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268102772 474798501 /nfs/dbraw/zinc/79/85/01/474798501.db2.gz APAWNEUBJZHCKF-SWLSCSKDSA-N 1 0 329.404 2.712 20 5 EFBDRO C[C@H](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273247816 474800713 /nfs/dbraw/zinc/80/07/13/474800713.db2.gz NXIFSJWKTTXXTM-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000293098395 474810762 /nfs/dbraw/zinc/81/07/62/474810762.db2.gz QCBSAFOSKPOSOW-QGZVFWFLSA-N 1 0 333.388 2.967 20 5 EFBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293096578 474810971 /nfs/dbraw/zinc/81/09/71/474810971.db2.gz KSRDOKXKCJVHTJ-MRXNPFEDSA-N 1 0 335.404 2.670 20 5 EFBDRO COCCn1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000337248514 474823669 /nfs/dbraw/zinc/82/36/69/474823669.db2.gz IXTDAZQCKMQQDE-UHFFFAOYSA-N 1 0 332.404 2.851 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268144978 474824583 /nfs/dbraw/zinc/82/45/83/474824583.db2.gz GDOPPGYFRUKRHY-ZDUSSCGKSA-N 1 0 340.811 2.532 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292062277 474825427 /nfs/dbraw/zinc/82/54/27/474825427.db2.gz WSMXMDWRWJRSDO-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000310687732 474828615 /nfs/dbraw/zinc/82/86/15/474828615.db2.gz MVFQJQCDEIOZAR-CZUORRHYSA-N 1 0 343.431 2.966 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000310687734 474829486 /nfs/dbraw/zinc/82/94/86/474829486.db2.gz MVFQJQCDEIOZAR-XJKSGUPXSA-N 1 0 343.431 2.966 20 5 EFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292073308 474833549 /nfs/dbraw/zinc/83/35/49/474833549.db2.gz CQHGXXCHENHDEB-ZDUSSCGKSA-N 1 0 348.403 2.809 20 5 EFBDRO Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000278803518 474842751 /nfs/dbraw/zinc/84/27/51/474842751.db2.gz YLDUVVGQCFFFBG-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000293163849 474846905 /nfs/dbraw/zinc/84/69/05/474846905.db2.gz COKBSBROJVBACR-KGLIPLIRSA-N 1 0 340.445 2.721 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000273352509 474854505 /nfs/dbraw/zinc/85/45/05/474854505.db2.gz CTAYQBXCSIPEHQ-LBPRGKRZSA-N 1 0 326.372 2.832 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255437893 474856258 /nfs/dbraw/zinc/85/62/58/474856258.db2.gz JGGMGLDCJAQDRF-SBKIPFDTSA-N 1 0 329.400 2.693 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000292127799 474863967 /nfs/dbraw/zinc/86/39/67/474863967.db2.gz XJJOWOPWDHUHHL-CQSZACIVSA-N 1 0 336.436 2.857 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292146346 474873238 /nfs/dbraw/zinc/87/32/38/474873238.db2.gz JRJNCJFZWKHJCV-CXAGYDPISA-N 1 0 349.456 2.630 20 5 EFBDRO CCCC[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273388076 474875613 /nfs/dbraw/zinc/87/56/13/474875613.db2.gz DCRRUPRVZQSSCG-CYBMUJFWSA-N 1 0 328.434 2.927 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255582773 474877428 /nfs/dbraw/zinc/87/74/28/474877428.db2.gz JJQINMTYSZWZAP-BDUWGWSJSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268241759 474883362 /nfs/dbraw/zinc/88/33/62/474883362.db2.gz VELVVWIBTZHOCX-MQIPJXDCSA-N 1 0 349.456 2.674 20 5 EFBDRO [NH3+]CCCOC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000317143068 474884248 /nfs/dbraw/zinc/88/42/48/474884248.db2.gz BIWSQUBNVNBTFZ-UHFFFAOYSA-N 1 0 327.812 2.578 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOC[C@H](C2CCC2)C1 ZINC000292191324 474894511 /nfs/dbraw/zinc/89/45/11/474894511.db2.gz RJIPWQJYXZUPNN-OAHLLOKOSA-N 1 0 347.415 2.590 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272277 474900447 /nfs/dbraw/zinc/90/04/47/474900447.db2.gz SZVFVXGAUNUAIR-INIZCTEOSA-N 1 0 332.448 2.591 20 5 EFBDRO CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000273451214 474903268 /nfs/dbraw/zinc/90/32/68/474903268.db2.gz LIFUNBSXSOCBEL-CYBMUJFWSA-N 1 0 336.323 2.751 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000337336235 474908137 /nfs/dbraw/zinc/90/81/37/474908137.db2.gz LXHUOMQVEMSJDS-HUUCEWRRSA-N 1 0 348.447 2.999 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000339083739 474912517 /nfs/dbraw/zinc/91/25/17/474912517.db2.gz LCCVCOXIKMQVBP-MRCXROJRSA-N 1 0 330.306 2.816 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000255908785 474918117 /nfs/dbraw/zinc/91/81/17/474918117.db2.gz KYYHAVVYMPWDRU-IJVDHGTGSA-N 1 0 327.388 2.612 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255918564 474919605 /nfs/dbraw/zinc/91/96/05/474919605.db2.gz VAKCCXKJWRIKGE-XFXZXTDPSA-N 1 0 339.395 2.986 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000292261123 474928178 /nfs/dbraw/zinc/92/81/78/474928178.db2.gz YQDQPAMXNISOET-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285204962 474928198 /nfs/dbraw/zinc/92/81/98/474928198.db2.gz DFKGRTXGECXBOS-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292261121 474929660 /nfs/dbraw/zinc/92/96/60/474929660.db2.gz YQDQPAMXNISOET-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000337357852 474934179 /nfs/dbraw/zinc/93/41/79/474934179.db2.gz BJHUFBYCRNJTPN-CYBMUJFWSA-N 1 0 335.404 2.718 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268348704 474935096 /nfs/dbraw/zinc/93/50/96/474935096.db2.gz CRTMXCXJPAGUNL-GOEBONIOSA-N 1 0 348.403 2.753 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268348702 474935512 /nfs/dbraw/zinc/93/55/12/474935512.db2.gz CRTMXCXJPAGUNL-GDBMZVCRSA-N 1 0 348.403 2.753 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000285229387 474937102 /nfs/dbraw/zinc/93/71/02/474937102.db2.gz FWETZYFMBQDOPR-INIZCTEOSA-N 1 0 330.384 2.509 20 5 EFBDRO CSc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000337369224 474946290 /nfs/dbraw/zinc/94/62/90/474946290.db2.gz OGFSAJRJLMDBAX-LBPRGKRZSA-N 1 0 333.413 2.829 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341076164 474947473 /nfs/dbraw/zinc/94/74/73/474947473.db2.gz WPIWEYIRBWXKGG-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293369045 474948233 /nfs/dbraw/zinc/94/82/33/474948233.db2.gz JAEQZAWFMISBKH-FRRDWIJNSA-N 1 0 345.403 2.730 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000345160410 474949056 /nfs/dbraw/zinc/94/90/56/474949056.db2.gz JDNHQBNYNAKGCU-NEPJUHHUSA-N 1 0 331.376 2.564 20 5 EFBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])oc1C ZINC000285263926 474950965 /nfs/dbraw/zinc/95/09/65/474950965.db2.gz IBPLSHZLCBVTSM-UHFFFAOYSA-N 1 0 332.356 2.957 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268399826 474959421 /nfs/dbraw/zinc/95/94/21/474959421.db2.gz RQHYPRCBOTZSNU-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO Cc1nc(NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268433742 474976670 /nfs/dbraw/zinc/97/66/70/474976670.db2.gz BPNJDMBQZBMUDJ-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000324794712 474976830 /nfs/dbraw/zinc/97/68/30/474976830.db2.gz MYGATUQKCQVXRA-KXPUMZMLSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000324794714 474976987 /nfs/dbraw/zinc/97/69/87/474976987.db2.gz MYGATUQKCQVXRA-WAVCKPEOSA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273590470 474979289 /nfs/dbraw/zinc/97/92/89/474979289.db2.gz HFOIUFPBBMVILM-HOCLYGCPSA-N 1 0 341.415 2.874 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000325005263 474981113 /nfs/dbraw/zinc/98/11/13/474981113.db2.gz CYWFSXMYISOMJR-JZLODUJNSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285351378 474983511 /nfs/dbraw/zinc/98/35/11/474983511.db2.gz AKDJJRVKWIXBRV-XYPHTWIQSA-N 1 0 346.431 2.841 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000285351362 474984888 /nfs/dbraw/zinc/98/48/88/474984888.db2.gz AKDJJRVKWIXBRV-XKQJLSEDSA-N 1 0 346.431 2.841 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373092 474988138 /nfs/dbraw/zinc/98/81/38/474988138.db2.gz JAHZLCBKTXRHOS-STQMWFEESA-N 1 0 337.445 2.997 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000337414670 474990913 /nfs/dbraw/zinc/99/09/13/474990913.db2.gz OXHJPPIFFMXPKG-DGCLKSJQSA-N 1 0 343.330 2.673 20 5 EFBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000337414671 474991042 /nfs/dbraw/zinc/99/10/42/474991042.db2.gz OXHJPPIFFMXPKG-WCQYABFASA-N 1 0 343.330 2.673 20 5 EFBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000285365997 474991829 /nfs/dbraw/zinc/99/18/29/474991829.db2.gz AQTLLUCOFFVLTE-OAHLLOKOSA-N 1 0 341.795 2.736 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261606690 474992841 /nfs/dbraw/zinc/99/28/41/474992841.db2.gz ACCGYUKEHGCUGQ-QWRGUYRKSA-N 1 0 346.412 2.528 20 5 EFBDRO CCC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810944 474995730 /nfs/dbraw/zinc/99/57/30/474995730.db2.gz KDIYOUJVTFONGM-KURKYZTESA-N 1 0 333.432 2.889 20 5 EFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337419589 474998214 /nfs/dbraw/zinc/99/82/14/474998214.db2.gz ARQGJYLAWGLKJQ-ZUZCIYMTSA-N 1 0 326.780 2.879 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2N1 ZINC000326024285 474998973 /nfs/dbraw/zinc/99/89/73/474998973.db2.gz QQEUUWFCELAYIH-CHWSQXEVSA-N 1 0 330.388 2.518 20 5 EFBDRO Cc1nn(C)c2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc12 ZINC000326444520 475005496 /nfs/dbraw/zinc/00/54/96/475005496.db2.gz MSNHXSBYQCYNEJ-UHFFFAOYSA-N 1 0 325.372 2.783 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000273679793 475008387 /nfs/dbraw/zinc/00/83/87/475008387.db2.gz ZBUIKGJHASIFPW-UHFFFAOYSA-N 1 0 327.388 2.983 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000337429988 475008771 /nfs/dbraw/zinc/00/87/71/475008771.db2.gz FPFGEDVVQDOAPU-SJKOYZFVSA-N 1 0 336.388 2.625 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326619195 475009601 /nfs/dbraw/zinc/00/96/01/475009601.db2.gz QSYMYIWRSBDDSL-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293510798 475014701 /nfs/dbraw/zinc/01/47/01/475014701.db2.gz SZYNYWPPNDZVNN-ZFWWWQNUSA-N 1 0 331.416 2.716 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000339183827 475015023 /nfs/dbraw/zinc/01/50/23/475015023.db2.gz UMOGPXUMJYEEPA-HUUCEWRRSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292427569 475020261 /nfs/dbraw/zinc/02/02/61/475020261.db2.gz WYNUBMSBHODWIH-LLVKDONJSA-N 1 0 335.433 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261678077 475022788 /nfs/dbraw/zinc/02/27/88/475022788.db2.gz MNNKIVYNPWFJFD-QGZVFWFLSA-N 1 0 325.368 2.520 20 5 EFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000341286061 475039422 /nfs/dbraw/zinc/03/94/22/475039422.db2.gz PYIDGYURCKGHFT-DZGCQCFKSA-N 1 0 326.400 2.973 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261735749 475044380 /nfs/dbraw/zinc/04/43/80/475044380.db2.gz NKXKZILBBHBNCF-HNNXBMFYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292483320 475049965 /nfs/dbraw/zinc/04/99/65/475049965.db2.gz WAWNQSMPPXPPAI-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261761820 475052504 /nfs/dbraw/zinc/05/25/04/475052504.db2.gz OAJFMVLVBZQGCW-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261767859 475056207 /nfs/dbraw/zinc/05/62/07/475056207.db2.gz OKXWPGRCFHCWAA-CYBMUJFWSA-N 1 0 344.209 2.538 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261773850 475058553 /nfs/dbraw/zinc/05/85/53/475058553.db2.gz OZOBQZSKYHGXSR-DLBZAZTESA-N 1 0 327.384 2.530 20 5 EFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522245 475068530 /nfs/dbraw/zinc/06/85/30/475068530.db2.gz WIUDIVCLEQFRET-SUMWQHHRSA-N 1 0 328.368 2.911 20 5 EFBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522242 475069102 /nfs/dbraw/zinc/06/91/02/475069102.db2.gz WIUDIVCLEQFRET-GUYCJALGSA-N 1 0 328.368 2.911 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281108722 475074960 /nfs/dbraw/zinc/07/49/60/475074960.db2.gz WPRRTVBCIWLQQW-SFHVURJKSA-N 1 0 343.383 2.660 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000261837158 475079570 /nfs/dbraw/zinc/07/95/70/475079570.db2.gz RRWNKWSSEISDKN-ZETCQYMHSA-N 1 0 330.266 2.814 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000609323365 480144192 /nfs/dbraw/zinc/14/41/92/480144192.db2.gz CWCOHIGJXAELFX-HNNXBMFYSA-N 1 0 348.424 2.844 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCc3sccc3C2)c1 ZINC000609323366 480145122 /nfs/dbraw/zinc/14/51/22/480145122.db2.gz CWCOHIGJXAELFX-OAHLLOKOSA-N 1 0 348.424 2.844 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345337800 475106662 /nfs/dbraw/zinc/10/66/62/475106662.db2.gz IWTHHWUSHOQKRB-UHFFFAOYSA-N 1 0 336.436 2.662 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287351276 475107798 /nfs/dbraw/zinc/10/77/98/475107798.db2.gz ZKFLFSAUAZSDPT-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000273915777 475115168 /nfs/dbraw/zinc/11/51/68/475115168.db2.gz PYLLOVSATIYZMR-CVEARBPZSA-N 1 0 349.406 2.755 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281217295 475119737 /nfs/dbraw/zinc/11/97/37/475119737.db2.gz BLTWFGIHZJZEFF-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000261944552 475122866 /nfs/dbraw/zinc/12/28/66/475122866.db2.gz VJQGPXOKUAXAHI-UHFFFAOYSA-N 1 0 333.417 2.568 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000261950865 475123935 /nfs/dbraw/zinc/12/39/35/475123935.db2.gz FXYSCUZGGREIHA-NEPJUHHUSA-N 1 0 332.429 2.901 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962928 475140041 /nfs/dbraw/zinc/14/00/41/475140041.db2.gz GPYAIJQXJROYOS-SMDDNHRTSA-N 1 0 334.376 2.702 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000287440251 475148224 /nfs/dbraw/zinc/14/82/24/475148224.db2.gz KZJAKYSCWGCXNZ-NVXWUHKLSA-N 1 0 348.443 2.827 20 5 EFBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000287452915 475153549 /nfs/dbraw/zinc/15/35/49/475153549.db2.gz QSXPZRWDIZDEGL-SNVBAGLBSA-N 1 0 331.210 2.950 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000287459944 475156811 /nfs/dbraw/zinc/15/68/11/475156811.db2.gz RYNFHHLFNRVPMS-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339378163 475174295 /nfs/dbraw/zinc/17/42/95/475174295.db2.gz CNTJRMGJNONXRP-CVEARBPZSA-N 1 0 339.823 2.543 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262122692 475178125 /nfs/dbraw/zinc/17/81/25/475178125.db2.gz VUGVSKTWZPEZCW-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292763764 475186941 /nfs/dbraw/zinc/18/69/41/475186941.db2.gz OPDNNIYJAWRRHQ-MRXNPFEDSA-N 1 0 347.415 2.611 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000609346130 480151594 /nfs/dbraw/zinc/15/15/94/480151594.db2.gz OAGMVQZBQINIFF-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281369629 475187685 /nfs/dbraw/zinc/18/76/85/475187685.db2.gz LRMLFZWYKPXHJI-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281369627 475188222 /nfs/dbraw/zinc/18/82/22/475188222.db2.gz LRMLFZWYKPXHJI-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO COc1cc(C[N@H+]([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000287561461 475195995 /nfs/dbraw/zinc/19/59/95/475195995.db2.gz BFCGUKNLYBDCLY-LLVKDONJSA-N 1 0 326.368 2.868 20 5 EFBDRO CCCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000341649181 475205651 /nfs/dbraw/zinc/20/56/51/475205651.db2.gz XKILIBRCGODJIY-ZDUSSCGKSA-N 1 0 348.403 2.940 20 5 EFBDRO Cn1ccnc1[C@@H]1N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296149089 475208760 /nfs/dbraw/zinc/20/87/60/475208760.db2.gz KJBKRJASMHOHAS-FDMDGMSGSA-N 1 0 340.383 2.951 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325681 475231845 /nfs/dbraw/zinc/23/18/45/475231845.db2.gz HQBGKJFLBLLKBT-BBRMVZONSA-N 1 0 348.334 2.710 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347333407 475239476 /nfs/dbraw/zinc/23/94/76/475239476.db2.gz YUKVXEWJMLYLGY-RHSMWYFYSA-N 1 0 344.371 2.879 20 5 EFBDRO CNc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361172424 475241626 /nfs/dbraw/zinc/24/16/26/475241626.db2.gz SKXDPBMJIRUYQP-OKILXGFUSA-N 1 0 348.447 2.734 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000361175447 475245033 /nfs/dbraw/zinc/24/50/33/475245033.db2.gz FYRPTYOXEOOXDI-WMLDXEAASA-N 1 0 333.432 2.620 20 5 EFBDRO CNc1c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361180711 475249644 /nfs/dbraw/zinc/24/96/44/475249644.db2.gz UETWBTDCTSYILC-MELADBBJSA-N 1 0 348.447 2.733 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000609385851 480156143 /nfs/dbraw/zinc/15/61/43/480156143.db2.gz FWOYQEJNANMBDF-AWEZNQCLSA-N 1 0 345.403 2.607 20 5 EFBDRO COc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354566220 475257984 /nfs/dbraw/zinc/25/79/84/475257984.db2.gz LLQCALJGIUYRPB-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(n2cncn2)CC1 ZINC000347353749 475259262 /nfs/dbraw/zinc/25/92/62/475259262.db2.gz HBKFNEOOPLMBHW-ZROIWOOFSA-N 1 0 327.388 2.927 20 5 EFBDRO COc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354566217 475259351 /nfs/dbraw/zinc/25/93/51/475259351.db2.gz LLQCALJGIUYRPB-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386473 480156384 /nfs/dbraw/zinc/15/63/84/480156384.db2.gz UQNPDDNUSASMCH-HNNXBMFYSA-N 1 0 348.447 2.694 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@H+](C)CC1 ZINC000357922723 475264232 /nfs/dbraw/zinc/26/42/32/475264232.db2.gz TWCUVKCIXUQYPP-LBPRGKRZSA-N 1 0 340.383 2.523 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000296330572 475270705 /nfs/dbraw/zinc/27/07/05/475270705.db2.gz QRYVFKYZXKTHAT-GUYCJALGSA-N 1 0 346.387 2.938 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000361211918 475272161 /nfs/dbraw/zinc/27/21/61/475272161.db2.gz RPMLCZASIRJDIK-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO CCC[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361213526 475274267 /nfs/dbraw/zinc/27/42/67/475274267.db2.gz ZELSNYYKPYLTCP-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352417613 475274280 /nfs/dbraw/zinc/27/42/80/475274280.db2.gz RJNHTAHBNZCMKX-MRXNPFEDSA-N 1 0 341.415 2.678 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+](C)CCCO)CC1 ZINC000347373178 475275187 /nfs/dbraw/zinc/27/51/87/475275187.db2.gz WRUYAQFWAQFPDK-SSZFMOIBSA-N 1 0 347.459 2.777 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000361221865 475280646 /nfs/dbraw/zinc/28/06/46/475280646.db2.gz UHIICXWCYZWIMX-QGZVFWFLSA-N 1 0 347.459 2.964 20 5 EFBDRO CNc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000361222016 475280655 /nfs/dbraw/zinc/28/06/55/475280655.db2.gz UZERKFBNTBHVBL-CQSZACIVSA-N 1 0 346.431 2.585 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1nnc2n1CCC2 ZINC000347382365 475283434 /nfs/dbraw/zinc/28/34/34/475283434.db2.gz VFDKKSQGTJAYFF-SRXBQZRASA-N 1 0 327.388 2.887 20 5 EFBDRO COC(=O)C(C)(C)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354603104 475283612 /nfs/dbraw/zinc/28/36/12/475283612.db2.gz NMIHUXLTEBGTJI-UHFFFAOYSA-N 1 0 328.796 2.970 20 5 EFBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1ccccc1F ZINC000361228043 475285995 /nfs/dbraw/zinc/28/59/95/475285995.db2.gz JOPHFULVMFOYPF-CYBMUJFWSA-N 1 0 329.331 2.629 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000347390434 475289724 /nfs/dbraw/zinc/28/97/24/475289724.db2.gz MXOHCSRBGXSLLT-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCC(C)CC1 ZINC000357958000 475292712 /nfs/dbraw/zinc/29/27/12/475292712.db2.gz ZSPLLPGMONUFQT-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347400922 475298063 /nfs/dbraw/zinc/29/80/63/475298063.db2.gz AOROQKTUIJXFDT-ZDUSSCGKSA-N 1 0 343.431 2.882 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCO[C@H]21 ZINC000296407634 475301240 /nfs/dbraw/zinc/30/12/40/475301240.db2.gz VBCNGFZUICSOFA-NWANDNLSSA-N 1 0 344.371 2.548 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347409654 475304454 /nfs/dbraw/zinc/30/44/54/475304454.db2.gz CXWYNLDBJPBSTI-CYBMUJFWSA-N 1 0 329.404 2.706 20 5 EFBDRO Cc1c(Br)c(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000347410593 475305633 /nfs/dbraw/zinc/30/56/33/475305633.db2.gz PHBAVVQLWJLDHX-UHFFFAOYSA-N 1 0 343.225 2.593 20 5 EFBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000361262774 475312443 /nfs/dbraw/zinc/31/24/43/475312443.db2.gz PKCIJNIAJPELTD-HZMBPMFUSA-N 1 0 341.371 2.715 20 5 EFBDRO Cc1cnc(NCCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000361266403 475315089 /nfs/dbraw/zinc/31/50/89/475315089.db2.gz SNFJDODZYNGLRY-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EFBDRO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000345647781 475333706 /nfs/dbraw/zinc/33/37/06/475333706.db2.gz ZDIOXUAEGYSIDN-LBPRGKRZSA-N 1 0 348.447 2.875 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296468393 475329631 /nfs/dbraw/zinc/32/96/31/475329631.db2.gz XSLMDVWLZKWVGI-KBRIMQKVSA-N 1 0 347.415 2.635 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496577 475351153 /nfs/dbraw/zinc/35/11/53/475351153.db2.gz XFIPVQHKVVVAHY-KGLIPLIRSA-N 1 0 325.434 2.503 20 5 EFBDRO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000331634503 475358517 /nfs/dbraw/zinc/35/85/17/475358517.db2.gz QTLKWOYVCSBUSF-KRWDZBQOSA-N 1 0 331.416 2.926 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358047752 475360647 /nfs/dbraw/zinc/36/06/47/475360647.db2.gz MLHWDWMFJBCWOJ-ZDUSSCGKSA-N 1 0 335.379 2.606 20 5 EFBDRO Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296540309 475361733 /nfs/dbraw/zinc/36/17/33/475361733.db2.gz NWWUOQUGAMKMGV-UHFFFAOYSA-N 1 0 327.388 2.554 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000339634226 475363910 /nfs/dbraw/zinc/36/39/10/475363910.db2.gz OUKVNTQDTHHBMV-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000348033169 475370278 /nfs/dbraw/zinc/37/02/78/475370278.db2.gz YJKNIXAGOLYUEP-GFCCVEGCSA-N 1 0 325.384 2.684 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000296563506 475371712 /nfs/dbraw/zinc/37/17/12/475371712.db2.gz PSVGUTHVXWLGIA-OAHLLOKOSA-N 1 0 347.371 2.618 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352526217 475380942 /nfs/dbraw/zinc/38/09/42/475380942.db2.gz LNWUVKAGBOJLEN-MRXNPFEDSA-N 1 0 341.358 2.772 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296590051 475385837 /nfs/dbraw/zinc/38/58/37/475385837.db2.gz WZBMFWCTCNKYEH-DYEKYZERSA-N 1 0 332.404 2.580 20 5 EFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331720939 475389938 /nfs/dbraw/zinc/38/99/38/475389938.db2.gz KIVTWWYQYBBAIF-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331722524 475391195 /nfs/dbraw/zinc/39/11/95/475391195.db2.gz KGIACPOCAOHDII-BZUAXINKSA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331732655 475396827 /nfs/dbraw/zinc/39/68/27/475396827.db2.gz QTSYPTGBFPJYQV-GOEBONIOSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331732654 475397090 /nfs/dbraw/zinc/39/70/90/475397090.db2.gz QTSYPTGBFPJYQV-GDBMZVCRSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331737977 475399465 /nfs/dbraw/zinc/39/94/65/475399465.db2.gz USPGGZRYWCIJFG-GJZGRUSLSA-N 1 0 331.416 2.990 20 5 EFBDRO CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C[NH+]1CCCC1 ZINC000361387228 475405575 /nfs/dbraw/zinc/40/55/75/475405575.db2.gz UTHVUDOFEIYDIE-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339684314 475407850 /nfs/dbraw/zinc/40/78/50/475407850.db2.gz USYSAGUPTPXPNX-AWEZNQCLSA-N 1 0 341.415 2.891 20 5 EFBDRO C[NH+]1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331768406 475409224 /nfs/dbraw/zinc/40/92/24/475409224.db2.gz BLMFTQWKDYPNAJ-HNNXBMFYSA-N 1 0 346.431 2.578 20 5 EFBDRO CC(C)[NH+]1CCN(c2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)CC1 ZINC000348128442 475413144 /nfs/dbraw/zinc/41/31/44/475413144.db2.gz ZMKIGXXFEDIDJV-UHFFFAOYSA-N 1 0 344.419 2.602 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358123088 475418799 /nfs/dbraw/zinc/41/87/99/475418799.db2.gz MJTGEOBRYCZJMR-LBPRGKRZSA-N 1 0 337.395 2.564 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000348135909 475418852 /nfs/dbraw/zinc/41/88/52/475418852.db2.gz LWIPDZCOWMZJHK-WCQYABFASA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348146034 475425510 /nfs/dbraw/zinc/42/55/10/475425510.db2.gz MOKGWKFFAUAKCJ-MNOVXSKESA-N 1 0 341.795 2.591 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296685658 475428612 /nfs/dbraw/zinc/42/86/12/475428612.db2.gz IZJRCEOSYUVQKX-RYUDHWBXSA-N 1 0 338.383 2.989 20 5 EFBDRO CC(C)[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706647 475429332 /nfs/dbraw/zinc/42/93/32/475429332.db2.gz VTJBCCSNVDUYTA-KDOFPFPSSA-N 1 0 349.431 2.652 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354819544 475436927 /nfs/dbraw/zinc/43/69/27/475436927.db2.gz OQSUQMAHTREQNX-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296714064 475443228 /nfs/dbraw/zinc/44/32/28/475443228.db2.gz MIZDGLQHKUGEDF-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000352616945 475462750 /nfs/dbraw/zinc/46/27/50/475462750.db2.gz ZGWPBVVCZUDVLK-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296771386 475469491 /nfs/dbraw/zinc/46/94/91/475469491.db2.gz LKPZQNYBBNVOHF-QMTHXVAHSA-N 1 0 325.796 2.772 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345834979 475492200 /nfs/dbraw/zinc/49/22/00/475492200.db2.gz BZCDSUAGZMJYTF-CVEARBPZSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352656512 475499301 /nfs/dbraw/zinc/49/93/01/475499301.db2.gz AXGLSRZATHUKFY-HONMWMINSA-N 1 0 332.360 2.551 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000296842420 475500532 /nfs/dbraw/zinc/50/05/32/475500532.db2.gz XHTZMMQSEZGVOL-WFASDCNBSA-N 1 0 336.413 2.885 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000296861354 475510644 /nfs/dbraw/zinc/51/06/44/475510644.db2.gz DHXKWBJHGBLPPT-GDBMZVCRSA-N 1 0 343.358 2.691 20 5 EFBDRO COCc1ccccc1/C=C(/C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352672446 475516598 /nfs/dbraw/zinc/51/65/98/475516598.db2.gz SIARDGUUIBKFFO-ZROIWOOFSA-N 1 0 330.388 2.631 20 5 EFBDRO COCc1ccccc1/C=C(\C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352672445 475516872 /nfs/dbraw/zinc/51/68/72/475516872.db2.gz SIARDGUUIBKFFO-NTEUORMPSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332126145 475521525 /nfs/dbraw/zinc/52/15/25/475521525.db2.gz CYRBDGCWFGGMSD-IHRRRGAJSA-N 1 0 332.404 2.803 20 5 EFBDRO Cc1c(CNC(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000358269036 475545194 /nfs/dbraw/zinc/54/51/94/475545194.db2.gz BJBKEEGRBSPUJE-UHFFFAOYSA-N 1 0 348.447 2.967 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332194618 475552158 /nfs/dbraw/zinc/55/21/58/475552158.db2.gz UYNFCUGPINYLLY-MRXNPFEDSA-N 1 0 346.431 2.673 20 5 EFBDRO Cc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000296963289 475554946 /nfs/dbraw/zinc/55/49/46/475554946.db2.gz CRNDHACQDSDRCU-OAHLLOKOSA-N 1 0 327.388 2.770 20 5 EFBDRO Cc1c(CNC(=O)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000358278899 475555754 /nfs/dbraw/zinc/55/57/54/475555754.db2.gz SGMISPBOUFUHGC-UHFFFAOYSA-N 1 0 336.436 2.821 20 5 EFBDRO COc1ccccc1C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000348283058 475560137 /nfs/dbraw/zinc/56/01/37/475560137.db2.gz UWBVDCKDHFTUKG-AWEZNQCLSA-N 1 0 332.404 2.694 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000339857062 475564580 /nfs/dbraw/zinc/56/45/80/475564580.db2.gz LKVMVEQXFPLINP-UHFFFAOYSA-N 1 0 333.432 2.815 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@@H]1CCCC2 ZINC000342158892 475566044 /nfs/dbraw/zinc/56/60/44/475566044.db2.gz RXMJTFYLODAGPJ-KBXCAEBGSA-N 1 0 348.399 2.769 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332226487 475566429 /nfs/dbraw/zinc/56/64/29/475566429.db2.gz ZGGYODRBUMNQIM-MELADBBJSA-N 1 0 332.404 2.803 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332240999 475570844 /nfs/dbraw/zinc/57/08/44/475570844.db2.gz IZQJQBZVUDEXEJ-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297004084 475571081 /nfs/dbraw/zinc/57/10/81/475571081.db2.gz QNKMQLGLXDTPFZ-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000358300129 475572892 /nfs/dbraw/zinc/57/28/92/475572892.db2.gz HJLBOOZIMQIIGM-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCOCC1 ZINC000297010012 475573405 /nfs/dbraw/zinc/57/34/05/475573405.db2.gz GKOVKPOKAXBFJO-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CCSC)cc1[N+](=O)[O-] ZINC000358315903 475585938 /nfs/dbraw/zinc/58/59/38/475585938.db2.gz HRLKMCXILWDAEH-DGCLKSJQSA-N 1 0 328.434 2.758 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])Cc1ccccc1 ZINC000342433444 475598072 /nfs/dbraw/zinc/59/80/72/475598072.db2.gz ZVGAFJYRNZRCLN-UHFFFAOYSA-N 1 0 329.400 2.954 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361616717 475599873 /nfs/dbraw/zinc/59/98/73/475599873.db2.gz OVLFUXVCEDGQIS-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339916172 475610679 /nfs/dbraw/zinc/61/06/79/475610679.db2.gz FRMKVWOPHVJAOA-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000355034384 475613693 /nfs/dbraw/zinc/61/36/93/475613693.db2.gz HCWBDZARJMMTDD-ZIAGYGMSSA-N 1 0 334.372 2.521 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777905 475614350 /nfs/dbraw/zinc/61/43/50/475614350.db2.gz IHKKTWUTSCFIGO-AWEZNQCLSA-N 1 0 344.415 2.792 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342606866 475617871 /nfs/dbraw/zinc/61/78/71/475617871.db2.gz QJWKEGUISJXVNY-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000352783530 475621939 /nfs/dbraw/zinc/62/19/39/475621939.db2.gz DBCTWJFSJQQSTL-UHFFFAOYSA-N 1 0 333.432 2.817 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332398324 475625141 /nfs/dbraw/zinc/62/51/41/475625141.db2.gz QRTJQZQGXAGOQZ-NUJGCVRESA-N 1 0 346.475 2.614 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297133342 475625672 /nfs/dbraw/zinc/62/56/72/475625672.db2.gz UJQCWVHQXFHUNI-YPRXJGMQSA-N 1 0 349.456 2.817 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000358370482 475625988 /nfs/dbraw/zinc/62/59/88/475625988.db2.gz CPVFAPQBCNEJGU-LLVKDONJSA-N 1 0 337.807 2.557 20 5 EFBDRO COc1ccc(OCCN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332423289 475632732 /nfs/dbraw/zinc/63/27/32/475632732.db2.gz AQWQHRKPSXTMDG-GJZGRUSLSA-N 1 0 349.431 2.541 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339948211 475633289 /nfs/dbraw/zinc/63/32/89/475633289.db2.gz OFHAQZXGDJWHOX-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1CO ZINC000361658572 475637853 /nfs/dbraw/zinc/63/78/53/475637853.db2.gz XXVBPIFBQOLWOP-AAEUAGOBSA-N 1 0 333.413 2.779 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000361659686 475639707 /nfs/dbraw/zinc/63/97/07/475639707.db2.gz IQAVMGBAYMGFEF-QWHCGFSZSA-N 1 0 346.383 2.924 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000342808261 475642414 /nfs/dbraw/zinc/64/24/14/475642414.db2.gz AVGQXJCLJGYNJF-SOLBZPMBSA-N 1 0 343.427 2.964 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332463365 475644630 /nfs/dbraw/zinc/64/46/30/475644630.db2.gz QURYYTBMZBJIDU-MRXNPFEDSA-N 1 0 335.452 2.691 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358402185 475651560 /nfs/dbraw/zinc/65/15/60/475651560.db2.gz YOKLYBKZKXHBSA-CQSZACIVSA-N 1 0 337.395 2.609 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCC[C@H](C)C1 ZINC000342923723 475655847 /nfs/dbraw/zinc/65/58/47/475655847.db2.gz FYWRPMAKWNTMGR-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000297250985 475675670 /nfs/dbraw/zinc/67/56/70/475675670.db2.gz RVRYEXIFTTWUAT-KRWDZBQOSA-N 1 0 332.404 2.771 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000358434686 475677732 /nfs/dbraw/zinc/67/77/32/475677732.db2.gz ACKISSAGRVDOLS-HNNXBMFYSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1ccc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000355120212 475680642 /nfs/dbraw/zinc/68/06/42/475680642.db2.gz GHYGBVDNDQJHCY-UHFFFAOYSA-N 1 0 325.372 2.897 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)c1ccco1 ZINC000346610414 475698028 /nfs/dbraw/zinc/69/80/28/475698028.db2.gz YCJQHBHRYNLYPS-SWLSCSKDSA-N 1 0 347.371 2.618 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)c1ccco1 ZINC000346610411 475698149 /nfs/dbraw/zinc/69/81/49/475698149.db2.gz YCJQHBHRYNLYPS-IUODEOHRSA-N 1 0 347.371 2.618 20 5 EFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000361731165 475702977 /nfs/dbraw/zinc/70/29/77/475702977.db2.gz WBXUTVGDFLZBBJ-KRWDZBQOSA-N 1 0 336.388 2.530 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355168114 475714475 /nfs/dbraw/zinc/71/44/75/475714475.db2.gz SGIZMDYILWQUAI-SNVBAGLBSA-N 1 0 346.309 2.829 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348522148 475721166 /nfs/dbraw/zinc/72/11/66/475721166.db2.gz VSQOJXWRRJQKEN-DGCLKSJQSA-N 1 0 343.330 2.673 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)n1 ZINC000348521121 475721629 /nfs/dbraw/zinc/72/16/29/475721629.db2.gz NJAPYPIXHOXORQ-HZPDHXFCSA-N 1 0 330.388 2.519 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000353150644 475722843 /nfs/dbraw/zinc/72/28/43/475722843.db2.gz SIVNKEXCYJSFID-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348531968 475731036 /nfs/dbraw/zinc/73/10/36/475731036.db2.gz MXJUWPRMHLQHGA-BIMULSAOSA-N 1 0 343.330 2.672 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348538669 475738688 /nfs/dbraw/zinc/73/86/88/475738688.db2.gz UPSFNBNPILZABE-STQMWFEESA-N 1 0 343.330 2.592 20 5 EFBDRO NC(=O)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000346674135 475754390 /nfs/dbraw/zinc/75/43/90/475754390.db2.gz TYDIQNOEIXYSIY-AWEZNQCLSA-N 1 0 347.802 2.682 20 5 EFBDRO Cc1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000340109572 475766009 /nfs/dbraw/zinc/76/60/09/475766009.db2.gz RZFPWASKBGRLRU-UHFFFAOYSA-N 1 0 338.314 2.627 20 5 EFBDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472580 475771335 /nfs/dbraw/zinc/77/13/35/475771335.db2.gz UVXKMGNOFIOTAK-ZIAGYGMSSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000340118732 475772037 /nfs/dbraw/zinc/77/20/37/475772037.db2.gz VGSTYGBTJNPGKH-HUUCEWRRSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000340118731 475772784 /nfs/dbraw/zinc/77/27/84/475772784.db2.gz VGSTYGBTJNPGKH-GJZGRUSLSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297491236 475779821 /nfs/dbraw/zinc/77/98/21/475779821.db2.gz FMKIKHYEMBQGEU-LXZKKBNFSA-N 1 0 346.431 2.782 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358584025 475785853 /nfs/dbraw/zinc/78/58/53/475785853.db2.gz PTLWRXLVPCQYIP-UONOGXRCSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358584017 475786616 /nfs/dbraw/zinc/78/66/16/475786616.db2.gz PTLWRXLVPCQYIP-KBPBESRZSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358586863 475789582 /nfs/dbraw/zinc/78/95/82/475789582.db2.gz HJNKSJAYHYVOTC-AWEZNQCLSA-N 1 0 348.447 2.823 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1COC[C@@H]1O ZINC000348648713 475798644 /nfs/dbraw/zinc/79/86/44/475798644.db2.gz RNFCUUAGTPHFNL-GJZGRUSLSA-N 1 0 334.397 2.515 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544085 475801427 /nfs/dbraw/zinc/80/14/27/475801427.db2.gz JCZOLLYUXZDMGR-XEZPLFJOSA-N 1 0 334.420 2.637 20 5 EFBDRO CS[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000297557683 475806981 /nfs/dbraw/zinc/80/69/81/475806981.db2.gz RIYJGWXXJIPCBC-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO COCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000338347880 475811002 /nfs/dbraw/zinc/81/10/02/475811002.db2.gz DFKPVGQJOAPXGC-MRXNPFEDSA-N 1 0 349.431 2.525 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340167354 475817846 /nfs/dbraw/zinc/81/78/46/475817846.db2.gz WSVSTBWCBNPGCT-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO Cn1cc(C[N@H+](C)[C@@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348706948 475827707 /nfs/dbraw/zinc/82/77/07/475827707.db2.gz IICDVADVYQZYJC-MRXNPFEDSA-N 1 0 330.388 2.606 20 5 EFBDRO CNC(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338366330 475831380 /nfs/dbraw/zinc/83/13/80/475831380.db2.gz XAAUYRWDRYPYKZ-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346763890 475838108 /nfs/dbraw/zinc/83/81/08/475838108.db2.gz FNJWSHRASCPCPN-KBPBESRZSA-N 1 0 333.432 2.814 20 5 EFBDRO Cn1nnc2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000338380474 475843863 /nfs/dbraw/zinc/84/38/63/475843863.db2.gz JRLXJKOTZXAKKA-UHFFFAOYSA-N 1 0 325.372 2.551 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000348756535 475851824 /nfs/dbraw/zinc/85/18/24/475851824.db2.gz PUVJOFBCTBQIPB-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000338408863 475876253 /nfs/dbraw/zinc/87/62/53/475876253.db2.gz KPDBSNVIPVVBPK-KGLIPLIRSA-N 1 0 349.431 2.986 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809798 475877525 /nfs/dbraw/zinc/87/75/25/475877525.db2.gz FVWOXJLWPWBVBK-OCCSQVGLSA-N 1 0 326.418 2.521 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343247497 475886048 /nfs/dbraw/zinc/88/60/48/475886048.db2.gz RUQCZFOTAUYMRD-UHFFFAOYSA-N 1 0 344.415 2.704 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358728929 475887514 /nfs/dbraw/zinc/88/75/14/475887514.db2.gz WVTVSXNFUXLFNF-IJEWVQPXSA-N 1 0 333.432 2.715 20 5 EFBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000340266594 475901168 /nfs/dbraw/zinc/90/11/68/475901168.db2.gz FEJSPPHWCZIMLV-LSDHHAIUSA-N 1 0 349.431 2.743 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000355417574 475918181 /nfs/dbraw/zinc/91/81/81/475918181.db2.gz BXPSGKYNXOHSCD-CRPZLVSXSA-N 1 0 331.416 2.846 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358768335 475919196 /nfs/dbraw/zinc/91/91/96/475919196.db2.gz UPFQCMAJGMAXGN-OAHLLOKOSA-N 1 0 349.431 2.906 20 5 EFBDRO C[C@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000355423562 475923626 /nfs/dbraw/zinc/92/36/26/475923626.db2.gz RKERRPXXYSKADB-ZDUSSCGKSA-N 1 0 332.404 2.536 20 5 EFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020427 475941760 /nfs/dbraw/zinc/94/17/60/475941760.db2.gz XKEDOZVSYHTZFR-JKSUJKDBSA-N 1 0 347.371 2.533 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000358813943 475959864 /nfs/dbraw/zinc/95/98/64/475959864.db2.gz OFLCNRTYNVPQMA-WBMJQRKESA-N 1 0 345.374 2.962 20 5 EFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000358829707 475972293 /nfs/dbraw/zinc/97/22/93/475972293.db2.gz RWUBIFAJTWVTRM-SJORKVTESA-N 1 0 335.473 2.915 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346968627 475998320 /nfs/dbraw/zinc/99/83/20/475998320.db2.gz LGFGDRDQFBZKIL-HOTGVXAUSA-N 1 0 343.383 2.567 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346972880 476001204 /nfs/dbraw/zinc/00/12/04/476001204.db2.gz NTSQAHFLSHWAEP-SJLPKXTDSA-N 1 0 343.383 2.567 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343381895 476005510 /nfs/dbraw/zinc/00/55/10/476005510.db2.gz DZYBMMRHADWKFZ-LRDDRELGSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343385980 476009847 /nfs/dbraw/zinc/00/98/47/476009847.db2.gz MBXDKJQLIMUKPK-OCCSQVGLSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343391325 476014659 /nfs/dbraw/zinc/01/46/59/476014659.db2.gz CLKWYXSMVXSWGH-NVXWUHKLSA-N 1 0 330.388 2.992 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000343392381 476015257 /nfs/dbraw/zinc/01/52/57/476015257.db2.gz WPUMVZOFTPAJQF-OAHLLOKOSA-N 1 0 335.404 2.637 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)c2ccccc2)c1 ZINC000340414643 476021211 /nfs/dbraw/zinc/02/12/11/476021211.db2.gz ILUFYGZCVTXFPG-GUDVDZBRSA-N 1 0 342.395 2.814 20 5 EFBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000349961551 476024230 /nfs/dbraw/zinc/02/42/30/476024230.db2.gz MEAHMBJSEVESII-MGPQQGTHSA-N 1 0 348.447 2.544 20 5 EFBDRO Cn1c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000347009242 476028727 /nfs/dbraw/zinc/02/87/27/476028727.db2.gz PQAAMXGJYAUSTQ-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@@H](C)C1 ZINC000362144970 476030019 /nfs/dbraw/zinc/03/00/19/476030019.db2.gz SOBATISMAQHKMS-UKRRQHHQSA-N 1 0 349.431 2.979 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000298245246 476033274 /nfs/dbraw/zinc/03/32/74/476033274.db2.gz SRKQGDVXVJKDPX-KRWDZBQOSA-N 1 0 343.383 2.589 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358913513 476035244 /nfs/dbraw/zinc/03/52/44/476035244.db2.gz DXDSHRVMHHTTMD-INIZCTEOSA-N 1 0 348.447 2.967 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000343408090 476037065 /nfs/dbraw/zinc/03/70/65/476037065.db2.gz WZTPICBIQLBOBF-CVEARBPZSA-N 1 0 330.388 2.739 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516681 476037519 /nfs/dbraw/zinc/03/75/19/476037519.db2.gz JCILKKNWPDZGIP-PBHICJAKSA-N 1 0 345.447 2.738 20 5 EFBDRO CC[NH+](CC)C[C@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520272 476042185 /nfs/dbraw/zinc/04/21/85/476042185.db2.gz NQZIGQPAGQDKPU-YOEHRIQHSA-N 1 0 345.447 2.738 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC000362162333 476042892 /nfs/dbraw/zinc/04/28/92/476042892.db2.gz LOYLKKKHXSNZFT-RHSMWYFYSA-N 1 0 349.431 2.695 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362163499 476043828 /nfs/dbraw/zinc/04/38/28/476043828.db2.gz OOHHIWSEABGPMS-UKRRQHHQSA-N 1 0 349.431 2.979 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000343425357 476052995 /nfs/dbraw/zinc/05/29/95/476052995.db2.gz YQCZJEDZQSTKNN-TVQRCGJNSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1cc(N2CCc3n[nH]c(=O)cc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000355741213 476055206 /nfs/dbraw/zinc/05/52/06/476055206.db2.gz UNXLMDZZQJSKIO-UHFFFAOYSA-N 1 0 337.339 2.510 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000298383631 476075014 /nfs/dbraw/zinc/07/50/14/476075014.db2.gz CQIQYROMZXSMJB-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000334005943 476086291 /nfs/dbraw/zinc/08/62/91/476086291.db2.gz YQTWPASNQVPKAI-UTUOFQBUSA-N 1 0 325.434 2.753 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343600591 476091273 /nfs/dbraw/zinc/09/12/73/476091273.db2.gz DILYNDYKKFXGOE-STQMWFEESA-N 1 0 327.388 2.601 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000356307798 476096201 /nfs/dbraw/zinc/09/62/01/476096201.db2.gz CNTOLTSQXODCKV-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)C1 ZINC000356307793 476097280 /nfs/dbraw/zinc/09/72/80/476097280.db2.gz CNTOLTSQXODCKV-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO C[C@@H]1C[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353584101 476100865 /nfs/dbraw/zinc/10/08/65/476100865.db2.gz DVUBUOPFRLGMHD-GFCCVEGCSA-N 1 0 332.429 2.854 20 5 EFBDRO Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000359013606 476114479 /nfs/dbraw/zinc/11/44/79/476114479.db2.gz JHZKRDKTRDHUMP-HOTGVXAUSA-N 1 0 329.404 2.811 20 5 EFBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000338703972 476120740 /nfs/dbraw/zinc/12/07/40/476120740.db2.gz BCDNLIGCIGZDEJ-XQRVVYSFSA-N 1 0 329.331 2.975 20 5 EFBDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000353611321 476123855 /nfs/dbraw/zinc/12/38/55/476123855.db2.gz CDJFHXCPRLFBJF-JTQLQIEISA-N 1 0 346.330 2.673 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000359023482 476124246 /nfs/dbraw/zinc/12/42/46/476124246.db2.gz ZOKMYXFRBPUYKS-DZGCQCFKSA-N 1 0 349.431 2.903 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000338716001 476129779 /nfs/dbraw/zinc/12/97/79/476129779.db2.gz JXUYGNATFJNMHZ-GFCCVEGCSA-N 1 0 332.356 2.990 20 5 EFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353624633 476133864 /nfs/dbraw/zinc/13/38/64/476133864.db2.gz UHMAOAXCYXEOJT-GFCCVEGCSA-N 1 0 341.367 2.819 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2nccs2)n1 ZINC000353630656 476138344 /nfs/dbraw/zinc/13/83/44/476138344.db2.gz NAULLDVXHDZDAZ-QWHCGFSZSA-N 1 0 335.433 2.954 20 5 EFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362324362 476171343 /nfs/dbraw/zinc/17/13/43/476171343.db2.gz QQLVFNLSGYYAEB-UHFFFAOYSA-N 1 0 342.367 2.954 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000344240848 476173694 /nfs/dbraw/zinc/17/36/94/476173694.db2.gz NZFMKFZLISWCFQ-QGZVFWFLSA-N 1 0 345.374 2.637 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000344240847 476174190 /nfs/dbraw/zinc/17/41/90/476174190.db2.gz NZFMKFZLISWCFQ-KRWDZBQOSA-N 1 0 345.374 2.637 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000338796273 476192820 /nfs/dbraw/zinc/19/28/20/476192820.db2.gz FZLTYVHMUBWPOL-HNNXBMFYSA-N 1 0 345.374 2.565 20 5 EFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CC1 ZINC000362359944 476194181 /nfs/dbraw/zinc/19/41/81/476194181.db2.gz QXXCADZFIAFKDO-UHFFFAOYSA-N 1 0 330.363 2.724 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccs1 ZINC000344260852 476194741 /nfs/dbraw/zinc/19/47/41/476194741.db2.gz WJBOWWRWEGVUEU-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO Cn1c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000347243214 476198422 /nfs/dbraw/zinc/19/84/22/476198422.db2.gz UQTRMXDIUDCEPI-UHFFFAOYSA-N 1 0 336.436 2.517 20 5 EFBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000350487315 476209129 /nfs/dbraw/zinc/20/91/29/476209129.db2.gz ZHACHXBDSIKAGV-CVEARBPZSA-N 1 0 349.431 2.695 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347257587 476210187 /nfs/dbraw/zinc/21/01/87/476210187.db2.gz JOZOZZUQGLQLRB-AWEZNQCLSA-N 1 0 338.383 2.976 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)s1 ZINC000353718752 476215665 /nfs/dbraw/zinc/21/56/65/476215665.db2.gz ZNTGIGYHHQFBBE-STQMWFEESA-N 1 0 348.424 2.953 20 5 EFBDRO CC[N@H+](CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1)CC1CC1 ZINC000357081751 476216139 /nfs/dbraw/zinc/21/61/39/476216139.db2.gz HUWXYQHPZARRRF-UHFFFAOYSA-N 1 0 349.479 2.662 20 5 EFBDRO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000344285394 476216204 /nfs/dbraw/zinc/21/62/04/476216204.db2.gz KKYDUDWDQBFGCO-KCXAZCMYSA-N 1 0 334.420 2.828 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340700886 476218316 /nfs/dbraw/zinc/21/83/16/476218316.db2.gz IIZHMKABOODKTG-HNNXBMFYSA-N 1 0 344.415 2.606 20 5 EFBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000340705982 476221756 /nfs/dbraw/zinc/22/17/56/476221756.db2.gz QZRJXMOWPSFYCR-KRWDZBQOSA-N 1 0 339.395 2.989 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)cs1 ZINC000344323192 476250699 /nfs/dbraw/zinc/25/06/99/476250699.db2.gz ZFMAMBPDWOEPPW-JSGCOSHPSA-N 1 0 342.367 2.983 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000362540573 476301599 /nfs/dbraw/zinc/30/15/99/476301599.db2.gz LPOZTKSNVVIEIL-STQMWFEESA-N 1 0 335.429 2.673 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000357267181 476309293 /nfs/dbraw/zinc/30/92/93/476309293.db2.gz VVZBJQGFKVXHTC-CQSZACIVSA-N 1 0 348.447 2.973 20 5 EFBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)n1C ZINC000350930927 476315586 /nfs/dbraw/zinc/31/55/86/476315586.db2.gz UKTIMXPBUVNGAL-KXUCPTDWSA-N 1 0 334.380 2.621 20 5 EFBDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000362595234 476321861 /nfs/dbraw/zinc/32/18/61/476321861.db2.gz AXMHVBFAVZLLIQ-CYBMUJFWSA-N 1 0 337.420 2.599 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000353920961 476324907 /nfs/dbraw/zinc/32/49/07/476324907.db2.gz HAUNSTXARUPGOI-MRXNPFEDSA-N 1 0 334.420 2.961 20 5 EFBDRO CCOc1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000362667902 476345923 /nfs/dbraw/zinc/34/59/23/476345923.db2.gz SHFTWMOJFPETSA-AWEZNQCLSA-N 1 0 349.431 2.683 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000357363175 476346165 /nfs/dbraw/zinc/34/61/65/476346165.db2.gz OJQPLNLBKRWUDD-GFCCVEGCSA-N 1 0 325.796 2.521 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000362671714 476346753 /nfs/dbraw/zinc/34/67/53/476346753.db2.gz LBPNKUVWURTPLT-ZJUUUORDSA-N 1 0 343.225 2.955 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000362676547 476347995 /nfs/dbraw/zinc/34/79/95/476347995.db2.gz VAHSGNKCZWRHPX-WDEREUQCSA-N 1 0 329.198 2.647 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354005843 476355982 /nfs/dbraw/zinc/35/59/82/476355982.db2.gz IQGJCRDPKWQOBR-CHWSQXEVSA-N 1 0 337.445 2.628 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000351258668 476382629 /nfs/dbraw/zinc/38/26/29/476382629.db2.gz ZJJMCGYZTPVXHN-LBPRGKRZSA-N 1 0 338.408 2.844 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000360782745 476382953 /nfs/dbraw/zinc/38/29/53/476382953.db2.gz PPYVRCNEWMKYEW-UHFFFAOYSA-N 1 0 341.415 2.902 20 5 EFBDRO Cc1c(Cc2noc([C@H]3CN(C(C)C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351286879 476397009 /nfs/dbraw/zinc/39/70/09/476397009.db2.gz PGRAWTJOBRTSAE-OAHLLOKOSA-N 1 0 346.387 2.659 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000362820813 476426916 /nfs/dbraw/zinc/42/69/16/476426916.db2.gz RLDZWWDKHZOAKQ-MRXNPFEDSA-N 1 0 337.420 2.510 20 5 EFBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522877 476429950 /nfs/dbraw/zinc/42/99/50/476429950.db2.gz KNGNMWSAXLJTEY-KBPBESRZSA-N 1 0 335.404 2.731 20 5 EFBDRO O=C(CC[N@@H+]1CCCc2occc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000377516930 476430702 /nfs/dbraw/zinc/43/07/02/476430702.db2.gz BBPJAKRQDIUFLQ-UHFFFAOYSA-N 1 0 329.356 2.965 20 5 EFBDRO CSc1cccc(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000362839765 476434232 /nfs/dbraw/zinc/43/42/32/476434232.db2.gz REIXNSCTYIOMSI-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cccc(SC)c1[N+](=O)[O-])C(C)C ZINC000362845112 476438775 /nfs/dbraw/zinc/43/87/75/476438775.db2.gz ZUXRSXWGSAJZAD-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO CN1CCC2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000369650248 476459074 /nfs/dbraw/zinc/45/90/74/476459074.db2.gz UIWBUYKPDNUQHV-GQCTYLIASA-N 1 0 329.400 2.552 20 5 EFBDRO CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000377589950 476464721 /nfs/dbraw/zinc/46/47/21/476464721.db2.gz VKGVMJUPEJITLZ-NSHDSACASA-N 1 0 346.412 2.682 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357585925 476472542 /nfs/dbraw/zinc/47/25/42/476472542.db2.gz XKLCQDAPXSYAKC-ZDUSSCGKSA-N 1 0 336.436 2.874 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@H](O)c3ccccc3)CC2)n1 ZINC000377608940 476472843 /nfs/dbraw/zinc/47/28/43/476472843.db2.gz VCQJACHAZMLGDL-INIZCTEOSA-N 1 0 330.388 2.552 20 5 EFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000369693563 476479798 /nfs/dbraw/zinc/47/97/98/476479798.db2.gz UCFVHDPUSUWESH-UHFFFAOYSA-N 1 0 328.372 2.701 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000369691233 476480056 /nfs/dbraw/zinc/48/00/56/476480056.db2.gz CXVWUKACNIMEIA-UHFFFAOYSA-N 1 0 345.359 2.845 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000363667989 476485756 /nfs/dbraw/zinc/48/57/56/476485756.db2.gz ATGNIDJKDPQESF-RWMBFGLXSA-N 1 0 335.429 2.516 20 5 EFBDRO O=C1CCCN1C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000360938732 476489432 /nfs/dbraw/zinc/48/94/32/476489432.db2.gz DGFRMYZPYRAHOD-HNNXBMFYSA-N 1 0 335.379 2.711 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000360946325 476493568 /nfs/dbraw/zinc/49/35/68/476493568.db2.gz UTZAPCQLDKGULD-IIAWOOMASA-N 1 0 333.432 2.715 20 5 EFBDRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363683323 476493659 /nfs/dbraw/zinc/49/36/59/476493659.db2.gz CRBIMXJFXAHZHI-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000360946328 476494214 /nfs/dbraw/zinc/49/42/14/476494214.db2.gz UTZAPCQLDKGULD-SQWLQELKSA-N 1 0 333.432 2.715 20 5 EFBDRO Cc1cc(NCc2ccc(N(C)C)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360949384 476495957 /nfs/dbraw/zinc/49/59/57/476495957.db2.gz KANDHZWZEMADIA-UHFFFAOYSA-N 1 0 337.383 2.946 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362946912 476496234 /nfs/dbraw/zinc/49/62/34/476496234.db2.gz DKKMQGLOFUDXJI-CHWSQXEVSA-N 1 0 337.807 2.534 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000362963096 476505562 /nfs/dbraw/zinc/50/55/62/476505562.db2.gz ICKJTPVHJDILTD-UHFFFAOYSA-N 1 0 330.384 2.858 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000351986767 476513757 /nfs/dbraw/zinc/51/37/57/476513757.db2.gz METKYCMVGLFXFA-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363012123 476528465 /nfs/dbraw/zinc/52/84/65/476528465.db2.gz ZQMFMBAWJSHUEF-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO O=C1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2(CCC2)N1 ZINC000374808884 476538409 /nfs/dbraw/zinc/53/84/09/476538409.db2.gz OJJVLKBOUMERQX-HZPDHXFCSA-N 1 0 329.400 2.763 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000361042060 476560735 /nfs/dbraw/zinc/56/07/35/476560735.db2.gz IBJVBHDBHOHBMK-UHFFFAOYSA-N 1 0 335.383 2.932 20 5 EFBDRO COc1cc(C[NH2+]CCSCC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000354290183 476563310 /nfs/dbraw/zinc/56/33/10/476563310.db2.gz RWGOXIUUKVDDBL-UHFFFAOYSA-N 1 0 340.323 2.694 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000357735609 476567682 /nfs/dbraw/zinc/56/76/82/476567682.db2.gz YLXOMFAKZVJPOU-ZIAGYGMSSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCOC1 ZINC000352230140 476568957 /nfs/dbraw/zinc/56/89/57/476568957.db2.gz IFLFCWHYXZHFLF-OAHLLOKOSA-N 1 0 331.372 2.903 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361077870 476585382 /nfs/dbraw/zinc/58/53/82/476585382.db2.gz DFFLSKWATNQDNK-KNXALSJPSA-N 1 0 349.456 2.580 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000374907713 476586682 /nfs/dbraw/zinc/58/66/82/476586682.db2.gz FWBGTZVRLRUPHA-MRXNPFEDSA-N 1 0 334.416 2.921 20 5 EFBDRO Cc1nc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000357777834 476595537 /nfs/dbraw/zinc/59/55/37/476595537.db2.gz KJQZSTFLIYWQPE-LLVKDONJSA-N 1 0 346.387 2.749 20 5 EFBDRO CC(C)CCc1noc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365513125 476598747 /nfs/dbraw/zinc/59/87/47/476598747.db2.gz ODIOXPXJCNYVAN-UHFFFAOYSA-N 1 0 348.407 2.600 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000361134394 476626609 /nfs/dbraw/zinc/62/66/09/476626609.db2.gz FNBMJZRNOWYZHZ-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)C ZINC000357835491 476638900 /nfs/dbraw/zinc/63/89/00/476638900.db2.gz PBLNMMYPCXIFKN-VXGBXAGGSA-N 1 0 325.434 2.532 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354417778 476650139 /nfs/dbraw/zinc/65/01/39/476650139.db2.gz DJSUDGSDYSHQBA-LSDHHAIUSA-N 1 0 348.447 2.728 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000357853602 476650291 /nfs/dbraw/zinc/65/02/91/476650291.db2.gz ZNDBFTKGZPXOSM-IAQYHMDHSA-N 1 0 337.395 2.610 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360089 476661992 /nfs/dbraw/zinc/66/19/92/476661992.db2.gz LUGCQMAYVLDKOM-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000429774103 476687831 /nfs/dbraw/zinc/68/78/31/476687831.db2.gz MLAKROQGMHLHLF-DZGCQCFKSA-N 1 0 349.431 2.715 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000365798489 476705413 /nfs/dbraw/zinc/70/54/13/476705413.db2.gz VIHRZKBSAIUYNH-ZDUSSCGKSA-N 1 0 335.360 2.752 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000365823310 476716179 /nfs/dbraw/zinc/71/61/79/476716179.db2.gz VCMVOGWVINKMEY-UHFFFAOYSA-N 1 0 334.351 2.776 20 5 EFBDRO Cc1cccc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365823069 476716802 /nfs/dbraw/zinc/71/68/02/476716802.db2.gz UFEXGRINTCLTFI-UHFFFAOYSA-N 1 0 330.388 2.816 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444671276 476726109 /nfs/dbraw/zinc/72/61/09/476726109.db2.gz FXOAHROWTZXQCQ-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422710813 476739897 /nfs/dbraw/zinc/73/98/97/476739897.db2.gz GDJALHZTVROAEM-CXAGYDPISA-N 1 0 329.400 2.652 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000382463315 476742298 /nfs/dbraw/zinc/74/22/98/476742298.db2.gz YHJBWXZJKVTPGW-IUCAKERBSA-N 1 0 329.198 2.600 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422720391 476742948 /nfs/dbraw/zinc/74/29/48/476742948.db2.gz SKCVOQFXWFOYJQ-LLVKDONJSA-N 1 0 330.388 2.616 20 5 EFBDRO C[NH2+][C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422760205 476764683 /nfs/dbraw/zinc/76/46/83/476764683.db2.gz GMQGWBQHKSJZTJ-NSHDSACASA-N 1 0 343.836 2.551 20 5 EFBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000452017467 476776512 /nfs/dbraw/zinc/77/65/12/476776512.db2.gz NLNALTOEBANDSB-SHTZXODSSA-N 1 0 330.388 2.678 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452032371 476783053 /nfs/dbraw/zinc/78/30/53/476783053.db2.gz CWLRTTVVDBFXRB-IXDOHACOSA-N 1 0 347.415 2.637 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000375333050 476783903 /nfs/dbraw/zinc/78/39/03/476783903.db2.gz FABVNENOCIDILU-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224478 476784109 /nfs/dbraw/zinc/78/41/09/476784109.db2.gz KEVIHCKFGQUWCM-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000445886506 476788459 /nfs/dbraw/zinc/78/84/59/476788459.db2.gz NZLIUBFUGIEWKA-LLVKDONJSA-N 1 0 333.310 2.760 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000370392394 476788818 /nfs/dbraw/zinc/78/88/18/476788818.db2.gz YPBMBWXJZCXTGO-GXTWGEPZSA-N 1 0 328.372 2.540 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452040903 476789758 /nfs/dbraw/zinc/78/97/58/476789758.db2.gz RCLZTJLUWLDMFM-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422825947 476797237 /nfs/dbraw/zinc/79/72/37/476797237.db2.gz BFFKLLWUYNAGDX-LLVKDONJSA-N 1 0 345.852 2.830 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422825956 476797415 /nfs/dbraw/zinc/79/74/15/476797415.db2.gz BFFKLLWUYNAGDX-NSHDSACASA-N 1 0 345.852 2.830 20 5 EFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000422840851 476804746 /nfs/dbraw/zinc/80/47/46/476804746.db2.gz CEXNFIXAGPTABP-GXSJLCMTSA-N 1 0 343.836 2.536 20 5 EFBDRO COc1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1C ZINC000422888709 476828573 /nfs/dbraw/zinc/82/85/73/476828573.db2.gz NNYQAISFSQLNAN-LBPRGKRZSA-N 1 0 343.383 2.862 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457023366 476834500 /nfs/dbraw/zinc/83/45/00/476834500.db2.gz GVALJERVQQFSEU-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452121327 476840086 /nfs/dbraw/zinc/84/00/86/476840086.db2.gz SOPZSINPMZCOPI-HNNXBMFYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457051352 476847006 /nfs/dbraw/zinc/84/70/06/476847006.db2.gz HZNCBJTXQHBZKU-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C[NH3+] ZINC000430541205 476850595 /nfs/dbraw/zinc/85/05/95/476850595.db2.gz AYFJMAARHZBFSH-XJKSGUPXSA-N 1 0 344.415 2.852 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457059752 476852673 /nfs/dbraw/zinc/85/26/73/476852673.db2.gz QQZYUVCYFVHKTC-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000375472427 476857270 /nfs/dbraw/zinc/85/72/70/476857270.db2.gz NRKHTQUXZRNKEN-AEFFLSMTSA-N 1 0 333.432 2.636 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000457070553 476857286 /nfs/dbraw/zinc/85/72/86/476857286.db2.gz GZIHOEAHDCVEKF-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457078029 476861067 /nfs/dbraw/zinc/86/10/67/476861067.db2.gz AIHBICXQDWIVGI-CYBMUJFWSA-N 1 0 342.399 2.698 20 5 EFBDRO CC[N@H+](CCNC(=O)c1c(C)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000446343943 476865865 /nfs/dbraw/zinc/86/58/65/476865865.db2.gz YGRAXHSFSTUFIU-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)c1 ZINC000430579580 476867248 /nfs/dbraw/zinc/86/72/48/476867248.db2.gz YSVRHECTISRGMG-CABCVRRESA-N 1 0 342.399 2.619 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC[N@@H+]1C ZINC000446418204 476874046 /nfs/dbraw/zinc/87/40/46/476874046.db2.gz NLYZNPFGSDWCRO-CXAGYDPISA-N 1 0 349.434 2.894 20 5 EFBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430593319 476874630 /nfs/dbraw/zinc/87/46/30/476874630.db2.gz SEFPWZITVKMXJV-AWEZNQCLSA-N 1 0 348.447 2.552 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000457102433 476875508 /nfs/dbraw/zinc/87/55/08/476875508.db2.gz ZXHDUEOMNHQWKW-LBPRGKRZSA-N 1 0 330.388 2.631 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457105379 476876927 /nfs/dbraw/zinc/87/69/27/476876927.db2.gz CFGFRMMFVQUDAU-MRXNPFEDSA-N 1 0 333.432 2.814 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000430633763 476885179 /nfs/dbraw/zinc/88/51/79/476885179.db2.gz QDOZYYZDTAAWED-HNNXBMFYSA-N 1 0 335.404 2.502 20 5 EFBDRO C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947070 476895067 /nfs/dbraw/zinc/89/50/67/476895067.db2.gz KJJWGODSZODPPM-DGCLKSJQSA-N 1 0 332.429 2.948 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000446619002 476896327 /nfs/dbraw/zinc/89/63/27/476896327.db2.gz ZBCINVSTSSIFAX-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414954052 476899649 /nfs/dbraw/zinc/89/96/49/476899649.db2.gz SEAMBTKQWNUYDM-VIFPVBQESA-N 1 0 346.334 2.835 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000370623190 476900293 /nfs/dbraw/zinc/90/02/93/476900293.db2.gz WFBFMCPEDRLBPP-HNNXBMFYSA-N 1 0 344.415 2.792 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414955317 476900706 /nfs/dbraw/zinc/90/07/06/476900706.db2.gz OJVOGIDKBVOQPM-NHYWBVRUSA-N 1 0 332.429 2.948 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457163758 476907396 /nfs/dbraw/zinc/90/73/96/476907396.db2.gz HYGZFTLUQUWILO-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000423059841 476910634 /nfs/dbraw/zinc/91/06/34/476910634.db2.gz MWYIHSZIYMFGEW-QGZVFWFLSA-N 1 0 341.411 2.980 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404268365 476914594 /nfs/dbraw/zinc/91/45/94/476914594.db2.gz IYCKXJXORZQQCH-GWCFXTLKSA-N 1 0 325.796 2.838 20 5 EFBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000430808099 476920094 /nfs/dbraw/zinc/92/00/94/476920094.db2.gz XTILOWRBFUAKQA-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000415424011 476924498 /nfs/dbraw/zinc/92/44/98/476924498.db2.gz ZYTYUAOCXLSGEC-CQSZACIVSA-N 1 0 332.404 2.757 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000452343558 476924440 /nfs/dbraw/zinc/92/44/40/476924440.db2.gz LLGZJKLKSCGXTI-ZDUSSCGKSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C[NH2+]1 ZINC000415429216 476924898 /nfs/dbraw/zinc/92/48/98/476924898.db2.gz AXLSQKPKLJHGCA-RKDXNWHRSA-N 1 0 346.309 2.828 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452343092 476925254 /nfs/dbraw/zinc/92/52/54/476925254.db2.gz VEQGVSVBYYVTRC-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415432898 476926378 /nfs/dbraw/zinc/92/63/78/476926378.db2.gz GJZIXNWCPNESDA-SECBINFHSA-N 1 0 346.309 2.687 20 5 EFBDRO COC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446929447 476934079 /nfs/dbraw/zinc/93/40/79/476934079.db2.gz KIBPMVQOWNMLHG-SFHVURJKSA-N 1 0 336.432 2.949 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000446965241 476938310 /nfs/dbraw/zinc/93/83/10/476938310.db2.gz LRIABZSPTPWAOC-UHFFFAOYSA-N 1 0 333.413 2.690 20 5 EFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423188199 476959846 /nfs/dbraw/zinc/95/98/46/476959846.db2.gz PUJINQVNHNFEII-KRWDZBQOSA-N 1 0 331.416 2.777 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNCc1cccnc1 ZINC000423194548 476960474 /nfs/dbraw/zinc/96/04/74/476960474.db2.gz YYUOGMFMOXLFMU-HNNXBMFYSA-N 1 0 328.416 2.690 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262593 476978850 /nfs/dbraw/zinc/97/88/50/476978850.db2.gz MVCBVYMADURQQF-CXAGYDPISA-N 1 0 348.447 2.809 20 5 EFBDRO CCCC[C@@H](C[NH3+])N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423297786 476985046 /nfs/dbraw/zinc/98/50/46/476985046.db2.gz LWAPLKMILIUPDP-GOEBONIOSA-N 1 0 331.420 2.525 20 5 EFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000457417705 477012520 /nfs/dbraw/zinc/01/25/20/477012520.db2.gz LISIBAYXDUBTCP-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564246 477013845 /nfs/dbraw/zinc/01/38/45/477013845.db2.gz WDHJTADHHUAWRJ-ARFHVFGLSA-N 1 0 338.452 2.909 20 5 EFBDRO COc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416090506 477014291 /nfs/dbraw/zinc/01/42/91/477014291.db2.gz DPTNYTLJJLHBRM-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC1(C)CCCN[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423398469 477017727 /nfs/dbraw/zinc/01/77/27/477017727.db2.gz VMAYTOUTUGOHLL-RRFJBIMHSA-N 1 0 335.452 2.643 20 5 EFBDRO CC1(C)CCCN[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423398467 477018306 /nfs/dbraw/zinc/01/83/06/477018306.db2.gz VMAYTOUTUGOHLL-RBSFLKMASA-N 1 0 335.452 2.643 20 5 EFBDRO CN(C)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447589643 477018706 /nfs/dbraw/zinc/01/87/06/477018706.db2.gz YTHOYUSLKGSGBH-GJZGRUSLSA-N 1 0 344.419 2.526 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000370906333 477032349 /nfs/dbraw/zinc/03/23/49/477032349.db2.gz VGNBOWRIYINCFR-HNNXBMFYSA-N 1 0 343.431 2.820 20 5 EFBDRO C[C@@H](CCCC[NH3+])N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423435515 477033197 /nfs/dbraw/zinc/03/31/97/477033197.db2.gz OTFJCEDXZNBNAB-XJKSGUPXSA-N 1 0 331.420 2.525 20 5 EFBDRO CCc1ccc([C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423435502 477033880 /nfs/dbraw/zinc/03/38/80/477033880.db2.gz OSLIWXCUSIOUEG-CIRFHOKZSA-N 1 0 327.384 2.647 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000410642146 477034610 /nfs/dbraw/zinc/03/46/10/477034610.db2.gz XSNSEALYWQYUKL-UONOGXRCSA-N 1 0 333.432 2.814 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000370920017 477037845 /nfs/dbraw/zinc/03/78/45/477037845.db2.gz YPPYSSWWLJCOTK-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423464728 477039912 /nfs/dbraw/zinc/03/99/12/477039912.db2.gz HDGWRYPQAUEPJD-SWKMLJDHSA-N 1 0 337.807 2.884 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000423468549 477041205 /nfs/dbraw/zinc/04/12/05/477041205.db2.gz BKHBMTSYXSMOOU-CVEARBPZSA-N 1 0 329.404 2.955 20 5 EFBDRO C[NH+](C)[C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000416158245 477045844 /nfs/dbraw/zinc/04/58/44/477045844.db2.gz SGYMPGMIGDTHQX-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2C1 ZINC000423502099 477051699 /nfs/dbraw/zinc/05/16/99/477051699.db2.gz JMRWIEZBQLQLGL-JTQLQIEISA-N 1 0 346.774 2.712 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+](C)C1CC1 ZINC000447814438 477065836 /nfs/dbraw/zinc/06/58/36/477065836.db2.gz YBUZUCXKYWKLFW-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO COCCN(Cc1cncs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000447827520 477068088 /nfs/dbraw/zinc/06/80/88/477068088.db2.gz BXTDNNZRZKBXAK-UHFFFAOYSA-N 1 0 337.401 2.709 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375903507 477072652 /nfs/dbraw/zinc/07/26/52/477072652.db2.gz SFAOZMTZHICJBD-ABAIWWIYSA-N 1 0 337.807 2.947 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423576921 477073267 /nfs/dbraw/zinc/07/32/67/477073267.db2.gz RPRDQRNWDMDQAO-GLQYFDAESA-N 1 0 349.456 2.906 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423584326 477076129 /nfs/dbraw/zinc/07/61/29/477076129.db2.gz DGZGTYWIVCIMGI-UHFFFAOYSA-N 1 0 341.367 2.527 20 5 EFBDRO CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000423596436 477079536 /nfs/dbraw/zinc/07/95/36/477079536.db2.gz RRAKMNQSCKLXKA-UHFFFAOYSA-N 1 0 343.836 2.599 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000366582443 477080309 /nfs/dbraw/zinc/08/03/09/477080309.db2.gz OQUJASUWFOAXSE-CYBMUJFWSA-N 1 0 332.360 2.674 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423606526 477082885 /nfs/dbraw/zinc/08/28/85/477082885.db2.gz INBVZKXBZFOOKC-DLBZAZTESA-N 1 0 339.395 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366599923 477088894 /nfs/dbraw/zinc/08/88/94/477088894.db2.gz XABOTDIGIJJKGC-QGZVFWFLSA-N 1 0 332.404 2.771 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423619891 477089330 /nfs/dbraw/zinc/08/93/30/477089330.db2.gz WDBQUMMDIOUZAO-HNNXBMFYSA-N 1 0 342.399 2.651 20 5 EFBDRO Cc1c(CC(=O)N(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000423644730 477098088 /nfs/dbraw/zinc/09/80/88/477098088.db2.gz NRCWOKOEOYNQEB-UHFFFAOYSA-N 1 0 333.432 2.813 20 5 EFBDRO Cc1c(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cccc1[N+](=O)[O-] ZINC000423647260 477098381 /nfs/dbraw/zinc/09/83/81/477098381.db2.gz AVVZULHNUMDHNW-UHFFFAOYSA-N 1 0 341.367 2.566 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423652715 477101111 /nfs/dbraw/zinc/10/11/11/477101111.db2.gz WCAIGCLBDJHHNI-LSDHHAIUSA-N 1 0 331.416 2.638 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423685066 477108514 /nfs/dbraw/zinc/10/85/14/477108514.db2.gz IKTWYBYWBPPPJD-RISCZKNCSA-N 1 0 335.429 2.531 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000447982657 477109293 /nfs/dbraw/zinc/10/92/93/477109293.db2.gz MHABJLJHYWNQOG-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423693228 477111871 /nfs/dbraw/zinc/11/18/71/477111871.db2.gz FAASTKVHDLFWKS-NEPJUHHUSA-N 1 0 337.445 2.954 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448028090 477119579 /nfs/dbraw/zinc/11/95/79/477119579.db2.gz BHITWPMJEUZRGW-INIZCTEOSA-N 1 0 348.447 2.857 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723136 477122921 /nfs/dbraw/zinc/12/29/21/477122921.db2.gz LDCKPRGPAUCCBK-CZUORRHYSA-N 1 0 331.416 2.993 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731688 477125487 /nfs/dbraw/zinc/12/54/87/477125487.db2.gz YAODUZSAZNNSKX-WMLDXEAASA-N 1 0 331.416 2.993 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000432044211 477143073 /nfs/dbraw/zinc/14/30/73/477143073.db2.gz AMSXISUBVUFPRN-CABCVRRESA-N 1 0 349.431 2.613 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411203480 477152521 /nfs/dbraw/zinc/15/25/21/477152521.db2.gz RIJCCPAXZNNNHO-DLBZAZTESA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)(C)C[N@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411258394 477173082 /nfs/dbraw/zinc/17/30/82/477173082.db2.gz VYKWRZDKJDXKGW-UHFFFAOYSA-N 1 0 337.420 2.654 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000366758746 477173314 /nfs/dbraw/zinc/17/33/14/477173314.db2.gz OMAPOKWDCJFFLH-AWEZNQCLSA-N 1 0 330.388 2.717 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857205 477188890 /nfs/dbraw/zinc/18/88/90/477188890.db2.gz YEBVQWCYTQJFGK-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO Cc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000432389407 477208007 /nfs/dbraw/zinc/20/80/07/477208007.db2.gz VKJIEHUIACSIOW-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000453376489 477218361 /nfs/dbraw/zinc/21/83/61/477218361.db2.gz XHVFSMWGBKOAOV-UMVBOHGHSA-N 1 0 340.445 2.859 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453384025 477219714 /nfs/dbraw/zinc/21/97/14/477219714.db2.gz TUAOSJGWACWYNS-KDOFPFPSSA-N 1 0 347.415 2.814 20 5 EFBDRO CC1(C)CCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389747 477220228 /nfs/dbraw/zinc/22/02/28/477220228.db2.gz GKWQHYUVHRDMJQ-CABCVRRESA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000453408604 477222909 /nfs/dbraw/zinc/22/29/09/477222909.db2.gz FLWMVLUBIZJAPV-JKSUJKDBSA-N 1 0 329.404 2.811 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411416430 477227330 /nfs/dbraw/zinc/22/73/30/477227330.db2.gz OJDOXPANPVIOKH-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945354 477228043 /nfs/dbraw/zinc/22/80/43/477228043.db2.gz AUTRXKXSHRWDIE-GXFFZTMASA-N 1 0 325.434 2.565 20 5 EFBDRO CCOc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371316310 477237237 /nfs/dbraw/zinc/23/72/37/477237237.db2.gz CRHFGLANERJBGN-IMJJTQAJSA-N 1 0 349.431 2.507 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446937 477237885 /nfs/dbraw/zinc/23/78/85/477237885.db2.gz OWAUJAFDXDUREG-KRWDZBQOSA-N 1 0 343.383 2.637 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411450317 477238756 /nfs/dbraw/zinc/23/87/56/477238756.db2.gz YANPJARFWIVWLB-KRWDZBQOSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000453582667 477241665 /nfs/dbraw/zinc/24/16/65/477241665.db2.gz WZMKZOVHJIGMLU-OAHLLOKOSA-N 1 0 326.400 2.916 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC(=O)N1 ZINC000453585908 477242900 /nfs/dbraw/zinc/24/29/00/477242900.db2.gz HUFLYEIDDYKGGM-KRWDZBQOSA-N 1 0 329.356 2.613 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978654 477243166 /nfs/dbraw/zinc/24/31/66/477243166.db2.gz MXZPIJSFETWFHZ-UHFFFAOYSA-N 1 0 346.412 2.700 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000411475529 477250233 /nfs/dbraw/zinc/25/02/33/477250233.db2.gz SITWHJAOEJMBTI-HUUCEWRRSA-N 1 0 347.415 2.739 20 5 EFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000432863417 477280248 /nfs/dbraw/zinc/28/02/48/477280248.db2.gz DGVLNYMMCBPSSW-LBPRGKRZSA-N 1 0 341.383 2.655 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458167279 477298136 /nfs/dbraw/zinc/29/81/36/477298136.db2.gz MLESRHAYWHZHNB-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000367032464 477307329 /nfs/dbraw/zinc/30/73/29/477307329.db2.gz ZGVKTGPHAHRWEQ-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371420129 477307839 /nfs/dbraw/zinc/30/78/39/477307839.db2.gz TYSVFPSTEFHHIP-CQSZACIVSA-N 1 0 341.358 2.866 20 5 EFBDRO C[N@H+](CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454644153 477308001 /nfs/dbraw/zinc/30/80/01/477308001.db2.gz OBTULCWJHPCKGL-OAHLLOKOSA-N 1 0 346.431 2.578 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000458186559 477311070 /nfs/dbraw/zinc/31/10/70/477311070.db2.gz LEIIVIIGLYJONW-CYBMUJFWSA-N 1 0 337.445 2.535 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458192872 477314012 /nfs/dbraw/zinc/31/40/12/477314012.db2.gz PIEYNYWAEVXCTM-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000458205567 477317939 /nfs/dbraw/zinc/31/79/39/477317939.db2.gz ZNHDIWZCCQLTFN-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000424191040 477323585 /nfs/dbraw/zinc/32/35/85/477323585.db2.gz QMYQMSPUSDGHSU-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO Nc1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000376445418 477337299 /nfs/dbraw/zinc/33/72/99/477337299.db2.gz BFZNNZUETDYXLL-UHFFFAOYSA-N 1 0 327.388 2.901 20 5 EFBDRO COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1F ZINC000367086546 477338040 /nfs/dbraw/zinc/33/80/40/477338040.db2.gz URCNUDZOXDWBJE-UHFFFAOYSA-N 1 0 334.351 2.776 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000376446134 477339285 /nfs/dbraw/zinc/33/92/85/477339285.db2.gz FJBUQZRCDIVYKY-ABAIWWIYSA-N 1 0 337.807 2.947 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000367128320 477355650 /nfs/dbraw/zinc/35/56/50/477355650.db2.gz ZJFMJMDYTAKVDK-BBRMVZONSA-N 1 0 347.415 2.550 20 5 EFBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000424296825 477362309 /nfs/dbraw/zinc/36/23/09/477362309.db2.gz PKQHBBXSTKBAHU-MRXNPFEDSA-N 1 0 340.445 2.777 20 5 EFBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000411785166 477366311 /nfs/dbraw/zinc/36/63/11/477366311.db2.gz BDKFQSXZIQMHHU-HZPDHXFCSA-N 1 0 347.415 2.813 20 5 EFBDRO COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314265 477368201 /nfs/dbraw/zinc/36/82/01/477368201.db2.gz ZUOAHWRXHPRAPP-UKRRQHHQSA-N 1 0 342.399 2.894 20 5 EFBDRO [NH3+]C1(c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)CCCCC1 ZINC000424351175 477377505 /nfs/dbraw/zinc/37/75/05/477377505.db2.gz YHLBBEXGXKIXPZ-UHFFFAOYSA-N 1 0 328.332 2.639 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376520588 477379762 /nfs/dbraw/zinc/37/97/62/477379762.db2.gz OKBATUMKNCYBMV-WBMJQRKESA-N 1 0 330.388 2.512 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411971584 477401223 /nfs/dbraw/zinc/40/12/23/477401223.db2.gz UERVPZCZIXDMGY-LIRRHRJNSA-N 1 0 339.395 2.785 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000412040919 477406883 /nfs/dbraw/zinc/40/68/83/477406883.db2.gz LBNLVHLUUCZLID-FGTMMUONSA-N 1 0 343.427 2.785 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449057084 477415321 /nfs/dbraw/zinc/41/53/21/477415321.db2.gz AVEGUYNYDANJDB-FUHWJXTLSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000449088925 477432617 /nfs/dbraw/zinc/43/26/17/477432617.db2.gz CCNAWZOASCJRME-LSDHHAIUSA-N 1 0 341.411 2.820 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000449089278 477433058 /nfs/dbraw/zinc/43/30/58/477433058.db2.gz JROGJUFDECEBHZ-STQMWFEESA-N 1 0 345.365 3.000 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000449088762 477433465 /nfs/dbraw/zinc/43/34/65/477433465.db2.gz CCNAWZOASCJRME-HUUCEWRRSA-N 1 0 341.411 2.820 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000449103353 477440338 /nfs/dbraw/zinc/44/03/38/477440338.db2.gz PSWBTAYKBJZYJZ-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000449112428 477444049 /nfs/dbraw/zinc/44/40/49/477444049.db2.gz CIIJBTVFOGSZAX-ILXRZTDVSA-N 1 0 333.432 2.905 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000449121863 477448988 /nfs/dbraw/zinc/44/89/88/477448988.db2.gz IXHWNFSYPZSJPK-WMLDXEAASA-N 1 0 339.395 2.921 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000449127061 477450557 /nfs/dbraw/zinc/45/05/57/477450557.db2.gz WBEXWZNKBPOKBI-GDBMZVCRSA-N 1 0 341.415 2.574 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000449131704 477453628 /nfs/dbraw/zinc/45/36/28/477453628.db2.gz OYXXRLZKQZGJPG-UHFFFAOYSA-N 1 0 331.372 2.740 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413001378 477468402 /nfs/dbraw/zinc/46/84/02/477468402.db2.gz PJTLWNZZLNXJKB-OAHLLOKOSA-N 1 0 346.387 2.674 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449182592 477474280 /nfs/dbraw/zinc/47/42/80/477474280.db2.gz BPMYVCYLNXEYJN-NEPJUHHUSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040300 477482273 /nfs/dbraw/zinc/48/22/73/477482273.db2.gz TVFVNWGCPCQQKZ-MRXNPFEDSA-N 1 0 344.415 2.912 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449204852 477485740 /nfs/dbraw/zinc/48/57/40/477485740.db2.gz JVCGFUCZSLDBHK-GJZGRUSLSA-N 1 0 345.443 2.721 20 5 EFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000419365139 477499312 /nfs/dbraw/zinc/49/93/12/477499312.db2.gz FOCZJMVCOSQBCS-UHFFFAOYSA-N 1 0 331.420 2.777 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413080096 477505459 /nfs/dbraw/zinc/50/54/59/477505459.db2.gz FFIPTVJXPHNVPL-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000449251268 477508290 /nfs/dbraw/zinc/50/82/90/477508290.db2.gz PODBXSAKVBRTRU-UHFFFAOYSA-N 1 0 349.431 2.618 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000449264297 477515317 /nfs/dbraw/zinc/51/53/17/477515317.db2.gz OJADJNWMUVCJKS-RPVQJOFSSA-N 1 0 344.415 2.769 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376824830 477518872 /nfs/dbraw/zinc/51/88/72/477518872.db2.gz YCWTYVYHWDYUAB-CABCVRRESA-N 1 0 331.416 2.877 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000449286910 477525558 /nfs/dbraw/zinc/52/55/58/477525558.db2.gz VOYBAKYGYXUTRV-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000449288958 477526444 /nfs/dbraw/zinc/52/64/44/477526444.db2.gz PNPCXDYJYABFIP-GDBMZVCRSA-N 1 0 343.431 2.518 20 5 EFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000371857476 477528938 /nfs/dbraw/zinc/52/89/38/477528938.db2.gz FXFAALUAROOMCM-MRXNPFEDSA-N 1 0 341.415 2.733 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413154072 477544233 /nfs/dbraw/zinc/54/42/33/477544233.db2.gz MSTSCIBYSAZBIO-LLVKDONJSA-N 1 0 344.337 2.931 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413174474 477553867 /nfs/dbraw/zinc/55/38/67/477553867.db2.gz ILCJAOLZNHQSFR-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO Nc1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000367517858 477554369 /nfs/dbraw/zinc/55/43/69/477554369.db2.gz DQUAWZDWSMHYQQ-HNAYVOBHSA-N 1 0 338.411 2.888 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000449343752 477556878 /nfs/dbraw/zinc/55/68/78/477556878.db2.gz MUFFYKGOJOQTRP-OXXUSNJHSA-N 1 0 344.415 2.731 20 5 EFBDRO CCN1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449520974 477567008 /nfs/dbraw/zinc/56/70/08/477567008.db2.gz TUNGHZRARJPUGF-BMFZPTHFSA-N 1 0 331.416 2.516 20 5 EFBDRO CS[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000413204812 477568473 /nfs/dbraw/zinc/56/84/73/477568473.db2.gz JMSWARIGVRQNKP-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455325245 477588959 /nfs/dbraw/zinc/58/89/59/477588959.db2.gz FJUFVHVXPPEPSO-UHFFFAOYSA-N 1 0 336.367 2.872 20 5 EFBDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450334025 477589116 /nfs/dbraw/zinc/58/91/16/477589116.db2.gz RHMUKFGHMCGPCC-UKRRQHHQSA-N 1 0 333.436 2.784 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000450415503 477595149 /nfs/dbraw/zinc/59/51/49/477595149.db2.gz BLDTVTFNHQGJHO-VXGBXAGGSA-N 1 0 330.388 2.680 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372062035 477620957 /nfs/dbraw/zinc/62/09/57/477620957.db2.gz CRSBWXPBMDMBNM-KGLIPLIRSA-N 1 0 332.404 2.960 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413321739 477627505 /nfs/dbraw/zinc/62/75/05/477627505.db2.gz RJPMMVUYALSIMG-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO C[C@H]([NH3+])c1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000420199574 477634584 /nfs/dbraw/zinc/63/45/84/477634584.db2.gz DITQFXWXDLVSPR-NSHDSACASA-N 1 0 349.412 2.630 20 5 EFBDRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000455461234 477642572 /nfs/dbraw/zinc/64/25/72/477642572.db2.gz VKTFRAHAIVOQNB-DITUJHHDSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458887526 477642892 /nfs/dbraw/zinc/64/28/92/477642892.db2.gz JMSNUERJRDZIIB-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458886766 477643053 /nfs/dbraw/zinc/64/30/53/477643053.db2.gz IFOJVYLFCLYBLU-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)nc1OCc1ccccc1 ZINC000420237313 477645122 /nfs/dbraw/zinc/64/51/22/477645122.db2.gz LXUSGPMPKUIKCC-OAHLLOKOSA-N 1 0 342.399 2.545 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420263904 477652167 /nfs/dbraw/zinc/65/21/67/477652167.db2.gz TVOBMYWXIAKKBS-WDEREUQCSA-N 1 0 329.322 2.968 20 5 EFBDRO Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269227 477655807 /nfs/dbraw/zinc/65/58/07/477655807.db2.gz ZVSJNTAREAIBNU-BLLLJJGKSA-N 1 0 341.415 2.924 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000420272599 477656702 /nfs/dbraw/zinc/65/67/02/477656702.db2.gz IFARZUWTWLDSBU-GFCCVEGCSA-N 1 0 331.401 2.978 20 5 EFBDRO CCc1cc(N2CC[NH2+]C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420278083 477660257 /nfs/dbraw/zinc/66/02/57/477660257.db2.gz NTDVTGJLLQVOLQ-UHFFFAOYSA-N 1 0 341.415 2.802 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420283039 477661365 /nfs/dbraw/zinc/66/13/65/477661365.db2.gz XDEPCBGJFWPEIC-GHMZBOCLSA-N 1 0 344.337 2.835 20 5 EFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000367734351 477663140 /nfs/dbraw/zinc/66/31/40/477663140.db2.gz OFVYQOFHVWKTFK-CYBMUJFWSA-N 1 0 338.839 2.829 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420292093 477667790 /nfs/dbraw/zinc/66/77/90/477667790.db2.gz WJKQSNJVPXWWMM-TZMCWYRMSA-N 1 0 334.420 2.662 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000372161276 477670238 /nfs/dbraw/zinc/67/02/38/477670238.db2.gz VMCWTVNGNGOSOE-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000413430940 477676214 /nfs/dbraw/zinc/67/62/14/477676214.db2.gz ADTKOUAQVXAGAK-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000450802180 477722203 /nfs/dbraw/zinc/72/22/03/477722203.db2.gz YIMHPFLNACPYFK-JOYOIKCWSA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000450802179 477722223 /nfs/dbraw/zinc/72/22/23/477722223.db2.gz YIMHPFLNACPYFK-CABZTGNLSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450806664 477724012 /nfs/dbraw/zinc/72/40/12/477724012.db2.gz FIPBLELWSALRLR-AWEZNQCLSA-N 1 0 341.415 2.652 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370314 477728390 /nfs/dbraw/zinc/72/83/90/477728390.db2.gz OXKDFYXTUWUSPC-VFVRVIDISA-N 1 0 344.415 2.768 20 5 EFBDRO [NH3+]C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000420375101 477731578 /nfs/dbraw/zinc/73/15/78/477731578.db2.gz SOARQKREKPURCG-HNNXBMFYSA-N 1 0 345.403 2.642 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437642649 477733130 /nfs/dbraw/zinc/73/31/30/477733130.db2.gz SFCBASONEWNOPI-MSOLQXFVSA-N 1 0 346.431 2.702 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420379000 477735139 /nfs/dbraw/zinc/73/51/39/477735139.db2.gz ABPOKWYUVABMCA-JKSUJKDBSA-N 1 0 345.374 2.539 20 5 EFBDRO [NH3+][C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000420379589 477735652 /nfs/dbraw/zinc/73/56/52/477735652.db2.gz BFZJOZZMBHBLOY-ZWKOTPCHSA-N 1 0 329.375 2.703 20 5 EFBDRO Cc1cncn1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372301252 477745234 /nfs/dbraw/zinc/74/52/34/477745234.db2.gz MGVKGDJTAYWIHJ-QPJJXVBHSA-N 1 0 340.383 2.977 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C4CCC4)CC3)c21 ZINC000450883651 477749019 /nfs/dbraw/zinc/74/90/19/477749019.db2.gz XHMJRHDMLVVDBH-UHFFFAOYSA-N 1 0 327.388 2.967 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000367941523 477763318 /nfs/dbraw/zinc/76/33/18/477763318.db2.gz LKIUIPACGBQBSR-CHWSQXEVSA-N 1 0 349.387 2.671 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427214048 477767647 /nfs/dbraw/zinc/76/76/47/477767647.db2.gz ZWIZBIZRMDKZEL-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367956278 477770195 /nfs/dbraw/zinc/77/01/95/477770195.db2.gz MGRUYSNVZRHEHT-IAGOWNOFSA-N 1 0 334.416 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000437882192 477771201 /nfs/dbraw/zinc/77/12/01/477771201.db2.gz OTHWHHVURIZPJS-UHFFFAOYSA-N 1 0 343.383 2.912 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000437984752 477783814 /nfs/dbraw/zinc/78/38/14/477783814.db2.gz KCPWOWHGLLFHAD-UKRRQHHQSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427976290 477797877 /nfs/dbraw/zinc/79/78/77/477797877.db2.gz VZYFLCZNASJVHU-AWEZNQCLSA-N 1 0 347.415 2.580 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451100523 477823486 /nfs/dbraw/zinc/82/34/86/477823486.db2.gz VBGFQAKIJZUHBN-HNNXBMFYSA-N 1 0 341.411 2.994 20 5 EFBDRO CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000493806312 477834693 /nfs/dbraw/zinc/83/46/93/477834693.db2.gz WFDXCJCGSCNXEX-VFADXPBXSA-N 1 0 335.379 2.738 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493821849 477843590 /nfs/dbraw/zinc/84/35/90/477843590.db2.gz MGRIYTCNNIIXTK-SOFGYWHQSA-N 1 0 325.796 2.718 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418474 477865566 /nfs/dbraw/zinc/86/55/66/477865566.db2.gz HDCUNLKTKNOEDL-HUUCEWRRSA-N 1 0 348.447 2.632 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000460797450 477867572 /nfs/dbraw/zinc/86/75/72/477867572.db2.gz XNPUQZDQUBISBY-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515908081 477873037 /nfs/dbraw/zinc/87/30/37/477873037.db2.gz XIHNKOZROBHZIL-CJNGLKHVSA-N 1 0 348.374 2.867 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000461793220 477883756 /nfs/dbraw/zinc/88/37/56/477883756.db2.gz BOZZFIOEILTGFO-AWEZNQCLSA-N 1 0 348.447 2.783 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000516087998 477889060 /nfs/dbraw/zinc/88/90/60/477889060.db2.gz GJLJSWZYOHXGRT-KBPBESRZSA-N 1 0 334.420 2.840 20 5 EFBDRO O=C(CC[NH2+]CCOc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000558573371 477889359 /nfs/dbraw/zinc/88/93/59/477889359.db2.gz CUJZKXHEMOPQCW-UHFFFAOYSA-N 1 0 347.346 2.731 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000456372471 477894178 /nfs/dbraw/zinc/89/41/78/477894178.db2.gz HRQHJPSUQCVARD-AWEZNQCLSA-N 1 0 344.415 2.561 20 5 EFBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccsc1 ZINC000421009654 477895434 /nfs/dbraw/zinc/89/54/34/477895434.db2.gz NHXRRDFMIGZNHE-DOMZBBRYSA-N 1 0 338.433 2.685 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456377612 477899409 /nfs/dbraw/zinc/89/94/09/477899409.db2.gz LVLYXNALFXDYGN-ZDUSSCGKSA-N 1 0 339.823 2.733 20 5 EFBDRO Cn1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428462562 477902877 /nfs/dbraw/zinc/90/28/77/477902877.db2.gz LMTQPJUMUKMXMN-IAGOWNOFSA-N 1 0 344.415 2.731 20 5 EFBDRO COc1ccc(CNc2cc(C(C)C)[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000462391509 477902909 /nfs/dbraw/zinc/90/29/09/477902909.db2.gz XPQLUPSFGJDLBA-UHFFFAOYSA-N 1 0 345.403 2.617 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000438939133 477906794 /nfs/dbraw/zinc/90/67/94/477906794.db2.gz XJZUGNUVQHKDLE-PWSUYJOCSA-N 1 0 325.796 2.769 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000421028700 477917949 /nfs/dbraw/zinc/91/79/49/477917949.db2.gz HSMZZUGTFAISBN-SNVBAGLBSA-N 1 0 330.331 2.547 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](CCO)CC3)n2)c1 ZINC000421041954 477928834 /nfs/dbraw/zinc/92/88/34/477928834.db2.gz OYUFPUPLWVNTQX-ZDUSSCGKSA-N 1 0 346.387 2.629 20 5 EFBDRO NC(=O)c1cccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000439134069 477934068 /nfs/dbraw/zinc/93/40/68/477934068.db2.gz NCEYXYIUSHQTSL-AWEZNQCLSA-N 1 0 344.371 2.536 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000439142740 477936132 /nfs/dbraw/zinc/93/61/32/477936132.db2.gz WOAMDUDYEYTLPL-ZDUSSCGKSA-N 1 0 329.404 2.946 20 5 EFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000494242276 477951061 /nfs/dbraw/zinc/95/10/61/477951061.db2.gz RETNYDGTZBKQMA-YVEFUNNKSA-N 1 0 331.372 2.949 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459524166 477952859 /nfs/dbraw/zinc/95/28/59/477952859.db2.gz HPEJWGCTQWWCKA-INIZCTEOSA-N 1 0 344.415 2.712 20 5 EFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464809751 477962854 /nfs/dbraw/zinc/96/28/54/477962854.db2.gz CFYPQWJLERLJTD-YJBOKZPZSA-N 1 0 349.431 2.977 20 5 EFBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464824274 477963133 /nfs/dbraw/zinc/96/31/33/477963133.db2.gz UOGHIUOEDGGKCA-MAUKXSAKSA-N 1 0 349.431 2.977 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456542505 477974532 /nfs/dbraw/zinc/97/45/32/477974532.db2.gz DRRHXENHUAEDME-HNNXBMFYSA-N 1 0 348.447 2.730 20 5 EFBDRO CON1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000459573684 477983780 /nfs/dbraw/zinc/98/37/80/477983780.db2.gz CUJDHABOSLKAGQ-UHFFFAOYSA-N 1 0 337.420 2.840 20 5 EFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000428793534 477984468 /nfs/dbraw/zinc/98/44/68/477984468.db2.gz ZDBFNJXSJFVWPO-IBGZPJMESA-N 1 0 340.379 2.912 20 5 EFBDRO CC(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000459588358 477994167 /nfs/dbraw/zinc/99/41/67/477994167.db2.gz GNQIBUKHFLMNBZ-UHFFFAOYSA-N 1 0 332.404 2.865 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494500127 477999556 /nfs/dbraw/zinc/99/95/56/477999556.db2.gz CDOBUSFKAGTGHW-GXTWGEPZSA-N 1 0 336.779 2.602 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451415776 478001519 /nfs/dbraw/zinc/00/15/19/478001519.db2.gz JUCMIFVLHFOJMY-NWANDNLSSA-N 1 0 331.372 2.861 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451414589 478003040 /nfs/dbraw/zinc/00/30/40/478003040.db2.gz IJGYAAOCBMPIDY-ZACQAIPSSA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000494543262 478006501 /nfs/dbraw/zinc/00/65/01/478006501.db2.gz AUMRIONKHJMOBE-UKRRQHHQSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439615278 478007452 /nfs/dbraw/zinc/00/74/52/478007452.db2.gz FOZQPVVRHAIWIT-DANNLKNASA-N 1 0 347.415 2.715 20 5 EFBDRO CCCc1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000428957590 478014682 /nfs/dbraw/zinc/01/46/82/478014682.db2.gz ROHVNZVLSFEWBH-UHFFFAOYSA-N 1 0 333.392 2.877 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000459629723 478016315 /nfs/dbraw/zinc/01/63/15/478016315.db2.gz HOSOGFBRHBJAJJ-XPKDYRNWSA-N 1 0 335.404 2.858 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451480016 478040310 /nfs/dbraw/zinc/04/03/10/478040310.db2.gz NZFXERLCAIUDPG-UHOFOFEASA-N 1 0 347.415 2.859 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000487517536 478040872 /nfs/dbraw/zinc/04/08/72/478040872.db2.gz OOEHUBYMGFLYJZ-CJNGLKHVSA-N 1 0 342.399 2.563 20 5 EFBDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429027681 478042540 /nfs/dbraw/zinc/04/25/40/478042540.db2.gz KUWOTZWVMGLPLI-OFQRWUPVSA-N 1 0 333.432 2.766 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451483478 478043804 /nfs/dbraw/zinc/04/38/04/478043804.db2.gz FGXDDPWQKZVRAU-YOEHRIQHSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451485836 478044244 /nfs/dbraw/zinc/04/42/44/478044244.db2.gz CYTWXSRKNBSCQI-LSDHHAIUSA-N 1 0 335.404 2.635 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429033322 478044883 /nfs/dbraw/zinc/04/48/83/478044883.db2.gz ZVHJHDWTNUBTRR-HLLBOEOZSA-N 1 0 333.432 2.636 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451491821 478048361 /nfs/dbraw/zinc/04/83/61/478048361.db2.gz CIEFOKRIYGYVKG-AFAVFJNCSA-N 1 0 349.431 2.881 20 5 EFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C2 ZINC000459712983 478052816 /nfs/dbraw/zinc/05/28/16/478052816.db2.gz WVPNJXHZKMDMQK-CYBMUJFWSA-N 1 0 344.367 2.575 20 5 EFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000459726591 478062184 /nfs/dbraw/zinc/06/21/84/478062184.db2.gz XYPOGYUARDLAQH-AWEZNQCLSA-N 1 0 338.404 2.873 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000494801906 478067051 /nfs/dbraw/zinc/06/70/51/478067051.db2.gz WRNJEYCIIWHQAG-INIZCTEOSA-N 1 0 343.383 2.636 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740649 478070143 /nfs/dbraw/zinc/07/01/43/478070143.db2.gz BLPYPLDUZRZIFH-KBPBESRZSA-N 1 0 344.371 2.692 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459746477 478070778 /nfs/dbraw/zinc/07/07/78/478070778.db2.gz FNICZWUXRBPHLB-HOTGVXAUSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451539198 478073871 /nfs/dbraw/zinc/07/38/71/478073871.db2.gz FGMBNTBKSWUKFV-BXUZGUMPSA-N 1 0 332.360 2.502 20 5 EFBDRO CON1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421398683 478074153 /nfs/dbraw/zinc/07/41/53/478074153.db2.gz OLFGFNIEYFTVHO-PBHICJAKSA-N 1 0 333.432 2.921 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000421403771 478076636 /nfs/dbraw/zinc/07/66/36/478076636.db2.gz XSEUIQGBNKTKNT-CYBMUJFWSA-N 1 0 338.404 2.597 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000459758558 478076788 /nfs/dbraw/zinc/07/67/88/478076788.db2.gz SIKQVBXYGBSOSP-XQDHMALISA-N 1 0 342.395 2.982 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000459758549 478077031 /nfs/dbraw/zinc/07/70/31/478077031.db2.gz SIKQVBXYGBSOSP-AATOQMJSSA-N 1 0 342.395 2.982 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000487840650 478078066 /nfs/dbraw/zinc/07/80/66/478078066.db2.gz OLLUBKMFDPLWNA-ZIAGYGMSSA-N 1 0 346.431 2.756 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000451545208 478079929 /nfs/dbraw/zinc/07/99/29/478079929.db2.gz HCOUEMSYLGUXJD-QRQLOZEOSA-N 1 0 345.443 2.637 20 5 EFBDRO Cc1c(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000459767783 478080899 /nfs/dbraw/zinc/08/08/99/478080899.db2.gz FILDEKIFDRKGOG-UHFFFAOYSA-N 1 0 343.427 2.673 20 5 EFBDRO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547684 478081984 /nfs/dbraw/zinc/08/19/84/478081984.db2.gz LQFPFILSKFEQCZ-ZBFHGGJFSA-N 1 0 333.432 2.935 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451547442 478082969 /nfs/dbraw/zinc/08/29/69/478082969.db2.gz TYVIWKOXTNXYBI-CJNGLKHVSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459777441 478087435 /nfs/dbraw/zinc/08/74/35/478087435.db2.gz VWTQVCNEXVPCTO-DAXOMENPSA-N 1 0 347.415 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C/c3ccncc3)C2)nc1 ZINC000494938778 478088532 /nfs/dbraw/zinc/08/85/32/478088532.db2.gz PCILWEWSLFXMSK-BGTMTDRBSA-N 1 0 325.372 2.584 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000451559065 478093194 /nfs/dbraw/zinc/09/31/94/478093194.db2.gz FOANJZOQZREQGB-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487963671 478094725 /nfs/dbraw/zinc/09/47/25/478094725.db2.gz RNLXWGAWIQUKAT-HIFRSBDPSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451573504 478103658 /nfs/dbraw/zinc/10/36/58/478103658.db2.gz REKMKNFHWYRJBX-XJKSGUPXSA-N 1 0 335.404 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000429297901 478105866 /nfs/dbraw/zinc/10/58/66/478105866.db2.gz CNEMANYZDUOLJQ-CQSZACIVSA-N 1 0 328.368 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3Cc4cccc(O)c4C3)nc2c1 ZINC000429313904 478110078 /nfs/dbraw/zinc/11/00/78/478110078.db2.gz DPDMAJDEKFDQSJ-NSHDSACASA-N 1 0 325.324 2.699 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488073962 478114580 /nfs/dbraw/zinc/11/45/80/478114580.db2.gz MPMIISQCPQSQQU-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000429351849 478118833 /nfs/dbraw/zinc/11/88/33/478118833.db2.gz GIIJXQCSEFFBNN-ZDUSSCGKSA-N 1 0 343.431 2.777 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518334068 478159259 /nfs/dbraw/zinc/15/92/59/478159259.db2.gz XREFTOJBZPSFJP-QGZVFWFLSA-N 1 0 343.383 2.555 20 5 EFBDRO CO[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1OC ZINC000488571853 478163434 /nfs/dbraw/zinc/16/34/34/478163434.db2.gz HBIFPEAFQQARGC-IRXDYDNUSA-N 1 0 332.356 2.700 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429766701 478188229 /nfs/dbraw/zinc/18/82/29/478188229.db2.gz MWBOUYFCVGZBNP-DZGCQCFKSA-N 1 0 349.431 2.715 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451779521 478201517 /nfs/dbraw/zinc/20/15/17/478201517.db2.gz FHWRIFZBBNBDFJ-YGRLFVJLSA-N 1 0 328.315 2.694 20 5 EFBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519142018 478211698 /nfs/dbraw/zinc/21/16/98/478211698.db2.gz VLAQXEIQZKODTJ-IVMMDQJWSA-N 1 0 340.445 2.598 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000535470516 478212812 /nfs/dbraw/zinc/21/28/12/478212812.db2.gz SZNZOPPGHVFGFO-CXAGYDPISA-N 1 0 336.388 2.685 20 5 EFBDRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000489151194 478220599 /nfs/dbraw/zinc/22/05/99/478220599.db2.gz PIGVYLLSPVOVEV-CQSZACIVSA-N 1 0 336.436 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)cn1 ZINC000535785709 478231244 /nfs/dbraw/zinc/23/12/44/478231244.db2.gz BOOTXQAUDMGIJU-AEFFLSMTSA-N 1 0 338.411 2.916 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489352280 478236207 /nfs/dbraw/zinc/23/62/07/478236207.db2.gz PEFQFMCBIMSKFU-MLGOLLRUSA-N 1 0 337.395 2.636 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCc2ccccc21 ZINC000536376749 478249384 /nfs/dbraw/zinc/24/93/84/478249384.db2.gz CWNBEMQCYDNWLP-KRWDZBQOSA-N 1 0 327.384 2.766 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000489540611 478255561 /nfs/dbraw/zinc/25/55/61/478255561.db2.gz IUUKYEJTRSRTQU-OCCSQVGLSA-N 1 0 332.404 2.500 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000590646798 478275668 /nfs/dbraw/zinc/27/56/68/478275668.db2.gz TYJFTGQUXDSZNF-KLPPZKSPSA-N 1 0 330.331 2.837 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000570081962 478278722 /nfs/dbraw/zinc/27/87/22/478278722.db2.gz ABRDDUMMBJVVRS-BBWFWOEESA-N 1 0 342.395 2.728 20 5 EFBDRO Cc1cccnc1CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658762 478279763 /nfs/dbraw/zinc/27/97/63/478279763.db2.gz BTQXKHMRPGOJFX-UHFFFAOYSA-N 1 0 343.383 2.792 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590665813 478280953 /nfs/dbraw/zinc/28/09/53/478280953.db2.gz PHLWLZXDLJXRRG-HNNXBMFYSA-N 1 0 347.415 2.547 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000537093193 478286066 /nfs/dbraw/zinc/28/60/66/478286066.db2.gz ATMYHTVRQUHQOW-HEHGZKQESA-N 1 0 335.404 2.717 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000594231198 478289098 /nfs/dbraw/zinc/28/90/98/478289098.db2.gz OISVTNCOSJVQGJ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000600214531 478290686 /nfs/dbraw/zinc/29/06/86/478290686.db2.gz AEUOUBGLURUMMP-UHFFFAOYSA-N 1 0 326.393 2.595 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000579448379 478299009 /nfs/dbraw/zinc/29/90/09/478299009.db2.gz WCDVPOOTMHCJOW-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO COC(C)(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520472032 478314885 /nfs/dbraw/zinc/31/48/85/478314885.db2.gz AKVTYSXLRLQMKD-SNVBAGLBSA-N 1 0 343.811 2.932 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000490290500 478326816 /nfs/dbraw/zinc/32/68/16/478326816.db2.gz RMHOQKRIIBYGSL-OAHLLOKOSA-N 1 0 333.432 2.932 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600310973 478332658 /nfs/dbraw/zinc/33/26/58/478332658.db2.gz MHKRFVVUUIIEEE-LBPRGKRZSA-N 1 0 331.372 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000600311002 478332839 /nfs/dbraw/zinc/33/28/39/478332839.db2.gz NDEIEOKREVMUMA-HNNXBMFYSA-N 1 0 349.431 2.520 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000600311003 478333763 /nfs/dbraw/zinc/33/37/63/478333763.db2.gz NDEIEOKREVMUMA-OAHLLOKOSA-N 1 0 349.431 2.520 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000600312429 478334233 /nfs/dbraw/zinc/33/42/33/478334233.db2.gz SAXSQECXYJOJQT-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600313181 478334696 /nfs/dbraw/zinc/33/46/96/478334696.db2.gz IJYZVKUXGHSSAG-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000600315857 478336223 /nfs/dbraw/zinc/33/62/23/478336223.db2.gz WBJVEZNEXKICNC-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CSc1cccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600314848 478336483 /nfs/dbraw/zinc/33/64/83/478336483.db2.gz PYUQBRXYQWXOAJ-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000570337453 478338820 /nfs/dbraw/zinc/33/88/20/478338820.db2.gz XQKGLJGSPWWWNA-UHFFFAOYSA-N 1 0 341.396 2.926 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597441703 478353481 /nfs/dbraw/zinc/35/34/81/478353481.db2.gz TVODTCZEWZFSFK-MRXNPFEDSA-N 1 0 346.431 2.657 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000594389913 478356988 /nfs/dbraw/zinc/35/69/88/478356988.db2.gz PYRCDGDKTWLTAP-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000538413140 478358881 /nfs/dbraw/zinc/35/88/81/478358881.db2.gz XAEOTXROMMWSGH-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1cc(NCCN2CCO[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000538447667 478359306 /nfs/dbraw/zinc/35/93/06/478359306.db2.gz DHRCJUZRSRBMBP-CYBMUJFWSA-N 1 0 330.388 2.584 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000570445038 478361108 /nfs/dbraw/zinc/36/11/08/478361108.db2.gz UNASDASYVMAJDV-XHSDSOJGSA-N 1 0 334.416 2.750 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594418183 478374535 /nfs/dbraw/zinc/37/45/35/478374535.db2.gz GYTGNPZFPRRPMX-KBPBESRZSA-N 1 0 337.807 2.995 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000562965278 478396139 /nfs/dbraw/zinc/39/61/39/478396139.db2.gz DYMYMQMDSBDWDU-HNNXBMFYSA-N 1 0 342.399 2.629 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570651570 478408634 /nfs/dbraw/zinc/40/86/34/478408634.db2.gz SCHCADPPWWLWAT-MRXNPFEDSA-N 1 0 325.368 2.732 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1C ZINC000570655444 478410832 /nfs/dbraw/zinc/41/08/32/478410832.db2.gz FWFKOGDJVIHXOR-OAHLLOKOSA-N 1 0 347.415 2.659 20 5 EFBDRO O=C(CC[NH2+]CCC[C@@H]1CCCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000581662920 478412900 /nfs/dbraw/zinc/41/29/00/478412900.db2.gz FMDFEBCDENIKRE-AWEZNQCLSA-N 1 0 335.404 2.862 20 5 EFBDRO CCc1noc(C)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662759 478413614 /nfs/dbraw/zinc/41/36/14/478413614.db2.gz WALPJUREXFFLDO-UHFFFAOYSA-N 1 0 332.360 2.572 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594501214 478413602 /nfs/dbraw/zinc/41/36/02/478413602.db2.gz WXUFAEXONFAQKT-LJQANCHMSA-N 1 0 347.459 2.760 20 5 EFBDRO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000594499781 478414891 /nfs/dbraw/zinc/41/48/91/478414891.db2.gz JORUDCCQQSCGRU-RHSMWYFYSA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000594505939 478415242 /nfs/dbraw/zinc/41/52/42/478415242.db2.gz FZLAAMXIQVVKTJ-PBHICJAKSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000594505940 478416098 /nfs/dbraw/zinc/41/60/98/478416098.db2.gz FZLAAMXIQVVKTJ-RHSMWYFYSA-N 1 0 330.359 2.914 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594512213 478418787 /nfs/dbraw/zinc/41/87/87/478418787.db2.gz VAQWXLREGYUMBS-HNNXBMFYSA-N 1 0 341.367 2.647 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594524855 478426051 /nfs/dbraw/zinc/42/60/51/478426051.db2.gz MCWHJAIWOFKHIK-GJZGRUSLSA-N 1 0 336.367 2.872 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594554381 478434828 /nfs/dbraw/zinc/43/48/28/478434828.db2.gz CTNWQELHOPGMGO-AWEZNQCLSA-N 1 0 336.436 2.945 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594554160 478435491 /nfs/dbraw/zinc/43/54/91/478435491.db2.gz OPIXAJONSAGRPU-IAOVAPTHSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594554161 478435516 /nfs/dbraw/zinc/43/55/16/478435516.db2.gz OPIXAJONSAGRPU-JQFCIGGWSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594554156 478435555 /nfs/dbraw/zinc/43/55/55/478435555.db2.gz OFIGWQQKDJUMSN-RRQGHBQHSA-N 1 0 346.431 2.528 20 5 EFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000581806599 478441680 /nfs/dbraw/zinc/44/16/80/478441680.db2.gz RENXURCKLNJIJE-SFHVURJKSA-N 1 0 339.395 2.944 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000539969180 478452786 /nfs/dbraw/zinc/45/27/86/478452786.db2.gz IGZOIQDXGVPFAU-MGPQQGTHSA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594596500 478454945 /nfs/dbraw/zinc/45/49/45/478454945.db2.gz AENMOKOXXLPUBA-DLBZAZTESA-N 1 0 326.400 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594596501 478455077 /nfs/dbraw/zinc/45/50/77/478455077.db2.gz AENMOKOXXLPUBA-IAGOWNOFSA-N 1 0 326.400 2.994 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000581882196 478457505 /nfs/dbraw/zinc/45/75/05/478457505.db2.gz IOAVCTNMZUBNRK-WMLDXEAASA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000570826315 478457648 /nfs/dbraw/zinc/45/76/48/478457648.db2.gz ABRJXPOPBIVTRW-RPVQJOFSSA-N 1 0 346.427 2.739 20 5 EFBDRO O=c1[nH]cnc2cc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c([N+](=O)[O-])cc21 ZINC000594603275 478461869 /nfs/dbraw/zinc/46/18/69/478461869.db2.gz SUCRYNNMQAZHEJ-WFASDCNBSA-N 1 0 343.387 2.672 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603774 478462284 /nfs/dbraw/zinc/46/22/84/478462284.db2.gz VTRMBSLUVKXXTK-KBPBESRZSA-N 1 0 348.403 2.514 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594604040 478462801 /nfs/dbraw/zinc/46/28/01/478462801.db2.gz XCTKGUUZLAYVDH-KBPBESRZSA-N 1 0 348.403 2.595 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597699247 478469520 /nfs/dbraw/zinc/46/95/20/478469520.db2.gz IYOTZKLOGNGDLK-UNEWFSDZSA-N 1 0 333.432 2.715 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597700610 478470643 /nfs/dbraw/zinc/47/06/43/478470643.db2.gz OOHSQBOUGVGHHG-TVQRCGJNSA-N 1 0 345.321 2.778 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597714268 478476027 /nfs/dbraw/zinc/47/60/27/478476027.db2.gz HPECERTXUIMYJX-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000597713601 478476402 /nfs/dbraw/zinc/47/64/02/478476402.db2.gz DJKNWMZMFSBXJS-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000597717081 478478225 /nfs/dbraw/zinc/47/82/25/478478225.db2.gz YFFOYCLVFRCCMN-QGZVFWFLSA-N 1 0 349.456 2.631 20 5 EFBDRO C[N@H+](Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000594650996 478478915 /nfs/dbraw/zinc/47/89/15/478478915.db2.gz KGYBKQGRPKBKDO-UHFFFAOYSA-N 1 0 329.404 2.999 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712239 478479672 /nfs/dbraw/zinc/47/96/72/478479672.db2.gz VEYNSEQQGHBNPB-STQMWFEESA-N 1 0 347.440 2.962 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496017676 478482129 /nfs/dbraw/zinc/48/21/29/478482129.db2.gz YLBFPKCUPPPQBN-IHWMJMDHSA-N 1 0 345.399 2.772 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000540609587 478485551 /nfs/dbraw/zinc/48/55/51/478485551.db2.gz STZMVAQUHHQKCW-YLGOIMDESA-N 1 0 349.431 2.961 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000540673634 478487333 /nfs/dbraw/zinc/48/73/33/478487333.db2.gz VFLANQVOFMUUCH-IBGZPJMESA-N 1 0 342.395 2.917 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000600725359 478488559 /nfs/dbraw/zinc/48/85/59/478488559.db2.gz JDGPGDQHZMDGCR-ZYHUDNBSSA-N 1 0 335.301 2.693 20 5 EFBDRO [NH3+]C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600728556 478489856 /nfs/dbraw/zinc/48/98/56/478489856.db2.gz UTQWNEIBLTVUCX-GXTWGEPZSA-N 1 0 331.338 2.596 20 5 EFBDRO [NH3+]C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600728557 478491295 /nfs/dbraw/zinc/49/12/95/478491295.db2.gz UTQWNEIBLTVUCX-JSGCOSHPSA-N 1 0 331.338 2.596 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1=O ZINC000591243851 478498187 /nfs/dbraw/zinc/49/81/87/478498187.db2.gz CMVKZWPYGINVCY-STQMWFEESA-N 1 0 337.445 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@H]4CCC[NH2+]C4)CC3)c21 ZINC000594693654 478499906 /nfs/dbraw/zinc/49/99/06/478499906.db2.gz RDVANJCLWNVGRQ-AWEZNQCLSA-N 1 0 341.415 2.754 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000563271173 478501359 /nfs/dbraw/zinc/50/13/59/478501359.db2.gz KGBHUDVKEUDUIZ-LPYTZGJOSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591270357 478503396 /nfs/dbraw/zinc/50/33/96/478503396.db2.gz ZZZLUALWJGOFCG-KBPBESRZSA-N 1 0 332.404 2.838 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCC[NH2+]3)cs2)c1 ZINC000591275559 478504964 /nfs/dbraw/zinc/50/49/64/478504964.db2.gz CDMCQJATVLPVJE-CYBMUJFWSA-N 1 0 332.429 2.950 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000594716272 478510912 /nfs/dbraw/zinc/51/09/12/478510912.db2.gz NVWAROSLYYGUCV-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591297653 478513063 /nfs/dbraw/zinc/51/30/63/478513063.db2.gz WPQQFIXHCHVUGD-UHFFFAOYSA-N 1 0 334.298 2.735 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591299006 478514304 /nfs/dbraw/zinc/51/43/04/478514304.db2.gz WKFLWKQAWYSPDS-UONOGXRCSA-N 1 0 332.404 2.838 20 5 EFBDRO COC(=O)c1cc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)cc([N+](=O)[O-])c1 ZINC000600790116 478522627 /nfs/dbraw/zinc/52/26/27/478522627.db2.gz ZDRPVNPUCSMZRW-KRWDZBQOSA-N 1 0 342.351 2.709 20 5 EFBDRO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591344226 478530870 /nfs/dbraw/zinc/53/08/70/478530870.db2.gz YWCPAEMBYFEGBQ-CQSZACIVSA-N 1 0 346.431 2.831 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591347967 478532166 /nfs/dbraw/zinc/53/21/66/478532166.db2.gz MHJUNLZWEAOTEQ-HOTGVXAUSA-N 1 0 346.431 2.516 20 5 EFBDRO CC[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000591352788 478533612 /nfs/dbraw/zinc/53/36/12/478533612.db2.gz SDWKRMJZEFCXRZ-RDJZCZTQSA-N 1 0 348.447 2.686 20 5 EFBDRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591354611 478534277 /nfs/dbraw/zinc/53/42/77/478534277.db2.gz CQWPMKRBRFVNDK-GUTXKFCHSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597859436 478547122 /nfs/dbraw/zinc/54/71/22/478547122.db2.gz DHJPVHQRGWKZJE-AWEZNQCLSA-N 1 0 349.431 2.519 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491437743 478547339 /nfs/dbraw/zinc/54/73/39/478547339.db2.gz VKKRWSISEOOTLA-JEZWAEDTSA-N 1 0 329.400 2.695 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861286 478548599 /nfs/dbraw/zinc/54/85/99/478548599.db2.gz SFTMHPAHDWIYCI-LBPRGKRZSA-N 1 0 337.395 2.513 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000591437776 478550773 /nfs/dbraw/zinc/55/07/73/478550773.db2.gz KTVCSRWRHZJQGA-ZYHUDNBSSA-N 1 0 340.221 2.854 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000591438604 478552495 /nfs/dbraw/zinc/55/24/95/478552495.db2.gz NUUMQOKONNRRDK-IUODEOHRSA-N 1 0 342.374 2.984 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000591533927 478575577 /nfs/dbraw/zinc/57/55/77/478575577.db2.gz KEVCLRANJLMQJF-LBPRGKRZSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000591533950 478576295 /nfs/dbraw/zinc/57/62/95/478576295.db2.gz ZSPWHTRXPAUDIQ-GOSISDBHSA-N 1 0 331.416 2.770 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597923707 478577489 /nfs/dbraw/zinc/57/74/89/478577489.db2.gz OPTAHCDTRXRGKT-CYBMUJFWSA-N 1 0 333.432 2.861 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000582373624 478583265 /nfs/dbraw/zinc/58/32/65/478583265.db2.gz AWHSFASCFHJTBI-USXIJHARSA-N 1 0 334.416 2.845 20 5 EFBDRO Cc1c(Br)c(N2CCCCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000600959440 478586065 /nfs/dbraw/zinc/58/60/65/478586065.db2.gz WWHKYCYDXQGZDU-JTQLQIEISA-N 1 0 343.225 2.768 20 5 EFBDRO COc1ccc2c(c1)OC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000571394413 478587007 /nfs/dbraw/zinc/58/70/07/478587007.db2.gz ROCRYZZABRBSIO-CQSZACIVSA-N 1 0 344.367 2.576 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491559889 478587710 /nfs/dbraw/zinc/58/77/10/478587710.db2.gz CAQSPLSOSKSSJB-GMNBZTITSA-N 1 0 347.390 2.834 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491564990 478591094 /nfs/dbraw/zinc/59/10/94/478591094.db2.gz ZWAMFCKSSSLEGN-OZSKJFCKSA-N 1 0 329.400 2.695 20 5 EFBDRO COc1cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000594956584 478604809 /nfs/dbraw/zinc/60/48/09/478604809.db2.gz LPJHAHRINBLINZ-CYBMUJFWSA-N 1 0 337.420 2.574 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000591672958 478605480 /nfs/dbraw/zinc/60/54/80/478605480.db2.gz ZYCWAEROMJJAIW-QGZVFWFLSA-N 1 0 343.383 2.570 20 5 EFBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591681037 478605569 /nfs/dbraw/zinc/60/55/69/478605569.db2.gz MZYFVKQLPWJPNU-HNNXBMFYSA-N 1 0 343.383 2.650 20 5 EFBDRO COc1cc(C[NH2+]CCC2(CSC)CC2)c([N+](=O)[O-])cc1O ZINC000594962216 478605754 /nfs/dbraw/zinc/60/57/54/478605754.db2.gz CVQWAMOWXHQAAS-UHFFFAOYSA-N 1 0 326.418 2.932 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594960643 478605988 /nfs/dbraw/zinc/60/59/88/478605988.db2.gz JPRVOYYUACJTFA-CYULLINESA-N 1 0 340.445 2.773 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594960645 478606176 /nfs/dbraw/zinc/60/61/76/478606176.db2.gz JPRVOYYUACJTFA-PUYAPDRXSA-N 1 0 340.445 2.773 20 5 EFBDRO C[C@H](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597993924 478609982 /nfs/dbraw/zinc/60/99/82/478609982.db2.gz WEPWOFSTGGYCFG-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000571516014 478614460 /nfs/dbraw/zinc/61/44/60/478614460.db2.gz GVHUGURDMKAXIP-ZBFHGGJFSA-N 1 0 346.358 2.751 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000582506365 478615196 /nfs/dbraw/zinc/61/51/96/478615196.db2.gz BOQKZGGCVWQSNB-CVEARBPZSA-N 1 0 333.432 2.716 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000591734562 478616078 /nfs/dbraw/zinc/61/60/78/478616078.db2.gz PDNHRSFMZGVAKU-CABCVRRESA-N 1 0 345.399 2.861 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744294 478618428 /nfs/dbraw/zinc/61/84/28/478618428.db2.gz PEKQPWDWWJYOGS-KFKAGJAMSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000591744320 478618907 /nfs/dbraw/zinc/61/89/07/478618907.db2.gz SFHOBCIEGYIJRE-OAGGEKHMSA-N 1 0 334.416 2.893 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594994874 478621714 /nfs/dbraw/zinc/62/17/14/478621714.db2.gz WXNWKNXHHRLHDO-FERCGXDMSA-N 1 0 345.443 2.841 20 5 EFBDRO CNC(=O)CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000594994661 478621736 /nfs/dbraw/zinc/62/17/36/478621736.db2.gz DMXQXKDTTHAYMS-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000595001442 478623502 /nfs/dbraw/zinc/62/35/02/478623502.db2.gz UNXAPDLKLNTVCJ-SJCJKPOMSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](OC)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000594998696 478624100 /nfs/dbraw/zinc/62/41/00/478624100.db2.gz ZFGKIRGVZZRJAP-QGZVFWFLSA-N 1 0 338.404 2.994 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000595006030 478627361 /nfs/dbraw/zinc/62/73/61/478627361.db2.gz DZUBARBHQYUEHI-SMDDNHRTSA-N 1 0 342.399 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000595008661 478628003 /nfs/dbraw/zinc/62/80/03/478628003.db2.gz POUKSMWUCTXGEV-HIFRSBDPSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000595008659 478628176 /nfs/dbraw/zinc/62/81/76/478628176.db2.gz POUKSMWUCTXGEV-DZGCQCFKSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000595012484 478629749 /nfs/dbraw/zinc/62/97/49/478629749.db2.gz ORTOZAVVQAOZGS-ZDUSSCGKSA-N 1 0 335.404 2.657 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026821 478633500 /nfs/dbraw/zinc/63/35/00/478633500.db2.gz MMWBQNNAZQOOLU-NWDGAFQWSA-N 1 0 335.404 2.653 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000595040091 478636979 /nfs/dbraw/zinc/63/69/79/478636979.db2.gz GTKXCYOMQQUXNH-LBPRGKRZSA-N 1 0 335.404 2.560 20 5 EFBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595040703 478638623 /nfs/dbraw/zinc/63/86/23/478638623.db2.gz ZPIJBHFMFAJNSI-CYBMUJFWSA-N 1 0 338.404 2.697 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000601069475 478639429 /nfs/dbraw/zinc/63/94/29/478639429.db2.gz MAWCFLLROYMSOF-SFHVURJKSA-N 1 0 328.368 2.611 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000571633629 478641358 /nfs/dbraw/zinc/64/13/58/478641358.db2.gz RAMFQWFLIUNVDZ-LLVKDONJSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595057302 478644328 /nfs/dbraw/zinc/64/43/28/478644328.db2.gz WRDJMZKLDZLQBZ-DZGCQCFKSA-N 1 0 348.447 2.774 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595059724 478645506 /nfs/dbraw/zinc/64/55/06/478645506.db2.gz JRRJQLBKEALCGM-NCUIZXKGSA-N 1 0 340.445 2.944 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000595100776 478660723 /nfs/dbraw/zinc/66/07/23/478660723.db2.gz IVBVZXAGPWNIAV-DOMZBBRYSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595100803 478660968 /nfs/dbraw/zinc/66/09/68/478660968.db2.gz JAOFEKWVYUNTRG-CJNGLKHVSA-N 1 0 349.431 2.507 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000595106583 478662802 /nfs/dbraw/zinc/66/28/02/478662802.db2.gz VOXMCGRVZYFKQW-PBHICJAKSA-N 1 0 333.432 2.807 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601144179 478684233 /nfs/dbraw/zinc/68/42/33/478684233.db2.gz FYTKTCOBJQMFOE-LQPUYASZSA-N 1 0 341.293 2.593 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591899041 478684474 /nfs/dbraw/zinc/68/44/74/478684474.db2.gz IRTYMVWMNDKFLF-LSDHHAIUSA-N 1 0 347.415 2.739 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595219864 478691984 /nfs/dbraw/zinc/69/19/84/478691984.db2.gz AEXJLTRXQRAOPP-MRXNPFEDSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595229959 478694970 /nfs/dbraw/zinc/69/49/70/478694970.db2.gz JGAXWQVPZRTJQC-AWEZNQCLSA-N 1 0 332.404 2.838 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1[N+](=O)[O-] ZINC000595257949 478703703 /nfs/dbraw/zinc/70/37/03/478703703.db2.gz DLVPCPORLSRUBJ-TZMCWYRMSA-N 1 0 335.404 2.583 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258183 478703851 /nfs/dbraw/zinc/70/38/51/478703851.db2.gz RTAZGIZNHYQVSD-QGZVFWFLSA-N 1 0 341.367 2.816 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595268341 478707126 /nfs/dbraw/zinc/70/71/26/478707126.db2.gz GVBXGARJOAWABD-IAGOWNOFSA-N 1 0 343.358 2.609 20 5 EFBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000601182751 478711006 /nfs/dbraw/zinc/71/10/06/478711006.db2.gz WGARADOIIGIHFA-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCOC(=O)Cc1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000591933581 478712954 /nfs/dbraw/zinc/71/29/54/478712954.db2.gz CZBGNJGWFRRGFL-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595297658 478721974 /nfs/dbraw/zinc/72/19/74/478721974.db2.gz INUHCKWRTIERHS-CQSZACIVSA-N 1 0 337.395 2.862 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598261900 478731122 /nfs/dbraw/zinc/73/11/22/478731122.db2.gz IAUCVXNMRQRXJJ-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000601241031 478743372 /nfs/dbraw/zinc/74/33/72/478743372.db2.gz VIYJSURHTZHPES-AWEZNQCLSA-N 1 0 328.372 2.690 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCOc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000583019883 478743913 /nfs/dbraw/zinc/74/39/13/478743913.db2.gz QBNHLNLGWUMYEO-UHFFFAOYSA-N 1 0 330.340 2.535 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@@H](C)O ZINC000572075615 478744882 /nfs/dbraw/zinc/74/48/82/478744882.db2.gz LYSLNIKHRMZIET-CQSZACIVSA-N 1 0 330.384 2.986 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491939039 478746802 /nfs/dbraw/zinc/74/68/02/478746802.db2.gz MPYVHWYQNYBESR-KVPUOBJLSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491937839 478747271 /nfs/dbraw/zinc/74/72/71/478747271.db2.gz JMNXZDLTOFNWHY-HWYHOQROSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491938519 478747291 /nfs/dbraw/zinc/74/72/91/478747291.db2.gz LFGFNGPPXHLCPB-DODUIYEKSA-N 1 0 347.390 2.832 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601268615 478755072 /nfs/dbraw/zinc/75/50/72/478755072.db2.gz SASVHPDQGPQZRD-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO Cc1noc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595403438 478762818 /nfs/dbraw/zinc/76/28/18/478762818.db2.gz FICDEHCIIIZRBC-UONOGXRCSA-N 1 0 344.415 2.986 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000601291038 478768351 /nfs/dbraw/zinc/76/83/51/478768351.db2.gz FCQISLUFLYJETD-QKCSRTOESA-N 1 0 334.397 2.734 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601293654 478768871 /nfs/dbraw/zinc/76/88/71/478768871.db2.gz IJIPSGQQZKSICY-YPMHNXCESA-N 1 0 341.293 2.567 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295390 478769286 /nfs/dbraw/zinc/76/92/86/478769286.db2.gz VONWULQERXSZER-GWCFXTLKSA-N 1 0 343.309 2.949 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000491988558 478769783 /nfs/dbraw/zinc/76/97/83/478769783.db2.gz CYSXVYOWOFTQPX-FPLPWBNLSA-N 1 0 329.400 2.741 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341447 478774494 /nfs/dbraw/zinc/77/44/94/478774494.db2.gz BODFIBRNBZRHIT-HOTGVXAUSA-N 1 0 333.432 2.764 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC)C1 ZINC000598341411 478775001 /nfs/dbraw/zinc/77/50/01/478775001.db2.gz AZAGTRGGWKZRLT-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341448 478775645 /nfs/dbraw/zinc/77/56/45/478775645.db2.gz BODFIBRNBZRHIT-HZPDHXFCSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[NH2+]CCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000564656427 478780028 /nfs/dbraw/zinc/78/00/28/478780028.db2.gz YIQXMZPZZLOBOU-UHFFFAOYSA-N 1 0 348.447 2.561 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595467549 478802182 /nfs/dbraw/zinc/80/21/82/478802182.db2.gz HSRSQSNMXOUSIU-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595467552 478802205 /nfs/dbraw/zinc/80/22/05/478802205.db2.gz HSRSQSNMXOUSIU-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595474511 478805187 /nfs/dbraw/zinc/80/51/87/478805187.db2.gz VNEZGUIOLZBNSO-MRXNPFEDSA-N 1 0 346.431 2.516 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000592160305 478805481 /nfs/dbraw/zinc/80/54/81/478805481.db2.gz JKFOQPPSOGZSRL-HNNXBMFYSA-N 1 0 334.347 2.826 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCO)c1ccccc1F ZINC000592160322 478805552 /nfs/dbraw/zinc/80/55/52/478805552.db2.gz JKFOQPPSOGZSRL-OAHLLOKOSA-N 1 0 334.347 2.826 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595478198 478808907 /nfs/dbraw/zinc/80/89/07/478808907.db2.gz ZBACUFSDBUXKPH-DJIMGWMZSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595478141 478809103 /nfs/dbraw/zinc/80/91/03/478809103.db2.gz XYIIGROMZZXAOI-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2cccnc2)C1 ZINC000564797661 478813848 /nfs/dbraw/zinc/81/38/48/478813848.db2.gz XOFZQPKXOPRIEB-UKRRQHHQSA-N 1 0 340.383 2.806 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595484598 478814745 /nfs/dbraw/zinc/81/47/45/478814745.db2.gz MJLBLRISGISUOF-HLLBOEOZSA-N 1 0 331.416 2.516 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183126 478816394 /nfs/dbraw/zinc/81/63/94/478816394.db2.gz RKQGQRPRWVFCKB-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184030 478817549 /nfs/dbraw/zinc/81/75/49/478817549.db2.gz XRECKWRLOYNLPV-KGLIPLIRSA-N 1 0 347.415 2.813 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492091864 478819859 /nfs/dbraw/zinc/81/98/59/478819859.db2.gz VIJFUPIBOUEWCE-QWPQOLDESA-N 1 0 343.427 2.798 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000595505453 478825415 /nfs/dbraw/zinc/82/54/15/478825415.db2.gz UIRMPDQAFMDFMG-KRWDZBQOSA-N 1 0 330.388 2.654 20 5 EFBDRO Cc1noc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595522197 478833475 /nfs/dbraw/zinc/83/34/75/478833475.db2.gz JHYRXJFFFQIRSF-AWEZNQCLSA-N 1 0 337.401 2.946 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2ccccc2F)c1 ZINC000564863408 478838174 /nfs/dbraw/zinc/83/81/74/478838174.db2.gz GSZNCWRJDTZNNI-INIZCTEOSA-N 1 0 348.374 2.696 20 5 EFBDRO C[C@@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000503389877 478840149 /nfs/dbraw/zinc/84/01/49/478840149.db2.gz IEEUEIOYNYEFMI-PXAZEXFGSA-N 1 0 347.802 2.935 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592246858 478840315 /nfs/dbraw/zinc/84/03/15/478840315.db2.gz MADLFPALIFQHOZ-RISCZKNCSA-N 1 0 335.429 2.531 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255209 478842488 /nfs/dbraw/zinc/84/24/88/478842488.db2.gz OSHVCQOQPDZIDN-CHWSQXEVSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1noc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000595551919 478850708 /nfs/dbraw/zinc/85/07/08/478850708.db2.gz ZTMGNKLXNPVRDL-JKSUJKDBSA-N 1 0 342.399 2.598 20 5 EFBDRO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])cn4C)n3)nc12 ZINC000544633248 478854347 /nfs/dbraw/zinc/85/43/47/478854347.db2.gz MQBJBFTYWBLBPR-UHFFFAOYSA-N 1 0 338.327 2.530 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592337306 478862505 /nfs/dbraw/zinc/86/25/05/478862505.db2.gz DULLFXPKNLPFHX-FOLVSLTJSA-N 1 0 347.440 2.577 20 5 EFBDRO CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592333351 478862749 /nfs/dbraw/zinc/86/27/49/478862749.db2.gz XZVUZWOFTPRIGW-JOYOIKCWSA-N 1 0 345.321 2.813 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601520660 478863393 /nfs/dbraw/zinc/86/33/93/478863393.db2.gz ILZZCCVZQHJYCR-UHFFFAOYSA-N 1 0 345.374 2.768 20 5 EFBDRO O=C(NC[C@H]1CCN1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598509205 478869343 /nfs/dbraw/zinc/86/93/43/478869343.db2.gz JQPVNKPAUKNOAU-MRXNPFEDSA-N 1 0 343.358 2.738 20 5 EFBDRO O=C(NC[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598508819 478870274 /nfs/dbraw/zinc/87/02/74/478870274.db2.gz IEOOTQXIZFWQSC-HNNXBMFYSA-N 1 0 343.358 2.738 20 5 EFBDRO C[C@H]1C[C@H](CCNc2ncc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000544847143 478870273 /nfs/dbraw/zinc/87/02/73/478870273.db2.gz SVQAHQKKJRRKIM-HOCLYGCPSA-N 1 0 341.415 2.519 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595588422 478871489 /nfs/dbraw/zinc/87/14/89/478871489.db2.gz QKBHZPWXAGZKCQ-AWEZNQCLSA-N 1 0 334.420 2.575 20 5 EFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592374801 478872343 /nfs/dbraw/zinc/87/23/43/478872343.db2.gz JROOQHHERICQMZ-XJKSGUPXSA-N 1 0 346.431 2.882 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000595598999 478877963 /nfs/dbraw/zinc/87/79/63/478877963.db2.gz JHWRLBCZQSTHQI-UHFFFAOYSA-N 1 0 328.796 2.612 20 5 EFBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595600541 478879620 /nfs/dbraw/zinc/87/96/20/478879620.db2.gz HIGUKSHTMRZTIM-SJORKVTESA-N 1 0 344.415 2.606 20 5 EFBDRO Cc1cccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598537840 478884666 /nfs/dbraw/zinc/88/46/66/478884666.db2.gz QLGHYIUNAMHKDB-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492233005 478884825 /nfs/dbraw/zinc/88/48/25/478884825.db2.gz ROFYMEXZDTVRGC-ZCGHOXCVSA-N 1 0 347.390 2.690 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598541110 478886899 /nfs/dbraw/zinc/88/68/99/478886899.db2.gz OCLSTVORNNREAL-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000592428699 478891710 /nfs/dbraw/zinc/89/17/10/478891710.db2.gz MCUNKMXANKVOEV-WBMJQRKESA-N 1 0 347.440 2.871 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427672 478892290 /nfs/dbraw/zinc/89/22/90/478892290.db2.gz PBRWELSRJLWLIC-GXFFZTMASA-N 1 0 329.347 2.755 20 5 EFBDRO [NH3+]CCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCCC1 ZINC000592435313 478893684 /nfs/dbraw/zinc/89/36/84/478893684.db2.gz UBLHMBXPFCDAAX-UHFFFAOYSA-N 1 0 349.431 2.707 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)cs2)c1 ZINC000592432857 478894050 /nfs/dbraw/zinc/89/40/50/478894050.db2.gz ZCIRQLWIQVOEPB-BLLLJJGKSA-N 1 0 344.440 2.902 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560417 478895394 /nfs/dbraw/zinc/89/53/94/478895394.db2.gz LKUQOLGPJBLCDX-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507170195 478906859 /nfs/dbraw/zinc/90/68/59/478906859.db2.gz MADVRIMKVUKMIO-UHFFFAOYSA-N 1 0 330.388 2.606 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492297453 478915571 /nfs/dbraw/zinc/91/55/71/478915571.db2.gz SEXURMZMNLAJLF-SREVYHEPSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670668 478927055 /nfs/dbraw/zinc/92/70/55/478927055.db2.gz HVQLMQMOOAEFGS-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492320395 478928286 /nfs/dbraw/zinc/92/82/86/478928286.db2.gz OUBGDKALKLLBRD-HSBSLETESA-N 1 0 331.416 2.797 20 5 EFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678684 478931414 /nfs/dbraw/zinc/93/14/14/478931414.db2.gz SVHFYZFFSHSHCM-SMDDNHRTSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678693 478932562 /nfs/dbraw/zinc/93/25/62/478932562.db2.gz SXJYNAXHYJXTHA-CZUORRHYSA-N 1 0 349.431 2.715 20 5 EFBDRO CCc1cc(NCC2([NH2+]C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598632594 478934169 /nfs/dbraw/zinc/93/41/69/478934169.db2.gz GSGLKGWUEPVFKM-UHFFFAOYSA-N 1 0 341.415 2.590 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000572869011 478940893 /nfs/dbraw/zinc/94/08/93/478940893.db2.gz IMPYKHNGYYYNJW-LLVKDONJSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000583792774 478941431 /nfs/dbraw/zinc/94/14/31/478941431.db2.gz QORAMEDAYYYZNE-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554707 478942126 /nfs/dbraw/zinc/94/21/26/478942126.db2.gz MGIGSMOSUYMPIF-OLZOCXBDSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554089 478942204 /nfs/dbraw/zinc/94/22/04/478942204.db2.gz CEGCZXBRWUBMJB-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568654 478943918 /nfs/dbraw/zinc/94/39/18/478943918.db2.gz NHDQOFLVAHSAMR-OLZOCXBDSA-N 1 0 349.456 2.866 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595701848 478944221 /nfs/dbraw/zinc/94/42/21/478944221.db2.gz GRSZKQHWTKPVJW-OAHLLOKOSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649079 478944357 /nfs/dbraw/zinc/94/43/57/478944357.db2.gz VHBCOAWRWWRQNQ-ZYHUDNBSSA-N 1 0 343.221 2.808 20 5 EFBDRO C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598649077 478944599 /nfs/dbraw/zinc/94/45/99/478944599.db2.gz VHBCOAWRWWRQNQ-JQWIXIFHSA-N 1 0 343.221 2.808 20 5 EFBDRO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000583805910 478945031 /nfs/dbraw/zinc/94/50/31/478945031.db2.gz HKVKHIFGVYMKPA-JKSUJKDBSA-N 1 0 335.452 2.739 20 5 EFBDRO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000583805908 478946238 /nfs/dbraw/zinc/94/62/38/478946238.db2.gz HKVKHIFGVYMKPA-HOTGVXAUSA-N 1 0 335.452 2.739 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702206 478946813 /nfs/dbraw/zinc/94/68/13/478946813.db2.gz SWBOUURCNRYSKA-SMDDNHRTSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595706880 478950343 /nfs/dbraw/zinc/95/03/43/478950343.db2.gz YAZLRYKOWWIPEO-GUYCJALGSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000595706041 478950621 /nfs/dbraw/zinc/95/06/21/478950621.db2.gz WTYHEWZBADMDJS-CZUORRHYSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598664310 478954093 /nfs/dbraw/zinc/95/40/93/478954093.db2.gz DSQZAASMZMHBKE-AWEZNQCLSA-N 1 0 331.416 2.866 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000565293748 478971505 /nfs/dbraw/zinc/97/15/05/478971505.db2.gz ODUZLJQKFUAVDM-INIZCTEOSA-N 1 0 346.431 2.514 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000573020629 478974645 /nfs/dbraw/zinc/97/46/45/478974645.db2.gz QQDZSARMIHXEBQ-KSSFIOAISA-N 1 0 345.443 2.673 20 5 EFBDRO Cn1c2ccc(CNc3ncc([N+](=O)[O-])s3)cc2nc1C1CC1 ZINC000583945223 478977917 /nfs/dbraw/zinc/97/79/17/478977917.db2.gz MKAYINNLCDCEDX-UHFFFAOYSA-N 1 0 329.385 2.849 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511585747 478980625 /nfs/dbraw/zinc/98/06/25/478980625.db2.gz LMEFFRJIWLUQOB-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000595772788 478988827 /nfs/dbraw/zinc/98/88/27/478988827.db2.gz UZTQJKORJCIJNE-MWLCHTKSSA-N 1 0 346.330 2.550 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000573239912 479022537 /nfs/dbraw/zinc/02/25/37/479022537.db2.gz UZIFQTUWRJFIAK-ZDUSSCGKSA-N 1 0 342.237 2.883 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000584159656 479033665 /nfs/dbraw/zinc/03/36/65/479033665.db2.gz QAZJGBHNGAFRDE-CYBMUJFWSA-N 1 0 330.310 2.541 20 5 EFBDRO CC[C@@H](C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565593773 479042602 /nfs/dbraw/zinc/04/26/02/479042602.db2.gz DOUMOHHLUCDTNJ-CHWSQXEVSA-N 1 0 328.434 2.783 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@]1(C)CO ZINC000595875111 479044168 /nfs/dbraw/zinc/04/41/68/479044168.db2.gz PLZXCXRRFUIHFI-SJKOYZFVSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514669290 479045794 /nfs/dbraw/zinc/04/57/94/479045794.db2.gz ZHPHZIQDGMOEGS-GJZGRUSLSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2=CCSC2)cccc1[N+](=O)[O-] ZINC000595888771 479054215 /nfs/dbraw/zinc/05/42/15/479054215.db2.gz OHDSBIQWSAHKDV-UHFFFAOYSA-N 1 0 335.429 2.837 20 5 EFBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000565656918 479055991 /nfs/dbraw/zinc/05/59/91/479055991.db2.gz NHQVCHQEXMVGQP-HUUCEWRRSA-N 1 0 334.397 2.827 20 5 EFBDRO O=C(CC[NH2+]CCOCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000584227041 479058702 /nfs/dbraw/zinc/05/87/02/479058702.db2.gz CKIGGTLDGDTVJW-UHFFFAOYSA-N 1 0 343.383 2.730 20 5 EFBDRO CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](C)C1 ZINC000592828356 479062412 /nfs/dbraw/zinc/06/24/12/479062412.db2.gz HOJLNHDGBOYWQU-OAHLLOKOSA-N 1 0 344.415 2.561 20 5 EFBDRO CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828327 479063462 /nfs/dbraw/zinc/06/34/62/479063462.db2.gz GPNQHNWUCQXAJK-ZDUSSCGKSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC1(C)C ZINC000595908723 479065025 /nfs/dbraw/zinc/06/50/25/479065025.db2.gz KBBYQFZPMLTJKL-VXGBXAGGSA-N 1 0 335.404 2.908 20 5 EFBDRO CC1(C)C[C@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000595909426 479065065 /nfs/dbraw/zinc/06/50/65/479065065.db2.gz NINQILOAWZNHPK-SFHVURJKSA-N 1 0 327.384 2.672 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000584271634 479072592 /nfs/dbraw/zinc/07/25/92/479072592.db2.gz COPZDWYQMGTPJL-GJZGRUSLSA-N 1 0 343.431 2.956 20 5 EFBDRO Cc1cc(NC[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573468884 479075023 /nfs/dbraw/zinc/07/50/23/479075023.db2.gz UJLORHFAWMXXNB-IUODEOHRSA-N 1 0 342.399 2.867 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1C[NH2+]C2 ZINC000595925844 479075430 /nfs/dbraw/zinc/07/54/30/479075430.db2.gz URNITAGNCYVITB-UHFFFAOYSA-N 1 0 339.395 2.951 20 5 EFBDRO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595922235 479076021 /nfs/dbraw/zinc/07/60/21/479076021.db2.gz AXLAIQPFKWBFKV-UHFFFAOYSA-N 1 0 329.381 2.505 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc3c2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000595928715 479077238 /nfs/dbraw/zinc/07/72/38/479077238.db2.gz FJVUHFHAQXCNAF-GFCCVEGCSA-N 1 0 325.368 2.997 20 5 EFBDRO Cc1c(CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595935615 479079205 /nfs/dbraw/zinc/07/92/05/479079205.db2.gz GUZPZUOMCLGZEX-QGZVFWFLSA-N 1 0 345.443 2.684 20 5 EFBDRO CN(CC(C)(C)[NH3+])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595946008 479079853 /nfs/dbraw/zinc/07/98/53/479079853.db2.gz RPBRAVGVDRWVOA-UHFFFAOYSA-N 1 0 334.401 2.528 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000493615059 479082803 /nfs/dbraw/zinc/08/28/03/479082803.db2.gz FMQDNRDNWRBYMW-JEZWAEDTSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000598914347 479083329 /nfs/dbraw/zinc/08/33/29/479083329.db2.gz AXSZVPRHHHBIOS-UHFFFAOYSA-N 1 0 336.367 2.731 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000598914001 479083865 /nfs/dbraw/zinc/08/38/65/479083865.db2.gz URXDFMAIYORVHW-RYUDHWBXSA-N 1 0 336.367 2.587 20 5 EFBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000598914122 479084056 /nfs/dbraw/zinc/08/40/56/479084056.db2.gz ZDZVXXCRXJXXPH-VHSXEESVSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916256 479084814 /nfs/dbraw/zinc/08/48/14/479084814.db2.gz UYNSVPMJABVXQR-RNCFNFMXSA-N 1 0 326.784 2.982 20 5 EFBDRO C[N@@H+]1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000598954215 479100037 /nfs/dbraw/zinc/10/00/37/479100037.db2.gz PQNUWWDZPGLPRE-SJORKVTESA-N 1 0 325.368 2.879 20 5 EFBDRO CNc1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000547321175 479108479 /nfs/dbraw/zinc/10/84/79/479108479.db2.gz ZPXQMTFGRCTYEZ-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CCCCn1nnnc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000573673935 479117092 /nfs/dbraw/zinc/11/70/92/479117092.db2.gz VRSNVINQFWHWIB-HNNXBMFYSA-N 1 0 344.419 2.761 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076639 479123581 /nfs/dbraw/zinc/12/35/81/479123581.db2.gz NIHWSVMUEVMYJU-UHFFFAOYSA-N 1 0 342.399 2.716 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000593011194 479124057 /nfs/dbraw/zinc/12/40/57/479124057.db2.gz MRARFHRSJUNACF-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596081081 479126528 /nfs/dbraw/zinc/12/65/28/479126528.db2.gz CWIYSCLDSVZEJU-NFAWXSAZSA-N 1 0 346.431 2.535 20 5 EFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000584413247 479127064 /nfs/dbraw/zinc/12/70/64/479127064.db2.gz POUSYSTYWOXAPH-UHFFFAOYSA-N 1 0 340.383 2.558 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000584415348 479127097 /nfs/dbraw/zinc/12/70/97/479127097.db2.gz DYYMPMXRMJNJIF-YVEFUNNKSA-N 1 0 329.400 2.573 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000599023222 479129607 /nfs/dbraw/zinc/12/96/07/479129607.db2.gz RDDQKFVOKVGSLK-QGZVFWFLSA-N 1 0 330.384 2.652 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493720651 479130951 /nfs/dbraw/zinc/13/09/51/479130951.db2.gz IPVLBEMJTOOQGT-SCXUMTSISA-N 1 0 335.379 2.595 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090006 479131959 /nfs/dbraw/zinc/13/19/59/479131959.db2.gz SUBITTJVPUUZQF-TZMCWYRMSA-N 1 0 328.372 2.943 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032218 479134943 /nfs/dbraw/zinc/13/49/43/479134943.db2.gz MIUVIZMYWDNILS-OAHLLOKOSA-N 1 0 347.459 2.791 20 5 EFBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+](C)C)cc1 ZINC000596093567 479135095 /nfs/dbraw/zinc/13/50/95/479135095.db2.gz VYRARXPEHRYFSU-QGZVFWFLSA-N 1 0 342.399 2.717 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593036392 479135883 /nfs/dbraw/zinc/13/58/83/479135883.db2.gz DTZJVUVJDIVRPQ-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596096110 479136725 /nfs/dbraw/zinc/13/67/25/479136725.db2.gz BLHOCZRVZOJPHK-UHFFFAOYSA-N 1 0 339.461 2.903 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596098533 479136851 /nfs/dbraw/zinc/13/68/51/479136851.db2.gz RAXHSPAVMHGJBU-AWEZNQCLSA-N 1 0 333.436 2.520 20 5 EFBDRO C[C@@H]1CN(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102696 479139346 /nfs/dbraw/zinc/13/93/46/479139346.db2.gz VVDZWWSXGCVSNV-SNVBAGLBSA-N 1 0 333.310 2.746 20 5 EFBDRO C[C@H]1CN(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCO1 ZINC000596102695 479139759 /nfs/dbraw/zinc/13/97/59/479139759.db2.gz VVDZWWSXGCVSNV-JTQLQIEISA-N 1 0 333.310 2.746 20 5 EFBDRO C[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000596104459 479140968 /nfs/dbraw/zinc/14/09/68/479140968.db2.gz LDCALMUCNRROMT-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596104754 479141208 /nfs/dbraw/zinc/14/12/08/479141208.db2.gz MVSVHODRWCVQMD-LBPRGKRZSA-N 1 0 334.420 2.616 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1CC ZINC000599062441 479144288 /nfs/dbraw/zinc/14/42/88/479144288.db2.gz QCTYNIKMYMSZTK-LBPRGKRZSA-N 1 0 335.433 2.867 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599070137 479147798 /nfs/dbraw/zinc/14/77/98/479147798.db2.gz LJKXGPQNPVAFQX-CABCVRRESA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599069001 479148039 /nfs/dbraw/zinc/14/80/39/479148039.db2.gz SKGSXEWCZHCFDA-HIFRSBDPSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593057309 479149267 /nfs/dbraw/zinc/14/92/67/479149267.db2.gz SLWGNKYIUUKWIG-ZDUSSCGKSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593059361 479150458 /nfs/dbraw/zinc/15/04/58/479150458.db2.gz PLSVZEPRJLDCHU-KGLIPLIRSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000599074697 479151082 /nfs/dbraw/zinc/15/10/82/479151082.db2.gz VGZOZJYRJIXJRC-KHIZAZIESA-N 1 0 329.356 2.876 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000493768119 479152123 /nfs/dbraw/zinc/15/21/23/479152123.db2.gz CQQAXAPGWSOKBB-KHPPLWFESA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596124571 479151989 /nfs/dbraw/zinc/15/19/89/479151989.db2.gz YYIGWZSIIYVAHI-NSHDSACASA-N 1 0 328.363 2.580 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596127286 479153072 /nfs/dbraw/zinc/15/30/72/479153072.db2.gz WKVKLVPWQGQYRU-UONOGXRCSA-N 1 0 334.420 2.786 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593063693 479153264 /nfs/dbraw/zinc/15/32/64/479153264.db2.gz VBRJDXRWHBBMPC-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596127284 479153618 /nfs/dbraw/zinc/15/36/18/479153618.db2.gz WKVKLVPWQGQYRU-KGLIPLIRSA-N 1 0 334.420 2.786 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573833919 479155060 /nfs/dbraw/zinc/15/50/60/479155060.db2.gz CQKWYMJQPPNRBX-CABZTGNLSA-N 1 0 345.321 2.861 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596132857 479155882 /nfs/dbraw/zinc/15/58/82/479155882.db2.gz RUPQKNAOARAOOC-CYBMUJFWSA-N 1 0 341.415 2.631 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599106594 479162562 /nfs/dbraw/zinc/16/25/62/479162562.db2.gz WLXMVHXUKNEDEH-BETUJISGSA-N 1 0 327.388 2.547 20 5 EFBDRO C[NH+](C)C1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000584522953 479162980 /nfs/dbraw/zinc/16/29/80/479162980.db2.gz LYRRVWGIVPBAPT-UHFFFAOYSA-N 1 0 331.376 2.528 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000596146072 479163226 /nfs/dbraw/zinc/16/32/26/479163226.db2.gz KWYKLXKQXUUEFL-XHDPSFHLSA-N 1 0 347.444 2.550 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000599110045 479164064 /nfs/dbraw/zinc/16/40/64/479164064.db2.gz CYUUYNFSEQVPRV-TXEJJXNPSA-N 1 0 330.363 2.983 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584540231 479173199 /nfs/dbraw/zinc/17/31/99/479173199.db2.gz RIQQNFABPXTUPA-MJEQTWJJSA-N 1 0 342.399 2.826 20 5 EFBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584566400 479176242 /nfs/dbraw/zinc/17/62/42/479176242.db2.gz ZXZCOKHWUDMBKK-CYBMUJFWSA-N 1 0 331.376 2.517 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000599139499 479177245 /nfs/dbraw/zinc/17/72/45/479177245.db2.gz PCSMNOGPXDITDK-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000599139500 479177376 /nfs/dbraw/zinc/17/73/76/479177376.db2.gz PCSMNOGPXDITDK-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596172287 479177833 /nfs/dbraw/zinc/17/78/33/479177833.db2.gz SXBPNGGSHYOBIZ-LBPRGKRZSA-N 1 0 343.387 2.728 20 5 EFBDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])s1 ZINC000596179674 479183233 /nfs/dbraw/zinc/18/32/33/479183233.db2.gz OFXJPIBJIBABAC-UHFFFAOYSA-N 1 0 336.417 2.912 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000610774673 479183869 /nfs/dbraw/zinc/18/38/69/479183869.db2.gz JIMXMUAARMVISC-UHFFFAOYSA-N 1 0 332.360 2.985 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599157348 479186785 /nfs/dbraw/zinc/18/67/85/479186785.db2.gz TZLZITLNUIIEMU-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988060 479189985 /nfs/dbraw/zinc/18/99/85/479189985.db2.gz XSVTXKYUSRHKFV-ARFHVFGLSA-N 1 0 335.452 2.739 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603007275 479191721 /nfs/dbraw/zinc/19/17/21/479191721.db2.gz DSLBMHDFZFEADN-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197657 479192862 /nfs/dbraw/zinc/19/28/62/479192862.db2.gz ZDROIABZUOLBNE-OLZOCXBDSA-N 1 0 342.852 2.659 20 5 EFBDRO CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197659 479193502 /nfs/dbraw/zinc/19/35/02/479193502.db2.gz ZDROIABZUOLBNE-STQMWFEESA-N 1 0 342.852 2.659 20 5 EFBDRO O=c1[nH]ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596222037 479208207 /nfs/dbraw/zinc/20/82/07/479208207.db2.gz IRLPUAIEQYNYEA-AWEZNQCLSA-N 1 0 328.372 2.629 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000584730369 479222224 /nfs/dbraw/zinc/22/22/24/479222224.db2.gz QNSULSQFXHWDHG-TXEJJXNPSA-N 1 0 330.388 2.631 20 5 EFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC12CCCCC2 ZINC000596251426 479223684 /nfs/dbraw/zinc/22/36/84/479223684.db2.gz STEGMJBTJNNNQF-UHFFFAOYSA-N 1 0 335.433 2.759 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252370 479225409 /nfs/dbraw/zinc/22/54/09/479225409.db2.gz JMMSICQNPQMMBF-UHFFFAOYSA-N 1 0 343.431 2.878 20 5 EFBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000596257071 479227382 /nfs/dbraw/zinc/22/73/82/479227382.db2.gz KLWBNEGDIJJMNB-AWEZNQCLSA-N 1 0 342.399 2.654 20 5 EFBDRO COC(=O)C1([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000610901411 479228391 /nfs/dbraw/zinc/22/83/91/479228391.db2.gz ZTENOSWHFYEWJO-UHFFFAOYSA-N 1 0 336.388 2.781 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189619 479229903 /nfs/dbraw/zinc/22/99/03/479229903.db2.gz VUBUMGYUUGUTEC-XQHKEYJVSA-N 1 0 337.395 2.777 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000610915851 479231613 /nfs/dbraw/zinc/23/16/13/479231613.db2.gz SPMPKAQHAAJGPJ-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593190710 479231742 /nfs/dbraw/zinc/23/17/42/479231742.db2.gz OISUPUUAKNQYSZ-HZSPNIEDSA-N 1 0 349.431 2.935 20 5 EFBDRO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC000603082411 479237630 /nfs/dbraw/zinc/23/76/30/479237630.db2.gz FMODROQGOWBWRA-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596295220 479242995 /nfs/dbraw/zinc/24/29/95/479242995.db2.gz RDMZHXGDOJEPRX-ZDUSSCGKSA-N 1 0 325.434 2.656 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306752 479246666 /nfs/dbraw/zinc/24/66/66/479246666.db2.gz HWGCCMDNBSHXAR-AWEZNQCLSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1ccnc(N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000585092004 479278845 /nfs/dbraw/zinc/27/88/45/479278845.db2.gz AFUJZVKEDXKOJJ-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO CC[N@@H+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000611092235 479281175 /nfs/dbraw/zinc/28/11/75/479281175.db2.gz MDKVQBIJHKJHDQ-STQMWFEESA-N 1 0 345.403 2.732 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000557545780 479288228 /nfs/dbraw/zinc/28/82/28/479288228.db2.gz KRICBECUXSIWJH-ZDUSSCGKSA-N 1 0 335.404 2.834 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000593316087 479289874 /nfs/dbraw/zinc/28/98/74/479289874.db2.gz RLBMPKCEMMHHEV-LRDDRELGSA-N 1 0 341.358 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cn1 ZINC000585117556 479291894 /nfs/dbraw/zinc/29/18/94/479291894.db2.gz LFVPTGOXHDNDMO-WBVHZDCISA-N 1 0 346.431 2.506 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596439190 479295904 /nfs/dbraw/zinc/29/59/04/479295904.db2.gz CLUMSARYVTVCET-LLVKDONJSA-N 1 0 338.383 2.976 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000611162591 479298593 /nfs/dbraw/zinc/29/85/93/479298593.db2.gz ATRNLYATZLOMLK-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611164769 479298848 /nfs/dbraw/zinc/29/88/48/479298848.db2.gz BHGFCKMVQRDSRX-CQSZACIVSA-N 1 0 344.415 2.608 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC2(CC2)CC1 ZINC000611177375 479302353 /nfs/dbraw/zinc/30/23/53/479302353.db2.gz IOBDLWFIYONGEA-UHFFFAOYSA-N 1 0 331.372 2.769 20 5 EFBDRO Cc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596458310 479302692 /nfs/dbraw/zinc/30/26/92/479302692.db2.gz HLARQHLLHHKJKI-DOMZBBRYSA-N 1 0 340.383 2.556 20 5 EFBDRO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC[NH+](C)CC1 ZINC000611196117 479308244 /nfs/dbraw/zinc/30/82/44/479308244.db2.gz OANYYOJAMBWQOI-NSHDSACASA-N 1 0 330.388 2.536 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596477384 479310424 /nfs/dbraw/zinc/31/04/24/479310424.db2.gz YSRZFEJMLWRLLZ-LBPRGKRZSA-N 1 0 338.383 2.976 20 5 EFBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611205223 479310847 /nfs/dbraw/zinc/31/08/47/479310847.db2.gz OECLQSIQGJJXSO-ZIAGYGMSSA-N 1 0 335.404 2.589 20 5 EFBDRO NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596478513 479311600 /nfs/dbraw/zinc/31/16/00/479311600.db2.gz OQWUWWQTDMYJSB-CYBMUJFWSA-N 1 0 332.404 2.513 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596480164 479312601 /nfs/dbraw/zinc/31/26/01/479312601.db2.gz WSPWDZJEANOING-CQSZACIVSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231504 479313571 /nfs/dbraw/zinc/31/35/71/479313571.db2.gz QJTRMVOJFUCHGK-NSHDSACASA-N 1 0 329.282 2.663 20 5 EFBDRO COCCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000599506471 479315153 /nfs/dbraw/zinc/31/51/53/479315153.db2.gz CEOWTACVQLUICS-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718789 479315411 /nfs/dbraw/zinc/31/54/11/479315411.db2.gz YEVRJYFVIRVFOH-IBGZPJMESA-N 1 0 342.395 2.748 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227237 479316787 /nfs/dbraw/zinc/31/67/87/479316787.db2.gz WZAJDVXIOWGKTI-JTQLQIEISA-N 1 0 343.225 2.719 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000593408527 479328786 /nfs/dbraw/zinc/32/87/86/479328786.db2.gz PFDIIZXSFRFTJC-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611268467 479330412 /nfs/dbraw/zinc/33/04/12/479330412.db2.gz SWMNTISLJRXIMX-IEBWSBKVSA-N 1 0 347.459 2.749 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611271198 479331685 /nfs/dbraw/zinc/33/16/85/479331685.db2.gz WGMOYQNKRYBYQG-CQSZACIVSA-N 1 0 343.431 2.521 20 5 EFBDRO O=[N+]([O-])c1ccc(CN(Cc2cc3c(cn2)OCCO3)C2CC2)cc1 ZINC000602439742 479332735 /nfs/dbraw/zinc/33/27/35/479332735.db2.gz MQNKXAKXWGXPBO-UHFFFAOYSA-N 1 0 341.367 2.926 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611273849 479334255 /nfs/dbraw/zinc/33/42/55/479334255.db2.gz OMUHAOHWQGJOSU-QGNVGDHZSA-N 1 0 346.427 2.860 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000593422993 479334557 /nfs/dbraw/zinc/33/45/57/479334557.db2.gz RIHUUAALBTULBV-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602446531 479336384 /nfs/dbraw/zinc/33/63/84/479336384.db2.gz FXIZTFJRZJGHMC-SECBINFHSA-N 1 0 334.294 2.855 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(C)COC1 ZINC000599571939 479337474 /nfs/dbraw/zinc/33/74/74/479337474.db2.gz XSEWESFIMWZACD-JTQLQIEISA-N 1 0 341.795 2.544 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596559421 479338809 /nfs/dbraw/zinc/33/88/09/479338809.db2.gz YGMPPLQABKBYMF-HNNXBMFYSA-N 1 0 329.404 2.806 20 5 EFBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559587 479338959 /nfs/dbraw/zinc/33/89/59/479338959.db2.gz ZMTHWTRYGHMPBN-CQSZACIVSA-N 1 0 329.404 2.577 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593434379 479339132 /nfs/dbraw/zinc/33/91/32/479339132.db2.gz DFYWORPJFLHWLT-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593456392 479348458 /nfs/dbraw/zinc/34/84/58/479348458.db2.gz DXJZQMAKNHELOI-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000586773243 479349062 /nfs/dbraw/zinc/34/90/62/479349062.db2.gz IOXCIXNHRPZLCW-HNNXBMFYSA-N 1 0 328.368 2.909 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611336024 479350596 /nfs/dbraw/zinc/35/05/96/479350596.db2.gz PNXURSFQSFCSQF-GDBMZVCRSA-N 1 0 343.431 2.750 20 5 EFBDRO O=C(C[NH+]1CCC2(CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000586783288 479352679 /nfs/dbraw/zinc/35/26/79/479352679.db2.gz ZLWWWDPHMKRSPA-UHFFFAOYSA-N 1 0 329.400 2.750 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602474998 479354668 /nfs/dbraw/zinc/35/46/68/479354668.db2.gz SJTDQQJYLBEMFJ-SECBINFHSA-N 1 0 348.266 2.802 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000593481309 479360680 /nfs/dbraw/zinc/36/06/80/479360680.db2.gz JOFIHMFXKJVOLI-SWLSCSKDSA-N 1 0 337.395 2.608 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000593488153 479363517 /nfs/dbraw/zinc/36/35/17/479363517.db2.gz BJGPFXJTKKAQPN-AWEZNQCLSA-N 1 0 349.406 2.611 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491657 479367353 /nfs/dbraw/zinc/36/73/53/479367353.db2.gz QRTDGAMFJSVMMO-SECBINFHSA-N 1 0 344.209 2.605 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000602494666 479367891 /nfs/dbraw/zinc/36/78/91/479367891.db2.gz HFFRCDSHSLJANT-OLZOCXBDSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000593505995 479369150 /nfs/dbraw/zinc/36/91/50/479369150.db2.gz ZULBSUQLPAAOON-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409151 479370948 /nfs/dbraw/zinc/37/09/48/479370948.db2.gz UXOMFSIBOBLCLB-JTQLQIEISA-N 1 0 332.360 2.879 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCn1ccnc1 ZINC000602502929 479370928 /nfs/dbraw/zinc/37/09/28/479370928.db2.gz IYIHGGMMCKXTOU-UHFFFAOYSA-N 1 0 328.294 2.990 20 5 EFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2sccc2[N+](=O)[O-])c1 ZINC000611411996 479371927 /nfs/dbraw/zinc/37/19/27/479371927.db2.gz CEBOKWBFXDMGCV-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO C[C@@H]1CN(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000602508128 479372881 /nfs/dbraw/zinc/37/28/81/479372881.db2.gz SLTVPLRWDFMELG-HUUCEWRRSA-N 1 0 335.448 2.615 20 5 EFBDRO CC(C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000602510723 479374710 /nfs/dbraw/zinc/37/47/10/479374710.db2.gz MLKQICIQPHVDGM-OAHLLOKOSA-N 1 0 332.404 2.946 20 5 EFBDRO CCCNC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602517406 479377334 /nfs/dbraw/zinc/37/73/34/479377334.db2.gz BAQIEHUUOFABFM-UHFFFAOYSA-N 1 0 333.310 2.620 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587972460 479377879 /nfs/dbraw/zinc/37/78/79/479377879.db2.gz IYEORNPUTJMISG-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000574958742 479379036 /nfs/dbraw/zinc/37/90/36/479379036.db2.gz YQDJEEARCWHSAN-SWLSCSKDSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602518104 479379532 /nfs/dbraw/zinc/37/95/32/479379532.db2.gz NNOKEPZXMJAFKN-JTQLQIEISA-N 1 0 345.321 2.714 20 5 EFBDRO Cn1cc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602522241 479380506 /nfs/dbraw/zinc/38/05/06/479380506.db2.gz SGQQJCGPYVEGFF-UHFFFAOYSA-N 1 0 328.294 2.679 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574971488 479380791 /nfs/dbraw/zinc/38/07/91/479380791.db2.gz XMNOGOAMMGPYRA-CABCVRRESA-N 1 0 333.432 2.935 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000611442806 479381682 /nfs/dbraw/zinc/38/16/82/479381682.db2.gz DHVUHSLYUURYFJ-MRXNPFEDSA-N 1 0 330.388 2.945 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000603426030 479383188 /nfs/dbraw/zinc/38/31/88/479383188.db2.gz BYYUGVJUXRKWTC-LBPRGKRZSA-N 1 0 330.331 2.837 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602538824 479387431 /nfs/dbraw/zinc/38/74/31/479387431.db2.gz CMDVKSYENBXWKV-PWSUYJOCSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cn1 ZINC000602540267 479388377 /nfs/dbraw/zinc/38/83/77/479388377.db2.gz KWVCGJQPYVETQD-OAHLLOKOSA-N 1 0 338.411 2.888 20 5 EFBDRO COc1cc(C[C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602541576 479388436 /nfs/dbraw/zinc/38/84/36/479388436.db2.gz WWRPLDCWJGFIAR-CYBMUJFWSA-N 1 0 331.372 2.598 20 5 EFBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602542963 479389728 /nfs/dbraw/zinc/38/97/28/479389728.db2.gz BXCCDTSDTIECQG-UHFFFAOYSA-N 1 0 347.337 2.866 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602542096 479390070 /nfs/dbraw/zinc/39/00/70/479390070.db2.gz SXYBPZQEFCHVNH-DGCLKSJQSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCC2CC2)cc1Br ZINC000602546010 479390775 /nfs/dbraw/zinc/39/07/75/479390775.db2.gz AOANQQFQURPBOD-UHFFFAOYSA-N 1 0 335.223 2.935 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000602550873 479393043 /nfs/dbraw/zinc/39/30/43/479393043.db2.gz DUORSQCHTBGTPW-GFCCVEGCSA-N 1 0 340.305 2.984 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602558988 479396366 /nfs/dbraw/zinc/39/63/66/479396366.db2.gz RQZDBAZRVGUVSI-HTQZYQBOSA-N 1 0 335.223 2.933 20 5 EFBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602559894 479397097 /nfs/dbraw/zinc/39/70/97/479397097.db2.gz JGFCLFUMRGRDDD-HOCLYGCPSA-N 1 0 333.432 2.954 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602562613 479397771 /nfs/dbraw/zinc/39/77/71/479397771.db2.gz XHIONINVVVLIJW-YJBOKZPZSA-N 1 0 348.447 2.752 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCOCC1 ZINC000602565290 479399692 /nfs/dbraw/zinc/39/96/92/479399692.db2.gz DZQNVKHRCAJTTF-QGZVFWFLSA-N 1 0 348.447 2.753 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCOCC1 ZINC000602565289 479399976 /nfs/dbraw/zinc/39/99/76/479399976.db2.gz DZQNVKHRCAJTTF-KRWDZBQOSA-N 1 0 348.447 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)nc2c1 ZINC000602566667 479401230 /nfs/dbraw/zinc/40/12/30/479401230.db2.gz AKWRLOGXOWLHOP-BZNIZROVSA-N 1 0 349.412 2.880 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000602573570 479402974 /nfs/dbraw/zinc/40/29/74/479402974.db2.gz RYDNERRHKPBPNO-LBPRGKRZSA-N 1 0 336.335 2.571 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602573011 479403457 /nfs/dbraw/zinc/40/34/57/479403457.db2.gz WGVBZZYCVLAVSS-JTQLQIEISA-N 1 0 335.223 2.933 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cn1 ZINC000602576756 479405537 /nfs/dbraw/zinc/40/55/37/479405537.db2.gz OWGAXGLFTIRVFC-GFCCVEGCSA-N 1 0 326.347 2.736 20 5 EFBDRO COCC1(C)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611530858 479407100 /nfs/dbraw/zinc/40/71/00/479407100.db2.gz SBMSPFDIPFMHQO-UHFFFAOYSA-N 1 0 336.388 2.615 20 5 EFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000611536542 479408259 /nfs/dbraw/zinc/40/82/59/479408259.db2.gz HISFVNLJWZGCKA-UHFFFAOYSA-N 1 0 348.403 2.639 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCO1 ZINC000602581773 479408835 /nfs/dbraw/zinc/40/88/35/479408835.db2.gz RLMDBPBKJHAKCF-HOTGVXAUSA-N 1 0 334.420 2.506 20 5 EFBDRO CCC1(O)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602582241 479410020 /nfs/dbraw/zinc/41/00/20/479410020.db2.gz PXHKIBVMOPOVCT-UHFFFAOYSA-N 1 0 348.447 2.632 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000602586845 479411357 /nfs/dbraw/zinc/41/13/57/479411357.db2.gz DCJDOPRRZWSBBL-OAHLLOKOSA-N 1 0 327.384 2.593 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593645791 479411960 /nfs/dbraw/zinc/41/19/60/479411960.db2.gz JITCKIVIMLLVKH-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602599873 479417454 /nfs/dbraw/zinc/41/74/54/479417454.db2.gz SGWGXPJSCINXLT-JHJVBQTASA-N 1 0 337.445 2.709 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593688406 479423744 /nfs/dbraw/zinc/42/37/44/479423744.db2.gz HVLOSLWDJFIQQH-ZMSDIMECSA-N 1 0 345.443 2.764 20 5 EFBDRO CCN1C[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000593687288 479424477 /nfs/dbraw/zinc/42/44/77/479424477.db2.gz LDJCITPLEORRMV-ZDUSSCGKSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@H]3CCCCO3)CC2)cn1 ZINC000602617328 479425422 /nfs/dbraw/zinc/42/54/22/479425422.db2.gz NRNHSYGHVPRUHW-QGZVFWFLSA-N 1 0 348.447 2.898 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593718275 479433233 /nfs/dbraw/zinc/43/32/33/479433233.db2.gz DCGKFCFKBHCLIN-DYVFJYSZSA-N 1 0 331.416 2.820 20 5 EFBDRO C[NH+]1CCC2(CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602627182 479433632 /nfs/dbraw/zinc/43/36/32/479433632.db2.gz STKWQFLRVCQUCS-UHFFFAOYSA-N 1 0 330.388 2.796 20 5 EFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1[N+](=O)[O-] ZINC000614533717 479438293 /nfs/dbraw/zinc/43/82/93/479438293.db2.gz KQCQBAIFISJTGX-QGZVFWFLSA-N 1 0 347.440 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)cn1 ZINC000602642370 479442353 /nfs/dbraw/zinc/44/23/53/479442353.db2.gz KQMCCUYCYIBTEF-GFCCVEGCSA-N 1 0 340.374 2.984 20 5 EFBDRO CCOC1CC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602647085 479445612 /nfs/dbraw/zinc/44/56/12/479445612.db2.gz SKAUQPALFBFBDZ-UHFFFAOYSA-N 1 0 348.447 2.753 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651978 479449624 /nfs/dbraw/zinc/44/96/24/479449624.db2.gz BIPRAAOVSDGNNO-DOMZBBRYSA-N 1 0 330.388 2.795 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000614584050 479449892 /nfs/dbraw/zinc/44/98/92/479449892.db2.gz VBXQWRCPGFJUSN-GOSISDBHSA-N 1 0 341.342 2.830 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593761295 479452252 /nfs/dbraw/zinc/45/22/52/479452252.db2.gz ZPMVIWFIFDPUAL-GUYCJALGSA-N 1 0 332.404 2.804 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611710544 479454092 /nfs/dbraw/zinc/45/40/92/479454092.db2.gz CJCQGJHTAGTRHN-AWEZNQCLSA-N 1 0 343.431 2.740 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665438 479460004 /nfs/dbraw/zinc/46/00/04/479460004.db2.gz JHSAVIJRYKBQDB-WFASDCNBSA-N 1 0 330.388 2.652 20 5 EFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665691 479460684 /nfs/dbraw/zinc/46/06/84/479460684.db2.gz XRJHEHVKLKGFQN-CPTIBSQESA-N 1 0 329.356 2.591 20 5 EFBDRO Cc1c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000602668364 479462040 /nfs/dbraw/zinc/46/20/40/479462040.db2.gz WOXKTJDKAUWICO-DLBZAZTESA-N 1 0 334.416 2.703 20 5 EFBDRO Cc1c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000602668771 479462742 /nfs/dbraw/zinc/46/27/42/479462742.db2.gz WOXKTJDKAUWICO-SJORKVTESA-N 1 0 334.416 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000575752910 479468064 /nfs/dbraw/zinc/46/80/64/479468064.db2.gz QLXIWPCCAQWXIV-KDOFPFPSSA-N 1 0 334.416 2.989 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596882365 479470766 /nfs/dbraw/zinc/47/07/66/479470766.db2.gz QKZXUFOGMYVJNV-HNNXBMFYSA-N 1 0 346.431 2.753 20 5 EFBDRO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677704 479470838 /nfs/dbraw/zinc/47/08/38/479470838.db2.gz SASUAHBHPREGAJ-OAHLLOKOSA-N 1 0 349.479 2.669 20 5 EFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602689390 479476452 /nfs/dbraw/zinc/47/64/52/479476452.db2.gz GQSIMYHRMYUUNF-LLVKDONJSA-N 1 0 345.321 2.524 20 5 EFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602689391 479476476 /nfs/dbraw/zinc/47/64/76/479476476.db2.gz GQSIMYHRMYUUNF-NSHDSACASA-N 1 0 345.321 2.524 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000589113530 479479982 /nfs/dbraw/zinc/47/99/82/479479982.db2.gz DEPPVEXJIIFCQG-WDEREUQCSA-N 1 0 347.337 2.505 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000589136945 479484721 /nfs/dbraw/zinc/48/47/21/479484721.db2.gz QGABCISKSIIDCT-YOGCLGLASA-N 1 0 344.371 2.994 20 5 EFBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704600 479488444 /nfs/dbraw/zinc/48/84/44/479488444.db2.gz AXYGJJRRXAZZGP-YHBNFXLMSA-N 1 0 337.401 2.515 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614712675 479489460 /nfs/dbraw/zinc/48/94/60/479489460.db2.gz QCXXMMLDJKHWNY-NILFDRSVSA-N 1 0 337.445 2.674 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000589162629 479489615 /nfs/dbraw/zinc/48/96/15/479489615.db2.gz QOPCUDUSFUJPDQ-STQMWFEESA-N 1 0 336.310 2.641 20 5 EFBDRO COC(=O)C[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000589165093 479489664 /nfs/dbraw/zinc/48/96/64/479489664.db2.gz SYQQUPKAWASUEY-GOSISDBHSA-N 1 0 343.383 2.600 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1-n1cncn1 ZINC000589185051 479492645 /nfs/dbraw/zinc/49/26/45/479492645.db2.gz VHPSLSKHOJLSRR-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000604303610 479499479 /nfs/dbraw/zinc/49/94/79/479499479.db2.gz UFRYHJFZYVOTDE-VNHYZAJKSA-N 1 0 346.431 2.535 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602717632 479501381 /nfs/dbraw/zinc/50/13/81/479501381.db2.gz LXFNYURGKAREPX-ZDUSSCGKSA-N 1 0 332.404 2.946 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602719784 479502798 /nfs/dbraw/zinc/50/27/98/479502798.db2.gz TYSBIMBTDIDGAI-JGZJWPJOSA-N 1 0 332.278 2.655 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593915697 479507509 /nfs/dbraw/zinc/50/75/09/479507509.db2.gz KEWPSTWZTCTXHR-HZMBPMFUSA-N 1 0 325.796 2.838 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1CC[NH3+] ZINC000593914480 479507741 /nfs/dbraw/zinc/50/77/41/479507741.db2.gz CGHFIYBEXHYOJG-FZMZJTMJSA-N 1 0 331.372 2.931 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916859 479508721 /nfs/dbraw/zinc/50/87/21/479508721.db2.gz SQJUYJHEVSINTK-GXTWGEPZSA-N 1 0 335.404 2.583 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000589374885 479519289 /nfs/dbraw/zinc/51/92/89/479519289.db2.gz NRHVTAZRHZNVJD-AWEZNQCLSA-N 1 0 332.404 2.763 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4n[nH]cc43)C2)nc1 ZINC000600117552 479526031 /nfs/dbraw/zinc/52/60/31/479526031.db2.gz WVMQTDWDWHBGMX-CYBMUJFWSA-N 1 0 338.371 2.553 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000611938369 479527169 /nfs/dbraw/zinc/52/71/69/479527169.db2.gz DLRRBUMGPYGWQP-CYBMUJFWSA-N 1 0 328.372 2.896 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000611938370 479527927 /nfs/dbraw/zinc/52/79/27/479527927.db2.gz DLRRBUMGPYGWQP-ZDUSSCGKSA-N 1 0 328.372 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCSC[C@H]3CO)o2)cc1 ZINC000602750463 479529026 /nfs/dbraw/zinc/52/90/26/479529026.db2.gz HVBSWSPGMWUNMZ-CQSZACIVSA-N 1 0 334.397 2.765 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000602756991 479531801 /nfs/dbraw/zinc/53/18/01/479531801.db2.gz CBMOXUQBVLTVPE-UHFFFAOYSA-N 1 0 344.415 2.781 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576084906 479533423 /nfs/dbraw/zinc/53/34/23/479533423.db2.gz NJCZAEXQOMQXHL-ZFWWWQNUSA-N 1 0 331.416 2.831 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOc1ccccc1Cl ZINC000602760604 479534140 /nfs/dbraw/zinc/53/41/40/479534140.db2.gz YIPGLXADABZZRW-UHFFFAOYSA-N 1 0 338.795 2.764 20 5 EFBDRO COc1cccc(C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000602766354 479536477 /nfs/dbraw/zinc/53/64/77/479536477.db2.gz QXLXWIYTSYZCQE-UHFFFAOYSA-N 1 0 344.415 2.988 20 5 EFBDRO COc1ccccc1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602766702 479537128 /nfs/dbraw/zinc/53/71/28/479537128.db2.gz RNNPFMDPMLODTB-UHFFFAOYSA-N 1 0 330.388 2.773 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602771824 479541642 /nfs/dbraw/zinc/54/16/42/479541642.db2.gz GMBXDCVOIVHWNT-QGZVFWFLSA-N 1 0 349.479 2.688 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000602782256 479548523 /nfs/dbraw/zinc/54/85/23/479548523.db2.gz PBJRUHZQPWAVLF-OAHLLOKOSA-N 1 0 332.429 2.890 20 5 EFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602782712 479549716 /nfs/dbraw/zinc/54/97/16/479549716.db2.gz VZNRPUKERWCGET-NUEKZKHPSA-N 1 0 336.436 2.625 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021281 479551637 /nfs/dbraw/zinc/55/16/37/479551637.db2.gz ROCXZVZBIJXRCP-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602797670 479560476 /nfs/dbraw/zinc/56/04/76/479560476.db2.gz IWSZNJZLKVVQEQ-CQSZACIVSA-N 1 0 346.431 2.919 20 5 EFBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000614977906 479566952 /nfs/dbraw/zinc/56/69/52/479566952.db2.gz PWVGSWLJPIWSSI-GOEBONIOSA-N 1 0 337.445 2.619 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000594053727 479569762 /nfs/dbraw/zinc/56/97/62/479569762.db2.gz PDJPEDIHZRGLTD-UHFFFAOYSA-N 1 0 342.367 2.906 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000602813766 479572136 /nfs/dbraw/zinc/57/21/36/479572136.db2.gz YLOMYIPDNUJRTB-UHFFFAOYSA-N 1 0 337.468 2.686 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCc2sccc2C1 ZINC000612074501 479572535 /nfs/dbraw/zinc/57/25/35/479572535.db2.gz ZZLMHJSGQSEPFE-CQSZACIVSA-N 1 0 348.424 2.844 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000589886919 479580645 /nfs/dbraw/zinc/58/06/45/479580645.db2.gz SZYPAHANYHGUPF-CYBMUJFWSA-N 1 0 348.447 2.859 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594094440 479586389 /nfs/dbraw/zinc/58/63/89/479586389.db2.gz JYGLEVMELYPWLM-DZGCQCFKSA-N 1 0 348.403 2.742 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000597158216 479598337 /nfs/dbraw/zinc/59/83/37/479598337.db2.gz ARZCWFWDZRFRAW-KBPBESRZSA-N 1 0 334.372 2.521 20 5 EFBDRO COC1CC[NH+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000590083461 479601305 /nfs/dbraw/zinc/60/13/05/479601305.db2.gz YPSUKCUMRGQTSU-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000590120671 479606076 /nfs/dbraw/zinc/60/60/76/479606076.db2.gz OCGMMGRXSGAFOG-SFHVURJKSA-N 1 0 344.411 2.899 20 5 EFBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000612201777 479609850 /nfs/dbraw/zinc/60/98/50/479609850.db2.gz XUSPMJNWHLFQQL-QWHCGFSZSA-N 1 0 336.388 2.661 20 5 EFBDRO CCN(CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590153406 479610882 /nfs/dbraw/zinc/61/08/82/479610882.db2.gz HEOURYQENINIPP-UHFFFAOYSA-N 1 0 333.310 2.524 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2ccncc2)C1 ZINC000578879281 479625094 /nfs/dbraw/zinc/62/50/94/479625094.db2.gz RHPZSCQSAIPKOC-OAHLLOKOSA-N 1 0 340.383 2.726 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195111 479625303 /nfs/dbraw/zinc/62/53/03/479625303.db2.gz CCGQMLURLYMMEX-BSDSXHPESA-N 1 0 343.427 2.831 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594196060 479626438 /nfs/dbraw/zinc/62/64/38/479626438.db2.gz KMYKXGFMCBRJPV-ZLIFDBKOSA-N 1 0 349.406 2.971 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000602915119 479628815 /nfs/dbraw/zinc/62/88/15/479628815.db2.gz GPIIGZCFHLRSFY-UHFFFAOYSA-N 1 0 348.378 2.782 20 5 EFBDRO CCNc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594200260 479629151 /nfs/dbraw/zinc/62/91/51/479629151.db2.gz KHQRSRYOEQBXGE-CVEARBPZSA-N 1 0 346.431 2.773 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C3([C@H](C)O)CC3)o2)c([N+](=O)[O-])c1 ZINC000597234416 479635040 /nfs/dbraw/zinc/63/50/40/479635040.db2.gz KXKLPSUNCKMQIV-NSHDSACASA-N 1 0 332.356 2.866 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)CO ZINC000597237042 479636334 /nfs/dbraw/zinc/63/63/34/479636334.db2.gz WARJRWYNOMCISK-BONVTDFDSA-N 1 0 330.331 2.647 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000618986661 479659925 /nfs/dbraw/zinc/65/99/25/479659925.db2.gz BCHIKYMPBHVCBK-AFAVFJNCSA-N 1 0 333.432 2.626 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000618986662 479660505 /nfs/dbraw/zinc/66/05/05/479660505.db2.gz BCHIKYMPBHVCBK-JCURWCKSSA-N 1 0 333.432 2.626 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987585 479660912 /nfs/dbraw/zinc/66/09/12/479660912.db2.gz LHTKBSQNGSRBIS-HNNXBMFYSA-N 1 0 329.404 2.761 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987586 479661100 /nfs/dbraw/zinc/66/11/00/479661100.db2.gz LHTKBSQNGSRBIS-OAHLLOKOSA-N 1 0 329.404 2.761 20 5 EFBDRO C[C@H](C(=O)N(C)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000612485921 479680932 /nfs/dbraw/zinc/68/09/32/479680932.db2.gz CSAREAWCEDPFNY-LBPRGKRZSA-N 1 0 325.384 2.638 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612544095 479689763 /nfs/dbraw/zinc/68/97/63/479689763.db2.gz LQYOCIIIRHKRNT-OLZOCXBDSA-N 1 0 337.395 2.828 20 5 EFBDRO COC1CCN(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615724082 479744782 /nfs/dbraw/zinc/74/47/82/479744782.db2.gz LKRJVIBRDUVUFM-NTCAYCPXSA-N 1 0 333.432 2.699 20 5 EFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000612788735 479762009 /nfs/dbraw/zinc/76/20/09/479762009.db2.gz BKKSNZIOXBKEPE-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000615833465 479765178 /nfs/dbraw/zinc/76/51/78/479765178.db2.gz LTIVCUKXYGKSFA-BAILOTOSSA-N 1 0 345.443 2.795 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000615835572 479766099 /nfs/dbraw/zinc/76/60/99/479766099.db2.gz RRLQGHDRIDFZAR-WIGMZFAJSA-N 1 0 345.443 2.529 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] ZINC000615943173 479789124 /nfs/dbraw/zinc/78/91/24/479789124.db2.gz OKLNPKMNWDOXSU-AWEZNQCLSA-N 1 0 332.404 2.866 20 5 EFBDRO CC(C)c1[nH]nc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1[N+](=O)[O-] ZINC000612955092 479816626 /nfs/dbraw/zinc/81/66/26/479816626.db2.gz SIAXCCGENYXWPE-FGWVZKOKSA-N 1 0 346.391 2.832 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619567138 479831076 /nfs/dbraw/zinc/83/10/76/479831076.db2.gz UPFGUTQNVOSLIO-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC12CCC[NH+]1CCC2 ZINC000619574122 479832205 /nfs/dbraw/zinc/83/22/05/479832205.db2.gz QZQNORUJIZQSCV-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000619579019 479834186 /nfs/dbraw/zinc/83/41/86/479834186.db2.gz ZEEWZBQVTNSBQD-CYBMUJFWSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000619578775 479834259 /nfs/dbraw/zinc/83/42/59/479834259.db2.gz PEJPGXOAVYYMHA-INIZCTEOSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000616254654 479862711 /nfs/dbraw/zinc/86/27/11/479862711.db2.gz FCEZPYMTVXYWDT-OAHLLOKOSA-N 1 0 334.420 2.577 20 5 EFBDRO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000609583617 480180993 /nfs/dbraw/zinc/18/09/93/480180993.db2.gz SKRIMKWRMWAINB-LLVKDONJSA-N 1 0 330.388 2.536 20 5 EFBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCOC1 ZINC000609631730 480192136 /nfs/dbraw/zinc/19/21/36/480192136.db2.gz RTBGDFGOVQKASK-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000617401411 480203094 /nfs/dbraw/zinc/20/30/94/480203094.db2.gz OBYUAOPXZWVLNK-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO O=[N+]([O-])c1ncccc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000609802589 480207558 /nfs/dbraw/zinc/20/75/58/480207558.db2.gz MTAUNIOZYYTNPK-SNVBAGLBSA-N 1 0 346.416 2.534 20 5 EFBDRO CCn1cnnc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000609851463 480213660 /nfs/dbraw/zinc/21/36/60/480213660.db2.gz MUCAUQOMPVDNDS-UHFFFAOYSA-N 1 0 341.371 2.799 20 5 EFBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609875843 480215570 /nfs/dbraw/zinc/21/55/70/480215570.db2.gz GXJADPQOVZBCJP-SNVBAGLBSA-N 1 0 325.796 2.708 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000610023879 480230540 /nfs/dbraw/zinc/23/05/40/480230540.db2.gz OZFHVENGLKTCON-OLZOCXBDSA-N 1 0 334.420 2.685 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610068034 480234548 /nfs/dbraw/zinc/23/45/48/480234548.db2.gz OBTLVKGVAQVZJL-ZDUSSCGKSA-N 1 0 342.399 2.634 20 5 EFBDRO Cc1cc(N2CC[C@H](C)[S@@](=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000617483677 480237494 /nfs/dbraw/zinc/23/74/94/480237494.db2.gz JEWCWPXMJPJEEV-MYODQAERSA-N 1 0 333.413 2.799 20 5 EFBDRO Cc1cc(N2CC[C@H](C)[S@](=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000617483676 480237550 /nfs/dbraw/zinc/23/75/50/480237550.db2.gz JEWCWPXMJPJEEV-DAOPMYJZSA-N 1 0 333.413 2.799 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610125506 480241168 /nfs/dbraw/zinc/24/11/68/480241168.db2.gz AGTBVTZHZOVXRW-OCCSQVGLSA-N 1 0 334.420 2.581 20 5 EFBDRO C[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000610161275 480245613 /nfs/dbraw/zinc/24/56/13/480245613.db2.gz CGPHKZZVEURFJE-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO C[C@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000610161274 480245748 /nfs/dbraw/zinc/24/57/48/480245748.db2.gz CGPHKZZVEURFJE-HNNXBMFYSA-N 1 0 330.384 2.857 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610391581 480296378 /nfs/dbraw/zinc/29/63/78/480296378.db2.gz DGPPAXSXEHOGAP-JKSUJKDBSA-N 1 0 333.432 2.843 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420549 480301259 /nfs/dbraw/zinc/30/12/59/480301259.db2.gz PDHUQVXGONFXSQ-RDTXWAMCSA-N 1 0 333.432 2.889 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000614444674 480308288 /nfs/dbraw/zinc/30/82/88/480308288.db2.gz CPISBVBDELEHLJ-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000614445235 480309354 /nfs/dbraw/zinc/30/93/54/480309354.db2.gz PRHYSHRBFWRDQS-GFCCVEGCSA-N 1 0 335.429 2.531 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610447764 480309635 /nfs/dbraw/zinc/30/96/35/480309635.db2.gz SZSQMFAKYHLPHB-FUHWJXTLSA-N 1 0 344.415 2.891 20 5 EFBDRO COc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)C)c1 ZINC000610485027 480318625 /nfs/dbraw/zinc/31/86/25/480318625.db2.gz YZNSRGKIUNCLMH-UHFFFAOYSA-N 1 0 332.404 2.958 20 5 EFBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512776 480326780 /nfs/dbraw/zinc/32/67/80/480326780.db2.gz DJJJTNQAZDGIGJ-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]3C[NH+]3CCCC3)c2c1 ZINC000614517879 480330060 /nfs/dbraw/zinc/33/00/60/480330060.db2.gz GUOGKMFNLADPJQ-AWEZNQCLSA-N 1 0 327.388 2.603 20 5 EFBDRO C[C@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000617758128 480354290 /nfs/dbraw/zinc/35/42/90/480354290.db2.gz IKHNDMHRBOUQBI-CYBMUJFWSA-N 1 0 337.423 2.751 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610643228 480354255 /nfs/dbraw/zinc/35/42/55/480354255.db2.gz XARCHVVLBLFRLV-CYBMUJFWSA-N 1 0 348.447 2.859 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000646862111 481521090 /nfs/dbraw/zinc/52/10/90/481521090.db2.gz VTRJVWVFLXSZCC-UGSOOPFHSA-N 1 0 335.407 2.576 20 5 EFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000152926196 533769237 /nfs/dbraw/zinc/76/92/37/533769237.db2.gz PCOSQFACMHWONQ-TYNCELHUSA-N 1 0 346.387 2.941 20 5 EFBDRO COc1cc(C[N@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1F ZINC000184266809 533781916 /nfs/dbraw/zinc/78/19/16/533781916.db2.gz NJMJHILMVPNHAP-UHFFFAOYSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000181095195 533785190 /nfs/dbraw/zinc/78/51/90/533785190.db2.gz FWDKUVMEGMRYRC-WFASDCNBSA-N 1 0 338.404 2.595 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000184329511 533788622 /nfs/dbraw/zinc/78/86/22/533788622.db2.gz WLHPJGWYTOQSNK-ABAIWWIYSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221136 533788710 /nfs/dbraw/zinc/78/87/10/533788710.db2.gz KDLXSONVPGEVEF-LBPRGKRZSA-N 1 0 325.384 2.516 20 5 EFBDRO COC(=O)c1cc(NC(=O)CC2(C[NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000184158399 533860830 /nfs/dbraw/zinc/86/08/30/533860830.db2.gz OVDWKAINWUGKBC-UHFFFAOYSA-N 1 0 349.387 2.619 20 5 EFBDRO COc1cc(C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000175996551 533868053 /nfs/dbraw/zinc/86/80/53/533868053.db2.gz CTCYMDCOZRLPGI-UHFFFAOYSA-N 1 0 346.330 2.600 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000189834871 533876402 /nfs/dbraw/zinc/87/64/02/533876402.db2.gz NELCFTOWOWLUKQ-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c([N+](=O)[O-])cc1O ZINC000187508861 533887919 /nfs/dbraw/zinc/88/79/19/533887919.db2.gz SLXMLBSPWSBRMG-UHFFFAOYSA-N 1 0 346.383 2.826 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173012971 533907274 /nfs/dbraw/zinc/90/72/74/533907274.db2.gz VJZWJEOFWZDRAB-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000191798205 533953109 /nfs/dbraw/zinc/95/31/09/533953109.db2.gz OGMWMWPNESCSQI-SFHVURJKSA-N 1 0 339.395 2.794 20 5 EFBDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679922 533985805 /nfs/dbraw/zinc/98/58/05/533985805.db2.gz ZHGZUDWRPBMICK-RYUDHWBXSA-N 1 0 332.360 2.877 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559581 533989018 /nfs/dbraw/zinc/98/90/18/533989018.db2.gz WSXRQLPIPHFBNS-YVEFUNNKSA-N 1 0 341.367 2.757 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000129458679 534034805 /nfs/dbraw/zinc/03/48/05/534034805.db2.gz YHYKZEFRMMNKRX-VIFPVBQESA-N 1 0 345.321 2.826 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177570359 534079545 /nfs/dbraw/zinc/07/95/45/534079545.db2.gz JBJPGXFYEBQUKM-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000131003420 534321358 /nfs/dbraw/zinc/32/13/58/534321358.db2.gz YWXMMSWUFNVBBZ-UHFFFAOYSA-N 1 0 343.358 2.685 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174529399 534334288 /nfs/dbraw/zinc/33/42/88/534334288.db2.gz HWPWFXLCZZBKCC-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000364004840 534372351 /nfs/dbraw/zinc/37/23/51/534372351.db2.gz RDGGBHIGQXSAGK-QWHCGFSZSA-N 1 0 349.406 2.755 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449212452 519088276 /nfs/dbraw/zinc/08/82/76/519088276.db2.gz SOMJXZZIFUYHEB-JKSUJKDBSA-N 1 0 331.416 2.619 20 5 EFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155039178 534426734 /nfs/dbraw/zinc/42/67/34/534426734.db2.gz SPLSXGKIBNPZPM-CYBMUJFWSA-N 1 0 329.356 2.552 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657751 534440151 /nfs/dbraw/zinc/44/01/51/534440151.db2.gz WHDAQTCNXVHCDS-CYBMUJFWSA-N 1 0 331.372 2.967 20 5 EFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773572 521700397 /nfs/dbraw/zinc/70/03/97/521700397.db2.gz NWAXLYWEUTZZCF-JKSUJKDBSA-N 1 0 349.431 2.719 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000072013460 521749432 /nfs/dbraw/zinc/74/94/32/521749432.db2.gz WJHPHWOQDFHIRT-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000077309077 521906150 /nfs/dbraw/zinc/90/61/50/521906150.db2.gz HTRUNSPWPXPQBH-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000065866477 521928781 /nfs/dbraw/zinc/92/87/81/521928781.db2.gz HSRUUBSCVNCTEV-UHFFFAOYSA-N 1 0 328.372 2.707 20 5 EFBDRO C[NH2+]CC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157885744 521977030 /nfs/dbraw/zinc/97/70/30/521977030.db2.gz MDTZICOBASRYSK-UHFFFAOYSA-N 1 0 342.237 2.789 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000076169230 522011922 /nfs/dbraw/zinc/01/19/22/522011922.db2.gz GBVRMSXYBMMTID-KRWDZBQOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000063804134 522072367 /nfs/dbraw/zinc/07/23/67/522072367.db2.gz HUNZYCJVENZHJP-QGZVFWFLSA-N 1 0 349.431 2.600 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000121223109 522375633 /nfs/dbraw/zinc/37/56/33/522375633.db2.gz IKVWCDYKZNPBQY-GFCCVEGCSA-N 1 0 346.387 2.715 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120103558 522606700 /nfs/dbraw/zinc/60/67/00/522606700.db2.gz GYQYPNKESREYME-ROUUACIJSA-N 1 0 335.448 2.992 20 5 EFBDRO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058092740 522825272 /nfs/dbraw/zinc/82/52/72/522825272.db2.gz XQJREOWDOLXQEE-UHFFFAOYSA-N 1 0 346.383 2.953 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883831 534678454 /nfs/dbraw/zinc/67/84/54/534678454.db2.gz VWXAUYLNLDNAEB-CQSZACIVSA-N 1 0 343.387 2.656 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000221630975 523923303 /nfs/dbraw/zinc/92/33/03/523923303.db2.gz DPYACWXVKWYUKW-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179065125 523923591 /nfs/dbraw/zinc/92/35/91/523923591.db2.gz FDYKMFDLOVMBDR-AWEZNQCLSA-N 1 0 341.367 2.821 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153722173 534751076 /nfs/dbraw/zinc/75/10/76/534751076.db2.gz VJWFPQMTZXLULI-XJKSGUPXSA-N 1 0 329.400 2.684 20 5 EFBDRO Cc1csc(=O)n1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153246449 534771491 /nfs/dbraw/zinc/77/14/91/534771491.db2.gz CSAKIBSHFNTHID-UHFFFAOYSA-N 1 0 333.413 2.791 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000150978592 524388297 /nfs/dbraw/zinc/38/82/97/524388297.db2.gz UEFOOYKYXYAEAH-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120916635 524556334 /nfs/dbraw/zinc/55/63/34/524556334.db2.gz UZQMPAZZJYTFGO-HZMBPMFUSA-N 1 0 325.796 2.660 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115659 524583783 /nfs/dbraw/zinc/58/37/83/524583783.db2.gz UHZHMILIGRPELY-VXGBXAGGSA-N 1 0 344.371 2.676 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120743484 524893921 /nfs/dbraw/zinc/89/39/21/524893921.db2.gz ABJRHMVHGSZDGH-YGRLFVJLSA-N 1 0 325.796 2.660 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120550750 524906999 /nfs/dbraw/zinc/90/69/99/524906999.db2.gz FQABKOGIVXBROX-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174465793 534838312 /nfs/dbraw/zinc/83/83/12/534838312.db2.gz RHNZIZIHBWZEQO-LBPRGKRZSA-N 1 0 336.779 2.726 20 5 EFBDRO C[S@](=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183131042 525386076 /nfs/dbraw/zinc/38/60/76/525386076.db2.gz HNJSKUFDXQXAKN-OSPHWJPCSA-N 1 0 348.424 2.683 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176746774 525703662 /nfs/dbraw/zinc/70/36/62/525703662.db2.gz XUGKALQVFKTYCR-ZBFHGGJFSA-N 1 0 346.431 2.844 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608753 525851514 /nfs/dbraw/zinc/85/15/14/525851514.db2.gz OIELXAWLXOISLZ-QWHCGFSZSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000155460320 525854673 /nfs/dbraw/zinc/85/46/73/525854673.db2.gz XEJJTLQDEIPKTQ-JJRVBVJISA-N 1 0 347.415 2.731 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000192608794 525855327 /nfs/dbraw/zinc/85/53/27/525855327.db2.gz OIELXAWLXOISLZ-OLZOCXBDSA-N 1 0 328.372 2.976 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263041219 525864273 /nfs/dbraw/zinc/86/42/73/525864273.db2.gz SVNMFBMFECNRGF-SWLSCSKDSA-N 1 0 325.796 2.772 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccnc1 ZINC000182883403 526078346 /nfs/dbraw/zinc/07/83/46/526078346.db2.gz PYESDUGSKSYHNQ-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120467891 526078912 /nfs/dbraw/zinc/07/89/12/526078912.db2.gz OUTQSAMCGSUYNA-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262547350 534909780 /nfs/dbraw/zinc/90/97/80/534909780.db2.gz WAROOTKEDPFRCW-NSHDSACASA-N 1 0 325.434 2.810 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000058296082 526246357 /nfs/dbraw/zinc/24/63/57/526246357.db2.gz XHDYJWFJYDUBBS-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000177077811 526267036 /nfs/dbraw/zinc/26/70/36/526267036.db2.gz XYUKYFRDLHNQBR-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO O=C(CC[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000189137525 526482232 /nfs/dbraw/zinc/48/22/32/526482232.db2.gz MRCGSVNKTFKSCS-QGZVFWFLSA-N 1 0 347.415 2.814 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193860481 526486092 /nfs/dbraw/zinc/48/60/92/526486092.db2.gz YFBOJOQBZGMOBM-ZDUSSCGKSA-N 1 0 343.387 2.526 20 5 EFBDRO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000139765878 526490079 /nfs/dbraw/zinc/49/00/79/526490079.db2.gz VZPGJMKOKAZGRW-UHFFFAOYSA-N 1 0 333.388 2.568 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000087322347 526603440 /nfs/dbraw/zinc/60/34/40/526603440.db2.gz ZVZSHUKDKFDMBC-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000193771799 526614590 /nfs/dbraw/zinc/61/45/90/526614590.db2.gz YGCPWQKOOJEVCH-MRXNPFEDSA-N 1 0 339.395 2.847 20 5 EFBDRO Cc1sc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081293073 526874159 /nfs/dbraw/zinc/87/41/59/526874159.db2.gz GTJBOVVVRZVSHH-CYBMUJFWSA-N 1 0 337.445 2.959 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000152020374 527247546 /nfs/dbraw/zinc/24/75/46/527247546.db2.gz GYOFQCBWDMDUMR-INIZCTEOSA-N 1 0 349.406 2.753 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000157960351 527248307 /nfs/dbraw/zinc/24/83/07/527248307.db2.gz OPZGUPKSZIACFH-HNNXBMFYSA-N 1 0 349.406 2.657 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(CCOC4)C3)co2)cc1 ZINC000089909466 527342233 /nfs/dbraw/zinc/34/22/33/527342233.db2.gz JRONIUIOXBOYQY-KRWDZBQOSA-N 1 0 329.356 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177961819 527371148 /nfs/dbraw/zinc/37/11/48/527371148.db2.gz UVRLROIBNTVIRL-FRQCXROJSA-N 1 0 345.443 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177961834 527371491 /nfs/dbraw/zinc/37/14/91/527371491.db2.gz UVRLROIBNTVIRL-FCEWJHQRSA-N 1 0 345.443 2.780 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)n2)c1 ZINC000152764444 527382779 /nfs/dbraw/zinc/38/27/79/527382779.db2.gz MWQAYZGNDYWNML-UKRRQHHQSA-N 1 0 344.371 2.646 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000120160466 527413784 /nfs/dbraw/zinc/41/37/84/527413784.db2.gz AVHCGXRZWFDJKV-OAHLLOKOSA-N 1 0 336.779 2.598 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128282810 527627025 /nfs/dbraw/zinc/62/70/25/527627025.db2.gz LTZINMHUHMBHMX-MOEXGYKKSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000237687750 527677408 /nfs/dbraw/zinc/67/74/08/527677408.db2.gz XKTCYGYNBALXIF-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO Cc1nn(C)c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192958254 527678871 /nfs/dbraw/zinc/67/88/71/527678871.db2.gz GNJDVHGTSMLYQY-HNNXBMFYSA-N 1 0 329.404 2.571 20 5 EFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000155481177 527686065 /nfs/dbraw/zinc/68/60/65/527686065.db2.gz FRJDVTKOLKRULN-UHFFFAOYSA-N 1 0 337.420 2.504 20 5 EFBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000184280245 527711011 /nfs/dbraw/zinc/71/10/11/527711011.db2.gz AZPOHLCCIUNNEX-UHFFFAOYSA-N 1 0 344.371 2.582 20 5 EFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000154461097 527800979 /nfs/dbraw/zinc/80/09/79/527800979.db2.gz PMLNESPOTYQMPL-GVDBMIGSSA-N 1 0 334.416 2.908 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000174666665 527975487 /nfs/dbraw/zinc/97/54/87/527975487.db2.gz GYYPJOWIASKEAI-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000158326844 528021667 /nfs/dbraw/zinc/02/16/67/528021667.db2.gz KTHWCFSHYSYZAT-GJZGRUSLSA-N 1 0 348.447 2.933 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000187042263 528098281 /nfs/dbraw/zinc/09/82/81/528098281.db2.gz XGSANIMJTKYWJF-CVEARBPZSA-N 1 0 349.431 2.767 20 5 EFBDRO CCO[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000154460999 528130302 /nfs/dbraw/zinc/13/03/02/528130302.db2.gz PMLNESPOTYQMPL-ULQDDVLXSA-N 1 0 334.416 2.908 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173844583 528258573 /nfs/dbraw/zinc/25/85/73/528258573.db2.gz ZXHJZNUBVHOSGD-MRXNPFEDSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000174122909 528287636 /nfs/dbraw/zinc/28/76/36/528287636.db2.gz AYPBVKDBDRMDKB-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO CC(C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000180926220 528459682 /nfs/dbraw/zinc/45/96/82/528459682.db2.gz NGYAQAITUQNQFO-MRXNPFEDSA-N 1 0 348.447 2.663 20 5 EFBDRO CC(C)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174663888 528571843 /nfs/dbraw/zinc/57/18/43/528571843.db2.gz PWAQCZOZUKITNQ-SJORKVTESA-N 1 0 332.404 2.529 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OCC ZINC000181385236 528595002 /nfs/dbraw/zinc/59/50/02/528595002.db2.gz FCJTYIUSJVUEMV-CYBMUJFWSA-N 1 0 348.403 2.940 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174133651 528960354 /nfs/dbraw/zinc/96/03/54/528960354.db2.gz RWVJKXNMHOPTGQ-VMPITWQZSA-N 1 0 331.416 2.846 20 5 EFBDRO CC1(C)CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000183438911 529077554 /nfs/dbraw/zinc/07/75/54/529077554.db2.gz QWIBHDILJIIJLU-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)cc1 ZINC000181807525 529172022 /nfs/dbraw/zinc/17/20/22/529172022.db2.gz WIWPARORZCJQSW-MRXNPFEDSA-N 1 0 331.372 2.506 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236810201 534938652 /nfs/dbraw/zinc/93/86/52/534938652.db2.gz CITJYKOENPOWRX-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000412258320 534943476 /nfs/dbraw/zinc/94/34/76/534943476.db2.gz OOENWSKKTDTTHC-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412252833 534952155 /nfs/dbraw/zinc/95/21/55/534952155.db2.gz XDLHPOLAYQSPOP-OCCSQVGLSA-N 1 0 335.404 2.595 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000421896894 534977683 /nfs/dbraw/zinc/97/76/83/534977683.db2.gz ZYJDWGFKIQYIHW-PBHICJAKSA-N 1 0 345.443 2.764 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418584280 535094387 /nfs/dbraw/zinc/09/43/87/535094387.db2.gz OEVMNWUBPQFMOE-GJZGRUSLSA-N 1 0 334.420 2.785 20 5 EFBDRO CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000358255181 535128143 /nfs/dbraw/zinc/12/81/43/535128143.db2.gz BPAMMPBIRAZBIX-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230689297 535181162 /nfs/dbraw/zinc/18/11/62/535181162.db2.gz DNNYOXCUHXLCOT-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000342568230 535245087 /nfs/dbraw/zinc/24/50/87/535245087.db2.gz NTHDBSHTAHEQQO-NSHDSACASA-N 1 0 326.372 2.976 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000232992678 535299386 /nfs/dbraw/zinc/29/93/86/535299386.db2.gz LSECWRPUEDIDII-NSHDSACASA-N 1 0 343.225 2.942 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236692861 535330886 /nfs/dbraw/zinc/33/08/86/535330886.db2.gz AJCSHSOKUNRYAM-MLGOLLRUSA-N 1 0 339.461 2.955 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000266121936 535410552 /nfs/dbraw/zinc/41/05/52/535410552.db2.gz AFXOHIBYAPQZJR-HZPDHXFCSA-N 1 0 348.399 2.899 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417124953 535454600 /nfs/dbraw/zinc/45/46/00/535454600.db2.gz AMSNZRXHIMBXCC-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417124951 535455444 /nfs/dbraw/zinc/45/54/44/535455444.db2.gz AMSNZRXHIMBXCC-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919500 535485908 /nfs/dbraw/zinc/48/59/08/535485908.db2.gz HUKOVUWWFMOXTH-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951288 535549755 /nfs/dbraw/zinc/54/97/55/535549755.db2.gz POQSBAVIRUVNCK-CYBMUJFWSA-N 1 0 342.827 2.580 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266120822 535760477 /nfs/dbraw/zinc/76/04/77/535760477.db2.gz IVAMMWWHWFLUMD-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246360075 535873391 /nfs/dbraw/zinc/87/33/91/535873391.db2.gz PSLYXEPUIJSWMM-FRFSOERESA-N 1 0 346.431 2.924 20 5 EFBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000356586892 535913457 /nfs/dbraw/zinc/91/34/57/535913457.db2.gz FBOGNAQDFVNDKX-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000360206516 535953368 /nfs/dbraw/zinc/95/33/68/535953368.db2.gz AMSWDOWLVZYANA-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000061 535997939 /nfs/dbraw/zinc/99/79/39/535997939.db2.gz IXIUTUYNRVNCPC-GJZGRUSLSA-N 1 0 346.387 2.770 20 5 EFBDRO CCc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000357243829 536165527 /nfs/dbraw/zinc/16/55/27/536165527.db2.gz RGWQBZOIQNPJBL-KRWDZBQOSA-N 1 0 339.395 2.774 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000350785759 536181153 /nfs/dbraw/zinc/18/11/53/536181153.db2.gz XMOUXXKPAGICSU-INIZCTEOSA-N 1 0 333.432 2.637 20 5 EFBDRO C[N@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000264143544 536376947 /nfs/dbraw/zinc/37/69/47/536376947.db2.gz GPGPOQFJFPQTAM-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1C ZINC000344612929 536492736 /nfs/dbraw/zinc/49/27/36/536492736.db2.gz KELQFEKDFYCTNK-MRXNPFEDSA-N 1 0 349.431 2.762 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342562368 536743199 /nfs/dbraw/zinc/74/31/99/536743199.db2.gz BZCMZAJSCQPYKI-LSDHHAIUSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1[N+](=O)[O-] ZINC000351970595 536757775 /nfs/dbraw/zinc/75/77/75/536757775.db2.gz FTKNLELUFHKESO-AWEZNQCLSA-N 1 0 330.388 2.717 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419371444 536761378 /nfs/dbraw/zinc/76/13/78/536761378.db2.gz KTDKPBCDHRLTIB-RWMBFGLXSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC([NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000435379996 536896376 /nfs/dbraw/zinc/89/63/76/536896376.db2.gz OVWZTTTVAAALFK-UHFFFAOYSA-N 1 0 331.372 2.787 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000414884350 536944409 /nfs/dbraw/zinc/94/44/09/536944409.db2.gz NSJZFTAZJOWBDE-HZPDHXFCSA-N 1 0 347.440 2.900 20 5 EFBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000673529834 547911019 /nfs/dbraw/zinc/91/10/19/547911019.db2.gz DHPBRNDDKQAMEZ-MRXNPFEDSA-N 1 0 349.434 2.575 20 5 EFBDRO Cc1cccc(OCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754251597 575410681 /nfs/dbraw/zinc/41/06/81/575410681.db2.gz WBAQJAPDJZMTNC-SFHVURJKSA-N 1 0 330.384 2.995 20 5 EFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000754251502 575410716 /nfs/dbraw/zinc/41/07/16/575410716.db2.gz URJRXMYTNHZHJM-QGZVFWFLSA-N 1 0 330.384 2.914 20 5 EFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250703 575410781 /nfs/dbraw/zinc/41/07/81/575410781.db2.gz MPKGXXSGQKTQIW-GOSISDBHSA-N 1 0 330.384 2.914 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754361533 575424709 /nfs/dbraw/zinc/42/47/09/575424709.db2.gz IIARBAJHFDRCQG-ABAIWWIYSA-N 1 0 325.384 2.540 20 5 EFBDRO COC(=O)C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000754529543 575447880 /nfs/dbraw/zinc/44/78/80/575447880.db2.gz XZJSZTDBVJVURT-HNNXBMFYSA-N 1 0 345.355 2.681 20 5 EFBDRO COCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000754547523 575450430 /nfs/dbraw/zinc/45/04/30/575450430.db2.gz WGPFKAHBNULHCG-HZPDHXFCSA-N 1 0 334.372 2.897 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000754568703 575453996 /nfs/dbraw/zinc/45/39/96/575453996.db2.gz ODHPGRCGXUJHQR-GHMZBOCLSA-N 1 0 341.795 2.591 20 5 EFBDRO C[C@@H]1C[N@@H+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000754614913 575461705 /nfs/dbraw/zinc/46/17/05/575461705.db2.gz RHKXRVPZSWJFDD-OKILXGFUSA-N 1 0 347.419 2.544 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1csc2ccccc21 ZINC000754734304 575480209 /nfs/dbraw/zinc/48/02/09/575480209.db2.gz QWYCNSORNDABMR-DGCLKSJQSA-N 1 0 346.412 2.718 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000754782042 575489017 /nfs/dbraw/zinc/48/90/17/575489017.db2.gz HTHJSSWMKZDIIY-OAHLLOKOSA-N 1 0 344.415 2.959 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000754795981 575492582 /nfs/dbraw/zinc/49/25/82/575492582.db2.gz KPJREGYZEXPPNJ-OAHLLOKOSA-N 1 0 330.388 2.651 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000755394817 575582217 /nfs/dbraw/zinc/58/22/17/575582217.db2.gz MYUUXSIRWHVKIM-CQSZACIVSA-N 1 0 348.472 2.955 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000756950060 575804378 /nfs/dbraw/zinc/80/43/78/575804378.db2.gz ASWNUONJCRJWID-PWSUYJOCSA-N 1 0 340.811 2.530 20 5 EFBDRO Cc1cc(F)cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000758488411 575870816 /nfs/dbraw/zinc/87/08/16/575870816.db2.gz OZVFFJUKTKCMAZ-UHFFFAOYSA-N 1 0 341.302 2.875 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758504605 575871091 /nfs/dbraw/zinc/87/10/91/575871091.db2.gz KKKHPYAXFOYDFA-CYBMUJFWSA-N 1 0 337.395 2.846 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)(C)C[NH+](C)C ZINC000759238182 575887476 /nfs/dbraw/zinc/88/74/76/575887476.db2.gz TZJCTKSEMZQXDU-LBPRGKRZSA-N 1 0 348.447 2.875 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000760576867 576049066 /nfs/dbraw/zinc/04/90/66/576049066.db2.gz MXSVBVULXIPAGJ-AAEUAGOBSA-N 1 0 347.387 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000760892875 576085937 /nfs/dbraw/zinc/08/59/37/576085937.db2.gz OLTQTTQBGJTVFY-UHFFFAOYSA-N 1 0 332.791 2.965 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000761050502 576104924 /nfs/dbraw/zinc/10/49/24/576104924.db2.gz KNTJLQOGEWKPKN-JTQLQIEISA-N 1 0 331.294 2.808 20 5 EFBDRO Cc1nn(CN2CCC[N@@H+](C(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289338 576140718 /nfs/dbraw/zinc/14/07/18/576140718.db2.gz GCKXURJIGFMPML-UHFFFAOYSA-N 1 0 331.420 2.627 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761525433 576174403 /nfs/dbraw/zinc/17/44/03/576174403.db2.gz JZZPKGXIFCFKDW-NWDGAFQWSA-N 1 0 346.836 2.694 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000763769141 576397268 /nfs/dbraw/zinc/39/72/68/576397268.db2.gz HFTOSLDZDYKESG-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000764315978 576448089 /nfs/dbraw/zinc/44/80/89/576448089.db2.gz SAVBVEOKUROBPA-CQSZACIVSA-N 1 0 342.399 2.881 20 5 EFBDRO Cc1c(CONC(=[NH2+])[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000764573759 576473785 /nfs/dbraw/zinc/47/37/85/576473785.db2.gz FSNNRTKVKNPLSA-MRXNPFEDSA-N 1 0 343.339 2.742 20 5 EFBDRO Cc1nn(C[NH+]2CCC(n3ccnc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765012291 576536354 /nfs/dbraw/zinc/53/63/54/576536354.db2.gz FPTAGPAZBSHXEZ-UHFFFAOYSA-N 1 0 340.387 2.744 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039158 576539608 /nfs/dbraw/zinc/53/96/08/576539608.db2.gz PRTBNKHFKTWEJE-HNNXBMFYSA-N 1 0 345.447 2.874 20 5 EFBDRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102408 577007107 /nfs/dbraw/zinc/00/71/07/577007107.db2.gz DYWHEPMEIVJOMY-PBHICJAKSA-N 1 0 343.431 2.627 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765289190 577027789 /nfs/dbraw/zinc/02/77/89/577027789.db2.gz MVKIVDOEWIVNJT-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000765576803 577055724 /nfs/dbraw/zinc/05/57/24/577055724.db2.gz RZGURCXGBAZHJY-UHFFFAOYSA-N 1 0 329.404 2.697 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000765802049 577078732 /nfs/dbraw/zinc/07/87/32/577078732.db2.gz YAIOEQQVDLBAAD-GFCCVEGCSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000765979710 577094718 /nfs/dbraw/zinc/09/47/18/577094718.db2.gz WZUHSRRFKHXUEA-RDTXWAMCSA-N 1 0 333.432 2.889 20 5 EFBDRO CCC[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766429602 577149242 /nfs/dbraw/zinc/14/92/42/577149242.db2.gz OECXYUUUYCFARH-CYBMUJFWSA-N 1 0 325.384 2.671 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000766536011 577163007 /nfs/dbraw/zinc/16/30/07/577163007.db2.gz OMLCAQIMBWIXCV-IRXDYDNUSA-N 1 0 333.432 2.967 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583948 577168882 /nfs/dbraw/zinc/16/88/82/577168882.db2.gz LQTFDWBEKUQLHU-KUHUBIRLSA-N 1 0 344.459 2.636 20 5 EFBDRO COc1cc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000766928182 577188435 /nfs/dbraw/zinc/18/84/35/577188435.db2.gz RSLLMIMQBVFFEA-CYBMUJFWSA-N 1 0 335.360 2.920 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946882 577189280 /nfs/dbraw/zinc/18/92/80/577189280.db2.gz PQWDHPHWZJNKBU-SIIHOXLZSA-N 1 0 344.415 2.977 20 5 EFBDRO CC[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000769382654 577357299 /nfs/dbraw/zinc/35/72/99/577357299.db2.gz ZVNCUHVLACZSPL-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+](CCCCO)CC2)cc1[N+](=O)[O-] ZINC000769395863 577358511 /nfs/dbraw/zinc/35/85/11/577358511.db2.gz QQHDJYRTGMYSLE-UHFFFAOYSA-N 1 0 335.448 2.608 20 5 EFBDRO C[C@@H]([N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000726584211 577374208 /nfs/dbraw/zinc/37/42/08/577374208.db2.gz CABCYGFMEMTKRD-GFCCVEGCSA-N 1 0 348.403 2.687 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769710620 577380328 /nfs/dbraw/zinc/38/03/28/577380328.db2.gz NHUAVHIIXZJIBN-CYBMUJFWSA-N 1 0 348.447 2.807 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770099893 577402013 /nfs/dbraw/zinc/40/20/13/577402013.db2.gz LLVSWYFAYAQYGL-DGCLKSJQSA-N 1 0 325.796 2.832 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC[NH+]1CCCCC1 ZINC000770361959 577412896 /nfs/dbraw/zinc/41/28/96/577412896.db2.gz MKNJCGZNZJZXSD-UHFFFAOYSA-N 1 0 331.372 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752890 581133631 /nfs/dbraw/zinc/13/36/31/581133631.db2.gz WKODOXSZASYMCP-HIFRSBDPSA-N 1 0 326.780 2.676 20 5 EFBDRO COc1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000771969591 581265840 /nfs/dbraw/zinc/26/58/40/581265840.db2.gz HPCSJKVUDVFYSF-CQSZACIVSA-N 1 0 335.404 2.659 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000773064854 581392671 /nfs/dbraw/zinc/39/26/71/581392671.db2.gz IQFLWUZKARRUJK-QGZVFWFLSA-N 1 0 341.415 2.954 20 5 EFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773069049 581393388 /nfs/dbraw/zinc/39/33/88/581393388.db2.gz QEQJXTMVYHQFFY-MRXNPFEDSA-N 1 0 340.445 2.850 20 5 EFBDRO COCC1(C)CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000773268226 581412082 /nfs/dbraw/zinc/41/20/82/581412082.db2.gz KGUUGUQUUDKRSJ-UHFFFAOYSA-N 1 0 332.404 2.959 20 5 EFBDRO CC[N@H+](CCC1CCN(Cn2nccc2[N+](=O)[O-])CC1)CC(C)C ZINC000773272585 581412973 /nfs/dbraw/zinc/41/29/73/581412973.db2.gz SEIBNBNBEIEVOJ-UHFFFAOYSA-N 1 0 337.468 2.829 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2ccc(F)cc2)n1 ZINC000774115886 581484122 /nfs/dbraw/zinc/48/41/22/581484122.db2.gz KURBOBFWQXPMTJ-ARFHVFGLSA-N 1 0 348.378 2.737 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000774132366 581484761 /nfs/dbraw/zinc/48/47/61/581484761.db2.gz AETSHFDAMNHKNY-PMPSAXMXSA-N 1 0 335.452 2.739 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2ccccc2F)n1 ZINC000774136088 581485061 /nfs/dbraw/zinc/48/50/61/581485061.db2.gz XMYUJJVELUDKJU-ARFHVFGLSA-N 1 0 348.378 2.737 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774167428 581486300 /nfs/dbraw/zinc/48/63/00/581486300.db2.gz CZZSTJGTEVFNBY-BBRMVZONSA-N 1 0 333.388 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNc1ncccn1)CCC2 ZINC000774220724 581487446 /nfs/dbraw/zinc/48/74/46/581487446.db2.gz ZRWWFZGSAJPLLY-INIZCTEOSA-N 1 0 327.388 2.854 20 5 EFBDRO Cc1ncc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000774266935 581488448 /nfs/dbraw/zinc/48/84/48/581488448.db2.gz SRNQBNKTVBYAFU-KGLIPLIRSA-N 1 0 335.433 2.872 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@@H]([NH+]4CC=CC4)C3)c2c(Cl)c1 ZINC000774636116 581495986 /nfs/dbraw/zinc/49/59/86/581495986.db2.gz LJHTVQZKNJTOEI-CYBMUJFWSA-N 1 0 347.806 2.502 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000742380463 581505812 /nfs/dbraw/zinc/50/58/12/581505812.db2.gz MOYBRUXDGAAOJV-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820427229 599381861 /nfs/dbraw/zinc/38/18/61/599381861.db2.gz QLUPQAAUFNQXLN-LBPRGKRZSA-N 1 0 338.371 2.668 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000700211076 1250178510 /nfs/dbraw/zinc/17/85/10/1250178510.db2.gz PBHNCAQVPDHADE-SECBINFHSA-N 1 0 328.210 2.921 20 5 EFBDRO Cn1c2ccccc2c(NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000823777998 1265429023 /nfs/dbraw/zinc/42/90/23/1265429023.db2.gz XXULVMIWZMMVEC-CYBMUJFWSA-N 1 0 344.415 2.591 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000850395923 1250465821 /nfs/dbraw/zinc/46/58/21/1250465821.db2.gz FDOKJIZEQZIEGW-LLVKDONJSA-N 1 0 339.823 2.985 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@]1(O)CCCOC1 ZINC000850400920 1250466573 /nfs/dbraw/zinc/46/65/73/1250466573.db2.gz QLTRDJPEZMZKOU-INIZCTEOSA-N 1 0 342.823 2.906 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000850430725 1250482527 /nfs/dbraw/zinc/48/25/27/1250482527.db2.gz UDVSIKANEGGXEV-LLVKDONJSA-N 1 0 339.392 2.779 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433463 1250484424 /nfs/dbraw/zinc/48/44/24/1250484424.db2.gz JQQVLZFZVFEDQD-SJCJKPOMSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000850468508 1250495983 /nfs/dbraw/zinc/49/59/83/1250495983.db2.gz HYMFDEXNXYOTHT-GEWABHDNSA-N 1 0 344.367 2.749 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1SCCS1 ZINC000850562091 1250534942 /nfs/dbraw/zinc/53/49/42/1250534942.db2.gz QGPQUTXMNAOVRF-JTQLQIEISA-N 1 0 341.458 2.708 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1SCCS1 ZINC000850561848 1250535038 /nfs/dbraw/zinc/53/50/38/1250535038.db2.gz PMEJGSUVHWDCTJ-SNVBAGLBSA-N 1 0 341.458 2.708 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850574620 1250543383 /nfs/dbraw/zinc/54/33/83/1250543383.db2.gz ZVLZFWAFTCUXTO-VBHSOAQHSA-N 1 0 329.400 2.992 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000850721420 1250577968 /nfs/dbraw/zinc/57/79/68/1250577968.db2.gz QQMYCLYQWBRPID-CQSZACIVSA-N 1 0 349.406 2.894 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850720630 1250578414 /nfs/dbraw/zinc/57/84/14/1250578414.db2.gz GBNNNIAXHFISQO-AFCDSYGPSA-N 1 0 343.427 2.846 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465534 1251021800 /nfs/dbraw/zinc/02/18/00/1251021800.db2.gz JINBAXMZMIRKGU-QGZVFWFLSA-N 1 0 340.379 2.955 20 5 EFBDRO C[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000851646753 1251169362 /nfs/dbraw/zinc/16/93/62/1251169362.db2.gz KCXSJQKWTJBLIL-VLSASAQSSA-N 1 0 331.416 2.974 20 5 EFBDRO C[NH2+]CCN(Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000720775113 1251380649 /nfs/dbraw/zinc/38/06/49/1251380649.db2.gz QRBDQCWRQFLKRD-UHFFFAOYSA-N 1 0 330.226 2.787 20 5 EFBDRO Cc1oc(C(C)C)nc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127168553 1251942792 /nfs/dbraw/zinc/94/27/92/1251942792.db2.gz PWIQJJKCCQPLKY-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO C[N@H+](CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001107513939 1256021336 /nfs/dbraw/zinc/02/13/36/1256021336.db2.gz QIFALSXZOBIUJN-BQYQJAHWSA-N 1 0 348.447 2.657 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004135933 1266015110 /nfs/dbraw/zinc/01/51/10/1266015110.db2.gz HPFVHUSDQMIHKY-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC1(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CCC1 ZINC000996876461 1256302179 /nfs/dbraw/zinc/30/21/79/1256302179.db2.gz AHJBDYOBXFEXOV-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO CC(F)(F)CC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996978067 1256598987 /nfs/dbraw/zinc/59/89/87/1256598987.db2.gz KAHYCIOKZZOBOV-UHFFFAOYSA-N 1 0 347.387 2.782 20 5 EFBDRO CC(F)(F)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996976932 1256615452 /nfs/dbraw/zinc/61/54/52/1256615452.db2.gz IEFKNCYRGFHTQQ-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO O=C(C1CC2(CC2)C1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996992702 1256632504 /nfs/dbraw/zinc/63/25/04/1256632504.db2.gz XGADXDFGVQIABR-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2occc2c1 ZINC001127887125 1256955080 /nfs/dbraw/zinc/95/50/80/1256955080.db2.gz RSTSHRLDQYSYFB-UHFFFAOYSA-N 1 0 339.351 2.861 20 5 EFBDRO O=C(Cc1ccco1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997115688 1256955236 /nfs/dbraw/zinc/95/52/36/1256955236.db2.gz GPYAGXPGEMONDM-UHFFFAOYSA-N 1 0 349.412 2.573 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997301652 1257340866 /nfs/dbraw/zinc/34/08/66/1257340866.db2.gz FSQBLJCKLYXVOT-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(C)CC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997486438 1257768818 /nfs/dbraw/zinc/76/88/18/1257768818.db2.gz DEZDGZDJVXVUMO-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997663880 1258190906 /nfs/dbraw/zinc/19/09/06/1258190906.db2.gz OZFXMRIACPOBCG-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997665126 1258194352 /nfs/dbraw/zinc/19/43/52/1258194352.db2.gz YKJZCLISSRMFAW-KGVSQERTSA-N 1 0 337.445 2.951 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054525 1258300480 /nfs/dbraw/zinc/30/04/80/1258300480.db2.gz QNOIQKGKFZGTGU-MNOVXSKESA-N 1 0 340.221 2.684 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001168597117 1258405940 /nfs/dbraw/zinc/40/59/40/1258405940.db2.gz UQGLNPRYYKBTMW-JSGCOSHPSA-N 1 0 333.367 2.962 20 5 EFBDRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922538624 1266219444 /nfs/dbraw/zinc/21/94/44/1266219444.db2.gz SUELRHIJQIHZIR-CQSZACIVSA-N 1 0 344.415 2.923 20 5 EFBDRO CCC[N@H+](C)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089950846 1261134751 /nfs/dbraw/zinc/13/47/51/1261134751.db2.gz QZMBNLFKEOWGIB-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000923376443 1261576627 /nfs/dbraw/zinc/57/66/27/1261576627.db2.gz XNMHLSSGXROIFU-ZYHUDNBSSA-N 1 0 342.237 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923381656 1261580005 /nfs/dbraw/zinc/58/00/05/1261580005.db2.gz VOBVEZGYQFJDEE-CQSZACIVSA-N 1 0 340.221 2.685 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923397740 1261605142 /nfs/dbraw/zinc/60/51/42/1261605142.db2.gz GFUYTENTTBRXIM-SMDDNHRTSA-N 1 0 340.221 2.671 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3COC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000922642914 1266504637 /nfs/dbraw/zinc/50/46/37/1266504637.db2.gz IVTWYUUPLFIYNF-NHYWBVRUSA-N 1 0 332.356 2.988 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000922642915 1266505097 /nfs/dbraw/zinc/50/50/97/1266505097.db2.gz IVTWYUUPLFIYNF-XHDPSFHLSA-N 1 0 332.356 2.988 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164460360 1263077079 /nfs/dbraw/zinc/07/70/79/1263077079.db2.gz BUKRNQZPEQCWDK-DTWKUNHWSA-N 1 0 334.754 2.752 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165140176 1263279132 /nfs/dbraw/zinc/27/91/32/1263279132.db2.gz IUDVMRFPEPQPEL-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC001128290402 1264156200 /nfs/dbraw/zinc/15/62/00/1264156200.db2.gz UGABXBMAJXKRMD-UHFFFAOYSA-N 1 0 339.442 2.854 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000821746069 1264997257 /nfs/dbraw/zinc/99/72/57/1264997257.db2.gz RPCXUDBFIGWGCN-UHFFFAOYSA-N 1 0 343.786 2.990 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000822362637 1265080149 /nfs/dbraw/zinc/08/01/49/1265080149.db2.gz ONLDNYGZIZRKAG-WCBMZHEXSA-N 1 0 329.759 2.600 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000822362636 1265081170 /nfs/dbraw/zinc/08/11/70/1265081170.db2.gz ONLDNYGZIZRKAG-SCZZXKLOSA-N 1 0 329.759 2.600 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(-n2nc(-c3ccccc3)nc2CC[NH3+])c1F ZINC001168716960 1265125922 /nfs/dbraw/zinc/12/59/22/1265125922.db2.gz JCXAMMGOUJFPQD-UHFFFAOYSA-N 1 0 341.346 2.791 20 5 EFBDRO COc1cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000824765671 1278270360 /nfs/dbraw/zinc/27/03/60/1278270360.db2.gz OMVNBBMWCAWFID-GFCCVEGCSA-N 1 0 335.187 2.983 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824773238 1278276656 /nfs/dbraw/zinc/27/66/56/1278276656.db2.gz MRNPDANHFWMGRQ-LLVKDONJSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000734796135 1267114789 /nfs/dbraw/zinc/11/47/89/1267114789.db2.gz PWMFHWQCLFSRSG-CQSZACIVSA-N 1 0 325.384 2.830 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000735084634 1267199934 /nfs/dbraw/zinc/19/99/34/1267199934.db2.gz MQIGODNVHLXNKL-XMMPIXPASA-N 1 0 347.440 2.831 20 5 EFBDRO CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](CC)CC ZINC000791936908 1278442665 /nfs/dbraw/zinc/44/26/65/1278442665.db2.gz CKLVGJRELWAXSR-ZDUSSCGKSA-N 1 0 339.348 2.667 20 5 EFBDRO CC(C)OCCC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740860073 1269137533 /nfs/dbraw/zinc/13/75/33/1269137533.db2.gz XJLQDKIHZRMSMO-UHFFFAOYSA-N 1 0 333.392 2.558 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000008169806 1269216141 /nfs/dbraw/zinc/21/61/41/1269216141.db2.gz XOAVQRSVSHIFHY-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000741028800 1269262677 /nfs/dbraw/zinc/26/26/77/1269262677.db2.gz JALIJWMMMIJQRD-CQSZACIVSA-N 1 0 336.388 2.781 20 5 EFBDRO CN(CCOC[C@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741244848 1269427787 /nfs/dbraw/zinc/42/77/87/1269427787.db2.gz KMMNJPXSJASVNF-CQSZACIVSA-N 1 0 328.796 2.876 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c2nonc21 ZINC000737421102 1269438725 /nfs/dbraw/zinc/43/87/25/1269438725.db2.gz PYHQPIOSGFTURY-UHFFFAOYSA-N 1 0 331.376 2.586 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC001086010029 1269506248 /nfs/dbraw/zinc/50/62/48/1269506248.db2.gz JUBYWPJWRVKXKX-FZNQNYSPSA-N 1 0 331.416 2.769 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741752265 1269686947 /nfs/dbraw/zinc/68/69/47/1269686947.db2.gz NXANQBSHHCIMFO-GXSJLCMTSA-N 1 0 326.784 2.852 20 5 EFBDRO COC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742148791 1269913438 /nfs/dbraw/zinc/91/34/38/1269913438.db2.gz CWMQKRUZFOFRSE-UHFFFAOYSA-N 1 0 345.403 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000742392393 1270020657 /nfs/dbraw/zinc/02/06/57/1270020657.db2.gz KABGISSKUCEAHD-OAHLLOKOSA-N 1 0 335.404 2.659 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825408528 1278540065 /nfs/dbraw/zinc/54/00/65/1278540065.db2.gz BKWAVGHYSFBREK-WBAXXEDZSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086169510 1270320251 /nfs/dbraw/zinc/32/02/51/1270320251.db2.gz QQUGTQCUUCNTRJ-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000825503744 1278574084 /nfs/dbraw/zinc/57/40/84/1278574084.db2.gz GHDDLRLMEJCYGG-CQSZACIVSA-N 1 0 325.796 2.627 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843862644 1278615870 /nfs/dbraw/zinc/61/58/70/1278615870.db2.gz FUANYHUFYHQVTQ-UHFFFAOYSA-N 1 0 337.395 2.990 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086448714 1271525418 /nfs/dbraw/zinc/52/54/18/1271525418.db2.gz RVGXZECIWNXLIY-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000843895265 1278639656 /nfs/dbraw/zinc/63/96/56/1278639656.db2.gz OYRIMUQLJZUHJX-QGZVFWFLSA-N 1 0 335.379 2.600 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000843895264 1278641026 /nfs/dbraw/zinc/64/10/26/1278641026.db2.gz OYRIMUQLJZUHJX-KRWDZBQOSA-N 1 0 335.379 2.600 20 5 EFBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000745983607 1271709037 /nfs/dbraw/zinc/70/90/37/1271709037.db2.gz YTBYOWYHADNNDM-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+]1CCC(C)CC1 ZINC000746306843 1271973714 /nfs/dbraw/zinc/97/37/14/1271973714.db2.gz WLBWIBLVBUHEAQ-KRWDZBQOSA-N 1 0 348.447 2.663 20 5 EFBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2C1 ZINC001168815457 1272420940 /nfs/dbraw/zinc/42/09/40/1272420940.db2.gz GLRLZTRGVWHNEO-SECBINFHSA-N 1 0 326.278 2.615 20 5 EFBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168976266 1272545498 /nfs/dbraw/zinc/54/54/98/1272545498.db2.gz CDYPMNVSXKOWPX-MFKMUULPSA-N 1 0 330.306 2.923 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)C1 ZINC001168983358 1272552401 /nfs/dbraw/zinc/55/24/01/1272552401.db2.gz JQVIDOKFPVUPCT-QRVBRYPASA-N 1 0 331.460 2.729 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)C1 ZINC001168983357 1272552621 /nfs/dbraw/zinc/55/26/21/1272552621.db2.gz JQVIDOKFPVUPCT-OTWHNJEPSA-N 1 0 331.460 2.729 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001168965142 1272557761 /nfs/dbraw/zinc/55/77/61/1272557761.db2.gz YIKISMZSTKWYSW-YPMHNXCESA-N 1 0 343.221 2.863 20 5 EFBDRO CC(C)(C)OC(=O)NCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963626 1272557937 /nfs/dbraw/zinc/55/79/37/1272557937.db2.gz PGESYTDFDMYIOM-KBPBESRZSA-N 1 0 329.441 2.716 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC001168964972 1272558353 /nfs/dbraw/zinc/55/83/53/1272558353.db2.gz WXFBPSKIOIWUAP-SWHYSGLUSA-N 1 0 343.221 2.518 20 5 EFBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963921 1272558454 /nfs/dbraw/zinc/55/84/54/1272558454.db2.gz QNPMODFAWSAQSM-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967517 1272559052 /nfs/dbraw/zinc/55/90/52/1272559052.db2.gz QIANFVRWSGOTMR-AEFFLSMTSA-N 1 0 347.459 2.695 20 5 EFBDRO COc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965522 1272559239 /nfs/dbraw/zinc/55/92/39/1272559239.db2.gz AJUWFPVCPJNZIQ-MAUKXSAKSA-N 1 0 347.459 2.695 20 5 EFBDRO COc1ccccc1CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965526 1272559382 /nfs/dbraw/zinc/55/93/82/1272559382.db2.gz AJUWFPVCPJNZIQ-YJBOKZPZSA-N 1 0 347.459 2.695 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966489 1272559911 /nfs/dbraw/zinc/55/99/11/1272559911.db2.gz INFJKDWVTPPEBH-GBJTYRQASA-N 1 0 341.452 2.857 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2F)C1 ZINC001168992497 1272569857 /nfs/dbraw/zinc/56/98/57/1272569857.db2.gz KCOLSBGFNAPFPU-ZFWWWQNUSA-N 1 0 332.379 2.606 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2cccc(F)c2)C1 ZINC001168997473 1272573534 /nfs/dbraw/zinc/57/35/34/1272573534.db2.gz ZSOWRYHNFPREJD-GDBMZVCRSA-N 1 0 332.379 2.606 20 5 EFBDRO [NH3+]Cc1cc(Br)ccc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997136 1272573733 /nfs/dbraw/zinc/57/37/33/1272573733.db2.gz BSJZPUGQQZXYFS-SKDRFNHKSA-N 1 0 328.210 2.765 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168998438 1272574893 /nfs/dbraw/zinc/57/48/93/1272574893.db2.gz NAGNCQGAVWEATM-VDHUWJSZSA-N 1 0 345.443 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccc(F)cc3)cn2)C1 ZINC001168997776 1272575181 /nfs/dbraw/zinc/57/51/81/1272575181.db2.gz FUVGERQWZVOUNJ-GOEBONIOSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccc(CC2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998550 1272575530 /nfs/dbraw/zinc/57/55/30/1272575530.db2.gz OLWOUTFIJNCHBT-SJORKVTESA-N 1 0 348.443 2.822 20 5 EFBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998556 1272575618 /nfs/dbraw/zinc/57/56/18/1272575618.db2.gz OOMKNTCPGKNMJT-GOEBONIOSA-N 1 0 334.416 2.736 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1Br ZINC001169004985 1272578727 /nfs/dbraw/zinc/57/87/27/1272578727.db2.gz TWBIIYTWXIFNMH-RYUDHWBXSA-N 1 0 343.221 2.993 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1Br ZINC001169004983 1272579440 /nfs/dbraw/zinc/57/94/40/1272579440.db2.gz TWBIIYTWXIFNMH-NEPJUHHUSA-N 1 0 343.221 2.993 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC001169007426 1272581273 /nfs/dbraw/zinc/58/12/73/1272581273.db2.gz NQPWCQVTRIREFS-OLZOCXBDSA-N 1 0 325.359 2.532 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009749 1272582677 /nfs/dbraw/zinc/58/26/77/1272582677.db2.gz XXTTZGYNZDEUPL-YJBOKZPZSA-N 1 0 326.400 2.924 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001169009338 1272583364 /nfs/dbraw/zinc/58/33/64/1272583364.db2.gz VTNXXTQXYUIQEC-AXHCFYFUSA-N 1 0 329.444 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001169009746 1272583601 /nfs/dbraw/zinc/58/36/01/1272583601.db2.gz XXTTZGYNZDEUPL-CRAIPNDOSA-N 1 0 326.400 2.924 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014022 1272585030 /nfs/dbraw/zinc/58/50/30/1272585030.db2.gz XYBOIXNFJIWCFU-RBSFLKMASA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011100 1272585631 /nfs/dbraw/zinc/58/56/31/1272585631.db2.gz IKOUXZVCGILBED-APIJFGDWSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC12C[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011035 1272585688 /nfs/dbraw/zinc/58/56/88/1272585688.db2.gz HMKABMACXWTCIO-KBPBESRZSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988400 1272588189 /nfs/dbraw/zinc/58/81/89/1272588189.db2.gz RVVUKQKNTDYFTI-MJBXVCDLSA-N 1 0 329.441 2.571 20 5 EFBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988301 1272588837 /nfs/dbraw/zinc/58/88/37/1272588837.db2.gz QNPMODFAWSAQSM-YJNKXOJESA-N 1 0 341.452 2.667 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCOCC2)C1 ZINC001168987723 1272589045 /nfs/dbraw/zinc/58/90/45/1272589045.db2.gz JUQZOQRQETXSGJ-GDBMZVCRSA-N 1 0 334.416 2.779 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168990259 1272589871 /nfs/dbraw/zinc/58/98/71/1272589871.db2.gz ZJAXLMYLQQCJIC-LEWSCRJBSA-N 1 0 332.322 2.774 20 5 EFBDRO O=C1Nc2c(cccc2F)C12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169030396 1272594848 /nfs/dbraw/zinc/59/48/48/1272594848.db2.gz ZPLYZVNWQJSJMO-OLZOCXBDSA-N 1 0 347.390 2.557 20 5 EFBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1OC ZINC001169034243 1272595848 /nfs/dbraw/zinc/59/58/48/1272595848.db2.gz GHYJJYVZXZSRMR-GXTWGEPZSA-N 1 0 338.404 2.590 20 5 EFBDRO O=C1OC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169033211 1272596356 /nfs/dbraw/zinc/59/63/56/1272596356.db2.gz BJIBBMPOTVEGEG-ZIAGYGMSSA-N 1 0 330.384 2.594 20 5 EFBDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035722 1272598801 /nfs/dbraw/zinc/59/88/01/1272598801.db2.gz LMDKPAVMFTZGNY-KBPBESRZSA-N 1 0 343.427 2.990 20 5 EFBDRO COc1cccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169035148 1272599704 /nfs/dbraw/zinc/59/97/04/1272599704.db2.gz ALGWZZOGQUEHHO-YOEHRIQHSA-N 1 0 333.432 2.699 20 5 EFBDRO O=C1Nc2ccccc2C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169037160 1272603729 /nfs/dbraw/zinc/60/37/29/1272603729.db2.gz QYXSSXDODALVCG-KBPBESRZSA-N 1 0 344.415 2.558 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169037180 1272604055 /nfs/dbraw/zinc/60/40/55/1272604055.db2.gz RANPDWQISODZEL-AEFFLSMTSA-N 1 0 335.423 2.779 20 5 EFBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037996 1272605087 /nfs/dbraw/zinc/60/50/87/1272605087.db2.gz UUZBCMAFGZRDGX-DZGCQCFKSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038331 1272605839 /nfs/dbraw/zinc/60/58/39/1272605839.db2.gz YDDUQFGHYPFUED-MFKMUULPSA-N 1 0 329.322 2.904 20 5 EFBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037998 1272606291 /nfs/dbraw/zinc/60/62/91/1272606291.db2.gz UUZBCMAFGZRDGX-UKRRQHHQSA-N 1 0 341.452 2.763 20 5 EFBDRO CN(C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169040002 1272608093 /nfs/dbraw/zinc/60/80/93/1272608093.db2.gz WTXSILUTTBJHPK-ILXRZTDVSA-N 1 0 341.452 2.621 20 5 EFBDRO CC1(C)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@]12c1ccccc1OC2=O ZINC001169041065 1272612199 /nfs/dbraw/zinc/61/21/99/1272612199.db2.gz ARZYAGFKCGMWCT-PJIJBLCYSA-N 1 0 344.411 2.773 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001169045643 1272612275 /nfs/dbraw/zinc/61/22/75/1272612275.db2.gz JPCDSXIQSOUJHF-XWSJACJDSA-N 1 0 329.444 2.638 20 5 EFBDRO O=C(C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCCCC1 ZINC001169023838 1272619707 /nfs/dbraw/zinc/61/97/07/1272619707.db2.gz FPWWQAHGTADNHT-NVXWUHKLSA-N 1 0 337.464 2.546 20 5 EFBDRO C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169045504 1272622578 /nfs/dbraw/zinc/62/25/78/1272622578.db2.gz JKEQMSVTGUNESU-ILXRZTDVSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047053 1272624819 /nfs/dbraw/zinc/62/48/19/1272624819.db2.gz QNMHAMKUHPJIAS-BBWFWOEESA-N 1 0 338.448 2.877 20 5 EFBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCCCC1 ZINC001169046690 1272624954 /nfs/dbraw/zinc/62/49/54/1272624954.db2.gz LUTYLQZJHKSTLB-YOEHRIQHSA-N 1 0 337.464 2.593 20 5 EFBDRO O=C(Nc1ccccc1)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046904 1272625125 /nfs/dbraw/zinc/62/51/25/1272625125.db2.gz OGLYXCXPERVOTQ-YOEHRIQHSA-N 1 0 346.431 2.718 20 5 EFBDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047054 1272625831 /nfs/dbraw/zinc/62/58/31/1272625831.db2.gz QNMHAMKUHPJIAS-BRWVUGGUSA-N 1 0 338.448 2.877 20 5 EFBDRO CCOC(=O)C1(C(C)C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046724 1272625917 /nfs/dbraw/zinc/62/59/17/1272625917.db2.gz MHHGOLLADNKOEQ-GJZGRUSLSA-N 1 0 326.437 2.733 20 5 EFBDRO C[C@H]1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169047880 1272627033 /nfs/dbraw/zinc/62/70/33/1272627033.db2.gz SEDOFOLAONWQEW-ZQDZILKHSA-N 1 0 341.452 2.762 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053111 1272631096 /nfs/dbraw/zinc/63/10/96/1272631096.db2.gz HMKKYDQCJFHOAZ-JJRVBVJISA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053113 1272631205 /nfs/dbraw/zinc/63/12/05/1272631205.db2.gz HMKKYDQCJFHOAZ-JKIFEVAISA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053109 1272631482 /nfs/dbraw/zinc/63/14/82/1272631482.db2.gz HMKKYDQCJFHOAZ-GRDNDAEWSA-N 1 0 341.452 2.669 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055329 1272632391 /nfs/dbraw/zinc/63/23/91/1272632391.db2.gz POXVFRYSEOITBZ-LXTVHRRPSA-N 1 0 341.452 2.667 20 5 EFBDRO COc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001169146634 1272708278 /nfs/dbraw/zinc/70/82/78/1272708278.db2.gz WFVOYOMMURJVQZ-BZNIZROVSA-N 1 0 337.424 2.657 20 5 EFBDRO [NH3+]Cc1cccc2c1cnn2-c1nccc(Br)c1[N+](=O)[O-] ZINC001169193068 1272731847 /nfs/dbraw/zinc/73/18/47/1272731847.db2.gz SPCRIBZYLOOPIV-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO CCOC(=O)c1ccc(-n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001169193492 1272734066 /nfs/dbraw/zinc/73/40/66/1272734066.db2.gz YKRKSLBHYNJKEC-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO C[C@H]1C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc21 ZINC001169378810 1272878886 /nfs/dbraw/zinc/87/88/86/1272878886.db2.gz USDXJEGHIVMIGV-HZMBPMFUSA-N 1 0 325.372 2.732 20 5 EFBDRO COc1cc([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)cc1F ZINC001169592504 1273025723 /nfs/dbraw/zinc/02/57/23/1273025723.db2.gz WKTRNGFLRWELLI-UHFFFAOYSA-N 1 0 332.335 2.681 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001035186627 1273733926 /nfs/dbraw/zinc/73/39/26/1273733926.db2.gz HHEJPRNJZABSHV-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792551465 1278844648 /nfs/dbraw/zinc/84/46/48/1278844648.db2.gz MSSCDOLXYCIMOE-UHFFFAOYSA-N 1 0 327.296 2.608 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109547811 1274408522 /nfs/dbraw/zinc/40/85/22/1274408522.db2.gz WQUNPIPHCLXVAD-UHFFFAOYSA-N 1 0 336.436 2.586 20 5 EFBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000785606378 1275128192 /nfs/dbraw/zinc/12/81/92/1275128192.db2.gz MUTBZXKOXCJWNQ-UHFFFAOYSA-N 1 0 336.388 2.756 20 5 EFBDRO CC(C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000786148544 1275313081 /nfs/dbraw/zinc/31/30/81/1275313081.db2.gz JOHWLTUHWWHQOR-UHFFFAOYSA-N 1 0 346.387 2.940 20 5 EFBDRO COCC1([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000707155732 1275340821 /nfs/dbraw/zinc/34/08/21/1275340821.db2.gz OVGWZPKHZFWVOO-UHFFFAOYSA-N 1 0 329.194 2.968 20 5 EFBDRO C[NH+](C)CCN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCC1 ZINC000786554762 1275441323 /nfs/dbraw/zinc/44/13/23/1275441323.db2.gz LVCKCUSOJNFHOS-UHFFFAOYSA-N 1 0 346.431 2.790 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000786573778 1275446944 /nfs/dbraw/zinc/44/69/44/1275446944.db2.gz FRVWQSRTXAPPEY-UHFFFAOYSA-N 1 0 326.400 2.808 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000786833766 1275537156 /nfs/dbraw/zinc/53/71/56/1275537156.db2.gz LUNLRFJYVNKESB-CYBMUJFWSA-N 1 0 340.383 2.975 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000786883677 1275583196 /nfs/dbraw/zinc/58/31/96/1275583196.db2.gz WLVHAMZRFYKUBQ-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2nccnc2Cl)c([N+](=O)[O-])c1 ZINC001170298193 1278980661 /nfs/dbraw/zinc/98/06/61/1278980661.db2.gz HTRLQFNQGLFDQM-JTQLQIEISA-N 1 0 336.779 2.768 20 5 EFBDRO CCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170296611 1278980848 /nfs/dbraw/zinc/98/08/48/1278980848.db2.gz GPJQYMUREOONTP-CYBMUJFWSA-N 1 0 349.431 2.525 20 5 EFBDRO CCOC(C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])OCC ZINC001170297898 1278980914 /nfs/dbraw/zinc/98/09/14/1278980914.db2.gz VGRJDFGAJXHAPU-GFCCVEGCSA-N 1 0 326.393 2.523 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001170299112 1278982405 /nfs/dbraw/zinc/98/24/05/1278982405.db2.gz PYEWJXOAOKTPMJ-LBPRGKRZSA-N 1 0 348.403 2.873 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001157266162 1275873216 /nfs/dbraw/zinc/87/32/16/1275873216.db2.gz OTHTYDGWRXEMGN-HZMBPMFUSA-N 1 0 347.806 2.722 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000787811963 1275924123 /nfs/dbraw/zinc/92/41/23/1275924123.db2.gz NLUUHBIXDDLANE-SNVBAGLBSA-N 1 0 326.784 2.664 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170304497 1278990699 /nfs/dbraw/zinc/99/06/99/1278990699.db2.gz CPVYUIGVOQQKGS-OLZOCXBDSA-N 1 0 330.388 2.545 20 5 EFBDRO C[C@@H]1[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000788275759 1276124924 /nfs/dbraw/zinc/12/49/24/1276124924.db2.gz YWVVFAZVDCOMMU-ZWNOBZJWSA-N 1 0 325.796 2.547 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170312983 1279008311 /nfs/dbraw/zinc/00/83/11/1279008311.db2.gz HODFPMVFTORRLQ-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170318324 1279012326 /nfs/dbraw/zinc/01/23/26/1279012326.db2.gz PAWFKDXSFNOZPW-DZGCQCFKSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCCC(OC)OC)c([N+](=O)[O-])c1 ZINC001170319224 1279013569 /nfs/dbraw/zinc/01/35/69/1279013569.db2.gz VNEKFFAWKQYJPK-GFCCVEGCSA-N 1 0 326.393 2.523 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630300 1276249109 /nfs/dbraw/zinc/24/91/09/1276249109.db2.gz ZWNZHVNOBONPFW-DGCLKSJQSA-N 1 0 345.378 2.641 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630301 1276249464 /nfs/dbraw/zinc/24/94/64/1276249464.db2.gz ZWNZHVNOBONPFW-WCQYABFASA-N 1 0 345.378 2.641 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnn3ccccc23)c([N+](=O)[O-])c1 ZINC001170327135 1279018469 /nfs/dbraw/zinc/01/84/69/1279018469.db2.gz FCYOKPFATYCEKV-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@](O)(CF)C2)c([N+](=O)[O-])c1 ZINC001170327801 1279019244 /nfs/dbraw/zinc/01/92/44/1279019244.db2.gz HZTZNCYFPXNSFJ-CXAGYDPISA-N 1 0 340.395 2.721 20 5 EFBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000788801725 1276317330 /nfs/dbraw/zinc/31/73/30/1276317330.db2.gz ZBHOFUDYNVXQEF-MNOVXSKESA-N 1 0 338.408 2.741 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccncc2OC)c([N+](=O)[O-])c1 ZINC001170328061 1279019835 /nfs/dbraw/zinc/01/98/35/1279019835.db2.gz UIZDCJACKQZMQD-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](O)(CF)CC2)c([N+](=O)[O-])c1 ZINC001170329602 1279021762 /nfs/dbraw/zinc/02/17/62/1279021762.db2.gz SGUKJCIBBXQTHA-CXAGYDPISA-N 1 0 340.395 2.721 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000788961669 1276414396 /nfs/dbraw/zinc/41/43/96/1276414396.db2.gz DFMUBWUIHBLXQY-GFCCVEGCSA-N 1 0 338.404 2.918 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817975635 1276415696 /nfs/dbraw/zinc/41/56/96/1276415696.db2.gz XEYHNUYUXRHFKV-SJCJKPOMSA-N 1 0 326.400 2.715 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170352872 1279031707 /nfs/dbraw/zinc/03/17/07/1279031707.db2.gz SIRDWDGHRGHJAX-CQSZACIVSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC001170353087 1279032032 /nfs/dbraw/zinc/03/20/32/1279032032.db2.gz VOYJRCUODOTXSU-BXUZGUMPSA-N 1 0 346.387 2.715 20 5 EFBDRO CCC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170354956 1279033875 /nfs/dbraw/zinc/03/38/75/1279033875.db2.gz SKWUVPDUZXEKRS-USXIJHARSA-N 1 0 347.459 2.808 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([N@H+](C)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170354958 1279034109 /nfs/dbraw/zinc/03/41/09/1279034109.db2.gz SMBGOCVFWPGVKC-CJNGLKHVSA-N 1 0 333.432 2.703 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[N@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170355840 1279034200 /nfs/dbraw/zinc/03/42/00/1279034200.db2.gz QREOTVVJQDKPBV-GJZGRUSLSA-N 1 0 335.448 2.949 20 5 EFBDRO CC[N@@H+]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001170355344 1279034414 /nfs/dbraw/zinc/03/44/14/1279034414.db2.gz AHHPNPUODOTVDM-CQSZACIVSA-N 1 0 335.448 2.951 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000922988873 1276468226 /nfs/dbraw/zinc/46/82/26/1276468226.db2.gz XEKBXNDFUJZOBE-OAHLLOKOSA-N 1 0 346.431 2.578 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355309 1279035116 /nfs/dbraw/zinc/03/51/16/1279035116.db2.gz ZJKKMWOYSNNSPY-JOQOYGCGSA-N 1 0 333.432 2.560 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000818555270 1276533231 /nfs/dbraw/zinc/53/32/31/1276533231.db2.gz WCSDYFYOHRUWKB-CYBMUJFWSA-N 1 0 325.796 2.886 20 5 EFBDRO Cc1cc(F)cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000818564040 1276534888 /nfs/dbraw/zinc/53/48/88/1276534888.db2.gz DTORTUCXJAKJHR-LBPRGKRZSA-N 1 0 344.346 2.506 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818591476 1276538376 /nfs/dbraw/zinc/53/83/76/1276538376.db2.gz MEXPJUFRYHSKPE-NSHDSACASA-N 1 0 343.786 2.660 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818614239 1276538799 /nfs/dbraw/zinc/53/87/99/1276538799.db2.gz XOPHKBCWNKSNQV-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000818596074 1276544536 /nfs/dbraw/zinc/54/45/36/1276544536.db2.gz WVSCUPUKZAHFPW-LLVKDONJSA-N 1 0 343.786 2.578 20 5 EFBDRO [NH3+]Cc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000818608077 1276545657 /nfs/dbraw/zinc/54/56/57/1276545657.db2.gz LHPRRTMGUYEFTN-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCN2CCc3ccccc32)c1 ZINC000818947901 1276555449 /nfs/dbraw/zinc/55/54/49/1276555449.db2.gz UIZKVJNVHLNDFM-LJQANCHMSA-N 1 0 341.411 2.671 20 5 EFBDRO CCOCc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818952545 1276557032 /nfs/dbraw/zinc/55/70/32/1276557032.db2.gz PFTOTQSESSKXKY-GOSISDBHSA-N 1 0 330.384 2.955 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000818956394 1276558885 /nfs/dbraw/zinc/55/88/85/1276558885.db2.gz LAWXEDJKVGBDGV-KBXCAEBGSA-N 1 0 329.400 2.743 20 5 EFBDRO CCN(CC)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818980427 1276562386 /nfs/dbraw/zinc/56/23/86/1276562386.db2.gz KDJQZVHQVZJFAX-IAGOWNOFSA-N 1 0 347.415 2.894 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2CCCc3ccccc32)cc1 ZINC000818981166 1276563003 /nfs/dbraw/zinc/56/30/03/1276563003.db2.gz RLFVZAGWBWFTRE-IBGZPJMESA-N 1 0 341.411 2.671 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818967931 1276572944 /nfs/dbraw/zinc/57/29/44/1276572944.db2.gz FOVYAEVUSAWQDN-CQSZACIVSA-N 1 0 338.310 2.705 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000818968707 1276573020 /nfs/dbraw/zinc/57/30/20/1276573020.db2.gz FONGCAMFKJFUNX-ROUUACIJSA-N 1 0 347.390 2.660 20 5 EFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818970018 1276573869 /nfs/dbraw/zinc/57/38/69/1276573869.db2.gz KTLPIZJFDGPTDH-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819040041 1276577293 /nfs/dbraw/zinc/57/72/93/1276577293.db2.gz TXWHRMFHNVBLRH-INIZCTEOSA-N 1 0 331.372 2.602 20 5 EFBDRO COc1cccc(OCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819086891 1276600260 /nfs/dbraw/zinc/60/02/60/1276600260.db2.gz YZNNHPZQEYWJTD-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000819072252 1276620254 /nfs/dbraw/zinc/62/02/54/1276620254.db2.gz BPWMFVXLYYYZPT-APWZRJJASA-N 1 0 341.411 2.887 20 5 EFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819153648 1276631730 /nfs/dbraw/zinc/63/17/30/1276631730.db2.gz CDKVUABJEZDASY-IAGOWNOFSA-N 1 0 328.368 2.914 20 5 EFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819153651 1276631923 /nfs/dbraw/zinc/63/19/23/1276631923.db2.gz CDKVUABJEZDASY-SJORKVTESA-N 1 0 328.368 2.914 20 5 EFBDRO C[C@H](O)C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819156851 1276632905 /nfs/dbraw/zinc/63/29/05/1276632905.db2.gz ZIZGSWLTHPJDSN-UCLAIMLFSA-N 1 0 344.411 2.773 20 5 EFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819108497 1276633468 /nfs/dbraw/zinc/63/34/68/1276633468.db2.gz FYQBPMNWVNPWMD-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819113184 1276635956 /nfs/dbraw/zinc/63/59/56/1276635956.db2.gz MJHAFOGAPVZVHP-SCLBCKFNSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819113923 1276636478 /nfs/dbraw/zinc/63/64/78/1276636478.db2.gz WTBDGDZYZBERGC-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cccc(F)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819114208 1276637865 /nfs/dbraw/zinc/63/78/65/1276637865.db2.gz ZDUMGJNWNXEGJM-ZDUSSCGKSA-N 1 0 334.347 2.572 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819182018 1276661452 /nfs/dbraw/zinc/66/14/52/1276661452.db2.gz GKVVUPCPTVKUNG-QAPCUYQASA-N 1 0 335.448 2.586 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819182016 1276661556 /nfs/dbraw/zinc/66/15/56/1276661556.db2.gz GKVVUPCPTVKUNG-CRAIPNDOSA-N 1 0 335.448 2.586 20 5 EFBDRO CC(C)Oc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819186104 1276664571 /nfs/dbraw/zinc/66/45/71/1276664571.db2.gz PCSPSBGXLUPVLK-INIZCTEOSA-N 1 0 331.372 2.600 20 5 EFBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819208328 1276689331 /nfs/dbraw/zinc/68/93/31/1276689331.db2.gz BDYNXZDSKMQQCM-DNVCBOLYSA-N 1 0 343.427 2.738 20 5 EFBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819216507 1276691856 /nfs/dbraw/zinc/69/18/56/1276691856.db2.gz VFYAOOXOQLPXRU-CXAGYDPISA-N 1 0 345.399 2.990 20 5 EFBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819216508 1276694461 /nfs/dbraw/zinc/69/44/61/1276694461.db2.gz VFYAOOXOQLPXRU-DYVFJYSZSA-N 1 0 345.399 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000819236165 1276701268 /nfs/dbraw/zinc/70/12/68/1276701268.db2.gz RCQNRJWEVRMWSL-NKELODKYSA-N 1 0 342.395 2.966 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000819307606 1276712818 /nfs/dbraw/zinc/71/28/18/1276712818.db2.gz BCUQOPSTWKGZFS-MRXNPFEDSA-N 1 0 327.384 2.735 20 5 EFBDRO CCO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819267418 1276720551 /nfs/dbraw/zinc/72/05/51/1276720551.db2.gz TZXRLKTZCQICFR-MSOLQXFVSA-N 1 0 330.384 2.996 20 5 EFBDRO COc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819277917 1276725212 /nfs/dbraw/zinc/72/52/12/1276725212.db2.gz PNJCZIRFEKIZPN-KSZLIROESA-N 1 0 328.368 2.783 20 5 EFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000819322394 1276726105 /nfs/dbraw/zinc/72/61/05/1276726105.db2.gz SFVRNVNKLLBYBP-NVXWUHKLSA-N 1 0 348.424 2.767 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000819322395 1276727119 /nfs/dbraw/zinc/72/71/19/1276727119.db2.gz SFVRNVNKLLBYBP-RDJZCZTQSA-N 1 0 348.424 2.767 20 5 EFBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819360669 1276727720 /nfs/dbraw/zinc/72/77/20/1276727720.db2.gz JXBCUUOMARCDIW-XIKOKIGWSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000819327768 1276729612 /nfs/dbraw/zinc/72/96/12/1276729612.db2.gz IANYPTTUDTUXJW-KBXCAEBGSA-N 1 0 345.374 2.636 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819347836 1276737359 /nfs/dbraw/zinc/73/73/59/1276737359.db2.gz ODMDFQOUPGRRLD-MFKMUULPSA-N 1 0 349.214 2.508 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000819348518 1276739046 /nfs/dbraw/zinc/73/90/46/1276739046.db2.gz HIAYCCJMLUNOHK-NXHRZFHOSA-N 1 0 343.383 2.533 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000789514416 1276771506 /nfs/dbraw/zinc/77/15/06/1276771506.db2.gz QBXVEPJDWQLPAU-DLBZAZTESA-N 1 0 330.388 2.854 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000789514418 1276772541 /nfs/dbraw/zinc/77/25/41/1276772541.db2.gz QBXVEPJDWQLPAU-IAGOWNOFSA-N 1 0 330.388 2.854 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsc1Cl ZINC001134813049 1287256520 /nfs/dbraw/zinc/25/65/20/1287256520.db2.gz YEFQUKSCGKPUOL-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](F)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335231 1279026604 /nfs/dbraw/zinc/02/66/04/1279026604.db2.gz MWABWPDGSNDDSU-GUYCJALGSA-N 1 0 340.395 2.721 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](F)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335233 1279027263 /nfs/dbraw/zinc/02/72/63/1279027263.db2.gz MWABWPDGSNDDSU-SUMWQHHRSA-N 1 0 340.395 2.721 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC001170306574 1279027862 /nfs/dbraw/zinc/02/78/62/1279027862.db2.gz XSNCWIWNZPBRFZ-GFCCVEGCSA-N 1 0 328.372 2.603 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000820875148 1277355436 /nfs/dbraw/zinc/35/54/36/1277355436.db2.gz XFTWDBNHCDFMIO-LBPRGKRZSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000821031930 1277406671 /nfs/dbraw/zinc/40/66/71/1277406671.db2.gz XSIIBVSNGFJGPD-ZHALLVOQSA-N 1 0 343.427 2.643 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000821007971 1277414655 /nfs/dbraw/zinc/41/46/55/1277414655.db2.gz SPPSJOVQAJQURQ-GOEBONIOSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000821007979 1277414805 /nfs/dbraw/zinc/41/48/05/1277414805.db2.gz SPPSJOVQAJQURQ-ZBFHGGJFSA-N 1 0 331.416 2.768 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923283956 1277459887 /nfs/dbraw/zinc/45/98/87/1277459887.db2.gz ZQXTXMIOVRILCW-LLVKDONJSA-N 1 0 342.237 2.789 20 5 EFBDRO C[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923284489 1277461733 /nfs/dbraw/zinc/46/17/33/1277461733.db2.gz OASKMTOUNUGZQG-NSHDSACASA-N 1 0 328.210 2.541 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923279894 1277469650 /nfs/dbraw/zinc/46/96/50/1277469650.db2.gz FTKMEZOONJVMDV-LBPRGKRZSA-N 1 0 328.210 2.671 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923282383 1277478211 /nfs/dbraw/zinc/47/82/11/1277478211.db2.gz VAKCPGIOJAIZQQ-JTQLQIEISA-N 1 0 328.210 2.528 20 5 EFBDRO C[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923291446 1277484213 /nfs/dbraw/zinc/48/42/13/1277484213.db2.gz SLNZEXYTKNCAEZ-UHFFFAOYSA-N 1 0 342.237 2.789 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000923289407 1277503052 /nfs/dbraw/zinc/50/30/52/1277503052.db2.gz IASVCYMNSJPWMD-TVQRCGJNSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@@H]1CCSCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000790482295 1277592550 /nfs/dbraw/zinc/59/25/50/1277592550.db2.gz VSIVMBNDOFGDFC-GFCCVEGCSA-N 1 0 333.417 2.638 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790576256 1277681865 /nfs/dbraw/zinc/68/18/65/1277681865.db2.gz KNJHIVTUGDRQGN-SNVBAGLBSA-N 1 0 345.802 2.776 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC001175065601 1287294361 /nfs/dbraw/zinc/29/43/61/1287294361.db2.gz WNONCVVJKOBOFM-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000790784554 1277771153 /nfs/dbraw/zinc/77/11/53/1277771153.db2.gz MVOJIAXAJKFBDQ-GXSJLCMTSA-N 1 0 343.786 2.529 20 5 EFBDRO O=C(Cc1ccccc1F)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175105740 1287312091 /nfs/dbraw/zinc/31/20/91/1287312091.db2.gz MCFANPZXPKLWCA-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170346548 1279051016 /nfs/dbraw/zinc/05/10/16/1279051016.db2.gz OCSWCDLNMRUINY-CYBMUJFWSA-N 1 0 348.399 2.706 20 5 EFBDRO CCCC[NH+]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170346616 1279051393 /nfs/dbraw/zinc/05/13/93/1279051393.db2.gz OSWOSKWNJBKZAS-OAHLLOKOSA-N 1 0 335.448 2.952 20 5 EFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC001170346550 1279052052 /nfs/dbraw/zinc/05/20/52/1279052052.db2.gz OCSWCDLNMRUINY-ZDUSSCGKSA-N 1 0 348.399 2.706 20 5 EFBDRO Cc1c(CNc2ccc(N3CC[NH+](C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000871862425 1287327413 /nfs/dbraw/zinc/32/74/13/1287327413.db2.gz ZFCJZBFMEYDQHS-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000844640716 1279161144 /nfs/dbraw/zinc/16/11/44/1279161144.db2.gz KHYHVJMELBCJSU-AXFHLTTASA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000844640719 1279161225 /nfs/dbraw/zinc/16/12/25/1279161225.db2.gz KHYHVJMELBCJSU-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@@H+]1C ZINC000844642208 1279162101 /nfs/dbraw/zinc/16/21/01/1279162101.db2.gz HYTYJSLTKCXDSS-AXFHLTTASA-N 1 0 325.796 2.801 20 5 EFBDRO Cn1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000815135910 1287340017 /nfs/dbraw/zinc/34/00/17/1287340017.db2.gz WQYMJALXUYQPSH-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO CC(C)(CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000844964879 1279364673 /nfs/dbraw/zinc/36/46/73/1279364673.db2.gz PSPGTVSVPYQZTK-SFHVURJKSA-N 1 0 333.432 2.603 20 5 EFBDRO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000845525104 1279700842 /nfs/dbraw/zinc/70/08/42/1279700842.db2.gz XHHJHNOYDZIPCQ-SNVBAGLBSA-N 1 0 345.802 2.669 20 5 EFBDRO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000845525103 1279701133 /nfs/dbraw/zinc/70/11/33/1279701133.db2.gz XHHJHNOYDZIPCQ-JTQLQIEISA-N 1 0 345.802 2.669 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC(C4CC4)CC3)n2)cc1 ZINC000793630807 1279783828 /nfs/dbraw/zinc/78/38/28/1279783828.db2.gz JWDQRRJXEFRXPR-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO Cc1c(C[NH2+]Cc2cc(Br)nn2C)cccc1[N+](=O)[O-] ZINC000691583955 1287374101 /nfs/dbraw/zinc/37/41/01/1287374101.db2.gz ABEISUOXPMYYFW-UHFFFAOYSA-N 1 0 339.193 2.689 20 5 EFBDRO C[NH+](C)CCC(=O)NC1(CNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001114179780 1279884145 /nfs/dbraw/zinc/88/41/45/1279884145.db2.gz WYTBRGPZOBEIPM-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000846097704 1280031231 /nfs/dbraw/zinc/03/12/31/1280031231.db2.gz UIQJWHWZEBGSEI-SECBINFHSA-N 1 0 346.214 2.860 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000794217076 1280100816 /nfs/dbraw/zinc/10/08/16/1280100816.db2.gz DALKKCHAXBDAIK-GFCCVEGCSA-N 1 0 325.384 2.893 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000846301171 1280107251 /nfs/dbraw/zinc/10/72/51/1280107251.db2.gz UQIIGAJLQHMPCK-BONVTDFDSA-N 1 0 338.795 2.841 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000872024324 1287404170 /nfs/dbraw/zinc/40/41/70/1287404170.db2.gz QGGHDZGVHLUTNA-NWDGAFQWSA-N 1 0 337.445 2.978 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000872033983 1287406323 /nfs/dbraw/zinc/40/63/23/1287406323.db2.gz KUOFGJVFCHNJRJ-STQMWFEESA-N 1 0 339.461 2.688 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872044389 1287409347 /nfs/dbraw/zinc/40/93/47/1287409347.db2.gz UPFRYGORJZJQTN-RYUDHWBXSA-N 1 0 337.445 2.978 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804579740 1280302103 /nfs/dbraw/zinc/30/21/03/1280302103.db2.gz MSBFAEQDZILRHW-CYBMUJFWSA-N 1 0 334.376 2.671 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872066253 1287417431 /nfs/dbraw/zinc/41/74/31/1287417431.db2.gz LOKNDVXGURGPMJ-GHMZBOCLSA-N 1 0 325.434 2.834 20 5 EFBDRO Cc1noc(C(C)C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129920675 1280375389 /nfs/dbraw/zinc/37/53/89/1280375389.db2.gz RTGWOZBQBFGKFH-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO Cc1noc(C(C)C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129920595 1280375610 /nfs/dbraw/zinc/37/56/10/1280375610.db2.gz NPJRYYQFIYGAPX-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO Cc1cc(N[C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001091350320 1280384216 /nfs/dbraw/zinc/38/42/16/1280384216.db2.gz LSBNFDMOLIDBQD-FZNQNYSPSA-N 1 0 348.447 2.550 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000872068870 1287418612 /nfs/dbraw/zinc/41/86/12/1287418612.db2.gz JRBCWNIUFZRUQB-AVGNSLFASA-N 1 0 340.445 2.612 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cscc1Cl ZINC001130003568 1280407862 /nfs/dbraw/zinc/40/78/62/1280407862.db2.gz JTHLUXUTPGHJRE-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091358525 1280428546 /nfs/dbraw/zinc/42/85/46/1280428546.db2.gz GVHXDXIHNMNURX-FZNQNYSPSA-N 1 0 348.447 2.633 20 5 EFBDRO CN(CC[NH+](C)C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000747226256 1280430908 /nfs/dbraw/zinc/43/09/08/1280430908.db2.gz KFMPVQPEHSSQPT-UHFFFAOYSA-N 1 0 336.270 2.520 20 5 EFBDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872078904 1287422417 /nfs/dbraw/zinc/42/24/17/1287422417.db2.gz DTMVNXIJBGLVPG-LLVKDONJSA-N 1 0 346.474 2.792 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079344 1287422734 /nfs/dbraw/zinc/42/27/34/1287422734.db2.gz XODZJRGXJMAOKU-ZLKJLUDKSA-N 1 0 326.418 2.771 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000872084611 1287423032 /nfs/dbraw/zinc/42/30/32/1287423032.db2.gz SWHXTHRZYJIBSV-NEPJUHHUSA-N 1 0 349.456 2.978 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000846939040 1280628277 /nfs/dbraw/zinc/62/82/77/1280628277.db2.gz DKYUXWTYWRSYDZ-UHFFFAOYSA-N 1 0 332.379 2.693 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846989343 1280678475 /nfs/dbraw/zinc/67/84/75/1280678475.db2.gz RIXAASUOWHKRDO-CYBMUJFWSA-N 1 0 341.358 2.629 20 5 EFBDRO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091469564 1280762078 /nfs/dbraw/zinc/76/20/78/1280762078.db2.gz GVHXDXIHNMNURX-KOMQPUFPSA-N 1 0 348.447 2.633 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091489824 1280772316 /nfs/dbraw/zinc/77/23/16/1280772316.db2.gz AAFVGJOXEDIAMS-HDJSIYSDSA-N 1 0 348.447 2.632 20 5 EFBDRO [NH3+]CCN(c1cccnc1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158000920 1281035256 /nfs/dbraw/zinc/03/52/56/1281035256.db2.gz XMUVTSPQQAQRNK-UHFFFAOYSA-N 1 0 343.721 2.553 20 5 EFBDRO CCOC(=O)C1=C(Nc2c(C)cc(C)c([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC001170515329 1281194880 /nfs/dbraw/zinc/19/48/80/1281194880.db2.gz ISIDWXJMVGRAKP-UHFFFAOYSA-N 1 0 333.388 2.742 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000872217312 1287482391 /nfs/dbraw/zinc/48/23/91/1287482391.db2.gz SBAWPORUARUEIP-SQNIBIBYSA-N 1 0 328.368 2.748 20 5 EFBDRO CCOC(=O)C1=C(Nc2c(Cl)cc(C)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170521687 1281283704 /nfs/dbraw/zinc/28/37/04/1281283704.db2.gz LFYYMWRTTRJJMX-UHFFFAOYSA-N 1 0 339.779 2.779 20 5 EFBDRO O=C(CCc1ccc(F)cc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130918085 1281293908 /nfs/dbraw/zinc/29/39/08/1281293908.db2.gz LXVQXJNSRZQKHY-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001130928400 1281304120 /nfs/dbraw/zinc/30/41/20/1281304120.db2.gz IHWIFPNYGQHIPJ-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001130953770 1281331761 /nfs/dbraw/zinc/33/17/61/1281331761.db2.gz IFILLYHTWSKCSU-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO Cc1oc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001131043820 1281415048 /nfs/dbraw/zinc/41/50/48/1281415048.db2.gz SKYJPIBUTAJOEZ-UHFFFAOYSA-N 1 0 337.401 2.694 20 5 EFBDRO CCOC(=O)c1cc(-n2cc3ccc(C[NH3+])cc3n2)ccc1[N+](=O)[O-] ZINC001171322579 1281423306 /nfs/dbraw/zinc/42/33/06/1281423306.db2.gz ANWPVDPQJFPRSZ-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO COCCC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807958763 1281478542 /nfs/dbraw/zinc/47/85/42/1281478542.db2.gz FOKOUIPGDLSVEB-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000872251573 1287503296 /nfs/dbraw/zinc/50/32/96/1287503296.db2.gz OPUTVYIBFXJYDB-OKZBNKHCSA-N 1 0 330.384 2.730 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158264467 1281553725 /nfs/dbraw/zinc/55/37/25/1281553725.db2.gz BPXPPIUZCFFEMI-MEDUHNTESA-N 1 0 337.424 2.657 20 5 EFBDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000872268806 1287512429 /nfs/dbraw/zinc/51/24/29/1287512429.db2.gz OUTQZKBCDDZLGT-DLBZAZTESA-N 1 0 333.432 2.941 20 5 EFBDRO O=C(CCc1cccs1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175712026 1287524070 /nfs/dbraw/zinc/52/40/70/1287524070.db2.gz KFXLFJCQFKPBQQ-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000825595735 1287538721 /nfs/dbraw/zinc/53/87/21/1287538721.db2.gz UQVJVEDRKBRTCG-CQSZACIVSA-N 1 0 337.807 2.852 20 5 EFBDRO C[NH+](C)C[C@H](CO)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000809341575 1282159199 /nfs/dbraw/zinc/15/91/99/1282159199.db2.gz TZDWYGMFNZNOJI-SSDOTTSWSA-N 1 0 341.717 2.601 20 5 EFBDRO [NH3+]CCN(Cc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734564 1282411043 /nfs/dbraw/zinc/41/10/43/1282411043.db2.gz HQDQTJQEEDNPDY-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733242 1282411549 /nfs/dbraw/zinc/41/15/49/1282411549.db2.gz SLTKPRQNJMYOTB-ACJLOTCBSA-N 1 0 330.384 2.945 20 5 EFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809733245 1282411747 /nfs/dbraw/zinc/41/17/47/1282411747.db2.gz SLTKPRQNJMYOTB-UGSOOPFHSA-N 1 0 330.384 2.945 20 5 EFBDRO Cc1nc2ccccn2c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734885 1282414873 /nfs/dbraw/zinc/41/48/73/1282414873.db2.gz NCGJVCMWFSRLTB-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO [NH3+]CCN(Cc1c(Cl)nc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC000809735224 1282414905 /nfs/dbraw/zinc/41/49/05/1282414905.db2.gz WBOCCVAKGWQHII-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1Cl ZINC000809793110 1282489657 /nfs/dbraw/zinc/48/96/57/1282489657.db2.gz RJNGDMVHIZTGST-CJNGLKHVSA-N 1 0 334.759 2.832 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809918625 1282565434 /nfs/dbraw/zinc/56/54/34/1282565434.db2.gz KYEYVDXUVSTBJS-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554412 1287591060 /nfs/dbraw/zinc/59/10/60/1287591060.db2.gz ZCTJRYSKZPHSDI-ZDUSSCGKSA-N 1 0 334.420 2.620 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000809992683 1282726533 /nfs/dbraw/zinc/72/65/33/1282726533.db2.gz NYEXKSCQCOKLSE-ZWKOTPCHSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815559724 1287596114 /nfs/dbraw/zinc/59/61/14/1287596114.db2.gz ORDSMABFVZHAIB-NSHDSACASA-N 1 0 328.372 2.986 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132026307 1282791855 /nfs/dbraw/zinc/79/18/55/1282791855.db2.gz BWFMGFHKMLICTI-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000810039063 1282802422 /nfs/dbraw/zinc/80/24/22/1282802422.db2.gz PIYKMADUWTZZOH-QGZVFWFLSA-N 1 0 347.415 2.880 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)nc2)CC1 ZINC001175900269 1287602207 /nfs/dbraw/zinc/60/22/07/1287602207.db2.gz MGFBQHUSHOZYNF-CMDGGOBGSA-N 1 0 339.399 2.824 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001175903078 1287602378 /nfs/dbraw/zinc/60/23/78/1287602378.db2.gz ZHXVBCYOCUTHDK-CSKARUKUSA-N 1 0 339.399 2.824 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593561 1287620163 /nfs/dbraw/zinc/62/01/63/1287620163.db2.gz QARFWKJESXEPAL-IGCXYCKISA-N 1 0 329.400 2.992 20 5 EFBDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595810 1287624183 /nfs/dbraw/zinc/62/41/83/1287624183.db2.gz BXUYSWYCWUPMMV-SNVBAGLBSA-N 1 0 336.779 2.955 20 5 EFBDRO COc1c(F)cc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394100 1283207649 /nfs/dbraw/zinc/20/76/49/1283207649.db2.gz OMVJVJYOXXNWQJ-NSHDSACASA-N 1 0 333.319 2.600 20 5 EFBDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815574734 1287631177 /nfs/dbraw/zinc/63/11/77/1287631177.db2.gz BFYYKMKBIBGBBM-FZMZJTMJSA-N 1 0 343.383 2.840 20 5 EFBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001132341912 1283390310 /nfs/dbraw/zinc/39/03/10/1283390310.db2.gz NTGUEYFPOZZCHU-UHFFFAOYSA-N 1 0 347.440 2.840 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625936 1287645167 /nfs/dbraw/zinc/64/51/67/1287645167.db2.gz QIDGXRIEKQGPJS-YYUOZPCZSA-N 1 0 347.440 2.906 20 5 EFBDRO COc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000810840835 1283730640 /nfs/dbraw/zinc/73/06/40/1283730640.db2.gz IVQPNBJBMVVBAS-UONOGXRCSA-N 1 0 334.372 2.695 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000716163249 1284474883 /nfs/dbraw/zinc/47/48/83/1284474883.db2.gz CKJPZKAIIRIHQM-NKELODKYSA-N 1 0 342.395 2.966 20 5 EFBDRO Cc1nn(CN2CCCN3c4ccccc4C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000811782860 1284598173 /nfs/dbraw/zinc/59/81/73/1284598173.db2.gz SZBQGRBDQQMQKJ-INIZCTEOSA-N 1 0 341.415 2.503 20 5 EFBDRO Cc1nn(CN2CC[C@]3(C2)CCc2ccccc2O3)c(C)c1[N+](=O)[O-] ZINC000811782877 1284599094 /nfs/dbraw/zinc/59/90/94/1284599094.db2.gz LSANTXMOBVHNJB-SFHVURJKSA-N 1 0 342.399 2.835 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001093889214 1284600018 /nfs/dbraw/zinc/60/00/18/1284600018.db2.gz SXSQWSPLHQTWPF-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@@H+]1C1CC1 ZINC000811812613 1284642627 /nfs/dbraw/zinc/64/26/27/1284642627.db2.gz UEFZEJIUGKTDRC-WCQYABFASA-N 1 0 344.415 2.524 20 5 EFBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000811854274 1284693109 /nfs/dbraw/zinc/69/31/09/1284693109.db2.gz IYPMTGUTFGBQHG-UHFFFAOYSA-N 1 0 340.405 2.742 20 5 EFBDRO O=C(Cc1cccc(Cl)c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133211823 1284998651 /nfs/dbraw/zinc/99/86/51/1284998651.db2.gz WNWLANHWDHKRFW-UHFFFAOYSA-N 1 0 347.802 2.697 20 5 EFBDRO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccccn1 ZINC000872713240 1287754910 /nfs/dbraw/zinc/75/49/10/1287754910.db2.gz MMEHUHUNNQYXSE-OKILXGFUSA-N 1 0 325.372 2.709 20 5 EFBDRO CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001133276137 1285117192 /nfs/dbraw/zinc/11/71/92/1285117192.db2.gz ATVVWCRYFSERQT-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001133305406 1285158217 /nfs/dbraw/zinc/15/82/17/1285158217.db2.gz WGNZICCEIIPIEG-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCCC[NH+](C)C)c1 ZINC001094509032 1285215094 /nfs/dbraw/zinc/21/50/94/1285215094.db2.gz BXJJOOYFWLHDMM-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO COc1ncc([N+](=O)[O-])cc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170682736 1285319522 /nfs/dbraw/zinc/31/95/22/1285319522.db2.gz SDKQTZZKLBHEPF-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO CC(C)(C(=O)NCCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001094596345 1285410445 /nfs/dbraw/zinc/41/04/45/1285410445.db2.gz SNNJHWQSCLALPN-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001170686454 1285420017 /nfs/dbraw/zinc/42/00/17/1285420017.db2.gz RQQPBOJWFKAJPA-NSHDSACASA-N 1 0 349.354 2.510 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001094784071 1285548979 /nfs/dbraw/zinc/54/89/79/1285548979.db2.gz GLVHACJREQQKHS-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171682635 1285714324 /nfs/dbraw/zinc/71/43/24/1285714324.db2.gz LADBMYHUNBMRHA-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC001171694257 1285756009 /nfs/dbraw/zinc/75/60/09/1285756009.db2.gz FQNVCDQPXKIVGQ-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC[NH+](C)CC1 ZINC000813252028 1285762828 /nfs/dbraw/zinc/76/28/28/1285762828.db2.gz SUXFZPXJCAZUFR-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO O=C(CCc1ccccc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171864997 1285865846 /nfs/dbraw/zinc/86/58/46/1285865846.db2.gz LUIZSNQMAZYSNU-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000813417379 1285894866 /nfs/dbraw/zinc/89/48/66/1285894866.db2.gz HWHMBBFPMDFZKK-GFCCVEGCSA-N 1 0 346.214 2.972 20 5 EFBDRO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813507574 1285950704 /nfs/dbraw/zinc/95/07/04/1285950704.db2.gz OCMTXPILFHTPRD-UHFFFAOYSA-N 1 0 334.203 2.925 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CN(CC(F)(F)F)C1)CC2 ZINC001172904782 1286308885 /nfs/dbraw/zinc/30/88/85/1286308885.db2.gz GCXQLMNFFOLHIZ-ZDUSSCGKSA-N 1 0 343.349 2.678 20 5 EFBDRO Cc1cnc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172895445 1286327112 /nfs/dbraw/zinc/32/71/12/1286327112.db2.gz DLQYHBOUNWTUNW-MRXNPFEDSA-N 1 0 326.400 2.773 20 5 EFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172912155 1286353240 /nfs/dbraw/zinc/35/32/40/1286353240.db2.gz IZQXKCRMXNVQRM-MJEQTWJJSA-N 1 0 332.400 2.583 20 5 EFBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172912156 1286353512 /nfs/dbraw/zinc/35/35/12/1286353512.db2.gz IZQXKCRMXNVQRM-NUTKFTJISA-N 1 0 332.400 2.583 20 5 EFBDRO COC(=O)CC[N@H+](C1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912686 1286353777 /nfs/dbraw/zinc/35/37/77/1286353777.db2.gz LGZYBUOXRWRHCT-OAHLLOKOSA-N 1 0 332.400 2.870 20 5 EFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000814169268 1286373414 /nfs/dbraw/zinc/37/34/14/1286373414.db2.gz FWMDWSFIJOGMEX-UHFFFAOYSA-N 1 0 328.796 2.781 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008463 1286381812 /nfs/dbraw/zinc/38/18/12/1286381812.db2.gz AUZMAXIKIVKSNF-AULYBMBSSA-N 1 0 341.358 2.609 20 5 EFBDRO CC[C@@H](COC)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010565 1286382021 /nfs/dbraw/zinc/38/20/21/1286382021.db2.gz YIHJQMRPCKYCFU-NSHDSACASA-N 1 0 343.374 2.856 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cnco3)CC2)c(F)c1 ZINC001173011649 1286382727 /nfs/dbraw/zinc/38/27/27/1286382727.db2.gz IENDKJCWCLABAR-UHFFFAOYSA-N 1 0 338.314 2.620 20 5 EFBDRO CCC[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011300 1286383151 /nfs/dbraw/zinc/38/31/51/1286383151.db2.gz YKWJOYWRVRUMKN-GFCCVEGCSA-N 1 0 343.374 2.592 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cocn3)CC2)c(F)c1 ZINC001173011275 1286383401 /nfs/dbraw/zinc/38/34/01/1286383401.db2.gz XPNGJYDZWCPGBE-UHFFFAOYSA-N 1 0 338.314 2.620 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1F ZINC001173175422 1286451282 /nfs/dbraw/zinc/45/12/82/1286451282.db2.gz BXDZPHUFMJWXLG-QKCSRTOESA-N 1 0 326.368 2.567 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ccn1 ZINC001173177421 1286452541 /nfs/dbraw/zinc/45/25/41/1286452541.db2.gz UPASWNNXYNDLJQ-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c1F ZINC001173177495 1286452546 /nfs/dbraw/zinc/45/25/46/1286452546.db2.gz AZMWWYUAGVYATF-SRVKXCTJSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2nccs2)c1F ZINC001173175950 1286452752 /nfs/dbraw/zinc/45/27/52/1286452752.db2.gz VYFUCPSSWFCGNE-SNVBAGLBSA-N 1 0 339.392 2.962 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C(C)C)C2)c1F ZINC001173179206 1286453361 /nfs/dbraw/zinc/45/33/61/1286453361.db2.gz NYKLSXBAEOXAMK-STQMWFEESA-N 1 0 339.411 2.746 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H](O)CC[C@H]2C)c1F ZINC001173179011 1286453615 /nfs/dbraw/zinc/45/36/15/1286453615.db2.gz CZDPQQYCHKCENC-GRYCIOLGSA-N 1 0 326.368 2.519 20 5 EFBDRO CCN1CCC([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178835 1286453633 /nfs/dbraw/zinc/45/36/33/1286453633.db2.gz MTAMAPWJGAGEMI-GFCCVEGCSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](CO)CC2)c1F ZINC001173180049 1286454562 /nfs/dbraw/zinc/45/45/62/1286454562.db2.gz ICRXHIQWTZNJMR-QWHCGFSZSA-N 1 0 340.395 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)CN2CCCC2)c1F ZINC001173179373 1286455436 /nfs/dbraw/zinc/45/54/36/1286455436.db2.gz PDBFNIUNFMXANU-QWHCGFSZSA-N 1 0 339.411 2.747 20 5 EFBDRO COC(=O)CCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185308 1286456047 /nfs/dbraw/zinc/45/60/47/1286456047.db2.gz XWEGHAQFUZAVKE-LLVKDONJSA-N 1 0 342.367 2.606 20 5 EFBDRO COC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182762 1286456275 /nfs/dbraw/zinc/45/62/75/1286456275.db2.gz TVKIXWNOPWLLBZ-NEPJUHHUSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1F ZINC001173182769 1286456445 /nfs/dbraw/zinc/45/64/45/1286456445.db2.gz TWBOBQMCIZMQEB-NVGCLXPQSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(F)n2)c1F ZINC001173183640 1286456753 /nfs/dbraw/zinc/45/67/53/1286456753.db2.gz COSZUZCEUHTERX-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CC(C)(C)O2)c1F ZINC001173190379 1286457670 /nfs/dbraw/zinc/45/76/70/1286457670.db2.gz WTYICSZLNNNAQR-GHMZBOCLSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2CO)c1F ZINC001173190369 1286457740 /nfs/dbraw/zinc/45/77/40/1286457740.db2.gz WKRBQSMHEFCCOO-GFCCVEGCSA-N 1 0 348.374 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnc(C)nc2)c1F ZINC001173189405 1286458055 /nfs/dbraw/zinc/45/80/55/1286458055.db2.gz PBAFYJSIMAAGLP-SNVBAGLBSA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(F)CCOCC2)c1F ZINC001173190374 1286458104 /nfs/dbraw/zinc/45/81/04/1286458104.db2.gz WODQNABFYYGXBA-NSHDSACASA-N 1 0 344.358 2.782 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1F ZINC001173190874 1286458236 /nfs/dbraw/zinc/45/82/36/1286458236.db2.gz ILFMQBVZZQWRKK-GVXVVHGQSA-N 1 0 326.368 2.688 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(F)cn2)c1F ZINC001173191542 1286458240 /nfs/dbraw/zinc/45/82/40/1286458240.db2.gz MMQAJBCLJPHTKP-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cnccn2)c1F ZINC001173191443 1286458262 /nfs/dbraw/zinc/45/82/62/1286458262.db2.gz LGXWPRKDPXEDDJ-MNOVXSKESA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CCCOC2)c1F ZINC001173193811 1286458863 /nfs/dbraw/zinc/45/88/63/1286458863.db2.gz QYBDJBKYDGAPOL-RYUDHWBXSA-N 1 0 326.368 2.784 20 5 EFBDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192565 1286458977 /nfs/dbraw/zinc/45/89/77/1286458977.db2.gz MAUAERCSYAUEMX-NWDGAFQWSA-N 1 0 326.368 2.784 20 5 EFBDRO CCO[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192567 1286459350 /nfs/dbraw/zinc/45/93/50/1286459350.db2.gz MAUAERCSYAUEMX-VXGBXAGGSA-N 1 0 326.368 2.784 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822717479 1289076090 /nfs/dbraw/zinc/07/60/90/1289076090.db2.gz ZTHSLDBLLOREJU-ZIAGYGMSSA-N 1 0 327.469 2.695 20 5 EFBDRO Cc1cccc(C)c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134226927 1286472613 /nfs/dbraw/zinc/47/26/13/1286472613.db2.gz VTNDKCLQQQCCSD-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173219948 1286473789 /nfs/dbraw/zinc/47/37/89/1286473789.db2.gz ABIIWWSRGGRTQA-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C)C1=O ZINC001173225220 1286479959 /nfs/dbraw/zinc/47/99/59/1286479959.db2.gz MZYBAUUUQQZZGB-DOXZYTNZSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001173225579 1286480778 /nfs/dbraw/zinc/48/07/78/1286480778.db2.gz SDVSFSXQVIZJAG-OAHLLOKOSA-N 1 0 340.427 2.871 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001173225785 1286481037 /nfs/dbraw/zinc/48/10/37/1286481037.db2.gz GFQIMZZWKWSONK-CQSZACIVSA-N 1 0 345.443 2.907 20 5 EFBDRO COc1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173227443 1286482303 /nfs/dbraw/zinc/48/23/03/1286482303.db2.gz FTSNFCYQPJZUIC-ACJLOTCBSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN1CCOCC1)C(C)(C)C ZINC001173229566 1286482325 /nfs/dbraw/zinc/48/23/25/1286482325.db2.gz NNTLZZYHSXUPOB-MAUKXSAKSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001173228396 1286482369 /nfs/dbraw/zinc/48/23/69/1286482369.db2.gz VVSRNQRRFAFVOL-WBVHZDCISA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001173228112 1286482400 /nfs/dbraw/zinc/48/24/00/1286482400.db2.gz HPQXYRDTEUDYDG-LBPRGKRZSA-N 1 0 341.367 2.647 20 5 EFBDRO COc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173232704 1286482792 /nfs/dbraw/zinc/48/27/92/1286482792.db2.gz FTSNFCYQPJZUIC-FZKQIMNGSA-N 1 0 330.384 2.858 20 5 EFBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230221 1286483011 /nfs/dbraw/zinc/48/30/11/1286483011.db2.gz CYBGQYVOAQQHOU-KSSFIOAISA-N 1 0 333.432 2.857 20 5 EFBDRO CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230219 1286483356 /nfs/dbraw/zinc/48/33/56/1286483356.db2.gz CYBGQYVOAQQHOU-KBXCAEBGSA-N 1 0 333.432 2.857 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC001173231840 1286483503 /nfs/dbraw/zinc/48/35/03/1286483503.db2.gz NPGDPYYYPKBCPR-CQSZACIVSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1nccs1 ZINC001173235432 1286483830 /nfs/dbraw/zinc/48/38/30/1286483830.db2.gz SVCDKEXPOTZJOF-LLVKDONJSA-N 1 0 334.401 2.601 20 5 EFBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234550 1286484066 /nfs/dbraw/zinc/48/40/66/1286484066.db2.gz PJVNSSSHXUDSPN-WMLDXEAASA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001173234088 1286484235 /nfs/dbraw/zinc/48/42/35/1286484235.db2.gz MHMJCLGNECKCBR-ICXUMSERSA-N 1 0 345.443 2.954 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NC1CCCCC1 ZINC001173233493 1286484268 /nfs/dbraw/zinc/48/42/68/1286484268.db2.gz JHYZBFXZJWNRKL-AWEZNQCLSA-N 1 0 333.432 2.954 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001173233357 1286484397 /nfs/dbraw/zinc/48/43/97/1286484397.db2.gz LFZDBHATFOTNPZ-ZDUSSCGKSA-N 1 0 339.386 2.941 20 5 EFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234148 1286484565 /nfs/dbraw/zinc/48/45/65/1286484565.db2.gz NSWYFJHLSWOKDG-YOEHRIQHSA-N 1 0 344.411 2.728 20 5 EFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173212649 1286486736 /nfs/dbraw/zinc/48/67/36/1286486736.db2.gz CAYNHDDSNLILAJ-AWEZNQCLSA-N 1 0 333.432 2.762 20 5 EFBDRO Cc1cnc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173238588 1286496092 /nfs/dbraw/zinc/49/60/92/1286496092.db2.gz VVGLUOOQBSEUDY-YOEHRIQHSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001173238238 1286496303 /nfs/dbraw/zinc/49/63/03/1286496303.db2.gz OSYFETNHJVMPQH-CQSZACIVSA-N 1 0 331.416 2.613 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001134335060 1286582208 /nfs/dbraw/zinc/58/22/08/1286582208.db2.gz YQAGDUDZOFAPNZ-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CCOc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001134384591 1286630585 /nfs/dbraw/zinc/63/05/85/1286630585.db2.gz DWATXHOJDOBSML-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095228484 1286712106 /nfs/dbraw/zinc/71/21/06/1286712106.db2.gz JMTYDPFVEITVEK-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001095233524 1286721113 /nfs/dbraw/zinc/72/11/13/1286721113.db2.gz AXZJRNQBKURKCM-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[NH+](C)CCCC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095269728 1286843954 /nfs/dbraw/zinc/84/39/54/1286843954.db2.gz JLIWIZNGYSWKHZ-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2cc3nc4ccccc4nc3cc2N)cn1 ZINC001176446928 1287986565 /nfs/dbraw/zinc/98/65/65/1287986565.db2.gz FEEAQXYKXDHGIN-UHFFFAOYSA-N 1 0 347.426 2.867 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000822896269 1289159148 /nfs/dbraw/zinc/15/91/48/1289159148.db2.gz JYZYRAYQGIAIJC-MRXNPFEDSA-N 1 0 339.480 2.792 20 5 EFBDRO CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177313559 1288383320 /nfs/dbraw/zinc/38/33/20/1288383320.db2.gz CPOQSIYNIWBAMO-IAGOWNOFSA-N 1 0 339.480 2.696 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000817411109 1288590550 /nfs/dbraw/zinc/59/05/50/1288590550.db2.gz NBRAIMLMCWBFHM-UMSPYCQHSA-N 1 0 325.796 2.630 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000817419844 1288594157 /nfs/dbraw/zinc/59/41/57/1288594157.db2.gz LCGSATNIFNKYTN-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817494121 1288618363 /nfs/dbraw/zinc/61/83/63/1288618363.db2.gz IJHNVPQQQOPEHP-LLVKDONJSA-N 1 0 325.796 2.723 20 5 EFBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2c2ccccc21 ZINC001170874764 1288695465 /nfs/dbraw/zinc/69/54/65/1288695465.db2.gz MUTZHVYWNIGYLP-SJLPKXTDSA-N 1 0 335.407 2.951 20 5 EFBDRO CN1CC[C@@]2(CC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001277648418 1312675835 /nfs/dbraw/zinc/67/58/35/1312675835.db2.gz KRHKJWIFVLSGAY-NRFANRHFSA-N 1 0 346.434 2.837 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822187618 1288902352 /nfs/dbraw/zinc/90/23/52/1288902352.db2.gz DZKXYAHEBHNKFT-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000822457367 1288997116 /nfs/dbraw/zinc/99/71/16/1288997116.db2.gz JCSHKPUOGILRRP-KRWDZBQOSA-N 1 0 347.459 2.775 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)c1 ZINC000823088074 1289207965 /nfs/dbraw/zinc/20/79/65/1289207965.db2.gz HCRYNWUUAQZWBZ-BONVTDFDSA-N 1 0 334.376 2.664 20 5 EFBDRO CC(C)(CCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[N+](=O)[O-] ZINC000823133819 1289219708 /nfs/dbraw/zinc/21/97/08/1289219708.db2.gz VLWSLYCIDPBESN-UHFFFAOYSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000823219187 1289246498 /nfs/dbraw/zinc/24/64/98/1289246498.db2.gz WJXGHCGMBZEECT-HNNXBMFYSA-N 1 0 341.411 2.947 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000823219111 1289246710 /nfs/dbraw/zinc/24/67/10/1289246710.db2.gz VUEBSSRLDMUBOB-GFCCVEGCSA-N 1 0 331.416 2.768 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823243856 1289261209 /nfs/dbraw/zinc/26/12/09/1289261209.db2.gz OFVMNFWJSSSRSY-AWEZNQCLSA-N 1 0 327.469 2.839 20 5 EFBDRO C[C@@H]1CC[C@H](C)N1CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803487496 1312698633 /nfs/dbraw/zinc/69/86/33/1312698633.db2.gz HFLCZGPDJIFZOY-AOOOYVTPSA-N 1 0 328.315 2.789 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000823500293 1289323525 /nfs/dbraw/zinc/32/35/25/1289323525.db2.gz WHNMZCNDUDVKBG-YESZJQIVSA-N 1 0 331.416 2.641 20 5 EFBDRO CNC(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000805828233 1289338212 /nfs/dbraw/zinc/33/82/12/1289338212.db2.gz DPNUSQQCZKFVKC-CYBMUJFWSA-N 1 0 341.795 2.959 20 5 EFBDRO CNC(=O)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000805828234 1289339070 /nfs/dbraw/zinc/33/90/70/1289339070.db2.gz DPNUSQQCZKFVKC-ZDUSSCGKSA-N 1 0 341.795 2.959 20 5 EFBDRO Nc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823961882 1289491458 /nfs/dbraw/zinc/49/14/58/1289491458.db2.gz MFMLIJSCTQYWOO-CYBMUJFWSA-N 1 0 347.419 2.517 20 5 EFBDRO CC(C)(CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000824008921 1289499762 /nfs/dbraw/zinc/49/97/62/1289499762.db2.gz YLSZZEVQYZBQJM-UHFFFAOYSA-N 1 0 335.408 2.563 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823985594 1289506618 /nfs/dbraw/zinc/50/66/18/1289506618.db2.gz BRJBXGZAWBBQJL-UHFFFAOYSA-N 1 0 335.408 2.563 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000823986825 1289506655 /nfs/dbraw/zinc/50/66/55/1289506655.db2.gz MSJPAQYORLTLFG-UHFFFAOYSA-N 1 0 337.424 2.807 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823998571 1289510878 /nfs/dbraw/zinc/51/08/78/1289510878.db2.gz RHKNBXIRIJJCOX-UHFFFAOYSA-N 1 0 335.408 2.515 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824002930 1289512862 /nfs/dbraw/zinc/51/28/62/1289512862.db2.gz JCCMHBLEZZJVHI-CYBMUJFWSA-N 1 0 349.435 2.953 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000873011291 1289517632 /nfs/dbraw/zinc/51/76/32/1289517632.db2.gz WOZBYEOXLKMQGU-OAHLLOKOSA-N 1 0 326.400 2.957 20 5 EFBDRO Cc1c(C[NH2+]CCCc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000873037380 1289533374 /nfs/dbraw/zinc/53/33/74/1289533374.db2.gz AGTYZGCRIAKVPX-UHFFFAOYSA-N 1 0 343.431 2.944 20 5 EFBDRO COC1CCN(C(C)(C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873048358 1289539735 /nfs/dbraw/zinc/53/97/35/1289539735.db2.gz YJQDKRZVSRSZAB-UHFFFAOYSA-N 1 0 335.448 2.882 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824115259 1289547500 /nfs/dbraw/zinc/54/75/00/1289547500.db2.gz PKEXBIWRAWEQDK-SJORKVTESA-N 1 0 331.416 2.643 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824115258 1289547526 /nfs/dbraw/zinc/54/75/26/1289547526.db2.gz PKEXBIWRAWEQDK-IRXDYDNUSA-N 1 0 331.416 2.643 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873126407 1289581761 /nfs/dbraw/zinc/58/17/61/1289581761.db2.gz QZPROOWQOGONKL-UHFFFAOYSA-N 1 0 335.404 2.780 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873130238 1289586136 /nfs/dbraw/zinc/58/61/36/1289586136.db2.gz BJUBZXJTYJXHLW-INIZCTEOSA-N 1 0 330.384 2.778 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000873132342 1289587714 /nfs/dbraw/zinc/58/77/14/1289587714.db2.gz PPIBFAIGMLGUFR-UHFFFAOYSA-N 1 0 336.432 2.869 20 5 EFBDRO Cc1c(C[NH2+]CC[C@@H](O)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873144305 1289598209 /nfs/dbraw/zinc/59/82/09/1289598209.db2.gz DCRCGDPCADCFAX-GOSISDBHSA-N 1 0 344.411 2.961 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824369650 1289632184 /nfs/dbraw/zinc/63/21/84/1289632184.db2.gz XPOZKNUUBLHJBE-BSDSXHPESA-N 1 0 343.427 2.831 20 5 EFBDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873193331 1289632183 /nfs/dbraw/zinc/63/21/83/1289632183.db2.gz NUUCUXLWVRUREP-NIKGAXFTSA-N 1 0 344.411 2.518 20 5 EFBDRO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CCO1 ZINC001181588310 1289860793 /nfs/dbraw/zinc/86/07/93/1289860793.db2.gz NTBPSQSYIHFNCT-KRWDZBQOSA-N 1 0 337.379 2.684 20 5 EFBDRO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CCO1 ZINC001181588316 1289861098 /nfs/dbraw/zinc/86/10/98/1289861098.db2.gz NTBPSQSYIHFNCT-QGZVFWFLSA-N 1 0 337.379 2.684 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000825699910 1290072406 /nfs/dbraw/zinc/07/24/06/1290072406.db2.gz KWMUBLHTQPWJMO-LBPRGKRZSA-N 1 0 337.807 2.867 20 5 EFBDRO C[NH+](C)[C@H]1C[C@@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001183374518 1290343445 /nfs/dbraw/zinc/34/34/45/1290343445.db2.gz ARNMQICDQPIGEN-OKILXGFUSA-N 1 0 335.407 2.669 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000875469855 1290536298 /nfs/dbraw/zinc/53/62/98/1290536298.db2.gz CEZAKMRGUZHTLB-HOCLYGCPSA-N 1 0 331.416 2.768 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1nccc1-c1cccnc1 ZINC000795643300 1290796538 /nfs/dbraw/zinc/79/65/38/1290796538.db2.gz CYSVSSQGRCTPFY-UHFFFAOYSA-N 1 0 337.383 2.985 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000825869368 1290893877 /nfs/dbraw/zinc/89/38/77/1290893877.db2.gz ZBSPSXRFTISLOL-UHFFFAOYSA-N 1 0 325.453 2.545 20 5 EFBDRO COc1ncnc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)c1[N+](=O)[O-] ZINC001166654549 1312811952 /nfs/dbraw/zinc/81/19/52/1312811952.db2.gz TZAWUAFLICRTBF-GFCCVEGCSA-N 1 0 339.355 2.762 20 5 EFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc2ccc3cccnc3c2n1 ZINC001166699931 1312823739 /nfs/dbraw/zinc/82/37/39/1312823739.db2.gz DODNJXTUVXKDJW-OAHLLOKOSA-N 1 0 342.406 2.873 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000876731126 1290993085 /nfs/dbraw/zinc/99/30/85/1290993085.db2.gz NMVJWMQJMUFABR-UHFFFAOYSA-N 1 0 347.459 2.756 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000876814521 1291031555 /nfs/dbraw/zinc/03/15/55/1291031555.db2.gz OFICFQGHSSHLLD-UHFFFAOYSA-N 1 0 329.404 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876846037 1291045556 /nfs/dbraw/zinc/04/55/56/1291045556.db2.gz LTKITNZTXDGRAE-INIZCTEOSA-N 1 0 339.395 2.828 20 5 EFBDRO CS[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877067970 1291124197 /nfs/dbraw/zinc/12/41/97/1291124197.db2.gz KLJIAEISMCIXJQ-ZFWWWQNUSA-N 1 0 336.461 2.832 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339406 1291198764 /nfs/dbraw/zinc/19/87/64/1291198764.db2.gz ZKVPPSCQXGDRDB-MRXNPFEDSA-N 1 0 339.395 2.656 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000877486415 1291245577 /nfs/dbraw/zinc/24/55/77/1291245577.db2.gz MHZHYMHBMKILTJ-YEWWUXTCSA-N 1 0 334.416 2.980 20 5 EFBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000795703154 1291268265 /nfs/dbraw/zinc/26/82/65/1291268265.db2.gz MUEYLRPEOXFJJS-CZUORRHYSA-N 1 0 343.431 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000877642737 1291303565 /nfs/dbraw/zinc/30/35/65/1291303565.db2.gz SHCPOUZKMBJFRQ-OAHLLOKOSA-N 1 0 340.301 2.878 20 5 EFBDRO CC(F)(F)C1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001166838844 1312851429 /nfs/dbraw/zinc/85/14/29/1312851429.db2.gz QRUHDMTVRFVJKF-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000877947244 1291427056 /nfs/dbraw/zinc/42/70/56/1291427056.db2.gz LSEYIRHYINDONA-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCOC1 ZINC000877973620 1291433485 /nfs/dbraw/zinc/43/34/85/1291433485.db2.gz VSMSSGNMXGJNNI-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC001166899986 1312863181 /nfs/dbraw/zinc/86/31/81/1312863181.db2.gz GRBPPKYXHKAJGN-CQSZACIVSA-N 1 0 327.388 2.506 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166903458 1312863972 /nfs/dbraw/zinc/86/39/72/1312863972.db2.gz TYGRFNVEBCTZIG-SECBINFHSA-N 1 0 346.218 2.660 20 5 EFBDRO [NH3+]C[C@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)CCO1 ZINC001166940473 1312869484 /nfs/dbraw/zinc/86/94/84/1312869484.db2.gz IKVBWKIUPCFJBN-ZDUSSCGKSA-N 1 0 328.803 2.600 20 5 EFBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001166959254 1312872170 /nfs/dbraw/zinc/87/21/70/1312872170.db2.gz CRVLQVABGHRIDH-GFCCVEGCSA-N 1 0 330.363 2.842 20 5 EFBDRO [NH3+][C@H]1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1(F)F ZINC001166958572 1312872199 /nfs/dbraw/zinc/87/21/99/1312872199.db2.gz FNPCPGUWBUIAPA-NSHDSACASA-N 1 0 342.733 2.969 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878511205 1291698077 /nfs/dbraw/zinc/69/80/77/1291698077.db2.gz BGYQTZXEBUPFHS-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H]2[C@@H]2CCCO2)o1 ZINC000878573814 1291721153 /nfs/dbraw/zinc/72/11/53/1291721153.db2.gz WFXYKHSYWMIXMX-GJZGRUSLSA-N 1 0 344.371 2.788 20 5 EFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743382 1291772286 /nfs/dbraw/zinc/77/22/86/1291772286.db2.gz FTAZIYQYCCPJBR-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1F ZINC000878870355 1291836745 /nfs/dbraw/zinc/83/67/45/1291836745.db2.gz ZHFAGRILLLOMKS-JKSUJKDBSA-N 1 0 338.379 2.534 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000879519424 1292167507 /nfs/dbraw/zinc/16/75/07/1292167507.db2.gz SYEMWEBTUHTMPC-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2)cc1 ZINC000879521483 1292169950 /nfs/dbraw/zinc/16/99/50/1292169950.db2.gz NXBKTHYEDBGAEY-IBGZPJMESA-N 1 0 341.411 2.792 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529207 1292173458 /nfs/dbraw/zinc/17/34/58/1292173458.db2.gz KCLNJAHFWSJGJU-OKILXGFUSA-N 1 0 345.399 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000775387324 1292177214 /nfs/dbraw/zinc/17/72/14/1292177214.db2.gz XBDOLBYPXHOYJV-TUVASFSCSA-N 1 0 340.470 2.597 20 5 EFBDRO COCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000879710790 1292239185 /nfs/dbraw/zinc/23/91/85/1292239185.db2.gz LIFPWWGTEYMXKH-UHFFFAOYSA-N 1 0 330.331 2.500 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCN(C(=O)CC(C)C)CC1 ZINC000879761794 1292259850 /nfs/dbraw/zinc/25/98/50/1292259850.db2.gz RGNMWNFLAWVECY-UHFFFAOYSA-N 1 0 349.431 2.684 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](CF)C1 ZINC000880295148 1292440180 /nfs/dbraw/zinc/44/01/80/1292440180.db2.gz PLRXSRVFDAJCGR-NXEZZACHSA-N 1 0 329.759 2.867 20 5 EFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000880461586 1292506835 /nfs/dbraw/zinc/50/68/35/1292506835.db2.gz JBZTUGDBCNXWIW-QZTJIDSGSA-N 1 0 330.384 2.684 20 5 EFBDRO Nc1cn(-c2ccc([N+](=O)[O-])nc2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001203570315 1312959300 /nfs/dbraw/zinc/95/93/00/1312959300.db2.gz WRZUNUKLLOWVQR-UHFFFAOYSA-N 1 0 325.303 2.648 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233698332 1312974561 /nfs/dbraw/zinc/97/45/61/1312974561.db2.gz KBZZDFAIHQKLFU-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(Cl)cnc3[N+](=O)[O-])O2)CC1 ZINC001233712211 1312976597 /nfs/dbraw/zinc/97/65/97/1312976597.db2.gz CHHXVMBGNQDZOV-LBPRGKRZSA-N 1 0 341.795 2.665 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233733927 1312981343 /nfs/dbraw/zinc/98/13/43/1312981343.db2.gz UPKRPDOHMUKQPV-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000882540102 1293238259 /nfs/dbraw/zinc/23/82/59/1293238259.db2.gz XTMGNTXSKNMYFE-NSHDSACASA-N 1 0 341.358 2.563 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726407 1293298085 /nfs/dbraw/zinc/29/80/85/1293298085.db2.gz SXMJCHUSOCZXLN-OAHLLOKOSA-N 1 0 347.415 2.535 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882725669 1293298450 /nfs/dbraw/zinc/29/84/50/1293298450.db2.gz YIEZZADCMMHGSO-CYBMUJFWSA-N 1 0 339.823 2.986 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCC[NH+]1CCCCC1 ZINC000882986687 1293417627 /nfs/dbraw/zinc/41/76/27/1293417627.db2.gz GNZHZUGZVVQMBJ-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO COCC[NH+]1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233836071 1313002049 /nfs/dbraw/zinc/00/20/49/1313002049.db2.gz GXORLCJJPNMRCY-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO C[N@H+](CCCNC(=O)CCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001233844525 1313003831 /nfs/dbraw/zinc/00/38/31/1313003831.db2.gz WERCKZTZVYZUPV-UHFFFAOYSA-N 1 0 345.399 2.759 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351936624 1313009634 /nfs/dbraw/zinc/00/96/34/1313009634.db2.gz MIGSKJIZJPRRFE-RDTXWAMCSA-N 1 0 349.431 2.571 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)CC1 ZINC001233901194 1313014449 /nfs/dbraw/zinc/01/44/49/1313014449.db2.gz FMRCTHVHQHDRCM-NSHDSACASA-N 1 0 346.343 2.914 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233901944 1313014500 /nfs/dbraw/zinc/01/45/00/1313014500.db2.gz PKUSCXFGWSWNLG-JTQLQIEISA-N 1 0 332.316 2.524 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000884004246 1293867074 /nfs/dbraw/zinc/86/70/74/1293867074.db2.gz NPFISTIJKKQNGI-NSHDSACASA-N 1 0 326.397 2.505 20 5 EFBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000800195496 1293951490 /nfs/dbraw/zinc/95/14/90/1293951490.db2.gz JUMZXNVUBCTGOK-UHFFFAOYSA-N 1 0 344.314 2.839 20 5 EFBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001234061579 1313049533 /nfs/dbraw/zinc/04/95/33/1313049533.db2.gz MYPAGHPWHHDZDD-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1C ZINC000884284316 1294081599 /nfs/dbraw/zinc/08/15/99/1294081599.db2.gz ILSCZMDAUMRZBB-MRXNPFEDSA-N 1 0 339.395 2.828 20 5 EFBDRO O=C(OCc1cccnc1[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000884496504 1294159637 /nfs/dbraw/zinc/15/96/37/1294159637.db2.gz YGANXOAJWVAECF-UHFFFAOYSA-N 1 0 341.367 2.943 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000137327422 1294754453 /nfs/dbraw/zinc/75/44/53/1294754453.db2.gz VBDGXDNNTDOSMO-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)C[C@H]3CCCO3)o2)c1 ZINC000886229561 1294776140 /nfs/dbraw/zinc/77/61/40/1294776140.db2.gz RSQBJOHWBVHEJZ-GDBMZVCRSA-N 1 0 346.383 2.874 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cncc(Br)c2n1 ZINC001234370705 1313114686 /nfs/dbraw/zinc/11/46/86/1313114686.db2.gz MWRIWKPTKISAMK-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1ccccc1[C@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000886435870 1294967027 /nfs/dbraw/zinc/96/70/27/1294967027.db2.gz KVEWZCHSTZZWRP-ROUUACIJSA-N 1 0 330.384 2.602 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000886595103 1295040251 /nfs/dbraw/zinc/04/02/51/1295040251.db2.gz AVNWWQPBMCSLSY-QGZVFWFLSA-N 1 0 333.432 2.716 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001234407966 1313121827 /nfs/dbraw/zinc/12/18/27/1313121827.db2.gz IKTKWDWXCNXUOA-FICVDOATSA-N 1 0 348.399 2.704 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)c1 ZINC001234409303 1313121875 /nfs/dbraw/zinc/12/18/75/1313121875.db2.gz XYWUFTUPUCGSOH-AWEZNQCLSA-N 1 0 336.388 2.564 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234425645 1313126139 /nfs/dbraw/zinc/12/61/39/1313126139.db2.gz XQNNSMWRFOBEHG-GFCCVEGCSA-N 1 0 330.388 2.555 20 5 EFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000887134864 1295287713 /nfs/dbraw/zinc/28/77/13/1295287713.db2.gz RHPFYIYZJXCIBS-LBPRGKRZSA-N 1 0 348.353 2.979 20 5 EFBDRO CCCSCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234521138 1313144839 /nfs/dbraw/zinc/14/48/39/1313144839.db2.gz LVZAMQQHHNROSP-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000826634054 1295731841 /nfs/dbraw/zinc/73/18/41/1295731841.db2.gz XBMQKHQICAXFGN-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO CCN1CCC[C@@H](Oc2c(C(C)=O)ccc(NC(C)=O)c2[N+](=O)[O-])C1 ZINC001234684112 1313182162 /nfs/dbraw/zinc/18/21/62/1313182162.db2.gz OSCDUEUSDVJKQN-CYBMUJFWSA-N 1 0 349.387 2.619 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838366 1295844049 /nfs/dbraw/zinc/84/40/49/1295844049.db2.gz FNOHKJYSWPDRNZ-UHFFFAOYSA-N 1 0 349.456 2.820 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234877113 1313201959 /nfs/dbraw/zinc/20/19/59/1313201959.db2.gz LDFFUGBDXLTENT-SNVBAGLBSA-N 1 0 345.193 2.926 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001234879974 1313202311 /nfs/dbraw/zinc/20/23/11/1313202311.db2.gz UXILONDKYNZCBN-AWEZNQCLSA-N 1 0 329.356 2.652 20 5 EFBDRO CCOC(=O)c1c(=O)[nH]c(C)c(C(C)C)c1O[C@H](C)C[N+](C)(C)C ZINC001234900990 1313205169 /nfs/dbraw/zinc/20/51/69/1313205169.db2.gz XDXUEUOXVMPIDP-GFCCVEGCSA-O 1 0 339.456 2.869 20 5 EFBDRO COc1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1OC ZINC001234912270 1313207224 /nfs/dbraw/zinc/20/72/24/1313207224.db2.gz OETOHFWWQMFNCA-SNVBAGLBSA-N 1 0 333.246 2.940 20 5 EFBDRO CCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000903785487 1313211518 /nfs/dbraw/zinc/21/15/18/1313211518.db2.gz YZWYZPNFCCWHEZ-SNVBAGLBSA-N 1 0 328.210 2.541 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000776154930 1296720674 /nfs/dbraw/zinc/72/06/74/1296720674.db2.gz CRZGCGWFJBUITD-IXDOHACOSA-N 1 0 334.416 2.956 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235254 1296812579 /nfs/dbraw/zinc/81/25/79/1296812579.db2.gz FMKIKHYEMBQGEU-UKPHBRMFSA-N 1 0 346.431 2.782 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001235442421 1313323048 /nfs/dbraw/zinc/32/30/48/1313323048.db2.gz GZFDANUEONMBMC-HXUWFJFHSA-N 1 0 334.419 2.940 20 5 EFBDRO CCC[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000776207623 1297052330 /nfs/dbraw/zinc/05/23/30/1297052330.db2.gz RSGBLKASOYNRDC-KRWDZBQOSA-N 1 0 343.431 2.735 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000929913502 1297215323 /nfs/dbraw/zinc/21/53/23/1297215323.db2.gz NCIDAUKUIMXZFM-ZWKOTPCHSA-N 1 0 343.427 2.785 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000932215026 1297411073 /nfs/dbraw/zinc/41/10/73/1297411073.db2.gz BTPNTKWUZCYBTD-CQSZACIVSA-N 1 0 328.372 2.827 20 5 EFBDRO CC[N@H+](CCC1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC1CC1 ZINC000779867559 1298979759 /nfs/dbraw/zinc/97/97/59/1298979759.db2.gz AVBDDBZCERPADF-UHFFFAOYSA-N 1 0 349.479 2.891 20 5 EFBDRO C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085290182 1298997735 /nfs/dbraw/zinc/99/77/35/1298997735.db2.gz VYTOGYDKMOPOJK-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085291004 1298998975 /nfs/dbraw/zinc/99/89/75/1298998975.db2.gz OPWYTPZKNYOAPJ-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796401073 1299165664 /nfs/dbraw/zinc/16/56/64/1299165664.db2.gz CJBOBRDUUOEBQE-KWQFWETISA-N 1 0 329.809 2.528 20 5 EFBDRO CC1(C)OC[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851790777 1299396242 /nfs/dbraw/zinc/39/62/42/1299396242.db2.gz OSUXFSGWDTZPJN-INIZCTEOSA-N 1 0 336.388 2.590 20 5 EFBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588082 1299642663 /nfs/dbraw/zinc/64/26/63/1299642663.db2.gz KFJCJCSSBVBFEH-OALUTQOASA-N 1 0 344.411 2.992 20 5 EFBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585834 1299652843 /nfs/dbraw/zinc/65/28/43/1299652843.db2.gz AILLNFVTVVTJGO-QGZVFWFLSA-N 1 0 334.372 2.678 20 5 EFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000776586945 1299662651 /nfs/dbraw/zinc/66/26/51/1299662651.db2.gz ROIXWUYUMFQFSL-GVDBMIGSSA-N 1 0 334.416 2.908 20 5 EFBDRO CN(C)c1cccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776591327 1299670788 /nfs/dbraw/zinc/67/07/88/1299670788.db2.gz NAGBUDRAODZLQU-GOSISDBHSA-N 1 0 329.400 2.826 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000776588763 1299683346 /nfs/dbraw/zinc/68/33/46/1299683346.db2.gz BOOSCOSLXIRZPC-KRWDZBQOSA-N 1 0 333.432 2.579 20 5 EFBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605355 1299760066 /nfs/dbraw/zinc/76/00/66/1299760066.db2.gz KSAYAQMPTRRRMU-DNVCBOLYSA-N 1 0 344.411 2.901 20 5 EFBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605360 1299762463 /nfs/dbraw/zinc/76/24/63/1299762463.db2.gz KSAYAQMPTRRRMU-KXBFYZLASA-N 1 0 344.411 2.901 20 5 EFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000852842028 1299910265 /nfs/dbraw/zinc/91/02/65/1299910265.db2.gz VLPPSQHRFGTODV-UHFFFAOYSA-N 1 0 348.447 2.640 20 5 EFBDRO CN(CCOC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503174 1300140698 /nfs/dbraw/zinc/14/06/98/1300140698.db2.gz OHDDZCKFILOMFR-UHFFFAOYSA-N 1 0 333.392 2.558 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000853645736 1300211879 /nfs/dbraw/zinc/21/18/79/1300211879.db2.gz FHNHYRYAKHSUFP-BXKDBHETSA-N 1 0 328.210 2.886 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853666887 1300220688 /nfs/dbraw/zinc/22/06/88/1300220688.db2.gz SXPCJPUOPUCGFX-JTQLQIEISA-N 1 0 342.346 2.746 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc2ccccn21 ZINC000853999409 1300383343 /nfs/dbraw/zinc/38/33/43/1300383343.db2.gz JUOYGOZESSBOJN-CQSZACIVSA-N 1 0 329.404 2.776 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000854736484 1300681609 /nfs/dbraw/zinc/68/16/09/1300681609.db2.gz GLLGXQDTJNLSRE-MTIYJEKLSA-N 1 0 329.400 2.552 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC000854736080 1300682364 /nfs/dbraw/zinc/68/23/64/1300682364.db2.gz BALYDPQOMHSOSB-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854735478 1300682403 /nfs/dbraw/zinc/68/24/03/1300682403.db2.gz QELOWFLPRXKUIP-KRWDZBQOSA-N 1 0 335.379 2.600 20 5 EFBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913577 1300817405 /nfs/dbraw/zinc/81/74/05/1300817405.db2.gz ROENDKRKBRNJLM-YOEHRIQHSA-N 1 0 343.431 2.627 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855159105 1300820190 /nfs/dbraw/zinc/82/01/90/1300820190.db2.gz AWLISKKOBMRXCI-CYBMUJFWSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1F ZINC000855286565 1300890185 /nfs/dbraw/zinc/89/01/85/1300890185.db2.gz TVOLBBKUBGQLFJ-SNVBAGLBSA-N 1 0 341.358 2.784 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000855813538 1301129782 /nfs/dbraw/zinc/12/97/82/1301129782.db2.gz CDUAERAZLGLBIE-GFCCVEGCSA-N 1 0 335.379 2.871 20 5 EFBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246331740 1301158308 /nfs/dbraw/zinc/15/83/08/1301158308.db2.gz SSCJCWVLMGSAOC-IFXJQAMLSA-N 1 0 341.411 2.969 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855897863 1301163812 /nfs/dbraw/zinc/16/38/12/1301163812.db2.gz HTBYKDQFTZHATF-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000856072499 1301223429 /nfs/dbraw/zinc/22/34/29/1301223429.db2.gz BANBQLRLNXMFGT-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790144 1301317154 /nfs/dbraw/zinc/31/71/54/1301317154.db2.gz GBSVCFMYNPZRIT-UOAXPGHYSA-N 1 0 349.475 2.639 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859583156 1301497425 /nfs/dbraw/zinc/49/74/25/1301497425.db2.gz BNUBWVXHGJUDOC-LJQANCHMSA-N 1 0 342.395 2.957 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097034585 1313812681 /nfs/dbraw/zinc/81/26/81/1313812681.db2.gz LZLDIPSKIFNVFR-SHTZXODSSA-N 1 0 346.431 2.530 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861509654 1302148536 /nfs/dbraw/zinc/14/85/36/1302148536.db2.gz GYNIBLQDWFEHBO-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000013861738 1302259260 /nfs/dbraw/zinc/25/92/60/1302259260.db2.gz DCVWTZSLJPJYFB-LJQANCHMSA-N 1 0 341.411 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000013861737 1302259626 /nfs/dbraw/zinc/25/96/26/1302259626.db2.gz DCVWTZSLJPJYFB-IBGZPJMESA-N 1 0 341.411 2.841 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1F ZINC000862792899 1302461071 /nfs/dbraw/zinc/46/10/71/1302461071.db2.gz FNIJHBDRVXXASL-NSHDSACASA-N 1 0 341.358 2.643 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862793221 1302462569 /nfs/dbraw/zinc/46/25/69/1302462569.db2.gz LFNVYWLARFMHBQ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC1(C)CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCS1 ZINC000794644949 1302848985 /nfs/dbraw/zinc/84/89/85/1302848985.db2.gz JOXFDXQAVYLABZ-UHFFFAOYSA-N 1 0 337.401 2.678 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091024745 1302896212 /nfs/dbraw/zinc/89/62/12/1302896212.db2.gz KGPYLNKUQVQXAP-CYBMUJFWSA-N 1 0 335.433 2.884 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864987363 1303112605 /nfs/dbraw/zinc/11/26/05/1303112605.db2.gz LQFPWBDDVFFQHR-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO CC1CC[NH+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865415506 1303244242 /nfs/dbraw/zinc/24/42/42/1303244242.db2.gz LSWHNIKQMTWDHC-UHFFFAOYSA-N 1 0 325.384 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)F)c1 ZINC000865506706 1303288209 /nfs/dbraw/zinc/28/82/09/1303288209.db2.gz SQUFENQGDNWJPI-HUUCEWRRSA-N 1 0 341.358 2.568 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)F)c1 ZINC000865506705 1303288650 /nfs/dbraw/zinc/28/86/50/1303288650.db2.gz SQUFENQGDNWJPI-GJZGRUSLSA-N 1 0 341.358 2.568 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000865628014 1303340790 /nfs/dbraw/zinc/34/07/90/1303340790.db2.gz LRWLNRPNNXXOEC-LRDDRELGSA-N 1 0 349.406 2.679 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865719586 1303378136 /nfs/dbraw/zinc/37/81/36/1303378136.db2.gz VRLAHSLSTHPHPQ-UHFFFAOYSA-N 1 0 325.384 2.538 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000865787986 1303400946 /nfs/dbraw/zinc/40/09/46/1303400946.db2.gz CJBPUXVXVOPASV-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)OC(C)(C)C ZINC000866251604 1303580590 /nfs/dbraw/zinc/58/05/90/1303580590.db2.gz PDKNZLZQPDOJRH-LLVKDONJSA-N 1 0 341.383 2.779 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866303510 1303594767 /nfs/dbraw/zinc/59/47/67/1303594767.db2.gz UBEZLMOGVAZXBO-FZMZJTMJSA-N 1 0 337.395 2.654 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866350457 1303614592 /nfs/dbraw/zinc/61/45/92/1303614592.db2.gz BSEHVPSBSZKVDG-TZMCWYRMSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000866386410 1303620193 /nfs/dbraw/zinc/62/01/93/1303620193.db2.gz FOMPWAFUHNHINC-AKPOMIRLSA-N 1 0 342.436 2.944 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](O)C2CCCC2)n1 ZINC000866639116 1303725808 /nfs/dbraw/zinc/72/58/08/1303725808.db2.gz WMENBSNWSOFJMA-BZUAXINKSA-N 1 0 336.436 2.806 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121194200 1303754221 /nfs/dbraw/zinc/75/42/21/1303754221.db2.gz JAIFALIAFKINTA-UHFFFAOYSA-N 1 0 345.403 2.559 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121229395 1303789888 /nfs/dbraw/zinc/78/98/88/1303789888.db2.gz MSHWYCRQNJEXEC-HNNXBMFYSA-N 1 0 345.447 2.874 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867709940 1303919353 /nfs/dbraw/zinc/91/93/53/1303919353.db2.gz VAPSTRIREZBWMN-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000867927568 1304022446 /nfs/dbraw/zinc/02/24/46/1304022446.db2.gz JGISXHZLDBRTEW-XIKOKIGWSA-N 1 0 345.374 2.828 20 5 EFBDRO C[C@H](CCc1ccccc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943316 1304031564 /nfs/dbraw/zinc/03/15/64/1304031564.db2.gz RGJPUUCNDVHSQB-AUUYWEPGSA-N 1 0 341.411 2.906 20 5 EFBDRO Cc1ccc([C@@H](C)CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867950737 1304038225 /nfs/dbraw/zinc/03/82/25/1304038225.db2.gz ZXIXGTHIICPHBO-IFXJQAMLSA-N 1 0 341.411 2.997 20 5 EFBDRO CCc1ccccc1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951753 1304039251 /nfs/dbraw/zinc/03/92/51/1304039251.db2.gz NFYNTBKGXKAKHF-SFHVURJKSA-N 1 0 327.384 2.648 20 5 EFBDRO Cc1cc(F)ccc1CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956710 1304042896 /nfs/dbraw/zinc/04/28/96/1304042896.db2.gz SDWAAVQNZADXGP-SFHVURJKSA-N 1 0 345.374 2.575 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956797 1304042988 /nfs/dbraw/zinc/04/29/88/1304042988.db2.gz UFYOVFSNIMUQSF-IIAWOOMASA-N 1 0 337.445 2.559 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000867957452 1304044852 /nfs/dbraw/zinc/04/48/52/1304044852.db2.gz NBFFBVMDQZRWFN-BFUOFWGJSA-N 1 0 339.395 2.915 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867982971 1304057191 /nfs/dbraw/zinc/05/71/91/1304057191.db2.gz YQGNEBTUXQGHKN-YQVWRLOYSA-N 1 0 339.395 2.749 20 5 EFBDRO Cc1cc(C)cc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867985278 1304059223 /nfs/dbraw/zinc/05/92/23/1304059223.db2.gz ZHHNBSWWUOGSKO-SFHVURJKSA-N 1 0 327.384 2.702 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000868576357 1304362992 /nfs/dbraw/zinc/36/29/92/1304362992.db2.gz MZJREMWWQRLPAA-UHFFFAOYSA-N 1 0 337.395 2.659 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869225161 1304667238 /nfs/dbraw/zinc/66/72/38/1304667238.db2.gz GGFRVCNRVFNFNR-LBPRGKRZSA-N 1 0 337.395 2.513 20 5 EFBDRO COc1cccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000870954782 1305707106 /nfs/dbraw/zinc/70/71/06/1305707106.db2.gz KBZZUEQGJNOXIQ-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870963205 1305712759 /nfs/dbraw/zinc/71/27/59/1305712759.db2.gz VUZJTJWDDZSSRI-DYVFJYSZSA-N 1 0 327.384 2.856 20 5 EFBDRO Cc1ccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870963204 1305713482 /nfs/dbraw/zinc/71/34/82/1305713482.db2.gz VUZJTJWDDZSSRI-CXAGYDPISA-N 1 0 327.384 2.856 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000870977488 1305723178 /nfs/dbraw/zinc/72/31/78/1305723178.db2.gz HDWMTWHEOBOERQ-LMKPVCQUSA-N 1 0 335.429 2.577 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976994 1305723622 /nfs/dbraw/zinc/72/36/22/1305723622.db2.gz CZANDZIWBSQKFT-FQUUOJAGSA-N 1 0 349.456 2.722 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000796537505 1306171398 /nfs/dbraw/zinc/17/13/98/1306171398.db2.gz JTRBYCHBWZLZCU-UHFFFAOYSA-N 1 0 343.330 2.663 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCSC(F)(F)F)OCCO2 ZINC000748819621 1314136329 /nfs/dbraw/zinc/13/63/29/1314136329.db2.gz JRNCLJNINZURLR-UHFFFAOYSA-N 1 0 338.307 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217971492 1315127082 /nfs/dbraw/zinc/12/70/82/1315127082.db2.gz ILWNANZUUBMATO-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO CC1(NC(=O)c2cc[nH]c2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045445611 1307342992 /nfs/dbraw/zinc/34/29/92/1307342992.db2.gz DQYBODVHRCICCB-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO CC(C)[NH+](Cc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1)C(C)C ZINC000900526428 1308260534 /nfs/dbraw/zinc/26/05/34/1308260534.db2.gz ZEQRYLVFLYARGG-UHFFFAOYSA-N 1 0 347.419 2.884 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900633426 1308442659 /nfs/dbraw/zinc/44/26/59/1308442659.db2.gz LSRTULCTUZNJMQ-UHFFFAOYSA-N 1 0 329.759 2.555 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000800858276 1308560242 /nfs/dbraw/zinc/56/02/42/1308560242.db2.gz HHAGJIHVUFIMGU-CQSZACIVSA-N 1 0 340.387 2.515 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001209936850 1314261888 /nfs/dbraw/zinc/26/18/88/1314261888.db2.gz WXNJZIOGTLUFNI-UHFFFAOYSA-N 1 0 327.388 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOC(F)F)CC2)cc1 ZINC000800990690 1308786755 /nfs/dbraw/zinc/78/67/55/1308786755.db2.gz XHHMSSPMHMUKPG-UHFFFAOYSA-N 1 0 329.347 2.783 20 5 EFBDRO COc1ncc(Nc2cc(C)nn2-c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001210137307 1314286693 /nfs/dbraw/zinc/28/66/93/1314286693.db2.gz WHTDDAIDJQFVOM-UHFFFAOYSA-N 1 0 326.316 2.631 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000901271350 1310018305 /nfs/dbraw/zinc/01/83/05/1310018305.db2.gz MMLVPWKJPPGDJV-NXEZZACHSA-N 1 0 343.786 2.942 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000801602062 1310582889 /nfs/dbraw/zinc/58/28/89/1310582889.db2.gz UZAGAAHOKCIFFI-UHFFFAOYSA-N 1 0 335.404 2.688 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749649647 1311035890 /nfs/dbraw/zinc/03/58/90/1311035890.db2.gz XUEXILZVVMBFFI-ZWKOTPCHSA-N 1 0 329.400 2.521 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749649645 1311036133 /nfs/dbraw/zinc/03/61/33/1311036133.db2.gz XUEXILZVVMBFFI-ROUUACIJSA-N 1 0 329.400 2.521 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801873619 1311040500 /nfs/dbraw/zinc/04/05/00/1311040500.db2.gz WHOPGFVMLDKQHY-UHFFFAOYSA-N 1 0 340.399 2.558 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801874007 1311042348 /nfs/dbraw/zinc/04/23/48/1311042348.db2.gz FAMQJSFYJDZKRJ-UHFFFAOYSA-N 1 0 334.372 2.521 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000750171971 1311050752 /nfs/dbraw/zinc/05/07/52/1311050752.db2.gz SKBIVQWKXHNDAF-OAHLLOKOSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(CC1CC1)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222236531 1311103502 /nfs/dbraw/zinc/10/35/02/1311103502.db2.gz HGCFFPNTQMUQEC-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO C/C=C(\C)C(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222756937 1311180541 /nfs/dbraw/zinc/18/05/41/1311180541.db2.gz VLXLWRUSDAQDFD-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO COC(=O)c1c(COC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC001223294448 1311239207 /nfs/dbraw/zinc/23/92/07/1311239207.db2.gz LZOIDDNCDCLJKL-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223427771 1311259029 /nfs/dbraw/zinc/25/90/29/1311259029.db2.gz UTLCLAPNNNOUAM-QUJYTELESA-N 1 0 348.399 2.839 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223490278 1311267769 /nfs/dbraw/zinc/26/77/69/1311267769.db2.gz RSZBEFBAUKSDAX-YWVIFJGQSA-N 1 0 335.360 2.750 20 5 EFBDRO COC(=O)[C@@H](O[C@H]1CC[C@H]([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223643964 1311285935 /nfs/dbraw/zinc/28/59/35/1311285935.db2.gz RGOWTCXWYTVQPQ-XEZPLFJOSA-N 1 0 336.388 2.698 20 5 EFBDRO COCCC[NH+]1CCC(OCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001223647526 1311287017 /nfs/dbraw/zinc/28/70/17/1311287017.db2.gz CEFRUXDJWJDMRI-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO COC(=O)[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC001223648497 1311287025 /nfs/dbraw/zinc/28/70/25/1311287025.db2.gz NJIMUXZYJDQQDQ-IXKJSCDLSA-N 1 0 348.399 2.556 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223965596 1311326704 /nfs/dbraw/zinc/32/67/04/1311326704.db2.gz CYDVCMAPGPIBOI-HNNXBMFYSA-N 1 0 336.388 2.771 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001224027127 1311333655 /nfs/dbraw/zinc/33/36/55/1311333655.db2.gz UPNDIMWPXFHSEF-PXALQNAGSA-N 1 0 348.399 2.839 20 5 EFBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224104937 1311342571 /nfs/dbraw/zinc/34/25/71/1311342571.db2.gz UWPDQLLHTAEBCL-SMDDNHRTSA-N 1 0 345.257 2.511 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCC2(NC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001103455540 1311358927 /nfs/dbraw/zinc/35/89/27/1311358927.db2.gz GJIDTLORKMXIDQ-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO COc1ncnc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c1[N+](=O)[O-] ZINC001158731506 1311375928 /nfs/dbraw/zinc/37/59/28/1311375928.db2.gz XZFOWBPVLATQOD-GFCCVEGCSA-N 1 0 329.360 2.634 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)nc1Cl ZINC001158748600 1311379838 /nfs/dbraw/zinc/37/98/38/1311379838.db2.gz FMVINWNOBQVBSJ-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO [NH3+]CCc1cn(-c2nccc3cc([N+](=O)[O-])ccc32)c2cccnc12 ZINC001158754481 1311381044 /nfs/dbraw/zinc/38/10/44/1311381044.db2.gz XIIJILNAJHXKCE-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](OCCC[N+](C)(C)C)[C@@H]2C1 ZINC001224620722 1311414590 /nfs/dbraw/zinc/41/45/90/1311414590.db2.gz BXTQUMPJINSNCE-ARFHVFGLSA-N 1 0 327.489 2.745 20 5 EFBDRO CCCCOC(=O)C[C@@H](OCCC[N+](C)(C)C)C(=O)OCCCC ZINC001224623685 1311415398 /nfs/dbraw/zinc/41/53/98/1311415398.db2.gz PRPQKDOEJBFMOR-MRXNPFEDSA-N 1 0 346.488 2.545 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2OCC[N+](C)(C)C)C1 ZINC001224770832 1311432550 /nfs/dbraw/zinc/43/25/50/1311432550.db2.gz CMZKJXKIFBKREO-MAUKXSAKSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC(OCC[N+](C)(C)C)CC2 ZINC001224770403 1311432827 /nfs/dbraw/zinc/43/28/27/1311432827.db2.gz APXVDEVSBURYJW-UHFFFAOYSA-N 1 0 327.489 2.889 20 5 EFBDRO CCOC(=O)C(F)(F)[C@@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224774250 1311433147 /nfs/dbraw/zinc/43/31/47/1311433147.db2.gz PNRLGYIRKYKGIX-AWEZNQCLSA-N 1 0 334.358 2.788 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010710 1311433512 /nfs/dbraw/zinc/43/35/12/1311433512.db2.gz YOFUFFXOMMAOIP-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC3(C2)CCC[NH2+]C3)nc1-c1ccc(F)cc1 ZINC001159025254 1311435573 /nfs/dbraw/zinc/43/55/73/1311435573.db2.gz PVGLHJNEYPSQNL-UHFFFAOYSA-N 1 0 342.374 2.986 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC2(C1)CCC[NH2+]C2 ZINC001159024988 1311435804 /nfs/dbraw/zinc/43/58/04/1311435804.db2.gz HSRLQZLFPYSTRO-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001159025597 1311436404 /nfs/dbraw/zinc/43/64/04/1311436404.db2.gz WYQFOZJHVHXTLX-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO Clc1ccc2ccc3ccc(NC[C@@H]4COCC[NH2+]4)nc3c2n1 ZINC001159044053 1311440419 /nfs/dbraw/zinc/44/04/19/1311440419.db2.gz NIUZXXBEMPSCCK-CYBMUJFWSA-N 1 0 328.803 2.837 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccnc1OC1CC[NH2+]CC1 ZINC001159242870 1311479564 /nfs/dbraw/zinc/47/95/64/1311479564.db2.gz XKOBKWSGGRVMTC-UHFFFAOYSA-N 1 0 344.371 2.873 20 5 EFBDRO Nc1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159295464 1311488728 /nfs/dbraw/zinc/48/87/28/1311488728.db2.gz VFFJJBNIIGJNSW-UHFFFAOYSA-N 1 0 343.387 2.694 20 5 EFBDRO CCc1ncsc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001159446309 1311517351 /nfs/dbraw/zinc/51/73/51/1311517351.db2.gz HFSUXDOLVDXPQN-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO Cc1ccc(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159529338 1311533805 /nfs/dbraw/zinc/53/38/05/1311533805.db2.gz SQPQMRASETZHCU-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO Cc1ccc(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159528658 1311533976 /nfs/dbraw/zinc/53/39/76/1311533976.db2.gz LMIMKDCTKCNUQU-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001225613348 1311553173 /nfs/dbraw/zinc/55/31/73/1311553173.db2.gz PGSIZGVUBQTUCR-AWEZNQCLSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225631906 1311556509 /nfs/dbraw/zinc/55/65/09/1311556509.db2.gz ILMVMSLGVSETQE-RHSMWYFYSA-N 1 0 343.383 2.658 20 5 EFBDRO Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658370 1311560972 /nfs/dbraw/zinc/56/09/72/1311560972.db2.gz GLFCTEIDQNSODM-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO O=c1cc[nH]c(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225661798 1311561447 /nfs/dbraw/zinc/56/14/47/1311561447.db2.gz PJGYZHOBXACYEB-CQSZACIVSA-N 1 0 329.356 2.739 20 5 EFBDRO COc1ccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001225768048 1311575170 /nfs/dbraw/zinc/57/51/70/1311575170.db2.gz XEKJVRCKJKLTSO-CQSZACIVSA-N 1 0 336.388 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225776754 1311575497 /nfs/dbraw/zinc/57/54/97/1311575497.db2.gz XGKWJBYYQXSHBK-TXEJJXNPSA-N 1 0 342.342 2.895 20 5 EFBDRO CC(C)c1nocc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001159792842 1311585128 /nfs/dbraw/zinc/58/51/28/1311585128.db2.gz JGMRHLZMFHKKTD-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C(F)(F)F)c1Cl ZINC001225887828 1311586595 /nfs/dbraw/zinc/58/65/95/1311586595.db2.gz DYMNSZBDVVLLOA-SECBINFHSA-N 1 0 340.749 2.721 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CCc3nccn3C2)c(C(F)(F)F)c1 ZINC001225893833 1311587289 /nfs/dbraw/zinc/58/72/89/1311587289.db2.gz ZNDVBUPAAFABST-VIFPVBQESA-N 1 0 328.250 2.599 20 5 EFBDRO Cc1c(Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159832888 1311592528 /nfs/dbraw/zinc/59/25/28/1311592528.db2.gz PJERDUYMHYWWSV-GFCCVEGCSA-N 1 0 328.328 2.981 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3c(F)c(F)ccc3[N+](=O)[O-])O2)CC1 ZINC001225961680 1311595422 /nfs/dbraw/zinc/59/54/22/1311595422.db2.gz YLNFIBJOLLOOSF-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO COc1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159856440 1311597489 /nfs/dbraw/zinc/59/74/89/1311597489.db2.gz QTMWCJPQDOULCC-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO O=C(CCc1ccsc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001159944661 1311613936 /nfs/dbraw/zinc/61/39/36/1311613936.db2.gz ZCQKUGCXWANOGX-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncc(F)cc3[N+](=O)[O-])c2C1 ZINC001159947894 1311615117 /nfs/dbraw/zinc/61/51/17/1311615117.db2.gz QHYHBXSSQIULNW-LLVKDONJSA-N 1 0 326.331 2.889 20 5 EFBDRO COc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159947775 1311615121 /nfs/dbraw/zinc/61/51/21/1311615121.db2.gz PUSFOVQPCXTQSR-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3nc(Cl)ncc3[N+](=O)[O-])c2C1 ZINC001159947653 1311615132 /nfs/dbraw/zinc/61/51/32/1311615132.db2.gz OYFDIFUYASVHNT-SECBINFHSA-N 1 0 343.774 2.798 20 5 EFBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226117720 1311616180 /nfs/dbraw/zinc/61/61/80/1311616180.db2.gz GEFLWCRGAWYVLF-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001160045445 1311634997 /nfs/dbraw/zinc/63/49/97/1311634997.db2.gz JZFLLEYDVRLDIM-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO COc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160062861 1311638321 /nfs/dbraw/zinc/63/83/21/1311638321.db2.gz DVBSOJHUZTTXPQ-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO O=C(NCCC1=CC[N@H+](CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097392 1311643149 /nfs/dbraw/zinc/64/31/49/1311643149.db2.gz HWSDTMBVBFVDPF-QZTJIDSGSA-N 1 0 349.475 2.760 20 5 EFBDRO CN1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]1CC(=O)C2 ZINC001226311421 1311646632 /nfs/dbraw/zinc/64/66/32/1311646632.db2.gz QXUJXQXCXZXKDA-BHYNMZESSA-N 1 0 344.289 2.797 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC001160134469 1311652072 /nfs/dbraw/zinc/65/20/72/1311652072.db2.gz CLSFYWJNLHTSKE-GFCCVEGCSA-N 1 0 332.335 2.922 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423622 1311665239 /nfs/dbraw/zinc/66/52/39/1311665239.db2.gz ZENAXABHENBCOB-SNVBAGLBSA-N 1 0 327.344 2.698 20 5 EFBDRO COc1ncc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160220733 1311666667 /nfs/dbraw/zinc/66/66/67/1311666667.db2.gz XUEMCPZOODJGIS-HNNXBMFYSA-N 1 0 344.371 2.873 20 5 EFBDRO COc1ccc(Nc2ccccc2CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160298618 1311683535 /nfs/dbraw/zinc/68/35/35/1311683535.db2.gz BUSSUZIHTTWSHI-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001226530136 1311683928 /nfs/dbraw/zinc/68/39/28/1311683928.db2.gz WEJGDVNUZVTWER-OAHLLOKOSA-N 1 0 348.399 2.820 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001226564955 1311689554 /nfs/dbraw/zinc/68/95/54/1311689554.db2.gz IQHICPWLXOTDHR-MRXNPFEDSA-N 1 0 341.479 2.508 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c(Br)csc21 ZINC001226609545 1311696643 /nfs/dbraw/zinc/69/66/43/1311696643.db2.gz OMBQZYKRGSOBCP-MRVPVSSYSA-N 1 0 331.259 2.927 20 5 EFBDRO CCOC(=O)c1ccnc(-n2ccc3cccc(C[NH3+])c32)c1[N+](=O)[O-] ZINC001160459327 1311714358 /nfs/dbraw/zinc/71/43/58/1311714358.db2.gz OQLLWOGUTRUYGD-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001160468970 1311717269 /nfs/dbraw/zinc/71/72/69/1311717269.db2.gz PADDBFPFZZJEOI-RTCCRHLQSA-N 1 0 325.800 2.774 20 5 EFBDRO N=C(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1cccc2ccccc21 ZINC001160504550 1311723671 /nfs/dbraw/zinc/72/36/71/1311723671.db2.gz UVAOOAUEGBCZBC-UHFFFAOYSA-N 1 0 348.366 2.662 20 5 EFBDRO [NH3+]C1CCN(C(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)CC1 ZINC001160524326 1311728771 /nfs/dbraw/zinc/72/87/71/1311728771.db2.gz KMLNJXZDGZLRQR-UHFFFAOYSA-N 1 0 338.436 2.960 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Cc2ccccc2)c1 ZINC001226874137 1311734757 /nfs/dbraw/zinc/73/47/57/1311734757.db2.gz WDZYUCNYUQVBBM-GOSISDBHSA-N 1 0 328.432 2.640 20 5 EFBDRO CC(C)=C(F)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226884404 1311736605 /nfs/dbraw/zinc/73/66/05/1311736605.db2.gz QNLVEKIBCMUHAL-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC001226914887 1311739908 /nfs/dbraw/zinc/73/99/08/1311739908.db2.gz ABEVDMZCKIPVAP-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO COC(=O)c1cc(Cl)c(NC(C)=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001226923796 1311741956 /nfs/dbraw/zinc/74/19/56/1311741956.db2.gz STMVNRHAFQXHRS-JTQLQIEISA-O 1 0 343.831 2.559 20 5 EFBDRO COC(=O)c1scc(Br)c1O[C@H](C)C[N+](C)(C)C ZINC001227129588 1311765492 /nfs/dbraw/zinc/76/54/92/1311765492.db2.gz NYSAUCKFLFBGBB-MRVPVSSYSA-N 1 0 337.259 2.771 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160737155 1311771709 /nfs/dbraw/zinc/77/17/09/1311771709.db2.gz BNFVNPQIJQWBOJ-UYAOXDASSA-N 1 0 334.419 2.532 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160738502 1311771834 /nfs/dbraw/zinc/77/18/34/1311771834.db2.gz MVTKBXCZIXZSBP-UZLBHIALSA-N 1 0 333.435 2.641 20 5 EFBDRO C[NH2+][C@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)[C@@H](C)O ZINC001160737922 1311771843 /nfs/dbraw/zinc/77/18/43/1311771843.db2.gz KHCNNWGFUANZKF-VLIAUNLRSA-N 1 0 336.435 2.920 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1COC[C@H]1[NH3+] ZINC001160737480 1311772008 /nfs/dbraw/zinc/77/20/08/1311772008.db2.gz DQZQFKHONWFGQV-VQTJNVASSA-N 1 0 334.419 2.925 20 5 EFBDRO CC(C)Oc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160745344 1311773425 /nfs/dbraw/zinc/77/34/25/1311773425.db2.gz WECRRAQEPVUGQA-UWVGGRQHSA-N 1 0 348.325 2.729 20 5 EFBDRO CC(C)Oc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160745343 1311773545 /nfs/dbraw/zinc/77/35/45/1311773545.db2.gz WECRRAQEPVUGQA-NXEZZACHSA-N 1 0 348.325 2.729 20 5 EFBDRO Cc1cc(N[C@@H](C[NH3+])C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160914574 1311808860 /nfs/dbraw/zinc/80/88/60/1311808860.db2.gz QRAOBHJAVJWZAH-AWEZNQCLSA-N 1 0 329.404 2.567 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001160966435 1311823328 /nfs/dbraw/zinc/82/33/28/1311823328.db2.gz HRSPPYBNOIFOEJ-SECBINFHSA-N 1 0 334.754 2.766 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Oc2ccc(O)cc2)cc1 ZINC001227572393 1311823929 /nfs/dbraw/zinc/82/39/29/1311823929.db2.gz YTEOLLYWNVRSGJ-OAHLLOKOSA-O 1 0 346.403 2.547 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C12CCC(CC1)C2 ZINC001161025831 1311840855 /nfs/dbraw/zinc/84/08/55/1311840855.db2.gz ONURMKCUGWHKCR-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CN(C)/C=C/c1cc(Nc2cccc(CC[NH3+])c2)ncc1[N+](=O)[O-] ZINC001161076409 1311852626 /nfs/dbraw/zinc/85/26/26/1311852626.db2.gz CNRXFMAPBNFNJW-VQHVLOKHSA-N 1 0 327.388 2.767 20 5 EFBDRO CCC(CC)[NH+]1CCC(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001161098514 1311856512 /nfs/dbraw/zinc/85/65/12/1311856512.db2.gz MFJVUBATQWAIKK-UHFFFAOYSA-N 1 0 342.827 2.947 20 5 EFBDRO CCc1cnccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001161502186 1311902354 /nfs/dbraw/zinc/90/23/54/1311902354.db2.gz VXMWQULTSUCAFX-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cc3ccccc3nc21 ZINC001228177165 1311911653 /nfs/dbraw/zinc/91/16/53/1311911653.db2.gz XRWVYEKIJJCBHU-MRXNPFEDSA-N 1 0 339.415 2.751 20 5 EFBDRO COc1cc(C)nc(N2CCC([NH3+])(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161571297 1311918417 /nfs/dbraw/zinc/91/84/17/1311918417.db2.gz FWXSVTPSNYZICK-UHFFFAOYSA-N 1 0 334.420 2.795 20 5 EFBDRO [NH3+]C1(CC2CCC2)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161569542 1311918645 /nfs/dbraw/zinc/91/86/45/1311918645.db2.gz LWPRHIFJSABOIW-UHFFFAOYSA-N 1 0 325.800 2.526 20 5 EFBDRO Cc1cc(C)nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001161583761 1311922645 /nfs/dbraw/zinc/92/26/45/1311922645.db2.gz VWAXLZCPYRTCPH-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC1(CC(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001228341446 1311933265 /nfs/dbraw/zinc/93/32/65/1311933265.db2.gz BNSQSYISVGIKAB-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC(=O)c1cc(Cl)cc(Cl)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228399191 1311941416 /nfs/dbraw/zinc/94/14/16/1311941416.db2.gz KFRYMUMNQSXEHC-LLVKDONJSA-N 1 0 349.234 2.559 20 5 EFBDRO CC[NH+]1CCC(Oc2nc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC001228622197 1311971383 /nfs/dbraw/zinc/97/13/83/1311971383.db2.gz ZMUUGYLZDWPKSE-UHFFFAOYSA-N 1 0 344.209 2.924 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1[N+](=O)[O-] ZINC001228688407 1311982661 /nfs/dbraw/zinc/98/26/61/1311982661.db2.gz IQERQYLMSMBFCK-ZDUSSCGKSA-N 1 0 340.339 2.701 20 5 EFBDRO [NH3+]C1CCN(CCNc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001161867869 1311990734 /nfs/dbraw/zinc/99/07/34/1311990734.db2.gz TXXYVVACJNVSAM-UHFFFAOYSA-N 1 0 349.822 2.631 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4nc5ccccc5nc4c3)[C@H]1CC(=O)C2 ZINC001228740835 1311992021 /nfs/dbraw/zinc/99/20/21/1311992021.db2.gz MJPFTGKQZSZGTQ-NXXCRTJYSA-N 1 0 333.391 2.966 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001161885460 1311995241 /nfs/dbraw/zinc/99/52/41/1311995241.db2.gz QRWZZRMNGMMSBM-HNNXBMFYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803487 1312002102 /nfs/dbraw/zinc/00/21/02/1312002102.db2.gz BQUBLJKKNWBIHF-LBPRGKRZSA-N 1 0 332.356 2.953 20 5 EFBDRO CC(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048649341 1312005035 /nfs/dbraw/zinc/00/50/35/1312005035.db2.gz NJBQVWZZLXKESQ-IYBDPMFKSA-N 1 0 331.416 2.531 20 5 EFBDRO COC(=O)Cc1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228921326 1312020285 /nfs/dbraw/zinc/02/02/85/1312020285.db2.gz AOGVHWAXFRNOBF-NSHDSACASA-N 1 0 345.257 2.638 20 5 EFBDRO [NH3+]C1(Cc2ccccc2F)CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001161986156 1312021505 /nfs/dbraw/zinc/02/15/05/1312021505.db2.gz YSAJCIZIBNMCES-UHFFFAOYSA-N 1 0 330.363 2.669 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161985911 1312021994 /nfs/dbraw/zinc/02/19/94/1312021994.db2.gz TWOVHVARHVKRFN-UHFFFAOYSA-N 1 0 344.390 2.978 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228936478 1312023460 /nfs/dbraw/zinc/02/34/60/1312023460.db2.gz IPXRDXZBOOWZIE-LBPRGKRZSA-N 1 0 330.388 2.555 20 5 EFBDRO CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048679777 1312039006 /nfs/dbraw/zinc/03/90/06/1312039006.db2.gz DFWDMFLQDPJRSF-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO CCC1(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001229064713 1312043292 /nfs/dbraw/zinc/04/32/92/1312043292.db2.gz CFOPLIIAMIGEME-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001229146016 1312052929 /nfs/dbraw/zinc/05/29/29/1312052929.db2.gz OHZRISUJTDTLDZ-CYBMUJFWSA-N 1 0 327.178 2.830 20 5 EFBDRO COC(=O)c1c(F)cc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001229193926 1312059726 /nfs/dbraw/zinc/05/97/26/1312059726.db2.gz LDTFMHBJPDNISO-SECBINFHSA-N 1 0 349.220 2.848 20 5 EFBDRO Cc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001162195140 1312065411 /nfs/dbraw/zinc/06/54/11/1312065411.db2.gz LSGRSHHELPYMRH-WKILWMFISA-N 1 0 341.415 2.970 20 5 EFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001162195246 1312065641 /nfs/dbraw/zinc/06/56/41/1312065641.db2.gz QEUMRQBCTYBTNR-SHTZXODSSA-N 1 0 327.388 2.661 20 5 EFBDRO C[N@@H+]1CCC[C@](C)(NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001162342715 1312090834 /nfs/dbraw/zinc/09/08/34/1312090834.db2.gz WTJDSJZUODZPSJ-LBPRGKRZSA-N 1 0 334.754 2.766 20 5 EFBDRO O=C(CC1CCC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048742192 1312093453 /nfs/dbraw/zinc/09/34/53/1312093453.db2.gz SBRGERAEVCZDJT-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454614 1312099220 /nfs/dbraw/zinc/09/92/20/1312099220.db2.gz ODQNBHOYBKCRBR-KBXCAEBGSA-N 1 0 343.383 2.518 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162405640 1312099269 /nfs/dbraw/zinc/09/92/69/1312099269.db2.gz VVRFOXYHYFSVQY-DTWKUNHWSA-N 1 0 327.768 2.717 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162456130 1312106817 /nfs/dbraw/zinc/10/68/17/1312106817.db2.gz GKOLWHKYQISZNQ-UWVGGRQHSA-N 1 0 343.225 2.800 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162461976 1312107760 /nfs/dbraw/zinc/10/77/60/1312107760.db2.gz SGCJMBWTHDPXPJ-MNOVXSKESA-N 1 0 333.367 2.725 20 5 EFBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccc(F)c(F)c1 ZINC001162464217 1312108416 /nfs/dbraw/zinc/10/84/16/1312108416.db2.gz SOLUPTBDAUUSDP-CYBMUJFWSA-N 1 0 349.341 2.913 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001162470776 1312109723 /nfs/dbraw/zinc/10/97/23/1312109723.db2.gz MCDKVYRXCGWWNN-QWHCGFSZSA-N 1 0 335.404 2.819 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001162470777 1312109844 /nfs/dbraw/zinc/10/98/44/1312109844.db2.gz MCDKVYRXCGWWNN-STQMWFEESA-N 1 0 335.404 2.819 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229561219 1312113936 /nfs/dbraw/zinc/11/39/36/1312113936.db2.gz UWEMTMCRWQNHNM-SNVBAGLBSA-N 1 0 330.182 2.614 20 5 EFBDRO CC[NH+]1CCC(Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229562246 1312114252 /nfs/dbraw/zinc/11/42/52/1312114252.db2.gz DOJKYEVPAKBFEB-UHFFFAOYSA-N 1 0 330.182 2.615 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ncc(Br)cc21 ZINC001229586510 1312117833 /nfs/dbraw/zinc/11/78/33/1312117833.db2.gz XTZNTZUMMZJVJS-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@@H]1C[C@@H](CNc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C[NH2+]1 ZINC001162556779 1312123700 /nfs/dbraw/zinc/12/37/00/1312123700.db2.gz VBTFUQDSSVHGOF-VXGBXAGGSA-N 1 0 329.360 2.587 20 5 EFBDRO C[NH+](C)Cc1ccccc1O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001229700922 1312125080 /nfs/dbraw/zinc/12/50/80/1312125080.db2.gz DVXWDXHTXPQQFX-SFHVURJKSA-N 1 0 344.367 2.874 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001162564428 1312125380 /nfs/dbraw/zinc/12/53/80/1312125380.db2.gz FOMYJRXDGMGICO-UHFFFAOYSA-N 1 0 334.339 2.783 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@@]3(F)CCCC[NH2+]C3)nn2)c1 ZINC001162579295 1312128603 /nfs/dbraw/zinc/12/86/03/1312128603.db2.gz BBWYMGLXAOEERP-QGZVFWFLSA-N 1 0 345.378 2.946 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NC[C@]1(F)CCCC[NH2+]C1 ZINC001162580084 1312128717 /nfs/dbraw/zinc/12/87/17/1312128717.db2.gz RMGRORDCIFHZGW-HNNXBMFYSA-N 1 0 337.330 2.571 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162586020 1312130182 /nfs/dbraw/zinc/13/01/82/1312130182.db2.gz PFIYCKJNGCOFEH-INIZCTEOSA-N 1 0 339.367 2.584 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC001162601754 1312133623 /nfs/dbraw/zinc/13/36/23/1312133623.db2.gz PGUKWCPUMGXCQM-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC(=O)N(CC[NH2+]Cc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC001162644997 1312141734 /nfs/dbraw/zinc/14/17/34/1312141734.db2.gz FEHDLHZEHMLELJ-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229868916 1312151808 /nfs/dbraw/zinc/15/18/08/1312151808.db2.gz PGZOBLOWQPQVCO-LLVKDONJSA-N 1 0 339.348 2.682 20 5 EFBDRO Cc1cc(=O)oc2c1ccc(O[C@@H]1CCC[N@@H+](C)CC1)c2[N+](=O)[O-] ZINC001229944382 1312162819 /nfs/dbraw/zinc/16/28/19/1312162819.db2.gz PXQJQWKQKRDCNT-GFCCVEGCSA-N 1 0 332.356 2.873 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162733826 1312163157 /nfs/dbraw/zinc/16/31/57/1312163157.db2.gz SJSWFTPEHMKGBW-HNNXBMFYSA-N 1 0 348.403 2.619 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001162738843 1312164252 /nfs/dbraw/zinc/16/42/52/1312164252.db2.gz IZMYVNRRTVOBKV-OAHLLOKOSA-N 1 0 341.383 2.585 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC001162740682 1312164529 /nfs/dbraw/zinc/16/45/29/1312164529.db2.gz MNXXRMPGBJXQKH-ZDUSSCGKSA-N 1 0 332.791 2.842 20 5 EFBDRO Cc1cc(Cl)nc(N2Cc3ccccc3C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001162740460 1312164800 /nfs/dbraw/zinc/16/48/00/1312164800.db2.gz ACARUJBYPJUAMT-ZDUSSCGKSA-N 1 0 332.791 2.842 20 5 EFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162763172 1312169909 /nfs/dbraw/zinc/16/99/09/1312169909.db2.gz NPKVMZDWHIBTSC-SNVBAGLBSA-N 1 0 334.339 2.897 20 5 EFBDRO COc1nc(C)c(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162766869 1312171792 /nfs/dbraw/zinc/17/17/92/1312171792.db2.gz QWBRSOQGQCUJSY-SECBINFHSA-N 1 0 327.344 2.665 20 5 EFBDRO CC(=O)Nc1ccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162777802 1312174009 /nfs/dbraw/zinc/17/40/09/1312174009.db2.gz VJGCZZFGTGUHDT-SNVBAGLBSA-N 1 0 339.355 2.912 20 5 EFBDRO Cc1ccc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)nn2)cc1[N+](=O)[O-] ZINC001162795750 1312177780 /nfs/dbraw/zinc/17/77/80/1312177780.db2.gz ASRMWCQWVUFPTO-IIAWOOMASA-N 1 0 337.383 2.546 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001162848032 1312188898 /nfs/dbraw/zinc/18/88/98/1312188898.db2.gz DKKMSXVDYHANIJ-JTQLQIEISA-N 1 0 327.369 2.621 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)c1ccccc1 ZINC001230230575 1312208014 /nfs/dbraw/zinc/20/80/14/1312208014.db2.gz VLQHQDZKRFRRKX-HNNXBMFYSA-N 1 0 341.371 2.938 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001162974732 1312216362 /nfs/dbraw/zinc/21/63/62/1312216362.db2.gz MBMPIADDDJGNLJ-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@@]34CCC[C@@H]3[NH2+]CC4)nc2c1 ZINC001162984435 1312219119 /nfs/dbraw/zinc/21/91/19/1312219119.db2.gz XFGNDLMYPBVOAZ-SWLSCSKDSA-N 1 0 333.779 2.888 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC001163052508 1312233006 /nfs/dbraw/zinc/23/30/06/1312233006.db2.gz FNAGTELNTAETGI-AWEZNQCLSA-N 1 0 338.367 2.921 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(Nc2ccc([C@@H](C[NH3+])CO)cc2)nc1Cl ZINC001163054407 1312233024 /nfs/dbraw/zinc/23/30/24/1312233024.db2.gz ZYMNPYXLASDBDB-NSHDSACASA-N 1 0 336.779 2.730 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC001163052510 1312233112 /nfs/dbraw/zinc/23/31/12/1312233112.db2.gz FNAGTELNTAETGI-CQSZACIVSA-N 1 0 338.367 2.921 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163055603 1312233809 /nfs/dbraw/zinc/23/38/09/1312233809.db2.gz APALXZSFEWGVTJ-LLVKDONJSA-N 1 0 335.795 2.666 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2nccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001163058933 1312234002 /nfs/dbraw/zinc/23/40/02/1312234002.db2.gz VXTGYUGCYUQBCS-CQSZACIVSA-N 1 0 338.367 2.921 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095854 1312239738 /nfs/dbraw/zinc/23/97/38/1312239738.db2.gz MOEHZTSDYVCYCX-CQSZACIVSA-N 1 0 349.431 2.871 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cc2ccccc21 ZINC001163096118 1312239962 /nfs/dbraw/zinc/23/99/62/1312239962.db2.gz QMIOPECWYDMGAE-CQSZACIVSA-N 1 0 327.384 2.929 20 5 EFBDRO Cc1ccc2c(ccnc2NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001163126696 1312245969 /nfs/dbraw/zinc/24/59/69/1312245969.db2.gz VYOSNMZUWFAXLL-UHFFFAOYSA-N 1 0 339.355 2.697 20 5 EFBDRO Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490449 1312247988 /nfs/dbraw/zinc/24/79/88/1312247988.db2.gz BFWVUDHEJCNHPV-DRXBFXEBSA-N 1 0 335.360 2.921 20 5 EFBDRO c1cnc2c(c1)cc(NC[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)c1cccnc12 ZINC001163176633 1312258045 /nfs/dbraw/zinc/25/80/45/1312258045.db2.gz VNONWNNDGRZZSE-RKVPGOIHSA-N 1 0 334.423 2.819 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215729 1312265665 /nfs/dbraw/zinc/26/56/65/1312265665.db2.gz QFJYPJFLLKSRGT-WBVHZDCISA-N 1 0 341.367 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001163268794 1312278482 /nfs/dbraw/zinc/27/84/82/1312278482.db2.gz FTLAOXHBWQJBHW-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163272951 1312279385 /nfs/dbraw/zinc/27/93/85/1312279385.db2.gz WRUOAXIOFUCFEG-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163279026 1312281124 /nfs/dbraw/zinc/28/11/24/1312281124.db2.gz KLWHXTYZNOYSOP-SUMWQHHRSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccnc21 ZINC001163291070 1312283206 /nfs/dbraw/zinc/28/32/06/1312283206.db2.gz MBIXKTDWHGHADU-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO CCOc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163291466 1312283404 /nfs/dbraw/zinc/28/34/04/1312283404.db2.gz QTGLNUVSWNNSPD-GUYCJALGSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001163320953 1312289336 /nfs/dbraw/zinc/28/93/36/1312289336.db2.gz AZDMMJCNEYSAGH-FZMZJTMJSA-N 1 0 345.321 2.937 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1occ2c1CCC2 ZINC001163330175 1312290700 /nfs/dbraw/zinc/29/07/00/1312290700.db2.gz HHDXERSHLQTWHB-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO Clc1nc2ccc3ccccc3c2nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336499 1312291863 /nfs/dbraw/zinc/29/18/63/1312291863.db2.gz HPTZHKHJCBFLJY-YCPHGPKFSA-N 1 0 340.814 2.978 20 5 EFBDRO Cc1nc(Cl)nc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163358548 1312295563 /nfs/dbraw/zinc/29/55/63/1312295563.db2.gz UCANNXICYUNXAY-KOLCDFICSA-N 1 0 327.816 2.877 20 5 EFBDRO Cc1cc(N[C@H]2C[NH+]3CCC2CC3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163387815 1312301128 /nfs/dbraw/zinc/30/11/28/1312301128.db2.gz HVFKVOJSFRYFAI-INIZCTEOSA-N 1 0 339.399 2.866 20 5 EFBDRO CCOC(=O)[C@H](Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1)OCC ZINC001230761160 1312332041 /nfs/dbraw/zinc/33/20/41/1312332041.db2.gz OKQPZQAGTXRAAF-QAPCUYQASA-N 1 0 338.468 2.671 20 5 EFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCCC[C@@]13C[NH2+]CCO3)CCCC2 ZINC001163645577 1312352996 /nfs/dbraw/zinc/35/29/96/1312352996.db2.gz YYMKNFSLXMXONX-FUHWJXTLSA-N 1 0 346.431 2.582 20 5 EFBDRO COc1cccc(CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1OC ZINC001163689373 1312364501 /nfs/dbraw/zinc/36/45/01/1312364501.db2.gz DKMNDTLEGHFAIL-UHFFFAOYSA-N 1 0 343.383 2.870 20 5 EFBDRO CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001049017880 1312366420 /nfs/dbraw/zinc/36/64/20/1312366420.db2.gz WQBJRPOZMQYZPD-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO COc1cc(CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc(OC)c1 ZINC001163720255 1312371958 /nfs/dbraw/zinc/37/19/58/1312371958.db2.gz MWMHDYXIHIFWFM-UHFFFAOYSA-N 1 0 343.383 2.870 20 5 EFBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001230884559 1312381028 /nfs/dbraw/zinc/38/10/28/1312381028.db2.gz PFVGRRIYVUHOBS-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163827417 1312389826 /nfs/dbraw/zinc/38/98/26/1312389826.db2.gz SLVGMDDFVCMPOF-UHFFFAOYSA-N 1 0 347.806 2.751 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163911816 1312406485 /nfs/dbraw/zinc/40/64/85/1312406485.db2.gz NTJSLYQIYZNHFP-UHFFFAOYSA-N 1 0 347.806 2.539 20 5 EFBDRO O=C(/C=C/C1CC1)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163960421 1312414976 /nfs/dbraw/zinc/41/49/76/1312414976.db2.gz ZQDGHZKGBSKRMH-ONEGZZNKSA-N 1 0 349.456 2.999 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+][C@H](Cc4ccccc4)C3)c21 ZINC001163989449 1312421389 /nfs/dbraw/zinc/42/13/89/1312421389.db2.gz BMQLYXQWRJMWES-OAHLLOKOSA-N 1 0 349.394 2.559 20 5 EFBDRO C/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163991779 1312421487 /nfs/dbraw/zinc/42/14/87/1312421487.db2.gz GDEQEUOJUHHHIJ-BNNQUZSASA-N 1 0 331.416 2.937 20 5 EFBDRO C/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163991951 1312422000 /nfs/dbraw/zinc/42/20/00/1312422000.db2.gz HYJGMAOGYBZZPT-LZWSPWQCSA-N 1 0 331.416 2.937 20 5 EFBDRO C/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163992108 1312422102 /nfs/dbraw/zinc/42/21/02/1312422102.db2.gz KNXFGIQISJSTTN-KGVSQERTSA-N 1 0 337.445 2.999 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164068513 1312441092 /nfs/dbraw/zinc/44/10/92/1312441092.db2.gz GGKSCQOYBUAXKQ-IUCAKERBSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1cc(N(CCC[NH3+])C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001164121415 1312451883 /nfs/dbraw/zinc/45/18/83/1312451883.db2.gz LJZSCUCWPFAWGA-UHFFFAOYSA-N 1 0 329.404 2.924 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903197525 1312452560 /nfs/dbraw/zinc/45/25/60/1312452560.db2.gz QFOMMFUVSJBMTK-GFCCVEGCSA-N 1 0 332.379 2.916 20 5 EFBDRO Cc1nc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c(C)c1Br ZINC001164126949 1312453154 /nfs/dbraw/zinc/45/31/54/1312453154.db2.gz LQFJYCGUCGGMHE-UHFFFAOYSA-N 1 0 345.241 2.933 20 5 EFBDRO C[C@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231236663 1312460577 /nfs/dbraw/zinc/46/05/77/1312460577.db2.gz OPVONZBPNNCXBR-SSDOTTSWSA-N 1 0 337.254 2.851 20 5 EFBDRO CN1CCC(CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+](C)C)CC1 ZINC001164212101 1312468917 /nfs/dbraw/zinc/46/89/17/1312468917.db2.gz YKBDAWTVZKTTOP-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1cc2ncnc(N3CCC[C@](C)(C[NH3+])CC3)c2cc1[N+](=O)[O-] ZINC001164247987 1312477947 /nfs/dbraw/zinc/47/79/47/1312477947.db2.gz PPTFEECMXWFMBN-KRWDZBQOSA-N 1 0 345.403 2.502 20 5 EFBDRO O=C(CCCC1CC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001164277873 1312484314 /nfs/dbraw/zinc/48/43/14/1312484314.db2.gz QCXOOFDEXBGMAT-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(-n3cnc4c3C[NH2+]CC4)ccc21 ZINC001164313883 1312490486 /nfs/dbraw/zinc/49/04/86/1312490486.db2.gz VJHFRTYLJPRURG-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1-n1cnc2c1C[NH2+]CC2 ZINC001164316904 1312491416 /nfs/dbraw/zinc/49/14/16/1312491416.db2.gz JUWLSEJYYBYEDU-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164456465 1312517321 /nfs/dbraw/zinc/51/73/21/1312517321.db2.gz OFFBEZOFNUONBF-BDAKNGLRSA-N 1 0 334.754 2.752 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164608058 1312548841 /nfs/dbraw/zinc/54/88/41/1312548841.db2.gz MUUPREORXSHLSW-CQSZACIVSA-N 1 0 332.791 2.664 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000903300291 1312551046 /nfs/dbraw/zinc/55/10/46/1312551046.db2.gz XXFPNSLBBIKTMX-AAJLLMFJSA-N 1 0 334.416 2.700 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049184113 1312551344 /nfs/dbraw/zinc/55/13/44/1312551344.db2.gz WRMOMQIVRUBMRA-GASCZTMLSA-N 1 0 331.416 2.531 20 5 EFBDRO CC[NH+]1CCC(N(C)c2nc(SC)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165069177 1312562394 /nfs/dbraw/zinc/56/23/94/1312562394.db2.gz WIVFAPNRWZWUBE-UHFFFAOYSA-N 1 0 345.856 2.681 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001165073296 1312562889 /nfs/dbraw/zinc/56/28/89/1312562889.db2.gz UCGVFPAHFNQPMP-LLVKDONJSA-N 1 0 335.795 2.722 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001165073297 1312563138 /nfs/dbraw/zinc/56/31/38/1312563138.db2.gz UCGVFPAHFNQPMP-NSHDSACASA-N 1 0 335.795 2.722 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165089963 1312565993 /nfs/dbraw/zinc/56/59/93/1312565993.db2.gz WLFPZEPVKUJSKY-PBHICJAKSA-N 1 0 342.374 2.840 20 5 EFBDRO CC(C)(C)[NH+]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165091175 1312567001 /nfs/dbraw/zinc/56/70/01/1312567001.db2.gz PFWYYCDLMCWRNG-UHFFFAOYSA-N 1 0 341.415 2.972 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001165142240 1312577432 /nfs/dbraw/zinc/57/74/32/1312577432.db2.gz TVZMZEXMGYRESC-UHFFFAOYSA-N 1 0 327.388 2.584 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001165141982 1312577533 /nfs/dbraw/zinc/57/75/33/1312577533.db2.gz UFJWLWJZNJEOAQ-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO C[N@H+]1C[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165150051 1312578674 /nfs/dbraw/zinc/57/86/74/1312578674.db2.gz QQFLPABDJLIQDU-PHIMTYICSA-N 1 0 332.791 2.794 20 5 EFBDRO CSc1nc(Cl)nc(N2CC[N@H+](C(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001165199496 1312584109 /nfs/dbraw/zinc/58/41/09/1312584109.db2.gz XWTDPLAVUUYHLI-SECBINFHSA-N 1 0 345.856 2.679 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202996 1312585666 /nfs/dbraw/zinc/58/56/66/1312585666.db2.gz QYAYBLILXQGLHM-KGLIPLIRSA-N 1 0 341.415 2.671 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001165242984 1312593943 /nfs/dbraw/zinc/59/39/43/1312593943.db2.gz CSFDLEUESHWQES-UHFFFAOYSA-N 1 0 346.765 2.896 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001165245251 1312594221 /nfs/dbraw/zinc/59/42/21/1312594221.db2.gz ARHQGYGXMMJWPQ-UHFFFAOYSA-N 1 0 339.399 2.760 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001165262564 1312598171 /nfs/dbraw/zinc/59/81/71/1312598171.db2.gz WZHVWOKXSXEGRT-NSHDSACASA-N 1 0 333.367 2.821 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001165265449 1312598368 /nfs/dbraw/zinc/59/83/68/1312598368.db2.gz SSKXNZKXMCAULZ-LBPRGKRZSA-N 1 0 330.310 2.501 20 5 EFBDRO CN(C)/C=C/c1cc(N2CCCCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165338992 1312612092 /nfs/dbraw/zinc/61/20/92/1312612092.db2.gz MYTMOSGNCVKSQJ-LFYBBSHMSA-N 1 0 345.447 2.635 20 5 EFBDRO O=[N+]([O-])c1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc2[nH]ccc21 ZINC001165352321 1312614071 /nfs/dbraw/zinc/61/40/71/1312614071.db2.gz XAKKSDBJNJFMQD-LSDHHAIUSA-N 1 0 335.367 2.547 20 5 EFBDRO Cc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165418498 1312625758 /nfs/dbraw/zinc/62/57/58/1312625758.db2.gz XLHDFULNRKSSLH-APWZRJJASA-N 1 0 338.411 2.882 20 5 EFBDRO COc1cnc(NCC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165426996 1312628474 /nfs/dbraw/zinc/62/84/74/1312628474.db2.gz HDMRAIKLIQCGOA-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO COc1ccc(NCC2C[NH+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC001165427879 1312628481 /nfs/dbraw/zinc/62/84/81/1312628481.db2.gz YRQDGVVVKGIKNI-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165432531 1312629876 /nfs/dbraw/zinc/62/98/76/1312629876.db2.gz UKFKDCMWUXGXRQ-JGVFFNPUSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]2CF)CC1 ZINC001165432761 1312629966 /nfs/dbraw/zinc/62/99/66/1312629966.db2.gz GUCSPZGFIKZNLV-WFASDCNBSA-N 1 0 330.363 2.656 20 5 EFBDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232222669 1312651389 /nfs/dbraw/zinc/65/13/89/1312651389.db2.gz WKYUSJHFVAUGEN-KRWDZBQOSA-N 1 0 334.423 2.884 20 5 EFBDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225603 1312652658 /nfs/dbraw/zinc/65/26/58/1312652658.db2.gz MVVPFJAEQKBGSU-GOSISDBHSA-N 1 0 336.439 2.545 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001019945524 1314546311 /nfs/dbraw/zinc/54/63/11/1314546311.db2.gz HSOJNTSSDJNZIO-HDJSIYSDSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019952472 1314548444 /nfs/dbraw/zinc/54/84/44/1314548444.db2.gz TYABTKOIRIGDGV-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC001019981786 1314555771 /nfs/dbraw/zinc/55/57/71/1314555771.db2.gz PUWPYYNUSVWUOO-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCCC[NH2+]2)c1F ZINC001246241945 1314601034 /nfs/dbraw/zinc/60/10/34/1314601034.db2.gz DAYKPMLIRXIFLF-CHWSQXEVSA-N 1 0 339.411 2.795 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC001020104399 1314611823 /nfs/dbraw/zinc/61/18/23/1314611823.db2.gz QUUNBJMEFJLUSO-JOCQHMNTSA-N 1 0 335.385 2.608 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020116610 1314617870 /nfs/dbraw/zinc/61/78/70/1314617870.db2.gz MQULSJBLUJAWDV-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020122381 1314620061 /nfs/dbraw/zinc/62/00/61/1314620061.db2.gz DCKGZGXFNQBSKB-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)=C1CCC1 ZINC001020136249 1314627283 /nfs/dbraw/zinc/62/72/83/1314627283.db2.gz YXIGHYKSJGJVEA-WKILWMFISA-N 1 0 329.400 2.832 20 5 EFBDRO CC[C@@]1(CN[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC001246454194 1314630924 /nfs/dbraw/zinc/63/09/24/1314630924.db2.gz AKUBLIDEMCPVRY-SJCJKPOMSA-N 1 0 339.411 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](C[NH3+])c2ccccc2)c1F ZINC001246507267 1314639989 /nfs/dbraw/zinc/63/99/89/1314639989.db2.gz MNQZZYZABAXHED-IUODEOHRSA-N 1 0 347.390 2.963 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246590810 1314653377 /nfs/dbraw/zinc/65/33/77/1314653377.db2.gz IEDZYUPKKZYEDT-KBXCAEBGSA-N 1 0 335.448 2.985 20 5 EFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 ZINC001214165164 1314653880 /nfs/dbraw/zinc/65/38/80/1314653880.db2.gz NCJVIMDPMRDQSB-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO N[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246603476 1314655861 /nfs/dbraw/zinc/65/58/61/1314655861.db2.gz YUJZAXMPNCWMAQ-HIFRSBDPSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611724 1314656883 /nfs/dbraw/zinc/65/68/83/1314656883.db2.gz VKWPQLYDUATUPN-KSSFIOAISA-N 1 0 333.432 2.610 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001246627735 1314660764 /nfs/dbraw/zinc/66/07/64/1314660764.db2.gz WVURPFUPOVCROX-KBXCAEBGSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCCC23C[NH2+]C3)c1F ZINC001246642739 1314661896 /nfs/dbraw/zinc/66/18/96/1314661896.db2.gz OGTXCHRRBJTKOP-LBPRGKRZSA-N 1 0 337.395 2.501 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@H]1Cc1ccccc1)C2 ZINC001246816092 1314689277 /nfs/dbraw/zinc/68/92/77/1314689277.db2.gz CXIKXKKCFXATDF-UXHICEINSA-N 1 0 337.423 2.579 20 5 EFBDRO CCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246854664 1314697745 /nfs/dbraw/zinc/69/77/45/1314697745.db2.gz QMYAVHIUQQXIGF-CHWSQXEVSA-N 1 0 339.411 2.747 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246940158 1314711023 /nfs/dbraw/zinc/71/10/23/1314711023.db2.gz XIYBNUDUKCAISY-NXHRZFHOSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246952136 1314714115 /nfs/dbraw/zinc/71/41/15/1314714115.db2.gz TZUACUAHRQGQGQ-USXIJHARSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246952168 1314714139 /nfs/dbraw/zinc/71/41/39/1314714139.db2.gz XIYBNUDUKCAISY-RYQLBKOJSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247598035 1314806080 /nfs/dbraw/zinc/80/60/80/1314806080.db2.gz SWNDQNQXPSMMAB-SOFGYWHQSA-N 1 0 349.350 2.856 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000401501020 1314810561 /nfs/dbraw/zinc/81/05/61/1314810561.db2.gz YNNNCIQOOPVLDT-NSHDSACASA-N 1 0 329.194 2.968 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2c(F)ccc([N+](=O)[O-])c2F)CC1 ZINC001215291941 1314810649 /nfs/dbraw/zinc/81/06/49/1314810649.db2.gz JTOAOYVCNKSIIN-UHFFFAOYSA-N 1 0 349.341 2.763 20 5 EFBDRO Cc1cccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1[N+](=O)[O-] ZINC001215372000 1314825887 /nfs/dbraw/zinc/82/58/87/1314825887.db2.gz AOSBCSYGWMNLID-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO OC1(Cc2nc(-c3cc4ccccc4c4ccccc34)no2)C[NH2+]C1 ZINC001247792389 1314841664 /nfs/dbraw/zinc/84/16/64/1314841664.db2.gz PXBLKXOYQOAALE-UHFFFAOYSA-N 1 0 331.375 2.920 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000405092437 1315030609 /nfs/dbraw/zinc/03/06/09/1315030609.db2.gz QYVDENCGLAGSSY-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO Cc1cnccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249277937 1315043930 /nfs/dbraw/zinc/04/39/30/1315043930.db2.gz BFARCSWMXOJPEH-CQSZACIVSA-N 1 0 325.328 2.591 20 5 EFBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CCCCC1 ZINC001249322871 1315053153 /nfs/dbraw/zinc/05/31/53/1315053153.db2.gz GXTWENHFWLNVRX-LLVKDONJSA-N 1 0 335.339 2.629 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001318369758 1328566533 /nfs/dbraw/zinc/56/65/33/1328566533.db2.gz HFCCYKLSIIFBDJ-WBVHZDCISA-N 1 0 344.415 2.539 20 5 EFBDRO O=[N+]([O-])c1ccccc1[C@@H](OCCN1CC[NH2+]CC1)c1ccccc1 ZINC001217930136 1315122013 /nfs/dbraw/zinc/12/20/13/1315122013.db2.gz NDNWUDJZHRLTRJ-IBGZPJMESA-N 1 0 341.411 2.606 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217948755 1315123466 /nfs/dbraw/zinc/12/34/66/1315123466.db2.gz VFMYMOGZXRUVOW-QWRGUYRKSA-N 1 0 333.157 2.826 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC[C@@H]2F)c1 ZINC001217959129 1315125433 /nfs/dbraw/zinc/12/54/33/1315125433.db2.gz LAYUUNDNYRQWSU-FZMZJTMJSA-N 1 0 340.351 2.629 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CCC[NH2+]C1)CCC2 ZINC001217962875 1315126146 /nfs/dbraw/zinc/12/61/46/1315126146.db2.gz IPYHHLJXLDCIDZ-SNVBAGLBSA-N 1 0 341.205 2.977 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217973335 1315127888 /nfs/dbraw/zinc/12/78/88/1315127888.db2.gz BGKRKPGZUXMUBE-JOYOIKCWSA-N 1 0 338.257 2.962 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217973329 1315127920 /nfs/dbraw/zinc/12/79/20/1315127920.db2.gz BGKRKPGZUXMUBE-BXKDBHETSA-N 1 0 338.257 2.962 20 5 EFBDRO Cc1nc(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981032 1315128324 /nfs/dbraw/zinc/12/83/24/1315128324.db2.gz NVGKVJWPHOJJLX-MWLCHTKSSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217986608 1315129690 /nfs/dbraw/zinc/12/96/90/1315129690.db2.gz UDHTVKUXIUBOIO-KWQFWETISA-N 1 0 349.156 2.532 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001218043692 1315138103 /nfs/dbraw/zinc/13/81/03/1315138103.db2.gz NGWBGGQBFMUEIG-BMLIUANNSA-N 1 0 341.363 2.734 20 5 EFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2COC3(C[NH2+]C3)C2)c1Cl ZINC001218061850 1315140715 /nfs/dbraw/zinc/14/07/15/1315140715.db2.gz YMXFDTIHYSDYGX-QMMMGPOBSA-N 1 0 347.198 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)cc1 ZINC001218082341 1315145757 /nfs/dbraw/zinc/14/57/57/1315145757.db2.gz WJDNEDAFLOCGHR-ATZDWAIDSA-N 1 0 340.379 2.875 20 5 EFBDRO O=c1cc(O[C@@H]2CCC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218079319 1315145779 /nfs/dbraw/zinc/14/57/79/1315145779.db2.gz DATZXFBWHMMERV-OAHLLOKOSA-N 1 0 329.356 2.760 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218088392 1315146761 /nfs/dbraw/zinc/14/67/61/1315146761.db2.gz DRXOIHYLCOIBJA-DOTOQJQBSA-N 1 0 334.372 2.683 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[C@H]4C[NH2+]CCN4C3)c2)c1 ZINC001218107082 1315149694 /nfs/dbraw/zinc/14/96/94/1315149694.db2.gz HRFMBKYQNRHESK-PKOBYXMFSA-N 1 0 339.395 2.687 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001218144148 1315154821 /nfs/dbraw/zinc/15/48/21/1315154821.db2.gz CLXRMQDUPIKWRX-VNHYZAJKSA-N 1 0 334.372 2.538 20 5 EFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2C[NH2+]CCO2)c1Cl ZINC001218178991 1315160083 /nfs/dbraw/zinc/16/00/83/1315160083.db2.gz IWRMNPGWNZUIJY-MRVPVSSYSA-N 1 0 335.187 2.831 20 5 EFBDRO CCC(=O)[C@H]1C[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218324022 1315178724 /nfs/dbraw/zinc/17/87/24/1315178724.db2.gz WJKGHDHUMIHIEW-GMSGAONNSA-N 1 0 333.171 2.990 20 5 EFBDRO CCC(=O)[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218323345 1315179063 /nfs/dbraw/zinc/17/90/63/1315179063.db2.gz HXAYOQQUGNTBGU-GMSGAONNSA-N 1 0 333.171 2.990 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC001218398102 1315189241 /nfs/dbraw/zinc/18/92/41/1315189241.db2.gz IBJMLVPKTBYTTF-APPZFPTMSA-N 1 0 330.182 2.580 20 5 EFBDRO Cc1nc(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218397503 1315189447 /nfs/dbraw/zinc/18/94/47/1315189447.db2.gz FAJAXFSFHATKLJ-APPZFPTMSA-N 1 0 330.182 2.580 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2ccccc21 ZINC001218445568 1315196608 /nfs/dbraw/zinc/19/66/08/1315196608.db2.gz WDOBKACQDXOBOD-BCQZVRRWSA-N 1 0 329.312 2.785 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)cc(C(F)(F)F)c1 ZINC001218454187 1315198960 /nfs/dbraw/zinc/19/89/60/1315198960.db2.gz OVYCBXLBYMZCEC-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC001218473869 1315201902 /nfs/dbraw/zinc/20/19/02/1315201902.db2.gz SERLOHIJKMRALH-PTOFAABTSA-N 1 0 327.178 2.734 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218477918 1315202163 /nfs/dbraw/zinc/20/21/63/1315202163.db2.gz PFRJBXPNAOCVBI-OUCADQQQSA-N 1 0 334.372 2.822 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218483567 1315203285 /nfs/dbraw/zinc/20/32/85/1315203285.db2.gz SDPFZTKLUDTNOD-ABAIWWIYSA-N 1 0 336.388 2.927 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489609 1315204954 /nfs/dbraw/zinc/20/49/54/1315204954.db2.gz PIWGCJHOJFHMCE-KRWDZBQOSA-N 1 0 342.351 2.913 20 5 EFBDRO CC(C)(CCc1nc2cc(F)c(N3CCOCC3)cc2[nH]1)[N+](=O)[O-] ZINC001250596680 1315228855 /nfs/dbraw/zinc/22/88/55/1315228855.db2.gz GSHNSHBFDSBTFU-UHFFFAOYSA-N 1 0 336.367 2.527 20 5 EFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc32)CC1 ZINC001250661506 1315238111 /nfs/dbraw/zinc/23/81/11/1315238111.db2.gz BDYMYFHMLNGZTE-UHFFFAOYSA-N 1 0 337.383 2.890 20 5 EFBDRO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218860500 1315252789 /nfs/dbraw/zinc/25/27/89/1315252789.db2.gz YSYSEIACCXEOAF-OXNYHJJDSA-N 1 0 347.422 2.548 20 5 EFBDRO CC(C)(C)OC[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218978871 1315267124 /nfs/dbraw/zinc/26/71/24/1315267124.db2.gz BSPNGKGJQNXVNQ-AWEZNQCLSA-N 1 0 338.411 2.864 20 5 EFBDRO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218978783 1315267402 /nfs/dbraw/zinc/26/74/02/1315267402.db2.gz AHVYTANNKDPKJV-YEWWUXTCSA-N 1 0 332.407 2.966 20 5 EFBDRO Nc1ccc2n(C(=O)C=C3CC[NH2+]CC3)c3ccccc3cc-2c1=O ZINC001219255603 1315294699 /nfs/dbraw/zinc/29/46/99/1315294699.db2.gz HBSZGDBNQVVRQW-UHFFFAOYSA-N 1 0 333.391 2.639 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1c[nH]cn1 ZINC001219606246 1315329029 /nfs/dbraw/zinc/32/90/29/1315329029.db2.gz IIPZDPRQLCLMRR-FQEVSTJZSA-N 1 0 344.418 2.902 20 5 EFBDRO CN(CC[NH3+])CCNC(=O)CCc1c2ccccc2cc2ccccc21 ZINC001220517312 1315422490 /nfs/dbraw/zinc/42/24/90/1315422490.db2.gz GPKPBXYAQUPEQV-UHFFFAOYSA-N 1 0 349.478 2.932 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001220898174 1315462010 /nfs/dbraw/zinc/46/20/10/1315462010.db2.gz ADEGKBBYPHZLHQ-NSHDSACASA-N 1 0 338.436 2.879 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001220898173 1315462321 /nfs/dbraw/zinc/46/23/21/1315462321.db2.gz ADEGKBBYPHZLHQ-LLVKDONJSA-N 1 0 338.436 2.879 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826733166 1315533557 /nfs/dbraw/zinc/53/35/57/1315533557.db2.gz FDNBNADNSZVEEM-UHFFFAOYSA-N 1 0 327.469 2.696 20 5 EFBDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC001254004021 1315664561 /nfs/dbraw/zinc/66/45/61/1315664561.db2.gz FGFZDSGSADATHR-VFQAQYNWSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC001254004023 1315664576 /nfs/dbraw/zinc/66/45/76/1315664576.db2.gz FGFZDSGSADATHR-YFCVBGDOSA-N 1 0 329.400 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cn(CCF)cn3)CC2)cc1 ZINC001254470702 1315706792 /nfs/dbraw/zinc/70/67/92/1315706792.db2.gz QMVKHBJVDJUHQX-UHFFFAOYSA-N 1 0 347.394 2.519 20 5 EFBDRO Cn1cc(C2([NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cn1 ZINC001254466185 1315706812 /nfs/dbraw/zinc/70/68/12/1315706812.db2.gz XDCSBONOLKLWDG-UHFFFAOYSA-N 1 0 341.415 2.576 20 5 EFBDRO CN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466148 1315707150 /nfs/dbraw/zinc/70/71/50/1315707150.db2.gz VJNRSWMWLHQOBO-GOSISDBHSA-N 1 0 332.448 2.638 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cncnc1 ZINC001254466709 1315707181 /nfs/dbraw/zinc/70/71/81/1315707181.db2.gz MRAYJXZHRIHWHQ-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccn(CCF)n3)CC2)cc1 ZINC001254470769 1315707200 /nfs/dbraw/zinc/70/72/00/1315707200.db2.gz UEOONSVXDLTPTK-UHFFFAOYSA-N 1 0 347.394 2.519 20 5 EFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC001254473548 1315707435 /nfs/dbraw/zinc/70/74/35/1315707435.db2.gz FDFKEGPPQADGGO-CQSZACIVSA-N 1 0 331.416 2.865 20 5 EFBDRO C[C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1CO ZINC001254474125 1315707449 /nfs/dbraw/zinc/70/74/49/1315707449.db2.gz MMMNOUBXLJCSQX-KSSFIOAISA-N 1 0 333.432 2.656 20 5 EFBDRO CC(C)C[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254473902 1315707602 /nfs/dbraw/zinc/70/76/02/1315707602.db2.gz DSHIJESXWKZQOK-UHFFFAOYSA-N 1 0 346.475 2.837 20 5 EFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@]1(C)O ZINC001254474734 1315707655 /nfs/dbraw/zinc/70/76/55/1315707655.db2.gz UXLRMDXPCAWBEK-RDTXWAMCSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H](CCO)C3)CC2)cc1 ZINC001254480135 1315708211 /nfs/dbraw/zinc/70/82/11/1315708211.db2.gz WGPKBZGVRHUNAM-HNNXBMFYSA-N 1 0 333.432 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CCCC[C@@H]4C3)CC2)cc1 ZINC001254478411 1315708394 /nfs/dbraw/zinc/70/83/94/1315708394.db2.gz BHUBGTNMULJXKN-LJQANCHMSA-N 1 0 344.459 2.734 20 5 EFBDRO Cc1ncc(C[N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254480847 1315708728 /nfs/dbraw/zinc/70/87/28/1315708728.db2.gz NDLXMFAYZWBNIS-UHFFFAOYSA-N 1 0 341.415 2.794 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001001108380 1315711813 /nfs/dbraw/zinc/71/18/13/1315711813.db2.gz BRHSKVWVRYOOEC-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC001254533035 1315719970 /nfs/dbraw/zinc/71/99/70/1315719970.db2.gz IXRBQOWRQUGDID-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532594 1315720320 /nfs/dbraw/zinc/72/03/20/1315720320.db2.gz PFCJVQYHVMZBCM-CYBMUJFWSA-N 1 0 325.372 2.667 20 5 EFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531337 1315720654 /nfs/dbraw/zinc/72/06/54/1315720654.db2.gz DPXAMQAGEBQZTI-CZUORRHYSA-N 1 0 345.399 2.643 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001254539271 1315721184 /nfs/dbraw/zinc/72/11/84/1315721184.db2.gz CJEBOYZVXVWDHD-ZFWWWQNUSA-N 1 0 327.384 2.752 20 5 EFBDRO CCOC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254539113 1315721197 /nfs/dbraw/zinc/72/11/97/1315721197.db2.gz FVFHBVUIEUWIBR-CYBMUJFWSA-N 1 0 343.383 2.887 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)COCc1ccccc1 ZINC001254543508 1315721835 /nfs/dbraw/zinc/72/18/35/1315721835.db2.gz SMIFKPPVYQBFPA-YJBOKZPZSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1cccc(F)c1 ZINC001254544098 1315721920 /nfs/dbraw/zinc/72/19/20/1315721920.db2.gz VADMEUWWMYPTKT-SUMWQHHRSA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1CCOCC1)C(C)(C)C ZINC001254548397 1315722077 /nfs/dbraw/zinc/72/20/77/1315722077.db2.gz IJIDNIPEQDBLIS-MAUKXSAKSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2cccnc2)C1 ZINC001254545291 1315722088 /nfs/dbraw/zinc/72/20/88/1315722088.db2.gz CAKVVYCHNQVGMJ-YJBOKZPZSA-N 1 0 340.427 2.785 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001254549021 1315722180 /nfs/dbraw/zinc/72/21/80/1315722180.db2.gz PPNJRPABSZLNJE-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CC(=O)N1CCCC1 ZINC001254549454 1315722201 /nfs/dbraw/zinc/72/22/01/1315722201.db2.gz VZLOGWOQTHEJLF-AWEZNQCLSA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C(=O)Nc2ccccc21 ZINC001254549335 1315722221 /nfs/dbraw/zinc/72/22/21/1315722221.db2.gz RWZCGISKKPQPON-SWLSCSKDSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ncccc2C1 ZINC001254555080 1315722835 /nfs/dbraw/zinc/72/28/35/1315722835.db2.gz FOFUVGVRBWDZCN-CQSZACIVSA-N 1 0 326.400 2.873 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001254552054 1315722913 /nfs/dbraw/zinc/72/29/13/1315722913.db2.gz INPOLPASXMHJBD-FZMZJTMJSA-N 1 0 332.322 2.773 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001254549708 1315723025 /nfs/dbraw/zinc/72/30/25/1315723025.db2.gz XRAJSRNJDWAIGM-CJNGLKHVSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001254558396 1315723623 /nfs/dbraw/zinc/72/36/23/1315723623.db2.gz FVHFSBJUGROINE-CYBMUJFWSA-N 1 0 339.386 2.941 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001254560014 1315723677 /nfs/dbraw/zinc/72/36/77/1315723677.db2.gz OQUBVSCNLCWWOY-ZDUSSCGKSA-N 1 0 333.432 2.749 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001254563619 1315723981 /nfs/dbraw/zinc/72/39/81/1315723981.db2.gz ZOYUISUWSKUBAO-ZFKCKOODSA-N 1 0 346.427 2.652 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001254563478 1315724087 /nfs/dbraw/zinc/72/40/87/1315724087.db2.gz WXULBXNBQMIJPP-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001254561037 1315724339 /nfs/dbraw/zinc/72/43/39/1315724339.db2.gz DNBNJQQZKSCKRD-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001254567602 1315724609 /nfs/dbraw/zinc/72/46/09/1315724609.db2.gz XPALFZYENIQMHB-BNOWGMLFSA-N 1 0 326.343 2.739 20 5 EFBDRO Cc1cc2c(cc1C[NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)OCCO2 ZINC001254566983 1315724666 /nfs/dbraw/zinc/72/46/66/1315724666.db2.gz MCTNDDXWLCTAPG-MRXNPFEDSA-N 1 0 340.379 2.931 20 5 EFBDRO COCCCC[NH+]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567993 1315724714 /nfs/dbraw/zinc/72/47/14/1315724714.db2.gz DWPQMYAXULOEFS-MRXNPFEDSA-N 1 0 335.448 2.570 20 5 EFBDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564894 1315724854 /nfs/dbraw/zinc/72/48/54/1315724854.db2.gz BJWKSTMROBDTBN-HNNXBMFYSA-N 1 0 349.431 2.957 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1cnccn1)C1CC[NH2+]CC1 ZINC001254568259 1315724858 /nfs/dbraw/zinc/72/48/58/1315724858.db2.gz YNYOCJKDHLOFMF-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO COc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC001254567529 1315724994 /nfs/dbraw/zinc/72/49/94/1315724994.db2.gz PCJJHGQEUMPOHG-OAHLLOKOSA-N 1 0 328.368 2.869 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC001254569825 1315725386 /nfs/dbraw/zinc/72/53/86/1315725386.db2.gz LFQCPOIIWRHRMD-GOEBONIOSA-N 1 0 342.399 2.778 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254568850 1315725433 /nfs/dbraw/zinc/72/54/33/1315725433.db2.gz VBIDTJIUFCEPMO-HNNXBMFYSA-N 1 0 328.368 2.869 20 5 EFBDRO Cc1cnc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC001254569828 1315725669 /nfs/dbraw/zinc/72/56/69/1315725669.db2.gz LFQCPOIIWRHRMD-HOCLYGCPSA-N 1 0 342.399 2.778 20 5 EFBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254574611 1315726068 /nfs/dbraw/zinc/72/60/68/1315726068.db2.gz JITVYTSDFZFZRU-MRXNPFEDSA-N 1 0 325.368 2.680 20 5 EFBDRO COC(=O)c1ccccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573025 1315726101 /nfs/dbraw/zinc/72/61/01/1315726101.db2.gz VNRCAXDZBZRJGG-OAHLLOKOSA-N 1 0 326.352 2.638 20 5 EFBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254573375 1315726235 /nfs/dbraw/zinc/72/62/35/1315726235.db2.gz YKHAIZDFMAZQTM-KRWDZBQOSA-N 1 0 325.368 2.810 20 5 EFBDRO CCN(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254576930 1315726382 /nfs/dbraw/zinc/72/63/82/1315726382.db2.gz AXYRGUZPZCIEPU-OAHLLOKOSA-N 1 0 349.431 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(F)cc3c1OCOC3)C2 ZINC001254575328 1315726427 /nfs/dbraw/zinc/72/64/27/1315726427.db2.gz PSGVANNZZYAQHR-MRXNPFEDSA-N 1 0 344.342 2.857 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)C2 ZINC001254579645 1315726495 /nfs/dbraw/zinc/72/64/95/1315726495.db2.gz UUOKQNZDDXQCOS-CRAIPNDOSA-N 1 0 326.396 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)Cc1cccc(Cl)c1)C2 ZINC001254578169 1315726551 /nfs/dbraw/zinc/72/65/51/1315726551.db2.gz JYWBRYATMJDKGF-IAGOWNOFSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC001254577548 1315726678 /nfs/dbraw/zinc/72/66/78/1315726678.db2.gz FKVBXTLGQWLBGO-GUYCJALGSA-N 1 0 334.322 2.663 20 5 EFBDRO COC(=O)CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254582011 1315726886 /nfs/dbraw/zinc/72/68/86/1315726886.db2.gz RUPKMDQKSUHMEM-OAHLLOKOSA-N 1 0 332.400 2.918 20 5 EFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580261 1315726937 /nfs/dbraw/zinc/72/69/37/1315726937.db2.gz CVKKGQJSGOJXEP-SWLSCSKDSA-N 1 0 349.431 2.955 20 5 EFBDRO O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579939 1315726942 /nfs/dbraw/zinc/72/69/42/1315726942.db2.gz XGPRYMKVQSPUAD-MAUKXSAKSA-N 1 0 337.379 2.605 20 5 EFBDRO O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579938 1315726944 /nfs/dbraw/zinc/72/69/44/1315726944.db2.gz XGPRYMKVQSPUAD-CRAIPNDOSA-N 1 0 337.379 2.605 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254580883 1315727010 /nfs/dbraw/zinc/72/70/10/1315727010.db2.gz GTAOWKFFHFRZMR-INIZCTEOSA-N 1 0 326.352 2.638 20 5 EFBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254581648 1315727117 /nfs/dbraw/zinc/72/71/17/1315727117.db2.gz PPCYBVPGYPPKQI-XJKCOSOUSA-N 1 0 332.400 2.631 20 5 EFBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586945 1315728013 /nfs/dbraw/zinc/72/80/13/1315728013.db2.gz NFWRBIDQTLRGAO-BRWVUGGUSA-N 1 0 345.443 2.735 20 5 EFBDRO CC(F)(F)c1ncncc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587878 1315728028 /nfs/dbraw/zinc/72/80/28/1315728028.db2.gz BWOHMFXHBSTFEN-ZDUSSCGKSA-N 1 0 334.326 2.754 20 5 EFBDRO COC(=O)Cc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588411 1315728037 /nfs/dbraw/zinc/72/80/37/1315728037.db2.gz FPTOUHYGRANNLB-KRWDZBQOSA-N 1 0 340.379 2.567 20 5 EFBDRO COc1cccc2c1OC[C@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587909 1315728046 /nfs/dbraw/zinc/72/80/46/1315728046.db2.gz CEORYQAWWZEDFF-CZUORRHYSA-N 1 0 326.352 2.794 20 5 EFBDRO COc1ccc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254585287 1315728051 /nfs/dbraw/zinc/72/80/51/1315728051.db2.gz DBOCUOBTINLHRH-OAHLLOKOSA-N 1 0 339.395 2.787 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001254593395 1315728337 /nfs/dbraw/zinc/72/83/37/1315728337.db2.gz LZUMTBBPOQAAGJ-CABCVRRESA-N 1 0 344.333 2.841 20 5 EFBDRO O=C1Nc2ccccc2[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254593157 1315728706 /nfs/dbraw/zinc/72/87/06/1315728706.db2.gz JOKAVPUTQOHHEA-JQHSSLGASA-N 1 0 349.390 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3cc4c(cc3C1)OCO4)C2 ZINC001254593596 1315729106 /nfs/dbraw/zinc/72/91/06/1315729106.db2.gz NEGYUNLCIVTSRU-QGZVFWFLSA-N 1 0 338.363 2.849 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597423 1315729327 /nfs/dbraw/zinc/72/93/27/1315729327.db2.gz VNOSVYUNWGBNAD-OXJNMPFZSA-N 1 0 349.390 2.658 20 5 EFBDRO Cc1ccnc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254603659 1315729743 /nfs/dbraw/zinc/72/97/43/1315729743.db2.gz PYYAMEXTXGZXNS-GOSISDBHSA-N 1 0 338.411 2.588 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001254606836 1315730492 /nfs/dbraw/zinc/73/04/92/1315730492.db2.gz IDYUNIYDELVYSO-WMZOPIPTSA-N 1 0 325.368 2.610 20 5 EFBDRO CCOC(=O)N1CCC([N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604921 1315730501 /nfs/dbraw/zinc/73/05/01/1315730501.db2.gz YYRZDRYYQXARBT-KRWDZBQOSA-N 1 0 347.415 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001254607978 1315730691 /nfs/dbraw/zinc/73/06/91/1315730691.db2.gz OAKDVANVMFYJJG-CTNGQTDRSA-N 1 0 349.434 2.977 20 5 EFBDRO CC(C)C(=O)N(C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605229 1315730712 /nfs/dbraw/zinc/73/07/12/1315730712.db2.gz AMIKZEBTUBLVCT-SFHVURJKSA-N 1 0 345.443 2.641 20 5 EFBDRO CC(=O)N(C(C)C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609269 1315730860 /nfs/dbraw/zinc/73/08/60/1315730860.db2.gz UYLBKOCIEVTOCE-LJQANCHMSA-N 1 0 345.443 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C1)C2 ZINC001254610558 1315731140 /nfs/dbraw/zinc/73/11/40/1315731140.db2.gz NMNBDFFDQPXVLR-CEXWTWQISA-N 1 0 347.434 2.960 20 5 EFBDRO O=C1CCCCN1C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608769 1315731143 /nfs/dbraw/zinc/73/11/43/1315731143.db2.gz SMRRSYIAVACIDA-GOSISDBHSA-N 1 0 343.427 2.539 20 5 EFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)o1 ZINC001254609576 1315731366 /nfs/dbraw/zinc/73/13/66/1315731366.db2.gz XPCKFKVAPJHKJG-BBRMVZONSA-N 1 0 328.372 2.633 20 5 EFBDRO CC(C)(C)C(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254612754 1315731901 /nfs/dbraw/zinc/73/19/01/1315731901.db2.gz YPOTVNZPRMDHCU-QGZVFWFLSA-N 1 0 345.443 2.689 20 5 EFBDRO COc1cc(N2CCC(n3ccnc3[C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256083508 1315903379 /nfs/dbraw/zinc/90/33/79/1315903379.db2.gz QYYYMJUTXXLKQA-GFCCVEGCSA-N 1 0 345.403 2.661 20 5 EFBDRO COc1cc(N2CCC(n3ccc(C[NH3+])c3)CC2)ccc1[N+](=O)[O-] ZINC001256087690 1315903640 /nfs/dbraw/zinc/90/36/40/1315903640.db2.gz LNAMQVAOZRPXJW-UHFFFAOYSA-N 1 0 330.388 2.705 20 5 EFBDRO COC[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256094367 1315904179 /nfs/dbraw/zinc/90/41/79/1315904179.db2.gz YLFZGJQXOQLDTK-CQSZACIVSA-N 1 0 349.431 2.541 20 5 EFBDRO COc1cc(N2CCC(N(C)Cc3ccon3)CC2)ccc1[N+](=O)[O-] ZINC001256100259 1315904331 /nfs/dbraw/zinc/90/43/31/1315904331.db2.gz CDUXHNTXAFYPIZ-UHFFFAOYSA-N 1 0 346.387 2.692 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@]3(C)CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256094936 1315904473 /nfs/dbraw/zinc/90/44/73/1315904473.db2.gz RCVALEADYHRBEH-SFHVURJKSA-N 1 0 349.431 2.731 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318481753 1328613057 /nfs/dbraw/zinc/61/30/57/1328613057.db2.gz UYVYTKSPOMZGBE-HOCLYGCPSA-N 1 0 346.431 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC3(CC1)OCCO3)CC2 ZINC001256394297 1315934834 /nfs/dbraw/zinc/93/48/34/1315934834.db2.gz CVHRZLRMEDZLNI-UHFFFAOYSA-N 1 0 332.400 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC001258020309 1316112888 /nfs/dbraw/zinc/11/28/88/1316112888.db2.gz QSHFJULYCFDGFT-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO O=C(C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040569215 1316325094 /nfs/dbraw/zinc/32/50/94/1316325094.db2.gz FEMUVAKTIIKJQK-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO O=C(C1CCCC1)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072386786 1316379510 /nfs/dbraw/zinc/37/95/10/1316379510.db2.gz YHULVCARHQVLSU-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO O=C(c1ccoc1)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072467087 1316388645 /nfs/dbraw/zinc/38/86/45/1316388645.db2.gz ZHUFGEQQLIEOAV-UHFFFAOYSA-N 1 0 341.367 2.536 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001261654657 1316423262 /nfs/dbraw/zinc/42/32/62/1316423262.db2.gz XZHODCNKTRZKMM-UHFFFAOYSA-N 1 0 335.795 2.722 20 5 EFBDRO C[N@H+](CCc1ccccc1)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261908187 1316437360 /nfs/dbraw/zinc/43/73/60/1316437360.db2.gz FDVVYUYTNSTOHU-UHFFFAOYSA-N 1 0 339.395 2.612 20 5 EFBDRO Cc1cccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001262831328 1316494604 /nfs/dbraw/zinc/49/46/04/1316494604.db2.gz AOYKOIDIZNCYMP-UHFFFAOYSA-N 1 0 340.383 2.697 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001263235005 1316523494 /nfs/dbraw/zinc/52/34/94/1316523494.db2.gz USGRQPAWMVEGRQ-UHFFFAOYSA-N 1 0 337.445 2.954 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001263628801 1316552751 /nfs/dbraw/zinc/55/27/51/1316552751.db2.gz IVSZAPGZTKEPOS-WFASDCNBSA-N 1 0 348.403 2.694 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318773124 1328694569 /nfs/dbraw/zinc/69/45/69/1328694569.db2.gz XSXXWJFTDKGZDG-MRXNPFEDSA-N 1 0 346.431 2.885 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000818609747 1319270249 /nfs/dbraw/zinc/27/02/49/1319270249.db2.gz XQHLSVLEEOTWFB-MRXNPFEDSA-N 1 0 339.395 2.752 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CCC[N@@H+]4CCC[C@@H]4C3)c2c(Cl)c1 ZINC001319798048 1328993428 /nfs/dbraw/zinc/99/34/28/1328993428.db2.gz BXCGQUGNRFBGFX-CYBMUJFWSA-N 1 0 349.822 2.726 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052098 1329065836 /nfs/dbraw/zinc/06/58/36/1329065836.db2.gz LGICAPIJUVUEHL-QWHCGFSZSA-N 1 0 331.372 2.852 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320127923 1329090843 /nfs/dbraw/zinc/09/08/43/1329090843.db2.gz WEJFQGVTHZRXFF-KBPBESRZSA-N 1 0 341.358 2.676 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC(F)(F)F ZINC001320377637 1329119577 /nfs/dbraw/zinc/11/95/77/1329119577.db2.gz AXNYPGMQEQZCKF-UHFFFAOYSA-N 1 0 337.273 2.947 20 5 EFBDRO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001320495017 1329145174 /nfs/dbraw/zinc/14/51/74/1329145174.db2.gz CHGIAGWJKFNWIV-VFQAQYNWSA-N 1 0 326.356 2.957 20 5 EFBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001321434793 1329386658 /nfs/dbraw/zinc/38/66/58/1329386658.db2.gz GAVHRJCJUNJTFI-LLVKDONJSA-N 1 0 340.763 2.605 20 5 EFBDRO CCC(=O)c1ccc(NCC(C)(C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001321542993 1329394459 /nfs/dbraw/zinc/39/44/59/1329394459.db2.gz VZBLDUBHZAPTSN-UHFFFAOYSA-N 1 0 348.447 2.625 20 5 EFBDRO CC1CC[NH+](CCc2nnc(CNc3ccccc3[N+](=O)[O-])o2)CC1 ZINC001322360052 1329452030 /nfs/dbraw/zinc/45/20/30/1329452030.db2.gz PGPTZKVNMZFMRX-UHFFFAOYSA-N 1 0 345.403 2.864 20 5 EFBDRO COc1ccc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cc1[N+](=O)[O-] ZINC001322360598 1329452128 /nfs/dbraw/zinc/45/21/28/1329452128.db2.gz SAZJUCPQDKGLDO-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001322418699 1329457457 /nfs/dbraw/zinc/45/74/57/1329457457.db2.gz YCMBKWRBOPXOFL-QGZVFWFLSA-N 1 0 333.432 2.860 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001322711167 1329481837 /nfs/dbraw/zinc/48/18/37/1329481837.db2.gz MNVMECQEQMRPAN-IAGOWNOFSA-N 1 0 348.447 2.776 20 5 EFBDRO CCC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC001322869313 1329496056 /nfs/dbraw/zinc/49/60/56/1329496056.db2.gz OGRRUZOHXNWLTN-GOSISDBHSA-N 1 0 335.448 2.730 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001323086377 1329510357 /nfs/dbraw/zinc/51/03/57/1329510357.db2.gz ZLCAPIQVOYRWIV-INIZCTEOSA-N 1 0 331.416 2.569 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001323086378 1329510398 /nfs/dbraw/zinc/51/03/98/1329510398.db2.gz ZLCAPIQVOYRWIV-MRXNPFEDSA-N 1 0 331.416 2.569 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001323291497 1329531808 /nfs/dbraw/zinc/53/18/08/1329531808.db2.gz DPFWZYNAXOLBRC-JGGQBBKZSA-N 1 0 340.445 2.550 20 5 EFBDRO C[C@@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556100 1329551395 /nfs/dbraw/zinc/55/13/95/1329551395.db2.gz FYLCJWDOYKWQRP-ABAIWWIYSA-N 1 0 328.372 2.939 20 5 EFBDRO C[C@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556106 1329551452 /nfs/dbraw/zinc/55/14/52/1329551452.db2.gz FYLCJWDOYKWQRP-XHDPSFHLSA-N 1 0 328.372 2.939 20 5 EFBDRO COc1ccc(COC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001323875600 1329582395 /nfs/dbraw/zinc/58/23/95/1329582395.db2.gz ADBDGSWKFDXUPY-UHFFFAOYSA-N 1 0 341.323 2.917 20 5 EFBDRO Cc1nn(C)c(-c2nnc([C@H](C)C[NH+]3CCC(C)CC3)o2)c1[N+](=O)[O-] ZINC001324133260 1329602276 /nfs/dbraw/zinc/60/22/76/1329602276.db2.gz LMMOBNOPKHECDH-LLVKDONJSA-N 1 0 348.407 2.522 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001324270460 1329612327 /nfs/dbraw/zinc/61/23/27/1329612327.db2.gz ANQGLFZDVYJIST-HOCLYGCPSA-N 1 0 326.400 2.968 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001324270461 1329612565 /nfs/dbraw/zinc/61/25/65/1329612565.db2.gz ANQGLFZDVYJIST-ZBFHGGJFSA-N 1 0 326.400 2.968 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001324409036 1329624523 /nfs/dbraw/zinc/62/45/23/1329624523.db2.gz IVTGYNSLQIWXIG-WPMUKRGUSA-N 1 0 341.415 2.600 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325253113 1329676798 /nfs/dbraw/zinc/67/67/98/1329676798.db2.gz LRMAEHSIFMOZFF-IAGOWNOFSA-N 1 0 348.447 2.652 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001325841039 1329715681 /nfs/dbraw/zinc/71/56/81/1329715681.db2.gz UYCOOMAXBLBLJJ-KRWDZBQOSA-N 1 0 334.416 2.957 20 5 EFBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001325844615 1329716002 /nfs/dbraw/zinc/71/60/02/1329716002.db2.gz ZDQBNYIUELSDCG-SJORKVTESA-N 1 0 334.347 2.745 20 5 EFBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001326076738 1329732424 /nfs/dbraw/zinc/73/24/24/1329732424.db2.gz VOVQNHPNVIVZKB-AWEZNQCLSA-N 1 0 348.447 2.559 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326076918 1329732441 /nfs/dbraw/zinc/73/24/41/1329732441.db2.gz SDKOJSZSVRSWGC-UHFFFAOYSA-N 1 0 332.404 2.901 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001326650138 1330336911 /nfs/dbraw/zinc/33/69/11/1330336911.db2.gz QKMOBHCELBNSRQ-LBPRGKRZSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC001326845698 1330373657 /nfs/dbraw/zinc/37/36/57/1330373657.db2.gz WYVDMDXIXFZTRB-CZUORRHYSA-N 1 0 331.416 2.820 20 5 EFBDRO C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC001327662891 1330506096 /nfs/dbraw/zinc/50/60/96/1330506096.db2.gz RNNZSMGPYIRZMS-ZJUUUORDSA-N 1 0 335.795 2.720 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327918899 1330529895 /nfs/dbraw/zinc/52/98/95/1330529895.db2.gz WUTYUUHKGWFXOI-UHFFFAOYSA-N 1 0 325.368 2.513 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328555916 1330602546 /nfs/dbraw/zinc/60/25/46/1330602546.db2.gz FYZGMHPCMHEJLC-NXEZZACHSA-N 1 0 335.795 2.720 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328573901 1330603941 /nfs/dbraw/zinc/60/39/41/1330603941.db2.gz LYMRJIWQUVTBPK-NSHDSACASA-N 1 0 325.796 2.644 20 5 EFBDRO COc1cccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001330657696 1330764568 /nfs/dbraw/zinc/76/45/68/1330764568.db2.gz NMOHSTFVDGAMML-MRXNPFEDSA-N 1 0 330.388 2.945 20 5 EFBDRO Cn1ccnc1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC001331220015 1330807060 /nfs/dbraw/zinc/80/70/60/1330807060.db2.gz AVZQBPZEFZDBGR-OAHLLOKOSA-N 1 0 344.415 2.656 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001331892128 1330886294 /nfs/dbraw/zinc/88/62/94/1330886294.db2.gz FGSDCXYTGUPSEA-AWEZNQCLSA-N 1 0 348.447 2.907 20 5 EFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001331907497 1330889215 /nfs/dbraw/zinc/88/92/15/1330889215.db2.gz NQBGWYWMGGHMDM-CQSZACIVSA-N 1 0 346.431 2.537 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331922390 1330891684 /nfs/dbraw/zinc/89/16/84/1330891684.db2.gz IZPLFSUAGJQWRY-NSHDSACASA-N 1 0 341.770 2.698 20 5 EFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1[NH+](C)C ZINC001332251671 1330947783 /nfs/dbraw/zinc/94/77/83/1330947783.db2.gz RSSOALFQJJKVQG-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC001332420896 1330969713 /nfs/dbraw/zinc/96/97/13/1330969713.db2.gz MGAIJBXFHKHQSR-MRXNPFEDSA-N 1 0 336.367 2.684 20 5 EFBDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001333442298 1331144991 /nfs/dbraw/zinc/14/49/91/1331144991.db2.gz PNZFKDKWAFWFCQ-BBRMVZONSA-N 1 0 332.404 2.536 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001333679673 1331193063 /nfs/dbraw/zinc/19/30/63/1331193063.db2.gz IMMVKBNXMUXSEM-PXAZEXFGSA-N 1 0 346.387 2.956 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001333770097 1331211214 /nfs/dbraw/zinc/21/12/14/1331211214.db2.gz GYJGXTTYNOUFEO-LTIDMASMSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001333770099 1331211312 /nfs/dbraw/zinc/21/13/12/1331211312.db2.gz GYJGXTTYNOUFEO-LUKYLMHMSA-N 1 0 331.416 2.687 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001333873799 1331231920 /nfs/dbraw/zinc/23/19/20/1331231920.db2.gz NYONFTOWYNYKIS-TVQRCGJNSA-N 1 0 329.194 2.560 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239305 1331269646 /nfs/dbraw/zinc/26/96/46/1331269646.db2.gz JEWZNRHKLMCBML-JKSUJKDBSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001334937770 1331332099 /nfs/dbraw/zinc/33/20/99/1331332099.db2.gz XGVISGMHHYKIHN-ZDUSSCGKSA-N 1 0 329.404 2.966 20 5 EFBDRO C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001335230389 1331335868 /nfs/dbraw/zinc/33/58/68/1331335868.db2.gz PXEJRIIRESIGJY-CYBMUJFWSA-N 1 0 334.420 2.782 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC001335442927 1331348026 /nfs/dbraw/zinc/34/80/26/1331348026.db2.gz BRQFKHUCXNGXMV-GVDBMIGSSA-N 1 0 342.395 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCSc2ccccn2)cc1 ZINC001335500045 1331361671 /nfs/dbraw/zinc/36/16/71/1331361671.db2.gz ZNUGDLCJIKEIKO-HNNXBMFYSA-N 1 0 333.413 2.795 20 5 EFBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001335780563 1331401876 /nfs/dbraw/zinc/40/18/76/1331401876.db2.gz KUBKNKPMEGHEBC-UWVGGRQHSA-N 1 0 329.194 2.872 20 5 EFBDRO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001335780565 1331401905 /nfs/dbraw/zinc/40/19/05/1331401905.db2.gz KUBKNKPMEGHEBC-ZJUUUORDSA-N 1 0 329.194 2.872 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001335874925 1331412943 /nfs/dbraw/zinc/41/29/43/1331412943.db2.gz ZEAFHVQKXRIICQ-SNVBAGLBSA-N 1 0 335.795 2.899 20 5 EFBDRO Cc1cccc2nc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)n(C)c21 ZINC001336002207 1331426215 /nfs/dbraw/zinc/42/62/15/1331426215.db2.gz KZCGPEILCBXCGM-INIZCTEOSA-N 1 0 340.383 2.613 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721458 1331496369 /nfs/dbraw/zinc/49/63/69/1331496369.db2.gz HSJLKAQTNGIPJV-SJKOYZFVSA-N 1 0 340.383 2.866 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001336754110 1331499891 /nfs/dbraw/zinc/49/98/91/1331499891.db2.gz APKZYWDKWHGPNA-MRXNPFEDSA-N 1 0 337.326 2.608 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1=CCOCC1 ZINC001336847748 1331508222 /nfs/dbraw/zinc/50/82/22/1331508222.db2.gz GRLITMNSMAAZNA-UHFFFAOYSA-N 1 0 347.415 2.886 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001336874780 1331511744 /nfs/dbraw/zinc/51/17/44/1331511744.db2.gz WLORZUAQXZPXHN-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO CC/C=C(/C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001337581090 1331586127 /nfs/dbraw/zinc/58/61/27/1331586127.db2.gz WBUXKQPWKLAODM-ACAGNQJTSA-N 1 0 332.404 2.641 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC001337680949 1331591909 /nfs/dbraw/zinc/59/19/09/1331591909.db2.gz YHEDTJNWPAUYGF-CYBMUJFWSA-N 1 0 346.318 2.814 20 5 EFBDRO CC(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])=C1CCC1 ZINC001337703853 1331593612 /nfs/dbraw/zinc/59/36/12/1331593612.db2.gz MVUGVMBPCJIMKP-UHFFFAOYSA-N 1 0 344.415 2.786 20 5 EFBDRO CC(C)[N@H+](CCO)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001337969301 1331625100 /nfs/dbraw/zinc/62/51/00/1331625100.db2.gz DPAAPZGFIMKCLX-UHFFFAOYSA-N 1 0 339.411 2.653 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001339608437 1331911187 /nfs/dbraw/zinc/91/11/87/1331911187.db2.gz BEXKIHNNONVDMX-BLLLJJGKSA-N 1 0 346.431 2.628 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001340162274 1332146980 /nfs/dbraw/zinc/14/69/80/1332146980.db2.gz DUVNAEXIHBSUJH-ZDUSSCGKSA-N 1 0 349.456 2.778 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001340801277 1332206648 /nfs/dbraw/zinc/20/66/48/1332206648.db2.gz MSILIARIKNQLGB-HUUCEWRRSA-N 1 0 337.445 2.774 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001341305331 1332250091 /nfs/dbraw/zinc/25/00/91/1332250091.db2.gz CWWKVCNGNZNQRE-FZMZJTMJSA-N 1 0 337.445 2.906 20 5 EFBDRO COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC001341393999 1332256810 /nfs/dbraw/zinc/25/68/10/1332256810.db2.gz VRFUPQROHNYOGM-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001341439601 1332259803 /nfs/dbraw/zinc/25/98/03/1332259803.db2.gz ZTGJHXJNLDEBRG-GFCCVEGCSA-N 1 0 337.445 2.969 20 5 EFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001341557630 1332268039 /nfs/dbraw/zinc/26/80/39/1332268039.db2.gz AHSJUADIDQYLNO-NSHDSACASA-N 1 0 345.321 2.876 20 5 EFBDRO C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341684266 1332276587 /nfs/dbraw/zinc/27/65/87/1332276587.db2.gz OUJJJSGYBHWMNV-CYBMUJFWSA-N 1 0 341.367 2.671 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001341688802 1332277307 /nfs/dbraw/zinc/27/73/07/1332277307.db2.gz MCYGXCQALHBWPK-QWHCGFSZSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001341738709 1332281019 /nfs/dbraw/zinc/28/10/19/1332281019.db2.gz BZVQYISICDTLCW-CYBMUJFWSA-N 1 0 339.395 2.774 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001342709318 1332335682 /nfs/dbraw/zinc/33/56/82/1332335682.db2.gz YHVCMJDTLPHXTP-AWEZNQCLSA-N 1 0 336.436 2.857 20 5 EFBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001343715896 1332372744 /nfs/dbraw/zinc/37/27/44/1332372744.db2.gz XFZYAUCJLWXVOJ-CQSZACIVSA-N 1 0 331.416 2.522 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001344485144 1332457674 /nfs/dbraw/zinc/45/76/74/1332457674.db2.gz YAWYMLLFQJHXAT-UHFFFAOYSA-N 1 0 344.415 2.637 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001344876300 1332490725 /nfs/dbraw/zinc/49/07/25/1332490725.db2.gz SVKUVKICDPCEDO-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1c(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001345106568 1332509832 /nfs/dbraw/zinc/50/98/32/1332509832.db2.gz RJWZPXRPNMINBM-UHFFFAOYSA-N 1 0 341.323 2.787 20 5 EFBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001345112403 1332510044 /nfs/dbraw/zinc/51/00/44/1332510044.db2.gz TWUQNVGIZDMDMA-QMMMGPOBSA-N 1 0 334.298 2.733 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1 ZINC001345156740 1332513749 /nfs/dbraw/zinc/51/37/49/1332513749.db2.gz YDPJQIPEKAMTSC-SNVBAGLBSA-N 1 0 349.774 2.734 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001345955271 1332587997 /nfs/dbraw/zinc/58/79/97/1332587997.db2.gz DBHVFBNNSKZYNA-UHFFFAOYSA-N 1 0 333.432 2.959 20 5 EFBDRO COc1cc(C(=O)OC[C@@H]2CCC[N@@H+]2CC2CC2)ccc1[N+](=O)[O-] ZINC001345998949 1332591012 /nfs/dbraw/zinc/59/10/12/1332591012.db2.gz CFYNBTDIHCOOEI-AWEZNQCLSA-N 1 0 334.372 2.635 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346218742 1332612616 /nfs/dbraw/zinc/61/26/16/1332612616.db2.gz CBGVWYVOFYVFKL-ZDUSSCGKSA-N 1 0 334.420 2.740 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001346275161 1332620719 /nfs/dbraw/zinc/62/07/19/1332620719.db2.gz UMPOIWZRWBTPCF-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346451511 1332642242 /nfs/dbraw/zinc/64/22/42/1332642242.db2.gz DFYSHSIXCZFNNK-SJORKVTESA-N 1 0 344.415 2.637 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001346507082 1332650485 /nfs/dbraw/zinc/65/04/85/1332650485.db2.gz ZNHHCEOHWWYWOJ-QGZVFWFLSA-N 1 0 349.456 2.822 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c1 ZINC001347181695 1332722587 /nfs/dbraw/zinc/72/25/87/1332722587.db2.gz KUZWCXAHGCYYEO-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO C[N@H+]1CC=C(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001347231640 1332726084 /nfs/dbraw/zinc/72/60/84/1332726084.db2.gz RJCKTAVRVLMRQQ-UHFFFAOYSA-N 1 0 333.779 2.865 20 5 EFBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCc4c3cccc4[N+](=O)[O-])C[N@@H+]2C1 ZINC001347733840 1332769453 /nfs/dbraw/zinc/76/94/53/1332769453.db2.gz JIIPKBCWPZRWOK-MCIONIFRSA-N 1 0 329.400 2.604 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001347770783 1332772629 /nfs/dbraw/zinc/77/26/29/1332772629.db2.gz CXGORODBZHHOJM-ZDUSSCGKSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001348222884 1332813631 /nfs/dbraw/zinc/81/36/31/1332813631.db2.gz IKYTWCWGWRJHOT-OUCADQQQSA-N 1 0 333.388 2.662 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349872558 1333008107 /nfs/dbraw/zinc/00/81/07/1333008107.db2.gz BEKMHSXHKDLIAG-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+]1CCOCC1 ZINC001349978709 1333021491 /nfs/dbraw/zinc/02/14/91/1333021491.db2.gz BYNRLOYOPBWTGV-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC001350487172 1333088359 /nfs/dbraw/zinc/08/83/59/1333088359.db2.gz MLDOFWJFFKRSBF-AOOOYVTPSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001351387512 1333223000 /nfs/dbraw/zinc/22/30/00/1333223000.db2.gz IMXUFBGJIBCSRH-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001351387513 1333223230 /nfs/dbraw/zinc/22/32/30/1333223230.db2.gz IMXUFBGJIBCSRH-XYPHTWIQSA-N 1 0 331.416 2.546 20 5 EFBDRO CCOC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000847085492 1333316509 /nfs/dbraw/zinc/31/65/09/1333316509.db2.gz OJUIJHJNQSAECB-UHFFFAOYSA-N 1 0 339.348 2.667 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001351940758 1333328658 /nfs/dbraw/zinc/32/86/58/1333328658.db2.gz YXLLVKOOTHTISM-ZWKOTPCHSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000847253404 1333448312 /nfs/dbraw/zinc/44/83/12/1333448312.db2.gz DESIUWQQWXLIHP-DZGCQCFKSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC000847253551 1333448337 /nfs/dbraw/zinc/44/83/37/1333448337.db2.gz HJCBEMUXSRDOSH-GJZGRUSLSA-N 1 0 337.807 2.995 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000847254951 1333448922 /nfs/dbraw/zinc/44/89/22/1333448922.db2.gz HZTWLDQYMGIMHV-HUUCEWRRSA-N 1 0 335.379 2.789 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000847254935 1333449301 /nfs/dbraw/zinc/44/93/01/1333449301.db2.gz HXUKAIDLRVLMMB-UONOGXRCSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000847256726 1333451736 /nfs/dbraw/zinc/45/17/36/1333451736.db2.gz RJBWLVOCENORSP-DZGCQCFKSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000847376977 1333623018 /nfs/dbraw/zinc/62/30/18/1333623018.db2.gz AUCXPPZNZGQNRO-IAOVAPTHSA-N 1 0 346.431 2.972 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001352949636 1333825471 /nfs/dbraw/zinc/82/54/71/1333825471.db2.gz LOXBWBIDWSSFCO-UHFFFAOYSA-N 1 0 341.371 2.599 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001353272455 1334058190 /nfs/dbraw/zinc/05/81/90/1334058190.db2.gz IYHBSJKKOFXCBU-INIZCTEOSA-N 1 0 337.326 2.608 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001353272456 1334058622 /nfs/dbraw/zinc/05/86/22/1334058622.db2.gz IYHBSJKKOFXCBU-MRXNPFEDSA-N 1 0 337.326 2.608 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC=CC1 ZINC001002504239 1334304916 /nfs/dbraw/zinc/30/49/16/1334304916.db2.gz KNOALHCRNMJHML-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001354485467 1334326318 /nfs/dbraw/zinc/32/63/18/1334326318.db2.gz QRDKONQZRUJCIE-ZDUSSCGKSA-N 1 0 329.194 2.872 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC001354496248 1334333155 /nfs/dbraw/zinc/33/31/55/1334333155.db2.gz VOYYLHVCBIJRSV-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC001355081527 1334695368 /nfs/dbraw/zinc/69/53/68/1334695368.db2.gz QOWPPDGOQMQZJZ-ZDUSSCGKSA-N 1 0 346.431 2.721 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000848474537 1334735494 /nfs/dbraw/zinc/73/54/94/1334735494.db2.gz FZNUSYRDCPRVNB-CQSZACIVSA-N 1 0 342.399 2.917 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000848482913 1334739339 /nfs/dbraw/zinc/73/93/39/1334739339.db2.gz VAJAYYHOOMYPSX-GJZGRUSLSA-N 1 0 342.399 2.774 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848488994 1334745382 /nfs/dbraw/zinc/74/53/82/1334745382.db2.gz PHGVKLDCLBMCLF-CXAGYDPISA-N 1 0 330.388 2.773 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848527781 1334776349 /nfs/dbraw/zinc/77/63/49/1334776349.db2.gz FBNQTDKEXYUFAS-WMZOPIPTSA-N 1 0 328.368 2.914 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000848537106 1334782177 /nfs/dbraw/zinc/78/21/77/1334782177.db2.gz ZRRCGRRGTDPNMP-FNHZYXHNSA-N 1 0 342.395 2.656 20 5 EFBDRO Cc1c(Cc2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)cccc1[N+](=O)[O-] ZINC000848623038 1334815501 /nfs/dbraw/zinc/81/55/01/1334815501.db2.gz DUEAHHFLAPIAMH-CXAGYDPISA-N 1 0 328.372 2.734 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356498370 1335044502 /nfs/dbraw/zinc/04/45/02/1335044502.db2.gz DJYPTRNEODTPAZ-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)cc1 ZINC001356545233 1335051431 /nfs/dbraw/zinc/05/14/31/1335051431.db2.gz QWHUCYVYOIGENB-SFHVURJKSA-N 1 0 330.384 2.652 20 5 EFBDRO Cc1ccc(CNC(=[NH2+])NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000849054918 1335059825 /nfs/dbraw/zinc/05/98/25/1335059825.db2.gz YUCPPIMBLSLIFL-UHFFFAOYSA-N 1 0 327.388 2.629 20 5 EFBDRO COc1ccc(CCNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000849092808 1335074473 /nfs/dbraw/zinc/07/44/73/1335074473.db2.gz HPSHJNHYHPLARL-UHFFFAOYSA-N 1 0 342.399 2.768 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001357321710 1335300242 /nfs/dbraw/zinc/30/02/42/1335300242.db2.gz IEQKUKUOOOKGPB-HIFRSBDPSA-N 1 0 331.416 2.860 20 5 EFBDRO [NH3+]CC1([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001358404309 1335376611 /nfs/dbraw/zinc/37/66/11/1335376611.db2.gz LYIDZDLCEDFEOL-MRXNPFEDSA-N 1 0 331.416 2.647 20 5 EFBDRO Cc1ccc(CNC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000849100251 1335551883 /nfs/dbraw/zinc/55/18/83/1335551883.db2.gz INQFLDYJXAAEIW-UHFFFAOYSA-N 1 0 328.372 2.596 20 5 EFBDRO CCOCCCNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109466 1335553405 /nfs/dbraw/zinc/55/34/05/1335553405.db2.gz SQHUVZVXLVIRRS-UHFFFAOYSA-N 1 0 348.325 2.654 20 5 EFBDRO [NH2+]=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCC1 ZINC000849110505 1335553407 /nfs/dbraw/zinc/55/34/07/1335553407.db2.gz GTZJEVZTJBCILT-UHFFFAOYSA-N 1 0 345.325 2.692 20 5 EFBDRO Nc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000849350842 1335596718 /nfs/dbraw/zinc/59/67/18/1335596718.db2.gz YPQLPZHILVGDRS-UHFFFAOYSA-N 1 0 326.400 2.936 20 5 EFBDRO CCCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000211396999 1417294231 /nfs/dbraw/zinc/29/42/31/1417294231.db2.gz GWQGTQLVGMYNQA-SNVBAGLBSA-N 1 0 330.182 2.813 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)[nH]1 ZINC001020559303 713181363 /nfs/dbraw/zinc/18/13/63/713181363.db2.gz BPIFCMSUOFTWOK-HAQNSBGRSA-N 1 0 348.790 2.627 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001020971804 713462136 /nfs/dbraw/zinc/46/21/36/713462136.db2.gz FPWDCIUXWGUBGK-QAQDUYKDSA-N 1 0 339.395 2.954 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000804777805 713466817 /nfs/dbraw/zinc/46/68/17/713466817.db2.gz GEACRJDGWNEBOE-AWEZNQCLSA-N 1 0 341.358 2.677 20 5 EFBDRO CSCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000932590844 713476222 /nfs/dbraw/zinc/47/62/22/713476222.db2.gz RSCDALJBQQFXPV-UHFFFAOYSA-N 1 0 337.445 2.998 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)s1 ZINC001021123563 713587186 /nfs/dbraw/zinc/58/71/86/713587186.db2.gz NTYWOIGDJKYSBA-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234249651 714309914 /nfs/dbraw/zinc/30/99/14/714309914.db2.gz KVDXOASXEBEYBR-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000160662739 714398369 /nfs/dbraw/zinc/39/83/69/714398369.db2.gz NNSKWGUNPZAYQT-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO O=C(OCC[C@@H]1CCCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177908787 714461258 /nfs/dbraw/zinc/46/12/58/714461258.db2.gz JOWHHDONAVOEIA-ZDUSSCGKSA-N 1 0 331.328 2.506 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccc(F)c1 ZINC001021790930 714479436 /nfs/dbraw/zinc/47/94/36/714479436.db2.gz UKOPCRVHDRSBQM-IYBDPMFKSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021798058 714487597 /nfs/dbraw/zinc/48/75/97/714487597.db2.gz ODVFFALUVBMEDE-GASCZTMLSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021798534 714488400 /nfs/dbraw/zinc/48/84/00/714488400.db2.gz WEUVLKNWQBMIEL-GASCZTMLSA-N 1 0 345.424 2.636 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021814891 714513480 /nfs/dbraw/zinc/51/34/80/714513480.db2.gz BHYCSNAVGMZFHU-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001021982108 714628216 /nfs/dbraw/zinc/62/82/16/714628216.db2.gz QNBDWGVPGVUDOB-BETUJISGSA-N 1 0 349.412 2.537 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022040200 714682887 /nfs/dbraw/zinc/68/28/87/714682887.db2.gz RFSYIPPNBSUSHS-OKILXGFUSA-N 1 0 342.399 2.536 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1sccc1F ZINC001022042456 714691236 /nfs/dbraw/zinc/69/12/36/714691236.db2.gz DNXSSYDBYXIQOE-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1sccc1F ZINC001022042539 714691392 /nfs/dbraw/zinc/69/13/92/714691392.db2.gz HOPRJJATWAOICW-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO COCCN(Cc1ccccc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891470225 714772779 /nfs/dbraw/zinc/77/27/79/714772779.db2.gz OESZUBBGDDIHCJ-UHFFFAOYSA-N 1 0 346.383 2.958 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891571504 714827549 /nfs/dbraw/zinc/82/75/49/714827549.db2.gz VPUVXZAPJBBVID-UHFFFAOYSA-N 1 0 344.415 2.731 20 5 EFBDRO CCCN(c1ncc([N+](=O)[O-])c(C)c1Br)[C@H]1CC[NH2+]C1 ZINC000165820464 714828281 /nfs/dbraw/zinc/82/82/81/714828281.db2.gz GBPWMKYTJFRJBU-JTQLQIEISA-N 1 0 343.225 2.639 20 5 EFBDRO Cc1noc(C[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933577404 714904968 /nfs/dbraw/zinc/90/49/68/714904968.db2.gz WWHFTCKRWRTBTA-HNNXBMFYSA-N 1 0 330.388 2.783 20 5 EFBDRO Cc1noc(C[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933577409 714905788 /nfs/dbraw/zinc/90/57/88/714905788.db2.gz WWHFTCKRWRTBTA-OAHLLOKOSA-N 1 0 330.388 2.783 20 5 EFBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891677971 714925649 /nfs/dbraw/zinc/92/56/49/714925649.db2.gz PDRWOTIZAXSCOF-UHFFFAOYSA-N 1 0 326.393 2.946 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC001022293148 714975993 /nfs/dbraw/zinc/97/59/93/714975993.db2.gz GIGGACDVCMMVSI-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC001022294252 714979226 /nfs/dbraw/zinc/97/92/26/714979226.db2.gz YYZCZXYCZCOTJY-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO COc1c(O)ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000891749443 714994820 /nfs/dbraw/zinc/99/48/20/714994820.db2.gz YMTTYJRWAIZZIH-HNNXBMFYSA-N 1 0 349.431 2.759 20 5 EFBDRO CCC[C@@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043817 715180586 /nfs/dbraw/zinc/18/05/86/715180586.db2.gz OPOVCKCXSZDXLI-CYBMUJFWSA-N 1 0 349.435 2.657 20 5 EFBDRO CCCCN(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934047098 715180973 /nfs/dbraw/zinc/18/09/73/715180973.db2.gz FHGRFAZRRKDGSA-UHFFFAOYSA-N 1 0 349.435 2.610 20 5 EFBDRO COC(=O)C[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000934033643 715181795 /nfs/dbraw/zinc/18/17/95/715181795.db2.gz NIVPWNRUVGJFPH-CQSZACIVSA-N 1 0 342.367 2.810 20 5 EFBDRO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176204147 715193245 /nfs/dbraw/zinc/19/32/45/715193245.db2.gz QRHQYTGHTHLHHK-GASCZTMLSA-N 1 0 327.388 2.933 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022552156 715209128 /nfs/dbraw/zinc/20/91/28/715209128.db2.gz ZSVQKOYDFOPDSX-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CCC2)C1 ZINC001022568027 715218341 /nfs/dbraw/zinc/21/83/41/715218341.db2.gz IIVBXAROZWPJDB-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001022568073 715219060 /nfs/dbraw/zinc/21/90/60/715219060.db2.gz JZHZABCVSICMPR-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892080626 715245006 /nfs/dbraw/zinc/24/50/06/715245006.db2.gz KJTYVGXASIIYHE-ZDUSSCGKSA-N 1 0 344.415 2.589 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934237075 715274179 /nfs/dbraw/zinc/27/41/79/715274179.db2.gz VBIIPUXODPRWGO-QWHCGFSZSA-N 1 0 328.372 2.538 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934237147 715274240 /nfs/dbraw/zinc/27/42/40/715274240.db2.gz UJRQBCPQDVLHBS-OCCSQVGLSA-N 1 0 342.399 2.846 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)[nH]1 ZINC001022669929 715282907 /nfs/dbraw/zinc/28/29/07/715282907.db2.gz DPOBQLOORTWJDB-TXEJJXNPSA-N 1 0 348.790 2.627 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000727708859 724389826 /nfs/dbraw/zinc/38/98/26/724389826.db2.gz MZVJCRRQTJNKQL-GHMZBOCLSA-N 1 0 341.358 2.866 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000934398097 715449744 /nfs/dbraw/zinc/44/97/44/715449744.db2.gz RLSNIFNJNLDWMQ-MNOVXSKESA-N 1 0 335.429 2.672 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000934574376 715685566 /nfs/dbraw/zinc/68/55/66/715685566.db2.gz GIHRQOHATVUPAF-IINYFYTJSA-N 1 0 335.429 2.529 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892282662 715724817 /nfs/dbraw/zinc/72/48/17/715724817.db2.gz ATPMLYUENMBRNV-LBPRGKRZSA-N 1 0 332.404 2.589 20 5 EFBDRO COc1c(O)ccc(CNCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000893533931 716815543 /nfs/dbraw/zinc/81/55/43/716815543.db2.gz DMFFBAJZGMVDSF-ZDUSSCGKSA-N 1 0 337.420 2.663 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000162872726 716917050 /nfs/dbraw/zinc/91/70/50/716917050.db2.gz LFJJCBZGJYIRCQ-AWEZNQCLSA-N 1 0 348.447 2.832 20 5 EFBDRO C[NH+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895469933 724150545 /nfs/dbraw/zinc/15/05/45/724150545.db2.gz PRSNOZIRPSONIW-UHFFFAOYSA-N 1 0 338.166 2.722 20 5 EFBDRO CCC(CC)[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893602437 718130527 /nfs/dbraw/zinc/13/05/27/718130527.db2.gz NMDMNNMNCGFAKI-UHFFFAOYSA-N 1 0 342.827 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000892521819 718204677 /nfs/dbraw/zinc/20/46/77/718204677.db2.gz GUXSGRXYZOLXLY-AWEZNQCLSA-N 1 0 336.775 2.778 20 5 EFBDRO O=[N+]([O-])c1cccc(CN(CCO)C2CCC2)c1Br ZINC000236518172 718267897 /nfs/dbraw/zinc/26/78/97/718267897.db2.gz YHZCCGBWSRBLPM-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO COC(=O)N1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000178171324 718274617 /nfs/dbraw/zinc/27/46/17/718274617.db2.gz SBWOVWMVOSSAHF-UHFFFAOYSA-N 1 0 347.396 2.864 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892571006 718297460 /nfs/dbraw/zinc/29/74/60/718297460.db2.gz UGKSZBOCMZPDBN-QWHCGFSZSA-N 1 0 337.420 2.662 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935798019 718345425 /nfs/dbraw/zinc/34/54/25/718345425.db2.gz OAPQESAZOQMYFG-IRXDYDNUSA-N 1 0 331.416 2.643 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892618580 718347835 /nfs/dbraw/zinc/34/78/35/718347835.db2.gz LRWIEZFZUCRQLM-LBPRGKRZSA-N 1 0 331.376 2.586 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000892622128 718350310 /nfs/dbraw/zinc/35/03/10/718350310.db2.gz OUOLEUFQTNEEGM-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000892703641 718840121 /nfs/dbraw/zinc/84/01/21/718840121.db2.gz MDRLBVBYILKQJL-HNNXBMFYSA-N 1 0 342.399 2.709 20 5 EFBDRO CC1(C(=O)N2CC3(C2)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C3)CC1 ZINC000981786443 719034445 /nfs/dbraw/zinc/03/44/45/719034445.db2.gz JKFMLMLSPJSDHY-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CC1(C(=O)N2CC3(C2)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C3)CC1 ZINC000981788420 719037527 /nfs/dbraw/zinc/03/75/27/719037527.db2.gz VIMWEUHSLBXIPX-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000892738766 719096992 /nfs/dbraw/zinc/09/69/92/719096992.db2.gz DHKDAQLGEPCEHA-ZDUSSCGKSA-N 1 0 337.420 2.519 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000893669136 719201555 /nfs/dbraw/zinc/20/15/55/719201555.db2.gz VCNQGIKOVHMNJG-UHFFFAOYSA-N 1 0 334.376 2.815 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164643542 719234050 /nfs/dbraw/zinc/23/40/50/719234050.db2.gz ZEBMVSRSDNQFDK-QWHCGFSZSA-N 1 0 327.388 2.581 20 5 EFBDRO CC(C)C[NH+]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164651798 719329737 /nfs/dbraw/zinc/32/97/37/719329737.db2.gz HRUWWMWVHJBJDC-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001969 719429458 /nfs/dbraw/zinc/42/94/58/719429458.db2.gz RCDITIHPVCCVSS-OLZOCXBDSA-N 1 0 346.836 2.694 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000909615775 724606448 /nfs/dbraw/zinc/60/64/48/724606448.db2.gz ZKZBVYZPQKPDAD-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000178567810 719743670 /nfs/dbraw/zinc/74/36/70/719743670.db2.gz MENZKXFSWXIZTN-ZDUSSCGKSA-N 1 0 340.383 2.759 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000232772321 726051159 /nfs/dbraw/zinc/05/11/59/726051159.db2.gz FOXKPPURKWKHSZ-QWRGUYRKSA-N 1 0 329.194 2.606 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C2(C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000893219796 720097501 /nfs/dbraw/zinc/09/75/01/720097501.db2.gz IZLNRHSORXHZMZ-UHFFFAOYSA-N 1 0 328.368 2.956 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000893902870 720147604 /nfs/dbraw/zinc/14/76/04/720147604.db2.gz ZHSXULZXFVHBPS-OAHLLOKOSA-N 1 0 336.388 2.700 20 5 EFBDRO CCNC(=O)C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000894008411 720210060 /nfs/dbraw/zinc/21/00/60/720210060.db2.gz ZHTBOBQKBLZGNF-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO COCCOC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894082491 720263842 /nfs/dbraw/zinc/26/38/42/720263842.db2.gz ZGAPGTDEFRTWJE-JTQLQIEISA-N 1 0 336.310 2.755 20 5 EFBDRO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725544 720332613 /nfs/dbraw/zinc/33/26/13/720332613.db2.gz NLVGVVHBHPNRRU-IRXDYDNUSA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725542 720333422 /nfs/dbraw/zinc/33/34/22/720333422.db2.gz NLVGVVHBHPNRRU-DLBZAZTESA-N 1 0 339.399 2.546 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893264013 720342649 /nfs/dbraw/zinc/34/26/49/720342649.db2.gz ASYAPSQWLOISHW-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO CNS(=O)(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000190315493 720650475 /nfs/dbraw/zinc/65/04/75/720650475.db2.gz UDBVMGNNGPHFCZ-UHFFFAOYSA-N 1 0 328.437 2.632 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000894120234 720652736 /nfs/dbraw/zinc/65/27/36/720652736.db2.gz OVELJLYZHLRIJW-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841104318 720658610 /nfs/dbraw/zinc/65/86/10/720658610.db2.gz XVRFHJIFCZHNCQ-JTQLQIEISA-N 1 0 326.784 2.841 20 5 EFBDRO CCN(Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000123106674 720708776 /nfs/dbraw/zinc/70/87/76/720708776.db2.gz DKEGLTXVHDGITH-UHFFFAOYSA-N 1 0 327.340 2.982 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165027993 721854420 /nfs/dbraw/zinc/85/44/20/721854420.db2.gz GNEMPEXGVBSIFK-UHFFFAOYSA-N 1 0 346.218 2.756 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001165037654 721889165 /nfs/dbraw/zinc/88/91/65/721889165.db2.gz ZMNJBWKMKKDTLC-VIFPVBQESA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)CC1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001165041547 721944517 /nfs/dbraw/zinc/94/45/17/721944517.db2.gz CKUVRFBPKWPIRJ-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO COc1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165046301 721969409 /nfs/dbraw/zinc/96/94/09/721969409.db2.gz DBTYARAWKWHBPB-CQSZACIVSA-N 1 0 334.420 2.843 20 5 EFBDRO CC[NH+](CC)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165053629 722007097 /nfs/dbraw/zinc/00/70/97/722007097.db2.gz BIMSOUASSBQXAG-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3c([N+](=O)[O-])cnn3C)C2)s1 ZINC000894371241 722640112 /nfs/dbraw/zinc/64/01/12/722640112.db2.gz AZVPDLXMBDVLJL-ZDUSSCGKSA-N 1 0 349.460 2.657 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=CCCC1 ZINC000983461025 722647604 /nfs/dbraw/zinc/64/76/04/722647604.db2.gz GFRCNTUPEZYQDI-KOMQPUFPSA-N 1 0 329.400 2.690 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000983546673 722708314 /nfs/dbraw/zinc/70/83/14/722708314.db2.gz FMYBPQDEYSBXIY-KOMQPUFPSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000983546841 722708447 /nfs/dbraw/zinc/70/84/47/722708447.db2.gz IKVGVUISWXRMQT-KOMQPUFPSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1nn(C(C)C)c(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000894454167 722740329 /nfs/dbraw/zinc/74/03/29/722740329.db2.gz PJSLLZLSQYRVQO-UHFFFAOYSA-N 1 0 331.420 2.954 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000917581861 728762756 /nfs/dbraw/zinc/76/27/56/728762756.db2.gz WGSMKPJSXLVQMQ-IUODEOHRSA-N 1 0 336.461 2.604 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3NCCC4)CC2)n1 ZINC000894579469 722787251 /nfs/dbraw/zinc/78/72/51/722787251.db2.gz LZAULQYOYRBCLU-UHFFFAOYSA-N 1 0 341.415 2.987 20 5 EFBDRO COc1c(O)ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000894745013 722832978 /nfs/dbraw/zinc/83/29/78/722832978.db2.gz IFISCELGJBDBIT-LBPRGKRZSA-N 1 0 326.393 2.538 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCO3)o2)c(Cl)c1 ZINC000894872456 722930083 /nfs/dbraw/zinc/93/00/83/722930083.db2.gz JFICVOPHRJIIRI-LBPRGKRZSA-N 1 0 338.747 2.971 20 5 EFBDRO CC(C)(CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000894905752 723023286 /nfs/dbraw/zinc/02/32/86/723023286.db2.gz JDINZLCWCLPEKZ-UHFFFAOYSA-N 1 0 334.825 2.551 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000894955564 723034586 /nfs/dbraw/zinc/03/45/86/723034586.db2.gz RIYJXBXMJVKUER-UHFFFAOYSA-N 1 0 342.823 2.906 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841233500 723067047 /nfs/dbraw/zinc/06/70/47/723067047.db2.gz WDSTVAALTSHNLL-VHSXEESVSA-N 1 0 326.784 2.839 20 5 EFBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000895962658 723068461 /nfs/dbraw/zinc/06/84/61/723068461.db2.gz GLQBAHJVOGJEPH-LBPRGKRZSA-N 1 0 325.328 2.880 20 5 EFBDRO O=C(N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001029467140 723142013 /nfs/dbraw/zinc/14/20/13/723142013.db2.gz AJKOHUYWBPPORW-IYBDPMFKSA-N 1 0 347.390 2.520 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000917840223 728794104 /nfs/dbraw/zinc/79/41/04/728794104.db2.gz QPQLMJHMHCTKKY-GFCCVEGCSA-N 1 0 331.372 2.945 20 5 EFBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000896221315 723199391 /nfs/dbraw/zinc/19/93/91/723199391.db2.gz DLRBWPFDIJOSKM-VIFPVBQESA-N 1 0 331.357 2.941 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@H](C)[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000262139528 723374795 /nfs/dbraw/zinc/37/47/95/723374795.db2.gz YYGQPZCJUNRSKH-XHDPSFHLSA-N 1 0 331.372 2.642 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000896651758 723423983 /nfs/dbraw/zinc/42/39/83/723423983.db2.gz XZHGVWVSOTWUOP-CQSZACIVSA-N 1 0 329.404 2.705 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCC1 ZINC000984124678 723469523 /nfs/dbraw/zinc/46/95/23/723469523.db2.gz QTDABXOCGGPPRL-SHTZXODSSA-N 1 0 349.406 2.862 20 5 EFBDRO CC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000985063589 723810878 /nfs/dbraw/zinc/81/08/78/723810878.db2.gz UQXKGOKVCAIOFD-UMSPYCQHSA-N 1 0 325.434 2.687 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC(CSC)CC2)c1[N+](=O)[O-] ZINC000896940599 723903046 /nfs/dbraw/zinc/90/30/46/723903046.db2.gz HNDVONIORUIFHH-UHFFFAOYSA-N 1 0 326.418 2.884 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C2CCC2)CC1 ZINC000985199484 723967550 /nfs/dbraw/zinc/96/75/50/723967550.db2.gz XDFOGYMTQKZQGG-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985200195 723968681 /nfs/dbraw/zinc/96/86/81/723968681.db2.gz JOZLGXFIZQCLCQ-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985200076 723968796 /nfs/dbraw/zinc/96/87/96/723968796.db2.gz ITBMNHIAAPGDIJ-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccco2)CC1 ZINC000985216523 724001534 /nfs/dbraw/zinc/00/15/34/724001534.db2.gz CRVYFZVISVYHPT-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@H]1C1CC1 ZINC000728560996 724095634 /nfs/dbraw/zinc/09/56/34/724095634.db2.gz XBKLLOIKHKOCAK-KRWDZBQOSA-N 1 0 340.383 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895435011 724129693 /nfs/dbraw/zinc/12/96/93/724129693.db2.gz DSQOMBJIPFRAPF-HNNXBMFYSA-N 1 0 339.823 2.591 20 5 EFBDRO Cc1cn(C[N@@H+](CC2CC2)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728708233 724142763 /nfs/dbraw/zinc/14/27/63/724142763.db2.gz YKADPURBXGACBS-UHFFFAOYSA-N 1 0 344.415 2.934 20 5 EFBDRO Cc1cn(CN2CCC[C@H]2C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728711868 724143430 /nfs/dbraw/zinc/14/34/30/724143430.db2.gz ZGRIQYOLDDFGAR-HNNXBMFYSA-N 1 0 342.399 2.688 20 5 EFBDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711116 724270413 /nfs/dbraw/zinc/27/04/13/724270413.db2.gz YPTMPRDUHPANFY-GWJCSSMESA-N 1 0 334.294 2.528 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895748320 724293605 /nfs/dbraw/zinc/29/36/05/724293605.db2.gz LQCRBDFDQLLIFQ-OLZOCXBDSA-N 1 0 348.321 2.633 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)cs2)c1 ZINC000895784345 724312237 /nfs/dbraw/zinc/31/22/37/724312237.db2.gz FNRCNUYNKCUFBI-UHOFOFEASA-N 1 0 345.424 2.921 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000918571502 728893662 /nfs/dbraw/zinc/89/36/62/728893662.db2.gz BTKZXODBJMOXES-KGLIPLIRSA-N 1 0 348.447 2.654 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000895796532 724321911 /nfs/dbraw/zinc/32/19/11/724321911.db2.gz KZSKCEPBMIHWBX-OAHLLOKOSA-N 1 0 331.416 2.912 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925238286 725028316 /nfs/dbraw/zinc/02/83/16/725028316.db2.gz QIZKYUYCBCJFQU-CJNGLKHVSA-N 1 0 334.420 2.637 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154826573 728931850 /nfs/dbraw/zinc/93/18/50/728931850.db2.gz LOVBTMOFAYIUSX-WFASDCNBSA-N 1 0 335.379 2.599 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174652157 725518528 /nfs/dbraw/zinc/51/85/28/725518528.db2.gz ZHHVCXWUYSBWBO-IBGZPJMESA-N 1 0 341.411 2.759 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000897423379 725519439 /nfs/dbraw/zinc/51/94/39/725519439.db2.gz JTEWQANJBYCMPL-UHFFFAOYSA-N 1 0 339.367 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]3C[NH+]3CCCCC3)c2c1 ZINC000151967493 725885355 /nfs/dbraw/zinc/88/53/55/725885355.db2.gz FKLPMKZINHYGHC-KRWDZBQOSA-N 1 0 343.431 2.852 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000914149913 726082934 /nfs/dbraw/zinc/08/29/34/726082934.db2.gz JSUSRRJPZWOACW-IVMMDQJWSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914243575 726195000 /nfs/dbraw/zinc/19/50/00/726195000.db2.gz OKWCIZHYOWAWQE-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152627373 726199246 /nfs/dbraw/zinc/19/92/46/726199246.db2.gz JJGAKHRYWWECFU-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000897442921 726210728 /nfs/dbraw/zinc/21/07/28/726210728.db2.gz LQIAKVJFZXOMHT-CQSZACIVSA-N 1 0 346.431 2.611 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000897479991 726269060 /nfs/dbraw/zinc/26/90/60/726269060.db2.gz NQCRHBMOFUXZFV-HNNXBMFYSA-N 1 0 348.447 2.999 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897488129 726313310 /nfs/dbraw/zinc/31/33/10/726313310.db2.gz WHBPYSLVLIUOKT-AWEZNQCLSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000897504680 726348694 /nfs/dbraw/zinc/34/86/94/726348694.db2.gz DVVGUWOBOMTNCO-CYBMUJFWSA-N 1 0 334.420 2.613 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000153460712 726860882 /nfs/dbraw/zinc/86/08/82/726860882.db2.gz DPEPUSZCNITJCH-MRXNPFEDSA-N 1 0 343.431 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000153460590 726862748 /nfs/dbraw/zinc/86/27/48/726862748.db2.gz DPEPUSZCNITJCH-INIZCTEOSA-N 1 0 343.431 2.852 20 5 EFBDRO CCn1c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000731678406 726916531 /nfs/dbraw/zinc/91/65/31/726916531.db2.gz LXWYTZDFPFZQGN-KRWDZBQOSA-N 1 0 340.383 2.788 20 5 EFBDRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731843299 726941660 /nfs/dbraw/zinc/94/16/60/726941660.db2.gz ORHNCELHKIKNRW-UHFFFAOYSA-N 1 0 343.811 2.527 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000731873977 726946834 /nfs/dbraw/zinc/94/68/34/726946834.db2.gz ZFHYSZONQJKZEM-ZDUSSCGKSA-N 1 0 348.447 2.807 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccco4)C3)n2)c1 ZINC000732181795 727000974 /nfs/dbraw/zinc/00/09/74/727000974.db2.gz AGUUGRSVXFABQD-CQSZACIVSA-N 1 0 339.355 2.893 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000888283355 727202913 /nfs/dbraw/zinc/20/29/13/727202913.db2.gz OIMBXMNMLPNEQC-JTQLQIEISA-N 1 0 326.784 2.630 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000908573045 727218779 /nfs/dbraw/zinc/21/87/79/727218779.db2.gz MEUNFHDDHINYMS-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908573174 727218859 /nfs/dbraw/zinc/21/88/59/727218859.db2.gz IODZTBWAELXWIT-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908576566 727219914 /nfs/dbraw/zinc/21/99/14/727219914.db2.gz JDSXCPREWBBIME-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCO1 ZINC000130434719 727260232 /nfs/dbraw/zinc/26/02/32/727260232.db2.gz SFAWGXBEEHJWST-ZFWWWQNUSA-N 1 0 339.367 2.610 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000909913467 727392954 /nfs/dbraw/zinc/39/29/54/727392954.db2.gz FMSBTLYBMSKECH-SNVBAGLBSA-N 1 0 343.786 2.849 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000910281294 727426939 /nfs/dbraw/zinc/42/69/39/727426939.db2.gz JBGZNLRKRSIVPQ-GFCCVEGCSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000910284561 727427328 /nfs/dbraw/zinc/42/73/28/727427328.db2.gz QWHAIMNUAZEKJT-OLZOCXBDSA-N 1 0 337.395 2.780 20 5 EFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911794046 727600851 /nfs/dbraw/zinc/60/08/51/727600851.db2.gz FBWFBLYVRRUXIN-SJORKVTESA-N 1 0 337.379 2.983 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911811016 727602793 /nfs/dbraw/zinc/60/27/93/727602793.db2.gz PFCYSBZLNHLANY-QZTJIDSGSA-N 1 0 337.379 2.983 20 5 EFBDRO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000911819254 727603128 /nfs/dbraw/zinc/60/31/28/727603128.db2.gz OKIOVYFOZYMFBI-BBWFWOEESA-N 1 0 331.416 2.722 20 5 EFBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912149987 727664572 /nfs/dbraw/zinc/66/45/72/727664572.db2.gz HMMBTQULXSWQTG-QMTHXVAHSA-N 1 0 327.812 2.970 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCSCCC[NH3+] ZINC000912151373 727664786 /nfs/dbraw/zinc/66/47/86/727664786.db2.gz UYCQCJVJQJLMMT-UHFFFAOYSA-N 1 0 345.852 2.679 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733166041 727709277 /nfs/dbraw/zinc/70/92/77/727709277.db2.gz NYBYDJAUQIXXQZ-GFCCVEGCSA-N 1 0 325.434 2.633 20 5 EFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCCC[NH+](C)C)CC1 ZINC000912591660 727727604 /nfs/dbraw/zinc/72/76/04/727727604.db2.gz GESHDLRYGKPJAU-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653968 727732980 /nfs/dbraw/zinc/73/29/80/727732980.db2.gz XYFAZPIZVPZOQK-HUUCEWRRSA-N 1 0 340.383 2.801 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000150854798 727734405 /nfs/dbraw/zinc/73/44/05/727734405.db2.gz VCLWSEAJRRSBNR-LLVKDONJSA-N 1 0 325.384 2.748 20 5 EFBDRO COc1c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912806447 727744732 /nfs/dbraw/zinc/74/47/32/727744732.db2.gz FMMRBBJUSBTYLY-UKRRQHHQSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912813117 727746729 /nfs/dbraw/zinc/74/67/29/727746729.db2.gz FWWSNTJOSABAIC-YOEHRIQHSA-N 1 0 349.431 2.552 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000912812282 727747555 /nfs/dbraw/zinc/74/75/55/727747555.db2.gz VCXPMLUWTNENRB-IUODEOHRSA-N 1 0 337.395 2.926 20 5 EFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912812137 727747563 /nfs/dbraw/zinc/74/75/63/727747563.db2.gz SNJRTHNYNBQGJD-DZGCQCFKSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000912812579 727747582 /nfs/dbraw/zinc/74/75/82/727747582.db2.gz YUZVALBWUGZDQS-PBHICJAKSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912815981 727749071 /nfs/dbraw/zinc/74/90/71/727749071.db2.gz SHWDCUHRJALPRU-WMLDXEAASA-N 1 0 349.431 2.552 20 5 EFBDRO Cc1c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000917009627 727754336 /nfs/dbraw/zinc/75/43/36/727754336.db2.gz GZKYGZXAZVYLBT-UHFFFAOYSA-N 1 0 333.432 2.887 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139274388 727763317 /nfs/dbraw/zinc/76/33/17/727763317.db2.gz GYIWOHWTKSDSIS-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913293248 727817949 /nfs/dbraw/zinc/81/79/49/727817949.db2.gz LFROBZIQNDMYAP-HOTGVXAUSA-N 1 0 337.807 2.662 20 5 EFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000156519364 727927481 /nfs/dbraw/zinc/92/74/81/727927481.db2.gz IVGWARKCYGPTTP-CYBMUJFWSA-N 1 0 325.796 2.548 20 5 EFBDRO Cc1c(Br)c(NC2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC000165694616 728065316 /nfs/dbraw/zinc/06/53/16/728065316.db2.gz INAHKSOGMLOSBK-UHFFFAOYSA-N 1 0 329.198 2.743 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165829583 728072256 /nfs/dbraw/zinc/07/22/56/728072256.db2.gz UVUCNMOCRDELSU-UWVGGRQHSA-N 1 0 343.225 2.990 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165829108 728072278 /nfs/dbraw/zinc/07/22/78/728072278.db2.gz KSHJQRMIQGBUTA-IUCAKERBSA-N 1 0 329.198 2.600 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145892 728090151 /nfs/dbraw/zinc/09/01/51/728090151.db2.gz BLDINQCUMNPCPL-ZANVPECISA-N 1 0 329.194 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000172956667 728612062 /nfs/dbraw/zinc/61/20/62/728612062.db2.gz KLPISDGAHBCGBJ-HNNXBMFYSA-N 1 0 343.431 2.710 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000231078072 728612842 /nfs/dbraw/zinc/61/28/42/728612842.db2.gz UMHYAQRDTZBHIC-NSHDSACASA-N 1 0 331.210 2.854 20 5 EFBDRO Cc1nn(CN2CC[C@H](COCc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000172970978 728613116 /nfs/dbraw/zinc/61/31/16/728613116.db2.gz FUHWFOCHOLPDEQ-KRWDZBQOSA-N 1 0 344.415 2.904 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000173429955 728626000 /nfs/dbraw/zinc/62/60/00/728626000.db2.gz FCRJTQHCLYURDT-AWEZNQCLSA-N 1 0 331.420 2.566 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173432365 728626406 /nfs/dbraw/zinc/62/64/06/728626406.db2.gz XAFXXJZXZNQFIC-CQSZACIVSA-N 1 0 331.420 2.566 20 5 EFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000173549468 728629398 /nfs/dbraw/zinc/62/93/98/728629398.db2.gz HUWLPHQIBQDCRJ-QGZVFWFLSA-N 1 0 343.431 2.593 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000919965126 729118876 /nfs/dbraw/zinc/11/88/76/729118876.db2.gz PEBOWOKPIJTKDT-GRYCIOLGSA-N 1 0 333.392 2.909 20 5 EFBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000920463339 729185481 /nfs/dbraw/zinc/18/54/81/729185481.db2.gz CERHODXRPRPWGC-IKQZUGGXSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921330255 729289488 /nfs/dbraw/zinc/28/94/88/729289488.db2.gz FXGLPMXIHFADSN-INWMFGNUSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921384765 729302052 /nfs/dbraw/zinc/30/20/52/729302052.db2.gz WZBMFWCTCNKYEH-BZPMIXESSA-N 1 0 332.404 2.580 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000921438090 729457379 /nfs/dbraw/zinc/45/73/79/729457379.db2.gz PWJVWMFYQYAYGL-HIFRSBDPSA-N 1 0 334.420 2.829 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000921438091 729457457 /nfs/dbraw/zinc/45/74/57/729457457.db2.gz PWJVWMFYQYAYGL-UKRRQHHQSA-N 1 0 334.420 2.829 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931604230 1126136738 /nfs/dbraw/zinc/13/67/38/1126136738.db2.gz VVAUCJFVPZOUDF-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575049935 1088215286 /nfs/dbraw/zinc/21/52/86/1088215286.db2.gz VWOFWEKLVGQMEJ-FMSGJZPZSA-N 1 0 337.395 2.812 20 5 EFBDRO CC(C)(NC(=O)NCC[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001575381139 1088427453 /nfs/dbraw/zinc/42/74/53/1088427453.db2.gz ZAXKLVUXAABMTI-AWEZNQCLSA-N 1 0 348.447 2.909 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC12CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001575521790 1088529534 /nfs/dbraw/zinc/52/95/34/1088529534.db2.gz UPAYLIQFIDFIGX-HNNXBMFYSA-N 1 0 335.379 2.584 20 5 EFBDRO C[C@@H](CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001576023609 1088860229 /nfs/dbraw/zinc/86/02/29/1088860229.db2.gz QNXSYRDQQDMMSI-KBPBESRZSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001576131035 1088951300 /nfs/dbraw/zinc/95/13/00/1088951300.db2.gz VDLMRRSGMIUNMX-HIFRSBDPSA-N 1 0 339.395 2.999 20 5 EFBDRO C[C@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176305 1088979409 /nfs/dbraw/zinc/97/94/09/1088979409.db2.gz VGVDBCQAEANOCT-BTDLBPIBSA-N 1 0 349.337 2.924 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001576371388 1089155489 /nfs/dbraw/zinc/15/54/89/1089155489.db2.gz KVECSDGDCLBOTR-CWRNSKLLSA-N 1 0 331.416 2.674 20 5 EFBDRO CC1(C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCC[NH2+][C@H]21 ZINC001576388789 1089175420 /nfs/dbraw/zinc/17/54/20/1089175420.db2.gz CGUQYNOZLXOPPN-VCTAVGKDSA-N 1 0 327.388 2.727 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC001576489993 1089295133 /nfs/dbraw/zinc/29/51/33/1089295133.db2.gz WHEZAQFWGJQDSD-GFCCVEGCSA-N 1 0 328.210 2.587 20 5 EFBDRO CC1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001576517244 1089303327 /nfs/dbraw/zinc/30/33/27/1089303327.db2.gz FHHUPEUYOYNMMD-UHFFFAOYSA-N 1 0 345.321 2.733 20 5 EFBDRO C[C@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC001576518428 1089304612 /nfs/dbraw/zinc/30/46/12/1089304612.db2.gz ZRRSPTWJZHAMSS-AWEZNQCLSA-N 1 0 345.321 2.733 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576530752 1089312420 /nfs/dbraw/zinc/31/24/20/1089312420.db2.gz NUGQVHKGHRKSQM-CXAGYDPISA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576530755 1089313094 /nfs/dbraw/zinc/31/30/94/1089313094.db2.gz NUGQVHKGHRKSQM-SUMWQHHRSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH2+]1 ZINC001576665450 1089386111 /nfs/dbraw/zinc/38/61/11/1089386111.db2.gz GBKSJORQVGXXIT-OCCSQVGLSA-N 1 0 335.407 2.552 20 5 EFBDRO C[C@H]1CC[C@H](NCc2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001576670119 1089388327 /nfs/dbraw/zinc/38/83/27/1089388327.db2.gz CYKNQXDOPWQBIJ-UWVGGRQHSA-N 1 0 328.210 2.587 20 5 EFBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576681588 1089393334 /nfs/dbraw/zinc/39/33/34/1089393334.db2.gz JVMAYNUIGXQAMR-BMIGLBTASA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001576682415 1089394724 /nfs/dbraw/zinc/39/47/24/1089394724.db2.gz WCAAXUDFPLPKLR-YVEFUNNKSA-N 1 0 337.395 2.690 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001576748762 1089434713 /nfs/dbraw/zinc/43/47/13/1089434713.db2.gz NLTUMVLJTJRDDT-FYBVGQRMSA-N 1 0 348.266 2.895 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001576748764 1089435619 /nfs/dbraw/zinc/43/56/19/1089435619.db2.gz NLTUMVLJTJRDDT-VHSKPIJISA-N 1 0 348.266 2.895 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001576748763 1089436048 /nfs/dbraw/zinc/43/60/48/1089436048.db2.gz NLTUMVLJTJRDDT-SOCHQFKDSA-N 1 0 348.266 2.895 20 5 EFBDRO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@@H]1C[NH3+] ZINC001576806898 1089469274 /nfs/dbraw/zinc/46/92/74/1089469274.db2.gz KSHDHNUEZJQRPR-RKDXNWHRSA-N 1 0 348.266 2.836 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001576881463 1089504310 /nfs/dbraw/zinc/50/43/10/1089504310.db2.gz VKSUQHOVKRBGAT-HRDYMLBCSA-N 1 0 329.759 2.598 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577597002 1090072027 /nfs/dbraw/zinc/07/20/27/1090072027.db2.gz ORZHGKXYLGAAPR-VXGBXAGGSA-N 1 0 337.445 2.967 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC001577902293 1090209514 /nfs/dbraw/zinc/20/95/14/1090209514.db2.gz MIUOWILCALTKEU-WFASDCNBSA-N 1 0 334.420 2.616 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](C[NH2+]C)C2)cc1C ZINC001578056763 1090239428 /nfs/dbraw/zinc/23/94/28/1090239428.db2.gz WBOCTRFZSYGODG-ZDUSSCGKSA-N 1 0 335.404 2.516 20 5 EFBDRO CCOc1cc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1[N+](=O)[O-] ZINC001578168594 1090287532 /nfs/dbraw/zinc/28/75/32/1090287532.db2.gz YDMFALCMHDDSBK-KRWDZBQOSA-N 1 0 348.403 2.743 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001578189756 1090299883 /nfs/dbraw/zinc/29/98/83/1090299883.db2.gz RNNOTQWPLFUNMI-UHFFFAOYSA-N 1 0 348.403 2.647 20 5 EFBDRO CCc1cc(N[C@@H](C[NH3+])CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578248873 1090317635 /nfs/dbraw/zinc/31/76/35/1090317635.db2.gz CCLHRMCINXZHEW-OAHLLOKOSA-N 1 0 343.431 2.821 20 5 EFBDRO CCc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578249217 1090317738 /nfs/dbraw/zinc/31/77/38/1090317738.db2.gz UKYMMULMOHWLFT-CTYIDZIISA-N 1 0 341.415 2.718 20 5 EFBDRO CCc1cc(NCCC[NH2+]C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578249151 1090318049 /nfs/dbraw/zinc/31/80/49/1090318049.db2.gz PLHSXDWSTUJZAE-UHFFFAOYSA-N 1 0 341.415 2.590 20 5 EFBDRO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCCCC1 ZINC001578367191 1090351741 /nfs/dbraw/zinc/35/17/41/1090351741.db2.gz RFAWQEATRLHPGE-UHFFFAOYSA-N 1 0 341.358 2.807 20 5 EFBDRO C[NH2+][C@@H](C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001578571070 1090400196 /nfs/dbraw/zinc/40/01/96/1090400196.db2.gz JSEVIZXQPDACLA-ZDUSSCGKSA-N 1 0 330.388 2.979 20 5 EFBDRO C[NH2+][C@H](C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001578571069 1090400235 /nfs/dbraw/zinc/40/02/35/1090400235.db2.gz JSEVIZXQPDACLA-CYBMUJFWSA-N 1 0 330.388 2.979 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001578654204 1090413625 /nfs/dbraw/zinc/41/36/25/1090413625.db2.gz KLHJYCQTZWXUCR-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001578654205 1090413932 /nfs/dbraw/zinc/41/39/32/1090413932.db2.gz KLHJYCQTZWXUCR-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO C[NH2+]CC[C@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001578676842 1090418875 /nfs/dbraw/zinc/41/88/75/1090418875.db2.gz PWONIAPCHFHWRK-CYBMUJFWSA-N 1 0 345.403 2.609 20 5 EFBDRO COc1c(O)ccc(C[NH2+]Cc2cccc3c2CCCN3)c1[N+](=O)[O-] ZINC001579136196 1090522384 /nfs/dbraw/zinc/52/23/84/1090522384.db2.gz DXKOHRMZMSXOOR-UHFFFAOYSA-N 1 0 343.383 2.957 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001579181102 1090536818 /nfs/dbraw/zinc/53/68/18/1090536818.db2.gz XWKRZUFPMPRTQY-XJKSGUPXSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@H]([C@H](C)[NH3+])C3)c2c1 ZINC001579257383 1090563426 /nfs/dbraw/zinc/56/34/26/1090563426.db2.gz DOJHVUORUZOUKR-RYUDHWBXSA-N 1 0 330.388 2.715 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001579269206 1090571916 /nfs/dbraw/zinc/57/19/16/1090571916.db2.gz PYOJMBQRTKXSRC-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001579453787 1090615756 /nfs/dbraw/zinc/61/57/56/1090615756.db2.gz LDVWFUVVZOZBEN-NXEZZACHSA-N 1 0 345.321 2.589 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001579481233 1090620879 /nfs/dbraw/zinc/62/08/79/1090620879.db2.gz IDEWQMWUKPIJCV-LBPRGKRZSA-N 1 0 334.420 2.517 20 5 EFBDRO C[C@H](OC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579484727 1090620894 /nfs/dbraw/zinc/62/08/94/1090620894.db2.gz HYBNKDLCCCZXPL-TVQRCGJNSA-N 1 0 332.278 2.741 20 5 EFBDRO Cc1c(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001579519094 1090625498 /nfs/dbraw/zinc/62/54/98/1090625498.db2.gz IIZGPWACOYSXHS-CQSZACIVSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1c(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539743 1090630463 /nfs/dbraw/zinc/63/04/63/1090630463.db2.gz KNQQYINIFMDZHM-WPRPVWTQSA-N 1 0 331.294 2.859 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2n1CC[NH2+][C@@H]2C ZINC001579577687 1090637132 /nfs/dbraw/zinc/63/71/32/1090637132.db2.gz ZBBORVKPCLIIPI-GFCCVEGCSA-N 1 0 328.372 2.930 20 5 EFBDRO Cc1cc(C[NH3+])cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC001579596210 1090639383 /nfs/dbraw/zinc/63/93/83/1090639383.db2.gz VGUUDKWFSZGPSU-UHFFFAOYSA-N 1 0 326.356 2.990 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC001579604872 1090641120 /nfs/dbraw/zinc/64/11/20/1090641120.db2.gz CTZYNCDQXZLDEM-JTQLQIEISA-N 1 0 341.795 2.639 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC001579605307 1090641212 /nfs/dbraw/zinc/64/12/12/1090641212.db2.gz PMVDBCBBAIGJFO-UHFFFAOYSA-N 1 0 326.784 2.902 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001579608133 1090641945 /nfs/dbraw/zinc/64/19/45/1090641945.db2.gz KPOVKIDJQJURRZ-IUODEOHRSA-N 1 0 335.379 2.647 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1F ZINC001579642330 1090648788 /nfs/dbraw/zinc/64/87/88/1090648788.db2.gz ABLYLFFEYPGOLP-UHFFFAOYSA-N 1 0 337.395 2.879 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1Cl ZINC001579642343 1090648967 /nfs/dbraw/zinc/64/89/67/1090648967.db2.gz AXBWYLJXJVEIRE-LLHLLMPMSA-N 1 0 325.796 2.673 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(CN)CCCC[C@H]1C ZINC001579642336 1090648975 /nfs/dbraw/zinc/64/89/75/1090648975.db2.gz AMJCRKMGVBFIIL-KDOFPFPSSA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(CN)CCCC[C@@H]1C ZINC001579642335 1090649038 /nfs/dbraw/zinc/64/90/38/1090649038.db2.gz AMJCRKMGVBFIIL-KBXCAEBGSA-N 1 0 348.447 2.729 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1Cl ZINC001579642420 1090649106 /nfs/dbraw/zinc/64/91/06/1090649106.db2.gz FBYXZDCYHJDMJV-LLVKDONJSA-N 1 0 325.796 2.900 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC001579642715 1090649850 /nfs/dbraw/zinc/64/98/50/1090649850.db2.gz SDGIOOHRTTYMMF-OAHLLOKOSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1Cl ZINC001579642855 1090649854 /nfs/dbraw/zinc/64/98/54/1090649854.db2.gz ZAUJBDHQYVAEBU-MEDUHNTESA-N 1 0 337.807 2.900 20 5 EFBDRO Cc1ccc([C@H]([NH3+])C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001579668475 1090657217 /nfs/dbraw/zinc/65/72/17/1090657217.db2.gz FUGZFBNOAOWHOA-INIZCTEOSA-N 1 0 347.802 2.915 20 5 EFBDRO Cc1cccc(C(=O)N2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1[N+](=O)[O-] ZINC001579750291 1090678310 /nfs/dbraw/zinc/67/83/10/1090678310.db2.gz MJGCHOPWVDWFAM-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001579792812 1090688256 /nfs/dbraw/zinc/68/82/56/1090688256.db2.gz CFEZUXNUAFYZCF-INIZCTEOSA-N 1 0 347.802 2.915 20 5 EFBDRO [NH3+][C@@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001580128199 1090782508 /nfs/dbraw/zinc/78/25/08/1090782508.db2.gz SEAPJCYTZANNFW-NLZINVLXSA-N 1 0 339.395 2.684 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001580157023 1090792405 /nfs/dbraw/zinc/79/24/05/1090792405.db2.gz CVPXBBBZDVAZKC-RTHLEPHNSA-N 1 0 344.198 2.855 20 5 EFBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC001580165192 1090795828 /nfs/dbraw/zinc/79/58/28/1090795828.db2.gz HUISBKCAYLNAOM-UHFFFAOYSA-N 1 0 343.305 2.613 20 5 EFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580184340 1090803917 /nfs/dbraw/zinc/80/39/17/1090803917.db2.gz WEQBVNRAPYKFND-NSHDSACASA-N 1 0 345.321 2.957 20 5 EFBDRO [NH3+]CC1(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001580243995 1090828661 /nfs/dbraw/zinc/82/86/61/1090828661.db2.gz HIHKJCIHYLHJIH-UHFFFAOYSA-N 1 0 340.383 2.516 20 5 EFBDRO [NH3+]C[C@@]12CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]1CCCC2 ZINC001580253751 1090834102 /nfs/dbraw/zinc/83/41/02/1090834102.db2.gz RLFMVQNAHFCNGS-UGSOOPFHSA-N 1 0 343.383 2.932 20 5 EFBDRO [NH3+]C[C@]12CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]1CCCC2 ZINC001580253749 1090834321 /nfs/dbraw/zinc/83/43/21/1090834321.db2.gz RLFMVQNAHFCNGS-FZKQIMNGSA-N 1 0 343.383 2.932 20 5 EFBDRO [NH3+]CCN(CCc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001580309962 1090857823 /nfs/dbraw/zinc/85/78/23/1090857823.db2.gz UMNHDTFIWHSTIW-DHZHZOJOSA-N 1 0 339.395 2.638 20 5 EFBDRO [NH3+]Cc1cccnc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001580347337 1090872532 /nfs/dbraw/zinc/87/25/32/1090872532.db2.gz VRLZBEPQXLRHOF-UHFFFAOYSA-N 1 0 340.261 2.720 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001580376223 1090883582 /nfs/dbraw/zinc/88/35/82/1090883582.db2.gz FHNABJLIAKNRDR-NWDGAFQWSA-N 1 0 332.385 2.784 20 5 EFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001580405059 1090890128 /nfs/dbraw/zinc/89/01/28/1090890128.db2.gz YOJDBWCHIDIJCK-HUUCEWRRSA-N 1 0 331.759 2.603 20 5 EFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580482114 1090914338 /nfs/dbraw/zinc/91/43/38/1090914338.db2.gz WUCOOZDHICZVJR-MAZHCROVSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580482117 1090914569 /nfs/dbraw/zinc/91/45/69/1090914569.db2.gz WUCOOZDHICZVJR-WQVCFCJDSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C(CC[NH2+]C1CC1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001580538069 1090939153 /nfs/dbraw/zinc/93/91/53/1090939153.db2.gz QDQFTAMIRJEVJU-CYBMUJFWSA-N 1 0 332.278 2.884 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001580573143 1090955255 /nfs/dbraw/zinc/95/52/55/1090955255.db2.gz FMRQIWQCPZUCNU-HZPDHXFCSA-N 1 0 331.416 2.518 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001580573139 1090955282 /nfs/dbraw/zinc/95/52/82/1090955282.db2.gz FMRQIWQCPZUCNU-CVEARBPZSA-N 1 0 331.416 2.518 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001580682894 1090985019 /nfs/dbraw/zinc/98/50/19/1090985019.db2.gz YNQGAQSCDJFMEG-INIZCTEOSA-N 1 0 348.447 2.749 20 5 EFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001580718029 1090991222 /nfs/dbraw/zinc/99/12/22/1090991222.db2.gz HNYLYUMISFXTOX-UHFFFAOYSA-N 1 0 331.759 2.781 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001580753316 1090996921 /nfs/dbraw/zinc/99/69/21/1090996921.db2.gz XGJCAHJZZWHLOH-ZDUSSCGKSA-N 1 0 343.408 2.838 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001580770007 1091003611 /nfs/dbraw/zinc/00/36/11/1091003611.db2.gz JMWRNXAVFPUWJN-UHFFFAOYSA-N 1 0 333.294 2.929 20 5 EFBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580773670 1091004325 /nfs/dbraw/zinc/00/43/25/1091004325.db2.gz CLHKTFQRLFVPQI-AWEZNQCLSA-N 1 0 340.383 2.861 20 5 EFBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001580801540 1091013419 /nfs/dbraw/zinc/01/34/19/1091013419.db2.gz UMQWPUKPZQHZOV-SFHVURJKSA-N 1 0 326.352 2.569 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001580821567 1091020942 /nfs/dbraw/zinc/02/09/42/1091020942.db2.gz YWBIIVOYLAAJQJ-OLZOCXBDSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001580821948 1091020992 /nfs/dbraw/zinc/02/09/92/1091020992.db2.gz JVDUIQKUEWSUFP-WBMJQRKESA-N 1 0 335.379 2.728 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC001580876791 1091031676 /nfs/dbraw/zinc/03/16/76/1091031676.db2.gz UZAIPRPSCIYBHO-PWSUYJOCSA-N 1 0 346.250 2.793 20 5 EFBDRO CC(C)[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001589695776 1093127639 /nfs/dbraw/zinc/12/76/39/1093127639.db2.gz VQJVDMVBHOQCKD-UHFFFAOYSA-N 1 0 330.392 2.928 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626798 1093146245 /nfs/dbraw/zinc/14/62/45/1093146245.db2.gz UAYOTDDZPSPVED-UHFFFAOYSA-N 1 0 335.404 2.866 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cc(-c2nn[nH]n2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC001589950974 1093190669 /nfs/dbraw/zinc/19/06/69/1093190669.db2.gz ZDZNQGBFIHRVGC-GHMZBOCLSA-N 1 0 339.359 2.582 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCO)C2CC2)ccc1Br ZINC000404264115 1093214249 /nfs/dbraw/zinc/21/42/49/1093214249.db2.gz YMSCGDFBJCJJCR-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245014 1093335460 /nfs/dbraw/zinc/33/54/60/1093335460.db2.gz XPOZKQKWBORAAL-RYUDHWBXSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245591 1093336356 /nfs/dbraw/zinc/33/63/56/1093336356.db2.gz XQPGRAFFGGDGAB-NEPJUHHUSA-N 1 0 330.392 2.785 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590687986 1093550463 /nfs/dbraw/zinc/55/04/63/1093550463.db2.gz RJDZHBPOUOCBKG-LBPRGKRZSA-N 1 0 347.423 2.697 20 5 EFBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC001591137104 1093670380 /nfs/dbraw/zinc/67/03/80/1093670380.db2.gz RQOYDHNZGRIAFJ-CYBMUJFWSA-N 1 0 330.392 2.785 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001593467243 1094308827 /nfs/dbraw/zinc/30/88/27/1094308827.db2.gz OEAVZYQGUWTXSG-UHFFFAOYSA-N 1 0 328.376 2.541 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C2CCC2)CC1 ZINC001593467322 1094311812 /nfs/dbraw/zinc/31/18/12/1094311812.db2.gz OVWWNJWIGHDPAV-UHFFFAOYSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218423667 1094638857 /nfs/dbraw/zinc/63/88/57/1094638857.db2.gz LVXYZENGAVPDQC-XCBNKYQSSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)ccc1Br ZINC001217945595 1095059066 /nfs/dbraw/zinc/05/90/66/1095059066.db2.gz KYCMRRMFYAYEAG-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CC[NH2+]C1)CCC2 ZINC001218181895 1095747492 /nfs/dbraw/zinc/74/74/92/1095747492.db2.gz HIFUQYHSSPKHSW-VIFPVBQESA-N 1 0 327.178 2.587 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000893684295 1095874308 /nfs/dbraw/zinc/87/43/08/1095874308.db2.gz AJADBTQMSGEJEA-HIFRSBDPSA-N 1 0 338.404 2.992 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001604061208 1096714784 /nfs/dbraw/zinc/71/47/84/1096714784.db2.gz KRYORILXIVPNSW-STQMWFEESA-N 1 0 330.392 2.689 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC001607084476 1097509814 /nfs/dbraw/zinc/50/98/14/1097509814.db2.gz IIFAUTSZUAIPNS-INIZCTEOSA-N 1 0 336.355 2.552 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3ccc3cccnc34)[C@@H]2C1 ZINC001269225039 1097965877 /nfs/dbraw/zinc/96/58/77/1097965877.db2.gz OGDDTLLZCMUHGE-WMLDXEAASA-N 1 0 332.407 2.559 20 5 EFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609153921 1098170981 /nfs/dbraw/zinc/17/09/81/1098170981.db2.gz FWBJFHFMMJIQOO-UTUOFQBUSA-N 1 0 330.392 2.641 20 5 EFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc3ccccc3nc21 ZINC001269504146 1098188112 /nfs/dbraw/zinc/18/81/12/1098188112.db2.gz AVWXDTASGYCHAJ-OKILXGFUSA-N 1 0 332.407 2.702 20 5 EFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609199812 1098196695 /nfs/dbraw/zinc/19/66/95/1098196695.db2.gz GLTYCMZJXJDEOM-FZMZJTMJSA-N 1 0 330.392 2.833 20 5 EFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609199811 1098196732 /nfs/dbraw/zinc/19/67/32/1098196732.db2.gz GLTYCMZJXJDEOM-BXUZGUMPSA-N 1 0 330.392 2.833 20 5 EFBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609199814 1098196908 /nfs/dbraw/zinc/19/69/08/1098196908.db2.gz GLTYCMZJXJDEOM-SMDDNHRTSA-N 1 0 330.392 2.833 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167753034 1098817050 /nfs/dbraw/zinc/81/70/50/1098817050.db2.gz AURJPCDRCZIUKW-LBPRGKRZSA-N 1 0 332.404 2.515 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000749637899 1099151265 /nfs/dbraw/zinc/15/12/65/1099151265.db2.gz FIWGGSARGOQPGH-HUUCEWRRSA-N 1 0 335.429 2.582 20 5 EFBDRO [NH3+]CCc1cn(-c2c(Cl)cncc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986305 1099541328 /nfs/dbraw/zinc/54/13/28/1099541328.db2.gz SACFQJJOSFKUML-UHFFFAOYSA-N 1 0 332.747 2.794 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986900 1099563432 /nfs/dbraw/zinc/56/34/32/1099563432.db2.gz IHBQUWJQKUZDMN-UHFFFAOYSA-N 1 0 337.339 2.622 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000843765485 1099692685 /nfs/dbraw/zinc/69/26/85/1099692685.db2.gz IHHCAPKENWJGQV-NEPJUHHUSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000843776212 1100184275 /nfs/dbraw/zinc/18/42/75/1100184275.db2.gz YYJAJVFGMIKXQT-NEPJUHHUSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525644 1100212815 /nfs/dbraw/zinc/21/28/15/1100212815.db2.gz JJOSISFCSKNNJA-XIKOKIGWSA-N 1 0 348.447 2.726 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000840209840 1100903400 /nfs/dbraw/zinc/90/34/00/1100903400.db2.gz DXUPPXBYPVFXRN-UHFFFAOYSA-N 1 0 345.359 2.734 20 5 EFBDRO COc1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167069593 1101387351 /nfs/dbraw/zinc/38/73/51/1101387351.db2.gz KUHAUYSEMNTCMS-UHFFFAOYSA-N 1 0 340.383 2.771 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c1C ZINC001167098145 1101645468 /nfs/dbraw/zinc/64/54/68/1101645468.db2.gz FIHINAUUFLRQGJ-UHFFFAOYSA-N 1 0 346.778 2.713 20 5 EFBDRO Cc1cnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001167159401 1101963659 /nfs/dbraw/zinc/96/36/59/1101963659.db2.gz ATSUNRPFXNIIKM-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO Cc1c(C)c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001167207543 1102051883 /nfs/dbraw/zinc/05/18/83/1102051883.db2.gz ANNYWZXFTJOZGR-APWZRJJASA-N 1 0 338.411 2.584 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)(F)F)CC1 ZINC001167236187 1102112844 /nfs/dbraw/zinc/11/28/44/1102112844.db2.gz DQZCXJHCSLLETB-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(C)C ZINC000840882060 1102264530 /nfs/dbraw/zinc/26/45/30/1102264530.db2.gz LTBDRYQTGHKLPN-ROUUACIJSA-N 1 0 335.448 2.949 20 5 EFBDRO CC(C)(CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000840960041 1102581781 /nfs/dbraw/zinc/58/17/81/1102581781.db2.gz CECBVHDVDPPTCP-UHFFFAOYSA-N 1 0 334.825 2.551 20 5 EFBDRO COc1ccc(F)cc1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905477989 1103211348 /nfs/dbraw/zinc/21/13/48/1103211348.db2.gz GFTRAIMSRUFCHT-MRXNPFEDSA-N 1 0 334.347 2.608 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841233115 1103440568 /nfs/dbraw/zinc/44/05/68/1103440568.db2.gz LMFQCXDHBZPENX-GMTAPVOTSA-N 1 0 338.795 2.758 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000905680409 1103496930 /nfs/dbraw/zinc/49/69/30/1103496930.db2.gz GPSFCPKQMRGLAC-HNNXBMFYSA-N 1 0 333.417 2.570 20 5 EFBDRO Cc1oc(C(C)C)nc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127168086 1104340745 /nfs/dbraw/zinc/34/07/45/1104340745.db2.gz AXTFDFXMQRPOAT-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001168226398 1104557080 /nfs/dbraw/zinc/55/70/80/1104557080.db2.gz HPNZHAUFUFQXQH-OLZOCXBDSA-N 1 0 339.367 2.662 20 5 EFBDRO C[C@@]1(O)C[NH2+][C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211935636 1104643700 /nfs/dbraw/zinc/64/37/00/1104643700.db2.gz PSZYOBHWFZWNMT-LIRRHRJNSA-N 1 0 347.378 2.618 20 5 EFBDRO Cc1ccc(C[NH2+]CC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000729684718 1104783114 /nfs/dbraw/zinc/78/31/14/1104783114.db2.gz FELOGBZSMINWKO-UHFFFAOYSA-N 1 0 325.368 2.582 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000897557912 1105728161 /nfs/dbraw/zinc/72/81/61/1105728161.db2.gz SRTOWKDSELIWNN-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969635 1106154663 /nfs/dbraw/zinc/15/46/63/1106154663.db2.gz LVKZRCGJIMXKOD-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000898254376 1106289101 /nfs/dbraw/zinc/28/91/01/1106289101.db2.gz CIDFGJBUYQOPED-ZDUSSCGKSA-N 1 0 342.399 2.848 20 5 EFBDRO Cc1cc(NC2C[NH+](C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168312625 1106578433 /nfs/dbraw/zinc/57/84/33/1106578433.db2.gz CTFZXDXJONUPQR-UHFFFAOYSA-N 1 0 327.388 2.865 20 5 EFBDRO O=C(C1=CCCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000991031726 1107327187 /nfs/dbraw/zinc/32/71/87/1107327187.db2.gz XGKZPOXJASMROQ-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO O=C(CC1CCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990612907 1108386157 /nfs/dbraw/zinc/38/61/57/1108386157.db2.gz YGSGAOZGFAGGQY-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCC[C@]23CC[NH2+]C3)n1 ZINC001212122339 1109094536 /nfs/dbraw/zinc/09/45/36/1109094536.db2.gz QUDPBFLEHWLSBU-MEDUHNTESA-N 1 0 347.350 2.816 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000842171221 1109095153 /nfs/dbraw/zinc/09/51/53/1109095153.db2.gz QHOPAWFSASHXNW-UHFFFAOYSA-N 1 0 336.392 2.809 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000843804148 1109185474 /nfs/dbraw/zinc/18/54/74/1109185474.db2.gz FHHIRSBJKJDZJH-ZDUSSCGKSA-N 1 0 335.379 2.600 20 5 EFBDRO Cc1c(NC(=O)CCCN2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000899936522 1109555832 /nfs/dbraw/zinc/55/58/32/1109555832.db2.gz YOALNWWWIKWOFM-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1[nH]ccc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990856544 1109727672 /nfs/dbraw/zinc/72/76/72/1109727672.db2.gz CLKUHUXDWLIVET-UHFFFAOYSA-N 1 0 348.428 2.687 20 5 EFBDRO CC(C)=C(F)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990992573 1110101059 /nfs/dbraw/zinc/10/10/59/1110101059.db2.gz HLPYSYBHBOWNDX-UHFFFAOYSA-N 1 0 335.379 2.939 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCC(C)CC1 ZINC001106818161 1111880096 /nfs/dbraw/zinc/88/00/96/1111880096.db2.gz VFHHKQYTPHKATR-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001106922060 1118578209 /nfs/dbraw/zinc/57/82/09/1118578209.db2.gz KKNSJDWIBRMZTD-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC(C)COC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072073690 1119041258 /nfs/dbraw/zinc/04/12/58/1119041258.db2.gz VTBXJLLKCALNBS-UHFFFAOYSA-N 1 0 335.404 2.895 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370503803 282126521 /nfs/dbraw/zinc/12/65/21/282126521.db2.gz YUMMGAOAQNATJA-OAHLLOKOSA-N 1 0 341.367 2.564 20 5 EFBDRO CSc1cccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000188044586 295680801 /nfs/dbraw/zinc/68/08/01/295680801.db2.gz UGAKUVLSXXXZGG-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000187581972 529551845 /nfs/dbraw/zinc/55/18/45/529551845.db2.gz JEUYLCAHNFKONK-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177549752 282259833 /nfs/dbraw/zinc/25/98/33/282259833.db2.gz TWZOIIVIOGHUGU-RYUDHWBXSA-N 1 0 325.796 2.851 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933933 529901906 /nfs/dbraw/zinc/90/19/06/529901906.db2.gz NUAUFFPBGRISLD-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccn1 ZINC000181807992 234330070 /nfs/dbraw/zinc/33/00/70/234330070.db2.gz NLNJFKKBROMOGJ-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000349961550 295862875 /nfs/dbraw/zinc/86/28/75/295862875.db2.gz MEAHMBJSEVESII-MCIONIFRSA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000183438335 235076840 /nfs/dbraw/zinc/07/68/40/235076840.db2.gz QXXLUGXMKNAQGC-LBPRGKRZSA-N 1 0 345.403 2.625 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000183473815 235098537 /nfs/dbraw/zinc/09/85/37/235098537.db2.gz WRYBFYPZYLCKIQ-LKFCYVNXSA-N 1 0 341.795 2.590 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183574492 235146456 /nfs/dbraw/zinc/14/64/56/235146456.db2.gz KFUIQZKBSACTLW-UHFFFAOYSA-N 1 0 335.408 2.576 20 5 EFBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184242230 235345211 /nfs/dbraw/zinc/34/52/11/235345211.db2.gz RPXIEGJKUFRUGM-UHFFFAOYSA-N 1 0 337.395 2.803 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000164169130 283162486 /nfs/dbraw/zinc/16/24/86/283162486.db2.gz XJDIDEVFIJGYAJ-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000164173986 283162746 /nfs/dbraw/zinc/16/27/46/283162746.db2.gz LBUZLMRJUXIPHA-YPMHNXCESA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000185898481 235781316 /nfs/dbraw/zinc/78/13/16/235781316.db2.gz FYBZKBIZLCKDCW-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000186867607 236047876 /nfs/dbraw/zinc/04/78/76/236047876.db2.gz WCJAZZGDGNQYIR-CYBMUJFWSA-N 1 0 328.434 2.769 20 5 EFBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1([NH+](C)C)CCC1 ZINC000186966068 236080261 /nfs/dbraw/zinc/08/02/61/236080261.db2.gz LMSCAISQWNFIOQ-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187222248 236149972 /nfs/dbraw/zinc/14/99/72/236149972.db2.gz DZSUFKHDJRWQMB-IFXJQAMLSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187278621 236166237 /nfs/dbraw/zinc/16/62/37/236166237.db2.gz GKHSXYFPAPAPCU-KBPBESRZSA-N 1 0 348.447 2.665 20 5 EFBDRO C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000189725290 237189729 /nfs/dbraw/zinc/18/97/29/237189729.db2.gz ADWVCXHLCGSGFV-ZDUSSCGKSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071970316 202365669 /nfs/dbraw/zinc/36/56/69/202365669.db2.gz JPZUMZCBIJSSJE-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000181772317 299301428 /nfs/dbraw/zinc/30/14/28/299301428.db2.gz WIWLLXIQLCXXBL-AWEZNQCLSA-N 1 0 329.400 2.712 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000077563600 202392546 /nfs/dbraw/zinc/39/25/46/202392546.db2.gz XZBWNZNQOLGZIR-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190248933 238330433 /nfs/dbraw/zinc/33/04/33/238330433.db2.gz IRKNECCYCAYGPH-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000131309242 223221909 /nfs/dbraw/zinc/22/19/09/223221909.db2.gz BKGXWUCCYOITJY-GFCCVEGCSA-N 1 0 332.429 2.933 20 5 EFBDRO C[C@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129372090 201107297 /nfs/dbraw/zinc/10/72/97/201107297.db2.gz DTFZMAASEFJZCZ-LBPRGKRZSA-N 1 0 329.198 2.554 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701532 201094257 /nfs/dbraw/zinc/09/42/57/201094257.db2.gz SMEWMBMACPCFQY-AWEZNQCLSA-N 1 0 335.404 2.736 20 5 EFBDRO CCOC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000236881696 201147734 /nfs/dbraw/zinc/14/77/34/201147734.db2.gz NDZFBYADUCHENV-UHFFFAOYSA-N 1 0 341.795 2.959 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267594774 201222475 /nfs/dbraw/zinc/22/24/75/201222475.db2.gz QYMDZLMZQUHPKC-NEPJUHHUSA-N 1 0 337.807 2.947 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267345940 201222645 /nfs/dbraw/zinc/22/26/45/201222645.db2.gz IJUCFRFNYUPTKW-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000274377698 201268215 /nfs/dbraw/zinc/26/82/15/201268215.db2.gz LZXGXBKKJDQXNY-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CCC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280910485 201325734 /nfs/dbraw/zinc/32/57/34/201325734.db2.gz GLGWYARXJZWDDX-CQSZACIVSA-N 1 0 326.418 2.603 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000299246589 201354827 /nfs/dbraw/zinc/35/48/27/201354827.db2.gz PDOQUTHFUPXIHU-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000192526101 240051048 /nfs/dbraw/zinc/05/10/48/240051048.db2.gz AXDSWHHAOYJRKT-CQSZACIVSA-N 1 0 348.428 2.620 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193646634 240247916 /nfs/dbraw/zinc/24/79/16/240247916.db2.gz HKTQOTQBXTZGML-MFKMUULPSA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000195336334 240218303 /nfs/dbraw/zinc/21/83/03/240218303.db2.gz JNJDXNQETNCAAQ-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO COc1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000195324654 240218608 /nfs/dbraw/zinc/21/86/08/240218608.db2.gz RSBLEPAVAHZSDL-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194003996 240395233 /nfs/dbraw/zinc/39/52/33/240395233.db2.gz CMYZNBXNOJHWNM-AWEZNQCLSA-N 1 0 336.392 2.809 20 5 EFBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000229349861 242157339 /nfs/dbraw/zinc/15/73/39/242157339.db2.gz BFHCEGFFCRHDEJ-CVEARBPZSA-N 1 0 348.403 2.671 20 5 EFBDRO CCN(CC)[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236813801 242367467 /nfs/dbraw/zinc/36/74/67/242367467.db2.gz WCXYVAANOHHPTG-AWEZNQCLSA-N 1 0 345.447 2.815 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236662960 242310355 /nfs/dbraw/zinc/31/03/55/242310355.db2.gz ISEQSJXRWHRHBD-NHYWBVRUSA-N 1 0 325.434 2.565 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236848307 242379723 /nfs/dbraw/zinc/37/97/23/242379723.db2.gz ONFXSNJEORLJLX-RYUDHWBXSA-N 1 0 325.434 2.709 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236880906 242393761 /nfs/dbraw/zinc/39/37/61/242393761.db2.gz BNRNBWKKINSNCD-AWEZNQCLSA-N 1 0 345.447 2.815 20 5 EFBDRO Cc1ccc(NCCCNC(=O)c2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000237668810 242746208 /nfs/dbraw/zinc/74/62/08/242746208.db2.gz VEFXLQAKGDJAJH-UHFFFAOYSA-N 1 0 342.399 2.594 20 5 EFBDRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411689698 242925096 /nfs/dbraw/zinc/92/50/96/242925096.db2.gz GCVDKWOLUWHOOO-OAHLLOKOSA-N 1 0 337.420 2.964 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411737417 242946010 /nfs/dbraw/zinc/94/60/10/242946010.db2.gz PPJFANZHPBJRGM-RRQGHBQHSA-N 1 0 331.416 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412002873 243065209 /nfs/dbraw/zinc/06/52/09/243065209.db2.gz NSQUXULOQKJWPZ-UHFFFAOYSA-N 1 0 330.428 2.914 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412002932 243065391 /nfs/dbraw/zinc/06/53/91/243065391.db2.gz VLFMFIZCROUWIY-QGZVFWFLSA-N 1 0 342.399 2.645 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411947737 243039311 /nfs/dbraw/zinc/03/93/11/243039311.db2.gz MQPAFPIHPORMPB-PXAZEXFGSA-N 1 0 338.404 2.775 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411972699 243049437 /nfs/dbraw/zinc/04/94/37/243049437.db2.gz QIMQVONTLVVPHN-YVEFUNNKSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411972697 243050054 /nfs/dbraw/zinc/05/00/54/243050054.db2.gz QIMQVONTLVVPHN-SJCJKPOMSA-N 1 0 335.404 2.635 20 5 EFBDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000412032723 243080719 /nfs/dbraw/zinc/08/07/19/243080719.db2.gz REGDSTFKIQDPJD-CYBMUJFWSA-N 1 0 345.403 2.798 20 5 EFBDRO CC[N@@H+](Cc1occc1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412035340 243085614 /nfs/dbraw/zinc/08/56/14/243085614.db2.gz FTNGZVVIKOQTRD-HNNXBMFYSA-N 1 0 334.372 2.758 20 5 EFBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412042417 243092961 /nfs/dbraw/zinc/09/29/61/243092961.db2.gz VGJXRJYUXOYSGO-UKRRQHHQSA-N 1 0 338.452 2.689 20 5 EFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000412064114 243107889 /nfs/dbraw/zinc/10/78/89/243107889.db2.gz BTCSIAGKINJLLZ-UKRRQHHQSA-N 1 0 345.399 2.885 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000412060420 243109314 /nfs/dbraw/zinc/10/93/14/243109314.db2.gz ZUXGCUWAWKWVGR-INIZCTEOSA-N 1 0 331.416 2.880 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448796122 284052704 /nfs/dbraw/zinc/05/27/04/284052704.db2.gz QZFMJTNIYPAETN-SNVBAGLBSA-N 1 0 343.305 2.580 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412289651 243249490 /nfs/dbraw/zinc/24/94/90/243249490.db2.gz IAOQTSXYSHXROE-DLBZAZTESA-N 1 0 345.443 2.937 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)c2c(c1)COCO2 ZINC000066537317 202888320 /nfs/dbraw/zinc/88/83/20/202888320.db2.gz VNULHOMJFCRNLR-INIZCTEOSA-N 1 0 347.415 2.522 20 5 EFBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CO1 ZINC000069529314 203014483 /nfs/dbraw/zinc/01/44/83/203014483.db2.gz DELLLBGXXAMHPB-CHWSQXEVSA-N 1 0 331.372 2.902 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000069816821 203054158 /nfs/dbraw/zinc/05/41/58/203054158.db2.gz ZPYWTMRZRIIGEE-SJORKVTESA-N 1 0 349.431 2.857 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000069977860 203067554 /nfs/dbraw/zinc/06/75/54/203067554.db2.gz VVQWZFDVTHEQBE-KRWDZBQOSA-N 1 0 330.384 2.604 20 5 EFBDRO COCC[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195807 244040697 /nfs/dbraw/zinc/04/06/97/244040697.db2.gz JKUVCOLTUUWCQA-BBRMVZONSA-N 1 0 332.404 2.680 20 5 EFBDRO COC1([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414319054 244087263 /nfs/dbraw/zinc/08/72/63/244087263.db2.gz RACLGOXRPKFPMZ-OLZOCXBDSA-N 1 0 335.404 2.859 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000414479390 244188104 /nfs/dbraw/zinc/18/81/04/244188104.db2.gz HRAIBDYYWMWSJO-LLVKDONJSA-N 1 0 331.397 2.549 20 5 EFBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000414500068 244194605 /nfs/dbraw/zinc/19/46/05/244194605.db2.gz BKFTUSYRBCUOTJ-SWLSCSKDSA-N 1 0 336.417 2.740 20 5 EFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414503023 244197975 /nfs/dbraw/zinc/19/79/75/244197975.db2.gz VINWLZJZVZLLAV-AWEZNQCLSA-N 1 0 343.383 2.765 20 5 EFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414526164 244211728 /nfs/dbraw/zinc/21/17/28/244211728.db2.gz KRBGUTSOUFRYNX-FUHWJXTLSA-N 1 0 346.431 2.880 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414616572 244256621 /nfs/dbraw/zinc/25/66/21/244256621.db2.gz IGHVIXGAFGHVNK-LBPRGKRZSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000414622239 244258555 /nfs/dbraw/zinc/25/85/55/244258555.db2.gz SFPPDMDRWMOUBW-NSHDSACASA-N 1 0 342.359 2.876 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000414650747 244275556 /nfs/dbraw/zinc/27/55/56/244275556.db2.gz BLCXDDPXVDCBBH-DOTOQJQBSA-N 1 0 340.383 2.780 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC000414656469 244277650 /nfs/dbraw/zinc/27/76/50/244277650.db2.gz MYGDGODKYPWPSJ-UHFFFAOYSA-N 1 0 331.347 2.931 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414660948 244280637 /nfs/dbraw/zinc/28/06/37/244280637.db2.gz PBMVZGCOHXWCIA-ZIAGYGMSSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414666494 244281630 /nfs/dbraw/zinc/28/16/30/244281630.db2.gz WQVLKVROSCDOSS-CQSZACIVSA-N 1 0 332.404 2.757 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414662639 244282399 /nfs/dbraw/zinc/28/23/99/244282399.db2.gz ZLGBDFGUPPSPJY-AWEZNQCLSA-N 1 0 336.392 2.633 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072823528 203245966 /nfs/dbraw/zinc/24/59/66/203245966.db2.gz AWIFQWDJHFASPJ-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000072808699 203246556 /nfs/dbraw/zinc/24/65/56/203246556.db2.gz PTCQKBBGYCXLOP-KBPBESRZSA-N 1 0 335.404 2.914 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072858746 203249722 /nfs/dbraw/zinc/24/97/22/203249722.db2.gz UFOQQZYEQWCRBJ-GJZGRUSLSA-N 1 0 348.447 2.504 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000093434286 203252448 /nfs/dbraw/zinc/25/24/48/203252448.db2.gz DAALGEHSFHGELJ-RKDXNWHRSA-N 1 0 329.198 2.552 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072976079 203252958 /nfs/dbraw/zinc/25/29/58/203252958.db2.gz YFSNEJDVGXGVPD-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000072986913 203253072 /nfs/dbraw/zinc/25/30/72/203253072.db2.gz QYKKEDHXXHQUEJ-CYBMUJFWSA-N 1 0 339.461 2.847 20 5 EFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000073079974 203254993 /nfs/dbraw/zinc/25/49/93/203254993.db2.gz DWVYCOYQSLGNTB-UHFFFAOYSA-N 1 0 343.387 2.700 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000073052226 203255275 /nfs/dbraw/zinc/25/52/75/203255275.db2.gz MSBOPLRPGFAZEA-QGZVFWFLSA-N 1 0 345.399 2.659 20 5 EFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000361077867 284143196 /nfs/dbraw/zinc/14/31/96/284143196.db2.gz DEVNFJQXRKBFBD-UONOGXRCSA-N 1 0 345.424 2.927 20 5 EFBDRO COC[C@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]1 ZINC000414944181 244398465 /nfs/dbraw/zinc/39/84/65/244398465.db2.gz NRFOETPYGYCCBI-GOSISDBHSA-N 1 0 345.399 2.713 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414951821 244402615 /nfs/dbraw/zinc/40/26/15/244402615.db2.gz QEPLSUIRKOWYAJ-UHFFFAOYSA-N 1 0 346.334 2.835 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415662295 244444208 /nfs/dbraw/zinc/44/42/08/244444208.db2.gz RHFIQSMRHXGJLO-WCQYABFASA-N 1 0 336.392 2.585 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000075107027 203300971 /nfs/dbraw/zinc/30/09/71/203300971.db2.gz WIVHLAXSJBLVPE-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCOC1 ZINC000075105031 203301741 /nfs/dbraw/zinc/30/17/41/203301741.db2.gz UCNIGMZVYJKQCS-NEPJUHHUSA-N 1 0 332.360 2.674 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000075505663 203315696 /nfs/dbraw/zinc/31/56/96/203315696.db2.gz KMBSOHRZMOTLKA-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836289 203323236 /nfs/dbraw/zinc/32/32/36/203323236.db2.gz QZRJNLFKPSJFDX-INIZCTEOSA-N 1 0 333.432 2.781 20 5 EFBDRO COc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000076158103 203339528 /nfs/dbraw/zinc/33/95/28/203339528.db2.gz LXZDYISKAVKOED-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076387619 203352343 /nfs/dbraw/zinc/35/23/43/203352343.db2.gz ADIFQECKUAASQP-CQSZACIVSA-N 1 0 343.383 2.924 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077465983 203389690 /nfs/dbraw/zinc/38/96/90/203389690.db2.gz HHSNRQHYUQJZPQ-WMLDXEAASA-N 1 0 344.415 2.636 20 5 EFBDRO Cc1sc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261606891 244605782 /nfs/dbraw/zinc/60/57/82/244605782.db2.gz BINRNCFWAXBXEE-KGLIPLIRSA-N 1 0 345.424 2.779 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509178 203392724 /nfs/dbraw/zinc/39/27/24/203392724.db2.gz SLESVVSZXCBLBW-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO Cc1c(Br)c(N[C@H](C[NH3+])C2CCCC2)ncc1[N+](=O)[O-] ZINC000235851558 203489856 /nfs/dbraw/zinc/48/98/56/203489856.db2.gz VYOWHDGQSNSGTG-SNVBAGLBSA-N 1 0 343.225 2.990 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000262483133 244996420 /nfs/dbraw/zinc/99/64/20/244996420.db2.gz ZUDBMCISLSFQDU-QIIPPGSGSA-N 1 0 331.416 2.860 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000093614979 203700783 /nfs/dbraw/zinc/70/07/83/203700783.db2.gz ICFZEKSQFGYUMN-GXTWGEPZSA-N 1 0 341.358 2.865 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238813 245059098 /nfs/dbraw/zinc/05/90/98/245059098.db2.gz ZCVWKQSGZOSFOY-UHFFFAOYSA-N 1 0 348.447 2.688 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)C1CC1 ZINC000417390001 245077397 /nfs/dbraw/zinc/07/73/97/245077397.db2.gz QETDDBYLSPDFPN-LSDHHAIUSA-N 1 0 339.386 2.845 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417985207 245109803 /nfs/dbraw/zinc/10/98/03/245109803.db2.gz GTPOOJBUBKOMRZ-CYBMUJFWSA-N 1 0 342.827 2.607 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418121921 245112584 /nfs/dbraw/zinc/11/25/84/245112584.db2.gz JFEXONKATDNOEC-RWMBFGLXSA-N 1 0 336.388 2.623 20 5 EFBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418328780 245124113 /nfs/dbraw/zinc/12/41/13/245124113.db2.gz AXDQKTBANXDQCB-DZGCQCFKSA-N 1 0 346.431 2.657 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418345378 245130001 /nfs/dbraw/zinc/13/00/01/245130001.db2.gz PDTHTDHOLLBLGH-GOEBONIOSA-N 1 0 348.447 2.903 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000418359234 245134895 /nfs/dbraw/zinc/13/48/95/245134895.db2.gz ZSFIGEVVGGCAQV-STQMWFEESA-N 1 0 334.420 2.517 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000418359227 245135014 /nfs/dbraw/zinc/13/50/14/245135014.db2.gz ZSFIGEVVGGCAQV-CHWSQXEVSA-N 1 0 334.420 2.517 20 5 EFBDRO [NH3+]C1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000418391364 245142891 /nfs/dbraw/zinc/14/28/91/245142891.db2.gz UVWOJZRQCFGGCT-UHFFFAOYSA-N 1 0 332.404 2.539 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418425934 245153277 /nfs/dbraw/zinc/15/32/77/245153277.db2.gz KYCMGXNKFVIYCF-CQSZACIVSA-N 1 0 334.420 2.642 20 5 EFBDRO [NH3+]C1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000418392268 245143647 /nfs/dbraw/zinc/14/36/47/245143647.db2.gz VZAZHSTZTBBYMA-UHFFFAOYSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418426661 245153394 /nfs/dbraw/zinc/15/33/94/245153394.db2.gz NHAWEDFUEPYNMD-YOEHRIQHSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262745164 245157571 /nfs/dbraw/zinc/15/75/71/245157571.db2.gz FSOYJVUJEVOTDG-MNOVXSKESA-N 1 0 346.412 2.541 20 5 EFBDRO CC(C)(NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418560325 245195048 /nfs/dbraw/zinc/19/50/48/245195048.db2.gz YSHDZUNEIUXLAN-QGZVFWFLSA-N 1 0 334.420 2.519 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418572753 245198056 /nfs/dbraw/zinc/19/80/56/245198056.db2.gz SWZLULZGZGPNON-KBPBESRZSA-N 1 0 332.404 2.539 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418674402 245241017 /nfs/dbraw/zinc/24/10/17/245241017.db2.gz PIGLJULHUNWXBP-CYBMUJFWSA-N 1 0 334.420 2.786 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC000418629804 245218493 /nfs/dbraw/zinc/21/84/93/245218493.db2.gz WODSQWIMLZMMAE-QGZVFWFLSA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000418710157 245256854 /nfs/dbraw/zinc/25/68/54/245256854.db2.gz DUAOTVCYRMMBCB-QWHCGFSZSA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418796739 245295786 /nfs/dbraw/zinc/29/57/86/245295786.db2.gz UDEKSPWOOBJWAZ-FVQBIDKESA-N 1 0 346.431 2.611 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588357 204013115 /nfs/dbraw/zinc/01/31/15/204013115.db2.gz DBCUPOTXVIBPEU-ZDUSSCGKSA-N 1 0 346.383 2.653 20 5 EFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000101628932 204014333 /nfs/dbraw/zinc/01/43/33/204014333.db2.gz HVWZIKGCHDLTMS-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103453492 204080826 /nfs/dbraw/zinc/08/08/26/204080826.db2.gz KSWWHXYNYKQHBO-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000103614799 204085206 /nfs/dbraw/zinc/08/52/06/204085206.db2.gz UELGTSTXKWXTEL-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000104684127 204114632 /nfs/dbraw/zinc/11/46/32/204114632.db2.gz ZDVHMOLZDNNINC-CQSZACIVSA-N 1 0 349.431 2.573 20 5 EFBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419296579 245370776 /nfs/dbraw/zinc/37/07/76/245370776.db2.gz SDEQDZYKSSISAM-ZDUSSCGKSA-N 1 0 346.431 2.528 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000236953292 204159267 /nfs/dbraw/zinc/15/92/67/204159267.db2.gz SPHMHZXOTYCIAM-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177147 204136285 /nfs/dbraw/zinc/13/62/85/204136285.db2.gz JRCMINJQQJUEIO-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000105493149 204147177 /nfs/dbraw/zinc/14/71/77/204147177.db2.gz LZQNCOXDCAGBDW-QGZVFWFLSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106870085 204216178 /nfs/dbraw/zinc/21/61/78/204216178.db2.gz BNRVNMZBFMGPML-CQSZACIVSA-N 1 0 335.404 2.736 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107690662 204243059 /nfs/dbraw/zinc/24/30/59/204243059.db2.gz AZPRDWROJUIQHI-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109782449 204291642 /nfs/dbraw/zinc/29/16/42/204291642.db2.gz VXKZQWKGLYKZDO-GUYCJALGSA-N 1 0 346.383 2.733 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419371429 245391311 /nfs/dbraw/zinc/39/13/11/245391311.db2.gz KSIGGOPLVCBTAI-RWMBFGLXSA-N 1 0 335.404 2.908 20 5 EFBDRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419387424 245398772 /nfs/dbraw/zinc/39/87/72/245398772.db2.gz QXYJASMXFCYDQW-NSHDSACASA-N 1 0 343.811 2.934 20 5 EFBDRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419387422 245399962 /nfs/dbraw/zinc/39/99/62/245399962.db2.gz QXYJASMXFCYDQW-LLVKDONJSA-N 1 0 343.811 2.934 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415506772 284316067 /nfs/dbraw/zinc/31/60/67/284316067.db2.gz RYWNJSLPOMEKMU-BBRMVZONSA-N 1 0 332.404 2.981 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000125790974 205026545 /nfs/dbraw/zinc/02/65/45/205026545.db2.gz SVGLUUFRLAHZHL-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126456369 205057546 /nfs/dbraw/zinc/05/75/46/205057546.db2.gz PFYGWGHQRIWNNX-CRAIPNDOSA-N 1 0 343.427 2.613 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000127739270 205116158 /nfs/dbraw/zinc/11/61/58/205116158.db2.gz DROAGMCRHYZTDP-CYBMUJFWSA-N 1 0 346.383 2.825 20 5 EFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000128672090 205156279 /nfs/dbraw/zinc/15/62/79/205156279.db2.gz SYLIHKHDKAIUQF-GHMZBOCLSA-N 1 0 341.408 2.888 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128091883 205132790 /nfs/dbraw/zinc/13/27/90/205132790.db2.gz KURLDJYNVSXHCJ-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245855173 205160883 /nfs/dbraw/zinc/16/08/83/205160883.db2.gz DNJSBOYHFIEARY-BZNIZROVSA-N 1 0 332.360 2.553 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245855177 205160900 /nfs/dbraw/zinc/16/09/00/205160900.db2.gz DNJSBOYHFIEARY-ZBEGNZNMSA-N 1 0 332.360 2.553 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129840587 205213964 /nfs/dbraw/zinc/21/39/64/205213964.db2.gz YICDGLCBSHCINZ-SNVBAGLBSA-N 1 0 345.321 2.637 20 5 EFBDRO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000227535651 205197945 /nfs/dbraw/zinc/19/79/45/205197945.db2.gz OYSJMTAIBPDSPB-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000246823533 205235265 /nfs/dbraw/zinc/23/52/65/205235265.db2.gz ATKCSZCOMDKLNM-DLBZAZTESA-N 1 0 346.431 2.926 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000247031199 205254427 /nfs/dbraw/zinc/25/44/27/205254427.db2.gz MJOLBCWXQWBXRT-JKSUJKDBSA-N 1 0 332.404 2.536 20 5 EFBDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000131482618 205291431 /nfs/dbraw/zinc/29/14/31/205291431.db2.gz QARAUXAKOMOIGK-QGZVFWFLSA-N 1 0 349.456 2.726 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000131498618 205291720 /nfs/dbraw/zinc/29/17/20/205291720.db2.gz IYFZGPXTRPLXCQ-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO CCC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000131881138 205307107 /nfs/dbraw/zinc/30/71/07/205307107.db2.gz WVLOPIYBAUSOQW-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000420410825 245675763 /nfs/dbraw/zinc/67/57/63/245675763.db2.gz RMOOPQMTNVCCRT-GOSISDBHSA-N 1 0 327.384 2.620 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000133903691 205384019 /nfs/dbraw/zinc/38/40/19/205384019.db2.gz LURJALAPRWZXAV-LBPRGKRZSA-N 1 0 330.388 2.603 20 5 EFBDRO CCCN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000421351945 245938413 /nfs/dbraw/zinc/93/84/13/245938413.db2.gz NGRCQZPXKHAOKJ-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710678 246073900 /nfs/dbraw/zinc/07/39/00/246073900.db2.gz LVBALALEBUWPBN-NVXWUHKLSA-N 1 0 333.432 2.716 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155685708 206027844 /nfs/dbraw/zinc/02/78/44/206027844.db2.gz DOKIBMCYMYMEMP-BBRMVZONSA-N 1 0 349.456 2.630 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264152186 246114157 /nfs/dbraw/zinc/11/41/57/246114157.db2.gz ZQIOWYGWVMLNIX-AWEZNQCLSA-N 1 0 336.436 2.855 20 5 EFBDRO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1 ZINC000264181749 246147584 /nfs/dbraw/zinc/14/75/84/246147584.db2.gz BDTLZXVPVUIRMN-QWHCGFSZSA-N 1 0 330.388 2.664 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421864075 246142124 /nfs/dbraw/zinc/14/21/24/246142124.db2.gz XJHUWCITUACOKK-SUYBPPKGSA-N 1 0 331.416 2.854 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000156759880 206097970 /nfs/dbraw/zinc/09/79/70/206097970.db2.gz MZAQSBBAUPAWGY-UHFFFAOYSA-N 1 0 325.434 2.729 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000157204771 206123386 /nfs/dbraw/zinc/12/33/86/206123386.db2.gz ADOYLCFBNZVWFD-CZUORRHYSA-N 1 0 349.456 2.630 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157269625 206127621 /nfs/dbraw/zinc/12/76/21/206127621.db2.gz BQMFAUURPFTTKN-INIZCTEOSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000264281612 246288364 /nfs/dbraw/zinc/28/83/64/246288364.db2.gz IMDQGOZJEGUQRV-INIZCTEOSA-N 1 0 326.400 2.966 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158244120 206180065 /nfs/dbraw/zinc/18/00/65/206180065.db2.gz KXVJHYXQOAKOMS-MFKMUULPSA-N 1 0 345.321 2.799 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000159016811 206220562 /nfs/dbraw/zinc/22/05/62/206220562.db2.gz QLBWLWZICNVXRE-CJNGLKHVSA-N 1 0 330.388 2.883 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159010752 206221108 /nfs/dbraw/zinc/22/11/08/206221108.db2.gz WBTQXHSKUHDIMG-CJNGLKHVSA-N 1 0 330.388 2.883 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422848972 246486018 /nfs/dbraw/zinc/48/60/18/246486018.db2.gz BLKQHPXCQMCWMV-AWEZNQCLSA-N 1 0 345.852 2.830 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000159462033 206247519 /nfs/dbraw/zinc/24/75/19/206247519.db2.gz GJGFTIJHIBIJDU-CQSZACIVSA-N 1 0 336.436 2.946 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000422838209 246481687 /nfs/dbraw/zinc/48/16/87/246481687.db2.gz WOQBBGYYNKEVKB-AWEZNQCLSA-N 1 0 335.404 2.549 20 5 EFBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159749224 206260516 /nfs/dbraw/zinc/26/05/16/206260516.db2.gz MSIYEGPXXFDPHN-CQSZACIVSA-N 1 0 333.413 2.827 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1 ZINC000159749508 206260671 /nfs/dbraw/zinc/26/06/71/206260671.db2.gz RVGDNCXBRDFKDH-UHFFFAOYSA-N 1 0 335.791 2.932 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000423193859 246594643 /nfs/dbraw/zinc/59/46/43/246594643.db2.gz XGGKAXBOCPYBHC-GFCCVEGCSA-N 1 0 325.368 2.813 20 5 EFBDRO CCCC[C@H](C[NH3+])N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304462 246616046 /nfs/dbraw/zinc/61/60/46/246616046.db2.gz YWKSDNXNUXORTI-ZBFHGGJFSA-N 1 0 331.420 2.525 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132210 296226857 /nfs/dbraw/zinc/22/68/57/296226857.db2.gz OLRYCKAVKGJBST-AWEZNQCLSA-N 1 0 335.379 2.824 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264857555 246976321 /nfs/dbraw/zinc/97/63/21/246976321.db2.gz DCLNVYHXSRRXGE-UHFFFAOYSA-N 1 0 344.415 2.880 20 5 EFBDRO CCN(CCC[NH+](C)C)c1c(Br)cncc1[N+](=O)[O-] ZINC000425253071 247016939 /nfs/dbraw/zinc/01/69/39/247016939.db2.gz INTUASYQHYTNBK-UHFFFAOYSA-N 1 0 331.214 2.530 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160096320 206279108 /nfs/dbraw/zinc/27/91/08/206279108.db2.gz BFTLGYKFTMGEIE-UHFFFAOYSA-N 1 0 348.447 2.557 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000425502962 247111717 /nfs/dbraw/zinc/11/17/17/247111717.db2.gz HNQCSYAUAWPRMX-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000425415192 247078332 /nfs/dbraw/zinc/07/83/32/247078332.db2.gz FHTOENRNPISBRE-JTQLQIEISA-N 1 0 329.194 2.826 20 5 EFBDRO C[C@@H]1[C@H](C)N(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000425454862 247091260 /nfs/dbraw/zinc/09/12/60/247091260.db2.gz GYANVPRAJZIJHH-MNOVXSKESA-N 1 0 342.237 2.882 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265060222 247171006 /nfs/dbraw/zinc/17/10/06/247171006.db2.gz YMGSFTUANUUOAG-UHFFFAOYSA-N 1 0 338.795 2.950 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265139256 247239573 /nfs/dbraw/zinc/23/95/73/247239573.db2.gz BEHYGVPQWURFMA-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000265142199 247242892 /nfs/dbraw/zinc/24/28/92/247242892.db2.gz MDAAEDGMUHSVCW-SFHVURJKSA-N 1 0 330.384 2.991 20 5 EFBDRO C[C@H](CC1CCOCC1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959041 247216053 /nfs/dbraw/zinc/21/60/53/247216053.db2.gz IMABDGIUPYEOPP-CQSZACIVSA-N 1 0 336.436 2.881 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2ccnc2C1 ZINC000426079739 247233360 /nfs/dbraw/zinc/23/33/60/247233360.db2.gz OKUBIADBKYEKME-VIFPVBQESA-N 1 0 335.751 2.581 20 5 EFBDRO CC(C)[NH+](CCSCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000161058521 206324640 /nfs/dbraw/zinc/32/46/40/206324640.db2.gz FJPVOGOVPSDQSQ-UHFFFAOYSA-N 1 0 327.450 2.609 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000430619116 247815315 /nfs/dbraw/zinc/81/53/15/247815315.db2.gz ZEXYJGBGAPKCGN-CQSZACIVSA-N 1 0 339.823 2.685 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161696322 206364915 /nfs/dbraw/zinc/36/49/15/206364915.db2.gz PORKWVQUYKXURI-INIZCTEOSA-N 1 0 333.432 2.622 20 5 EFBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161776256 206370089 /nfs/dbraw/zinc/37/00/89/206370089.db2.gz MDZAHPFPYRGNNJ-CQSZACIVSA-N 1 0 333.432 2.865 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000162184025 206390262 /nfs/dbraw/zinc/39/02/62/206390262.db2.gz SJFBYDNHUHFQEN-ZWNOBZJWSA-N 1 0 343.811 2.572 20 5 EFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265993903 248006902 /nfs/dbraw/zinc/00/69/02/248006902.db2.gz MWEQJJMAXNUOIP-XJKSGUPXSA-N 1 0 331.416 2.568 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265995755 248008729 /nfs/dbraw/zinc/00/87/29/248008729.db2.gz MYCOCJMFNBZDFE-AWEZNQCLSA-N 1 0 333.432 2.673 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000433052362 248008949 /nfs/dbraw/zinc/00/89/49/248008949.db2.gz MASYLKGXBLQDCU-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000433202766 248028542 /nfs/dbraw/zinc/02/85/42/248028542.db2.gz TZLNHYSFJYATTB-GFCCVEGCSA-N 1 0 329.356 2.613 20 5 EFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433197236 248028596 /nfs/dbraw/zinc/02/85/96/248028596.db2.gz QRSXAWQCSQGNEN-HNNXBMFYSA-N 1 0 340.445 2.818 20 5 EFBDRO CCOc1cc(C[N@H+](CCO)[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433211231 248028970 /nfs/dbraw/zinc/02/89/70/248028970.db2.gz XEUPXBZJQVHJAS-AWEZNQCLSA-N 1 0 340.445 2.683 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266039080 248054861 /nfs/dbraw/zinc/05/48/61/248054861.db2.gz SJXUZPWPRHQBBA-OAHLLOKOSA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000266155299 248134695 /nfs/dbraw/zinc/13/46/95/248134695.db2.gz LSBOQGZWSIRUKW-HNNXBMFYSA-N 1 0 342.298 2.787 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266190716 248160576 /nfs/dbraw/zinc/16/05/76/248160576.db2.gz BUCJWIAYXCPNGS-UHFFFAOYSA-N 1 0 348.403 2.518 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000266296137 248231577 /nfs/dbraw/zinc/23/15/77/248231577.db2.gz XPEGYRIMOUFOPC-CYBMUJFWSA-N 1 0 335.404 2.516 20 5 EFBDRO Cc1ncsc1CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000435428433 248239054 /nfs/dbraw/zinc/23/90/54/248239054.db2.gz QXCHQWULKHLPAL-OAHLLOKOSA-N 1 0 346.456 2.971 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266235705 248194067 /nfs/dbraw/zinc/19/40/67/248194067.db2.gz VMVFVVOCNYVSBT-LSDHHAIUSA-N 1 0 336.436 2.847 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266396428 248281203 /nfs/dbraw/zinc/28/12/03/248281203.db2.gz KZUCAJSNWRUAQU-LBPRGKRZSA-N 1 0 339.823 2.591 20 5 EFBDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266433350 248298666 /nfs/dbraw/zinc/29/86/66/248298666.db2.gz LFIZEJYOIVJGLM-IAGOWNOFSA-N 1 0 346.431 2.919 20 5 EFBDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266433352 248298723 /nfs/dbraw/zinc/29/87/23/248298723.db2.gz LFIZEJYOIVJGLM-IRXDYDNUSA-N 1 0 346.431 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)cc1OC(F)F ZINC000266449603 248306578 /nfs/dbraw/zinc/30/65/78/248306578.db2.gz XDBFYMAMVNYUBJ-UHFFFAOYSA-N 1 0 333.360 2.657 20 5 EFBDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266557162 248359295 /nfs/dbraw/zinc/35/92/95/248359295.db2.gz WHUDDLUBPRSNOK-QGZVFWFLSA-N 1 0 346.431 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000266750500 248434787 /nfs/dbraw/zinc/43/47/87/248434787.db2.gz SLURPBLZNCBCBK-UHFFFAOYSA-N 1 0 349.431 2.685 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000441199980 250006424 /nfs/dbraw/zinc/00/64/24/250006424.db2.gz ITFHOFVVEPPLOQ-UHFFFAOYSA-N 1 0 325.368 2.930 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000093817733 218252056 /nfs/dbraw/zinc/25/20/56/218252056.db2.gz BHMZBAWNGXLEHV-KRWDZBQOSA-N 1 0 347.459 2.872 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000444613876 250316574 /nfs/dbraw/zinc/31/65/74/250316574.db2.gz YHTIHZKKBQGVMH-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444648767 250321549 /nfs/dbraw/zinc/32/15/49/250321549.db2.gz KIYVKPUCAKRSLG-CQSZACIVSA-N 1 0 343.431 2.635 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444671273 250325049 /nfs/dbraw/zinc/32/50/49/250325049.db2.gz FXOAHROWTZXQCQ-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444670021 250325222 /nfs/dbraw/zinc/32/52/22/250325222.db2.gz XREIPNVJAUCJDX-UHFFFAOYSA-N 1 0 334.376 2.683 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444668821 250325446 /nfs/dbraw/zinc/32/54/46/250325446.db2.gz ZREFKJHSYWDKFP-SJCJKPOMSA-N 1 0 346.387 2.683 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)C3CCCCC3)nc2c1 ZINC000444684595 250328853 /nfs/dbraw/zinc/32/88/53/250328853.db2.gz NGFHBRJIIVTKFI-CQSZACIVSA-N 1 0 332.404 2.892 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000446612001 250515487 /nfs/dbraw/zinc/51/54/87/250515487.db2.gz BJGNKVXPDGLBAH-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)o1 ZINC000447581507 250580799 /nfs/dbraw/zinc/58/07/99/250580799.db2.gz URUCCWRNFWVSIF-HUUCEWRRSA-N 1 0 333.392 2.712 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCOC3(CCC3)C2)n1 ZINC000447589788 250582277 /nfs/dbraw/zinc/58/22/77/250582277.db2.gz YYRUEIIWKYNSKD-RRFJBIMHSA-N 1 0 334.420 2.966 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000172072214 206785542 /nfs/dbraw/zinc/78/55/42/206785542.db2.gz OLTDOHFCUQTJTB-QGZVFWFLSA-N 1 0 334.372 2.732 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CCCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267158032 250783820 /nfs/dbraw/zinc/78/38/20/250783820.db2.gz FBALZNATEOJEHR-AWEZNQCLSA-N 1 0 332.429 2.981 20 5 EFBDRO CCc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000174112442 206987193 /nfs/dbraw/zinc/98/71/93/206987193.db2.gz FRHPDIWHWYSTNX-UHFFFAOYSA-N 1 0 331.416 2.761 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000174358112 207014776 /nfs/dbraw/zinc/01/47/76/207014776.db2.gz DTEFMOSDZXCHRJ-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000174623141 207038701 /nfs/dbraw/zinc/03/87/01/207038701.db2.gz YJXHBHAKJLDATQ-QWHCGFSZSA-N 1 0 335.429 2.625 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449267090 250975840 /nfs/dbraw/zinc/97/58/40/250975840.db2.gz YHIRSWTYMIBVOZ-XCRHUMRWSA-N 1 0 336.432 2.682 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174557720 207030622 /nfs/dbraw/zinc/03/06/22/207030622.db2.gz NWIFVPYMPWJBSQ-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174682539 207046122 /nfs/dbraw/zinc/04/61/22/207046122.db2.gz CVMUZAUOXOEORT-GUTXKFCHSA-N 1 0 349.456 2.771 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000449309716 250990333 /nfs/dbraw/zinc/99/03/33/250990333.db2.gz FEUUQFVJPRVPPF-KYJSFNMBSA-N 1 0 348.443 2.683 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387643 251006698 /nfs/dbraw/zinc/00/66/98/251006698.db2.gz MJJPEVCEFVFXTR-INIZCTEOSA-N 1 0 335.448 2.655 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1CN1CCOCC1 ZINC000174877896 207067449 /nfs/dbraw/zinc/06/74/49/207067449.db2.gz GEZJTFNDKYHRAF-HNNXBMFYSA-N 1 0 339.823 2.545 20 5 EFBDRO CCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCC1 ZINC000449424584 251020739 /nfs/dbraw/zinc/02/07/39/251020739.db2.gz KBXKMJPFRBSRJS-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449453184 251030758 /nfs/dbraw/zinc/03/07/58/251030758.db2.gz HMIHXJNTLJSUFS-FZKQIMNGSA-N 1 0 346.383 2.996 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000174976266 207078700 /nfs/dbraw/zinc/07/87/00/207078700.db2.gz JGGMGLDCJAQDRF-UETGSQEOSA-N 1 0 329.400 2.693 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000449503069 251045777 /nfs/dbraw/zinc/04/57/77/251045777.db2.gz XHNIWXKDHDWMQR-BLLLJJGKSA-N 1 0 336.388 2.708 20 5 EFBDRO CO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449503766 251045877 /nfs/dbraw/zinc/04/58/77/251045877.db2.gz PWYSGEURZSYZCN-DYVFJYSZSA-N 1 0 344.415 2.852 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000449499548 251045894 /nfs/dbraw/zinc/04/58/94/251045894.db2.gz TYXYEVTWWHLBCD-SWLSCSKDSA-N 1 0 338.404 2.859 20 5 EFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445362 251062142 /nfs/dbraw/zinc/06/21/42/251062142.db2.gz PYESYUNBOHTNTN-BXKDBHETSA-N 1 0 333.310 2.703 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CO)CC(C)(C)C ZINC000449581544 251073574 /nfs/dbraw/zinc/07/35/74/251073574.db2.gz ATPIPGYQFRICMV-OAHLLOKOSA-N 1 0 338.404 2.690 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449594936 251076412 /nfs/dbraw/zinc/07/64/12/251076412.db2.gz RUQHYSWJCVZTRB-SIIHOXLZSA-N 1 0 344.415 2.769 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCCC2=O)CC1 ZINC000175183182 207101775 /nfs/dbraw/zinc/10/17/75/207101775.db2.gz KJTGKOCNHVMJAX-UHFFFAOYSA-N 1 0 347.415 2.580 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@H]1CCOC1 ZINC000449684861 251115748 /nfs/dbraw/zinc/11/57/48/251115748.db2.gz QLCPTERJOZWSPQ-KGLIPLIRSA-N 1 0 335.404 2.718 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175441725 207127591 /nfs/dbraw/zinc/12/75/91/207127591.db2.gz DGVJEQQJRWNEJN-GHMZBOCLSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)C3CCC3)cs2)c1 ZINC000449738315 251134795 /nfs/dbraw/zinc/13/47/95/251134795.db2.gz BACDBLADKLEIBT-HNNXBMFYSA-N 1 0 333.413 2.969 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000449768031 251149515 /nfs/dbraw/zinc/14/95/15/251149515.db2.gz FJJXQXBUNDDWIE-GOEBONIOSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000175844499 207166478 /nfs/dbraw/zinc/16/64/78/207166478.db2.gz VZIPZPCNQFCOTN-KGLIPLIRSA-N 1 0 346.431 2.748 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)nc2c1 ZINC000267625473 251202020 /nfs/dbraw/zinc/20/20/20/251202020.db2.gz RLRBPCATVFRGCF-LLVKDONJSA-N 1 0 327.344 2.839 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)nc2c1 ZINC000267625477 251202784 /nfs/dbraw/zinc/20/27/84/251202784.db2.gz RLRBPCATVFRGCF-NSHDSACASA-N 1 0 327.344 2.839 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175905839 207172075 /nfs/dbraw/zinc/17/20/75/207172075.db2.gz MLNJVDCKQOEYDJ-ZFWWWQNUSA-N 1 0 348.447 2.995 20 5 EFBDRO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000449941215 251207810 /nfs/dbraw/zinc/20/78/10/251207810.db2.gz VBRSGUQESQMXEK-ZDUSSCGKSA-N 1 0 349.431 2.650 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176127750 207193602 /nfs/dbraw/zinc/19/36/02/207193602.db2.gz WXUQZWAFBZCZIG-CQSZACIVSA-N 1 0 348.447 2.995 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000176245169 207207271 /nfs/dbraw/zinc/20/72/71/207207271.db2.gz MHIGNPLKCZWCOB-CQSZACIVSA-N 1 0 346.387 2.646 20 5 EFBDRO CC[C@H](CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000450256642 251319598 /nfs/dbraw/zinc/31/95/98/251319598.db2.gz HZGLCMWPOJMHTR-CQSZACIVSA-N 1 0 335.404 2.597 20 5 EFBDRO Cc1nc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450273276 251323818 /nfs/dbraw/zinc/32/38/18/251323818.db2.gz GEEUHHFPKUUHDI-ZFWWWQNUSA-N 1 0 327.388 2.941 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176285154 207210551 /nfs/dbraw/zinc/21/05/51/207210551.db2.gz QCUNWKXGSZVGCI-AWEZNQCLSA-N 1 0 349.431 2.625 20 5 EFBDRO Cc1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000450294318 251333304 /nfs/dbraw/zinc/33/33/04/251333304.db2.gz MNZKKIVVUYWXNI-OAHLLOKOSA-N 1 0 333.436 2.642 20 5 EFBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])c(C)n3)CCCC2)CC1 ZINC000450325255 251346232 /nfs/dbraw/zinc/34/62/32/251346232.db2.gz SYLLRWOMEZXMKV-UHFFFAOYSA-N 1 0 349.435 2.529 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450337382 251350699 /nfs/dbraw/zinc/35/06/99/251350699.db2.gz ULPLTQRTYSQXOB-CQSZACIVSA-N 1 0 335.404 2.597 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000450417527 251378743 /nfs/dbraw/zinc/37/87/43/251378743.db2.gz JNHFEGBQOZVJQJ-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000176720422 207253289 /nfs/dbraw/zinc/25/32/89/207253289.db2.gz YTAUULFGDGJPEX-CABCVRRESA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176747151 207256608 /nfs/dbraw/zinc/25/66/08/207256608.db2.gz QMWWKMDNSQPQRU-UKRRQHHQSA-N 1 0 334.420 2.700 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177159251 207300095 /nfs/dbraw/zinc/30/00/95/207300095.db2.gz AYZYIXVBBIJQOT-GHMZBOCLSA-N 1 0 335.429 2.672 20 5 EFBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451627235 251630164 /nfs/dbraw/zinc/63/01/64/251630164.db2.gz BEHRQCXPZJCWME-HUUCEWRRSA-N 1 0 331.372 2.949 20 5 EFBDRO COc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000177425044 207334257 /nfs/dbraw/zinc/33/42/57/207334257.db2.gz JFZAVOWCVFFXCE-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CC1(C)COC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451815314 251698592 /nfs/dbraw/zinc/69/85/92/251698592.db2.gz WCPWCCIONQTWLH-HNNXBMFYSA-N 1 0 331.372 2.807 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000177507740 207345229 /nfs/dbraw/zinc/34/52/29/207345229.db2.gz XSOYGRLNTZDDBB-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000177432754 207335542 /nfs/dbraw/zinc/33/55/42/207335542.db2.gz MRTDMMLIGDJWJR-UHFFFAOYSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000177496758 207343166 /nfs/dbraw/zinc/34/31/66/207343166.db2.gz JMRYJUSBOZDWLJ-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000452034293 251760709 /nfs/dbraw/zinc/76/07/09/251760709.db2.gz JVWURZLFKIPWJP-HZPDHXFCSA-N 1 0 335.404 2.861 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177685041 207376041 /nfs/dbraw/zinc/37/60/41/207376041.db2.gz QADJRDUZPFNGCM-OAHLLOKOSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1nc(N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000268535196 252003326 /nfs/dbraw/zinc/00/33/26/252003326.db2.gz XYUJMMUUIJYNGY-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453330560 252034619 /nfs/dbraw/zinc/03/46/19/252034619.db2.gz DRKMLVPXDUCTIV-RVSPLBMKSA-N 1 0 330.388 2.899 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000453430118 252035589 /nfs/dbraw/zinc/03/55/89/252035589.db2.gz QJPJDKBJDBWRMM-CQSZACIVSA-N 1 0 342.399 2.848 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000453452444 252040224 /nfs/dbraw/zinc/04/02/24/252040224.db2.gz SGXWNFHEOIVZDG-BMFZPTHFSA-N 1 0 331.416 2.659 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C(C)C ZINC000453035441 252021794 /nfs/dbraw/zinc/02/17/94/252021794.db2.gz KFMPRWHPNVXDPS-RLFYNMQTSA-N 1 0 336.432 2.947 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccc(O)cc1 ZINC000268821424 252270986 /nfs/dbraw/zinc/27/09/86/252270986.db2.gz SELUGKWXBANGIZ-ZDUSSCGKSA-N 1 0 343.383 2.850 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268853583 252301935 /nfs/dbraw/zinc/30/19/35/252301935.db2.gz QIBKITBDHMNJSG-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426064 207776375 /nfs/dbraw/zinc/77/63/75/207776375.db2.gz KJUQWLHOMLAVRD-BDJLRTHQSA-N 1 0 331.328 2.887 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180696867 207824229 /nfs/dbraw/zinc/82/42/29/207824229.db2.gz BQUYZRYATJIBDD-STQMWFEESA-N 1 0 348.447 2.663 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@H]2C[NH+]2CCCCC2)nc2sccn21 ZINC000160447114 285077779 /nfs/dbraw/zinc/07/77/79/285077779.db2.gz WVPXJIANIZOPKW-LBPRGKRZSA-N 1 0 335.433 2.759 20 5 EFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CCC[NH3+] ZINC000340133061 299567834 /nfs/dbraw/zinc/56/78/34/299567834.db2.gz DVTPRMXKJATBSG-JTQLQIEISA-N 1 0 343.811 2.649 20 5 EFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131057314 533084510 /nfs/dbraw/zinc/08/45/10/533084510.db2.gz VFSAHLYBZYYSCW-XIKOKIGWSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187222230 533094331 /nfs/dbraw/zinc/09/43/31/533094331.db2.gz DZSUFKHDJRWQMB-KUHUBIRLSA-N 1 0 341.411 2.945 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CCC2 ZINC000373206772 285145091 /nfs/dbraw/zinc/14/50/91/285145091.db2.gz UZXSONWOOLMTAD-ZTFGCOKTSA-N 1 0 332.400 2.900 20 5 EFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000112700247 220377785 /nfs/dbraw/zinc/37/77/85/220377785.db2.gz FRRWSAFYPOCYEC-HNNXBMFYSA-N 1 0 333.432 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339758581 285154308 /nfs/dbraw/zinc/15/43/08/285154308.db2.gz MDXHFKQEXBENQF-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC2(C1)CC[NH2+]CC2 ZINC000420228619 285170838 /nfs/dbraw/zinc/17/08/38/285170838.db2.gz RQMKQXBRKSARIH-UHFFFAOYSA-N 1 0 330.310 2.589 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153221607 533137875 /nfs/dbraw/zinc/13/78/75/533137875.db2.gz WNAQGRCUPZTROK-STQMWFEESA-N 1 0 333.388 2.664 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000117106942 221030853 /nfs/dbraw/zinc/03/08/53/221030853.db2.gz ONHUGUUEEPRGAZ-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CO[C@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462820571 255974295 /nfs/dbraw/zinc/97/42/95/255974295.db2.gz OKBLXGSYYMNFQK-SJKOYZFVSA-N 1 0 335.404 2.717 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000468650442 256017943 /nfs/dbraw/zinc/01/79/43/256017943.db2.gz HFHHBGKEWBBMSE-HVRVZBDQSA-N 1 0 347.459 2.945 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000468655538 256018050 /nfs/dbraw/zinc/01/80/50/256018050.db2.gz MBBIQJGEEIQTMH-SDNWHVSQSA-N 1 0 343.427 2.989 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000468746277 256018363 /nfs/dbraw/zinc/01/83/63/256018363.db2.gz FZUTVWHCBRWHQD-NRUITVPNSA-N 1 0 331.416 2.987 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000119247286 221276216 /nfs/dbraw/zinc/27/62/16/221276216.db2.gz DBVDDQMJXQPIEP-IJLUTSLNSA-N 1 0 349.387 2.676 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000119408725 221313476 /nfs/dbraw/zinc/31/34/76/221313476.db2.gz AEZNMILWYGSKCZ-WBVHZDCISA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183614287 533225406 /nfs/dbraw/zinc/22/54/06/533225406.db2.gz DRAOHVANCNTHQV-OLZOCXBDSA-N 1 0 347.419 2.764 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181675183 533292027 /nfs/dbraw/zinc/29/20/27/533292027.db2.gz KCBQLKQTMIDOJK-HIFRSBDPSA-N 1 0 331.416 2.978 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000344827229 533385159 /nfs/dbraw/zinc/38/51/59/533385159.db2.gz ZDYKKAFTYDVTHO-RCBBPTIPSA-N 1 0 338.429 2.555 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1Cl ZINC000183777016 533407411 /nfs/dbraw/zinc/40/74/11/533407411.db2.gz BLDGPRYKHAARCL-SNVBAGLBSA-N 1 0 339.754 2.900 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cnnc1C1CC1 ZINC000344836707 533408780 /nfs/dbraw/zinc/40/87/80/533408780.db2.gz WRMOGBDHMYSWKH-UKTHLTGXSA-N 1 0 327.388 2.757 20 5 EFBDRO COc1c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1C ZINC000162386748 141370383 /nfs/dbraw/zinc/37/03/83/141370383.db2.gz ONUJLTYKGJOJOT-MRXNPFEDSA-N 1 0 344.415 2.756 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000344446721 142018266 /nfs/dbraw/zinc/01/82/66/142018266.db2.gz KNJAHXIKJCGJJL-TXEJJXNPSA-N 1 0 339.823 2.732 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000344651232 142055814 /nfs/dbraw/zinc/05/58/14/142055814.db2.gz ZGSQIMCUXQKUHG-INIZCTEOSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663662 142057714 /nfs/dbraw/zinc/05/77/14/142057714.db2.gz IBSUTMMRLBAVKB-JQWIXIFHSA-N 1 0 329.347 2.769 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000344907942 142096151 /nfs/dbraw/zinc/09/61/51/142096151.db2.gz XWCICNZUVXTQQP-IMMZDGJCSA-N 1 0 332.400 2.926 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000344932794 142099684 /nfs/dbraw/zinc/09/96/84/142099684.db2.gz DWFKMTAXKXEOGS-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345907683 142116243 /nfs/dbraw/zinc/11/62/43/142116243.db2.gz OENCTROGRZMJEF-CHWSQXEVSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345931590 142119576 /nfs/dbraw/zinc/11/95/76/142119576.db2.gz WZJCKIDKTUULPD-NEPJUHHUSA-N 1 0 337.445 2.871 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345960502 142124528 /nfs/dbraw/zinc/12/45/28/142124528.db2.gz NZBPNZXVRMLYSU-CHWSQXEVSA-N 1 0 337.445 2.628 20 5 EFBDRO Cc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346136841 142153154 /nfs/dbraw/zinc/15/31/54/142153154.db2.gz LRTYMUBYZNJCBH-PBFPGSCMSA-N 1 0 331.416 2.706 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346187831 142164177 /nfs/dbraw/zinc/16/41/77/142164177.db2.gz OISSCBWYDDTKEQ-HWWQOWPSSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346190452 142164702 /nfs/dbraw/zinc/16/47/02/142164702.db2.gz PAKZUDUFGMJTAG-DXCKQFNASA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1c(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000346246717 142175953 /nfs/dbraw/zinc/17/59/53/142175953.db2.gz MPPVHTBAINASKL-CZUORRHYSA-N 1 0 346.431 2.671 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cs2)c1 ZINC000346323128 142189378 /nfs/dbraw/zinc/18/93/78/142189378.db2.gz FNRCNUYNKCUFBI-MAZHCROVSA-N 1 0 345.424 2.921 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000346345220 142192635 /nfs/dbraw/zinc/19/26/35/142192635.db2.gz HLWPNQOKQSHPKX-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000346354144 142193679 /nfs/dbraw/zinc/19/36/79/142193679.db2.gz QWWNNLLTCVUJJC-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000346459589 142208144 /nfs/dbraw/zinc/20/81/44/142208144.db2.gz IBTSBFNVSBVZPH-HNNXBMFYSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347434418 142215843 /nfs/dbraw/zinc/21/58/43/142215843.db2.gz JJXBCUXIYLZQDB-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347545028 142233816 /nfs/dbraw/zinc/23/38/16/142233816.db2.gz UHHKHZIFRKTTGS-GFCCVEGCSA-N 1 0 344.371 2.596 20 5 EFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568374 142237510 /nfs/dbraw/zinc/23/75/10/142237510.db2.gz VDWROYFCXNXDEE-RYUDHWBXSA-N 1 0 344.371 2.676 20 5 EFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000347631076 142247732 /nfs/dbraw/zinc/24/77/32/142247732.db2.gz PCSHWNCBHSEYFD-CYBMUJFWSA-N 1 0 339.823 2.986 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347687121 142256892 /nfs/dbraw/zinc/25/68/92/142256892.db2.gz TUYAZLIQDLKODN-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000347758523 142267786 /nfs/dbraw/zinc/26/77/86/142267786.db2.gz VUFVUOAKUOFZTP-UHFFFAOYSA-N 1 0 345.428 2.872 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000347822598 142276770 /nfs/dbraw/zinc/27/67/70/142276770.db2.gz GXONSZXHWBRWEG-GDBMZVCRSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@H](CCNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCCCC1 ZINC000347850141 142281924 /nfs/dbraw/zinc/28/19/24/142281924.db2.gz FHFVFWJENQJCHR-CYBMUJFWSA-N 1 0 329.404 2.636 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000347934070 142295455 /nfs/dbraw/zinc/29/54/55/142295455.db2.gz BUVYATGLYUGEMU-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347952906 142298777 /nfs/dbraw/zinc/29/87/77/142298777.db2.gz NNUHUOHNWKPSEW-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660568 142344212 /nfs/dbraw/zinc/34/42/12/142344212.db2.gz CNPXUGPNXDHHLF-UONOGXRCSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000349802066 142361519 /nfs/dbraw/zinc/36/15/19/142361519.db2.gz HOLZVSRSGTVRGP-LBPRGKRZSA-N 1 0 343.387 2.945 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000349994600 142388145 /nfs/dbraw/zinc/38/81/45/142388145.db2.gz VLAAKQKYOLNBHA-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000337683434 143783023 /nfs/dbraw/zinc/78/30/23/143783023.db2.gz OMNXMJVRXMQVGX-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338216062 144627700 /nfs/dbraw/zinc/62/77/00/144627700.db2.gz WZSUTKHIWZUQEZ-CRAIPNDOSA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341205069 145012158 /nfs/dbraw/zinc/01/21/58/145012158.db2.gz QKRJYXHMLNRHEQ-GOEBONIOSA-N 1 0 348.447 2.998 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000341211321 145014418 /nfs/dbraw/zinc/01/44/18/145014418.db2.gz JFJGNQXIMORWNR-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341225547 145016501 /nfs/dbraw/zinc/01/65/01/145016501.db2.gz ZVXFMCNBUCCGJD-INIZCTEOSA-N 1 0 343.383 2.555 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000342127497 145066972 /nfs/dbraw/zinc/06/69/72/145066972.db2.gz KTRQIWCHEBYCCU-KGLIPLIRSA-N 1 0 333.432 2.861 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342136718 145068921 /nfs/dbraw/zinc/06/89/21/145068921.db2.gz RFUIILDXEBCTJU-YVEFUNNKSA-N 1 0 336.363 2.899 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000342263964 145089912 /nfs/dbraw/zinc/08/99/12/145089912.db2.gz NBKOTOWYBLAPGO-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000342321059 145100178 /nfs/dbraw/zinc/10/01/78/145100178.db2.gz GNHSXGZAFZAJIN-ZDUSSCGKSA-N 1 0 340.445 2.769 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000342345379 145105204 /nfs/dbraw/zinc/10/52/04/145105204.db2.gz GQISZGCTELNIGD-WDEREUQCSA-N 1 0 335.433 2.909 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342361292 145108581 /nfs/dbraw/zinc/10/85/81/145108581.db2.gz SQMICFZXYADXBG-BXKDBHETSA-N 1 0 326.784 2.852 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000342422566 145122170 /nfs/dbraw/zinc/12/21/70/145122170.db2.gz QKOCRUZQUDRIHE-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000342785374 145192128 /nfs/dbraw/zinc/19/21/28/145192128.db2.gz USHJMWIVGPNCOG-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000342788653 145193920 /nfs/dbraw/zinc/19/39/20/145193920.db2.gz PFGAWAJYPPZGJD-MRXNPFEDSA-N 1 0 343.431 2.819 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000342801403 145196615 /nfs/dbraw/zinc/19/66/15/145196615.db2.gz CXOGGGITOJIVTJ-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000343556278 145236993 /nfs/dbraw/zinc/23/69/93/145236993.db2.gz SAZLYFOORBDZNH-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC000343558107 145238039 /nfs/dbraw/zinc/23/80/39/145238039.db2.gz SHYPSNOWUJLZGV-OAHLLOKOSA-N 1 0 334.416 2.991 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000343567079 145239933 /nfs/dbraw/zinc/23/99/33/145239933.db2.gz VPERCANMMKJSNE-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC[N@@H+]1C ZINC000343610182 145252055 /nfs/dbraw/zinc/25/20/55/145252055.db2.gz STSKYMHKJUPXOF-BBRMVZONSA-N 1 0 346.431 2.725 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000343638836 145258949 /nfs/dbraw/zinc/25/89/49/145258949.db2.gz ZZQLCTZYAXWIAI-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1Cc1ccccc1 ZINC000343644308 145260603 /nfs/dbraw/zinc/26/06/03/145260603.db2.gz FFRSEZGTAZQMRK-CQSZACIVSA-N 1 0 344.390 2.679 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343695061 145272886 /nfs/dbraw/zinc/27/28/86/145272886.db2.gz BMGKZXISNMVZQG-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO CSc1cccc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000343744177 145284553 /nfs/dbraw/zinc/28/45/53/145284553.db2.gz AQGHGWPZHKRYEN-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000343906085 145321132 /nfs/dbraw/zinc/32/11/32/145321132.db2.gz LFVKIMQKALSZGE-UHFFFAOYSA-N 1 0 347.293 2.777 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000343972110 145336333 /nfs/dbraw/zinc/33/63/33/145336333.db2.gz FWYLTYGFQNODJX-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344058559 145357889 /nfs/dbraw/zinc/35/78/89/145357889.db2.gz KZAWXHFEFLZBOK-HNNXBMFYSA-N 1 0 329.400 2.606 20 5 EFBDRO CC(=O)NC1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344139784 145377428 /nfs/dbraw/zinc/37/74/28/145377428.db2.gz JMSLGBRULKBRRS-UHFFFAOYSA-N 1 0 349.431 2.743 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000344189380 145388404 /nfs/dbraw/zinc/38/84/04/145388404.db2.gz MPBZOLLTUJFNEX-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000344209944 145393486 /nfs/dbraw/zinc/39/34/86/145393486.db2.gz KBROGVVUOBLIFR-YVEFUNNKSA-N 1 0 337.395 2.974 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345523534 145557932 /nfs/dbraw/zinc/55/79/32/145557932.db2.gz FJEVIUXIIOBLCI-ZDUSSCGKSA-N 1 0 344.415 2.993 20 5 EFBDRO Cc1ccc2ncc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])n2c1 ZINC000348898164 146021543 /nfs/dbraw/zinc/02/15/43/146021543.db2.gz XDNBFAQXEURMFM-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO CC(=O)Nc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348898094 146021742 /nfs/dbraw/zinc/02/17/42/146021742.db2.gz WOJCQXVRLQTSKE-UHFFFAOYSA-N 1 0 328.372 2.519 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000351502206 146132065 /nfs/dbraw/zinc/13/20/65/146132065.db2.gz KSBLPDDUIIHIFG-AWEZNQCLSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351630706 146163853 /nfs/dbraw/zinc/16/38/53/146163853.db2.gz QNSKJSAEGJMUPB-CQSZACIVSA-N 1 0 339.823 2.781 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744751 146193384 /nfs/dbraw/zinc/19/33/84/146193384.db2.gz XCIHQYYXDXASGC-XHDPSFHLSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351831070 146213256 /nfs/dbraw/zinc/21/32/56/146213256.db2.gz VFYQVXBIQAAFKV-ZYHUDNBSSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000352028844 146269642 /nfs/dbraw/zinc/26/96/42/146269642.db2.gz RXSZADYGBKQMJU-LLVKDONJSA-N 1 0 327.331 2.901 20 5 EFBDRO CC(C)[NH+](CCN(C)c1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC000355577295 147001781 /nfs/dbraw/zinc/00/17/81/147001781.db2.gz PEFVRYIIMHRTJF-UHFFFAOYSA-N 1 0 325.438 2.859 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000355733481 147047515 /nfs/dbraw/zinc/04/75/15/147047515.db2.gz LIACYVPWLTVTDT-UHFFFAOYSA-N 1 0 348.399 2.767 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355870818 147087402 /nfs/dbraw/zinc/08/74/02/147087402.db2.gz FFSQWZOMEJQISW-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000356300340 147205026 /nfs/dbraw/zinc/20/50/26/147205026.db2.gz XCLREEPULYMLEV-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000356843008 147352225 /nfs/dbraw/zinc/35/22/25/147352225.db2.gz ZXSXUWAYKUGPHM-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000357174691 147447200 /nfs/dbraw/zinc/44/72/00/147447200.db2.gz NCGAKCLXOXJAGS-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCC1(SC)CC[NH+](C)CC1 ZINC000357587834 147565815 /nfs/dbraw/zinc/56/58/15/147565815.db2.gz VWVAVDSXMYKMKW-UHFFFAOYSA-N 1 0 339.461 2.981 20 5 EFBDRO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000359145398 148007617 /nfs/dbraw/zinc/00/76/17/148007617.db2.gz UYEXPUYCGXWFDQ-OAHLLOKOSA-N 1 0 333.432 2.860 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000359194352 148020071 /nfs/dbraw/zinc/02/00/71/148020071.db2.gz RYEFWLVDGXJIQJ-GJZGRUSLSA-N 1 0 334.420 2.575 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000359234027 148031467 /nfs/dbraw/zinc/03/14/67/148031467.db2.gz KNAQQYZGHFIMRR-TZMCWYRMSA-N 1 0 337.445 2.676 20 5 EFBDRO CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000359386966 148072529 /nfs/dbraw/zinc/07/25/29/148072529.db2.gz DFCKUJLWTCJDDL-KYJSFNMBSA-N 1 0 334.416 2.701 20 5 EFBDRO CCC(=O)c1ccc(NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000359485087 148098106 /nfs/dbraw/zinc/09/81/06/148098106.db2.gz SDYIGMCKHOBHEZ-HNNXBMFYSA-N 1 0 349.431 2.692 20 5 EFBDRO CCC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000359485090 148098245 /nfs/dbraw/zinc/09/82/45/148098245.db2.gz SDYIGMCKHOBHEZ-OAHLLOKOSA-N 1 0 349.431 2.692 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000359620666 148142078 /nfs/dbraw/zinc/14/20/78/148142078.db2.gz ZFGZQYRZZSSDDC-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000359654529 148152679 /nfs/dbraw/zinc/15/26/79/148152679.db2.gz SHUGZDTVHOUFDI-QGZVFWFLSA-N 1 0 332.356 2.750 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359800508 148192596 /nfs/dbraw/zinc/19/25/96/148192596.db2.gz VSOFKBUQLZJSDJ-UHFFFAOYSA-N 1 0 334.420 2.794 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000359832155 148201494 /nfs/dbraw/zinc/20/14/94/148201494.db2.gz LJGJLLKFSJBKIZ-RDTXWAMCSA-N 1 0 339.395 2.988 20 5 EFBDRO CC[NH+](CC)CCCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000359876067 148213123 /nfs/dbraw/zinc/21/31/23/148213123.db2.gz OXEPSPZGUYDFRH-UHFFFAOYSA-N 1 0 337.468 2.662 20 5 EFBDRO Cc1cnc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359898495 148218002 /nfs/dbraw/zinc/21/80/02/148218002.db2.gz KCADUAMBAYZTRG-IRXDYDNUSA-N 1 0 338.411 2.866 20 5 EFBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360047094 148260487 /nfs/dbraw/zinc/26/04/87/148260487.db2.gz JOWZIQDQOWQWRY-UHFFFAOYSA-N 1 0 325.384 2.589 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000360200390 148297136 /nfs/dbraw/zinc/29/71/36/148297136.db2.gz RDEDECWGPAVTMM-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360316476 148329258 /nfs/dbraw/zinc/32/92/58/148329258.db2.gz LKKPHEDHUQBCTB-ZDUSSCGKSA-N 1 0 349.431 2.730 20 5 EFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361220031 148574455 /nfs/dbraw/zinc/57/44/55/148574455.db2.gz HZIIXBUFSNOMQP-UHFFFAOYSA-N 1 0 335.379 2.871 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cccc(F)c3F)CC2)n1 ZINC000364202447 149091349 /nfs/dbraw/zinc/09/13/49/149091349.db2.gz KEEPHLWDKRRARH-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000364304442 149119462 /nfs/dbraw/zinc/11/94/62/149119462.db2.gz KJBIMOUEKJSOMY-UWWQBHOKSA-N 1 0 334.416 2.844 20 5 EFBDRO CCc1nn(C)c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364901234 149270867 /nfs/dbraw/zinc/27/08/67/149270867.db2.gz RZCHTZMOSPBVPE-OAHLLOKOSA-N 1 0 343.431 2.601 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000365117567 149321518 /nfs/dbraw/zinc/32/15/18/149321518.db2.gz QICKRYPKOYHWID-UHFFFAOYSA-N 1 0 328.372 2.563 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000367599973 149910810 /nfs/dbraw/zinc/91/08/10/149910810.db2.gz YQHAHIDMBVGHHE-KBAYOESNSA-N 1 0 344.415 2.732 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000367615392 149915534 /nfs/dbraw/zinc/91/55/34/149915534.db2.gz KLSFUMJEGXKPOC-BRWVUGGUSA-N 1 0 344.415 2.732 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368654801 150172731 /nfs/dbraw/zinc/17/27/31/150172731.db2.gz CPYDFHMMEQMDPG-CYBMUJFWSA-N 1 0 336.388 2.710 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000368659496 150174220 /nfs/dbraw/zinc/17/42/20/150174220.db2.gz OLJDWGSLXCTRRN-CYBMUJFWSA-N 1 0 338.404 2.861 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000368694359 150184104 /nfs/dbraw/zinc/18/41/04/150184104.db2.gz YSYWFIPHKCMXEC-DOTOQJQBSA-N 1 0 347.415 2.813 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368703074 150186754 /nfs/dbraw/zinc/18/67/54/150186754.db2.gz DJYMEDHMUNMZOS-QPJJXVBHSA-N 1 0 329.400 2.600 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cccc1[N+](=O)[O-] ZINC000368712560 150188399 /nfs/dbraw/zinc/18/83/99/150188399.db2.gz OSBBUBNMPXSUJB-LJQANCHMSA-N 1 0 337.379 2.999 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000369805153 150452269 /nfs/dbraw/zinc/45/22/69/150452269.db2.gz KCTGJQZAWGOGTG-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000372730742 151053407 /nfs/dbraw/zinc/05/34/07/151053407.db2.gz ZRKRWRHGLQTACV-QZTJIDSGSA-N 1 0 328.368 2.782 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372897913 151077761 /nfs/dbraw/zinc/07/77/61/151077761.db2.gz SCUMXEJSXSVAAI-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO CC(C)(C)OC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373295109 151147718 /nfs/dbraw/zinc/14/77/18/151147718.db2.gz UHNFVOMIICHAGE-UHFFFAOYSA-N 1 0 338.408 2.550 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000373345865 151155684 /nfs/dbraw/zinc/15/56/84/151155684.db2.gz RIRIAMXFWPENHY-RCFWFJCLSA-N 1 0 342.399 2.777 20 5 EFBDRO C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000373412178 151166298 /nfs/dbraw/zinc/16/62/98/151166298.db2.gz JFNINYOFAQDVOJ-WBMJQRKESA-N 1 0 340.383 2.672 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000373930305 151252139 /nfs/dbraw/zinc/25/21/39/151252139.db2.gz XIGBEPGYOMOLQU-LSDHHAIUSA-N 1 0 344.415 2.526 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373939490 151254022 /nfs/dbraw/zinc/25/40/22/151254022.db2.gz SMAQESBPTAWKPQ-NEPJUHHUSA-N 1 0 335.429 2.673 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373939496 151254092 /nfs/dbraw/zinc/25/40/92/151254092.db2.gz SMAQESBPTAWKPQ-VXGBXAGGSA-N 1 0 335.429 2.673 20 5 EFBDRO O=C(CC[NH+]1CCC(OCC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374090701 151282303 /nfs/dbraw/zinc/28/23/03/151282303.db2.gz AJYQAJLYGFJQQC-UHFFFAOYSA-N 1 0 347.415 2.814 20 5 EFBDRO O=C(CC[NH+]1CCC(OCC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374090190 151282316 /nfs/dbraw/zinc/28/23/16/151282316.db2.gz ATMAWIDPXHUMPN-UHFFFAOYSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000374256249 151310356 /nfs/dbraw/zinc/31/03/56/151310356.db2.gz NCLBMNPVWCGGTP-SJLPKXTDSA-N 1 0 344.415 2.725 20 5 EFBDRO Cc1c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305933 151318749 /nfs/dbraw/zinc/31/87/49/151318749.db2.gz BCQFQCZIDYWSLB-SJORKVTESA-N 1 0 339.395 2.731 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374394992 151338515 /nfs/dbraw/zinc/33/85/15/151338515.db2.gz RNVYIYZTWJLQJZ-KBPBESRZSA-N 1 0 344.371 2.503 20 5 EFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000374440853 151348125 /nfs/dbraw/zinc/34/81/25/151348125.db2.gz YDDIDUNPUBEGOP-INIZCTEOSA-N 1 0 331.416 2.761 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000374514822 151361142 /nfs/dbraw/zinc/36/11/42/151361142.db2.gz PYPHPFOGMWOFKY-AEGPPILISA-N 1 0 347.415 2.798 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000374574556 151373451 /nfs/dbraw/zinc/37/34/51/151373451.db2.gz IIZNSTZCLONDCJ-UONOGXRCSA-N 1 0 329.404 2.566 20 5 EFBDRO COc1ccc(OCCN2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374588495 151376142 /nfs/dbraw/zinc/37/61/42/151376142.db2.gz SCYZYFTXYJCSPZ-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO COc1ccc(OCC[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375702346 151580282 /nfs/dbraw/zinc/58/02/82/151580282.db2.gz SGWVMMPFTXPMPI-UHFFFAOYSA-N 1 0 336.388 2.531 20 5 EFBDRO COc1ccc(OCCN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000375800715 151597267 /nfs/dbraw/zinc/59/72/67/151597267.db2.gz DDYHPJLULGWPKR-LSDHHAIUSA-N 1 0 349.431 2.541 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376618494 151745767 /nfs/dbraw/zinc/74/57/67/151745767.db2.gz LZGAIQHARVRCQW-VSGCLNPGSA-N 1 0 329.400 2.741 20 5 EFBDRO COc1cc(N[C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000378157689 152021187 /nfs/dbraw/zinc/02/11/87/152021187.db2.gz ILKYPCZJFJKYTI-LSDHHAIUSA-N 1 0 335.404 2.659 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302930 152051379 /nfs/dbraw/zinc/05/13/79/152051379.db2.gz AYEAMJAVIHXXPM-SJORKVTESA-N 1 0 339.395 2.731 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000378629797 152131693 /nfs/dbraw/zinc/13/16/93/152131693.db2.gz DOHSJOCXHVXXJA-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000408088250 152150495 /nfs/dbraw/zinc/15/04/95/152150495.db2.gz PRHVOTQMEOROIP-AWEZNQCLSA-N 1 0 343.427 2.996 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000408331329 152177520 /nfs/dbraw/zinc/17/75/20/152177520.db2.gz QQKAQEGZPVYLQG-NVXWUHKLSA-N 1 0 346.431 2.529 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000408331325 152177540 /nfs/dbraw/zinc/17/75/40/152177540.db2.gz QQKAQEGZPVYLQG-DOTOQJQBSA-N 1 0 346.431 2.529 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000122156079 222025720 /nfs/dbraw/zinc/02/57/20/222025720.db2.gz PDVNJEULZIUHHN-DYEKYZERSA-N 1 0 332.404 2.580 20 5 EFBDRO CC(C)NC(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113320045 544568889 /nfs/dbraw/zinc/56/88/89/544568889.db2.gz VTYORJRSTKJZCB-UHFFFAOYSA-N 1 0 348.428 2.723 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000185834304 265048508 /nfs/dbraw/zinc/04/85/08/265048508.db2.gz YRHQHEAUXZEVMR-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186399080 265065227 /nfs/dbraw/zinc/06/52/27/265065227.db2.gz QAJZPVAWNSASRB-CYBMUJFWSA-N 1 0 335.404 2.594 20 5 EFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186420559 265067350 /nfs/dbraw/zinc/06/73/50/265067350.db2.gz XOYOVNMCHUPGPZ-CQSZACIVSA-N 1 0 349.431 2.984 20 5 EFBDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000188682996 265147171 /nfs/dbraw/zinc/14/71/71/265147171.db2.gz VZGMCWSGMCVPCQ-CQSZACIVSA-N 1 0 339.395 2.944 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000188990005 265166984 /nfs/dbraw/zinc/16/69/84/265166984.db2.gz WHZABSHFHXGSCN-MRXNPFEDSA-N 1 0 330.384 2.605 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000188974089 265167416 /nfs/dbraw/zinc/16/74/16/265167416.db2.gz HTEJWVYDMIUXGX-KRWDZBQOSA-N 1 0 344.411 2.995 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CCc2ccccc2C1=O ZINC000189035479 265168473 /nfs/dbraw/zinc/16/84/73/265168473.db2.gz SUCKQSVYYQWAHA-UHFFFAOYSA-N 1 0 339.395 2.691 20 5 EFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189378827 265187047 /nfs/dbraw/zinc/18/70/47/265187047.db2.gz AWUFTPCXEHFZDJ-CYBMUJFWSA-N 1 0 335.404 2.941 20 5 EFBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189544296 265194177 /nfs/dbraw/zinc/19/41/77/265194177.db2.gz GLPYIFXIEBXQDW-NSHDSACASA-N 1 0 326.702 2.993 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000191581914 265270125 /nfs/dbraw/zinc/27/01/25/265270125.db2.gz BJEQUIQMKOIDTQ-SFHVURJKSA-N 1 0 328.368 2.815 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000191673287 265273278 /nfs/dbraw/zinc/27/32/78/265273278.db2.gz UHLZKOMPPGPBJO-UHFFFAOYSA-N 1 0 346.391 2.614 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C ZINC000193983912 265355383 /nfs/dbraw/zinc/35/53/83/265355383.db2.gz UIXDQOIDJMJQNA-OAHLLOKOSA-N 1 0 342.399 2.993 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000270381918 265699860 /nfs/dbraw/zinc/69/98/60/265699860.db2.gz NZFIFDGJFZLDJG-UHFFFAOYSA-N 1 0 345.403 2.893 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000270861060 265827893 /nfs/dbraw/zinc/82/78/93/265827893.db2.gz ZWQDKSKYPSOQMQ-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO C[NH+](C)CCCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000270984306 265868457 /nfs/dbraw/zinc/86/84/57/265868457.db2.gz SMLSJFCZNGUYLH-UHFFFAOYSA-N 1 0 337.449 2.862 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)CCOC ZINC000271072633 265895416 /nfs/dbraw/zinc/89/54/16/265895416.db2.gz FOOJIYGQBSUMFO-BBRMVZONSA-N 1 0 342.461 2.843 20 5 EFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580062 266011501 /nfs/dbraw/zinc/01/15/01/266011501.db2.gz RSZIEMJHLVWUSS-GHMZBOCLSA-N 1 0 335.360 2.525 20 5 EFBDRO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C[NH+](C)C ZINC000087141711 272994001 /nfs/dbraw/zinc/99/40/01/272994001.db2.gz WBWRYPYEZLNBTL-ZDUSSCGKSA-N 1 0 348.447 2.639 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271695376 266044048 /nfs/dbraw/zinc/04/40/48/266044048.db2.gz RRPVEKNPCBQCOX-MRXNPFEDSA-N 1 0 346.383 2.696 20 5 EFBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000271833158 266073908 /nfs/dbraw/zinc/07/39/08/266073908.db2.gz UVPGJNJQZQGCOF-OAHLLOKOSA-N 1 0 343.383 2.637 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000088250626 272994817 /nfs/dbraw/zinc/99/48/17/272994817.db2.gz MDZNXJFOXBDHRT-MDZDMXLPSA-N 1 0 343.383 2.791 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000271979645 266113149 /nfs/dbraw/zinc/11/31/49/266113149.db2.gz JCUVSGVBBZPDPF-HPEXNQPKSA-N 1 0 336.388 2.610 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272222419 266193818 /nfs/dbraw/zinc/19/38/18/266193818.db2.gz NWVJOCMZFWXOSZ-OCCSQVGLSA-N 1 0 341.358 2.676 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000272258849 266206579 /nfs/dbraw/zinc/20/65/79/266206579.db2.gz ZUYLTJIGWKKGEQ-GXFFZTMASA-N 1 0 327.331 2.727 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272289690 266216898 /nfs/dbraw/zinc/21/68/98/266216898.db2.gz FLQKQMLUWWJART-UHFFFAOYSA-N 1 0 329.347 2.535 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272372104 266244038 /nfs/dbraw/zinc/24/40/38/266244038.db2.gz GQYPJPQBYQHFRY-YGRLFVJLSA-N 1 0 338.795 2.806 20 5 EFBDRO COC1(C)CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272407103 266256267 /nfs/dbraw/zinc/25/62/67/266256267.db2.gz YGZFZWSJXVTEDY-UHFFFAOYSA-N 1 0 344.415 2.996 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272492405 266281915 /nfs/dbraw/zinc/28/19/15/266281915.db2.gz UOWRUGPBRKVBHB-SNVBAGLBSA-N 1 0 348.371 2.842 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272517941 266291693 /nfs/dbraw/zinc/29/16/93/266291693.db2.gz KWMWLUNURSRLHJ-UHFFFAOYSA-N 1 0 341.358 2.679 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272557308 266306748 /nfs/dbraw/zinc/30/67/48/266306748.db2.gz NAJSCTCTCNUDGN-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570654 266311130 /nfs/dbraw/zinc/31/11/30/266311130.db2.gz VRYJFKLMCOLYFI-AAEUAGOBSA-N 1 0 333.413 2.921 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000272579116 266313931 /nfs/dbraw/zinc/31/39/31/266313931.db2.gz GOCWKZPHDWLEGK-FZMZJTMJSA-N 1 0 345.424 2.976 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272623076 266329869 /nfs/dbraw/zinc/32/98/69/266329869.db2.gz MDYHUJDDJLLIMF-HEHGZKQESA-N 1 0 349.456 2.628 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](COC)OC ZINC000272700348 266354692 /nfs/dbraw/zinc/35/46/92/266354692.db2.gz RUGPNLYHDQXROY-OLZOCXBDSA-N 1 0 328.434 2.717 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](COC)OC ZINC000272700353 266355390 /nfs/dbraw/zinc/35/53/90/266355390.db2.gz RUGPNLYHDQXROY-STQMWFEESA-N 1 0 328.434 2.717 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272724895 266365237 /nfs/dbraw/zinc/36/52/37/266365237.db2.gz JQVSEYZPDWXTLL-OLZOCXBDSA-N 1 0 332.404 2.605 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000272761340 266374854 /nfs/dbraw/zinc/37/48/54/266374854.db2.gz AKJXTYCMVZAYBQ-GXTWGEPZSA-N 1 0 348.403 2.551 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000102640351 273000264 /nfs/dbraw/zinc/00/02/64/273000264.db2.gz YLTDPLODLVNCPA-HWKANZROSA-N 1 0 335.379 2.595 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000104413480 273003106 /nfs/dbraw/zinc/00/31/06/273003106.db2.gz HOVOWWZOTQQWFK-LOWQCSRCSA-N 1 0 335.379 2.690 20 5 EFBDRO CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274677932 266689994 /nfs/dbraw/zinc/68/99/94/266689994.db2.gz MZZDNNIABVWOKX-LSDHHAIUSA-N 1 0 325.409 2.750 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108329810 273009240 /nfs/dbraw/zinc/00/92/40/273009240.db2.gz XXFDMQBVUKWRDC-OLZOCXBDSA-N 1 0 337.445 2.533 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000276407647 266981867 /nfs/dbraw/zinc/98/18/67/266981867.db2.gz HOSVILLGIUEHCZ-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276417063 266984650 /nfs/dbraw/zinc/98/46/50/266984650.db2.gz NDNKWOBAZNRZPQ-DZGCQCFKSA-N 1 0 332.404 2.960 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000276453351 266992152 /nfs/dbraw/zinc/99/21/52/266992152.db2.gz MWKQVQFEMGSKJS-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000276538624 267008822 /nfs/dbraw/zinc/00/88/22/267008822.db2.gz ZQPHQVLAUPTHHK-DHZHZOJOSA-N 1 0 331.416 2.942 20 5 EFBDRO CCOc1cc(CN2CC[C@@H](C(=O)OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276899091 267071432 /nfs/dbraw/zinc/07/14/32/267071432.db2.gz LLUCUFLNBFSWCX-GXTWGEPZSA-N 1 0 336.388 2.625 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276948772 267083529 /nfs/dbraw/zinc/08/35/29/267083529.db2.gz TYDHMNSVDJPCPU-AWEZNQCLSA-N 1 0 345.403 2.800 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277042860 267104576 /nfs/dbraw/zinc/10/45/76/267104576.db2.gz GIEJDDCXYCDHDW-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000277353531 267162868 /nfs/dbraw/zinc/16/28/68/267162868.db2.gz UEOWEPCVYPBWMC-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607961 267210951 /nfs/dbraw/zinc/21/09/51/267210951.db2.gz WGNPDQKXTGUAAB-AWEZNQCLSA-N 1 0 337.420 2.528 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000277638747 267219152 /nfs/dbraw/zinc/21/91/52/267219152.db2.gz TUPNNYXDGZERDC-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000277671775 267228284 /nfs/dbraw/zinc/22/82/84/267228284.db2.gz AFNLUOQVRCHSTQ-ZDUSSCGKSA-N 1 0 339.823 2.715 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277692100 267235735 /nfs/dbraw/zinc/23/57/35/267235735.db2.gz ZRWFONLWSNKZNH-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277747012 267251905 /nfs/dbraw/zinc/25/19/05/267251905.db2.gz LFYPFISDLXKGSV-BXUZGUMPSA-N 1 0 348.321 2.609 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000277808194 267268995 /nfs/dbraw/zinc/26/89/95/267268995.db2.gz PWVDRUHEWDCIHF-QGZVFWFLSA-N 1 0 336.388 2.588 20 5 EFBDRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277989386 267315532 /nfs/dbraw/zinc/31/55/32/267315532.db2.gz WNOIVRURHAFNNQ-ZDUSSCGKSA-N 1 0 346.431 2.829 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([NH2+]C2CC2)CC1 ZINC000278155767 267355925 /nfs/dbraw/zinc/35/59/25/267355925.db2.gz BRCZEFRBESTMGH-UHFFFAOYSA-N 1 0 330.310 2.729 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCCc2c(F)cccc2Cl)c1 ZINC000278472498 267452445 /nfs/dbraw/zinc/45/24/45/267452445.db2.gz HORFEOHYALRATR-UHFFFAOYSA-N 1 0 326.759 2.806 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000278513046 267466283 /nfs/dbraw/zinc/46/62/83/267466283.db2.gz YGWOIEJJYXUIQS-CQSZACIVSA-N 1 0 330.432 2.731 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000177609057 273038074 /nfs/dbraw/zinc/03/80/74/273038074.db2.gz KSLIJWMQHNCJTL-CHWSQXEVSA-N 1 0 325.796 2.851 20 5 EFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000184608592 273049613 /nfs/dbraw/zinc/04/96/13/273049613.db2.gz HGVVCTRVOUFGDQ-HNNXBMFYSA-N 1 0 347.371 2.802 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000187042327 273051699 /nfs/dbraw/zinc/05/16/99/273051699.db2.gz XGSANIMJTKYWJF-JKSUJKDBSA-N 1 0 349.431 2.767 20 5 EFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000193707008 273064188 /nfs/dbraw/zinc/06/41/88/273064188.db2.gz IQKNLYDOTOHWGT-UHFFFAOYSA-N 1 0 349.431 2.746 20 5 EFBDRO C[N@H+](CCOc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269666911 273087947 /nfs/dbraw/zinc/08/79/47/273087947.db2.gz MJWUIMIWQICBHY-INIZCTEOSA-N 1 0 334.347 2.778 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269739772 273089774 /nfs/dbraw/zinc/08/97/74/273089774.db2.gz WRJSYXXOSYPRIL-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO CCOc1ccc([C@H](C)NCCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000271117545 273099042 /nfs/dbraw/zinc/09/90/42/273099042.db2.gz IPQWYQZICZFCHY-AWEZNQCLSA-N 1 0 339.436 2.612 20 5 EFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271247674 273103445 /nfs/dbraw/zinc/10/34/45/273103445.db2.gz JVASTQRQGIKSPF-WFASDCNBSA-N 1 0 330.388 2.652 20 5 EFBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000273039253 273114527 /nfs/dbraw/zinc/11/45/27/273114527.db2.gz ONNKNOVGABFGTA-ZDUSSCGKSA-N 1 0 340.383 2.678 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274954877 273135216 /nfs/dbraw/zinc/13/52/16/273135216.db2.gz HRFCKDMFOWJQMG-UHFFFAOYSA-N 1 0 341.415 2.902 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275585718 273137564 /nfs/dbraw/zinc/13/75/64/273137564.db2.gz FHNKNNJXHFBHPV-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277334798 273152518 /nfs/dbraw/zinc/15/25/18/273152518.db2.gz VSEXBORXMYJDHP-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277505862 273158860 /nfs/dbraw/zinc/15/88/60/273158860.db2.gz QDRJMBWXSPXFJS-OAHLLOKOSA-N 1 0 349.431 2.719 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)C1CC1 ZINC000279002890 273165320 /nfs/dbraw/zinc/16/53/20/273165320.db2.gz RQNUHKKZZYSCAB-RHSMWYFYSA-N 1 0 340.427 2.965 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279079940 273174425 /nfs/dbraw/zinc/17/44/25/273174425.db2.gz MMMNNNDJBZFPKX-GUYCJALGSA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279126097 273179506 /nfs/dbraw/zinc/17/95/06/273179506.db2.gz QPXKKKWPHSZZFB-ZBEGNZNMSA-N 1 0 329.400 2.670 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279126096 273179596 /nfs/dbraw/zinc/17/95/96/273179596.db2.gz QPXKKKWPHSZZFB-MEDUHNTESA-N 1 0 329.400 2.670 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219809 273189799 /nfs/dbraw/zinc/18/97/99/273189799.db2.gz HWLHHBYLNQPPEN-YWPYICTPSA-N 1 0 346.387 2.847 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279240559 273192040 /nfs/dbraw/zinc/19/20/40/273192040.db2.gz ZWXRTWDOVNCCRI-UHFFFAOYSA-N 1 0 345.802 2.634 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279262327 273194777 /nfs/dbraw/zinc/19/47/77/273194777.db2.gz IIDVTHWQNMBNMP-GUYCJALGSA-N 1 0 347.415 2.731 20 5 EFBDRO CC(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000279357674 273206352 /nfs/dbraw/zinc/20/63/52/273206352.db2.gz UYOQEXWCIOCYBY-ZDUSSCGKSA-N 1 0 347.337 2.816 20 5 EFBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000279665358 273239698 /nfs/dbraw/zinc/23/96/98/273239698.db2.gz GYMQKMBUNONWGD-SNVBAGLBSA-N 1 0 340.763 2.605 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279782228 273252956 /nfs/dbraw/zinc/25/29/56/273252956.db2.gz NSGYEQSVAHYVNO-LSDHHAIUSA-N 1 0 349.431 2.857 20 5 EFBDRO CC1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000279813998 273256410 /nfs/dbraw/zinc/25/64/10/273256410.db2.gz XYONOGXXTCLFQS-AWEZNQCLSA-N 1 0 340.445 2.552 20 5 EFBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000280252756 273307526 /nfs/dbraw/zinc/30/75/26/273307526.db2.gz KTMSNVPUCRPHDR-QWHCGFSZSA-N 1 0 348.403 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)o2)cc1 ZINC000280290975 273311993 /nfs/dbraw/zinc/31/19/93/273311993.db2.gz MQVBGOUOSKAQAV-LSDHHAIUSA-N 1 0 346.383 2.589 20 5 EFBDRO Cc1cc(OCC(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280453280 273329646 /nfs/dbraw/zinc/32/96/46/273329646.db2.gz DXIMUKFTLFFOCV-UHFFFAOYSA-N 1 0 349.431 2.519 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280610119 273346505 /nfs/dbraw/zinc/34/65/05/273346505.db2.gz VTYJZFPHEARWLP-AWEZNQCLSA-N 1 0 349.431 2.715 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000280657635 273351977 /nfs/dbraw/zinc/35/19/77/273351977.db2.gz GHRCFRHLCQWMKD-KRWDZBQOSA-N 1 0 347.419 2.500 20 5 EFBDRO COc1cc(CNCCF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000280853660 273373953 /nfs/dbraw/zinc/37/39/53/273373953.db2.gz ZWEISWLHYAEYQA-UHFFFAOYSA-N 1 0 326.246 2.604 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280884553 273377545 /nfs/dbraw/zinc/37/75/45/273377545.db2.gz BDHTVOAEHOVVKL-SPSFWMDKSA-N 1 0 340.445 2.945 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281590927 273450148 /nfs/dbraw/zinc/45/01/48/273450148.db2.gz NOWYSFDOBPMCRS-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000282336743 273547691 /nfs/dbraw/zinc/54/76/91/273547691.db2.gz LVKWZNDVBZKYTA-HSZRJFAPSA-N 1 0 334.397 2.856 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CC1 ZINC000282468024 273566979 /nfs/dbraw/zinc/56/69/79/273566979.db2.gz WCXPXELRXGCTBO-YTEVENLXSA-N 1 0 342.486 2.966 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282506445 273572755 /nfs/dbraw/zinc/57/27/55/273572755.db2.gz RKNBLYCBKQJYBY-UHFFFAOYSA-N 1 0 343.811 2.718 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000282851086 273629157 /nfs/dbraw/zinc/62/91/57/273629157.db2.gz LOUSEIQWKSXHRK-LBPRGKRZSA-N 1 0 337.763 2.874 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000282942492 273642896 /nfs/dbraw/zinc/64/28/96/273642896.db2.gz MRQVGFYPCKVZBY-CYBMUJFWSA-N 1 0 336.779 2.609 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422828733 273709167 /nfs/dbraw/zinc/70/91/67/273709167.db2.gz GPPBKVLHAQFGMQ-CYBMUJFWSA-N 1 0 335.404 2.631 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000283838408 273766102 /nfs/dbraw/zinc/76/61/02/273766102.db2.gz GNPXSNCFDRGBFB-CQSZACIVSA-N 1 0 349.431 2.797 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284018921 273787100 /nfs/dbraw/zinc/78/71/00/273787100.db2.gz IRNDSBIDWOHZHV-DIFFPNOSSA-N 1 0 331.372 2.570 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284840189 273895666 /nfs/dbraw/zinc/89/56/66/273895666.db2.gz SMPHUFIPVQAXTI-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000284905248 273905032 /nfs/dbraw/zinc/90/50/32/273905032.db2.gz UYYRZRBLTVIXGP-HNNXBMFYSA-N 1 0 335.360 2.942 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284977863 273919760 /nfs/dbraw/zinc/91/97/60/273919760.db2.gz GAHZFDGZMVKSMJ-GXTWGEPZSA-N 1 0 327.388 2.502 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014450 273926502 /nfs/dbraw/zinc/92/65/02/273926502.db2.gz HGJZCWUPKBWQLI-NORZTCDRSA-N 1 0 337.445 2.882 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054159 273933584 /nfs/dbraw/zinc/93/35/84/273933584.db2.gz IOICPUPBQJLQJC-TZMCWYRMSA-N 1 0 335.404 2.903 20 5 EFBDRO COCCCN(C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241445 274019417 /nfs/dbraw/zinc/01/94/17/274019417.db2.gz OVTYCRGKWADETJ-KRWDZBQOSA-N 1 0 335.448 2.875 20 5 EFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285545708 274022455 /nfs/dbraw/zinc/02/24/55/274022455.db2.gz QHGJCKUFUFNLDP-UHFFFAOYSA-N 1 0 346.330 2.875 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000285633830 274042464 /nfs/dbraw/zinc/04/24/64/274042464.db2.gz KOKBECVBODKRFN-ZDUSSCGKSA-N 1 0 340.445 2.911 20 5 EFBDRO Cc1noc([C@@H]2CCCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649318 274045083 /nfs/dbraw/zinc/04/50/83/274045083.db2.gz MEXBBTXOJOYHBM-LSDHHAIUSA-N 1 0 332.360 2.547 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000285649873 274045404 /nfs/dbraw/zinc/04/54/04/274045404.db2.gz OOAASYORPMURNU-OAHLLOKOSA-N 1 0 341.358 2.787 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285725123 274061608 /nfs/dbraw/zinc/06/16/08/274061608.db2.gz XDOUPFGFYVUCOV-WCQYABFASA-N 1 0 325.359 2.932 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414163015 274061956 /nfs/dbraw/zinc/06/19/56/274061956.db2.gz FLCZCBWDPNOMLL-HSMVNMDESA-N 1 0 335.404 2.633 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000285793130 274076105 /nfs/dbraw/zinc/07/61/05/274076105.db2.gz VIUCWKSHCZPVRX-CYBMUJFWSA-N 1 0 340.445 2.911 20 5 EFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2C1 ZINC000285890777 274095027 /nfs/dbraw/zinc/09/50/27/274095027.db2.gz XMHAEXKJVHMGHT-UHFFFAOYSA-N 1 0 329.360 2.542 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000285898341 274096639 /nfs/dbraw/zinc/09/66/39/274096639.db2.gz RVLWDAFTBPOSOL-MXLWSZSJSA-N 1 0 329.400 2.693 20 5 EFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000286088467 274130979 /nfs/dbraw/zinc/13/09/79/274130979.db2.gz KMBAYQRNMPABOA-ZDUSSCGKSA-N 1 0 343.811 2.837 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286103803 274134259 /nfs/dbraw/zinc/13/42/59/274134259.db2.gz UDBGGDMSZZBYKH-HUUCEWRRSA-N 1 0 349.431 2.939 20 5 EFBDRO CCOC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000286157595 274144490 /nfs/dbraw/zinc/14/44/90/274144490.db2.gz NXXAERCJEYMGHD-CQSZACIVSA-N 1 0 334.376 2.796 20 5 EFBDRO CC[NH+]1CCN(CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286159278 274145030 /nfs/dbraw/zinc/14/50/30/274145030.db2.gz OQISYYZSEOUABA-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286193463 274151191 /nfs/dbraw/zinc/15/11/91/274151191.db2.gz PSUUYOGNODAYRQ-ZBFHGGJFSA-N 1 0 349.456 2.748 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000286206376 274153692 /nfs/dbraw/zinc/15/36/92/274153692.db2.gz SJMJJBNDIIIUFC-QWHCGFSZSA-N 1 0 337.445 2.805 20 5 EFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000286255525 274163235 /nfs/dbraw/zinc/16/32/35/274163235.db2.gz SLEJBZZVAYDHJY-INIZCTEOSA-N 1 0 337.420 2.883 20 5 EFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000286286502 274169881 /nfs/dbraw/zinc/16/98/81/274169881.db2.gz UXEFUBGHVCUIOW-CYBMUJFWSA-N 1 0 343.811 2.837 20 5 EFBDRO CCOC(=O)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286288616 274170159 /nfs/dbraw/zinc/17/01/59/274170159.db2.gz HJENTTMHHCPIQE-NNQSOWQGSA-N 1 0 347.415 2.833 20 5 EFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286325445 274178640 /nfs/dbraw/zinc/17/86/40/274178640.db2.gz WWJAANXRPUQNOM-ZBFHGGJFSA-N 1 0 349.456 2.748 20 5 EFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286325442 274178651 /nfs/dbraw/zinc/17/86/51/274178651.db2.gz WWJAANXRPUQNOM-HOCLYGCPSA-N 1 0 349.456 2.748 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286333976 274180305 /nfs/dbraw/zinc/18/03/05/274180305.db2.gz LQXJXZVTRRWWLF-OCCSQVGLSA-N 1 0 344.415 2.543 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286440546 274202074 /nfs/dbraw/zinc/20/20/74/274202074.db2.gz OFGVOXYNCYSAFX-JQWIXIFHSA-N 1 0 333.417 2.663 20 5 EFBDRO CC[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000286480843 274210376 /nfs/dbraw/zinc/21/03/76/274210376.db2.gz LHESUIPTLCQJJH-AWEZNQCLSA-N 1 0 344.415 2.818 20 5 EFBDRO COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000286488097 274211642 /nfs/dbraw/zinc/21/16/42/274211642.db2.gz LRBGGCVNQIJEJG-AWEZNQCLSA-N 1 0 346.305 2.831 20 5 EFBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000413156850 274226562 /nfs/dbraw/zinc/22/65/62/274226562.db2.gz SOIRVDKKMCCAHT-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO CC1CC[NH+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000286592651 274232023 /nfs/dbraw/zinc/23/20/23/274232023.db2.gz KQFZJYXVXJUBJI-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)N1CCOCC1 ZINC000192836771 274257271 /nfs/dbraw/zinc/25/72/71/274257271.db2.gz CVEWXNCNPNMPIQ-QWQRMKEZSA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000357737930 274295718 /nfs/dbraw/zinc/29/57/18/274295718.db2.gz GCJZBWIWWSUBIM-KGLIPLIRSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286926260 274302319 /nfs/dbraw/zinc/30/23/19/274302319.db2.gz LDSZADVGJUBYOT-TZMCWYRMSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287047959 274329665 /nfs/dbraw/zinc/32/96/65/274329665.db2.gz SNXZLRPAYORARL-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000287094192 274340664 /nfs/dbraw/zinc/34/06/64/274340664.db2.gz YYEKEJQPEIONBQ-HNNXBMFYSA-N 1 0 345.374 2.913 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287194274 274364778 /nfs/dbraw/zinc/36/47/78/274364778.db2.gz PDBYDQBDEVTQIC-YOEHRIQHSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287194268 274364898 /nfs/dbraw/zinc/36/48/98/274364898.db2.gz PDBYDQBDEVTQIC-WMLDXEAASA-N 1 0 331.416 2.613 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287211064 274368602 /nfs/dbraw/zinc/36/86/02/274368602.db2.gz QTAQMYYJVVIMAN-BBRMVZONSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287211078 274368750 /nfs/dbraw/zinc/36/87/50/274368750.db2.gz QTAQMYYJVVIMAN-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000287267607 274381609 /nfs/dbraw/zinc/38/16/09/274381609.db2.gz CIHMHAOHOQISHN-BFHYXJOUSA-N 1 0 335.404 2.574 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287296080 274387832 /nfs/dbraw/zinc/38/78/32/274387832.db2.gz UCJDSGULMVOXIL-SWLSCSKDSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287328808 274395858 /nfs/dbraw/zinc/39/58/58/274395858.db2.gz OOTLQXJMKBZQDW-GRDNDAEWSA-N 1 0 346.431 2.924 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287351281 274401269 /nfs/dbraw/zinc/40/12/69/274401269.db2.gz ZKFLFSAUAZSDPT-TZMCWYRMSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287351272 274401282 /nfs/dbraw/zinc/40/12/82/274401282.db2.gz ZKFLFSAUAZSDPT-JSGCOSHPSA-N 1 0 348.403 2.694 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000289311659 274739537 /nfs/dbraw/zinc/73/95/37/274739537.db2.gz AQKCBIMMPXJFTO-NSHDSACASA-N 1 0 336.779 2.726 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000289533845 274777837 /nfs/dbraw/zinc/77/78/37/274777837.db2.gz WHTNQMZGUXJHSH-FUHWJXTLSA-N 1 0 347.459 2.618 20 5 EFBDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000450294317 274840857 /nfs/dbraw/zinc/84/08/57/274840857.db2.gz MNZKKIVVUYWXNI-HNNXBMFYSA-N 1 0 333.436 2.642 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2N1 ZINC000263763281 275018676 /nfs/dbraw/zinc/01/86/76/275018676.db2.gz VFHYUFXVXFSKNF-WFASDCNBSA-N 1 0 330.388 2.518 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000269384920 275032624 /nfs/dbraw/zinc/03/26/24/275032624.db2.gz ARFIIMJGZPRYBB-WCQYABFASA-N 1 0 347.444 2.757 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949116 275040106 /nfs/dbraw/zinc/04/01/06/275040106.db2.gz SWBRSXSVCVNUJG-LPHOPBHVSA-N 1 0 339.395 2.940 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000413130983 275040824 /nfs/dbraw/zinc/04/08/24/275040824.db2.gz DHPWJYDRYLDFPU-UHFFFAOYSA-N 1 0 330.310 2.683 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000413071596 275040933 /nfs/dbraw/zinc/04/09/33/275040933.db2.gz NODAAOIFGUUAET-UHFFFAOYSA-N 1 0 330.310 2.541 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300131436 275041855 /nfs/dbraw/zinc/04/18/55/275041855.db2.gz VURFLIZLRCPJED-UWVGGRQHSA-N 1 0 341.209 2.791 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236684989 275602795 /nfs/dbraw/zinc/60/27/95/275602795.db2.gz KMLKQQHQSRDZEX-OAHLLOKOSA-N 1 0 325.434 2.567 20 5 EFBDRO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000268563214 276003040 /nfs/dbraw/zinc/00/30/40/276003040.db2.gz OTBHBWLCKVLKMA-UHFFFAOYSA-N 1 0 334.376 2.628 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000430813487 276105430 /nfs/dbraw/zinc/10/54/30/276105430.db2.gz FAFIMXGJLADPMB-WMLDXEAASA-N 1 0 348.447 2.929 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412154753 276105741 /nfs/dbraw/zinc/10/57/41/276105741.db2.gz NTHAZBBFAHUMBB-JCGIZDLHSA-N 1 0 345.443 2.889 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000110597174 276157988 /nfs/dbraw/zinc/15/79/88/276157988.db2.gz REZXKRFXJMAQSL-CYBMUJFWSA-N 1 0 332.404 2.766 20 5 EFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000362348858 276203392 /nfs/dbraw/zinc/20/33/92/276203392.db2.gz OBQQFUHKMMZMGO-UHFFFAOYSA-N 1 0 330.363 2.938 20 5 EFBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)C(C)C ZINC000120239110 276314483 /nfs/dbraw/zinc/31/44/83/276314483.db2.gz WCSKASNQMXPLFO-NSHDSACASA-N 1 0 337.376 2.628 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003444730 276776214 /nfs/dbraw/zinc/77/62/14/276776214.db2.gz UZYWUDBJEZPKHL-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000447518143 276792579 /nfs/dbraw/zinc/79/25/79/276792579.db2.gz VHHNXTVAHAMUSC-QLFBSQMISA-N 1 0 347.419 2.761 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000408071411 276890976 /nfs/dbraw/zinc/89/09/76/276890976.db2.gz KRJOIMDHUJUFMA-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO COCCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266528449 277208023 /nfs/dbraw/zinc/20/80/23/277208023.db2.gz LJDWMXMHFHFKRM-CQSZACIVSA-N 1 0 349.431 2.521 20 5 EFBDRO C[NH2+]CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000261910743 277266246 /nfs/dbraw/zinc/26/62/46/277266246.db2.gz QDIWZXDBFNINGV-UHFFFAOYSA-N 1 0 332.326 2.835 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185053742 277266725 /nfs/dbraw/zinc/26/67/25/277266725.db2.gz UZISQNDBTTVGGQ-NFAWXSAZSA-N 1 0 331.416 2.702 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072897780 277320102 /nfs/dbraw/zinc/32/01/02/277320102.db2.gz DSIIUQMKZAENFD-QAPCUYQASA-N 1 0 349.431 2.693 20 5 EFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449071307 277328515 /nfs/dbraw/zinc/32/85/15/277328515.db2.gz AURBHXYQYCHMAH-CQSZACIVSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000449127062 277593929 /nfs/dbraw/zinc/59/39/29/277593929.db2.gz WBEXWZNKBPOKBI-GOEBONIOSA-N 1 0 341.415 2.574 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429191137 277909392 /nfs/dbraw/zinc/90/93/92/277909392.db2.gz OTLLUJBYOZIMEW-DZGCQCFKSA-N 1 0 348.447 2.544 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000150747119 277936614 /nfs/dbraw/zinc/93/66/14/277936614.db2.gz FYXVKSREXKKNEP-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1[N+](=O)[O-] ZINC000449651329 278037031 /nfs/dbraw/zinc/03/70/31/278037031.db2.gz VUQNCVNHCLTCIK-CABCVRRESA-N 1 0 331.416 2.913 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000337845146 278037296 /nfs/dbraw/zinc/03/72/96/278037296.db2.gz HLUUYQBKRZSFTE-JKSUJKDBSA-N 1 0 331.416 2.961 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261793503 278302850 /nfs/dbraw/zinc/30/28/50/278302850.db2.gz MDFHJJYXXSRNAZ-MBNYWOFBSA-N 1 0 337.445 2.661 20 5 EFBDRO C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253184426 278557345 /nfs/dbraw/zinc/55/73/45/278557345.db2.gz HIKJELANNZQAPM-NXEZZACHSA-N 1 0 328.210 2.778 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000421754214 278665736 /nfs/dbraw/zinc/66/57/36/278665736.db2.gz AXXSUSHFNFNBJP-OAHLLOKOSA-N 1 0 331.416 2.912 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188179956 279168438 /nfs/dbraw/zinc/16/84/38/279168438.db2.gz OWNACWZKSZMYHG-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338444920 279204316 /nfs/dbraw/zinc/20/43/16/279204316.db2.gz BUVXPGCQDFRFPY-LBPRGKRZSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000027740269 279301423 /nfs/dbraw/zinc/30/14/23/279301423.db2.gz DZPNCURSTVSIHX-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056946752 279322749 /nfs/dbraw/zinc/32/27/49/279322749.db2.gz ZOBBSAYEMMTUIT-QLFBSQMISA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237560333 279417645 /nfs/dbraw/zinc/41/76/45/279417645.db2.gz SKLVJXZVUZIYLA-DZGCQCFKSA-N 1 0 346.431 2.537 20 5 EFBDRO CCOc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000180672265 279974506 /nfs/dbraw/zinc/97/45/06/279974506.db2.gz MXMPNSHXLRQFNP-ZDUSSCGKSA-N 1 0 331.372 2.506 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193573758 280045273 /nfs/dbraw/zinc/04/52/73/280045273.db2.gz APHLWTKZRMCPSM-MFKMUULPSA-N 1 0 346.412 2.589 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266728744 280353720 /nfs/dbraw/zinc/35/37/20/280353720.db2.gz NJZOQOVOGDTBCQ-UHFFFAOYSA-N 1 0 337.395 2.815 20 5 EFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420260821 280354771 /nfs/dbraw/zinc/35/47/71/280354771.db2.gz OGYCRZUGKSIAED-CQSZACIVSA-N 1 0 326.400 2.969 20 5 EFBDRO Cc1cc(N2CCOC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083948 280562922 /nfs/dbraw/zinc/56/29/22/280562922.db2.gz DLIQSYWPEYDLIN-UHFFFAOYSA-N 1 0 343.383 2.837 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000433525241 281012177 /nfs/dbraw/zinc/01/21/77/281012177.db2.gz ODNTVVRNYMGXNV-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000354379659 281388996 /nfs/dbraw/zinc/38/89/96/281388996.db2.gz BVXLRQXJTYRZHN-LRDDRELGSA-N 1 0 330.388 2.653 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342738660 288708372 /nfs/dbraw/zinc/70/83/72/288708372.db2.gz JRFYDOFTNOESQK-OLZOCXBDSA-N 1 0 342.399 2.775 20 5 EFBDRO CC[NH+](CC)CCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000065944880 292687113 /nfs/dbraw/zinc/68/71/13/292687113.db2.gz SVCUJIDRVVKOHV-UHFFFAOYSA-N 1 0 343.449 2.532 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000072926671 292721449 /nfs/dbraw/zinc/72/14/49/292721449.db2.gz XJPFOQMZXRQHFZ-DOTOQJQBSA-N 1 0 338.404 2.905 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000177494349 289298532 /nfs/dbraw/zinc/29/85/32/289298532.db2.gz MDIWWRBNIIRWID-NVXWUHKLSA-N 1 0 348.447 2.776 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000447518145 289364584 /nfs/dbraw/zinc/36/45/84/289364584.db2.gz VHHNXTVAHAMUSC-RBSFLKMASA-N 1 0 347.419 2.761 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000454673876 289875064 /nfs/dbraw/zinc/87/50/64/289875064.db2.gz VHKLPTAANMYMHB-STQMWFEESA-N 1 0 336.436 2.931 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367358364 289904607 /nfs/dbraw/zinc/90/46/07/289904607.db2.gz JVKAEFIWYHTTTI-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348521500 290012958 /nfs/dbraw/zinc/01/29/58/290012958.db2.gz QIIXKFLQXCINPG-UFGOTCBOSA-N 1 0 343.330 2.672 20 5 EFBDRO CC(C)[NH+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000126380164 293037196 /nfs/dbraw/zinc/03/71/96/293037196.db2.gz HXSAYDIRWFZTHT-UHFFFAOYSA-N 1 0 336.436 2.555 20 5 EFBDRO CCCNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000132325311 293223775 /nfs/dbraw/zinc/22/37/75/293223775.db2.gz YNCGOWOWIUJWSF-UHFFFAOYSA-N 1 0 349.431 2.922 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133561098 293261351 /nfs/dbraw/zinc/26/13/51/293261351.db2.gz IXGRPIAWMZYUCG-AWEZNQCLSA-N 1 0 335.379 2.728 20 5 EFBDRO Cn1cc(C[NH2+]C[C@]2(C)CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152892500 293351800 /nfs/dbraw/zinc/35/18/00/293351800.db2.gz WSAGDRGERBPSNU-KRWDZBQOSA-N 1 0 330.388 2.654 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255731623 293882307 /nfs/dbraw/zinc/88/23/07/293882307.db2.gz BBYIFNRTIBOPLR-FPLPWBNLSA-N 1 0 331.416 2.846 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000289908197 293943565 /nfs/dbraw/zinc/94/35/65/293943565.db2.gz UVYCDVWHQIQWQM-OAHLLOKOSA-N 1 0 330.388 2.635 20 5 EFBDRO CCOCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290224682 294031670 /nfs/dbraw/zinc/03/16/70/294031670.db2.gz IFKXCPOUQAEIRK-ZDUSSCGKSA-N 1 0 337.420 2.964 20 5 EFBDRO COCCOCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000290288313 294048464 /nfs/dbraw/zinc/04/84/64/294048464.db2.gz ZVPUGTSKKPEPKR-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290372078 294069372 /nfs/dbraw/zinc/06/93/72/294069372.db2.gz HMNWEHFIUOBHGL-UHFFFAOYSA-N 1 0 329.347 2.722 20 5 EFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC000290514123 294107736 /nfs/dbraw/zinc/10/77/36/294107736.db2.gz TYIYBXNGVZJTCD-UHFFFAOYSA-N 1 0 337.807 2.535 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000290557505 294119733 /nfs/dbraw/zinc/11/97/33/294119733.db2.gz SCNIJEPIRZNGCQ-BIENSFFJSA-N 1 0 329.400 2.552 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000290612836 294135871 /nfs/dbraw/zinc/13/58/71/294135871.db2.gz BNCZWCQUYOSDSX-KGLIPLIRSA-N 1 0 336.436 2.992 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000290788934 294186094 /nfs/dbraw/zinc/18/60/94/294186094.db2.gz SRRMJFWBPXKAOT-LLVKDONJSA-N 1 0 342.827 2.776 20 5 EFBDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290893545 294213776 /nfs/dbraw/zinc/21/37/76/294213776.db2.gz NEDOQJYBUZKEBS-ZDUSSCGKSA-N 1 0 337.203 2.779 20 5 EFBDRO COC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291002708 294243366 /nfs/dbraw/zinc/24/33/66/294243366.db2.gz CIWAIGDBHSQEGV-UHFFFAOYSA-N 1 0 345.399 2.703 20 5 EFBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702593 294457908 /nfs/dbraw/zinc/45/79/08/294457908.db2.gz ZDSHABRSZYKDAY-SDBXPKJASA-N 1 0 335.187 2.531 20 5 EFBDRO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000291737023 294468374 /nfs/dbraw/zinc/46/83/74/294468374.db2.gz YJCCPHCPZRFBBS-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292605377 294734469 /nfs/dbraw/zinc/73/44/69/294734469.db2.gz MQFZSXDKLMCSND-UHFFFAOYSA-N 1 0 337.395 2.591 20 5 EFBDRO COc1cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000292986415 294845037 /nfs/dbraw/zinc/84/50/37/294845037.db2.gz NPCWABQMJWKAGZ-QGZVFWFLSA-N 1 0 338.404 2.643 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293257027 294922189 /nfs/dbraw/zinc/92/21/89/294922189.db2.gz FYWJCIKXBSBDCY-ZWNOBZJWSA-N 1 0 331.397 2.634 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293359065 294951060 /nfs/dbraw/zinc/95/10/60/294951060.db2.gz ZUDQYDWRZBPXEN-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293405292 294963108 /nfs/dbraw/zinc/96/31/08/294963108.db2.gz MVGRBAMQYOQPCT-NSHDSACASA-N 1 0 343.811 2.651 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293580237 295004164 /nfs/dbraw/zinc/00/41/64/295004164.db2.gz BADGBORQOQXQCL-CYBMUJFWSA-N 1 0 331.416 2.850 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293699324 295030388 /nfs/dbraw/zinc/03/03/88/295030388.db2.gz NEPSGCCNPUNFBA-CYBMUJFWSA-N 1 0 331.416 2.850 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293710047 295033353 /nfs/dbraw/zinc/03/33/53/295033353.db2.gz OFYHAUWQXYILRH-CYBMUJFWSA-N 1 0 331.416 2.850 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cnn(C)n1 ZINC000293806403 295053746 /nfs/dbraw/zinc/05/37/46/295053746.db2.gz VIUWTOPLGHCUON-ZDUSSCGKSA-N 1 0 349.460 2.816 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000293822906 295057210 /nfs/dbraw/zinc/05/72/10/295057210.db2.gz DBZWUOCUJJTYLH-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293870520 295067908 /nfs/dbraw/zinc/06/79/08/295067908.db2.gz UXIUOROJLUBIOE-SNVBAGLBSA-N 1 0 334.342 2.712 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000293997568 295095836 /nfs/dbraw/zinc/09/58/36/295095836.db2.gz SYRDOWMATDDKEL-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000294030675 295100607 /nfs/dbraw/zinc/10/06/07/295100607.db2.gz OEVMBBPAEUXSMT-YZTRRJNXSA-N 1 0 346.427 2.765 20 5 EFBDRO COc1ccncc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294090310 295109395 /nfs/dbraw/zinc/10/93/95/295109395.db2.gz IVHCVDZWBHWLAY-LBPRGKRZSA-N 1 0 344.371 2.505 20 5 EFBDRO CSc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000294161383 295120523 /nfs/dbraw/zinc/12/05/23/295120523.db2.gz RMSFSQZVVSKGCE-ZDUSSCGKSA-N 1 0 335.433 2.765 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000294332627 295148934 /nfs/dbraw/zinc/14/89/34/295148934.db2.gz XQAFVPZZBZZTOS-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294473930 295172817 /nfs/dbraw/zinc/17/28/17/295172817.db2.gz NPLPIBBDKCEKLH-UHFFFAOYSA-N 1 0 335.448 2.980 20 5 EFBDRO CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000294481613 295174192 /nfs/dbraw/zinc/17/41/92/295174192.db2.gz QHJYHAVSMQPNQL-AWEZNQCLSA-N 1 0 348.428 2.678 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294501684 295176714 /nfs/dbraw/zinc/17/67/14/295176714.db2.gz XFWPXSPQUMCELF-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294599365 295192217 /nfs/dbraw/zinc/19/22/17/295192217.db2.gz UYFCFPYQSSIEGW-CQSZACIVSA-N 1 0 347.415 2.548 20 5 EFBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294638205 295198600 /nfs/dbraw/zinc/19/86/00/295198600.db2.gz GEUSDRFPHVRNQR-UGNUEGEHSA-N 1 0 339.461 2.907 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000294754295 295220916 /nfs/dbraw/zinc/22/09/16/295220916.db2.gz DLEBFSFGPHEFSE-LLVKDONJSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000294764179 295223233 /nfs/dbraw/zinc/22/32/33/295223233.db2.gz BIFJGMKQAHZDPC-UHFFFAOYSA-N 1 0 339.823 2.970 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294792693 295228470 /nfs/dbraw/zinc/22/84/70/295228470.db2.gz AYWWHZVKFZSOKP-KRWDZBQOSA-N 1 0 347.459 2.802 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294816228 295232405 /nfs/dbraw/zinc/23/24/05/295232405.db2.gz GJTZDJPVMIYEIP-JTQLQIEISA-N 1 0 325.796 2.769 20 5 EFBDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294826140 295233622 /nfs/dbraw/zinc/23/36/22/295233622.db2.gz QSAJNGGCMGORJB-SGTLLEGYSA-N 1 0 327.384 2.662 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000294870356 295239010 /nfs/dbraw/zinc/23/90/10/295239010.db2.gz PEYWDIZMMQMMQV-CHWSQXEVSA-N 1 0 345.403 2.879 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000294870365 295239086 /nfs/dbraw/zinc/23/90/86/295239086.db2.gz PEYWDIZMMQMMQV-QWHCGFSZSA-N 1 0 345.403 2.879 20 5 EFBDRO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294987962 295254509 /nfs/dbraw/zinc/25/45/09/295254509.db2.gz QFGOMBTWJYJLBW-JTQLQIEISA-N 1 0 344.337 2.929 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN(CCC[NH3+])Cc1ccccc1 ZINC000310036246 295255129 /nfs/dbraw/zinc/25/51/29/295255129.db2.gz YDNOJGWIRGZDDS-UHFFFAOYSA-N 1 0 329.400 2.954 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000294999698 295255882 /nfs/dbraw/zinc/25/58/82/295255882.db2.gz HRMRQYHLTLZMBX-UHFFFAOYSA-N 1 0 337.807 2.913 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295010738 295257364 /nfs/dbraw/zinc/25/73/64/295257364.db2.gz CRTMIEORZWNWAC-WBVHZDCISA-N 1 0 347.459 2.991 20 5 EFBDRO COC[C@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295105671 295268947 /nfs/dbraw/zinc/26/89/47/295268947.db2.gz KXXYOBBLLDYMRG-GOSISDBHSA-N 1 0 344.415 2.854 20 5 EFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295121132 295270469 /nfs/dbraw/zinc/27/04/69/295270469.db2.gz WURFRGZMRZYVFK-NVXWUHKLSA-N 1 0 347.459 2.849 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295136985 295273160 /nfs/dbraw/zinc/27/31/60/295273160.db2.gz OCUPNOZFXMRLOO-YGRLFVJLSA-N 1 0 337.807 2.769 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000295167533 295277217 /nfs/dbraw/zinc/27/72/17/295277217.db2.gz HXIMQFSMPUIKSD-BRWVUGGUSA-N 1 0 334.416 2.956 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000295281640 295292497 /nfs/dbraw/zinc/29/24/97/295292497.db2.gz BJWNNUGQMBEUIJ-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000295281636 295292609 /nfs/dbraw/zinc/29/26/09/295292609.db2.gz BJWNNUGQMBEUIJ-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CC2)C1 ZINC000295296972 295295821 /nfs/dbraw/zinc/29/58/21/295295821.db2.gz JBKAZJXUODNABU-GFCCVEGCSA-N 1 0 343.383 2.897 20 5 EFBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000295305700 295297467 /nfs/dbraw/zinc/29/74/67/295297467.db2.gz FQKQIASEJONSMC-UHFFFAOYSA-N 1 0 331.372 2.902 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295412765 295315995 /nfs/dbraw/zinc/31/59/95/295315995.db2.gz UMFHQMSLIOQXIW-HOCLYGCPSA-N 1 0 333.432 2.601 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295467111 295325790 /nfs/dbraw/zinc/32/57/90/295325790.db2.gz YZDORSYJWUSJOX-NWDGAFQWSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000295518527 295334175 /nfs/dbraw/zinc/33/41/75/295334175.db2.gz IHWLIPFZRNSTEN-OAHLLOKOSA-N 1 0 333.432 2.751 20 5 EFBDRO CC[NH+](CC)CCCCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295577732 295343847 /nfs/dbraw/zinc/34/38/47/295343847.db2.gz RUWJPLLQBSMISH-UHFFFAOYSA-N 1 0 337.420 2.844 20 5 EFBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000295598241 295346652 /nfs/dbraw/zinc/34/66/52/295346652.db2.gz CCGLTMIXWRDMQY-QJPTWQEYSA-N 1 0 347.337 2.808 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295622327 295350693 /nfs/dbraw/zinc/35/06/93/295350693.db2.gz ONAMAASMAAINQS-ZDUSSCGKSA-N 1 0 349.431 2.717 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000295647253 295354571 /nfs/dbraw/zinc/35/45/71/295354571.db2.gz RDGQYCWYIQWWGZ-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295762734 295372140 /nfs/dbraw/zinc/37/21/40/295372140.db2.gz PFKSWTXONFZDOJ-SMDDNHRTSA-N 1 0 337.807 2.947 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000295821608 295381335 /nfs/dbraw/zinc/38/13/35/295381335.db2.gz BXMCCRJYDLXSQC-WMLDXEAASA-N 1 0 335.404 2.635 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295854820 295386746 /nfs/dbraw/zinc/38/67/46/295386746.db2.gz WQDWJVADHNYLPX-QRTARXTBSA-N 1 0 344.415 2.558 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295927547 295397888 /nfs/dbraw/zinc/39/78/88/295397888.db2.gz FUQAIOODEBLPGJ-HNNXBMFYSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295955060 295402342 /nfs/dbraw/zinc/40/23/42/295402342.db2.gz HKHUYAUSGSFQKQ-OPFPJEHXSA-N 1 0 340.445 2.849 20 5 EFBDRO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296123537 295428030 /nfs/dbraw/zinc/42/80/30/295428030.db2.gz BMOCXGCKSYBFFJ-ZDUSSCGKSA-N 1 0 346.431 2.829 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000296165197 295434328 /nfs/dbraw/zinc/43/43/28/295434328.db2.gz ZBHBEYVQMKIXKX-AWEZNQCLSA-N 1 0 348.447 2.654 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296175388 295436445 /nfs/dbraw/zinc/43/64/45/295436445.db2.gz VBQQAWJROOJYOM-HFBAOOFYSA-N 1 0 335.404 2.573 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000296330577 295459568 /nfs/dbraw/zinc/45/95/68/295459568.db2.gz QRYVFKYZXKTHAT-SUMWQHHRSA-N 1 0 346.387 2.938 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265993896 297097059 /nfs/dbraw/zinc/09/70/59/297097059.db2.gz MWEQJJMAXNUOIP-CJNGLKHVSA-N 1 0 331.416 2.568 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000449215084 298919326 /nfs/dbraw/zinc/91/93/26/298919326.db2.gz XSRQGJJKQRCHLG-CXAGYDPISA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000247312127 298960376 /nfs/dbraw/zinc/96/03/76/298960376.db2.gz RBDNRCOIIMKRGZ-IHRRRGAJSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000237557519 300484450 /nfs/dbraw/zinc/48/44/50/300484450.db2.gz RZABOEFLBYFOIE-STQMWFEESA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000378508160 301342559 /nfs/dbraw/zinc/34/25/59/301342559.db2.gz OWDSASWMSUMHJU-DYVFJYSZSA-N 1 0 326.400 2.982 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[NH+]1CCCCCC1 ZINC000152149162 303654015 /nfs/dbraw/zinc/65/40/15/303654015.db2.gz NEAHKUGLYHPLMR-UHFFFAOYSA-N 1 0 344.415 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c(Cl)c1 ZINC000261949914 304802199 /nfs/dbraw/zinc/80/21/99/304802199.db2.gz FVMWHGAGHFQCGX-INIZCTEOSA-N 1 0 332.791 2.790 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@@H](CO)C2)n1 ZINC000348681993 304811699 /nfs/dbraw/zinc/81/16/99/304811699.db2.gz MQTWRIGBULJLSI-LVQVYYBASA-N 1 0 336.436 2.663 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000134638078 310644654 /nfs/dbraw/zinc/64/46/54/310644654.db2.gz XYNSVABAEIGMFD-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000135031061 310650116 /nfs/dbraw/zinc/65/01/16/310650116.db2.gz SSDNATKOGQORHQ-UHFFFAOYSA-N 1 0 337.445 2.729 20 5 EFBDRO C[NH+](C)CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000176912270 310774081 /nfs/dbraw/zinc/77/40/81/310774081.db2.gz GGZITGATDUAPAW-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCO[C@H]21 ZINC000296407603 310815704 /nfs/dbraw/zinc/81/57/04/310815704.db2.gz VBCNGFZUICSOFA-BPLDGKMQSA-N 1 0 344.371 2.548 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297094352 310851745 /nfs/dbraw/zinc/85/17/45/310851745.db2.gz KTLLRYXNVZEWAY-ZDUSSCGKSA-N 1 0 340.383 2.602 20 5 EFBDRO CCC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297214174 310866896 /nfs/dbraw/zinc/86/68/96/310866896.db2.gz GWWHZXQUKPWHSO-FUHWJXTLSA-N 1 0 335.448 2.872 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303978 310878677 /nfs/dbraw/zinc/87/86/77/310878677.db2.gz HYCFSXQXKUKOAX-UONOGXRCSA-N 1 0 334.420 2.782 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000297576534 310910303 /nfs/dbraw/zinc/91/03/03/310910303.db2.gz SIDRHGKWHQXTDA-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298628717 311009233 /nfs/dbraw/zinc/00/92/33/311009233.db2.gz VQZIQGAITVQOEQ-QGZVFWFLSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298694967 311014994 /nfs/dbraw/zinc/01/49/94/311014994.db2.gz DXOKEAAJQOYHQI-UHFFFAOYSA-N 1 0 329.356 2.698 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298720322 311017351 /nfs/dbraw/zinc/01/73/51/311017351.db2.gz DFBURYVOUIFQDC-GFCCVEGCSA-N 1 0 331.372 2.945 20 5 EFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000298775514 311022528 /nfs/dbraw/zinc/02/25/28/311022528.db2.gz KQZAENHQBWSADG-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298886812 311032061 /nfs/dbraw/zinc/03/20/61/311032061.db2.gz SFZRUYLMNULGEO-LBPRGKRZSA-N 1 0 334.401 2.551 20 5 EFBDRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298961920 311037807 /nfs/dbraw/zinc/03/78/07/311037807.db2.gz MWICIXXCYHDLRQ-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299025875 311042872 /nfs/dbraw/zinc/04/28/72/311042872.db2.gz OFCWQLJDYOQBOB-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000299039511 311044375 /nfs/dbraw/zinc/04/43/75/311044375.db2.gz ZRULNTTVYNKDQL-MAZHCROVSA-N 1 0 332.404 2.582 20 5 EFBDRO CNC(=O)c1ccc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000299085791 311049527 /nfs/dbraw/zinc/04/95/27/311049527.db2.gz UHPRRWASEJXXKX-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000299107809 311051614 /nfs/dbraw/zinc/05/16/14/311051614.db2.gz YCSZHNYVXFMZMW-KBXCAEBGSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000299235018 311064140 /nfs/dbraw/zinc/06/41/40/311064140.db2.gz ULZMMYUERSUDCY-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299244234 311065018 /nfs/dbraw/zinc/06/50/18/311065018.db2.gz MCXJMPQONAQNKZ-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000299397773 311080882 /nfs/dbraw/zinc/08/08/82/311080882.db2.gz UQLHVPHHXCSGHP-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299422410 311083321 /nfs/dbraw/zinc/08/33/21/311083321.db2.gz HPVGHGCZJDITFZ-UHFFFAOYSA-N 1 0 346.412 2.724 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000299428513 311083886 /nfs/dbraw/zinc/08/38/86/311083886.db2.gz BJCFECIJRXMZAU-UHFFFAOYSA-N 1 0 343.387 2.865 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299451930 311086257 /nfs/dbraw/zinc/08/62/57/311086257.db2.gz LAXALROEGLIPLO-NSHDSACASA-N 1 0 348.428 2.788 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299497064 311090729 /nfs/dbraw/zinc/09/07/29/311090729.db2.gz HEBNJUALWCIZQW-OAHLLOKOSA-N 1 0 349.456 2.774 20 5 EFBDRO COc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299564413 311097474 /nfs/dbraw/zinc/09/74/74/311097474.db2.gz GRMOKLOMKSELRZ-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000299698265 311112116 /nfs/dbraw/zinc/11/21/16/311112116.db2.gz OAMXBKLFXKVOQO-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+](C)C ZINC000301125595 311120332 /nfs/dbraw/zinc/12/03/32/311120332.db2.gz VPGXRPOZGKJGLU-AWEZNQCLSA-N 1 0 348.428 2.731 20 5 EFBDRO CNC(=O)c1ccc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301155064 311121712 /nfs/dbraw/zinc/12/17/12/311121712.db2.gz FQQVIOMBOQFBEU-CYBMUJFWSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCOCC1 ZINC000301370231 311133887 /nfs/dbraw/zinc/13/38/87/311133887.db2.gz PROQNGCPHWBJMU-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301394905 311135365 /nfs/dbraw/zinc/13/53/65/311135365.db2.gz DUBOSXDDLUREQR-LLVKDONJSA-N 1 0 328.210 2.888 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301394906 311135391 /nfs/dbraw/zinc/13/53/91/311135391.db2.gz DUBOSXDDLUREQR-NSHDSACASA-N 1 0 328.210 2.888 20 5 EFBDRO COC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301404614 311135562 /nfs/dbraw/zinc/13/55/62/311135562.db2.gz KYVQHZLWYFUKFI-NSHDSACASA-N 1 0 347.337 2.771 20 5 EFBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301435855 311137364 /nfs/dbraw/zinc/13/73/64/311137364.db2.gz JRSJBHSGBTVVIW-LBPRGKRZSA-N 1 0 326.828 2.604 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000301464851 311138990 /nfs/dbraw/zinc/13/89/90/311138990.db2.gz GYJGIMNOXHTIQT-NSHDSACASA-N 1 0 347.337 2.994 20 5 EFBDRO Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301486519 311140294 /nfs/dbraw/zinc/14/02/94/311140294.db2.gz XPUHGNPVJHWINS-NSHDSACASA-N 1 0 327.812 2.937 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301602319 311147252 /nfs/dbraw/zinc/14/72/52/311147252.db2.gz WEXLOSZYOMRJHN-CHWSQXEVSA-N 1 0 348.403 2.836 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301643309 311149388 /nfs/dbraw/zinc/14/93/88/311149388.db2.gz OHLNKMVVFQFAKI-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301714238 311154180 /nfs/dbraw/zinc/15/41/80/311154180.db2.gz ZGFVKDSMVIJOOD-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccncc21 ZINC000301719984 311154604 /nfs/dbraw/zinc/15/46/04/311154604.db2.gz MDQNDYUOWDIAGT-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301799601 311159132 /nfs/dbraw/zinc/15/91/32/311159132.db2.gz SGACONQRTBEGJG-GFCCVEGCSA-N 1 0 329.347 2.642 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301892065 311165298 /nfs/dbraw/zinc/16/52/98/311165298.db2.gz VMKFXABGYINILE-SJORKVTESA-N 1 0 341.411 2.951 20 5 EFBDRO COc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301970340 311169457 /nfs/dbraw/zinc/16/94/57/311169457.db2.gz RHYAJPYWZXOGBS-LBPRGKRZSA-N 1 0 341.383 2.511 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301992899 311171089 /nfs/dbraw/zinc/17/10/89/311171089.db2.gz OBQBQXVJOXGLMO-ZIAGYGMSSA-N 1 0 338.477 2.651 20 5 EFBDRO CCOCC[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302032101 311173529 /nfs/dbraw/zinc/17/35/29/311173529.db2.gz SLPJOARQHWIQJD-UHFFFAOYSA-N 1 0 344.415 2.610 20 5 EFBDRO Cc1ccnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302040670 311174294 /nfs/dbraw/zinc/17/42/94/311174294.db2.gz RKDNFCQQGPAFAZ-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302048990 311174780 /nfs/dbraw/zinc/17/47/80/311174780.db2.gz WJVVNPOMVFPRTF-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302059315 311175223 /nfs/dbraw/zinc/17/52/23/311175223.db2.gz SCWFSKJBXXCUOV-MRXNPFEDSA-N 1 0 345.374 2.913 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc1 ZINC000302150820 311180746 /nfs/dbraw/zinc/18/07/46/311180746.db2.gz KGBHWVVZDFKBBY-UHFFFAOYSA-N 1 0 331.351 2.600 20 5 EFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000302493999 311191402 /nfs/dbraw/zinc/19/14/02/311191402.db2.gz ZZSQOMSOGIXBIQ-LJQANCHMSA-N 1 0 341.411 2.668 20 5 EFBDRO Cc1cccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302494365 311191551 /nfs/dbraw/zinc/19/15/51/311191551.db2.gz LIEJVJRHJPDBSP-SJORKVTESA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302545061 311192894 /nfs/dbraw/zinc/19/28/94/311192894.db2.gz UMRYXCFFXJPUFJ-YQQAZPJKSA-N 1 0 333.432 2.981 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302783719 311200847 /nfs/dbraw/zinc/20/08/47/311200847.db2.gz UDWCQRXRQCYRFX-LLVKDONJSA-N 1 0 327.812 2.530 20 5 EFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000305103160 311215683 /nfs/dbraw/zinc/21/56/83/311215683.db2.gz BYVQJOHWSUCVJL-AHIWAGSCSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000305103161 311215715 /nfs/dbraw/zinc/21/57/15/311215715.db2.gz BYVQJOHWSUCVJL-DCGLDWPTSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000305103163 311215734 /nfs/dbraw/zinc/21/57/34/311215734.db2.gz BYVQJOHWSUCVJL-OGHNNQOOSA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000305149547 311217407 /nfs/dbraw/zinc/21/74/07/311217407.db2.gz OFVRJSXEHRZKJA-AWEZNQCLSA-N 1 0 348.321 2.609 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305653060 311223706 /nfs/dbraw/zinc/22/37/06/311223706.db2.gz OKPQTZHCRPUGOO-MBNYWOFBSA-N 1 0 346.387 2.799 20 5 EFBDRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000305653062 311223727 /nfs/dbraw/zinc/22/37/27/311223727.db2.gz OKPQTZHCRPUGOO-OBJOEFQTSA-N 1 0 346.387 2.799 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000305737824 311224880 /nfs/dbraw/zinc/22/48/80/311224880.db2.gz VKJOMEDCWTVVFR-LBPRGKRZSA-N 1 0 332.356 2.820 20 5 EFBDRO Cc1c(Br)c(NC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000308660696 311228282 /nfs/dbraw/zinc/22/82/82/311228282.db2.gz YVVWOYJUIHPNLR-UHFFFAOYSA-N 1 0 331.214 2.813 20 5 EFBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312888366 311230784 /nfs/dbraw/zinc/23/07/84/311230784.db2.gz WHHPKXDFGHWJNW-CMPLNLGQSA-N 1 0 340.221 2.854 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313370488 311232157 /nfs/dbraw/zinc/23/21/57/311232157.db2.gz GOCRKGHMXHWTRA-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167382 311241177 /nfs/dbraw/zinc/24/11/77/311241177.db2.gz FGMWJMYAUVCRBD-MLGOLLRUSA-N 1 0 330.388 2.512 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000326233321 311243797 /nfs/dbraw/zinc/24/37/97/311243797.db2.gz VIKPGMZXPJPEIZ-OAHLLOKOSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1c(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000326471125 311244117 /nfs/dbraw/zinc/24/41/17/311244117.db2.gz SUJRUERMHHKOKS-INIZCTEOSA-N 1 0 327.384 3.000 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330516297 311320366 /nfs/dbraw/zinc/32/03/66/311320366.db2.gz IFRSDUOOQGZECC-LSDHHAIUSA-N 1 0 335.448 2.605 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330516294 311320377 /nfs/dbraw/zinc/32/03/77/311320377.db2.gz IFRSDUOOQGZECC-CABCVRRESA-N 1 0 335.448 2.605 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000330581129 311322894 /nfs/dbraw/zinc/32/28/94/311322894.db2.gz QMSUFPOLBGHXCC-UONOGXRCSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000330802506 311335581 /nfs/dbraw/zinc/33/55/81/311335581.db2.gz AUUYQBIZJUHOHC-KBPBESRZSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000330802508 311335806 /nfs/dbraw/zinc/33/58/06/311335806.db2.gz AUUYQBIZJUHOHC-ZIAGYGMSSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000330813860 311336432 /nfs/dbraw/zinc/33/64/32/311336432.db2.gz FOKJKTMIKVWYLH-STQMWFEESA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853521 311338617 /nfs/dbraw/zinc/33/86/17/311338617.db2.gz GQEHMIPBDBKLFA-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330862946 311339674 /nfs/dbraw/zinc/33/96/74/311339674.db2.gz QQFNAEDKLCCCNT-LBPRGKRZSA-N 1 0 337.395 2.780 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000331277136 311364678 /nfs/dbraw/zinc/36/46/78/311364678.db2.gz FWYUMPLVEJJIGU-JDFRZJQESA-N 1 0 349.431 2.713 20 5 EFBDRO CC[NH+]1C[C@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331312057 311366757 /nfs/dbraw/zinc/36/67/57/311366757.db2.gz CAMLROJUZFWJHN-RYUDHWBXSA-N 1 0 325.384 2.657 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331590397 311394440 /nfs/dbraw/zinc/39/44/40/311394440.db2.gz YEQLNRJTKIUYIR-RDJZCZTQSA-N 1 0 347.463 2.739 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000331871478 311428824 /nfs/dbraw/zinc/42/88/24/311428824.db2.gz OQYTXABQVVSSIV-VNQPRFMTSA-N 1 0 346.431 2.624 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331874258 311429323 /nfs/dbraw/zinc/42/93/23/311429323.db2.gz BWPFCIYXUMUBHR-IPYPFGDCSA-N 1 0 349.406 2.923 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000332232469 311475314 /nfs/dbraw/zinc/47/53/14/311475314.db2.gz FCSAOOFYOWXQLI-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n2)n1C ZINC000350930926 311835860 /nfs/dbraw/zinc/83/58/60/311835860.db2.gz UKTIMXPBUVNGAL-GUBZILKMSA-N 1 0 334.380 2.621 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC000360077188 311918790 /nfs/dbraw/zinc/91/87/90/311918790.db2.gz BJDVSCXZZNALNW-ZBFHGGJFSA-N 1 0 343.431 2.518 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397347529 311959861 /nfs/dbraw/zinc/95/98/61/311959861.db2.gz SOXHUOSFZIVOAJ-JFGNBEQYSA-N 1 0 325.796 2.694 20 5 EFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000412083655 311983134 /nfs/dbraw/zinc/98/31/34/311983134.db2.gz UCOHYDBEBDGJGG-LSDHHAIUSA-N 1 0 349.431 2.766 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000412560225 311991601 /nfs/dbraw/zinc/99/16/01/311991601.db2.gz PQRLSBVNXIGOON-UHFFFAOYSA-N 1 0 349.366 2.894 20 5 EFBDRO COc1ccc(CN(C)CC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415111842 312096351 /nfs/dbraw/zinc/09/63/51/312096351.db2.gz RDJPNNWWBNPHHM-UHFFFAOYSA-N 1 0 345.399 2.573 20 5 EFBDRO Cc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415129302 312099550 /nfs/dbraw/zinc/09/95/50/312099550.db2.gz UHZSGFVVJDOMQZ-DLBZAZTESA-N 1 0 329.375 2.969 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000415132262 312099947 /nfs/dbraw/zinc/09/99/47/312099947.db2.gz CHEKBUVRPJRYKC-AWEZNQCLSA-N 1 0 343.383 2.502 20 5 EFBDRO O=C(NCCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415445540 312140065 /nfs/dbraw/zinc/14/00/65/312140065.db2.gz SHRHMQXZSCUYLR-UHFFFAOYSA-N 1 0 346.309 2.877 20 5 EFBDRO [NH3+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000415448457 312140454 /nfs/dbraw/zinc/14/04/54/312140454.db2.gz UYZUKEVLUDPPJK-UHFFFAOYSA-N 1 0 346.309 2.816 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415628945 312158420 /nfs/dbraw/zinc/15/84/20/312158420.db2.gz HDLIHJSCCJFPGP-NWDGAFQWSA-N 1 0 336.367 2.587 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415650612 312162239 /nfs/dbraw/zinc/16/22/39/312162239.db2.gz FUZGTSZRRXSNEB-LBPRGKRZSA-N 1 0 336.392 2.647 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417138955 312194638 /nfs/dbraw/zinc/19/46/38/312194638.db2.gz OOQVVQNLAHTKAR-BPUTZDHNSA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417304161 312206133 /nfs/dbraw/zinc/20/61/33/312206133.db2.gz BMNSDUYNAWMRLC-RHSMWYFYSA-N 1 0 331.416 2.961 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417304163 312206290 /nfs/dbraw/zinc/20/62/90/312206290.db2.gz BMNSDUYNAWMRLC-YOEHRIQHSA-N 1 0 331.416 2.961 20 5 EFBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309768 312206811 /nfs/dbraw/zinc/20/68/11/312206811.db2.gz KANJGFIBQDFCNZ-MLGOLLRUSA-N 1 0 340.445 2.775 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000417308737 312206964 /nfs/dbraw/zinc/20/69/64/312206964.db2.gz IEOPXKQGVFFFDE-SUMWQHHRSA-N 1 0 329.400 2.715 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309771 312207078 /nfs/dbraw/zinc/20/70/78/312207078.db2.gz KAPOYHLJOYUMAV-HYVNUMGLSA-N 1 0 331.416 2.867 20 5 EFBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417311997 312207154 /nfs/dbraw/zinc/20/71/54/312207154.db2.gz MYJNQDFTEREIOJ-PBHICJAKSA-N 1 0 341.415 2.867 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417326298 312209241 /nfs/dbraw/zinc/20/92/41/312209241.db2.gz FYKCXPLUHZIKKZ-IIIMJFFVSA-N 1 0 334.416 2.882 20 5 EFBDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417335798 312210570 /nfs/dbraw/zinc/21/05/70/312210570.db2.gz GSIJSWLCDBEXKM-AEFFLSMTSA-N 1 0 336.432 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COCC1CC1)CCCC2 ZINC000417345117 312211848 /nfs/dbraw/zinc/21/18/48/312211848.db2.gz TVFFPPRLGBRDLV-AEFFLSMTSA-N 1 0 334.416 2.739 20 5 EFBDRO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417710089 312259559 /nfs/dbraw/zinc/25/95/59/312259559.db2.gz CTOQILTYOIZGMQ-RHSMWYFYSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417714301 312260351 /nfs/dbraw/zinc/26/03/51/312260351.db2.gz IGNFWIHPZTUTSO-CQSZACIVSA-N 1 0 348.447 2.686 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417727214 312262184 /nfs/dbraw/zinc/26/21/84/312262184.db2.gz NTMVYRAMCUEXAT-OAHLLOKOSA-N 1 0 336.436 2.590 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417729432 312262470 /nfs/dbraw/zinc/26/24/70/312262470.db2.gz QAEWFCRTIMFOFZ-HOCLYGCPSA-N 1 0 348.447 2.686 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC1=CC[NH2+]CC1 ZINC000417734100 312263185 /nfs/dbraw/zinc/26/31/85/312263185.db2.gz UXLOQGKTICMDLF-UHFFFAOYSA-N 1 0 346.431 2.527 20 5 EFBDRO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417737468 312263534 /nfs/dbraw/zinc/26/35/34/312263534.db2.gz XPHQSIZLNIWFIP-GDBMZVCRSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000417737471 312263701 /nfs/dbraw/zinc/26/37/01/312263701.db2.gz XPHQSIZLNIWFIP-ZBFHGGJFSA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417842050 312279749 /nfs/dbraw/zinc/27/97/49/312279749.db2.gz GLPZTKVNCNDIIA-GZBFAFLISA-N 1 0 334.420 2.652 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417843870 312280130 /nfs/dbraw/zinc/28/01/30/312280130.db2.gz HAUUZJLEBPWOPU-ZDUSSCGKSA-N 1 0 334.420 2.653 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000417848826 312281089 /nfs/dbraw/zinc/28/10/89/312281089.db2.gz KZRPTXNKHUUXIE-ZFWWWQNUSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417851200 312281709 /nfs/dbraw/zinc/28/17/09/312281709.db2.gz NEJRBFLMGOGJLV-DZGCQCFKSA-N 1 0 334.420 2.796 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417851171 312281792 /nfs/dbraw/zinc/28/17/92/312281792.db2.gz NBHAWHMIYBCYIY-DRPJVOAASA-N 1 0 346.431 2.652 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417852855 312282171 /nfs/dbraw/zinc/28/21/71/312282171.db2.gz OMQHQLJMBFZHNB-BJJXKVORSA-N 1 0 334.420 2.815 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000417854103 312282714 /nfs/dbraw/zinc/28/27/14/312282714.db2.gz PQIZFEHZYNNBFC-AWEZNQCLSA-N 1 0 346.431 2.749 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417860461 312283984 /nfs/dbraw/zinc/28/39/84/312283984.db2.gz YEYSTQUFLUMNIW-YUELXQCFSA-N 1 0 332.404 2.500 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417860492 312284027 /nfs/dbraw/zinc/28/40/27/312284027.db2.gz YGYDYKAQQLGGCX-OSAQELSMSA-N 1 0 334.420 2.591 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417943945 312299424 /nfs/dbraw/zinc/29/94/24/312299424.db2.gz PKZOORLEWCQSEC-UHFFFAOYSA-N 1 0 348.447 2.688 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000418079896 312322480 /nfs/dbraw/zinc/32/24/80/312322480.db2.gz LLXAGPQOVBWVDG-HNNXBMFYSA-N 1 0 334.420 2.610 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418228692 312350915 /nfs/dbraw/zinc/35/09/15/312350915.db2.gz FLNYYJKMWQFDMC-LRDDRELGSA-N 1 0 334.420 2.863 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418231741 312351319 /nfs/dbraw/zinc/35/13/19/312351319.db2.gz LNNIKHYFGVRIEN-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239834 312352232 /nfs/dbraw/zinc/35/22/32/312352232.db2.gz YZKKTQKUQLMPJJ-IMJJTQAJSA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356417 312364207 /nfs/dbraw/zinc/36/42/07/312364207.db2.gz CUVFCSVNSQEVRU-GOSISDBHSA-N 1 0 333.432 2.958 20 5 EFBDRO CC[NH+]1CCC(N2CCCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420629962 312376502 /nfs/dbraw/zinc/37/65/02/312376502.db2.gz RTAUAXBHXDLJOF-UHFFFAOYSA-N 1 0 332.448 2.591 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420811173 312395168 /nfs/dbraw/zinc/39/51/68/312395168.db2.gz SUUTYXSCZURLRX-ZFWWWQNUSA-N 1 0 334.420 2.700 20 5 EFBDRO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000420853148 312397807 /nfs/dbraw/zinc/39/78/07/312397807.db2.gz XFWVVDAXTWXEHZ-GRTSSRMGSA-N 1 0 334.420 2.828 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000423468551 312421109 /nfs/dbraw/zinc/42/11/09/312421109.db2.gz BKHBMTSYXSMOOU-HZPDHXFCSA-N 1 0 329.404 2.955 20 5 EFBDRO Cn1ccnc1[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423478770 312422316 /nfs/dbraw/zinc/42/23/16/312422316.db2.gz LKAGKPKQEIDDMJ-RDJZCZTQSA-N 1 0 343.431 2.540 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423528367 312430362 /nfs/dbraw/zinc/43/03/62/312430362.db2.gz NWNKGYZLYJSKKM-BPNCWPANSA-N 1 0 335.429 2.516 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423599620 312436514 /nfs/dbraw/zinc/43/65/14/312436514.db2.gz XMSHHVOEQWBBNM-GHMZBOCLSA-N 1 0 343.836 2.726 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423665781 312440572 /nfs/dbraw/zinc/44/05/72/312440572.db2.gz HPTZUYFTMHUDNM-QGZVFWFLSA-N 1 0 339.395 2.828 20 5 EFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832608 312465798 /nfs/dbraw/zinc/46/57/98/312465798.db2.gz ADYNPBBBLBUSEG-ZDUSSCGKSA-N 1 0 327.812 2.889 20 5 EFBDRO C[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423835793 312466905 /nfs/dbraw/zinc/46/69/05/312466905.db2.gz DUQCZUXDILUOAO-VXGBXAGGSA-N 1 0 339.823 2.890 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423849063 312470625 /nfs/dbraw/zinc/47/06/25/312470625.db2.gz QCZYQOHYFAAGJE-IINYFYTJSA-N 1 0 325.796 2.772 20 5 EFBDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857539 312472974 /nfs/dbraw/zinc/47/29/74/312472974.db2.gz YOQIYGGDLZSUMK-NSHDSACASA-N 1 0 325.796 2.644 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423941753 312485852 /nfs/dbraw/zinc/48/58/52/312485852.db2.gz PGDUDUGGEAOZJR-IAQYHMDHSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423966685 312490963 /nfs/dbraw/zinc/49/09/63/312490963.db2.gz ZXMJWQZJVGOHIA-RNCFNFMXSA-N 1 0 343.811 2.505 20 5 EFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423966686 312490988 /nfs/dbraw/zinc/49/09/88/312490988.db2.gz ZXMJWQZJVGOHIA-TVQRCGJNSA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423966608 312491013 /nfs/dbraw/zinc/49/10/13/312491013.db2.gz ZPYFWKYNBSZFGW-ZDUSSCGKSA-N 1 0 348.428 2.822 20 5 EFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000423974527 312492850 /nfs/dbraw/zinc/49/28/50/312492850.db2.gz AHNWCTHZIFAPML-UHFFFAOYSA-N 1 0 338.414 2.832 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424015298 312496665 /nfs/dbraw/zinc/49/66/65/312496665.db2.gz YTDRCIRYFPCELW-JKSUJKDBSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424041245 312501834 /nfs/dbraw/zinc/50/18/34/312501834.db2.gz NIKLFCLHNUWNGU-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424042313 312501941 /nfs/dbraw/zinc/50/19/41/312501941.db2.gz WEWWFDGYJLWGKB-GOEBONIOSA-N 1 0 343.358 2.609 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424047934 312502941 /nfs/dbraw/zinc/50/29/41/312502941.db2.gz PKNQWMWSXDSHSY-UHFFFAOYSA-N 1 0 334.401 2.576 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424055157 312504474 /nfs/dbraw/zinc/50/44/74/312504474.db2.gz QWMKQAJSDCDJCE-WZRBSPASSA-N 1 0 337.445 2.762 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424070555 312507085 /nfs/dbraw/zinc/50/70/85/312507085.db2.gz CQPIXTYJJODZHG-OAHLLOKOSA-N 1 0 325.368 2.687 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000426915782 312534916 /nfs/dbraw/zinc/53/49/16/312534916.db2.gz HIDSECLTVURSMD-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000426928047 312535536 /nfs/dbraw/zinc/53/55/36/312535536.db2.gz XFXJEUHOVXVODR-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000438570045 312620164 /nfs/dbraw/zinc/62/01/64/312620164.db2.gz PRGMLNRAKGDEEE-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO COC(=O)Cc1ccc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450478273 312697164 /nfs/dbraw/zinc/69/71/64/312697164.db2.gz FGYCSEHQLBNYKU-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cc(N[C@H](C)Cc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450837743 312755843 /nfs/dbraw/zinc/75/58/43/312755843.db2.gz DGSBDYSRMUKLCC-LLVKDONJSA-N 1 0 325.372 2.650 20 5 EFBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450867195 312762115 /nfs/dbraw/zinc/76/21/15/312762115.db2.gz LAYOQLQPKNTJKX-UHFFFAOYSA-N 1 0 347.337 2.791 20 5 EFBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC(=O)N1 ZINC000453582087 312912112 /nfs/dbraw/zinc/91/21/12/312912112.db2.gz AZRYVYZJTLBKNO-QGZVFWFLSA-N 1 0 329.356 2.613 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000456127021 313033133 /nfs/dbraw/zinc/03/31/33/313033133.db2.gz YIZBFWMPOJMKNK-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458163461 313081755 /nfs/dbraw/zinc/08/17/55/313081755.db2.gz JJEWMTCOOHTCKI-GFCCVEGCSA-N 1 0 339.823 2.639 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000471809593 313162017 /nfs/dbraw/zinc/16/20/17/313162017.db2.gz IOCKMKCPEYJDQB-NEPJUHHUSA-N 1 0 332.356 2.819 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000473505985 313198542 /nfs/dbraw/zinc/19/85/42/313198542.db2.gz CJOSABVGWMKCRB-CQSZACIVSA-N 1 0 326.400 2.994 20 5 EFBDRO COc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474875806 313212926 /nfs/dbraw/zinc/21/29/26/313212926.db2.gz CYNMZQPQKQCQBQ-MRXNPFEDSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000474906312 313213620 /nfs/dbraw/zinc/21/36/20/313213620.db2.gz DCPVYVNUKSAZRL-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000476437932 313233198 /nfs/dbraw/zinc/23/31/98/313233198.db2.gz QDTIASMRGKBGFS-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479546786 313270584 /nfs/dbraw/zinc/27/05/84/313270584.db2.gz NMHWQFDCPOFLPP-LBPRGKRZSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000480687058 313283340 /nfs/dbraw/zinc/28/33/40/313283340.db2.gz GAPFCTVHVALUCY-DOMZBBRYSA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000484846809 313323824 /nfs/dbraw/zinc/32/38/24/313323824.db2.gz LMPZQDADODTKER-GUDVDZBRSA-N 1 0 347.459 2.664 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000486830709 313344788 /nfs/dbraw/zinc/34/47/88/313344788.db2.gz ZSNHXVJGPMBQHY-WETOOIFXSA-N 1 0 342.399 2.944 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000487133654 313369681 /nfs/dbraw/zinc/36/96/81/313369681.db2.gz GQUMTWPFSXELNS-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487160384 313371452 /nfs/dbraw/zinc/37/14/52/313371452.db2.gz XZBCFXOGUIFIMG-CJNGLKHVSA-N 1 0 334.420 2.637 20 5 EFBDRO CC[C@H]1CN(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000487181967 313373153 /nfs/dbraw/zinc/37/31/53/313373153.db2.gz SHXULGZGKDMTND-RXBGNRNISA-N 1 0 333.432 2.699 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490669977 313666354 /nfs/dbraw/zinc/66/63/54/313666354.db2.gz YIQUVXBDUYPMSR-FPLPWBNLSA-N 1 0 331.416 2.939 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531661 313760587 /nfs/dbraw/zinc/76/05/87/313760587.db2.gz HOVOWWZOTQQWFK-VIHMKRCTSA-N 1 0 335.379 2.690 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491559891 313764271 /nfs/dbraw/zinc/76/42/71/313764271.db2.gz CAQSPLSOSKSSJB-YERXGYGTSA-N 1 0 347.390 2.834 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491643202 313771967 /nfs/dbraw/zinc/77/19/67/313771967.db2.gz NWFWTRMUZRRSFK-FPLPWBNLSA-N 1 0 331.416 2.989 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491929207 313814901 /nfs/dbraw/zinc/81/49/01/313814901.db2.gz SRJNZPPHKUGIDN-HLRDLLSLSA-N 1 0 331.416 2.798 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000492898933 314169712 /nfs/dbraw/zinc/16/97/12/314169712.db2.gz UXYUWWSOLULGQT-WPKACVTGSA-N 1 0 343.427 2.797 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000492964003 314193983 /nfs/dbraw/zinc/19/39/83/314193983.db2.gz UZYVKOLVECRHQU-KBPBESRZSA-N 1 0 334.420 2.700 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000493000144 314207158 /nfs/dbraw/zinc/20/71/58/314207158.db2.gz WYVQHFMAFALPRL-MDZDMXLPSA-N 1 0 331.416 2.990 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000493135993 314253664 /nfs/dbraw/zinc/25/36/64/314253664.db2.gz XOWUVJJQBSRPSY-AWEZNQCLSA-N 1 0 348.447 2.947 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493170087 314264965 /nfs/dbraw/zinc/26/49/65/314264965.db2.gz HTLGTTVXBMJUSD-DEBLGDTFSA-N 1 0 329.400 2.551 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493192509 314271837 /nfs/dbraw/zinc/27/18/37/314271837.db2.gz DDLVHJZHOKAXHQ-VMPITWQZSA-N 1 0 331.416 2.846 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493265464 314297514 /nfs/dbraw/zinc/29/75/14/314297514.db2.gz SAZWKAMRVLHZHY-ZCGHOXCVSA-N 1 0 347.390 2.738 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493456710 314364009 /nfs/dbraw/zinc/36/40/09/314364009.db2.gz SPUOXTIGODHKBC-FWPCIQOSSA-N 1 0 337.807 2.814 20 5 EFBDRO O=C(C=Cc1c[nH]cn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493548650 314396217 /nfs/dbraw/zinc/39/62/17/314396217.db2.gz GFNMZOLJJRCABV-UPHRSURJSA-N 1 0 340.261 2.666 20 5 EFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494276822 314568804 /nfs/dbraw/zinc/56/88/04/314568804.db2.gz LUPNKTPNBRQBIH-FEUHOPSXSA-N 1 0 341.795 2.732 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000495480928 314729075 /nfs/dbraw/zinc/72/90/75/314729075.db2.gz ODOIYLNIHCAUIS-NEPJUHHUSA-N 1 0 339.367 2.690 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495479603 314729228 /nfs/dbraw/zinc/72/92/28/314729228.db2.gz JAASHGRJLIHBOM-JQWIXIFHSA-N 1 0 327.406 2.613 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CN1CC2(CCCC2)OC1=O ZINC000496530309 315100329 /nfs/dbraw/zinc/10/03/29/315100329.db2.gz VVRZUIACGWXSAG-UHFFFAOYSA-N 1 0 333.388 2.792 20 5 EFBDRO COC(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000496892929 315233786 /nfs/dbraw/zinc/23/37/86/315233786.db2.gz LQJHFMJGNQBNDX-JLHYYAGUSA-N 1 0 333.388 2.819 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000511055068 315512685 /nfs/dbraw/zinc/51/26/85/315512685.db2.gz UXMCLONMBLZLOT-CZUORRHYSA-N 1 0 349.431 2.843 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000515166835 315596718 /nfs/dbraw/zinc/59/67/18/315596718.db2.gz KHGYLPRZVIUFLE-IIAWOOMASA-N 1 0 338.452 2.737 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000516087999 315653138 /nfs/dbraw/zinc/65/31/38/315653138.db2.gz GJLJSWZYOHXGRT-KGLIPLIRSA-N 1 0 334.420 2.840 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000516187379 315660781 /nfs/dbraw/zinc/66/07/81/315660781.db2.gz CCPFGPOCTANEKZ-UONOGXRCSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000516716294 315698898 /nfs/dbraw/zinc/69/88/98/315698898.db2.gz JXEQAEWJOOXQEB-SNVBAGLBSA-N 1 0 326.784 2.854 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517589224 315770842 /nfs/dbraw/zinc/77/08/42/315770842.db2.gz XQYAHBBHCFORLQ-CABCVRRESA-N 1 0 347.415 2.627 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000517802428 315783259 /nfs/dbraw/zinc/78/32/59/315783259.db2.gz XUVUMAQKSFRVHB-KRWDZBQOSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519790209 315912471 /nfs/dbraw/zinc/91/24/71/315912471.db2.gz VRCSTBUGZZSQMH-NVXWUHKLSA-N 1 0 344.411 2.945 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000521957564 316055347 /nfs/dbraw/zinc/05/53/47/316055347.db2.gz UVMBZCCFWXJQPD-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523332655 316117071 /nfs/dbraw/zinc/11/70/71/316117071.db2.gz VTCJYTCMNPECSG-LBPRGKRZSA-N 1 0 337.445 2.777 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523332654 316117108 /nfs/dbraw/zinc/11/71/08/316117108.db2.gz VTCJYTCMNPECSG-GFCCVEGCSA-N 1 0 337.445 2.777 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000524719390 316167888 /nfs/dbraw/zinc/16/78/88/316167888.db2.gz KJTREENSOFQXPB-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000525959166 316263508 /nfs/dbraw/zinc/26/35/08/316263508.db2.gz SRQIPLZVXBMYJW-SUMWQHHRSA-N 1 0 344.415 2.663 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000530359323 317114263 /nfs/dbraw/zinc/11/42/63/317114263.db2.gz BMZQMWHUFQZIRR-JKSUJKDBSA-N 1 0 329.404 2.811 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000530387136 317117946 /nfs/dbraw/zinc/11/79/46/317117946.db2.gz JQQTZVRAWCYNMF-UHFFFAOYSA-N 1 0 336.388 2.672 20 5 EFBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000531342091 317253787 /nfs/dbraw/zinc/25/37/87/317253787.db2.gz CSOOMUVGZBPIFC-HNNXBMFYSA-N 1 0 330.388 2.507 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000531348826 317254508 /nfs/dbraw/zinc/25/45/08/317254508.db2.gz GTCIGOABVOTQRE-UHFFFAOYSA-N 1 0 327.344 2.712 20 5 EFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531729069 317305375 /nfs/dbraw/zinc/30/53/75/317305375.db2.gz SIEIGRSMAUMYOV-HZSPNIEDSA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000531836326 317321395 /nfs/dbraw/zinc/32/13/95/317321395.db2.gz SGMCAQHBFFGXNJ-MRXNPFEDSA-N 1 0 332.448 2.508 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531938164 317334720 /nfs/dbraw/zinc/33/47/20/317334720.db2.gz HRPOARIZTJBGBO-CYBMUJFWSA-N 1 0 331.372 2.866 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000531979458 317338456 /nfs/dbraw/zinc/33/84/56/317338456.db2.gz RXIIVZDAGYGTCH-NILFDRSVSA-N 1 0 335.404 2.715 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)C1CC1 ZINC000532024837 317344589 /nfs/dbraw/zinc/34/45/89/317344589.db2.gz DKTMXDVOKDUJAE-RDTXWAMCSA-N 1 0 344.411 2.950 20 5 EFBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000539225410 317716390 /nfs/dbraw/zinc/71/63/90/317716390.db2.gz LWYARDKZQQIDAZ-CQSZACIVSA-N 1 0 345.399 2.895 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000539333540 317718257 /nfs/dbraw/zinc/71/82/57/317718257.db2.gz FWXXHTIIMYRUDD-UHFFFAOYSA-N 1 0 342.351 2.981 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594040 317782400 /nfs/dbraw/zinc/78/24/00/317782400.db2.gz NDGHIVRANSXNKO-FZMZJTMJSA-N 1 0 334.376 2.966 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000542913097 317833955 /nfs/dbraw/zinc/83/39/55/317833955.db2.gz DJWLNLUMQUZBGA-MRXNPFEDSA-N 1 0 349.431 2.763 20 5 EFBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH2+][C@H](C)c1ccccc1 ZINC000545474679 317926105 /nfs/dbraw/zinc/92/61/05/317926105.db2.gz BSGGPUKGJDDZHM-GDBMZVCRSA-N 1 0 343.431 2.984 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000547798154 318043133 /nfs/dbraw/zinc/04/31/33/318043133.db2.gz WYTJHBAKCSWSBP-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000548403920 318104122 /nfs/dbraw/zinc/10/41/22/318104122.db2.gz WVOQZKARFOQJDK-BBRMVZONSA-N 1 0 333.432 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)nc1 ZINC000548921395 318157189 /nfs/dbraw/zinc/15/71/89/318157189.db2.gz VGMQWZAXZVGVMB-HOCLYGCPSA-N 1 0 346.431 2.968 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549698865 318180204 /nfs/dbraw/zinc/18/02/04/318180204.db2.gz KPIDSFCMXPKBRQ-PBHICJAKSA-N 1 0 330.384 2.728 20 5 EFBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175422 318189274 /nfs/dbraw/zinc/18/92/74/318189274.db2.gz SRCNODSVSCHDIK-MRRJBJDNSA-N 1 0 346.383 2.841 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](n2cncn2)C1 ZINC000551084424 318201371 /nfs/dbraw/zinc/20/13/71/318201371.db2.gz ZVPPPSWEXHPYRX-KBRIMQKVSA-N 1 0 345.403 2.585 20 5 EFBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cccn1 ZINC000551241196 318203816 /nfs/dbraw/zinc/20/38/16/318203816.db2.gz IBZNSYIJECMWKK-LLVKDONJSA-N 1 0 340.330 2.819 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1cccn1 ZINC000551241200 318203829 /nfs/dbraw/zinc/20/38/29/318203829.db2.gz IBZNSYIJECMWKK-NSHDSACASA-N 1 0 340.330 2.819 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000552030989 318238591 /nfs/dbraw/zinc/23/85/91/318238591.db2.gz ZAXAFDJHFNBOJG-YJBOKZPZSA-N 1 0 346.358 2.751 20 5 EFBDRO CSc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000552146656 318245464 /nfs/dbraw/zinc/24/54/64/318245464.db2.gz STHNKAPPQZCGJJ-QWHCGFSZSA-N 1 0 335.429 2.625 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000552939276 318266731 /nfs/dbraw/zinc/26/67/31/318266731.db2.gz FDYDNKIJDRCZDG-DZGCQCFKSA-N 1 0 333.388 2.729 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000554390246 318310739 /nfs/dbraw/zinc/31/07/39/318310739.db2.gz ZUCSMDPJIJDTEE-SOUVJXGZSA-N 1 0 349.431 2.700 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[C@@H](CO)C2)n1 ZINC000554402275 318311229 /nfs/dbraw/zinc/31/12/29/318311229.db2.gz MQTWRIGBULJLSI-JJXSEGSLSA-N 1 0 336.436 2.663 20 5 EFBDRO CC(C)Oc1nc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000565230515 318949691 /nfs/dbraw/zinc/94/96/91/318949691.db2.gz SSZWYPMBEUBLJN-ZDUSSCGKSA-N 1 0 336.436 2.944 20 5 EFBDRO CCc1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565417400 318968616 /nfs/dbraw/zinc/96/86/16/318968616.db2.gz SAMWQMITXIOGGW-QGZVFWFLSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565921648 319014200 /nfs/dbraw/zinc/01/42/00/319014200.db2.gz GOWCGEBOGZWVPH-ZIAGYGMSSA-N 1 0 336.436 2.630 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566007123 319022805 /nfs/dbraw/zinc/02/28/05/319022805.db2.gz GQKGFKIIXMTVPW-LSDHHAIUSA-N 1 0 347.415 2.733 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000566103718 319032793 /nfs/dbraw/zinc/03/27/93/319032793.db2.gz HTJKYQJXJCFLDV-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO CCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000566113378 319034632 /nfs/dbraw/zinc/03/46/32/319034632.db2.gz YSQMICAHFSLXKT-UHFFFAOYSA-N 1 0 335.404 2.720 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CSc2ccccc21 ZINC000566116018 319035077 /nfs/dbraw/zinc/03/50/77/319035077.db2.gz MXBSKAXMMMVRAX-TZMCWYRMSA-N 1 0 346.408 2.771 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000566476048 319081798 /nfs/dbraw/zinc/08/17/98/319081798.db2.gz SGIZUQFWXPONFO-GUYCJALGSA-N 1 0 346.358 2.751 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475083 319081963 /nfs/dbraw/zinc/08/19/63/319081963.db2.gz JTYUFAYKWZKELT-JJRVBVJISA-N 1 0 331.416 2.865 20 5 EFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000566483372 319083100 /nfs/dbraw/zinc/08/31/00/319083100.db2.gz KYMWMOBTFQMKBF-SOLBZPMBSA-N 1 0 342.399 2.826 20 5 EFBDRO Cc1cccc(CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000566556262 319089269 /nfs/dbraw/zinc/08/92/69/319089269.db2.gz JEIRFKVSGYUVNI-UHFFFAOYSA-N 1 0 342.399 2.849 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630364 319096888 /nfs/dbraw/zinc/09/68/88/319096888.db2.gz JUPXWZOQLPDOJQ-SUMWQHHRSA-N 1 0 337.379 2.977 20 5 EFBDRO Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000567869923 319220425 /nfs/dbraw/zinc/22/04/25/319220425.db2.gz MONPMYXZVCKQSL-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000567897627 319223524 /nfs/dbraw/zinc/22/35/24/319223524.db2.gz JXUWHHMXLKESBL-ZDUSSCGKSA-N 1 0 346.387 2.674 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000568462484 319284950 /nfs/dbraw/zinc/28/49/50/319284950.db2.gz AJVGBVROAIWTHX-ZVZYQTTQSA-N 1 0 333.432 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCC3(F)F)CC2)cn1 ZINC000568473728 319286227 /nfs/dbraw/zinc/28/62/27/319286227.db2.gz PZWIGKHYRSOHOO-GFCCVEGCSA-N 1 0 326.347 2.547 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000568500188 319289716 /nfs/dbraw/zinc/28/97/16/319289716.db2.gz OJRAXNWPINQKCZ-AWEZNQCLSA-N 1 0 331.416 2.816 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568531373 319293471 /nfs/dbraw/zinc/29/34/71/319293471.db2.gz CBVVIYBCXZAPIU-ZOWXZIJZSA-N 1 0 338.429 2.528 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000568564506 319295383 /nfs/dbraw/zinc/29/53/83/319295383.db2.gz ZODALYHNJXHVCN-CYBMUJFWSA-N 1 0 345.403 2.970 20 5 EFBDRO CC(C)(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000568579857 319295818 /nfs/dbraw/zinc/29/58/18/319295818.db2.gz DJYKNHUXXKRIIY-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EFBDRO CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000568989903 319337735 /nfs/dbraw/zinc/33/77/35/319337735.db2.gz XXOBAFONXYYHAK-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569237675 319362152 /nfs/dbraw/zinc/36/21/52/319362152.db2.gz GXGVYMFCVXPFCX-INIZCTEOSA-N 1 0 325.368 2.732 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000569246535 319363139 /nfs/dbraw/zinc/36/31/39/319363139.db2.gz GFTMCBOPGMTZAU-KBPBESRZSA-N 1 0 348.447 2.687 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000569414472 319377197 /nfs/dbraw/zinc/37/71/97/319377197.db2.gz ZRAVOAJELDZWTA-UHFFFAOYSA-N 1 0 334.420 2.963 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000569475316 319384799 /nfs/dbraw/zinc/38/47/99/319384799.db2.gz CQXRATWNZKOZSI-RYQLBKOJSA-N 1 0 334.416 2.893 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000569600623 319396501 /nfs/dbraw/zinc/39/65/01/319396501.db2.gz GSRGJXMIRPGHKG-AWEZNQCLSA-N 1 0 347.415 2.875 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000570445036 319477351 /nfs/dbraw/zinc/47/73/51/319477351.db2.gz UNASDASYVMAJDV-BZUAXINKSA-N 1 0 334.416 2.750 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570651562 319498361 /nfs/dbraw/zinc/49/83/61/319498361.db2.gz SCHCADPPWWLWAT-INIZCTEOSA-N 1 0 325.368 2.732 20 5 EFBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570887993 319521602 /nfs/dbraw/zinc/52/16/02/319521602.db2.gz DBXJKPJNZUCZDB-PSASIEDQSA-N 1 0 346.168 2.945 20 5 EFBDRO CCOc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000571039523 319536017 /nfs/dbraw/zinc/53/60/17/319536017.db2.gz BLMJUGJIQNCVPZ-HNNXBMFYSA-N 1 0 346.383 2.523 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573654082 319784964 /nfs/dbraw/zinc/78/49/64/319784964.db2.gz DKNQEVILYRMNDR-HUUCEWRRSA-N 1 0 333.432 2.935 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574951116 319910588 /nfs/dbraw/zinc/91/05/88/319910588.db2.gz YVXCVSZNKMJVRA-CABCVRRESA-N 1 0 333.432 2.889 20 5 EFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000575040165 319918856 /nfs/dbraw/zinc/91/88/56/319918856.db2.gz MLZNGORQSVFIEQ-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000575040166 319918901 /nfs/dbraw/zinc/91/89/01/319918901.db2.gz MLZNGORQSVFIEQ-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000576340015 320006844 /nfs/dbraw/zinc/00/68/44/320006844.db2.gz SFHOBCIEGYIJRE-HRCADAONSA-N 1 0 334.416 2.893 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525941 320023869 /nfs/dbraw/zinc/02/38/69/320023869.db2.gz MYTBVMHFGZAJSH-SWLSCSKDSA-N 1 0 347.371 2.882 20 5 EFBDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000576665100 320036740 /nfs/dbraw/zinc/03/67/40/320036740.db2.gz MJWWUPCEEYZUTJ-AWEZNQCLSA-N 1 0 334.347 2.572 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576695891 320039881 /nfs/dbraw/zinc/03/98/81/320039881.db2.gz QAAJVPKJTOKFHO-CYBMUJFWSA-N 1 0 333.310 2.717 20 5 EFBDRO C=Cc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000578187784 320181626 /nfs/dbraw/zinc/18/16/26/320181626.db2.gz WPWWMZIYJCOJPI-QGZVFWFLSA-N 1 0 342.395 2.810 20 5 EFBDRO Cc1ccc(NC(=O)CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000578436171 320206034 /nfs/dbraw/zinc/20/60/34/320206034.db2.gz DNZDXUGTBILRRM-UHFFFAOYSA-N 1 0 328.372 2.725 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578725747 320232522 /nfs/dbraw/zinc/23/25/22/320232522.db2.gz VWOLWCVFKMEGQE-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO CCOc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000578733855 320233738 /nfs/dbraw/zinc/23/37/38/320233738.db2.gz OSWOQWZGIFGZKB-UHFFFAOYSA-N 1 0 332.356 2.868 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cccc1Cl ZINC000181733422 323247380 /nfs/dbraw/zinc/24/73/80/323247380.db2.gz ULUSQSLRGCPLCW-JTQLQIEISA-N 1 0 339.754 2.900 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181839039 323252929 /nfs/dbraw/zinc/25/29/29/323252929.db2.gz QAGBELNOBDRZBP-LBPRGKRZSA-N 1 0 331.416 2.859 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccco2)cc1[N+](=O)[O-] ZINC000181840260 323253124 /nfs/dbraw/zinc/25/31/24/323253124.db2.gz PZRHUJJGQSGNLR-HIFRSBDPSA-N 1 0 334.372 2.725 20 5 EFBDRO C[C@H]1CCC[C@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181909915 323255201 /nfs/dbraw/zinc/25/52/01/323255201.db2.gz LYVBQNICJUTCIA-KBPBESRZSA-N 1 0 340.445 2.879 20 5 EFBDRO C[N@H+](CCc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181925316 323255765 /nfs/dbraw/zinc/25/57/65/323255765.db2.gz FXGANUNYNHSZGK-ZDUSSCGKSA-N 1 0 336.413 2.571 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000182250964 323272332 /nfs/dbraw/zinc/27/23/32/323272332.db2.gz XPKOZHXVEQHYQP-JSGCOSHPSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000182281458 323274309 /nfs/dbraw/zinc/27/43/09/323274309.db2.gz RCRCGOYTIZJTHW-CJNGLKHVSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000182336678 323277985 /nfs/dbraw/zinc/27/79/85/323277985.db2.gz KQCHZXKOQSXQQC-HEHGZKQESA-N 1 0 335.404 2.777 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000182336573 323278185 /nfs/dbraw/zinc/27/81/85/323278185.db2.gz YMAIZHUKCSECER-ZBFHGGJFSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182367204 323279850 /nfs/dbraw/zinc/27/98/50/323279850.db2.gz JBXSDEGMBBMWMN-FZMZJTMJSA-N 1 0 341.795 2.734 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182403439 323282323 /nfs/dbraw/zinc/28/23/23/323282323.db2.gz XOIBCFJRHFMZSH-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000182953307 323309460 /nfs/dbraw/zinc/30/94/60/323309460.db2.gz RURJHTQSFLLRPA-VXGBXAGGSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000182953280 323309528 /nfs/dbraw/zinc/30/95/28/323309528.db2.gz RURJHTQSFLLRPA-RYUDHWBXSA-N 1 0 335.404 2.956 20 5 EFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183180306 323320808 /nfs/dbraw/zinc/32/08/08/323320808.db2.gz PUCORMMMNUJBDT-JTQLQIEISA-N 1 0 346.330 2.970 20 5 EFBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184192168 323358555 /nfs/dbraw/zinc/35/85/55/323358555.db2.gz DGUUDFIJOFYVJY-MKBNYLNASA-N 1 0 337.395 2.636 20 5 EFBDRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184763639 323374219 /nfs/dbraw/zinc/37/42/19/323374219.db2.gz LBSPJLHNMCQJTF-ZDUSSCGKSA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000185033130 323380816 /nfs/dbraw/zinc/38/08/16/323380816.db2.gz RXFDUCRVFNJZLG-STQMWFEESA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185193968 323386278 /nfs/dbraw/zinc/38/62/78/323386278.db2.gz KZNLTQULDJBHSO-LBPRGKRZSA-N 1 0 337.395 2.828 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C2CC2)CC1 ZINC000192839491 323482475 /nfs/dbraw/zinc/48/24/75/323482475.db2.gz SFHWGOIQXZYIQK-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000296676770 323575662 /nfs/dbraw/zinc/57/56/62/323575662.db2.gz HPNPOPDOYOPJCW-UHFFFAOYSA-N 1 0 327.812 2.970 20 5 EFBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c(Br)cc1[N+](=O)[O-] ZINC000380390419 323741183 /nfs/dbraw/zinc/74/11/83/323741183.db2.gz YFIYYYVKOAZDTF-CQSZACIVSA-N 1 0 340.221 2.856 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000386143255 323759244 /nfs/dbraw/zinc/75/92/44/323759244.db2.gz RHWLCUKJXXGKLI-CYBMUJFWSA-N 1 0 343.221 2.998 20 5 EFBDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859905 323826528 /nfs/dbraw/zinc/82/65/28/323826528.db2.gz UXZISTPJJAIWSL-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C(CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC000579702128 324014233 /nfs/dbraw/zinc/01/42/33/324014233.db2.gz QBROJRIUYIJUCK-UHFFFAOYSA-N 1 0 342.399 2.931 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000579812839 324036282 /nfs/dbraw/zinc/03/62/82/324036282.db2.gz KYNUEJAXYPBXQX-OAHLLOKOSA-N 1 0 336.775 2.778 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000580590458 324195230 /nfs/dbraw/zinc/19/52/30/324195230.db2.gz CEQKXEUGQCQQES-BFHYXJOUSA-N 1 0 335.404 2.574 20 5 EFBDRO C[NH+](C)C[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000581670704 324434328 /nfs/dbraw/zinc/43/43/28/324434328.db2.gz PGPVYDNFAOTLLT-ZDUSSCGKSA-N 1 0 334.807 2.822 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000581954100 324489049 /nfs/dbraw/zinc/48/90/49/324489049.db2.gz JNRHLSIOQGIREH-MRXNPFEDSA-N 1 0 326.400 2.947 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000582462322 324597800 /nfs/dbraw/zinc/59/78/00/324597800.db2.gz XHGMBWKDJWMMKH-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO C[C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000583398549 324804645 /nfs/dbraw/zinc/80/46/45/324804645.db2.gz YUCNOSAQTJKABK-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137441529 473206039 /nfs/dbraw/zinc/20/60/39/473206039.db2.gz ADMOBDGBBURAIY-YOEHRIQHSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137441578 473206536 /nfs/dbraw/zinc/20/65/36/473206536.db2.gz ADMOBDGBBURAIY-RHSMWYFYSA-N 1 0 339.395 2.988 20 5 EFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCc2ccccc2C1 ZINC000025897573 472116879 /nfs/dbraw/zinc/11/68/79/472116879.db2.gz GBERFTMIRPQFOK-UHFFFAOYSA-N 1 0 343.383 2.755 20 5 EFBDRO CCC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090182680 472607179 /nfs/dbraw/zinc/60/71/79/472607179.db2.gz ORBKPBPGZFIPDD-OAHLLOKOSA-N 1 0 340.445 2.850 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000095462552 473208528 /nfs/dbraw/zinc/20/85/28/473208528.db2.gz UXIVTAKOPLWSLD-INIZCTEOSA-N 1 0 343.383 2.555 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124101380 473211382 /nfs/dbraw/zinc/21/13/82/473211382.db2.gz PIOFEEYNWSCIKH-OAHLLOKOSA-N 1 0 339.395 2.758 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124101126 473211402 /nfs/dbraw/zinc/21/14/02/473211402.db2.gz PIOFEEYNWSCIKH-HNNXBMFYSA-N 1 0 339.395 2.758 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081567666 473220850 /nfs/dbraw/zinc/22/08/50/473220850.db2.gz FXAAHAIXQBIVKZ-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000161339953 473227183 /nfs/dbraw/zinc/22/71/83/473227183.db2.gz IFKMYKGPTYZWPJ-VHSXEESVSA-N 1 0 331.294 2.613 20 5 EFBDRO C[C@H]1OCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000139126484 473227447 /nfs/dbraw/zinc/22/74/47/473227447.db2.gz JJBSJDOJJMFJPA-CHWSQXEVSA-N 1 0 331.372 2.902 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000161333807 473227487 /nfs/dbraw/zinc/22/74/87/473227487.db2.gz UXTMYTPWJYPKNF-GJZGRUSLSA-N 1 0 349.434 2.541 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161396257 473232849 /nfs/dbraw/zinc/23/28/49/473232849.db2.gz FCVWAJVPVPZMSI-AWEZNQCLSA-N 1 0 327.388 2.512 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000124385232 473240318 /nfs/dbraw/zinc/24/03/18/473240318.db2.gz GFTZVFLLPDNOLQ-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000161673780 473252170 /nfs/dbraw/zinc/25/21/70/473252170.db2.gz OUWQLAXZSYIRBD-PSASIEDQSA-N 1 0 329.198 2.647 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000141965049 473260778 /nfs/dbraw/zinc/26/07/78/473260778.db2.gz NJIFGZHSOZBXDF-LBPRGKRZSA-N 1 0 335.429 2.627 20 5 EFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112379551 473262681 /nfs/dbraw/zinc/26/26/81/473262681.db2.gz RNSFVFKKHHOPGL-FZKQIMNGSA-N 1 0 346.431 2.882 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000530789353 468008837 /nfs/dbraw/zinc/00/88/37/468008837.db2.gz CUXUAZODMNZUGG-UHFFFAOYSA-N 1 0 337.339 2.747 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000143551068 473275845 /nfs/dbraw/zinc/27/58/45/473275845.db2.gz DJPWLXMBTBRNBI-UHFFFAOYSA-N 1 0 348.428 2.626 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000081941379 473276217 /nfs/dbraw/zinc/27/62/17/473276217.db2.gz CUEGLZNBRRAMIP-SECBINFHSA-N 1 0 329.198 2.506 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000081941355 473276391 /nfs/dbraw/zinc/27/63/91/473276391.db2.gz GUZWNNRFQLMBRR-NWDGAFQWSA-N 1 0 341.209 2.791 20 5 EFBDRO C[C@@H](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184941508 473279731 /nfs/dbraw/zinc/27/97/31/473279731.db2.gz AZDSYHPWNIKFMV-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161942399 473284609 /nfs/dbraw/zinc/28/46/09/473284609.db2.gz WCSHYZIRWYAISM-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000124695518 473286920 /nfs/dbraw/zinc/28/69/20/473286920.db2.gz MNVKTDKLTDHCTI-ZDUSSCGKSA-N 1 0 335.408 2.623 20 5 EFBDRO C[C@H]1CSCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000190473498 473287601 /nfs/dbraw/zinc/28/76/01/473287601.db2.gz LXCHDJLAWXLELM-LLVKDONJSA-N 1 0 341.408 2.747 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)CCc2ccccc2)c1 ZINC000112698443 473295933 /nfs/dbraw/zinc/29/59/33/473295933.db2.gz GYHNAMJURXPGOA-UHFFFAOYSA-N 1 0 330.384 2.511 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000171201883 473319243 /nfs/dbraw/zinc/31/92/43/473319243.db2.gz INUHJTKCBHZAAV-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[NH+](CC)CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000083093293 473321132 /nfs/dbraw/zinc/32/11/32/473321132.db2.gz VYUSVEZTCZIKCH-OAHLLOKOSA-N 1 0 337.445 2.775 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162259823 473323317 /nfs/dbraw/zinc/32/33/17/473323317.db2.gz NUWRHZSXVPYYMR-MFKMUULPSA-N 1 0 343.811 2.572 20 5 EFBDRO CSc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000171211862 473323997 /nfs/dbraw/zinc/32/39/97/473323997.db2.gz VCMXTIHNRABDFP-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)CCc3ccccc3)nc2c1 ZINC000083172262 473328066 /nfs/dbraw/zinc/32/80/66/473328066.db2.gz ZMIUHEQNKZOBFY-UHFFFAOYSA-N 1 0 341.367 2.773 20 5 EFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cn1 ZINC000083216963 473333912 /nfs/dbraw/zinc/33/39/12/473333912.db2.gz XOKBBCUBBPLVTL-LBPRGKRZSA-N 1 0 341.371 2.534 20 5 EFBDRO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1[N+](=O)[O-] ZINC000190617617 473334986 /nfs/dbraw/zinc/33/49/86/473334986.db2.gz XAEDXXXTOPKPLZ-UHFFFAOYSA-N 1 0 345.403 2.974 20 5 EFBDRO COC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112989837 473341253 /nfs/dbraw/zinc/34/12/53/473341253.db2.gz BUHHXUTZKSJUHL-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO COCC[N@H+](C)CCCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000162525847 473352337 /nfs/dbraw/zinc/35/23/37/473352337.db2.gz DDWFRKKONRGRLF-UHFFFAOYSA-N 1 0 336.436 2.565 20 5 EFBDRO C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185186844 473355008 /nfs/dbraw/zinc/35/50/08/473355008.db2.gz HNJIVEYHRFAXAP-LBPRGKRZSA-N 1 0 337.395 2.638 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150798340 473357913 /nfs/dbraw/zinc/35/79/13/473357913.db2.gz NHAUJLDIEHXWFD-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171449098 473390979 /nfs/dbraw/zinc/39/09/79/473390979.db2.gz OQBSRSLYHRVZEB-CYBMUJFWSA-N 1 0 335.429 2.627 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171448067 473391087 /nfs/dbraw/zinc/39/10/87/473391087.db2.gz PVFRZGKALOVDPS-UKRRQHHQSA-N 1 0 349.456 2.772 20 5 EFBDRO COc1cc(-c2nc(C3([NH3+])CCCCC3)no2)c([N+](=O)[O-])cc1OC ZINC000424334900 477374482 /nfs/dbraw/zinc/37/44/82/477374482.db2.gz GOSKYHIBFNPLJO-UHFFFAOYSA-N 1 0 348.359 2.780 20 5 EFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411625925 477298509 /nfs/dbraw/zinc/29/85/09/477298509.db2.gz XYFBQAIOARMJNJ-GOSISDBHSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421383347 478066119 /nfs/dbraw/zinc/06/61/19/478066119.db2.gz CWPZJSZNCQBROJ-CQSZACIVSA-N 1 0 329.356 2.565 20 5 EFBDRO C[C@@H]1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000602578186 479407073 /nfs/dbraw/zinc/40/70/73/479407073.db2.gz KSCFAGDENZZKLZ-CHWSQXEVSA-N 1 0 334.420 2.504 20 5 EFBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593673216 479418441 /nfs/dbraw/zinc/41/84/41/479418441.db2.gz BYIMPOPRCSGZSX-CHWSQXEVSA-N 1 0 348.424 2.905 20 5 EFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000619845120 479894577 /nfs/dbraw/zinc/89/45/77/479894577.db2.gz QKUFTOCDQIAWDH-LBPRGKRZSA-N 1 0 328.434 2.640 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)C(F)(F)F)o1 ZINC000616487208 479923572 /nfs/dbraw/zinc/92/35/72/479923572.db2.gz CXHLPPDOOYEJDD-CYBMUJFWSA-N 1 0 330.262 2.868 20 5 EFBDRO CNc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000006992954 471582530 /nfs/dbraw/zinc/58/25/30/471582530.db2.gz JFNVQIKTYBAQHD-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO CC(C)[NH+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000015131524 471891307 /nfs/dbraw/zinc/89/13/07/471891307.db2.gz FIUUIIWVXHKIEH-UHFFFAOYSA-N 1 0 343.449 2.529 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599682 471942740 /nfs/dbraw/zinc/94/27/40/471942740.db2.gz NBTMSZDEFJWEBM-MRXNPFEDSA-N 1 0 343.383 2.636 20 5 EFBDRO Cc1c(C(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000053348892 471996286 /nfs/dbraw/zinc/99/62/86/471996286.db2.gz BYPRBIRREIIKRA-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000067265244 472011614 /nfs/dbraw/zinc/01/16/14/472011614.db2.gz QXSKMNITQYUHCX-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000067265441 472011636 /nfs/dbraw/zinc/01/16/36/472011636.db2.gz FMVXBRICAOWHMH-VOTSOKGWSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCC(C)CC1 ZINC000067269787 472012558 /nfs/dbraw/zinc/01/25/58/472012558.db2.gz YQJHAYKKFMDKDV-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CNC(=O)c1ccc(NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000053572085 472020417 /nfs/dbraw/zinc/02/04/17/472020417.db2.gz FRTXKYFKOYYAPW-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO CNC(=O)c1ccc(NCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053572001 472020623 /nfs/dbraw/zinc/02/06/23/472020623.db2.gz SWABSTIHPQDJGY-AWEZNQCLSA-N 1 0 348.447 2.878 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053577089 472021428 /nfs/dbraw/zinc/02/14/28/472021428.db2.gz ICJNFNXKLKLFBZ-FZKQIMNGSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1noc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053618194 472024459 /nfs/dbraw/zinc/02/44/59/472024459.db2.gz MKRLNNATTUZQTO-UHFFFAOYSA-N 1 0 346.387 2.935 20 5 EFBDRO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000039982519 472026814 /nfs/dbraw/zinc/02/68/14/472026814.db2.gz IBZPZBIFGRKQPI-HOCLYGCPSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000039982523 472026944 /nfs/dbraw/zinc/02/69/44/472026944.db2.gz IBZPZBIFGRKQPI-GOEBONIOSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067383216 472027092 /nfs/dbraw/zinc/02/70/92/472027092.db2.gz VTVJGFJLUJOJIR-QGZVFWFLSA-N 1 0 342.399 2.717 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713432 472039652 /nfs/dbraw/zinc/03/96/52/472039652.db2.gz GLBOUYLASIZILU-JTQLQIEISA-N 1 0 343.225 2.895 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040713405 472040179 /nfs/dbraw/zinc/04/01/79/472040179.db2.gz FYOBZAWLFMRSPG-SECBINFHSA-N 1 0 341.209 2.649 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107860 472048413 /nfs/dbraw/zinc/04/84/13/472048413.db2.gz YUWOQONSOZHESG-MRXNPFEDSA-N 1 0 346.362 2.548 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000024582752 472059964 /nfs/dbraw/zinc/05/99/64/472059964.db2.gz DDGLUTKBAWGHHE-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO CNc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000054287070 472073880 /nfs/dbraw/zinc/07/38/80/472073880.db2.gz UKGSSLSYUKHPKP-CYBMUJFWSA-N 1 0 348.447 2.877 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000054760922 472113202 /nfs/dbraw/zinc/11/32/02/472113202.db2.gz BDWKEWAXTAOJOB-AWEZNQCLSA-N 1 0 337.376 2.828 20 5 EFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCOCC1 ZINC000026143755 472124604 /nfs/dbraw/zinc/12/46/04/472124604.db2.gz VAAPAFNLKBDXOW-GOSISDBHSA-N 1 0 344.415 2.912 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161054 472125743 /nfs/dbraw/zinc/12/57/43/472125743.db2.gz JOSZTTGEWFEWEJ-BETUJISGSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000068084896 472132445 /nfs/dbraw/zinc/13/24/45/472132445.db2.gz WBTWHHAHTQMCIX-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000026449886 472137131 /nfs/dbraw/zinc/13/71/31/472137131.db2.gz XQFINIFIESCIRS-UHFFFAOYSA-N 1 0 343.811 2.791 20 5 EFBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000026473476 472138652 /nfs/dbraw/zinc/13/86/52/472138652.db2.gz HGAOXZYRGDGITK-NWDGAFQWSA-N 1 0 349.387 2.773 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000068133649 472140302 /nfs/dbraw/zinc/14/03/02/472140302.db2.gz XYPWEZLTRJMJTR-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068135280 472140415 /nfs/dbraw/zinc/14/04/15/472140415.db2.gz AABUCPAYCUAMQY-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000068134768 472140629 /nfs/dbraw/zinc/14/06/29/472140629.db2.gz PEYGKFOTFCAFAT-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712584 472144873 /nfs/dbraw/zinc/14/48/73/472144873.db2.gz GAPXALWAIZOPHH-KRWDZBQOSA-N 1 0 330.384 2.775 20 5 EFBDRO Cc1ccccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712102 472145966 /nfs/dbraw/zinc/14/59/66/472145966.db2.gz BTTGMSZZRQXCOP-QGZVFWFLSA-N 1 0 330.384 2.775 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075537100 472152448 /nfs/dbraw/zinc/15/24/48/472152448.db2.gz HVZARSBMGSHYNB-HNNXBMFYSA-N 1 0 332.404 2.981 20 5 EFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042699351 472160507 /nfs/dbraw/zinc/16/05/07/472160507.db2.gz XOGFEMPBCLYMJW-UHFFFAOYSA-N 1 0 346.387 2.896 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000068341921 472172622 /nfs/dbraw/zinc/17/26/22/472172622.db2.gz RQRKAUGGWYPPPG-JSGCOSHPSA-N 1 0 337.445 2.628 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000084380093 472173859 /nfs/dbraw/zinc/17/38/59/472173859.db2.gz UFZYOOPNNCFIKD-IJDCCNJMSA-N 1 0 329.400 2.695 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000075767230 472195089 /nfs/dbraw/zinc/19/50/89/472195089.db2.gz MYIRKUNNIQEVAQ-QGZVFWFLSA-N 1 0 348.403 2.580 20 5 EFBDRO Cc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000068517136 472204120 /nfs/dbraw/zinc/20/41/20/472204120.db2.gz UHKCLPGHUXEUDP-UHFFFAOYSA-N 1 0 348.447 2.727 20 5 EFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341765 472224944 /nfs/dbraw/zinc/22/49/44/472224944.db2.gz IWNFIPZKDPTPPS-SNVBAGLBSA-N 1 0 338.795 2.854 20 5 EFBDRO CCOC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897407 472252557 /nfs/dbraw/zinc/25/25/57/472252557.db2.gz RXYHJBSVOTWWGL-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCCC1 ZINC000029166702 472256679 /nfs/dbraw/zinc/25/66/79/472256679.db2.gz ASZDWPWHMRHLBB-UHFFFAOYSA-N 1 0 349.387 2.917 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179161 472257905 /nfs/dbraw/zinc/25/79/05/472257905.db2.gz BKRRQUBTWMMEAW-INIZCTEOSA-N 1 0 342.399 2.500 20 5 EFBDRO C[NH+]1CCN(C[C@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910713 472264001 /nfs/dbraw/zinc/26/40/01/472264001.db2.gz GXCOQXCKXDRPFF-SFHVURJKSA-N 1 0 340.427 2.995 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000068937310 472268324 /nfs/dbraw/zinc/26/83/24/472268324.db2.gz NKUPZQXLTVNQLV-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCCC1 ZINC000029523845 472279021 /nfs/dbraw/zinc/27/90/21/472279021.db2.gz HXAPSIAYEUECPI-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000069044835 472283600 /nfs/dbraw/zinc/28/36/00/472283600.db2.gz BLGGPFCUOJHJRF-OJXHRBAXSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029607057 472284962 /nfs/dbraw/zinc/28/49/62/472284962.db2.gz CRIWKXOBTRTGDJ-LBPRGKRZSA-N 1 0 337.445 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000029618856 472285766 /nfs/dbraw/zinc/28/57/66/472285766.db2.gz FMAACWYYACQBEN-UHFFFAOYSA-N 1 0 344.390 2.968 20 5 EFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000029726171 472292442 /nfs/dbraw/zinc/29/24/42/472292442.db2.gz DBNDCBLUMLXKJM-LBPRGKRZSA-N 1 0 329.400 2.747 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCCC1 ZINC000087007683 472297709 /nfs/dbraw/zinc/29/77/09/472297709.db2.gz WVVBOOAIJDCBAK-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000069143719 472298351 /nfs/dbraw/zinc/29/83/51/472298351.db2.gz NYWFACUFXDRWBJ-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@H+](CCCNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000044355634 472301711 /nfs/dbraw/zinc/30/17/11/472301711.db2.gz KNYABWBPFCATHV-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056326972 472305327 /nfs/dbraw/zinc/30/53/27/472305327.db2.gz JLFVJCVHVMROAA-UHFFFAOYSA-N 1 0 328.372 2.814 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000076249794 472307108 /nfs/dbraw/zinc/30/71/08/472307108.db2.gz PBOLEXJXWWNOFF-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000087112898 472307546 /nfs/dbraw/zinc/30/75/46/472307546.db2.gz SEDKTOCUFMVBPQ-GJZGRUSLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[NH+]1CCC(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000044526196 472313571 /nfs/dbraw/zinc/31/35/71/472313571.db2.gz SYNXJEWWVQBLCG-UHFFFAOYSA-N 1 0 329.198 2.506 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000044537805 472315480 /nfs/dbraw/zinc/31/54/80/472315480.db2.gz RSPSDKRGARGFLM-SECBINFHSA-N 1 0 329.198 2.506 20 5 EFBDRO COc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000044583104 472320265 /nfs/dbraw/zinc/32/02/65/472320265.db2.gz JNESXXTXSGILDB-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087356620 472327922 /nfs/dbraw/zinc/32/79/22/472327922.db2.gz WBVJEGDMSCBIOG-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO COc1ccc(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000069368617 472330268 /nfs/dbraw/zinc/33/02/68/472330268.db2.gz ORHXMISBXXMCPP-AWEZNQCLSA-N 1 0 349.431 2.527 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000087401216 472333629 /nfs/dbraw/zinc/33/36/29/472333629.db2.gz HJTVOKPUMIQTMP-KRWDZBQOSA-N 1 0 345.443 2.862 20 5 EFBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076407322 472341105 /nfs/dbraw/zinc/34/11/05/472341105.db2.gz BIYCJXYBTBZQBH-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000044868984 472345840 /nfs/dbraw/zinc/34/58/40/472345840.db2.gz COYJMMYGUIZTSC-CQSZACIVSA-N 1 0 333.413 2.559 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000088250489 472352435 /nfs/dbraw/zinc/35/24/35/472352435.db2.gz MJDPOZCQIISHSW-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076490948 472355867 /nfs/dbraw/zinc/35/58/67/472355867.db2.gz FXLCLCRVSGIPDT-KPBXEYHCSA-N 1 0 331.416 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)cc1 ZINC000044977541 472362071 /nfs/dbraw/zinc/36/20/71/472362071.db2.gz AHVSSHCOWMRGSK-GFCCVEGCSA-N 1 0 344.371 2.646 20 5 EFBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000076579845 472371037 /nfs/dbraw/zinc/37/10/37/472371037.db2.gz WOIGQRRXQGLQOH-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057041934 472377657 /nfs/dbraw/zinc/37/76/57/472377657.db2.gz TXRYATYMTNMAQK-CQSZACIVSA-N 1 0 334.420 2.516 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000088716889 472381624 /nfs/dbraw/zinc/38/16/24/472381624.db2.gz ABQUUMSZDPIQKW-CALCHBBNSA-N 1 0 346.475 2.898 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000031653779 472386902 /nfs/dbraw/zinc/38/69/02/472386902.db2.gz VGQDUZPIYZCNBB-NSHDSACASA-N 1 0 333.388 2.805 20 5 EFBDRO CC(C)COC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089147488 472390850 /nfs/dbraw/zinc/39/08/50/472390850.db2.gz PXNCQMVFKQPZHT-UHFFFAOYSA-N 1 0 349.431 2.984 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388727 479984598 /nfs/dbraw/zinc/98/45/98/479984598.db2.gz CUFRYTQCJZLMQH-WBMJQRKESA-N 1 0 341.367 2.990 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000154186728 472399859 /nfs/dbraw/zinc/39/98/59/472399859.db2.gz NTHINUZLJYDZLM-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000154236656 472405663 /nfs/dbraw/zinc/40/56/63/472405663.db2.gz WPJIFUKSXAUGON-PHIMTYICSA-N 1 0 346.412 2.541 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089312489 472410195 /nfs/dbraw/zinc/41/01/95/472410195.db2.gz PAIIHWVLQJMBLP-MRXNPFEDSA-N 1 0 345.443 2.908 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000154283101 472411230 /nfs/dbraw/zinc/41/12/30/472411230.db2.gz TZBNZSDUOUUWTJ-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000045463056 472412627 /nfs/dbraw/zinc/41/26/27/472412627.db2.gz FUTHEISMTKTAGT-UHFFFAOYSA-N 1 0 348.447 2.857 20 5 EFBDRO NC(=O)c1csc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000154321618 472417998 /nfs/dbraw/zinc/41/79/98/472417998.db2.gz MAUXLPLBBUTPCZ-UHFFFAOYSA-N 1 0 331.397 2.920 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000128213433 472419779 /nfs/dbraw/zinc/41/97/79/472419779.db2.gz IRJRLBZOIGWGLL-NWDGAFQWSA-N 1 0 329.194 2.606 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000128212978 472420001 /nfs/dbraw/zinc/42/00/01/472420001.db2.gz IRJRLBZOIGWGLL-RYUDHWBXSA-N 1 0 329.194 2.606 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000057376035 472423693 /nfs/dbraw/zinc/42/36/93/472423693.db2.gz PXYLWDLOQXZSHC-INIZCTEOSA-N 1 0 337.395 2.974 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000154414377 472430631 /nfs/dbraw/zinc/43/06/31/472430631.db2.gz JBNBWSFGILUZOV-MOPGFXCFSA-N 1 0 342.395 2.610 20 5 EFBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000128485376 472457517 /nfs/dbraw/zinc/45/75/17/472457517.db2.gz BGLCOGLFNCWSRD-BLLLJJGKSA-N 1 0 346.362 2.583 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032732674 472459201 /nfs/dbraw/zinc/45/92/01/472459201.db2.gz IYKYBGTZMXCUKQ-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000069911649 472463648 /nfs/dbraw/zinc/46/36/48/472463648.db2.gz PXDAYZRTIUUDDN-INIZCTEOSA-N 1 0 336.413 2.810 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000128575844 472470328 /nfs/dbraw/zinc/47/03/28/472470328.db2.gz UJZAQUIMQWHSKA-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117806927 472480371 /nfs/dbraw/zinc/48/03/71/472480371.db2.gz ZHYARKJXOYYIKR-GFCCVEGCSA-N 1 0 339.823 2.591 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000033083836 472495171 /nfs/dbraw/zinc/49/51/71/472495171.db2.gz DAKFCPZCGYDSKQ-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000118792238 472508719 /nfs/dbraw/zinc/50/87/19/472508719.db2.gz INBOQPSSQSUEMI-SNVBAGLBSA-N 1 0 326.784 2.664 20 5 EFBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000118825546 472509459 /nfs/dbraw/zinc/50/94/59/472509459.db2.gz BKSDSYVHMBYNJW-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000077378286 472515100 /nfs/dbraw/zinc/51/51/00/472515100.db2.gz QAHVJFJJWJQQGC-UHFFFAOYSA-N 1 0 341.367 2.821 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000058268438 472531018 /nfs/dbraw/zinc/53/10/18/472531018.db2.gz DKSMRIDYASPFAN-UHFFFAOYSA-N 1 0 332.429 2.806 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](CCO)C3)co2)cc1 ZINC000089893168 472537125 /nfs/dbraw/zinc/53/71/25/472537125.db2.gz CEMXQSHHPAEKPF-CYBMUJFWSA-N 1 0 331.372 2.844 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897937 472538335 /nfs/dbraw/zinc/53/83/35/472538335.db2.gz ICWWGAALHKLGGX-UHFFFAOYSA-N 1 0 330.388 2.777 20 5 EFBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000101651876 472547338 /nfs/dbraw/zinc/54/73/38/472547338.db2.gz LDZUJHXQTIEFFG-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000090032732 472583442 /nfs/dbraw/zinc/58/34/42/472583442.db2.gz PIIKVGRCDKFFPD-GFCCVEGCSA-N 1 0 345.403 2.813 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000102636844 472585865 /nfs/dbraw/zinc/58/58/65/472585865.db2.gz RAEITGBQNSTUEQ-NSHDSACASA-N 1 0 340.399 2.556 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000102676862 472588128 /nfs/dbraw/zinc/58/81/28/472588128.db2.gz FJTPBWOQIZPFJF-LLVKDONJSA-N 1 0 343.339 2.613 20 5 EFBDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068427 472589385 /nfs/dbraw/zinc/58/93/85/472589385.db2.gz BMGYDTVNASEWBL-STQMWFEESA-N 1 0 345.321 2.799 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130239710 472591579 /nfs/dbraw/zinc/59/15/79/472591579.db2.gz HMYNVRYAYFTOBW-UHFFFAOYSA-N 1 0 346.431 2.665 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668946 472592073 /nfs/dbraw/zinc/59/20/73/472592073.db2.gz VIKFPIXMPRQGOI-MAUKXSAKSA-N 1 0 334.464 2.662 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119930501 472604113 /nfs/dbraw/zinc/60/41/13/472604113.db2.gz NRAZVPLOKSAZOQ-HNNXBMFYSA-N 1 0 338.404 2.918 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155794669 472616999 /nfs/dbraw/zinc/61/69/99/472616999.db2.gz KTRWCFHNSIDPAA-HNNXBMFYSA-N 1 0 349.406 2.753 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000058990995 472619146 /nfs/dbraw/zinc/61/91/46/472619146.db2.gz URSAYOJPXCBWFN-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130797637 472629052 /nfs/dbraw/zinc/62/90/52/472629052.db2.gz CTAXTISCKGKBCT-LBPRGKRZSA-N 1 0 346.412 2.590 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000090539662 472632201 /nfs/dbraw/zinc/63/22/01/472632201.db2.gz DMTCSQFKLMQQOD-PBHICJAKSA-N 1 0 330.388 2.549 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000155890623 472634313 /nfs/dbraw/zinc/63/43/13/472634313.db2.gz SOEQDOZNXIRHBA-KSSFIOAISA-N 1 0 333.432 2.764 20 5 EFBDRO COC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000090650984 472647313 /nfs/dbraw/zinc/64/73/13/472647313.db2.gz UGIWBPZXAHHKTL-MRXNPFEDSA-N 1 0 334.416 2.701 20 5 EFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000060380208 472649921 /nfs/dbraw/zinc/64/99/21/472649921.db2.gz WQILDAQJUQAHRH-CYBMUJFWSA-N 1 0 340.855 2.934 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000060410809 472654285 /nfs/dbraw/zinc/65/42/85/472654285.db2.gz WNGJPSKTLWBUKA-NHYWBVRUSA-N 1 0 325.434 2.897 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000104097213 472656233 /nfs/dbraw/zinc/65/62/33/472656233.db2.gz KGPTUEWUDFXLPT-JEZWAEDTSA-N 1 0 329.400 2.695 20 5 EFBDRO CCOC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000060485113 472661464 /nfs/dbraw/zinc/66/14/64/472661464.db2.gz NKQGZNWTHSYUET-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO COc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047188295 472665701 /nfs/dbraw/zinc/66/57/01/472665701.db2.gz RVGDWDKAIADSPY-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000072611035 472685976 /nfs/dbraw/zinc/68/59/76/472685976.db2.gz IFFCOTJXRICHBF-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO O=C(CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000061049482 472688400 /nfs/dbraw/zinc/68/84/00/472688400.db2.gz XPRBKPSBLWQINZ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO Cc1c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000131772986 472691090 /nfs/dbraw/zinc/69/10/90/472691090.db2.gz YTBRPHXTLPDTJQ-HNNXBMFYSA-N 1 0 334.416 2.921 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078307344 472692733 /nfs/dbraw/zinc/69/27/33/472692733.db2.gz LDKYUFWXXJVRGX-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO Nc1nc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000078333967 472697666 /nfs/dbraw/zinc/69/76/66/472697666.db2.gz WVYNLXNODGIFLO-AWEZNQCLSA-N 1 0 342.403 2.606 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078359801 472703183 /nfs/dbraw/zinc/70/31/83/472703183.db2.gz XZDZPEDOCKPJFT-UHFFFAOYSA-N 1 0 336.436 2.733 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091099485 472704870 /nfs/dbraw/zinc/70/48/70/472704870.db2.gz HXPDSKNOTXDKQZ-CYBMUJFWSA-N 1 0 337.445 2.557 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091098737 472705510 /nfs/dbraw/zinc/70/55/10/472705510.db2.gz DWOWNTBQKZONPC-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nc2sccn21 ZINC000078424825 472713503 /nfs/dbraw/zinc/71/35/03/472713503.db2.gz IPYXDWJIGSVKKI-GFCCVEGCSA-N 1 0 335.433 2.616 20 5 EFBDRO CNc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047460179 472717294 /nfs/dbraw/zinc/71/72/94/472717294.db2.gz QLDAPHPYALQPGS-UHFFFAOYSA-N 1 0 328.372 2.950 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CCOCC1 ZINC000120651578 472725586 /nfs/dbraw/zinc/72/55/86/472725586.db2.gz MOEAKQSHBHYMIV-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526624 472728774 /nfs/dbraw/zinc/72/87/74/472728774.db2.gz IPRWQQUPVKTUAN-OAHLLOKOSA-N 1 0 346.431 2.631 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000105159700 472729481 /nfs/dbraw/zinc/72/94/81/472729481.db2.gz OMNXMJVRXMQVGX-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898664 472737512 /nfs/dbraw/zinc/73/75/12/472737512.db2.gz CFNQNBFZURHGSR-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO Cc1cnc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078658013 472748389 /nfs/dbraw/zinc/74/83/89/472748389.db2.gz ASTXYODSGSQLQF-GJZGRUSLSA-N 1 0 348.447 2.624 20 5 EFBDRO Cc1cnc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000078653978 472748810 /nfs/dbraw/zinc/74/88/10/472748810.db2.gz XMKKYPLTYFUHBW-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000078674865 472752631 /nfs/dbraw/zinc/75/26/31/472752631.db2.gz AGAQDXXRNFEPCD-MRXNPFEDSA-N 1 0 326.400 2.948 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000063125736 472755127 /nfs/dbraw/zinc/75/51/27/472755127.db2.gz DDMXOICVXMDWJB-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO NC(=O)c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000063282701 472764542 /nfs/dbraw/zinc/76/45/42/472764542.db2.gz URHSWYOJMMGKJB-UHFFFAOYSA-N 1 0 346.431 2.760 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000078783724 472768959 /nfs/dbraw/zinc/76/89/59/472768959.db2.gz QQWGOOUWTLSEBQ-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000063496416 472782502 /nfs/dbraw/zinc/78/25/02/472782502.db2.gz VWCIYQDWRRVOON-UHFFFAOYSA-N 1 0 337.420 2.836 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000063502274 472783038 /nfs/dbraw/zinc/78/30/38/472783038.db2.gz OSHDHULZCLTFCH-AWEZNQCLSA-N 1 0 337.376 2.828 20 5 EFBDRO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000063661909 472798497 /nfs/dbraw/zinc/79/84/97/472798497.db2.gz ONDRVTRMTXXRSJ-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000063723962 472806578 /nfs/dbraw/zinc/80/65/78/472806578.db2.gz ZPJKNZLFKZYGOP-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000157376054 472814740 /nfs/dbraw/zinc/81/47/40/472814740.db2.gz JBKFWLFDTQOMQJ-UHFFFAOYSA-N 1 0 328.294 2.942 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000063865297 472823459 /nfs/dbraw/zinc/82/34/59/472823459.db2.gz WSCVRKOISXEUSZ-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000064029215 472832516 /nfs/dbraw/zinc/83/25/16/472832516.db2.gz ISQHAYZXJDCSHR-UHFFFAOYSA-N 1 0 346.456 2.886 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079262523 472838881 /nfs/dbraw/zinc/83/88/81/472838881.db2.gz CLTJLNKXMCCYKN-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064550876 472861484 /nfs/dbraw/zinc/86/14/84/472861484.db2.gz WDUWBUKLMFTCFE-LBPRGKRZSA-N 1 0 335.433 2.714 20 5 EFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000121519504 472865526 /nfs/dbraw/zinc/86/55/26/472865526.db2.gz JNSXTKGKNJHRFJ-CYBMUJFWSA-N 1 0 333.432 2.964 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000073772140 472872784 /nfs/dbraw/zinc/87/27/84/472872784.db2.gz NTKIUYFBXVYGEI-UHFFFAOYSA-N 1 0 341.415 2.614 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000079553987 472886111 /nfs/dbraw/zinc/88/61/11/472886111.db2.gz WVHFTCFDAAJSHB-DZGCQCFKSA-N 1 0 342.399 2.706 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC000048579886 472891075 /nfs/dbraw/zinc/89/10/75/472891075.db2.gz ZQNPOFHUZSOHKK-UHFFFAOYSA-N 1 0 342.193 2.638 20 5 EFBDRO C[N@H+](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000065124818 472901113 /nfs/dbraw/zinc/90/11/13/472901113.db2.gz ZVFFFEUHIQFBIZ-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092380030 472904626 /nfs/dbraw/zinc/90/46/26/472904626.db2.gz ALFHIFRDIXCFQC-UHFFFAOYSA-N 1 0 345.193 2.742 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065208387 472907372 /nfs/dbraw/zinc/90/73/72/472907372.db2.gz NLPLXFAKCFMIKE-UHFFFAOYSA-N 1 0 341.411 2.791 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000134427737 472907692 /nfs/dbraw/zinc/90/76/92/472907692.db2.gz TWLNKWUSEOQLPF-CYBMUJFWSA-N 1 0 343.811 2.526 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C1CC1)C1CC1 ZINC000065243278 472912739 /nfs/dbraw/zinc/91/27/39/472912739.db2.gz ISSCVXWFNDILKV-UHFFFAOYSA-N 1 0 329.400 2.604 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079750756 472918199 /nfs/dbraw/zinc/91/81/99/472918199.db2.gz QERZGMHUXIZZLR-SNVBAGLBSA-N 1 0 343.305 2.580 20 5 EFBDRO C[NH+]1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065308487 472923681 /nfs/dbraw/zinc/92/36/81/472923681.db2.gz JKGBQRNMWYHPAM-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000121841811 472928317 /nfs/dbraw/zinc/92/83/17/472928317.db2.gz JRSHFBOOXLERCK-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO Nc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000079832917 472928866 /nfs/dbraw/zinc/92/88/66/472928866.db2.gz RKFVEAUJNLZUER-UHFFFAOYSA-N 1 0 342.403 2.565 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000134573756 472930619 /nfs/dbraw/zinc/93/06/19/472930619.db2.gz TYUOUSMRMNRIPT-OAHLLOKOSA-N 1 0 337.445 2.775 20 5 EFBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092606992 472945263 /nfs/dbraw/zinc/94/52/63/472945263.db2.gz ANOOVVUZPRZPCS-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079985116 472953571 /nfs/dbraw/zinc/95/35/71/472953571.db2.gz XHPIRSVEHAEHAI-KGLIPLIRSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706155 472966889 /nfs/dbraw/zinc/96/68/89/472966889.db2.gz GENNAAWHXKVCPN-MRXNPFEDSA-N 1 0 333.432 2.887 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134836059 472972943 /nfs/dbraw/zinc/97/29/43/472972943.db2.gz MPYLYAALZVJAPZ-CYBMUJFWSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000122094115 472973934 /nfs/dbraw/zinc/97/39/34/472973934.db2.gz POWLFIJRHMTZKS-UHFFFAOYSA-N 1 0 327.384 2.781 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000134875312 472979450 /nfs/dbraw/zinc/97/94/50/472979450.db2.gz GZBRWXXIEXDXJN-CQSZACIVSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080160760 472987180 /nfs/dbraw/zinc/98/71/80/472987180.db2.gz FSMUNLVYXWJRDJ-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000122254369 472992513 /nfs/dbraw/zinc/99/25/13/472992513.db2.gz ZNUVCQUDOXDFRU-CRAIPNDOSA-N 1 0 335.448 2.992 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134931153 472994854 /nfs/dbraw/zinc/99/48/54/472994854.db2.gz NOTZGVQBOPUDIA-YOEHRIQHSA-N 1 0 339.395 2.988 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000065746129 473005914 /nfs/dbraw/zinc/00/59/14/473005914.db2.gz NUHBPEDIETUZJF-UHFFFAOYSA-N 1 0 325.434 2.993 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108306914 473012195 /nfs/dbraw/zinc/01/21/95/473012195.db2.gz DODAYNCTTMJSHP-ZDUSSCGKSA-N 1 0 335.429 2.531 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000065826773 473015095 /nfs/dbraw/zinc/01/50/95/473015095.db2.gz VFPVTKRHVPZPPK-GXTWGEPZSA-N 1 0 329.356 2.753 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051057584 473021309 /nfs/dbraw/zinc/02/13/09/473021309.db2.gz CTXZBQZQPOBEJD-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108422543 473026262 /nfs/dbraw/zinc/02/62/62/473026262.db2.gz ZKACLBQLUPXIKN-UHFFFAOYSA-N 1 0 331.372 2.811 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080491622 473039579 /nfs/dbraw/zinc/03/95/79/473039579.db2.gz YPXWGAQGFIZTFD-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122637856 473041051 /nfs/dbraw/zinc/04/10/51/473041051.db2.gz IERSCLGFFXEPQQ-MRXNPFEDSA-N 1 0 343.383 2.907 20 5 EFBDRO COCCCOC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000122644966 473041127 /nfs/dbraw/zinc/04/11/27/473041127.db2.gz FGEOMLHYNCEBON-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCCCCC1 ZINC000066044948 473041614 /nfs/dbraw/zinc/04/16/14/473041614.db2.gz WJZDZXUUQGCLJB-UHFFFAOYSA-N 1 0 344.415 2.542 20 5 EFBDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 ZINC000080543123 473045161 /nfs/dbraw/zinc/04/51/61/473045161.db2.gz ASJOTFLCFZXELU-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO C[N@H+](CCc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051404559 473046756 /nfs/dbraw/zinc/04/67/56/473046756.db2.gz ODNFYJIBVFOEPL-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO CC[N@H+](CCc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051402782 473047402 /nfs/dbraw/zinc/04/74/02/473047402.db2.gz ADEBKPNICPEZOD-GOSISDBHSA-N 1 0 344.411 2.899 20 5 EFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CCCCCC1 ZINC000159677987 473051264 /nfs/dbraw/zinc/05/12/64/473051264.db2.gz YMKMJESFKXAJPJ-UHFFFAOYSA-N 1 0 349.431 2.792 20 5 EFBDRO Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000074725698 473052799 /nfs/dbraw/zinc/05/27/99/473052799.db2.gz XKSNSDWUSXSKGS-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO Cc1cc(NCc2ccc(OCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000074741446 473055401 /nfs/dbraw/zinc/05/54/01/473055401.db2.gz NECDSMIKDRCGTI-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066187906 473056457 /nfs/dbraw/zinc/05/64/57/473056457.db2.gz SBZSGXKMCYIAKI-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000080612658 473056775 /nfs/dbraw/zinc/05/67/75/473056775.db2.gz HFURJIHBCONPSP-UHFFFAOYSA-N 1 0 349.431 2.798 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000159768449 473059036 /nfs/dbraw/zinc/05/90/36/473059036.db2.gz CFGRGKUFJKJUPE-KRWDZBQOSA-N 1 0 341.411 2.854 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000051589215 473059633 /nfs/dbraw/zinc/05/96/33/473059633.db2.gz DWUIAKCMACLNKH-UHFFFAOYSA-N 1 0 344.367 2.877 20 5 EFBDRO CC(C)[NH+](CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(C)C ZINC000074773114 473060838 /nfs/dbraw/zinc/06/08/38/473060838.db2.gz WEIJNIWGCPBXCR-UHFFFAOYSA-N 1 0 347.419 2.752 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC2(CCC2)C1 ZINC000122814678 473061799 /nfs/dbraw/zinc/06/17/99/473061799.db2.gz SHMPLARUWVMCFL-UHFFFAOYSA-N 1 0 331.372 2.769 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135419491 473069277 /nfs/dbraw/zinc/06/92/77/473069277.db2.gz LGJKVHGGPRDIAX-CYBMUJFWSA-N 1 0 334.401 2.972 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000052160311 473089266 /nfs/dbraw/zinc/08/92/66/473089266.db2.gz BPOVEPBYUGZTBO-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135562089 473092868 /nfs/dbraw/zinc/09/28/68/473092868.db2.gz XRUKFWUCKWIURN-HOTGVXAUSA-N 1 0 338.429 2.570 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093362764 473094764 /nfs/dbraw/zinc/09/47/64/473094764.db2.gz KEHZCFBASGDLTH-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000160242945 473100369 /nfs/dbraw/zinc/10/03/69/473100369.db2.gz AHOHGDKISVCTMP-SWLSCSKDSA-N 1 0 329.404 2.569 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000074954491 473103271 /nfs/dbraw/zinc/10/32/71/473103271.db2.gz JCSDKXCJGDLYLS-GFCCVEGCSA-N 1 0 349.387 2.584 20 5 EFBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000135678956 473105306 /nfs/dbraw/zinc/10/53/06/473105306.db2.gz ATDSGKQAJGXZOO-MRXNPFEDSA-N 1 0 339.367 2.563 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC([NH+]3CCCCC3)CC2)nc2sccn21 ZINC000052428341 473106200 /nfs/dbraw/zinc/10/62/00/473106200.db2.gz YCDSOOJWDWRGKY-UHFFFAOYSA-N 1 0 335.433 2.759 20 5 EFBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123203690 473109506 /nfs/dbraw/zinc/10/95/06/473109506.db2.gz CXWFIWXJEYQROQ-AWEZNQCLSA-N 1 0 348.424 2.589 20 5 EFBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123203866 473110160 /nfs/dbraw/zinc/11/01/60/473110160.db2.gz CXWFIWXJEYQROQ-CQSZACIVSA-N 1 0 348.424 2.589 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534670 473115643 /nfs/dbraw/zinc/11/56/43/473115643.db2.gz QCDUPAQCKKXAIW-AWEZNQCLSA-N 1 0 328.372 2.685 20 5 EFBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000093613328 473126388 /nfs/dbraw/zinc/12/63/88/473126388.db2.gz OMUHAOHWQGJOSU-MJMQLPLLSA-N 1 0 346.427 2.860 20 5 EFBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000052722491 473142383 /nfs/dbraw/zinc/14/23/83/473142383.db2.gz GQKNQSJWTLOTGH-AWEZNQCLSA-N 1 0 345.403 2.586 20 5 EFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000093769552 473142981 /nfs/dbraw/zinc/14/29/81/473142981.db2.gz SUPBVOOWRUKROV-SOFGYWHQSA-N 1 0 347.459 2.898 20 5 EFBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093808796 473146859 /nfs/dbraw/zinc/14/68/59/473146859.db2.gz CXAWNTBJGXVICN-CYBMUJFWSA-N 1 0 343.383 2.942 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)n1 ZINC000123487137 473147121 /nfs/dbraw/zinc/14/71/21/473147121.db2.gz UDUDCJNJEOTUHM-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093838639 473149834 /nfs/dbraw/zinc/14/98/34/473149834.db2.gz BJFNISSMWOZBMT-AWEZNQCLSA-N 1 0 344.415 2.854 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000093839822 473150973 /nfs/dbraw/zinc/15/09/73/473150973.db2.gz RGWLTHOOTQUYDH-LLVKDONJSA-N 1 0 329.194 2.826 20 5 EFBDRO C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000123531486 473152983 /nfs/dbraw/zinc/15/29/83/473152983.db2.gz PNLLNEBWSBXCNE-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000081156750 473154640 /nfs/dbraw/zinc/15/46/40/473154640.db2.gz PKOYMVRDPPMGKZ-UHFFFAOYSA-N 1 0 337.376 2.820 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000052862999 473156771 /nfs/dbraw/zinc/15/67/71/473156771.db2.gz MJCHQDOFGJYTFL-CYBMUJFWSA-N 1 0 332.360 2.674 20 5 EFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093898697 473158697 /nfs/dbraw/zinc/15/86/97/473158697.db2.gz PLTYPKXIHWEJBU-LLVKDONJSA-N 1 0 348.428 2.532 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000094007925 473166935 /nfs/dbraw/zinc/16/69/35/473166935.db2.gz RQYRVQVSIAMTQP-BDAKNGLRSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000094125258 473178937 /nfs/dbraw/zinc/17/89/37/473178937.db2.gz NJILKMVRKRJQSF-OAHLLOKOSA-N 1 0 331.416 2.734 20 5 EFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123735835 473179045 /nfs/dbraw/zinc/17/90/45/473179045.db2.gz VLPZJHAMTXQFEF-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO CCc1nn(C)c(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000094157767 473181897 /nfs/dbraw/zinc/18/18/97/473181897.db2.gz PRMRBIHGAAUZJQ-ZDUSSCGKSA-N 1 0 331.420 2.823 20 5 EFBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136867995 473182345 /nfs/dbraw/zinc/18/23/45/473182345.db2.gz KDNFTQMPDNULEB-KRWDZBQOSA-N 1 0 334.347 2.778 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000081335060 473186962 /nfs/dbraw/zinc/18/69/62/473186962.db2.gz DWHJHVKLILBDRB-OJXHRBAXSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000110997550 473189148 /nfs/dbraw/zinc/18/91/48/473189148.db2.gz XRYUVLZHKITPAC-ZDUSSCGKSA-N 1 0 337.445 2.921 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000136984028 473189430 /nfs/dbraw/zinc/18/94/30/473189430.db2.gz AIHMKUKXIBDRJW-CQSZACIVSA-N 1 0 337.445 2.777 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000081364486 473191613 /nfs/dbraw/zinc/19/16/13/473191613.db2.gz QTPXQIXXOXMBOW-OAHLLOKOSA-N 1 0 348.447 2.587 20 5 EFBDRO CC1(C)CCC(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000095428452 473201974 /nfs/dbraw/zinc/20/19/74/473201974.db2.gz TUVREBLQPUIFKD-IRXDYDNUSA-N 1 0 336.432 2.795 20 5 EFBDRO CC1(C)CCC(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000095428450 473202224 /nfs/dbraw/zinc/20/22/24/473202224.db2.gz TUVREBLQPUIFKD-DLBZAZTESA-N 1 0 336.432 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000171455556 473392138 /nfs/dbraw/zinc/39/21/38/473392138.db2.gz JNDHYEVVFZGJIK-QGZVFWFLSA-N 1 0 349.431 2.730 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185324980 473394814 /nfs/dbraw/zinc/39/48/14/473394814.db2.gz DYINSFAKQUTZMD-LBPRGKRZSA-N 1 0 349.337 2.524 20 5 EFBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000125508812 473421205 /nfs/dbraw/zinc/42/12/05/473421205.db2.gz GRELZAIQMMRBHT-ZDUSSCGKSA-N 1 0 340.383 2.772 20 5 EFBDRO COC(=O)[C@@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114063574 473436700 /nfs/dbraw/zinc/43/67/00/473436700.db2.gz XQGKZSWDKPNCLM-LBPRGKRZSA-N 1 0 347.371 2.533 20 5 EFBDRO Cc1c(CC(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000163364772 473438588 /nfs/dbraw/zinc/43/85/88/473438588.db2.gz MMFSWKSPKGMYRK-UHFFFAOYSA-N 1 0 333.432 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185484051 473439383 /nfs/dbraw/zinc/43/93/83/473439383.db2.gz MXMSHTXJQSQTEQ-GOSISDBHSA-N 1 0 342.395 2.612 20 5 EFBDRO C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185489482 473440423 /nfs/dbraw/zinc/44/04/23/473440423.db2.gz JSHAQSBINFWIPY-SRVKXCTJSA-N 1 0 335.379 2.579 20 5 EFBDRO C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185489469 473440532 /nfs/dbraw/zinc/44/05/32/473440532.db2.gz JSHAQSBINFWIPY-WOPDTQHZSA-N 1 0 335.379 2.579 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000177867384 473445740 /nfs/dbraw/zinc/44/57/40/473445740.db2.gz FNWNAYQQQKVBGN-DOMZBBRYSA-N 1 0 348.403 2.551 20 5 EFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OCC[NH+](C)C)c1 ZINC000151350395 473446902 /nfs/dbraw/zinc/44/69/02/473446902.db2.gz OTBXJYUBJLYCTA-UHFFFAOYSA-N 1 0 333.344 2.689 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C(C)C ZINC000185532098 473450108 /nfs/dbraw/zinc/45/01/08/473450108.db2.gz WOCSIBQYWIVPRM-INIZCTEOSA-N 1 0 335.448 2.962 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000163523905 473452355 /nfs/dbraw/zinc/45/23/55/473452355.db2.gz XTGIEVBHPBSOMY-HNNXBMFYSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000114377743 473457170 /nfs/dbraw/zinc/45/71/70/473457170.db2.gz GQHOPGUFNKDANP-OAHLLOKOSA-N 1 0 348.447 2.875 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000125844126 473463335 /nfs/dbraw/zinc/46/33/35/473463335.db2.gz ZYNSXPSFNJSANF-IUODEOHRSA-N 1 0 328.372 2.823 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000114460297 473469113 /nfs/dbraw/zinc/46/91/13/473469113.db2.gz VVSWTBNBKWWOAN-JKSUJKDBSA-N 1 0 336.388 2.587 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114466469 473469774 /nfs/dbraw/zinc/46/97/74/473469774.db2.gz XXUDHADWJCBFOE-QGZVFWFLSA-N 1 0 342.395 2.955 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000151548055 473471530 /nfs/dbraw/zinc/47/15/30/473471530.db2.gz UZEWVGUZIKDBNN-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164068406 473476665 /nfs/dbraw/zinc/47/66/65/473476665.db2.gz WQXUAAOYSBKUNX-HOCLYGCPSA-N 1 0 346.431 2.583 20 5 EFBDRO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+](C)C1CC1 ZINC000151861385 473501777 /nfs/dbraw/zinc/50/17/77/473501777.db2.gz SJYLKFCWHADAJJ-ZDUSSCGKSA-N 1 0 346.431 2.752 20 5 EFBDRO CCC[C@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165116813 473506856 /nfs/dbraw/zinc/50/68/56/473506856.db2.gz IASOIOUHPFBSTR-IRXDYDNUSA-N 1 0 349.431 2.663 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000191229714 473513396 /nfs/dbraw/zinc/51/33/96/473513396.db2.gz BTYLVFZUTAHWQQ-UHFFFAOYSA-N 1 0 349.431 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000152042546 473518674 /nfs/dbraw/zinc/51/86/74/473518674.db2.gz HCSXREVBSDHUNP-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152114824 473525854 /nfs/dbraw/zinc/52/58/54/473525854.db2.gz NYGYEHXDURDZBY-CQSZACIVSA-N 1 0 327.388 2.970 20 5 EFBDRO [NH3+][C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000152144306 473529183 /nfs/dbraw/zinc/52/91/83/473529183.db2.gz KXRDFHWUPNRJNT-QGZVFWFLSA-N 1 0 342.399 2.603 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178549598 473530214 /nfs/dbraw/zinc/53/02/14/473530214.db2.gz IHYJXDFQJKZKJE-GFCCVEGCSA-N 1 0 325.434 2.754 20 5 EFBDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178572042 473533247 /nfs/dbraw/zinc/53/32/47/473533247.db2.gz XGOJRMVDRXJCCF-QGZVFWFLSA-N 1 0 344.367 2.547 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172154170 473536209 /nfs/dbraw/zinc/53/62/09/473536209.db2.gz AZHVYHBSNQZJCK-HNNXBMFYSA-N 1 0 334.420 2.659 20 5 EFBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679947 473544404 /nfs/dbraw/zinc/54/44/04/473544404.db2.gz ZHGZUDWRPBMICK-NWDGAFQWSA-N 1 0 332.360 2.877 20 5 EFBDRO Cc1ccnc(NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000172277725 473567363 /nfs/dbraw/zinc/56/73/63/473567363.db2.gz UCOREVZRGOIONJ-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC(C)c1nccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000127013186 473568181 /nfs/dbraw/zinc/56/81/81/473568181.db2.gz RVWYZKYIDZFPEY-LBPRGKRZSA-N 1 0 328.376 2.594 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[NH+]3CCCCCC3)cc2N1 ZINC000170639542 473571223 /nfs/dbraw/zinc/57/12/23/473571223.db2.gz XEQHYVGVCBFWDJ-UHFFFAOYSA-N 1 0 332.404 2.767 20 5 EFBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186055755 473580286 /nfs/dbraw/zinc/58/02/86/473580286.db2.gz LDFRVPZRIQVVIT-IBGZPJMESA-N 1 0 341.411 2.854 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000127154343 473582520 /nfs/dbraw/zinc/58/25/20/473582520.db2.gz OGBIBRSQOCSHFG-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000172331157 473583063 /nfs/dbraw/zinc/58/30/63/473583063.db2.gz OICGMUKDJBLODG-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO C[C@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000170691611 473589910 /nfs/dbraw/zinc/58/99/10/473589910.db2.gz XPIIBIGKEXYNEC-ZDUSSCGKSA-N 1 0 335.404 2.549 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000153041559 473604965 /nfs/dbraw/zinc/60/49/65/473604965.db2.gz WXIBGTXXXRBAPQ-STQMWFEESA-N 1 0 333.388 2.664 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421555 473606345 /nfs/dbraw/zinc/60/63/45/473606345.db2.gz YEXVLRBVMAIAOZ-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000153221996 473613574 /nfs/dbraw/zinc/61/35/74/473613574.db2.gz JELCRNGTGFAMAO-STQMWFEESA-N 1 0 333.388 2.664 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)N[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153244524 473614438 /nfs/dbraw/zinc/61/44/38/473614438.db2.gz KRYOYYOYWNSIOK-STQMWFEESA-N 1 0 337.420 2.949 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153377283 473621380 /nfs/dbraw/zinc/62/13/80/473621380.db2.gz LRLAKMIBDWOWRG-CHWSQXEVSA-N 1 0 331.372 2.625 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153377198 473622296 /nfs/dbraw/zinc/62/22/96/473622296.db2.gz LRLAKMIBDWOWRG-BETUJISGSA-N 1 0 331.372 2.625 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153440318 473624287 /nfs/dbraw/zinc/62/42/87/473624287.db2.gz JNQUAFJHYAPHJC-MCIONIFRSA-N 1 0 331.416 2.741 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153495911 473627208 /nfs/dbraw/zinc/62/72/08/473627208.db2.gz XRUCDESPVLITIV-KSSFIOAISA-N 1 0 343.427 2.992 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC000116127787 473628857 /nfs/dbraw/zinc/62/88/57/473628857.db2.gz HWDIIFOJEDSBSS-CQSZACIVSA-N 1 0 325.384 2.830 20 5 EFBDRO CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153593453 473631193 /nfs/dbraw/zinc/63/11/93/473631193.db2.gz PQUWCNDQQQOETP-STMXVASLSA-N 1 0 337.807 2.814 20 5 EFBDRO Cc1cccc(N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000172517812 473631317 /nfs/dbraw/zinc/63/13/17/473631317.db2.gz BVQIFJKYBGWAFJ-UHFFFAOYSA-N 1 0 337.339 2.761 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153608368 473632018 /nfs/dbraw/zinc/63/20/18/473632018.db2.gz ZXHJRPTUGRGQQW-DGCLKSJQSA-N 1 0 335.429 2.745 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000127611339 473632952 /nfs/dbraw/zinc/63/29/52/473632952.db2.gz OSXIMYBXMJCVIZ-CQSZACIVSA-N 1 0 332.404 2.817 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000127619678 473633376 /nfs/dbraw/zinc/63/33/76/473633376.db2.gz JXHYTNANVOWFDZ-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000153700090 473636957 /nfs/dbraw/zinc/63/69/57/473636957.db2.gz FYKZXVDSCPUNJC-XJKSGUPXSA-N 1 0 332.404 2.851 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127648922 473637601 /nfs/dbraw/zinc/63/76/01/473637601.db2.gz ICXKSMORPQZHKF-SUMWQHHRSA-N 1 0 331.416 2.955 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153721949 473638492 /nfs/dbraw/zinc/63/84/92/473638492.db2.gz VJWFPQMTZXLULI-CZUORRHYSA-N 1 0 329.400 2.684 20 5 EFBDRO COC[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153713445 473638543 /nfs/dbraw/zinc/63/85/43/473638543.db2.gz POSPJZCNPJKTGK-GFCCVEGCSA-N 1 0 336.413 2.810 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153835270 473643731 /nfs/dbraw/zinc/64/37/31/473643731.db2.gz FQBXDEZMDYCSQO-CQSZACIVSA-N 1 0 335.404 2.988 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192187874 473644859 /nfs/dbraw/zinc/64/48/59/473644859.db2.gz RBELPBCMIVIPFT-GFCCVEGCSA-N 1 0 326.418 2.810 20 5 EFBDRO CC(C)OCC[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153893359 473648200 /nfs/dbraw/zinc/64/82/00/473648200.db2.gz SOOVKLMZHQLWOL-UHFFFAOYSA-N 1 0 342.827 2.945 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000170926945 473648335 /nfs/dbraw/zinc/64/83/35/473648335.db2.gz UNEQDIMIYFOBCP-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172585111 473648797 /nfs/dbraw/zinc/64/87/97/473648797.db2.gz YWZHXQMHUSGXMF-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153945683 473652616 /nfs/dbraw/zinc/65/26/16/473652616.db2.gz LFTUBCZWMKCTNQ-CYBMUJFWSA-N 1 0 342.399 2.747 20 5 EFBDRO CCOC(=O)N[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000153965466 473655212 /nfs/dbraw/zinc/65/52/12/473655212.db2.gz AWEKBWHOIRBEFX-PXTSUWAFSA-N 1 0 333.388 2.819 20 5 EFBDRO Cc1nn(C)c(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186413711 473670663 /nfs/dbraw/zinc/67/06/63/473670663.db2.gz BQEKWLYYEHBKGQ-MRXNPFEDSA-N 1 0 343.431 2.959 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000186481816 473680389 /nfs/dbraw/zinc/68/03/89/473680389.db2.gz LPDRVFVCANJBLH-SJKOYZFVSA-N 1 0 342.399 2.598 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413127 473685687 /nfs/dbraw/zinc/68/56/87/473685687.db2.gz MUEXEDRNIWUBNH-RYUDHWBXSA-N 1 0 337.420 2.947 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179413114 473685777 /nfs/dbraw/zinc/68/57/77/473685777.db2.gz MUEXEDRNIWUBNH-NEPJUHHUSA-N 1 0 337.420 2.947 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000186580275 473693244 /nfs/dbraw/zinc/69/32/44/473693244.db2.gz GMWCLIUQZVIRAL-MQZONAICSA-N 1 0 334.416 2.764 20 5 EFBDRO CC[NH+](CC)CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000192593158 473694903 /nfs/dbraw/zinc/69/49/03/473694903.db2.gz VYCYDUKFJRVMFT-UHFFFAOYSA-N 1 0 336.436 2.877 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192600472 473695416 /nfs/dbraw/zinc/69/54/16/473695416.db2.gz CQUFRTQAWVVINA-KRWDZBQOSA-N 1 0 325.368 2.861 20 5 EFBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192632776 473698130 /nfs/dbraw/zinc/69/81/30/473698130.db2.gz CZUBKBVTOMFSCO-QGZVFWFLSA-N 1 0 325.368 2.861 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000179638986 473702786 /nfs/dbraw/zinc/70/27/86/473702786.db2.gz CZSSOJFHESGFAB-LLVKDONJSA-N 1 0 329.347 2.580 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192706342 473709627 /nfs/dbraw/zinc/70/96/27/473709627.db2.gz HCGQVYVRPQXARF-HIFRSBDPSA-N 1 0 333.436 2.573 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269186528 473724061 /nfs/dbraw/zinc/72/40/61/473724061.db2.gz FYANVWMYDNNQSK-UHFFFAOYSA-N 1 0 340.383 2.681 20 5 EFBDRO C[C@H]1C[NH+](CC2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000192788856 473726291 /nfs/dbraw/zinc/72/62/91/473726291.db2.gz KYLFOYJGBCIWDS-KBPBESRZSA-N 1 0 348.447 2.503 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000179838544 473740268 /nfs/dbraw/zinc/74/02/68/473740268.db2.gz RAIULMFNXMFZPP-SNVBAGLBSA-N 1 0 341.795 2.591 20 5 EFBDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281497115 473740672 /nfs/dbraw/zinc/74/06/72/473740672.db2.gz UDPSNRASAIYQRX-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173129222 473751867 /nfs/dbraw/zinc/75/18/67/473751867.db2.gz TYPBRDQXOKNXRS-UHFFFAOYSA-N 1 0 347.337 2.931 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269270057 473756668 /nfs/dbraw/zinc/75/66/68/473756668.db2.gz MAQUXYVMJYUQOP-UWVGGRQHSA-N 1 0 345.321 2.813 20 5 EFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315879 473780076 /nfs/dbraw/zinc/78/00/76/473780076.db2.gz FBYFSVCDAVMPLB-HNNXBMFYSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000173279210 473792265 /nfs/dbraw/zinc/79/22/65/473792265.db2.gz HSFOEPZDDLPFLB-CYBMUJFWSA-N 1 0 335.379 2.728 20 5 EFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173339419 473809827 /nfs/dbraw/zinc/80/98/27/473809827.db2.gz ASIHXSSQQLUQHD-ZDUSSCGKSA-N 1 0 343.383 2.684 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000281733497 473822700 /nfs/dbraw/zinc/82/27/00/473822700.db2.gz OEQGSPKSVQGYLS-UHFFFAOYSA-N 1 0 337.445 2.631 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392432 473825104 /nfs/dbraw/zinc/82/51/04/473825104.db2.gz POQWECDGZGRMML-GFCCVEGCSA-N 1 0 345.424 2.892 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000246322361 473827682 /nfs/dbraw/zinc/82/76/82/473827682.db2.gz RUHKNSIRJNKLDX-YJBOKZPZSA-N 1 0 343.427 2.613 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246325863 473830573 /nfs/dbraw/zinc/83/05/73/473830573.db2.gz AYDQUSJYGMCEBB-KGLIPLIRSA-N 1 0 334.420 2.639 20 5 EFBDRO CN1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000269648107 473850278 /nfs/dbraw/zinc/85/02/78/473850278.db2.gz FPQPRIWNQPGWCU-SFHVURJKSA-N 1 0 327.384 2.580 20 5 EFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000269632492 473850475 /nfs/dbraw/zinc/85/04/75/473850475.db2.gz FZWRZSHXYHIHPN-MSOLQXFVSA-N 1 0 330.384 2.684 20 5 EFBDRO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180430076 473875291 /nfs/dbraw/zinc/87/52/91/473875291.db2.gz NAGUNMWGQDEXLJ-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000281960777 473899872 /nfs/dbraw/zinc/89/98/72/473899872.db2.gz NDBAHHYTTRWCIG-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]2C1 ZINC000194537155 473913088 /nfs/dbraw/zinc/91/30/88/473913088.db2.gz WQVDWVMJKUSWPB-OKILXGFUSA-N 1 0 327.384 2.848 20 5 EFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000274681741 473918610 /nfs/dbraw/zinc/91/86/10/473918610.db2.gz OAMKQTYDAAENCB-QWHCGFSZSA-N 1 0 342.852 2.659 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000288360229 473920252 /nfs/dbraw/zinc/92/02/52/473920252.db2.gz KOTXAZNREBNRGA-WDEREUQCSA-N 1 0 339.342 2.572 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000194593519 473922879 /nfs/dbraw/zinc/92/28/79/473922879.db2.gz OLRGMQYWBSLHBD-UHFFFAOYSA-N 1 0 339.348 2.572 20 5 EFBDRO COCCOCCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000274696255 473924260 /nfs/dbraw/zinc/92/42/60/473924260.db2.gz WRLLJRMUZCUGKD-OAHLLOKOSA-N 1 0 340.420 2.624 20 5 EFBDRO COCCOCCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000274696253 473924439 /nfs/dbraw/zinc/92/44/39/473924439.db2.gz WRLLJRMUZCUGKD-HNNXBMFYSA-N 1 0 340.420 2.624 20 5 EFBDRO C[N@H+](CCc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000173758356 473925874 /nfs/dbraw/zinc/92/58/74/473925874.db2.gz QHRSYLBGNYQMFN-INIZCTEOSA-N 1 0 345.424 2.936 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173781403 473930403 /nfs/dbraw/zinc/93/04/03/473930403.db2.gz SRTBGBFOEWEPKE-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000194645563 473930730 /nfs/dbraw/zinc/93/07/30/473930730.db2.gz ZPPCHXCTCRSAPD-UHFFFAOYSA-N 1 0 334.420 2.635 20 5 EFBDRO Cc1cnccc1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000269971339 473939098 /nfs/dbraw/zinc/93/90/98/473939098.db2.gz LEWCDUXRTMMZHP-UHFFFAOYSA-N 1 0 342.355 2.909 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000194814553 473958151 /nfs/dbraw/zinc/95/81/51/473958151.db2.gz UUYDGJPJLUWPOY-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000188049055 473963333 /nfs/dbraw/zinc/96/33/33/473963333.db2.gz SJTZPIXUSNDFHJ-NSHDSACASA-N 1 0 335.429 2.531 20 5 EFBDRO CCOc1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000282158086 473964173 /nfs/dbraw/zinc/96/41/73/473964173.db2.gz CRJGHMYZBMJZOM-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000174021936 473974689 /nfs/dbraw/zinc/97/46/89/473974689.db2.gz JMPHTNRAOLYRHM-UHFFFAOYSA-N 1 0 329.397 2.747 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000288557403 473980983 /nfs/dbraw/zinc/98/09/83/473980983.db2.gz LYMIJZDTHFIITL-UHFFFAOYSA-N 1 0 344.415 2.610 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000246849493 473982962 /nfs/dbraw/zinc/98/29/62/473982962.db2.gz CFPPKRQEASYLFS-HMOMSXHPSA-N 1 0 329.400 2.693 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000174109718 473987035 /nfs/dbraw/zinc/98/70/35/473987035.db2.gz FGSBUTRCQCTUSD-VOTSOKGWSA-N 1 0 331.416 2.846 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188118681 473989057 /nfs/dbraw/zinc/98/90/57/473989057.db2.gz CJRYDMDOKYPBPA-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000181107440 474006057 /nfs/dbraw/zinc/00/60/57/474006057.db2.gz ORMIZAVCYFBULX-JTQLQIEISA-N 1 0 339.193 2.905 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181182554 474013570 /nfs/dbraw/zinc/01/35/70/474013570.db2.gz LBANDRPVKGPJLM-GDBMZVCRSA-N 1 0 330.388 2.549 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000288692480 474024322 /nfs/dbraw/zinc/02/43/22/474024322.db2.gz BKKATMWZOZFBMD-LBPRGKRZSA-N 1 0 343.449 2.531 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246987524 474027110 /nfs/dbraw/zinc/02/71/10/474027110.db2.gz KAZWSSVPBOYHPZ-UONOGXRCSA-N 1 0 336.436 2.994 20 5 EFBDRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000188256992 474036099 /nfs/dbraw/zinc/03/60/99/474036099.db2.gz HNJZJIKMRFHGPN-HNNXBMFYSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181505991 474042490 /nfs/dbraw/zinc/04/24/90/474042490.db2.gz SSKNVHNTCDGRBZ-NEPJUHHUSA-N 1 0 329.356 2.978 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247028259 474042486 /nfs/dbraw/zinc/04/24/86/474042486.db2.gz YHRCGCCGKKJCKH-KXBFYZLASA-N 1 0 345.443 2.922 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181533909 474045205 /nfs/dbraw/zinc/04/52/05/474045205.db2.gz SCQMINZRHYYNAJ-LBPRGKRZSA-N 1 0 329.356 2.898 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000181535555 474045832 /nfs/dbraw/zinc/04/58/32/474045832.db2.gz ROCCYFYELOIXJW-GFCCVEGCSA-N 1 0 341.367 2.540 20 5 EFBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288771334 474045916 /nfs/dbraw/zinc/04/59/16/474045916.db2.gz JPXIEDDMFQKEBD-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000264584576 474047993 /nfs/dbraw/zinc/04/79/93/474047993.db2.gz KIKZMCOPFHDRSD-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181582730 474049710 /nfs/dbraw/zinc/04/97/10/474049710.db2.gz TYDZXEXGTFLVDQ-GFCCVEGCSA-N 1 0 329.356 2.980 20 5 EFBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639300 474053473 /nfs/dbraw/zinc/05/34/73/474053473.db2.gz BOGQOMFQJJAHQY-KBPBESRZSA-N 1 0 331.416 2.978 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000181852530 474065987 /nfs/dbraw/zinc/06/59/87/474065987.db2.gz GPVHXGXYQQICNR-UHFFFAOYSA-N 1 0 343.836 2.552 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000188346520 474067516 /nfs/dbraw/zinc/06/75/16/474067516.db2.gz LDXFEXCHJQBPGA-UHFFFAOYSA-N 1 0 345.403 2.662 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000181914068 474069865 /nfs/dbraw/zinc/06/98/65/474069865.db2.gz RJTKXFMKBPZBFU-OAHLLOKOSA-N 1 0 334.416 2.991 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000247123158 474070107 /nfs/dbraw/zinc/07/01/07/474070107.db2.gz MSQCVSNMKSLRIV-CRLUXQHQSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCOC1 ZINC000247147650 474076317 /nfs/dbraw/zinc/07/63/17/474076317.db2.gz UCNIGMZVYJKQCS-NWDGAFQWSA-N 1 0 332.360 2.674 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182020303 474082186 /nfs/dbraw/zinc/08/21/86/474082186.db2.gz OQYJMPDWRDCYBF-CYBMUJFWSA-N 1 0 346.387 2.650 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188433747 474094099 /nfs/dbraw/zinc/09/40/99/474094099.db2.gz WDUNODVRROEXDG-AWEZNQCLSA-N 1 0 349.431 2.716 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1N1CCCC1 ZINC000174812205 474100358 /nfs/dbraw/zinc/10/03/58/474100358.db2.gz PAEPGNXVYZDHPP-UHFFFAOYSA-N 1 0 329.404 2.524 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247265330 474104279 /nfs/dbraw/zinc/10/42/79/474104279.db2.gz FGEHPMZTDFKWJW-WMLDXEAASA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[NH2+]1 ZINC000188476188 474105508 /nfs/dbraw/zinc/10/55/08/474105508.db2.gz RWWCXTJORJCAIG-CYBMUJFWSA-N 1 0 341.367 2.821 20 5 EFBDRO CCCC[N@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182159243 474111872 /nfs/dbraw/zinc/11/18/72/474111872.db2.gz VBAPVTXLQBMBAL-UHFFFAOYSA-N 1 0 343.811 2.671 20 5 EFBDRO C[N@H+](CCc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182214481 474124110 /nfs/dbraw/zinc/12/41/10/474124110.db2.gz OQIKYCBTPAOWDG-MRXNPFEDSA-N 1 0 330.384 2.509 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000247347139 474126196 /nfs/dbraw/zinc/12/61/96/474126196.db2.gz UXSSMLVGALNASW-UHFFFAOYSA-N 1 0 325.412 2.955 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCS(=O)(=O)CC1 ZINC000275299712 474135725 /nfs/dbraw/zinc/13/57/25/474135725.db2.gz HSCQINBWJVBARU-SNVBAGLBSA-N 1 0 346.836 2.551 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000217150368 474142243 /nfs/dbraw/zinc/14/22/43/474142243.db2.gz DXPNEIOSCFBZNM-MJBXVCDLSA-N 1 0 348.447 2.733 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000247419268 474143329 /nfs/dbraw/zinc/14/33/29/474143329.db2.gz NUQJJRVSENFZDI-BXUZGUMPSA-N 1 0 337.445 2.729 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247486848 474160112 /nfs/dbraw/zinc/16/01/12/474160112.db2.gz KXEQWXUAMMLVAM-CJNGLKHVSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000221767957 474163232 /nfs/dbraw/zinc/16/32/32/474163232.db2.gz IHPMEYRUPMSTJS-VGVVRCBHSA-N 1 0 335.379 2.595 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000182402984 474166268 /nfs/dbraw/zinc/16/62/68/474166268.db2.gz VRFKCLPSKBEWTR-MRXNPFEDSA-N 1 0 346.383 2.696 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247501822 474166749 /nfs/dbraw/zinc/16/67/49/474166749.db2.gz UZQMPAZZJYTFGO-IINYFYTJSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000270556532 474168993 /nfs/dbraw/zinc/16/89/93/474168993.db2.gz IVLBIDXHQPYYRL-CQSZACIVSA-N 1 0 327.384 2.982 20 5 EFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000270565982 474172034 /nfs/dbraw/zinc/17/20/34/474172034.db2.gz MAPQYRWJIKYRSG-UHFFFAOYSA-N 1 0 333.363 2.806 20 5 EFBDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275418002 474178819 /nfs/dbraw/zinc/17/88/19/474178819.db2.gz CEERHZYYJKYTGA-UHFFFAOYSA-N 1 0 341.383 2.809 20 5 EFBDRO CCOc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188749501 474184491 /nfs/dbraw/zinc/18/44/91/474184491.db2.gz XZOMJTGSOOCVAJ-UHFFFAOYSA-N 1 0 341.367 2.527 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000270601111 474185783 /nfs/dbraw/zinc/18/57/83/474185783.db2.gz ARVNIZFQUSCLNG-BLLLJJGKSA-N 1 0 338.404 2.992 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000275440809 474185719 /nfs/dbraw/zinc/18/57/19/474185719.db2.gz KHXNKNXPPGKJHW-UHFFFAOYSA-N 1 0 340.811 2.532 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289262755 474201245 /nfs/dbraw/zinc/20/12/45/474201245.db2.gz OMVWQILULXDHRH-CXAGYDPISA-N 1 0 349.456 2.678 20 5 EFBDRO CC[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247734414 474206159 /nfs/dbraw/zinc/20/61/59/474206159.db2.gz VHQNGTGRAIYBOC-BXUZGUMPSA-N 1 0 332.360 2.644 20 5 EFBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000265452960 474219271 /nfs/dbraw/zinc/21/92/71/474219271.db2.gz LFBDWFDFCKLFHV-NSHDSACASA-N 1 0 348.432 2.780 20 5 EFBDRO COCCC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188934964 474239386 /nfs/dbraw/zinc/23/93/86/474239386.db2.gz KMICDVDPZWOJGN-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000182710995 474239441 /nfs/dbraw/zinc/23/94/41/474239441.db2.gz QLPKNAUEVGRJKP-QWRGUYRKSA-N 1 0 349.387 2.676 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000182715513 474240605 /nfs/dbraw/zinc/24/06/05/474240605.db2.gz RRCRPPFSLSTYRY-STQMWFEESA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182724009 474242199 /nfs/dbraw/zinc/24/21/99/474242199.db2.gz UIKKEMKEPSPYHA-STQMWFEESA-N 1 0 340.445 2.783 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000188954577 474244850 /nfs/dbraw/zinc/24/48/50/474244850.db2.gz XWZDXSBPKPYQNB-UHFFFAOYSA-N 1 0 330.388 2.557 20 5 EFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175538854 474245274 /nfs/dbraw/zinc/24/52/74/474245274.db2.gz UWVGAXVGFQELBO-SUMWQHHRSA-N 1 0 349.431 2.565 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000270748036 474247962 /nfs/dbraw/zinc/24/79/62/474247962.db2.gz AENHOUKUKOTDGM-VIIAAUOXSA-N 1 0 331.416 2.797 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265564585 474254672 /nfs/dbraw/zinc/25/46/72/474254672.db2.gz MPAPLPRKMLMLSN-UHFFFAOYSA-N 1 0 339.823 2.733 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)CCOCC2)c(Cl)c1 ZINC000265581792 474260078 /nfs/dbraw/zinc/26/00/78/474260078.db2.gz WPVOJVHKCJRHJI-UHFFFAOYSA-N 1 0 340.811 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)C3CCCC3)co2)cc1 ZINC000289419968 474261372 /nfs/dbraw/zinc/26/13/72/474261372.db2.gz CCDSVMYSURERPN-INIZCTEOSA-N 1 0 331.372 2.891 20 5 EFBDRO C[C@H]1C[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000231630162 474263669 /nfs/dbraw/zinc/26/36/69/474263669.db2.gz WFDCYOAPTHQXAZ-IUCAKERBSA-N 1 0 329.198 2.647 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248155089 474272553 /nfs/dbraw/zinc/27/25/53/474272553.db2.gz RFYSHHGGFKOPCH-XHDPSFHLSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236618210 474274181 /nfs/dbraw/zinc/27/41/81/474274181.db2.gz FEHDPYXCNRPEJG-GFCCVEGCSA-N 1 0 348.428 2.822 20 5 EFBDRO CN(Cc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CCN(C)C1=O ZINC000265636205 474277205 /nfs/dbraw/zinc/27/72/05/474277205.db2.gz HUEBFZAOGAOYQN-INIZCTEOSA-N 1 0 336.391 2.609 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236662307 474278414 /nfs/dbraw/zinc/27/84/14/474278414.db2.gz ZBTKGPRVDLAHKR-BONVTDFDSA-N 1 0 343.811 2.505 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236669061 474279984 /nfs/dbraw/zinc/27/99/84/474279984.db2.gz FEHDPYXCNRPEJG-LBPRGKRZSA-N 1 0 348.428 2.822 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236753897 474286270 /nfs/dbraw/zinc/28/62/70/474286270.db2.gz NCWLXVMPWVWVSF-DOMZBBRYSA-N 1 0 339.461 2.907 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236841538 474292788 /nfs/dbraw/zinc/29/27/88/474292788.db2.gz LPNMQKGHHLMHAT-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289490441 474294675 /nfs/dbraw/zinc/29/46/75/474294675.db2.gz JAIREVRYEKUKGT-IKGGRYGDSA-N 1 0 332.400 2.662 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@@H]1c1nccn1C ZINC000275729830 474297026 /nfs/dbraw/zinc/29/70/26/474297026.db2.gz ZRGUTBXJYUBECD-HOTGVXAUSA-N 1 0 330.388 2.647 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000248375152 474299588 /nfs/dbraw/zinc/29/95/88/474299588.db2.gz VVDBITHFEITYEH-WBVHZDCISA-N 1 0 342.395 2.954 20 5 EFBDRO Cc1ccncc1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000289516183 474304154 /nfs/dbraw/zinc/30/41/54/474304154.db2.gz DKYLGQPWYSWERU-UHFFFAOYSA-N 1 0 325.372 2.897 20 5 EFBDRO O=C(CC[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000189145525 474305698 /nfs/dbraw/zinc/30/56/98/474305698.db2.gz QWEMBBJPCSBSIN-QGZVFWFLSA-N 1 0 347.415 2.814 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000248399304 474306508 /nfs/dbraw/zinc/30/65/08/474306508.db2.gz VQRHKMFNJYJUNG-QGPMSJSTSA-N 1 0 347.459 2.962 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000275755318 474306644 /nfs/dbraw/zinc/30/66/44/474306644.db2.gz BRKYBCRQDSSENR-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000289523988 474308399 /nfs/dbraw/zinc/30/83/99/474308399.db2.gz BGOBDEVCEHKBAD-UHFFFAOYSA-N 1 0 332.141 2.794 20 5 EFBDRO COC[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000265739266 474316829 /nfs/dbraw/zinc/31/68/29/474316829.db2.gz BPZLXSFHKAFJLT-ZDUSSCGKSA-N 1 0 331.372 2.761 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183062140 474318591 /nfs/dbraw/zinc/31/85/91/474318591.db2.gz HZQPIXZCDVZSFO-UHFFFAOYSA-N 1 0 344.367 2.779 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000265761131 474325748 /nfs/dbraw/zinc/32/57/48/474325748.db2.gz KIGSFWQCJSHMAN-JKSUJKDBSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000265761129 474326348 /nfs/dbraw/zinc/32/63/48/474326348.db2.gz KIGSFWQCJSHMAN-HOTGVXAUSA-N 1 0 331.416 2.615 20 5 EFBDRO C[S@](=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183120103 474332628 /nfs/dbraw/zinc/33/26/28/474332628.db2.gz KTUGMBCEDJSHMU-OWJWWREXSA-N 1 0 348.424 2.683 20 5 EFBDRO CCOc1cccc(NC2CC[NH+](CCCOC)CC2)c1[N+](=O)[O-] ZINC000183148177 474337224 /nfs/dbraw/zinc/33/72/24/474337224.db2.gz BGHQPKFHNYJQCC-UHFFFAOYSA-N 1 0 337.420 2.906 20 5 EFBDRO Cc1c(CC(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183168377 474343180 /nfs/dbraw/zinc/34/31/80/474343180.db2.gz QRFYHYAYRZKSKV-AWEZNQCLSA-N 1 0 333.432 2.826 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270968902 474343651 /nfs/dbraw/zinc/34/36/51/474343651.db2.gz PRPNOFSIPVLQDG-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO COCCO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000275889806 474353000 /nfs/dbraw/zinc/35/30/00/474353000.db2.gz XSLHFJZRQCSPAK-AWEZNQCLSA-N 1 0 331.372 2.693 20 5 EFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237187714 474353252 /nfs/dbraw/zinc/35/32/52/474353252.db2.gz OSTKOHJGFPJBBD-ZDUSSCGKSA-N 1 0 342.399 2.924 20 5 EFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283276736 474357983 /nfs/dbraw/zinc/35/79/83/474357983.db2.gz WYNPUJHPDDWNHQ-UHFFFAOYSA-N 1 0 325.384 2.764 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248563290 474357990 /nfs/dbraw/zinc/35/79/90/474357990.db2.gz NUVMKBMJTXMUBM-MBNYWOFBSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248563292 474358226 /nfs/dbraw/zinc/35/82/26/474358226.db2.gz NUVMKBMJTXMUBM-SGMGOOAPSA-N 1 0 335.404 2.956 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324814 474359966 /nfs/dbraw/zinc/35/99/66/474359966.db2.gz ROUKGUQHNQGBLN-UONOGXRCSA-N 1 0 333.413 2.967 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000271009211 474365616 /nfs/dbraw/zinc/36/56/16/474365616.db2.gz XDNJWSPOCAQXGB-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237256765 474368798 /nfs/dbraw/zinc/36/87/98/474368798.db2.gz KTCXCCJTMABJEF-ZDUSSCGKSA-N 1 0 337.807 2.596 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000248589705 474369163 /nfs/dbraw/zinc/36/91/63/474369163.db2.gz KQCHZXKOQSXQQC-DVOMOZLQSA-N 1 0 335.404 2.777 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248592253 474370263 /nfs/dbraw/zinc/37/02/63/474370263.db2.gz ROQDUCLXHVPRDK-CHWSQXEVSA-N 1 0 337.395 2.638 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000237280673 474373489 /nfs/dbraw/zinc/37/34/89/474373489.db2.gz JUSQPPGOFAVQOJ-ZDUSSCGKSA-N 1 0 325.434 2.762 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237325040 474382897 /nfs/dbraw/zinc/38/28/97/474382897.db2.gz REZBNCIVEWLEAQ-CJNGLKHVSA-N 1 0 327.384 2.650 20 5 EFBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000248626935 474384225 /nfs/dbraw/zinc/38/42/25/474384225.db2.gz OMMJXWMDIGMASD-SWLSCSKDSA-N 1 0 337.395 2.659 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000271053644 474387423 /nfs/dbraw/zinc/38/74/23/474387423.db2.gz UGRJVIMXOXOWCF-VFNNOXKTSA-N 1 0 331.416 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000283396750 474392595 /nfs/dbraw/zinc/39/25/95/474392595.db2.gz GWDMRYFMFDRUOQ-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000271061960 474392911 /nfs/dbraw/zinc/39/29/11/474392911.db2.gz CICGIVQIIHUDTO-LBPRGKRZSA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237389718 474393919 /nfs/dbraw/zinc/39/39/19/474393919.db2.gz ZTDBKJZRRHLLTH-ZDUSSCGKSA-N 1 0 342.399 2.532 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C[NH2+]1 ZINC000237385848 474394301 /nfs/dbraw/zinc/39/43/01/474394301.db2.gz MFVMIMPBBNCUNG-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000289722571 474394924 /nfs/dbraw/zinc/39/49/24/474394924.db2.gz LIYAKHBSIFLINE-KBPBESRZSA-N 1 0 331.416 2.574 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000289728831 474397791 /nfs/dbraw/zinc/39/77/91/474397791.db2.gz IUHXXBLJXCVURW-ZDUSSCGKSA-N 1 0 334.420 2.963 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CC(C)C ZINC000183602179 474398090 /nfs/dbraw/zinc/39/80/90/474398090.db2.gz AYAXAFOIIKVHKC-ZDUSSCGKSA-N 1 0 337.424 2.868 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237416397 474398984 /nfs/dbraw/zinc/39/89/84/474398984.db2.gz QDZCQJJQZNPRHX-BBRMVZONSA-N 1 0 334.420 2.515 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189468083 474407802 /nfs/dbraw/zinc/40/78/02/474407802.db2.gz VGOQTXLVSQYCMG-OLZOCXBDSA-N 1 0 346.431 2.560 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189470042 474409957 /nfs/dbraw/zinc/40/99/57/474409957.db2.gz BXSXSXHAMPYLEM-UHFFFAOYSA-N 1 0 331.338 2.959 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283475558 474412513 /nfs/dbraw/zinc/41/25/13/474412513.db2.gz JXHJUTWJXLQJNO-ZDUSSCGKSA-N 1 0 339.823 2.797 20 5 EFBDRO C[N@H+](CCCOc1cccc(Cl)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000176213821 474412913 /nfs/dbraw/zinc/41/29/13/474412913.db2.gz VCYPABPJZFXHHC-UHFFFAOYSA-N 1 0 338.795 2.846 20 5 EFBDRO Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000289774560 474421442 /nfs/dbraw/zinc/42/14/42/474421442.db2.gz RJTPLZWDIAEGJU-STQMWFEESA-N 1 0 332.322 2.896 20 5 EFBDRO COc1cc(C[NH2+][C@H]2COc3c(C)cccc3C2)c([N+](=O)[O-])cc1O ZINC000289789511 474427204 /nfs/dbraw/zinc/42/72/04/474427204.db2.gz YOURUGVKNLMOME-CQSZACIVSA-N 1 0 344.367 2.711 20 5 EFBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237640526 474446579 /nfs/dbraw/zinc/44/65/79/474446579.db2.gz WYGMUOUHINNRRP-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccnc2)CC1 ZINC000283616630 474450459 /nfs/dbraw/zinc/45/04/59/474450459.db2.gz SEVHTUKULPOEAS-UHFFFAOYSA-N 1 0 340.383 2.515 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCOCCO)C(C)C ZINC000283633470 474453521 /nfs/dbraw/zinc/45/35/21/474453521.db2.gz BTEOTBBDDCKFQN-UHFFFAOYSA-N 1 0 340.420 2.601 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000237666831 474453576 /nfs/dbraw/zinc/45/35/76/474453576.db2.gz SNABUCHNGDULBR-UHFFFAOYSA-N 1 0 348.447 2.601 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000271231790 474455385 /nfs/dbraw/zinc/45/53/85/474455385.db2.gz CGCLJSKNKYQSLR-BXUZGUMPSA-N 1 0 343.221 2.950 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176403630 474463691 /nfs/dbraw/zinc/46/36/91/474463691.db2.gz UOJBPSIIVVZOQC-AWEZNQCLSA-N 1 0 336.436 2.995 20 5 EFBDRO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266749802 474470055 /nfs/dbraw/zinc/47/00/55/474470055.db2.gz BXNRLOAZMNYEJX-OAHLLOKOSA-N 1 0 333.432 2.890 20 5 EFBDRO Cc1cccc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000266752500 474471165 /nfs/dbraw/zinc/47/11/65/474471165.db2.gz QPMRTBDVKFUOIH-KRWDZBQOSA-N 1 0 344.415 2.520 20 5 EFBDRO Cc1cccc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000266752503 474471552 /nfs/dbraw/zinc/47/15/52/474471552.db2.gz QPMRTBDVKFUOIH-QGZVFWFLSA-N 1 0 344.415 2.520 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](OCCO)C1 ZINC000289903238 474479085 /nfs/dbraw/zinc/47/90/85/474479085.db2.gz NGEAYSYGBQXAFG-GFCCVEGCSA-N 1 0 349.214 2.875 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266779068 474479867 /nfs/dbraw/zinc/47/98/67/474479867.db2.gz CEZUNCKNFIRGHJ-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]([C@@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276282782 474480404 /nfs/dbraw/zinc/48/04/04/474480404.db2.gz FSZFPRAOKGYEMG-ZDUSSCGKSA-N 1 0 349.431 2.857 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1[NH+](C)C ZINC000271308064 474487008 /nfs/dbraw/zinc/48/70/08/474487008.db2.gz IAVFRLBCPZUFOA-YPMHNXCESA-N 1 0 347.387 2.678 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266825322 474495361 /nfs/dbraw/zinc/49/53/61/474495361.db2.gz CTQYZJRZPIULMD-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176548194 474496589 /nfs/dbraw/zinc/49/65/89/474496589.db2.gz FEMCETOVUGRJIM-OLZOCXBDSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266851016 474504192 /nfs/dbraw/zinc/50/41/92/474504192.db2.gz IUXQUSQEBMZHGK-CQSZACIVSA-N 1 0 348.424 2.860 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000184354284 474504282 /nfs/dbraw/zinc/50/42/82/474504282.db2.gz MQLRSFMNPQHNBG-SCRDCRAPSA-N 1 0 335.379 2.533 20 5 EFBDRO Cc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000276348872 474505772 /nfs/dbraw/zinc/50/57/72/474505772.db2.gz HGQQYLHFTADGIR-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237935962 474507916 /nfs/dbraw/zinc/50/79/16/474507916.db2.gz FNBPWGPGRHXYCJ-KRWDZBQOSA-N 1 0 342.399 2.603 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000237937408 474508290 /nfs/dbraw/zinc/50/82/90/474508290.db2.gz QXNYPSDNJNOKQI-INIZCTEOSA-N 1 0 327.384 2.734 20 5 EFBDRO COC[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289979331 474511200 /nfs/dbraw/zinc/51/12/00/474511200.db2.gz WQABCOVNOLJBAP-IBGZPJMESA-N 1 0 342.395 2.799 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249050963 474512430 /nfs/dbraw/zinc/51/24/30/474512430.db2.gz IBFVSQWIPFBUMB-OFQRWUPVSA-N 1 0 333.432 2.762 20 5 EFBDRO CCN1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000276375029 474516352 /nfs/dbraw/zinc/51/63/52/474516352.db2.gz XSCOOAPXIJCQOQ-UHFFFAOYSA-N 1 0 328.372 2.510 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)s2)cc1 ZINC000237988845 474516616 /nfs/dbraw/zinc/51/66/16/474516616.db2.gz AJQSWNLONWSTPN-UHFFFAOYSA-N 1 0 347.440 2.745 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000276381115 474519608 /nfs/dbraw/zinc/51/96/08/474519608.db2.gz DIICTPRUUQVDLA-UHFFFAOYSA-N 1 0 336.436 2.679 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266900555 474523014 /nfs/dbraw/zinc/52/30/14/474523014.db2.gz UDGWDEGKGXOTEF-AWEZNQCLSA-N 1 0 327.384 2.984 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000276390978 474523420 /nfs/dbraw/zinc/52/34/20/474523420.db2.gz FOPQLJLGYOSWON-UHFFFAOYSA-N 1 0 339.440 2.635 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC000290016700 474527907 /nfs/dbraw/zinc/52/79/07/474527907.db2.gz JOPOTMBQVTWEGV-UHFFFAOYSA-N 1 0 331.416 2.662 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266926877 474533759 /nfs/dbraw/zinc/53/37/59/474533759.db2.gz ZOSKAMRKHLYAHK-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO Cc1c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000276415130 474533933 /nfs/dbraw/zinc/53/39/33/474533933.db2.gz PPAYWJSXNHDBSI-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276417075 474535825 /nfs/dbraw/zinc/53/58/25/474535825.db2.gz NDNKWOBAZNRZPQ-HIFRSBDPSA-N 1 0 332.404 2.960 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000238123367 474538072 /nfs/dbraw/zinc/53/80/72/474538072.db2.gz JAANTZPPZQVUKC-OAHLLOKOSA-N 1 0 340.383 2.820 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1nccs1 ZINC000271425964 474540705 /nfs/dbraw/zinc/54/07/05/474540705.db2.gz BHGYADWXRZKICD-LBPRGKRZSA-N 1 0 348.428 2.991 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290083720 474551529 /nfs/dbraw/zinc/55/15/29/474551529.db2.gz JBCBKSPSDXTIIP-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(N)=O)C1 ZINC000190145070 474554236 /nfs/dbraw/zinc/55/42/36/474554236.db2.gz HAQWTSLKAZGZTE-LRDDRELGSA-N 1 0 343.383 2.941 20 5 EFBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000290097763 474556866 /nfs/dbraw/zinc/55/68/66/474556866.db2.gz ZZOOCEKMGGRHSO-NSHDSACASA-N 1 0 337.376 2.773 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000276483038 474561172 /nfs/dbraw/zinc/56/11/72/474561172.db2.gz QYJLFFONVZOSLY-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271477245 474565110 /nfs/dbraw/zinc/56/51/10/474565110.db2.gz WVEKIGPAZWQVKJ-HNNXBMFYSA-N 1 0 336.388 2.769 20 5 EFBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000271506504 474573851 /nfs/dbraw/zinc/57/38/51/474573851.db2.gz NYOJOLONMJMHMJ-IMJJTQAJSA-N 1 0 340.445 2.991 20 5 EFBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000271506507 474574045 /nfs/dbraw/zinc/57/40/45/474574045.db2.gz NYOJOLONMJMHMJ-KBMXLJTQSA-N 1 0 340.445 2.991 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+](CC)CC)c1 ZINC000284169791 474586918 /nfs/dbraw/zinc/58/69/18/474586918.db2.gz XOWLDXICDAGCJQ-UHFFFAOYSA-N 1 0 337.420 2.845 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000184693746 474587556 /nfs/dbraw/zinc/58/75/56/474587556.db2.gz BWPGISKUIOQUCG-MRXNPFEDSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c([N+](=O)[O-])cc1O ZINC000271795458 474591809 /nfs/dbraw/zinc/59/18/09/474591809.db2.gz HSXLDVVSFCWGKY-GFCCVEGCSA-N 1 0 338.404 2.587 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000184733561 474597111 /nfs/dbraw/zinc/59/71/11/474597111.db2.gz DHLPMDQDVKZJAR-HIFRSBDPSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000184733600 474597299 /nfs/dbraw/zinc/59/72/99/474597299.db2.gz DHLPMDQDVKZJAR-ZFWWWQNUSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000184733618 474597763 /nfs/dbraw/zinc/59/77/63/474597763.db2.gz DHLPMDQDVKZJAR-DZGCQCFKSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184758302 474602186 /nfs/dbraw/zinc/60/21/86/474602186.db2.gz HDUCUXNNICAFKJ-KRWDZBQOSA-N 1 0 347.459 2.964 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2CCCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267158034 474604349 /nfs/dbraw/zinc/60/43/49/474604349.db2.gz FBALZNATEOJEHR-CQSZACIVSA-N 1 0 332.429 2.981 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249735534 474608803 /nfs/dbraw/zinc/60/88/03/474608803.db2.gz FBDWPODDJCRSMA-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000267185905 474611912 /nfs/dbraw/zinc/61/19/12/474611912.db2.gz GKTOMICTWCQPEH-ZDUSSCGKSA-N 1 0 348.403 2.695 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000249756808 474612275 /nfs/dbraw/zinc/61/22/75/474612275.db2.gz DOGNFRHJNUSRNZ-CABCVRRESA-N 1 0 348.447 2.857 20 5 EFBDRO COc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1[N+](=O)[O-] ZINC000609133312 480115732 /nfs/dbraw/zinc/11/57/32/480115732.db2.gz JKJRHSVHDNHEMX-UHFFFAOYSA-N 1 0 328.368 2.910 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000267192847 474614109 /nfs/dbraw/zinc/61/41/09/474614109.db2.gz DLIZZGOYEPEGHA-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000249771277 474614622 /nfs/dbraw/zinc/61/46/22/474614622.db2.gz JLIOPWLUYMIRDA-BBWFWOEESA-N 1 0 342.399 2.652 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000609135888 480115938 /nfs/dbraw/zinc/11/59/38/480115938.db2.gz ZDXFAJGLJZGDSW-CYBMUJFWSA-N 1 0 331.372 2.944 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000249835957 474619405 /nfs/dbraw/zinc/61/94/05/474619405.db2.gz WHQCLXPZWFAFCB-GPMSIDNRSA-N 1 0 347.459 2.711 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267227516 474622826 /nfs/dbraw/zinc/62/28/26/474622826.db2.gz KLRDPIJALGORBA-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267260445 474631512 /nfs/dbraw/zinc/63/15/12/474631512.db2.gz WSESFJJMMBXRBZ-CYBMUJFWSA-N 1 0 348.403 2.838 20 5 EFBDRO Cc1cc(N[C@H](C)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272881255 474632777 /nfs/dbraw/zinc/63/27/77/474632777.db2.gz VKUZKZHFUOMCFD-CYBMUJFWSA-N 1 0 330.388 2.584 20 5 EFBDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284404015 474633889 /nfs/dbraw/zinc/63/38/89/474633889.db2.gz CLKWYXSMVXSWGH-RDJZCZTQSA-N 1 0 330.388 2.992 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1Br ZINC000267280505 474636781 /nfs/dbraw/zinc/63/67/81/474636781.db2.gz VDNOLRKLIFPQBN-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000267299007 474641451 /nfs/dbraw/zinc/64/14/51/474641451.db2.gz PRAZELSJLBPHDZ-QWHCGFSZSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[N@H+](CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291681240 474647809 /nfs/dbraw/zinc/64/78/09/474647809.db2.gz FHBVTVYNLSGSHS-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291730266 474658830 /nfs/dbraw/zinc/65/88/30/474658830.db2.gz IGKCRKROUQGZRZ-PBHICJAKSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000267366339 474659198 /nfs/dbraw/zinc/65/91/98/474659198.db2.gz JBGQYQSMTRRHLC-HUUCEWRRSA-N 1 0 348.447 2.706 20 5 EFBDRO Cc1cc(NCCCc2cnn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292858816 474679831 /nfs/dbraw/zinc/67/98/31/474679831.db2.gz RYCXIVAWQNETIL-UHFFFAOYSA-N 1 0 326.360 2.625 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000273029705 474681471 /nfs/dbraw/zinc/68/14/71/474681471.db2.gz UUVOAIKLMABBGH-VIFPVBQESA-N 1 0 341.209 2.815 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000291795388 474690339 /nfs/dbraw/zinc/69/03/39/474690339.db2.gz PHSDNTHGPXFIRO-GFCCVEGCSA-N 1 0 325.796 2.739 20 5 EFBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278546813 474694955 /nfs/dbraw/zinc/69/49/55/474694955.db2.gz AXRARTBAPZGVBH-SJCJKPOMSA-N 1 0 348.424 2.953 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273104425 474717081 /nfs/dbraw/zinc/71/70/81/474717081.db2.gz BLHJLELEYZZZQA-JTQLQIEISA-N 1 0 345.852 2.797 20 5 EFBDRO Cn1ncc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000292930677 474720259 /nfs/dbraw/zinc/72/02/59/474720259.db2.gz JABPHMKMEOSUQK-UHFFFAOYSA-N 1 0 341.371 2.706 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000305314615 474730369 /nfs/dbraw/zinc/73/03/69/474730369.db2.gz MNVIZUGQMDIXQQ-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000267976841 474733835 /nfs/dbraw/zinc/73/38/35/474733835.db2.gz NRXQGBHDXNABHZ-JSGCOSHPSA-N 1 0 331.416 2.614 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421115 474740031 /nfs/dbraw/zinc/74/00/31/474740031.db2.gz GXXKOVPFRYGCNC-RWMBFGLXSA-N 1 0 337.395 2.779 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344445446 474746715 /nfs/dbraw/zinc/74/67/15/474746715.db2.gz XVUWBKWQLVKCED-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO CCc1oc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000338944084 474760066 /nfs/dbraw/zinc/76/00/66/474760066.db2.gz OVNDSFFATHSKME-UHFFFAOYSA-N 1 0 332.356 2.869 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[C@H]1O ZINC000305745323 474764249 /nfs/dbraw/zinc/76/42/49/474764249.db2.gz NUBOFCDJYCQMRU-GXFFZTMASA-N 1 0 330.331 2.789 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293010752 474764306 /nfs/dbraw/zinc/76/43/06/474764306.db2.gz PSJFRGJEXALYEA-UHFFFAOYSA-N 1 0 327.384 2.721 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278674394 474770210 /nfs/dbraw/zinc/77/02/10/474770210.db2.gz LTTYPDDQTQSDPR-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284789182 474771814 /nfs/dbraw/zinc/77/18/14/474771814.db2.gz MCRXANCIGQGGJR-SIUPPRGNSA-N 1 0 334.416 2.908 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278692171 474778747 /nfs/dbraw/zinc/77/87/47/474778747.db2.gz MXGPWPWTXPNOII-AWEZNQCLSA-N 1 0 340.383 2.818 20 5 EFBDRO CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000340923667 474783284 /nfs/dbraw/zinc/78/32/84/474783284.db2.gz WGWMSQWRFBBHIS-INIZCTEOSA-N 1 0 345.403 2.887 20 5 EFBDRO Cn1ncc(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000293056616 474790447 /nfs/dbraw/zinc/79/04/47/474790447.db2.gz ULXPXSVCPDIGQT-UHFFFAOYSA-N 1 0 341.371 2.706 20 5 EFBDRO CCOc1cc(C[NH2+][C@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617198777 480126795 /nfs/dbraw/zinc/12/67/95/480126795.db2.gz BQNIPPSFFPXFCT-GOSISDBHSA-N 1 0 330.384 2.991 20 5 EFBDRO COc1cc(C[NH2+]CCc2c[nH]c3ncccc23)c([N+](=O)[O-])cc1O ZINC000344852826 474801131 /nfs/dbraw/zinc/80/11/31/474801131.db2.gz WZWRJSXZXVIDHV-UHFFFAOYSA-N 1 0 342.355 2.518 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000293110239 474819445 /nfs/dbraw/zinc/81/94/45/474819445.db2.gz QVRVRFIVOBCPMF-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000284905255 474821408 /nfs/dbraw/zinc/82/14/08/474821408.db2.gz UYYRZRBLTVIXGP-OAHLLOKOSA-N 1 0 335.360 2.942 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000292052033 474821621 /nfs/dbraw/zinc/82/16/21/474821621.db2.gz STRAZFRKKZOTLI-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268146681 474824403 /nfs/dbraw/zinc/82/44/03/474824403.db2.gz OFMHCPQMTJWUPR-LLVKDONJSA-N 1 0 342.827 2.778 20 5 EFBDRO Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000310473597 474825783 /nfs/dbraw/zinc/82/57/83/474825783.db2.gz CBKLBXDJHAYLGX-UHFFFAOYSA-N 1 0 327.388 2.649 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000337251142 474827866 /nfs/dbraw/zinc/82/78/66/474827866.db2.gz KIYGCGIBHWRFDV-XPKDYRNWSA-N 1 0 340.807 2.610 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000337253514 474828976 /nfs/dbraw/zinc/82/89/76/474828976.db2.gz LSZBWXOVQCAJTI-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284934102 474831154 /nfs/dbraw/zinc/83/11/54/474831154.db2.gz DNUPIHWGSABZGP-LLVKDONJSA-N 1 0 329.356 2.799 20 5 EFBDRO C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000255329164 474836131 /nfs/dbraw/zinc/83/61/31/474836131.db2.gz YJBXOEXBZCJMLH-UTQLBYGMSA-N 1 0 340.383 2.914 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284977869 474850364 /nfs/dbraw/zinc/85/03/64/474850364.db2.gz GAHZFDGZMVKSMJ-JSGCOSHPSA-N 1 0 327.388 2.502 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279001 474853082 /nfs/dbraw/zinc/85/30/82/474853082.db2.gz GJIPMMLVMRNHRV-CHWSQXEVSA-N 1 0 344.314 2.711 20 5 EFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)Cc1ccccc1 ZINC000293190565 474860619 /nfs/dbraw/zinc/86/06/19/474860619.db2.gz FDISWTFFNBHCOL-HNNXBMFYSA-N 1 0 341.367 2.771 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273370199 474863864 /nfs/dbraw/zinc/86/38/64/474863864.db2.gz BTENCJBXKFOXLQ-HZPDHXFCSA-N 1 0 348.378 2.783 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293207053 474868644 /nfs/dbraw/zinc/86/86/44/474868644.db2.gz RBYCAWRUTIAYOO-BXUZGUMPSA-N 1 0 332.360 2.553 20 5 EFBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255567192 474874638 /nfs/dbraw/zinc/87/46/38/474874638.db2.gz ZDGFIQNLHCYETF-GPCFVJJQSA-N 1 0 343.427 2.846 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000255593227 474879543 /nfs/dbraw/zinc/87/95/43/474879543.db2.gz SQPUMONKFBORHP-NRXPATIISA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293250837 474890928 /nfs/dbraw/zinc/89/09/28/474890928.db2.gz TZCDSDOIAXRMPS-QWHCGFSZSA-N 1 0 346.387 2.800 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293256886 474894230 /nfs/dbraw/zinc/89/42/30/474894230.db2.gz FYHNRCIPTQFKSN-NEPJUHHUSA-N 1 0 325.434 2.709 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000255753264 474898208 /nfs/dbraw/zinc/89/82/08/474898208.db2.gz FFUDIIGHNHBFCO-IBCRXROYSA-N 1 0 329.400 2.551 20 5 EFBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285124841 474900156 /nfs/dbraw/zinc/90/01/56/474900156.db2.gz NWSLCDYKLICNPB-UHFFFAOYSA-N 1 0 343.387 2.599 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268285171 474906139 /nfs/dbraw/zinc/90/61/39/474906139.db2.gz XYAIOKZBTPYHTO-HZMBPMFUSA-N 1 0 335.429 2.529 20 5 EFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000273457664 474908043 /nfs/dbraw/zinc/90/80/43/474908043.db2.gz DXRAJGZKRUOVSK-FZDCUMRKSA-N 1 0 329.400 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000339083740 474912265 /nfs/dbraw/zinc/91/22/65/474912265.db2.gz LCCVCOXIKMQVBP-WFBYXXMGSA-N 1 0 330.306 2.816 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255886984 474913345 /nfs/dbraw/zinc/91/33/45/474913345.db2.gz YUBHOJCPJYRFAO-UXHZXRBQSA-N 1 0 343.427 2.942 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292232196 474916857 /nfs/dbraw/zinc/91/68/57/474916857.db2.gz VYAKMMLVHMCAOC-AWEZNQCLSA-N 1 0 348.374 2.999 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+]1CCCC1 ZINC000273475198 474917919 /nfs/dbraw/zinc/91/79/19/474917919.db2.gz HQVXVVMCWWBZGH-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292243453 474920285 /nfs/dbraw/zinc/92/02/85/474920285.db2.gz DESBTSGWNLAEKG-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000292245070 474921662 /nfs/dbraw/zinc/92/16/62/474921662.db2.gz OMVVYCJLGMKBCU-QGZVFWFLSA-N 1 0 345.424 2.977 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273485464 474924090 /nfs/dbraw/zinc/92/40/90/474924090.db2.gz RJHUGLSTOWPMJH-NSHDSACASA-N 1 0 338.383 2.928 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285250035 474945249 /nfs/dbraw/zinc/94/52/49/474945249.db2.gz HDHUIDQDBZSAON-OAHLLOKOSA-N 1 0 344.367 2.717 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293369051 474948032 /nfs/dbraw/zinc/94/80/32/474948032.db2.gz JAEQZAWFMISBKH-XQQFMLRXSA-N 1 0 345.403 2.730 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293367823 474948185 /nfs/dbraw/zinc/94/81/85/474948185.db2.gz FNAXVTDPBCOFGU-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1occc1C ZINC000292298018 474948415 /nfs/dbraw/zinc/94/84/15/474948415.db2.gz MPEJHSXZSMEMFE-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)C1 ZINC000292307367 474953054 /nfs/dbraw/zinc/95/30/54/474953054.db2.gz NYRRKRCFWIRPOL-CQSZACIVSA-N 1 0 340.221 2.889 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273545215 474955184 /nfs/dbraw/zinc/95/51/84/474955184.db2.gz UNKISNZTVXEPJI-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292312422 474956414 /nfs/dbraw/zinc/95/64/14/474956414.db2.gz NMBLQNNASBURHK-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279161356 474963648 /nfs/dbraw/zinc/96/36/48/474963648.db2.gz BKDXIBZXJWUYPL-DAXOMENPSA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292357103 474979977 /nfs/dbraw/zinc/97/99/77/474979977.db2.gz QCYFKCFUMYWZEI-HNNXBMFYSA-N 1 0 333.432 2.780 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273593929 474980600 /nfs/dbraw/zinc/98/06/00/474980600.db2.gz HUQPJQWYOMWJFJ-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373090 474988605 /nfs/dbraw/zinc/98/86/05/474988605.db2.gz JAHZLCBKTXRHOS-QWHCGFSZSA-N 1 0 337.445 2.997 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000292380772 474994048 /nfs/dbraw/zinc/99/40/48/474994048.db2.gz JRSDIJQUJBGNQG-CXMBCZLWSA-N 1 0 348.424 2.982 20 5 EFBDRO COc1cccc(C=C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000268463838 474995399 /nfs/dbraw/zinc/99/53/99/474995399.db2.gz LIFQXIIZIJFNOB-UHFFFAOYSA-N 1 0 342.399 2.979 20 5 EFBDRO CSC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000292415281 475014602 /nfs/dbraw/zinc/01/46/02/475014602.db2.gz MJSGINJVISCVMX-ZDUSSCGKSA-N 1 0 349.456 2.559 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328401124 475028399 /nfs/dbraw/zinc/02/83/99/475028399.db2.gz DRZFWGYOAACFKE-CYBMUJFWSA-N 1 0 325.368 2.681 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261698637 475029273 /nfs/dbraw/zinc/02/92/73/475029273.db2.gz JRDACDARYGTIEB-CQSZACIVSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000292443022 475030025 /nfs/dbraw/zinc/03/00/25/475030025.db2.gz XEWMIVPKGSGAAR-CYBMUJFWSA-N 1 0 346.431 2.780 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261699686 475030919 /nfs/dbraw/zinc/03/09/19/475030919.db2.gz HZUUXFDBQPIVMB-RKDXNWHRSA-N 1 0 340.767 2.922 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261699683 475031348 /nfs/dbraw/zinc/03/13/48/475031348.db2.gz HZUUXFDBQPIVMB-IUCAKERBSA-N 1 0 340.767 2.922 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000341286071 475038244 /nfs/dbraw/zinc/03/82/44/475038244.db2.gz PYIDGYURCKGHFT-UKRRQHHQSA-N 1 0 326.400 2.973 20 5 EFBDRO CN(C)[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912811 475066919 /nfs/dbraw/zinc/06/69/19/475066919.db2.gz IEKCZOHFNSXURE-FUHWJXTLSA-N 1 0 349.500 2.943 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261801088 475067293 /nfs/dbraw/zinc/06/72/93/475067293.db2.gz LBLQFMFYGBCXAS-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO CCOc1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCC3)no2)cc1OC ZINC000261800076 475067621 /nfs/dbraw/zinc/06/76/21/475067621.db2.gz PBBBXFYGEADDDZ-UHFFFAOYSA-N 1 0 348.359 2.780 20 5 EFBDRO CSC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292527663 475071650 /nfs/dbraw/zinc/07/16/50/475071650.db2.gz WUBZGRMAMUHQFR-ZDUSSCGKSA-N 1 0 337.445 2.998 20 5 EFBDRO COC[C@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261835040 475080555 /nfs/dbraw/zinc/08/05/55/475080555.db2.gz IJFARETVPAUDSL-CYBMUJFWSA-N 1 0 333.310 2.794 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000341492085 475088365 /nfs/dbraw/zinc/08/83/65/475088365.db2.gz WEKICYKNPWXHKN-CYBMUJFWSA-N 1 0 329.404 2.966 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000287138133 475095544 /nfs/dbraw/zinc/09/55/44/475095544.db2.gz YALCRDHMGRPILV-CRAIPNDOSA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268997016 475118247 /nfs/dbraw/zinc/11/82/47/475118247.db2.gz IECIESUDJFTJQL-XWIAVFTESA-N 1 0 329.444 2.988 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281217299 475120336 /nfs/dbraw/zinc/12/03/36/475120336.db2.gz BLTWFGIHZJZEFF-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000287388980 475125344 /nfs/dbraw/zinc/12/53/44/475125344.db2.gz ROMLHJHQGFBBJE-LBPRGKRZSA-N 1 0 347.444 2.912 20 5 EFBDRO C[NH+](C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)c1 ZINC000273933797 475126099 /nfs/dbraw/zinc/12/60/99/475126099.db2.gz RMZICWHCGHDUDO-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000269018224 475129814 /nfs/dbraw/zinc/12/98/14/475129814.db2.gz OULNWGLMVYVVEJ-RHSMWYFYSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000287407473 475133585 /nfs/dbraw/zinc/13/35/85/475133585.db2.gz SOFUYJAXSQXKHY-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000269030939 475137202 /nfs/dbraw/zinc/13/72/02/475137202.db2.gz SDMNKKSSEXPJNE-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269050485 475148250 /nfs/dbraw/zinc/14/82/50/475148250.db2.gz KHSWIEPHSCJFKA-GOSISDBHSA-N 1 0 341.411 2.604 20 5 EFBDRO CC[C@H](C)[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000287460760 475159268 /nfs/dbraw/zinc/15/92/68/475159268.db2.gz RGHPOZWUKQLLNS-JTQLQIEISA-N 1 0 348.346 2.798 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000262068975 475163051 /nfs/dbraw/zinc/16/30/51/475163051.db2.gz OXBAGWOLCRLCRN-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287520544 475181195 /nfs/dbraw/zinc/18/11/95/475181195.db2.gz VGBQZSKSDJOIBK-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000292772398 475190359 /nfs/dbraw/zinc/19/03/59/475190359.db2.gz SIPLRYKBUFYKJU-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000296146235 475208908 /nfs/dbraw/zinc/20/89/08/475208908.db2.gz XOWHAAAFCQAQQN-IMJJTQAJSA-N 1 0 347.371 2.940 20 5 EFBDRO Cn1ccnc1[C@H]1N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296149092 475209060 /nfs/dbraw/zinc/20/90/60/475209060.db2.gz KJBKRJASMHOHAS-ROJDOSBLSA-N 1 0 340.383 2.951 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000296173778 475215388 /nfs/dbraw/zinc/21/53/88/475215388.db2.gz GBVZJTXFAVVQQG-LLVKDONJSA-N 1 0 336.367 2.682 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCO[C@@H]21 ZINC000296187928 475218357 /nfs/dbraw/zinc/21/83/57/475218357.db2.gz LOPSEVAFXCEBCT-CFVMTHIKSA-N 1 0 344.371 2.548 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296191709 475220302 /nfs/dbraw/zinc/22/03/02/475220302.db2.gz UWBIOYAXHWCEHW-ZDUSSCGKSA-N 1 0 345.403 2.799 20 5 EFBDRO CC(=O)N[C@H](C)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000361156513 475230099 /nfs/dbraw/zinc/23/00/99/475230099.db2.gz SHIZSGSFDZUCFD-HZRUHFOJSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361159168 475230972 /nfs/dbraw/zinc/23/09/72/475230972.db2.gz ISGMEYZDVBPDNU-HUUCEWRRSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347328434 475234890 /nfs/dbraw/zinc/23/48/90/475234890.db2.gz AHUWBESNACVISU-SWLSCSKDSA-N 1 0 349.406 2.971 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328745 475235877 /nfs/dbraw/zinc/23/58/77/475235877.db2.gz CEAZXIMBHLQMQR-BBRMVZONSA-N 1 0 330.344 2.571 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000347331683 475237949 /nfs/dbraw/zinc/23/79/49/475237949.db2.gz FWHOUEHHBJHIIL-JIIJFUIFSA-N 1 0 329.400 2.741 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000347331686 475238069 /nfs/dbraw/zinc/23/80/69/475238069.db2.gz FWHOUEHHBJHIIL-QFSNBGPKSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357899724 475244691 /nfs/dbraw/zinc/24/46/91/475244691.db2.gz NNTNYRPPEVBBAR-UHFFFAOYSA-N 1 0 331.416 2.520 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262467593 475246734 /nfs/dbraw/zinc/24/67/34/475246734.db2.gz XYDQRBXDTQHZRG-GOSISDBHSA-N 1 0 339.395 2.531 20 5 EFBDRO CNc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361180713 475250616 /nfs/dbraw/zinc/25/06/16/475250616.db2.gz UETWBTDCTSYILC-MJBXVCDLSA-N 1 0 348.447 2.733 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386361 480155814 /nfs/dbraw/zinc/15/58/14/480155814.db2.gz QSWSORMMAASPRL-HUUCEWRRSA-N 1 0 348.447 2.693 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609385803 480156001 /nfs/dbraw/zinc/15/60/01/480156001.db2.gz FBAGLBUKXWKJLG-CQSZACIVSA-N 1 0 345.403 2.607 20 5 EFBDRO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347785 475254910 /nfs/dbraw/zinc/25/49/10/475254910.db2.gz YNYDMBNISSCADZ-PBHICJAKSA-N 1 0 344.371 2.879 20 5 EFBDRO CCOCC[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352600 475256977 /nfs/dbraw/zinc/25/69/77/475256977.db2.gz FKYPXRJZZDIMBJ-DTQAZKPQSA-N 1 0 333.432 2.652 20 5 EFBDRO Cc1c(NC(=O)CCN2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386092 480156197 /nfs/dbraw/zinc/15/61/97/480156197.db2.gz KLXGYJSLRIMBSO-OAHLLOKOSA-N 1 0 348.447 2.694 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000361197754 475263679 /nfs/dbraw/zinc/26/36/79/475263679.db2.gz AHRLJDBZJRTNTA-GOEBONIOSA-N 1 0 333.432 2.716 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352414569 475270068 /nfs/dbraw/zinc/27/00/68/475270068.db2.gz IOITVPZWLAXAOX-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000347380976 475281740 /nfs/dbraw/zinc/28/17/40/475281740.db2.gz SQMBUYJAMGUXMT-GHXNOFRVSA-N 1 0 326.356 2.552 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000361222044 475282468 /nfs/dbraw/zinc/28/24/68/475282468.db2.gz VJBPWDPCKAGLGJ-MRXNPFEDSA-N 1 0 345.443 2.860 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000354604435 475283173 /nfs/dbraw/zinc/28/31/73/475283173.db2.gz VNKHZEGZQBDHQC-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296369244 475285767 /nfs/dbraw/zinc/28/57/67/475285767.db2.gz SNIBFFNKGAWAHT-DOMZBBRYSA-N 1 0 331.372 2.638 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410379 475304927 /nfs/dbraw/zinc/30/49/27/475304927.db2.gz GKKMTRGBBBJROK-AWEZNQCLSA-N 1 0 341.415 2.706 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000296421822 475307123 /nfs/dbraw/zinc/30/71/23/475307123.db2.gz XZTRWWSUIXYQOL-SJORKVTESA-N 1 0 332.400 2.519 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000341800076 475311792 /nfs/dbraw/zinc/31/17/92/475311792.db2.gz QKHPBMCMBZIPGR-GOEBONIOSA-N 1 0 333.432 2.716 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347490178 475317814 /nfs/dbraw/zinc/31/78/14/475317814.db2.gz GXIOEYVDDVMBMS-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000347556465 475325349 /nfs/dbraw/zinc/32/53/49/475325349.db2.gz IDTCHTKDRDDQJY-MRXNPFEDSA-N 1 0 345.399 2.848 20 5 EFBDRO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000345647779 475334130 /nfs/dbraw/zinc/33/41/30/475334130.db2.gz ZDIOXUAEGYSIDN-GFCCVEGCSA-N 1 0 348.447 2.875 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000354684972 475336309 /nfs/dbraw/zinc/33/63/09/475336309.db2.gz NXPHAELGQDTUIQ-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000354720721 475357988 /nfs/dbraw/zinc/35/79/88/475357988.db2.gz PATFTTHRZKYALK-GPGHGMIHSA-N 1 0 332.400 2.518 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347944038 475358583 /nfs/dbraw/zinc/35/85/83/475358583.db2.gz PJTXDJIXSQHSHN-NWDGAFQWSA-N 1 0 325.384 2.684 20 5 EFBDRO C[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1C ZINC000339625053 475359873 /nfs/dbraw/zinc/35/98/73/475359873.db2.gz WRMGIMZFBGPJLB-KBPBESRZSA-N 1 0 344.415 2.817 20 5 EFBDRO COCC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000337836724 475364825 /nfs/dbraw/zinc/36/48/25/475364825.db2.gz CMRLEIRAUOAGCT-HOTGVXAUSA-N 1 0 349.431 2.741 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296551675 475367174 /nfs/dbraw/zinc/36/71/74/475367174.db2.gz BXSSKSDNIQAPGU-KRWDZBQOSA-N 1 0 335.404 2.590 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000331681595 475375174 /nfs/dbraw/zinc/37/51/74/475375174.db2.gz QPXWOLQCXUJLKB-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000358076477 475381374 /nfs/dbraw/zinc/38/13/74/475381374.db2.gz VSOMKJPLGSVCFH-UHFFFAOYSA-N 1 0 329.356 2.723 20 5 EFBDRO CC1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709845 475386779 /nfs/dbraw/zinc/38/67/79/475386779.db2.gz CLUDQFSJPILFEZ-HOTGVXAUSA-N 1 0 335.452 2.597 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348103485 475392298 /nfs/dbraw/zinc/39/22/98/475392298.db2.gz CFZZMDRKGCUUNE-ZWNOBZJWSA-N 1 0 334.294 2.803 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296610436 475393784 /nfs/dbraw/zinc/39/37/84/475393784.db2.gz KAUBZFQQUXARTP-STQMWFEESA-N 1 0 332.404 2.605 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675843 475398715 /nfs/dbraw/zinc/39/87/15/475398715.db2.gz QUTFKNQWJVLWRA-YOEHRIQHSA-N 1 0 329.400 2.822 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296625081 475400314 /nfs/dbraw/zinc/40/03/14/475400314.db2.gz WTUZCPHMMCLTGM-HZSPNIEDSA-N 1 0 334.420 2.698 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000348116479 475403240 /nfs/dbraw/zinc/40/32/40/475403240.db2.gz JZWIFBNEQXWELS-KBPBESRZSA-N 1 0 349.431 2.986 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000348116480 475404037 /nfs/dbraw/zinc/40/40/37/475404037.db2.gz JZWIFBNEQXWELS-KGLIPLIRSA-N 1 0 349.431 2.986 20 5 EFBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000339680204 475404165 /nfs/dbraw/zinc/40/41/65/475404165.db2.gz BJUAUUKFVXFZCW-GFCCVEGCSA-N 1 0 347.337 2.771 20 5 EFBDRO CC[N@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000358114958 475413676 /nfs/dbraw/zinc/41/36/76/475413676.db2.gz FTQPOIUEGUEZEO-UHFFFAOYSA-N 1 0 339.411 2.858 20 5 EFBDRO C[C@H]1[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[N@@H+]1C ZINC000345750744 475420021 /nfs/dbraw/zinc/42/00/21/475420021.db2.gz OHPWTCQFYNTGEB-SUMWQHHRSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348142385 475424407 /nfs/dbraw/zinc/42/44/07/475424407.db2.gz NFQYQJSFRZJAID-WCQYABFASA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296687145 475429819 /nfs/dbraw/zinc/42/98/19/475429819.db2.gz JGLPSUSYYHPCNW-SWLSCSKDSA-N 1 0 334.347 2.824 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000331873508 475441856 /nfs/dbraw/zinc/44/18/56/475441856.db2.gz OYUXJETZKLZHHL-ARFHVFGLSA-N 1 0 346.431 2.754 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354843914 475454384 /nfs/dbraw/zinc/45/43/84/475454384.db2.gz MGMJZRAGXUGBAH-INIZCTEOSA-N 1 0 331.416 2.744 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296752075 475461594 /nfs/dbraw/zinc/46/15/94/475461594.db2.gz NYGAXUGWWQBITE-GFCCVEGCSA-N 1 0 338.383 2.990 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC(C)(C)C1 ZINC000361469858 475474753 /nfs/dbraw/zinc/47/47/53/475474753.db2.gz OPVLVLBJTDHCLZ-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO COCCOC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358193134 475477560 /nfs/dbraw/zinc/47/75/60/475477560.db2.gz ADBLEHKRMQRNOJ-UXLLHSPISA-N 1 0 336.432 2.947 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000296822000 475492361 /nfs/dbraw/zinc/49/23/61/475492361.db2.gz SBOSPNYEMHUJBT-LLVKDONJSA-N 1 0 326.372 2.893 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358232421 475511706 /nfs/dbraw/zinc/51/17/06/475511706.db2.gz CKZGQJBXLWGBGA-SVGFKBNWSA-N 1 0 345.443 2.810 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354920103 475521315 /nfs/dbraw/zinc/52/13/15/475521315.db2.gz NCWPMVUNBOFKFY-ZDUSSCGKSA-N 1 0 341.371 2.667 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332126144 475521883 /nfs/dbraw/zinc/52/18/83/475521883.db2.gz CYRBDGCWFGGMSD-BFHYXJOUSA-N 1 0 332.404 2.803 20 5 EFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000332148877 475531469 /nfs/dbraw/zinc/53/14/69/475531469.db2.gz MNAOQEVXCWNZLW-INIZCTEOSA-N 1 0 336.388 2.756 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296926864 475538969 /nfs/dbraw/zinc/53/89/69/475538969.db2.gz ZNHDSRREFHZXSQ-BXUZGUMPSA-N 1 0 338.383 2.893 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000296929760 475539683 /nfs/dbraw/zinc/53/96/83/475539683.db2.gz WZJHLPVCHRTDGK-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000361557801 475545999 /nfs/dbraw/zinc/54/59/99/475545999.db2.gz SQQUNPUKTWBGIB-KRWDZBQOSA-N 1 0 334.416 2.847 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332203583 475555302 /nfs/dbraw/zinc/55/53/02/475555302.db2.gz SZRSWYATZLYUNW-IHRRRGAJSA-N 1 0 332.404 2.803 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000338077850 475569661 /nfs/dbraw/zinc/56/96/61/475569661.db2.gz HWBWNRRYYNAPLK-LBPRGKRZSA-N 1 0 331.372 2.803 20 5 EFBDRO C[N@H+](CCO)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000342226046 475574841 /nfs/dbraw/zinc/57/48/41/475574841.db2.gz FURROALBQVWRSE-UHFFFAOYSA-N 1 0 348.230 2.795 20 5 EFBDRO Cc1c(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358307077 475578347 /nfs/dbraw/zinc/57/83/47/475578347.db2.gz JOFMQLFLPYGIPK-CQSZACIVSA-N 1 0 348.447 2.967 20 5 EFBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000361597074 475584837 /nfs/dbraw/zinc/58/48/37/475584837.db2.gz WVEHCMHXCOWCBF-OAHLLOKOSA-N 1 0 331.372 2.903 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000358327286 475593245 /nfs/dbraw/zinc/59/32/45/475593245.db2.gz FYGDVLFBXQWHMT-OLZOCXBDSA-N 1 0 337.395 2.656 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccsc1)[NH+](C)C ZINC000339907123 475605706 /nfs/dbraw/zinc/60/57/06/475605706.db2.gz WGKGXWGRXMISMF-OAHLLOKOSA-N 1 0 348.428 2.731 20 5 EFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346464289 475605917 /nfs/dbraw/zinc/60/59/17/475605917.db2.gz SZDXHBVATOCKCU-INIZCTEOSA-N 1 0 344.415 2.809 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332338476 475607249 /nfs/dbraw/zinc/60/72/49/475607249.db2.gz DJKXHLYGLFFCRO-IBGZPJMESA-N 1 0 346.475 2.980 20 5 EFBDRO CSc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000297098655 475609830 /nfs/dbraw/zinc/60/98/30/475609830.db2.gz RLHSKMOGTUQQRC-YHWZYXNKSA-N 1 0 335.429 2.672 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332394240 475625187 /nfs/dbraw/zinc/62/51/87/475625187.db2.gz NWMSVDZROBHDJZ-MDZRGWNJSA-N 1 0 346.475 2.614 20 5 EFBDRO COc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332402321 475626197 /nfs/dbraw/zinc/62/61/97/475626197.db2.gz UVJCDKGVZZHHSU-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332404791 475628505 /nfs/dbraw/zinc/62/85/05/475628505.db2.gz HLSCLANIMYHBPO-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(OCCN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332423291 475632770 /nfs/dbraw/zinc/63/27/70/475632770.db2.gz AQWQHRKPSXTMDG-HUUCEWRRSA-N 1 0 349.431 2.541 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352802335 475637855 /nfs/dbraw/zinc/63/78/55/475637855.db2.gz VOUMHFZAPUEBQD-GXTWGEPZSA-N 1 0 329.404 2.530 20 5 EFBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1OC ZINC000339961095 475642218 /nfs/dbraw/zinc/64/22/18/475642218.db2.gz XNKLCFOAJMIIOS-AWEZNQCLSA-N 1 0 346.387 2.722 20 5 EFBDRO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346561933 475657923 /nfs/dbraw/zinc/65/79/23/475657923.db2.gz CJXAHUPJAGIIRE-UONOGXRCSA-N 1 0 342.399 2.658 20 5 EFBDRO CCC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297214179 475659105 /nfs/dbraw/zinc/65/91/05/475659105.db2.gz GWWHZXQUKPWHSO-WMZOPIPTSA-N 1 0 335.448 2.872 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358426489 475669173 /nfs/dbraw/zinc/66/91/73/475669173.db2.gz SXXKERNLQQCXHK-CQSZACIVSA-N 1 0 336.436 2.857 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332577175 475674433 /nfs/dbraw/zinc/67/44/33/475674433.db2.gz GKLSCFCFYHOIFJ-UONOGXRCSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596734 475679978 /nfs/dbraw/zinc/67/99/78/475679978.db2.gz MCABOYQHCNQTKP-WMLDXEAASA-N 1 0 345.443 2.958 20 5 EFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000340006867 475682412 /nfs/dbraw/zinc/68/24/12/475682412.db2.gz VMMPENYLUIGNBA-UHFFFAOYSA-N 1 0 344.758 2.868 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358447831 475687067 /nfs/dbraw/zinc/68/70/67/475687067.db2.gz QZXZJEZDMVBBIO-HNNXBMFYSA-N 1 0 334.420 2.577 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000348519890 475719926 /nfs/dbraw/zinc/71/99/26/475719926.db2.gz GKRZOKMHIGFUJD-OLZOCXBDSA-N 1 0 343.330 2.673 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348522150 475721489 /nfs/dbraw/zinc/72/14/89/475721489.db2.gz VSQOJXWRRJQKEN-YPMHNXCESA-N 1 0 343.330 2.673 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343070576 475741185 /nfs/dbraw/zinc/74/11/85/475741185.db2.gz FDICAPGZAGUNRV-KGLIPLIRSA-N 1 0 349.431 2.986 20 5 EFBDRO COC(=O)c1occc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353175711 475746820 /nfs/dbraw/zinc/74/68/20/475746820.db2.gz SAAYVZMRIOESGO-UHFFFAOYSA-N 1 0 338.747 2.960 20 5 EFBDRO Cc1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000338285098 475747819 /nfs/dbraw/zinc/74/78/19/475747819.db2.gz MYNAMJVADSLZSF-LJQANCHMSA-N 1 0 341.411 2.952 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343081994 475751187 /nfs/dbraw/zinc/75/11/87/475751187.db2.gz VQQFTMFHGKAGNI-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353186751 475753512 /nfs/dbraw/zinc/75/35/12/475753512.db2.gz WFUVVWNROPSPOV-LLVKDONJSA-N 1 0 339.355 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c(F)c1 ZINC000353191902 475758231 /nfs/dbraw/zinc/75/82/31/475758231.db2.gz LAFOVIZMUDXOIF-AEFFLSMTSA-N 1 0 330.359 2.990 20 5 EFBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000346680898 475758664 /nfs/dbraw/zinc/75/86/64/475758664.db2.gz XZQPSBOROLMMPF-CQSZACIVSA-N 1 0 347.802 2.682 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358545197 475760909 /nfs/dbraw/zinc/76/09/09/475760909.db2.gz MHGDKJSGRFDXET-ZDUSSCGKSA-N 1 0 334.420 2.577 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOC(F)(F)F)c1 ZINC000353196666 475762475 /nfs/dbraw/zinc/76/24/75/475762475.db2.gz ZZMFPNZABDCVNS-UHFFFAOYSA-N 1 0 330.209 2.822 20 5 EFBDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000297472579 475770764 /nfs/dbraw/zinc/77/07/64/475770764.db2.gz UVXKMGNOFIOTAK-UONOGXRCSA-N 1 0 346.431 2.782 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000355240087 475771305 /nfs/dbraw/zinc/77/13/05/475771305.db2.gz ONTSPBIPLYGZIC-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297485956 475778281 /nfs/dbraw/zinc/77/82/81/475778281.db2.gz TYPWZQMMAYBKPQ-AGUYFDCRSA-N 1 0 332.404 2.904 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297491250 475779015 /nfs/dbraw/zinc/77/90/15/475779015.db2.gz FMKIKHYEMBQGEU-YSVLISHTSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297491242 475779663 /nfs/dbraw/zinc/77/96/63/475779663.db2.gz FMKIKHYEMBQGEU-QRTARXTBSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509775 475789229 /nfs/dbraw/zinc/78/92/29/475789229.db2.gz YVVWUDBEASEGBF-KDOFPFPSSA-N 1 0 346.431 2.783 20 5 EFBDRO Cc1nc(N2CCN(Cc3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000297545146 475800564 /nfs/dbraw/zinc/80/05/64/475800564.db2.gz QIXLQPDCXYBBPA-UHFFFAOYSA-N 1 0 347.806 2.669 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000297552665 475804386 /nfs/dbraw/zinc/80/43/86/475804386.db2.gz JWXYGASRZLYBAK-KBXCAEBGSA-N 1 0 346.431 2.783 20 5 EFBDRO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297593284 475819894 /nfs/dbraw/zinc/81/98/94/475819894.db2.gz MWDPMLXFVGMNTJ-KBPBESRZSA-N 1 0 334.420 2.639 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297602746 475824875 /nfs/dbraw/zinc/82/48/75/475824875.db2.gz NOMIJQJKNITNEL-LSDHHAIUSA-N 1 0 346.431 2.783 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297652033 475844563 /nfs/dbraw/zinc/84/45/63/475844563.db2.gz DFLMUSUPZYOKLA-AGUYFDCRSA-N 1 0 332.404 2.958 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346777577 475851829 /nfs/dbraw/zinc/85/18/29/475851829.db2.gz SXHLRWNPZUZGCF-NEPJUHHUSA-N 1 0 337.445 2.871 20 5 EFBDRO C[C@H](CO)[N@@H+]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000343209730 475856138 /nfs/dbraw/zinc/85/61/38/475856138.db2.gz WRSPWKRYNWJLBH-SNVBAGLBSA-N 1 0 348.230 2.795 20 5 EFBDRO COc1ccc(NC(=O)C2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000297705643 475861455 /nfs/dbraw/zinc/86/14/55/475861455.db2.gz HVJUHHPGKUTIDP-UHFFFAOYSA-N 1 0 343.330 2.519 20 5 EFBDRO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346812364 475879482 /nfs/dbraw/zinc/87/94/82/475879482.db2.gz WMBSXFBFBVFNNB-CZUORRHYSA-N 1 0 342.399 2.900 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825726 475890454 /nfs/dbraw/zinc/89/04/54/475890454.db2.gz ILRJRTXXMYWHIU-GJZGRUSLSA-N 1 0 326.418 2.603 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831328 475894297 /nfs/dbraw/zinc/89/42/97/475894297.db2.gz KTNNJIWZEUEEBQ-CVEARBPZSA-N 1 0 345.399 2.793 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000358742445 475899158 /nfs/dbraw/zinc/89/91/58/475899158.db2.gz YOVCBVWFMOTMIU-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000343261822 475901091 /nfs/dbraw/zinc/90/10/91/475901091.db2.gz CQILYISYJQNMTK-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840687 475903694 /nfs/dbraw/zinc/90/36/94/475903694.db2.gz UXQMXWVLYYHUNU-CVEARBPZSA-N 1 0 340.445 2.993 20 5 EFBDRO CS[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000358814480 475961642 /nfs/dbraw/zinc/96/16/42/475961642.db2.gz UKZKCXOODKHVBL-HZPDHXFCSA-N 1 0 339.436 2.746 20 5 EFBDRO CS[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000358814481 475962317 /nfs/dbraw/zinc/96/23/17/475962317.db2.gz UKZKCXOODKHVBL-JKSUJKDBSA-N 1 0 339.436 2.746 20 5 EFBDRO Cn1c(=O)oc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000353454604 475982981 /nfs/dbraw/zinc/98/29/81/475982981.db2.gz KTXBPEMNBQYIEH-UHFFFAOYSA-N 1 0 341.367 2.714 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353456394 475985088 /nfs/dbraw/zinc/98/50/88/475985088.db2.gz VVHDRVREDBCHQU-CQSZACIVSA-N 1 0 343.431 2.521 20 5 EFBDRO CC(C)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000355498259 475987499 /nfs/dbraw/zinc/98/74/99/475987499.db2.gz ASCSDTWYHHZASO-HNNXBMFYSA-N 1 0 346.431 2.754 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000338536928 475992702 /nfs/dbraw/zinc/99/27/02/475992702.db2.gz NBVPDLZEFQMZPR-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000355515583 475998376 /nfs/dbraw/zinc/99/83/76/475998376.db2.gz VZRAFLGKWNALCE-OAHLLOKOSA-N 1 0 334.420 2.577 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000298164888 476003162 /nfs/dbraw/zinc/00/31/62/476003162.db2.gz XSOGWROGRLJIQD-CMDGGOBGSA-N 1 0 331.416 2.939 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000358881190 476009617 /nfs/dbraw/zinc/00/96/17/476009617.db2.gz NJCQUGLZUCGIAV-HIFRSBDPSA-N 1 0 329.404 2.884 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496547 476020041 /nfs/dbraw/zinc/02/00/41/476020041.db2.gz MLOCKONTXJJZQI-PBHICJAKSA-N 1 0 345.447 2.738 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)c2ccccc2)c1 ZINC000340414641 476020368 /nfs/dbraw/zinc/02/03/68/476020368.db2.gz ILUFYGZCVTXFPG-CEXWTWQISA-N 1 0 342.395 2.814 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353502465 476024859 /nfs/dbraw/zinc/02/48/59/476024859.db2.gz LLRIZPNIIJALQS-LBPRGKRZSA-N 1 0 341.367 2.819 20 5 EFBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000343402000 476030422 /nfs/dbraw/zinc/03/04/22/476030422.db2.gz KORFHDKNVRFBFY-HNNXBMFYSA-N 1 0 346.387 2.940 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000362152629 476035542 /nfs/dbraw/zinc/03/55/42/476035542.db2.gz WEQKHGLUJULTSO-UKRRQHHQSA-N 1 0 349.431 2.979 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000343409024 476039039 /nfs/dbraw/zinc/03/90/39/476039039.db2.gz ZSNHXVJGPMBQHY-NDOICKTLSA-N 1 0 342.399 2.944 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362165506 476043398 /nfs/dbraw/zinc/04/33/98/476043398.db2.gz UWFJDXGPTMYLOS-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362165505 476043647 /nfs/dbraw/zinc/04/36/47/476043647.db2.gz UWFJDXGPTMYLOS-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362165507 476044076 /nfs/dbraw/zinc/04/40/76/476044076.db2.gz UWFJDXGPTMYLOS-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000340474794 476059170 /nfs/dbraw/zinc/05/91/70/476059170.db2.gz XUKBIBOCLATZFF-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000343432483 476060401 /nfs/dbraw/zinc/06/04/01/476060401.db2.gz MBPAUVNCSRJKQQ-UHFFFAOYSA-N 1 0 333.413 2.977 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343593036 476091756 /nfs/dbraw/zinc/09/17/56/476091756.db2.gz PBIMYMXOJCPLJT-DOMZBBRYSA-N 1 0 343.387 2.708 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000343637836 476095249 /nfs/dbraw/zinc/09/52/49/476095249.db2.gz YOGFNSJZLWQSEN-UHFFFAOYSA-N 1 0 338.411 2.883 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000347110738 476101081 /nfs/dbraw/zinc/10/10/81/476101081.db2.gz XMIJVDMQZMFRNJ-OAHLLOKOSA-N 1 0 329.356 2.652 20 5 EFBDRO C[C@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000347120050 476106547 /nfs/dbraw/zinc/10/65/47/476106547.db2.gz VHQPHLHJWOMKFT-JTQLQIEISA-N 1 0 329.347 2.755 20 5 EFBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338687918 476112561 /nfs/dbraw/zinc/11/25/61/476112561.db2.gz QYGQVTRNAYCNHX-CYBMUJFWSA-N 1 0 335.326 2.647 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(F)c1 ZINC000350285456 476119811 /nfs/dbraw/zinc/11/98/11/476119811.db2.gz GRZCCBJMINCBKJ-AWEZNQCLSA-N 1 0 343.358 2.908 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298514814 476123735 /nfs/dbraw/zinc/12/37/35/476123735.db2.gz TZUAGHICDIOWRM-ZFWWWQNUSA-N 1 0 335.429 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2COCCO2)s1 ZINC000338716250 476128980 /nfs/dbraw/zinc/12/89/80/476128980.db2.gz OWBAPOGDXQOGOP-LBPRGKRZSA-N 1 0 334.397 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000336793145 476129157 /nfs/dbraw/zinc/12/91/57/476129157.db2.gz VOUFGPGYZMJOIW-SJORKVTESA-N 1 0 338.411 2.948 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301085846 476158431 /nfs/dbraw/zinc/15/84/31/476158431.db2.gz XGZIDRWLNYWSIJ-GFCCVEGCSA-N 1 0 345.403 2.920 20 5 EFBDRO COc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000353686430 476187946 /nfs/dbraw/zinc/18/79/46/476187946.db2.gz PRWLRGRKEBVSDF-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000353685827 476188641 /nfs/dbraw/zinc/18/86/41/476188641.db2.gz OVDOZKVTFSSJBX-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000357053507 476191818 /nfs/dbraw/zinc/19/18/18/476191818.db2.gz OXPKQIPCCQIHAR-LSDHHAIUSA-N 1 0 327.384 2.896 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000302631312 476198406 /nfs/dbraw/zinc/19/84/06/476198406.db2.gz GJJVBFMKHRDFTA-YXJHDRRASA-N 1 0 334.416 2.989 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000340697205 476213849 /nfs/dbraw/zinc/21/38/49/476213849.db2.gz QBWREZPIOLSPDC-NXEZZACHSA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1C ZINC000340697207 476214495 /nfs/dbraw/zinc/21/44/95/476214495.db2.gz QBWREZPIOLSPDC-UWVGGRQHSA-N 1 0 345.321 2.826 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000357091810 476224705 /nfs/dbraw/zinc/22/47/05/476224705.db2.gz CUCCSSRMFLVRQU-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000347304303 476244644 /nfs/dbraw/zinc/24/46/44/476244644.db2.gz NSDUEDKEQAPSQV-GFCCVEGCSA-N 1 0 338.383 2.977 20 5 EFBDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353756554 476249191 /nfs/dbraw/zinc/24/91/91/476249191.db2.gz VWAPJPNCEYYAPA-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000357138916 476257680 /nfs/dbraw/zinc/25/76/80/476257680.db2.gz XHZLIKALSKTXHY-ZIAGYGMSSA-N 1 0 327.384 2.896 20 5 EFBDRO CCC1(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCC1 ZINC000353778847 476267068 /nfs/dbraw/zinc/26/70/68/476267068.db2.gz NMNCZVNXMALGFG-UHFFFAOYSA-N 1 0 336.388 2.817 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000362483178 476276388 /nfs/dbraw/zinc/27/63/88/476276388.db2.gz TVDMZBNWTCRIQH-CYBMUJFWSA-N 1 0 348.447 2.807 20 5 EFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1(C(=O)OC)CCC1 ZINC000353842687 476298479 /nfs/dbraw/zinc/29/84/79/476298479.db2.gz NDRKVTVXLCFUMH-HNNXBMFYSA-N 1 0 336.388 2.815 20 5 EFBDRO CC[N@H+](CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])C(C)C ZINC000357236574 476300020 /nfs/dbraw/zinc/30/00/20/476300020.db2.gz KNRSAXPTIQNRSA-UHFFFAOYSA-N 1 0 336.436 2.875 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000362540572 476301904 /nfs/dbraw/zinc/30/19/04/476301904.db2.gz LPOZTKSNVVIEIL-QWHCGFSZSA-N 1 0 335.429 2.673 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000357307276 476324262 /nfs/dbraw/zinc/32/42/62/476324262.db2.gz QRYFHUHDHWHWOJ-INIZCTEOSA-N 1 0 342.399 2.563 20 5 EFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc21 ZINC000362610414 476327847 /nfs/dbraw/zinc/32/78/47/476327847.db2.gz FQDPDIBAGOPHMW-UHFFFAOYSA-N 1 0 341.371 2.692 20 5 EFBDRO CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000362677254 476348491 /nfs/dbraw/zinc/34/84/91/476348491.db2.gz XLXJKBSNVUCTGF-RHSMWYFYSA-N 1 0 327.388 2.514 20 5 EFBDRO CCOc1cc(N2CC[NH+](CCCSC)CC2)ccc1[N+](=O)[O-] ZINC000360724074 476353903 /nfs/dbraw/zinc/35/39/03/476353903.db2.gz YDEIENMLQAXTTH-UHFFFAOYSA-N 1 0 339.461 2.869 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354005845 476357038 /nfs/dbraw/zinc/35/70/38/476357038.db2.gz IQGJCRDPKWQOBR-QWHCGFSZSA-N 1 0 337.445 2.628 20 5 EFBDRO COc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000360741992 476360394 /nfs/dbraw/zinc/36/03/94/476360394.db2.gz ZJZSLNUHGVAYMS-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000354068264 476403143 /nfs/dbraw/zinc/40/31/43/476403143.db2.gz MZVOFCXDKMSNRG-QGZVFWFLSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000369273668 476403677 /nfs/dbraw/zinc/40/36/77/476403677.db2.gz IKPBDOPYFDYWEA-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377482500 476412855 /nfs/dbraw/zinc/41/28/55/476412855.db2.gz XKAKYICAZZDVPW-ZFWWWQNUSA-N 1 0 349.456 2.772 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000362841934 476435574 /nfs/dbraw/zinc/43/55/74/476435574.db2.gz XLCNJORMDGMRJP-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000362841936 476436129 /nfs/dbraw/zinc/43/61/29/476436129.db2.gz XLCNJORMDGMRJP-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO COc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000354116245 476437576 /nfs/dbraw/zinc/43/75/76/476437576.db2.gz XOMLWPSPZOVZKN-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000354137851 476455180 /nfs/dbraw/zinc/45/51/80/476455180.db2.gz HZUNPIHGSVDKRN-KRWDZBQOSA-N 1 0 348.447 2.633 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000374152394 476456972 /nfs/dbraw/zinc/45/69/72/476456972.db2.gz XQGIXXYVQBVNIO-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000362908259 476474058 /nfs/dbraw/zinc/47/40/58/476474058.db2.gz XWNCBOZZRAQLML-ZDUSSCGKSA-N 1 0 335.429 2.627 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000362927179 476486314 /nfs/dbraw/zinc/48/63/14/476486314.db2.gz GVNHLQYPLBSSDC-GXFFZTMASA-N 1 0 335.429 2.529 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000360945351 476494181 /nfs/dbraw/zinc/49/41/81/476494181.db2.gz RJBAGTGQQWHAEK-INIZCTEOSA-N 1 0 331.416 2.542 20 5 EFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000354201964 476497953 /nfs/dbraw/zinc/49/79/53/476497953.db2.gz ZUXVHYWEODFQPC-UHFFFAOYSA-N 1 0 328.372 2.814 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCCO)Cc1ccccc1 ZINC000362950473 476498031 /nfs/dbraw/zinc/49/80/31/476498031.db2.gz CROOOPWUGDGNJF-UHFFFAOYSA-N 1 0 330.384 2.858 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000362954395 476500346 /nfs/dbraw/zinc/50/03/46/476500346.db2.gz KJCNNTHAENHEQF-NVXWUHKLSA-N 1 0 336.436 2.587 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377658941 476503163 /nfs/dbraw/zinc/50/31/63/476503163.db2.gz YTNKVQQDAYLRPD-ZFWWWQNUSA-N 1 0 349.822 2.517 20 5 EFBDRO COC(=O)c1cnc(Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000357692033 476541106 /nfs/dbraw/zinc/54/11/06/476541106.db2.gz QSJAEEDUKKRSOK-UHFFFAOYSA-N 1 0 344.371 2.624 20 5 EFBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000361016524 476546272 /nfs/dbraw/zinc/54/62/72/476546272.db2.gz ZIYAMDSXHNAYKH-SJORKVTESA-N 1 0 349.456 2.813 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000361056364 476570795 /nfs/dbraw/zinc/57/07/95/476570795.db2.gz HGFDREYLULLQNT-UHFFFAOYSA-N 1 0 344.419 2.843 20 5 EFBDRO O=[N+]([O-])c1cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cs1 ZINC000361074546 476583331 /nfs/dbraw/zinc/58/33/31/476583331.db2.gz CFRWLYYVUMQMPH-OAHLLOKOSA-N 1 0 333.413 2.835 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377847884 476611043 /nfs/dbraw/zinc/61/10/43/476611043.db2.gz QZNVIAWELHRDHO-NSHDSACASA-N 1 0 338.795 2.950 20 5 EFBDRO CNc1c(C(=O)NCc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361124878 476618053 /nfs/dbraw/zinc/61/80/53/476618053.db2.gz UZKUDVYCUQUHGK-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO CNc1c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361125630 476619179 /nfs/dbraw/zinc/61/91/79/476619179.db2.gz YLILKSZPPONNHW-AWEZNQCLSA-N 1 0 348.447 2.878 20 5 EFBDRO CO[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361134828 476627507 /nfs/dbraw/zinc/62/75/07/476627507.db2.gz BDMAWUYCQCYSRG-GOSISDBHSA-N 1 0 344.415 2.900 20 5 EFBDRO CNc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361137669 476629351 /nfs/dbraw/zinc/62/93/51/476629351.db2.gz ABLAQYMLLBHFQW-CQSZACIVSA-N 1 0 348.428 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000363262978 476631444 /nfs/dbraw/zinc/63/14/44/476631444.db2.gz NWUJDWVBAYXNEM-LBPRGKRZSA-N 1 0 327.331 2.871 20 5 EFBDRO C[C@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000352326368 476638246 /nfs/dbraw/zinc/63/82/46/476638246.db2.gz GAOZTAOIZHQHRU-WFASDCNBSA-N 1 0 345.399 2.595 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000354437635 476661173 /nfs/dbraw/zinc/66/11/73/476661173.db2.gz FTHXNGKTDDITOC-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO CSc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000421678490 476690693 /nfs/dbraw/zinc/69/06/93/476690693.db2.gz ASXNLZYDEYYYDD-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000429834721 476700376 /nfs/dbraw/zinc/70/03/76/476700376.db2.gz XGNREKGVBUBOIP-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000378641702 476723769 /nfs/dbraw/zinc/72/37/69/476723769.db2.gz DBXHPCBPHIXYPY-GUYCJALGSA-N 1 0 330.388 2.883 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000429966119 476725940 /nfs/dbraw/zinc/72/59/40/476725940.db2.gz DVUGZIHUBHXSHB-SJKOYZFVSA-N 1 0 343.383 2.556 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850079 476730394 /nfs/dbraw/zinc/73/03/94/476730394.db2.gz RHHQUIVNAICALZ-APPDUMDISA-N 1 0 344.371 2.553 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413781245 476731118 /nfs/dbraw/zinc/73/11/18/476731118.db2.gz WTAFMPOXPLBBHK-DLBZAZTESA-N 1 0 333.432 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@](O)(C4CC4)C3)co2)cc1 ZINC000365852955 476734282 /nfs/dbraw/zinc/73/42/82/476734282.db2.gz BGGYFNLMIVLPSI-KRWDZBQOSA-N 1 0 329.356 2.597 20 5 EFBDRO C[C@@H]1[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC12CCOCC2 ZINC000375242764 476735931 /nfs/dbraw/zinc/73/59/31/476735931.db2.gz QFAGJSGAGXSHMX-ZDUSSCGKSA-N 1 0 348.399 2.852 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382459607 476743220 /nfs/dbraw/zinc/74/32/20/476743220.db2.gz UEPMFLWSKKYFQF-BDAKNGLRSA-N 1 0 329.198 2.743 20 5 EFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000422735274 476751603 /nfs/dbraw/zinc/75/16/03/476751603.db2.gz DUJWCKKIFALIMU-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413830633 476751807 /nfs/dbraw/zinc/75/18/07/476751807.db2.gz GABLXCINROUFTQ-JKSUJKDBSA-N 1 0 333.432 2.935 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000445663852 476757212 /nfs/dbraw/zinc/75/72/12/476757212.db2.gz IATAFBWNAZNIGL-UHFFFAOYSA-N 1 0 331.376 2.565 20 5 EFBDRO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430226361 476786135 /nfs/dbraw/zinc/78/61/35/476786135.db2.gz OMZKSISFEPSHRZ-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1cc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000452039471 476788148 /nfs/dbraw/zinc/78/81/48/476788148.db2.gz GSLAHIZNYNMXJP-UHFFFAOYSA-N 1 0 349.412 2.702 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422848973 476809937 /nfs/dbraw/zinc/80/99/37/476809937.db2.gz BLKQHPXCQMCWMV-CQSZACIVSA-N 1 0 345.852 2.830 20 5 EFBDRO CC1(C)CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000446082656 476824920 /nfs/dbraw/zinc/82/49/20/476824920.db2.gz YLSDZEOWNBWUQF-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000392472107 476826518 /nfs/dbraw/zinc/82/65/18/476826518.db2.gz FLCJQLXLPQEKCM-UHFFFAOYSA-N 1 0 336.436 2.831 20 5 EFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000430435495 476833951 /nfs/dbraw/zinc/83/39/51/476833951.db2.gz FHVKCQYKHISTTH-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000393975271 476837093 /nfs/dbraw/zinc/83/70/93/476837093.db2.gz UZKOICXTVCANIL-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457032619 476838778 /nfs/dbraw/zinc/83/87/78/476838778.db2.gz NBZOSFIFPRGCIB-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452125235 476843517 /nfs/dbraw/zinc/84/35/17/476843517.db2.gz XNVNZTXILGTYBS-OAHLLOKOSA-N 1 0 345.403 2.559 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457059622 476852906 /nfs/dbraw/zinc/85/29/06/476852906.db2.gz WRJWJRWKTKIBPR-UHFFFAOYSA-N 1 0 344.415 2.540 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397346646 476853762 /nfs/dbraw/zinc/85/37/62/476853762.db2.gz SFIIFFHWGLTURS-GMTAPVOTSA-N 1 0 325.796 2.694 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000375472428 476857032 /nfs/dbraw/zinc/85/70/32/476857032.db2.gz NRKHTQUXZRNKEN-FUHWJXTLSA-N 1 0 333.432 2.636 20 5 EFBDRO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452174023 476869476 /nfs/dbraw/zinc/86/94/76/476869476.db2.gz OQFSEQAMBKLBHH-OLZOCXBDSA-N 1 0 349.406 2.780 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457096611 476873381 /nfs/dbraw/zinc/87/33/81/476873381.db2.gz RAXDLLGTTCJGDC-TZMCWYRMSA-N 1 0 337.395 2.779 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457100045 476874803 /nfs/dbraw/zinc/87/48/03/476874803.db2.gz VWZMUGVYTDTDKA-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000446441984 476876550 /nfs/dbraw/zinc/87/65/50/476876550.db2.gz HMWSRAFWCBOXLZ-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457110080 476880494 /nfs/dbraw/zinc/88/04/94/476880494.db2.gz HREFYQGYHYYJTQ-OAHLLOKOSA-N 1 0 349.431 2.613 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000430619115 476882520 /nfs/dbraw/zinc/88/25/20/476882520.db2.gz ZEXYJGBGAPKCGN-AWEZNQCLSA-N 1 0 339.823 2.685 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430626203 476884130 /nfs/dbraw/zinc/88/41/30/476884130.db2.gz LOKMBNLFFGBKAH-CZUORRHYSA-N 1 0 344.415 2.994 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000423006833 476889907 /nfs/dbraw/zinc/88/99/07/476889907.db2.gz WOXNESVVFODLEX-OAHLLOKOSA-N 1 0 349.387 2.618 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000414798185 476891764 /nfs/dbraw/zinc/89/17/64/476891764.db2.gz ZQKGVQCBGYRVFW-PXAZEXFGSA-N 1 0 343.383 2.657 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000446619338 476895763 /nfs/dbraw/zinc/89/57/63/476895763.db2.gz DYDLDRHGHOGNCI-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414954050 476900125 /nfs/dbraw/zinc/90/01/25/476900125.db2.gz SEAMBTKQWNUYDM-SECBINFHSA-N 1 0 346.334 2.835 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423056127 476908300 /nfs/dbraw/zinc/90/83/00/476908300.db2.gz FBORBUQBWNOFMT-AWEZNQCLSA-N 1 0 335.404 2.517 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404268368 476915636 /nfs/dbraw/zinc/91/56/36/476915636.db2.gz IYCKXJXORZQQCH-ZWNOBZJWSA-N 1 0 325.796 2.838 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404347087 476915764 /nfs/dbraw/zinc/91/57/64/476915764.db2.gz HJJQYXOVOBREDZ-IINYFYTJSA-N 1 0 325.796 2.838 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000457187432 476917860 /nfs/dbraw/zinc/91/78/60/476917860.db2.gz QSSSDWCLJDNDBZ-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457204665 476925128 /nfs/dbraw/zinc/92/51/28/476925128.db2.gz KDBHBDYBVCDBHW-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446850118 476927006 /nfs/dbraw/zinc/92/70/06/476927006.db2.gz VUUWHXFYWZBTCH-UHFFFAOYSA-N 1 0 331.420 2.824 20 5 EFBDRO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000415436077 476927629 /nfs/dbraw/zinc/92/76/29/476927629.db2.gz JEPZYEZDWKIFJY-UHFFFAOYSA-N 1 0 346.309 2.829 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457246497 476942820 /nfs/dbraw/zinc/94/28/20/476942820.db2.gz RUKFEMPMXKPIFB-UHFFFAOYSA-N 1 0 342.399 2.727 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415589946 476942841 /nfs/dbraw/zinc/94/28/41/476942841.db2.gz ZJWWTMGUHRPDER-MELADBBJSA-N 1 0 332.404 2.721 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415655391 476949179 /nfs/dbraw/zinc/94/91/79/476949179.db2.gz JWWKQVKJBUOKJI-MRXNPFEDSA-N 1 0 336.392 2.505 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415662197 476950763 /nfs/dbraw/zinc/95/07/63/476950763.db2.gz RBNKYFPDDGEBOT-CYBMUJFWSA-N 1 0 338.408 2.831 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]Cc2ccccc21 ZINC000430959764 476950917 /nfs/dbraw/zinc/95/09/17/476950917.db2.gz DLVCJRKCBZOHNJ-CYBMUJFWSA-N 1 0 340.383 2.532 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375684888 476951967 /nfs/dbraw/zinc/95/19/67/476951967.db2.gz JXUZBQYLAIPTFM-UHFFFAOYSA-N 1 0 339.395 2.694 20 5 EFBDRO CCc1cc(N2CC(C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000408522843 476963618 /nfs/dbraw/zinc/96/36/18/476963618.db2.gz MLZBGDFKPOKECX-UHFFFAOYSA-N 1 0 341.415 2.612 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000423226380 476969072 /nfs/dbraw/zinc/96/90/72/476969072.db2.gz QMQCFXJIFDOEAI-GUYCJALGSA-N 1 0 349.431 2.584 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000423226381 476969467 /nfs/dbraw/zinc/96/94/67/476969467.db2.gz QMQCFXJIFDOEAI-SUMWQHHRSA-N 1 0 349.431 2.584 20 5 EFBDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000370773013 476978204 /nfs/dbraw/zinc/97/82/04/476978204.db2.gz LWZYJOZHHLGQJN-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000370775537 476980361 /nfs/dbraw/zinc/98/03/61/476980361.db2.gz RFERPJWAMVIDME-UHFFFAOYSA-N 1 0 349.412 2.952 20 5 EFBDRO CCC([NH3+])(CC)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423290642 476983216 /nfs/dbraw/zinc/98/32/16/476983216.db2.gz DWFNIPVRXADDPD-OAHLLOKOSA-N 1 0 331.420 2.525 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cn3ccccc3n2)n1 ZINC000447505799 477000782 /nfs/dbraw/zinc/00/07/82/477000782.db2.gz ASTWWXZHNQOIPZ-CABCVRRESA-N 1 0 340.387 2.713 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(O)cc2)n1 ZINC000447528816 477004354 /nfs/dbraw/zinc/00/43/54/477004354.db2.gz KHGIBNACSCDQOO-HOTGVXAUSA-N 1 0 330.388 2.813 20 5 EFBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531651 477005677 /nfs/dbraw/zinc/00/56/77/477005677.db2.gz SCBCXZMELHOREX-BZUAXINKSA-N 1 0 335.452 2.739 20 5 EFBDRO CCC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000366434565 477006726 /nfs/dbraw/zinc/00/67/26/477006726.db2.gz UWYNYZXFLJLZBA-HNNXBMFYSA-N 1 0 347.415 2.853 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000447537912 477007721 /nfs/dbraw/zinc/00/77/21/477007721.db2.gz ZJUHQFWEIROTJK-VQHPVUNQSA-N 1 0 349.479 2.985 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447575858 477015264 /nfs/dbraw/zinc/01/52/64/477015264.db2.gz VGRVMFDFCAZSIF-DZKIICNBSA-N 1 0 336.436 2.662 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCN2C2CC2)n1 ZINC000447591443 477020273 /nfs/dbraw/zinc/02/02/73/477020273.db2.gz ICXRBCWQABBTNP-YESZJQIVSA-N 1 0 347.463 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)CCC2 ZINC000447600051 477021211 /nfs/dbraw/zinc/02/12/11/477021211.db2.gz LNVGMEYCLMBQAQ-ZBFHGGJFSA-N 1 0 338.429 2.529 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000416106074 477021613 /nfs/dbraw/zinc/02/16/13/477021613.db2.gz MKWSMIQTHRDRFJ-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366475175 477027355 /nfs/dbraw/zinc/02/73/55/477027355.db2.gz MJJBUJOHIURBOZ-KRWDZBQOSA-N 1 0 335.404 2.814 20 5 EFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000375892893 477066096 /nfs/dbraw/zinc/06/60/96/477066096.db2.gz RFSDCXNIFFJLGP-DOTOQJQBSA-N 1 0 343.358 2.562 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423592639 477078215 /nfs/dbraw/zinc/07/82/15/477078215.db2.gz FBCNPJMRKCKLNV-ONGXEEELSA-N 1 0 343.836 2.597 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1 ZINC000431714858 477081029 /nfs/dbraw/zinc/08/10/29/477081029.db2.gz XEZGSRPYRYVBQK-CABCVRRESA-N 1 0 344.371 2.865 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423606830 477082106 /nfs/dbraw/zinc/08/21/06/477082106.db2.gz ILMOKWDDIYIJFV-UHFFFAOYSA-N 1 0 347.415 2.599 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ncccc3Cl)CC2)n1 ZINC000375928967 477088690 /nfs/dbraw/zinc/08/86/90/477088690.db2.gz BICUWQKLLWTOEG-UHFFFAOYSA-N 1 0 335.795 2.719 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423629900 477092987 /nfs/dbraw/zinc/09/29/87/477092987.db2.gz XVKOGWJDPSAXGQ-MWLCHTKSSA-N 1 0 343.836 2.597 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423648921 477099079 /nfs/dbraw/zinc/09/90/79/477099079.db2.gz GCWOEJBSYGZPHN-UHFFFAOYSA-N 1 0 341.367 2.946 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCO3)s2)cc1 ZINC000447974065 477107716 /nfs/dbraw/zinc/10/77/16/477107716.db2.gz WGIZCLJLZBLSAI-CVEARBPZSA-N 1 0 348.424 2.953 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423682720 477107866 /nfs/dbraw/zinc/10/78/66/477107866.db2.gz GTJDFTWLPIOZGU-JTQLQIEISA-N 1 0 345.852 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCO3)s2)cc1 ZINC000447974067 477107869 /nfs/dbraw/zinc/10/78/69/477107869.db2.gz WGIZCLJLZBLSAI-HZPDHXFCSA-N 1 0 348.424 2.953 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423693510 477111760 /nfs/dbraw/zinc/11/17/60/477111760.db2.gz FAASTKVHDLFWKS-VXGBXAGGSA-N 1 0 337.445 2.954 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])c(CO)c1)Cc1ccc(F)cc1 ZINC000431878026 477113125 /nfs/dbraw/zinc/11/31/25/477113125.db2.gz OGRFUUIWUWFLFF-UHFFFAOYSA-N 1 0 334.347 2.737 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026613 477119034 /nfs/dbraw/zinc/11/90/34/477119034.db2.gz JBQIGZOXFOYULG-OAGGEKHMSA-N 1 0 349.479 2.985 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205019 477144066 /nfs/dbraw/zinc/14/40/66/477144066.db2.gz QAJHBMLSJBNYRR-PXAZEXFGSA-N 1 0 347.390 2.823 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000448249894 477148929 /nfs/dbraw/zinc/14/89/29/477148929.db2.gz YBVKPKSZSRRNGO-CYBMUJFWSA-N 1 0 337.395 2.832 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000411220575 477156350 /nfs/dbraw/zinc/15/63/50/477156350.db2.gz GDFSSZTVADOGJU-KRWDZBQOSA-N 1 0 343.383 2.589 20 5 EFBDRO COC1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411269658 477177331 /nfs/dbraw/zinc/17/73/31/477177331.db2.gz ICMJXGWMMHUVCX-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376106542 477177906 /nfs/dbraw/zinc/17/79/06/477177906.db2.gz JWDSVDZJLPCDDC-CHWSQXEVSA-N 1 0 333.388 2.729 20 5 EFBDRO C[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000423854906 477187892 /nfs/dbraw/zinc/18/78/92/477187892.db2.gz WGJNGLAXIMIIBA-LLVKDONJSA-N 1 0 339.823 2.890 20 5 EFBDRO C[NH+](C)C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000432309714 477192371 /nfs/dbraw/zinc/19/23/71/477192371.db2.gz YPKJCZXMXJHSSC-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000411317831 477193003 /nfs/dbraw/zinc/19/30/03/477193003.db2.gz BLPBDDJVNHYGFC-ZWKOTPCHSA-N 1 0 343.427 2.785 20 5 EFBDRO CCN1CC[NH+](C[C@@H](C)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432347519 477200544 /nfs/dbraw/zinc/20/05/44/477200544.db2.gz OLMPIOLQNBIHDB-ZDUSSCGKSA-N 1 0 340.855 2.934 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411381798 477212061 /nfs/dbraw/zinc/21/20/61/477212061.db2.gz FLGYAGHYECVDSM-CQSZACIVSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000453352640 477212838 /nfs/dbraw/zinc/21/28/38/477212838.db2.gz JYHWDFNRXLWJJH-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411385324 477213029 /nfs/dbraw/zinc/21/30/29/477213029.db2.gz JWQJLDFRJCGPQF-XOKHGSTOSA-N 1 0 331.416 2.689 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453356664 477213025 /nfs/dbraw/zinc/21/30/25/477213025.db2.gz NDHCVXPYMDHMFM-GFOCRRMGSA-N 1 0 334.416 2.700 20 5 EFBDRO CC1(C)CCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389749 477219358 /nfs/dbraw/zinc/21/93/58/477219358.db2.gz GKWQHYUVHRDMJQ-GJZGRUSLSA-N 1 0 335.452 2.739 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376205872 477227248 /nfs/dbraw/zinc/22/72/48/477227248.db2.gz ULIYWCDGRPXVFF-HIFRSBDPSA-N 1 0 347.415 2.835 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423945355 477227656 /nfs/dbraw/zinc/22/76/56/477227656.db2.gz AUTRXKXSHRWDIE-MFKMUULPSA-N 1 0 325.434 2.565 20 5 EFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C[NH3+])C1CC1 ZINC000423947754 477229418 /nfs/dbraw/zinc/22/94/18/477229418.db2.gz KVQZHYDRNXDKQM-CQSZACIVSA-N 1 0 346.412 2.528 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423950691 477230171 /nfs/dbraw/zinc/23/01/71/477230171.db2.gz IOVFGMZSQHQSCY-ZDUSSCGKSA-N 1 0 343.811 2.507 20 5 EFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000366882287 477238561 /nfs/dbraw/zinc/23/85/61/477238561.db2.gz LHGXCSKCELUBBR-YOEHRIQHSA-N 1 0 348.378 2.556 20 5 EFBDRO O=C(CC[N@H+](Cc1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411449302 477238661 /nfs/dbraw/zinc/23/86/61/477238661.db2.gz SPFMYTALSJMIAZ-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000366882286 477238750 /nfs/dbraw/zinc/23/87/50/477238750.db2.gz LHGXCSKCELUBBR-WMLDXEAASA-N 1 0 348.378 2.556 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000423971689 477239496 /nfs/dbraw/zinc/23/94/96/477239496.db2.gz HFODIOIGGOBHEI-QGZVFWFLSA-N 1 0 327.384 2.516 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000453575022 477240798 /nfs/dbraw/zinc/24/07/98/477240798.db2.gz KCBMNANHRODHIF-SJORKVTESA-N 1 0 338.411 2.916 20 5 EFBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000424004092 477256719 /nfs/dbraw/zinc/25/67/19/477256719.db2.gz RUKMIMMBLCMQFV-SFHVURJKSA-N 1 0 339.395 2.619 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424011063 477259787 /nfs/dbraw/zinc/25/97/87/477259787.db2.gz YPINLJGMCUYENM-SFHVURJKSA-N 1 0 339.395 2.701 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000366938873 477267416 /nfs/dbraw/zinc/26/74/16/477267416.db2.gz RYGSPRAZDKEGND-CYBMUJFWSA-N 1 0 336.779 2.635 20 5 EFBDRO Cc1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000424042039 477270698 /nfs/dbraw/zinc/27/06/98/477270698.db2.gz KOGZDWYIFONJJB-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424052801 477275862 /nfs/dbraw/zinc/27/58/62/477275862.db2.gz NDPSLLXBHZLAHY-YRGRVCCFSA-N 1 0 346.431 2.615 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424061012 477278620 /nfs/dbraw/zinc/27/86/20/477278620.db2.gz XHCAYUHHJUIKOB-ILXRZTDVSA-N 1 0 348.447 2.619 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411576489 477281819 /nfs/dbraw/zinc/28/18/19/477281819.db2.gz ZGWRXRBNEHEBQC-SWLSCSKDSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411576491 477281971 /nfs/dbraw/zinc/28/19/71/477281971.db2.gz ZGWRXRBNEHEBQC-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454458691 477289731 /nfs/dbraw/zinc/28/97/31/477289731.db2.gz DFHRBYSSYMPQMY-MRXNPFEDSA-N 1 0 348.447 2.824 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454625603 477299906 /nfs/dbraw/zinc/29/99/06/477299906.db2.gz FOTAOVNHDLYMEM-NVXWUHKLSA-N 1 0 346.431 2.578 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458182456 477308180 /nfs/dbraw/zinc/30/81/80/477308180.db2.gz FBAZLVMOZCXZBZ-ZDUSSCGKSA-N 1 0 342.399 2.605 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458182455 477309055 /nfs/dbraw/zinc/30/90/55/477309055.db2.gz FBAZLVMOZCXZBZ-CYBMUJFWSA-N 1 0 342.399 2.605 20 5 EFBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433143600 477310407 /nfs/dbraw/zinc/31/04/07/477310407.db2.gz ZLJYDAQALVBNFW-SWLSCSKDSA-N 1 0 331.372 2.807 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164195 477312259 /nfs/dbraw/zinc/31/22/59/477312259.db2.gz ZOHAVIZUZDTUCT-WMLDXEAASA-N 1 0 334.416 2.694 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454650815 477312859 /nfs/dbraw/zinc/31/28/59/477312859.db2.gz UVSAGJFRXGZJIJ-GDBMZVCRSA-N 1 0 348.447 2.824 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458189009 477312840 /nfs/dbraw/zinc/31/28/40/477312840.db2.gz MSHDJSIXHWSSDN-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000458205649 477318016 /nfs/dbraw/zinc/31/80/16/477318016.db2.gz SDVGMBQJVQDBCQ-UHFFFAOYSA-N 1 0 339.442 2.922 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433280893 477321506 /nfs/dbraw/zinc/32/15/06/477321506.db2.gz GIXAEPOPNSPNEA-LRDDRELGSA-N 1 0 331.416 2.916 20 5 EFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000433293614 477322677 /nfs/dbraw/zinc/32/26/77/477322677.db2.gz GJCCGNQJZONAHM-INIZCTEOSA-N 1 0 340.383 2.601 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411720882 477345142 /nfs/dbraw/zinc/34/51/42/477345142.db2.gz QYOPVXLSFJLCIS-HNNXBMFYSA-N 1 0 348.447 2.730 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000367128323 477355966 /nfs/dbraw/zinc/35/59/66/477355966.db2.gz ZJFMJMDYTAKVDK-XJKSGUPXSA-N 1 0 347.415 2.550 20 5 EFBDRO O=C(CC[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376483774 477356028 /nfs/dbraw/zinc/35/60/28/477356028.db2.gz JSZBYNPEVZHVHO-UHFFFAOYSA-N 1 0 343.387 2.526 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000424294373 477360018 /nfs/dbraw/zinc/36/00/18/477360018.db2.gz KTTHFCUQJQOJFL-HNNXBMFYSA-N 1 0 340.445 2.732 20 5 EFBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000435736888 477363030 /nfs/dbraw/zinc/36/30/30/477363030.db2.gz CGTHFSZROZBZNY-OCCSQVGLSA-N 1 0 335.379 2.615 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000376568612 477409008 /nfs/dbraw/zinc/40/90/08/477409008.db2.gz CYSXVYOWOFTQPX-BQYQJAHWSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000449100412 477439672 /nfs/dbraw/zinc/43/96/72/477439672.db2.gz WWKRZLOUURZCSO-CZUORRHYSA-N 1 0 348.374 2.694 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449125112 477449379 /nfs/dbraw/zinc/44/93/79/477449379.db2.gz IHFNNVWBNKOEPD-UKRRQHHQSA-N 1 0 343.431 2.845 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000449127064 477449877 /nfs/dbraw/zinc/44/98/77/477449877.db2.gz WBEXWZNKBPOKBI-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCCO)cc1 ZINC000449131957 477453966 /nfs/dbraw/zinc/45/39/66/477453966.db2.gz QQQRLHAJTKXAOW-AWEZNQCLSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000412997617 477466948 /nfs/dbraw/zinc/46/69/48/477466948.db2.gz WZRPRBDKIUZMEX-SNVBAGLBSA-N 1 0 331.214 2.817 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449166293 477467434 /nfs/dbraw/zinc/46/74/34/477467434.db2.gz ZOHJFEINSYHPAI-CQSZACIVSA-N 1 0 341.411 2.718 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1c(=O)[nH]c2ccccc21 ZINC000449177859 477471329 /nfs/dbraw/zinc/47/13/29/477471329.db2.gz QWLHHFGGDYDHSO-ZDUSSCGKSA-N 1 0 340.383 2.871 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418372325 477471624 /nfs/dbraw/zinc/47/16/24/477471624.db2.gz YRVPDFKTICRMTE-OAHLLOKOSA-N 1 0 334.420 2.644 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413023893 477474338 /nfs/dbraw/zinc/47/43/38/477474338.db2.gz CEKBMBITPNAQIU-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413025338 477475387 /nfs/dbraw/zinc/47/53/87/477475387.db2.gz GNLAYDKNMPGUSH-UHFFFAOYSA-N 1 0 337.420 2.844 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000449196914 477480385 /nfs/dbraw/zinc/48/03/85/477480385.db2.gz UHMFQTQZPJEHGC-GDBMZVCRSA-N 1 0 334.416 2.844 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202306 477484027 /nfs/dbraw/zinc/48/40/27/477484027.db2.gz JVJXPLHOFGZTCE-NWDGAFQWSA-N 1 0 337.807 2.710 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449212451 477488187 /nfs/dbraw/zinc/48/81/87/477488187.db2.gz SOMJXZZIFUYHEB-HZPDHXFCSA-N 1 0 331.416 2.619 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000455093544 477496681 /nfs/dbraw/zinc/49/66/81/477496681.db2.gz CGLCTSAGCWQVOP-QGZVFWFLSA-N 1 0 348.403 2.553 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455092242 477496871 /nfs/dbraw/zinc/49/68/71/477496871.db2.gz JSUSRRJPZWOACW-NOLJZWGESA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455092239 477497223 /nfs/dbraw/zinc/49/72/23/477497223.db2.gz JSUSRRJPZWOACW-BJJXKVORSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000449236763 477499725 /nfs/dbraw/zinc/49/97/25/477499725.db2.gz LHJREUSFYUMKFZ-ZDUSSCGKSA-N 1 0 339.395 2.602 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000449238510 477500396 /nfs/dbraw/zinc/50/03/96/477500396.db2.gz RPYDRKORHSNHSO-VIBAHUMZSA-N 1 0 334.416 2.842 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000449239534 477500516 /nfs/dbraw/zinc/50/05/16/477500516.db2.gz VTXVXAWNFZBHEW-HNNXBMFYSA-N 1 0 326.418 2.537 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000376806500 477510488 /nfs/dbraw/zinc/51/04/88/477510488.db2.gz JYMYRQAFELQCEP-UHFFFAOYSA-N 1 0 344.396 2.610 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376824833 477519058 /nfs/dbraw/zinc/51/90/58/477519058.db2.gz YCWTYVYHWDYUAB-LSDHHAIUSA-N 1 0 331.416 2.877 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000367465935 477527253 /nfs/dbraw/zinc/52/72/53/477527253.db2.gz PNEDZYGLOYJXNN-INIZCTEOSA-N 1 0 326.400 2.888 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000449289732 477527554 /nfs/dbraw/zinc/52/75/54/477527554.db2.gz VBVZUGLCCNERIC-HUUCEWRRSA-N 1 0 348.447 2.729 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413132109 477537015 /nfs/dbraw/zinc/53/70/15/477537015.db2.gz ZYDFZGRNRNNZMA-UHFFFAOYSA-N 1 0 348.378 2.724 20 5 EFBDRO COc1ccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000371886801 477542447 /nfs/dbraw/zinc/54/24/47/477542447.db2.gz ZYSPIGHYPHCFJH-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCSC1 ZINC000413173429 477554366 /nfs/dbraw/zinc/55/43/66/477554366.db2.gz PBFWIIFFCVKCCU-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cc1F ZINC000413187165 477560903 /nfs/dbraw/zinc/56/09/03/477560903.db2.gz DDOYUAWWTKIPPU-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449618693 477569265 /nfs/dbraw/zinc/56/92/65/477569265.db2.gz ZLDHPBXARGPNME-BAYUOZKJSA-N 1 0 329.356 2.587 20 5 EFBDRO CCC[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450217774 477582362 /nfs/dbraw/zinc/58/23/62/477582362.db2.gz SOVRZXKOAGSOSI-UHFFFAOYSA-N 1 0 330.388 2.684 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455321033 477587826 /nfs/dbraw/zinc/58/78/26/477587826.db2.gz BLYQVCJLMPEHQJ-INIZCTEOSA-N 1 0 336.367 2.684 20 5 EFBDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450334027 477588722 /nfs/dbraw/zinc/58/87/22/477588722.db2.gz RHMUKFGHMCGPCC-ZFWWWQNUSA-N 1 0 333.436 2.784 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455337663 477594047 /nfs/dbraw/zinc/59/40/47/477594047.db2.gz REVDWXAPOSVWLD-UHFFFAOYSA-N 1 0 326.372 2.976 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])cc2F)c1 ZINC000413266461 477599196 /nfs/dbraw/zinc/59/91/96/477599196.db2.gz PEQZPOPJEGRSTO-UHFFFAOYSA-N 1 0 348.378 2.706 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372025307 477604854 /nfs/dbraw/zinc/60/48/54/477604854.db2.gz HSOLJRLDSMDYJX-LBPRGKRZSA-N 1 0 349.456 2.818 20 5 EFBDRO C[N@@H+]1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000413287778 477612291 /nfs/dbraw/zinc/61/22/91/477612291.db2.gz UPBDMRRCWFIACW-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000450540099 477626390 /nfs/dbraw/zinc/62/63/90/477626390.db2.gz MNHPWHHHISUGOC-SFHVURJKSA-N 1 0 342.399 2.684 20 5 EFBDRO CCc1cc(NC2CCC([NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420171702 477630959 /nfs/dbraw/zinc/63/09/59/477630959.db2.gz UKYMMULMOHWLFT-UHFFFAOYSA-N 1 0 341.415 2.718 20 5 EFBDRO CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420186160 477633493 /nfs/dbraw/zinc/63/34/93/477633493.db2.gz QEOFETXLCZBWSV-UHFFFAOYSA-N 1 0 341.415 2.789 20 5 EFBDRO C[NH2+]C[C@H](C)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420188110 477634072 /nfs/dbraw/zinc/63/40/72/477634072.db2.gz FBWXXUBQCNGYOU-ZETCQYMHSA-N 1 0 342.268 2.911 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000372095434 477637251 /nfs/dbraw/zinc/63/72/51/477637251.db2.gz OGZAKUAYSAONSD-AWEZNQCLSA-N 1 0 338.404 2.731 20 5 EFBDRO C[NH2+]CCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000420225428 477642022 /nfs/dbraw/zinc/64/20/22/477642022.db2.gz IRDGMYYIFKPNCX-UHFFFAOYSA-N 1 0 342.399 2.811 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)cc1C(F)(F)F ZINC000450590919 477644544 /nfs/dbraw/zinc/64/45/44/477644544.db2.gz FEOBBDNAOPGZGE-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458891154 477644676 /nfs/dbraw/zinc/64/46/76/477644676.db2.gz QIZKYUYCBCJFQU-BBRMVZONSA-N 1 0 334.420 2.637 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420260940 477652235 /nfs/dbraw/zinc/65/22/35/477652235.db2.gz OPCWOGNVVJEWFS-VXGBXAGGSA-N 1 0 330.388 2.715 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000420287386 477664595 /nfs/dbraw/zinc/66/45/95/477664595.db2.gz XISNRDRRUGMGPY-MRXNPFEDSA-N 1 0 342.399 2.629 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000420288289 477664702 /nfs/dbraw/zinc/66/47/02/477664702.db2.gz RYOMMJWCEQJRHW-WPRPVWTQSA-N 1 0 329.198 2.682 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000372156365 477666082 /nfs/dbraw/zinc/66/60/82/477666082.db2.gz JYQNSVBJGVUQHU-ZIAGYGMSSA-N 1 0 344.371 2.503 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000420293024 477668143 /nfs/dbraw/zinc/66/81/43/477668143.db2.gz XGXZCDXLUQGJFW-ZIAGYGMSSA-N 1 0 346.431 2.760 20 5 EFBDRO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000425471754 477685930 /nfs/dbraw/zinc/68/59/30/477685930.db2.gz ICRVKWMICNOKIU-CYBMUJFWSA-N 1 0 342.237 2.883 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccsc1 ZINC000413463054 477688697 /nfs/dbraw/zinc/68/86/97/477688697.db2.gz YDOGFIJDIBZTDR-UHFFFAOYSA-N 1 0 337.449 2.749 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426321365 477705303 /nfs/dbraw/zinc/70/53/03/477705303.db2.gz CHXAOAVRXOEYEK-OLZOCXBDSA-N 1 0 333.392 2.924 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413528352 477715051 /nfs/dbraw/zinc/71/50/51/477715051.db2.gz DGCGJECEKVZWGS-AWEZNQCLSA-N 1 0 343.431 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000450863041 477741109 /nfs/dbraw/zinc/74/11/09/477741109.db2.gz PROGPKONWGTXGR-JCURWCKSSA-N 1 0 342.399 2.908 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377328493 477742344 /nfs/dbraw/zinc/74/23/44/477742344.db2.gz BYXSFZOHEZMQMJ-WDEREUQCSA-N 1 0 338.795 2.997 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000426839506 477750823 /nfs/dbraw/zinc/75/08/23/477750823.db2.gz CMUQWOYXCOKEGG-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000426837615 477751075 /nfs/dbraw/zinc/75/10/75/477751075.db2.gz OOWPXHQHNXDOBQ-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)o2)cc1 ZINC000372367072 477776432 /nfs/dbraw/zinc/77/64/32/477776432.db2.gz LWHULNPZJUZNQB-OAHLLOKOSA-N 1 0 339.355 2.893 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437967616 477781282 /nfs/dbraw/zinc/78/12/82/477781282.db2.gz BYIKHHDYCDGTAN-CQSZACIVSA-N 1 0 344.415 2.506 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427976291 477798166 /nfs/dbraw/zinc/79/81/66/477798166.db2.gz VZYFLCZNASJVHU-CQSZACIVSA-N 1 0 347.415 2.580 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515414172 477820794 /nfs/dbraw/zinc/82/07/94/477820794.db2.gz AMCUSLGSIWNFDT-LLVKDONJSA-N 1 0 333.310 2.717 20 5 EFBDRO CCOC(=O)C[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000428136693 477826348 /nfs/dbraw/zinc/82/63/48/477826348.db2.gz VGNFVBSGTDCIKS-NSHDSACASA-N 1 0 331.372 2.875 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000428177776 477834652 /nfs/dbraw/zinc/83/46/52/477834652.db2.gz RJMIOQYFTHAKNK-UKRRQHHQSA-N 1 0 343.387 2.565 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167973 477847632 /nfs/dbraw/zinc/84/76/32/477847632.db2.gz YIEVOMXJLUHDOD-FHSNZYRGSA-N 1 0 330.432 2.937 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167979 477848285 /nfs/dbraw/zinc/84/82/85/477848285.db2.gz YIEVOMXJLUHDOD-VBHSOAQHSA-N 1 0 330.432 2.937 20 5 EFBDRO CCC1(CC)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000438494541 477850850 /nfs/dbraw/zinc/85/08/50/477850850.db2.gz FHEPWNNHMRBKCD-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420959684 477859509 /nfs/dbraw/zinc/85/95/09/477859509.db2.gz QOBSPULAFDDVJJ-ZIAGYGMSSA-N 1 0 335.404 2.813 20 5 EFBDRO CCOc1ncccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515831991 477865911 /nfs/dbraw/zinc/86/59/11/477865911.db2.gz FLVLODHEFAEYKQ-UHFFFAOYSA-N 1 0 344.371 2.507 20 5 EFBDRO CSc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000456334374 477866275 /nfs/dbraw/zinc/86/62/75/477866275.db2.gz VBTBLKPCHOHXSV-YOGCLGLASA-N 1 0 335.429 2.672 20 5 EFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438579280 477867726 /nfs/dbraw/zinc/86/77/26/477867726.db2.gz JNUZIMMMVPBMLQ-KRWDZBQOSA-N 1 0 346.431 2.530 20 5 EFBDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000558501689 477878935 /nfs/dbraw/zinc/87/89/35/477878935.db2.gz NPEXBAGMBZRJGD-OWCLPIDISA-N 1 0 337.468 2.985 20 5 EFBDRO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000421013827 477902539 /nfs/dbraw/zinc/90/25/39/477902539.db2.gz KGYMQALGBDDJIK-WFASDCNBSA-N 1 0 331.372 2.638 20 5 EFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462438563 477904188 /nfs/dbraw/zinc/90/41/88/477904188.db2.gz CSIXTVSTARVFQR-UHFFFAOYSA-N 1 0 344.415 2.744 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000438925909 477906055 /nfs/dbraw/zinc/90/60/55/477906055.db2.gz BGESJYBIWCNWSP-INIZCTEOSA-N 1 0 345.443 2.636 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070147 477915704 /nfs/dbraw/zinc/91/57/04/477915704.db2.gz VGKSWBVMKXZVBB-KBXCAEBGSA-N 1 0 339.395 2.988 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421024940 477915720 /nfs/dbraw/zinc/91/57/20/477915720.db2.gz XQCGOLBBJPCKKU-OAHLLOKOSA-N 1 0 349.431 2.716 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000558743745 477929588 /nfs/dbraw/zinc/92/95/88/477929588.db2.gz ZTPLCJUIJQTUHD-OAHLLOKOSA-N 1 0 334.420 2.920 20 5 EFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CO2 ZINC000516397836 477930905 /nfs/dbraw/zinc/93/09/05/477930905.db2.gz FZQKECBVASQTPK-CQSZACIVSA-N 1 0 344.367 2.576 20 5 EFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532511329 477939843 /nfs/dbraw/zinc/93/98/43/477939843.db2.gz YKELHPYZNCKXOI-GDZNZVCISA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)F)o2)c1 ZINC000428645515 477948793 /nfs/dbraw/zinc/94/87/93/477948793.db2.gz CRNKNFNUHAETKU-LLVKDONJSA-N 1 0 326.299 2.961 20 5 EFBDRO COc1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421084376 477952487 /nfs/dbraw/zinc/95/24/87/477952487.db2.gz GNCLPKQRWMGBHQ-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459548318 477966928 /nfs/dbraw/zinc/96/69/28/477966928.db2.gz XSPHTHBYQMADQA-KRWDZBQOSA-N 1 0 349.431 2.700 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000559294271 477973786 /nfs/dbraw/zinc/97/37/86/477973786.db2.gz UICVEENVCVIKPB-AWEZNQCLSA-N 1 0 333.432 2.719 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000494480145 477995306 /nfs/dbraw/zinc/99/53/06/477995306.db2.gz YIRXCNPTRGVQPL-MSOLQXFVSA-N 1 0 347.459 2.616 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000451413568 478001179 /nfs/dbraw/zinc/00/11/79/478001179.db2.gz BUBLOJPSRYLVFN-JGGQBBKZSA-N 1 0 338.379 2.868 20 5 EFBDRO CCc1noc(C)c1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000559882162 478005712 /nfs/dbraw/zinc/00/57/12/478005712.db2.gz JNSAAYSHWZMCPP-NSHDSACASA-N 1 0 346.387 2.961 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439615276 478007105 /nfs/dbraw/zinc/00/71/05/478007105.db2.gz FOZQPVVRHAIWIT-AEAUEXCSSA-N 1 0 347.415 2.715 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439617145 478007477 /nfs/dbraw/zinc/00/74/77/478007477.db2.gz YORLJMPAICDLOE-OJDYBEQGSA-N 1 0 347.415 2.715 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000516921536 478012186 /nfs/dbraw/zinc/01/21/86/478012186.db2.gz QFIFKMYHFTUWHR-INIZCTEOSA-N 1 0 327.384 2.513 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000451428272 478012422 /nfs/dbraw/zinc/01/24/22/478012422.db2.gz YBLPBLRKHZVSSS-HFBAOOFYSA-N 1 0 326.343 2.998 20 5 EFBDRO CCO[C@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459629196 478016448 /nfs/dbraw/zinc/01/64/48/478016448.db2.gz GMSVFNMEAKQIFG-VNQPRFMTSA-N 1 0 330.388 2.575 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000439698545 478019485 /nfs/dbraw/zinc/01/94/85/478019485.db2.gz SHNCKOIWPGBNBG-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004530 478032988 /nfs/dbraw/zinc/03/29/88/478032988.db2.gz ZUQBPIACVWRAIY-IIDMSEBBSA-N 1 0 333.432 2.636 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451474534 478035658 /nfs/dbraw/zinc/03/56/58/478035658.db2.gz APSGHPUYRSTOAL-XYPHTWIQSA-N 1 0 347.415 2.635 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000494657239 478035748 /nfs/dbraw/zinc/03/57/48/478035748.db2.gz YXNFBVVWGCLWJZ-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451474532 478036252 /nfs/dbraw/zinc/03/62/52/478036252.db2.gz APSGHPUYRSTOAL-KBRIMQKVSA-N 1 0 347.415 2.635 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000451475470 478037603 /nfs/dbraw/zinc/03/76/03/478037603.db2.gz CQBVGMRYXGQPBY-UAGQMJEPSA-N 1 0 347.415 2.717 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000487517538 478039702 /nfs/dbraw/zinc/03/97/02/478039702.db2.gz OOEHUBYMGFLYJZ-XJKSGUPXSA-N 1 0 342.399 2.563 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451480112 478039817 /nfs/dbraw/zinc/03/98/17/478039817.db2.gz PAOXLQXOBAUYFZ-VUCTXSBTSA-N 1 0 347.415 2.717 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000439866878 478040638 /nfs/dbraw/zinc/04/06/38/478040638.db2.gz OJXOXRADXHIWJO-UHFFFAOYSA-N 1 0 338.408 2.847 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCO[C@@H]21 ZINC000451480403 478040773 /nfs/dbraw/zinc/04/07/73/478040773.db2.gz QBRIVVLIVPWSGY-XZJROXQQSA-N 1 0 330.388 2.764 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451481913 478041695 /nfs/dbraw/zinc/04/16/95/478041695.db2.gz BSGMUGGRXCZFCS-PBHICJAKSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000517042959 478043547 /nfs/dbraw/zinc/04/35/47/478043547.db2.gz DXOQIIJKKGNWIM-OAHLLOKOSA-N 1 0 334.347 2.572 20 5 EFBDRO COC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000459699044 478045434 /nfs/dbraw/zinc/04/54/34/478045434.db2.gz ZWRXMQGMBXRFHA-VEAWUBTESA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421349602 478046431 /nfs/dbraw/zinc/04/64/31/478046431.db2.gz IROOLAAZGKNUOE-DZKIICNBSA-N 1 0 333.432 2.797 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000439917787 478049385 /nfs/dbraw/zinc/04/93/85/478049385.db2.gz SWUPHEAUMAZZNJ-YPMHNXCESA-N 1 0 336.392 2.598 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451493236 478050182 /nfs/dbraw/zinc/05/01/82/478050182.db2.gz DWUOQDFQXQRXFQ-CSMYWGQOSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451539202 478073377 /nfs/dbraw/zinc/07/33/77/478073377.db2.gz FGMBNTBKSWUKFV-RISCZKNCSA-N 1 0 332.360 2.502 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459763439 478078604 /nfs/dbraw/zinc/07/86/04/478078604.db2.gz OBZDYZRFWOHNLM-JKSUJKDBSA-N 1 0 336.388 2.529 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000429201676 478078758 /nfs/dbraw/zinc/07/87/58/478078758.db2.gz SGLSCDUCAWQHDP-ZDUSSCGKSA-N 1 0 335.404 2.834 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000429204759 478079334 /nfs/dbraw/zinc/07/93/34/478079334.db2.gz AULUTPYWPDMKLV-CQSZACIVSA-N 1 0 349.431 2.858 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451544921 478079733 /nfs/dbraw/zinc/07/97/33/478079733.db2.gz QINLDLZMPVZINN-RHSMWYFYSA-N 1 0 349.431 2.979 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000533447653 478081700 /nfs/dbraw/zinc/08/17/00/478081700.db2.gz NDRGYZXSXWTUTJ-UHFFFAOYSA-N 1 0 331.372 2.903 20 5 EFBDRO O=C1CC[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1 ZINC000451546730 478082696 /nfs/dbraw/zinc/08/26/96/478082696.db2.gz JMVPXSVVKWPWKZ-ZBFHGGJFSA-N 1 0 331.416 2.691 20 5 EFBDRO CO[C@@H]1C[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000459772236 478085356 /nfs/dbraw/zinc/08/53/56/478085356.db2.gz SEZKKUSMDLQNMQ-UONOGXRCSA-N 1 0 344.371 2.692 20 5 EFBDRO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451550013 478085751 /nfs/dbraw/zinc/08/57/51/478085751.db2.gz QKVLKJZDBCGXMK-MRXNPFEDSA-N 1 0 331.416 2.787 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549696 478085882 /nfs/dbraw/zinc/08/58/82/478085882.db2.gz QGAKCFUJMIFHTA-YOEHRIQHSA-N 1 0 329.400 2.538 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C/c3ccncc3)C2)nc1 ZINC000494938784 478088023 /nfs/dbraw/zinc/08/80/23/478088023.db2.gz PCILWEWSLFXMSK-YLSAJCSVSA-N 1 0 325.372 2.584 20 5 EFBDRO CCC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000459786105 478090204 /nfs/dbraw/zinc/09/02/04/478090204.db2.gz CXGIIFCSISMNBA-GFCCVEGCSA-N 1 0 349.387 2.820 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[C@@H]1C ZINC000487959923 478091399 /nfs/dbraw/zinc/09/13/99/478091399.db2.gz SKKAUVDBHZLVDC-YOEHRIQHSA-N 1 0 349.431 2.979 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487963670 478093090 /nfs/dbraw/zinc/09/30/90/478093090.db2.gz RNLXWGAWIQUKAT-DZGCQCFKSA-N 1 0 335.404 2.670 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459790392 478094115 /nfs/dbraw/zinc/09/41/15/478094115.db2.gz SCRDBLPZOUQDPX-KWCYVHTRSA-N 1 0 331.372 2.671 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000459793194 478095560 /nfs/dbraw/zinc/09/55/60/478095560.db2.gz TUVZOWWLCZFIAF-CABCVRRESA-N 1 0 334.372 2.509 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459796036 478097099 /nfs/dbraw/zinc/09/70/99/478097099.db2.gz VYJCZEDKNURMJW-VBNZEHGJSA-N 1 0 347.415 2.859 20 5 EFBDRO CC(C)CSCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533555096 478098015 /nfs/dbraw/zinc/09/80/15/478098015.db2.gz MAKAJAVDAZANPW-UHFFFAOYSA-N 1 0 338.477 2.891 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000451569073 478099487 /nfs/dbraw/zinc/09/94/87/478099487.db2.gz SLTLDLCFCVKGAS-OAHLLOKOSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451568682 478100249 /nfs/dbraw/zinc/10/02/49/478100249.db2.gz NYEGDEQOFPHBHH-CZUORRHYSA-N 1 0 335.404 2.589 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487987999 478100507 /nfs/dbraw/zinc/10/05/07/478100507.db2.gz MCEYKELPAGJKIH-UKRRQHHQSA-N 1 0 349.431 2.979 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C ZINC000488001431 478104681 /nfs/dbraw/zinc/10/46/81/478104681.db2.gz JRNMJACNHQHPHS-YOEHRIQHSA-N 1 0 349.431 2.695 20 5 EFBDRO CCOc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000429310637 478108677 /nfs/dbraw/zinc/10/86/77/478108677.db2.gz URRHTRMNBUNQTG-AWEZNQCLSA-N 1 0 328.368 2.956 20 5 EFBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)C(C)C ZINC000451603606 478120230 /nfs/dbraw/zinc/12/02/30/478120230.db2.gz XIDYYVAZMYNYCL-SUMWQHHRSA-N 1 0 334.420 2.850 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000560746913 478128927 /nfs/dbraw/zinc/12/89/27/478128927.db2.gz AHNNMXYELQINJW-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451632205 478133488 /nfs/dbraw/zinc/13/34/88/478133488.db2.gz NNRLYNGFLXPBPI-LERXQTSPSA-N 1 0 332.360 2.863 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518045627 478140228 /nfs/dbraw/zinc/14/02/28/478140228.db2.gz ZWSHWZIOMHRSLW-QGZVFWFLSA-N 1 0 348.447 2.877 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561160089 478159868 /nfs/dbraw/zinc/15/98/68/478159868.db2.gz JMMILGSBYBDIPB-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701262 478165756 /nfs/dbraw/zinc/16/57/56/478165756.db2.gz PQXUEGSCLGLNBF-YRGRVCCFSA-N 1 0 338.379 2.725 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000440823967 478167172 /nfs/dbraw/zinc/16/71/72/478167172.db2.gz XDINKCNGRXABJT-LJQANCHMSA-N 1 0 342.395 2.787 20 5 EFBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](C2CCC2)C1 ZINC000488719748 478173262 /nfs/dbraw/zinc/17/32/62/478173262.db2.gz OUIQECNBRWOELE-CYBMUJFWSA-N 1 0 341.415 2.849 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000518519559 478174250 /nfs/dbraw/zinc/17/42/50/478174250.db2.gz XOXHYVCSJWRJFZ-KRWDZBQOSA-N 1 0 334.803 2.984 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000488743371 478177751 /nfs/dbraw/zinc/17/77/51/478177751.db2.gz HUHQMEQVRZVODN-YRGRVCCFSA-N 1 0 337.395 2.909 20 5 EFBDRO CC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488750669 478179438 /nfs/dbraw/zinc/17/94/38/478179438.db2.gz OGPRWAMBIYHINH-SNUQEOBHSA-N 1 0 331.416 2.964 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451738850 478186202 /nfs/dbraw/zinc/18/62/02/478186202.db2.gz JBTKWYYACWGEDW-ZDUSSCGKSA-N 1 0 325.384 2.659 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451738849 478186363 /nfs/dbraw/zinc/18/63/63/478186363.db2.gz JBTKWYYACWGEDW-CYBMUJFWSA-N 1 0 325.384 2.659 20 5 EFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762829 478188605 /nfs/dbraw/zinc/18/86/05/478188605.db2.gz QUCVIPBHKHDHGF-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](CO)CC(C)(C)C ZINC000451777759 478199819 /nfs/dbraw/zinc/19/98/19/478199819.db2.gz JAGADDIDCRVKDG-AWEZNQCLSA-N 1 0 348.403 2.874 20 5 EFBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](CO)CC(C)(C)C ZINC000451778161 478201438 /nfs/dbraw/zinc/20/14/38/478201438.db2.gz CUXIVDGIDVGTGY-CQSZACIVSA-N 1 0 348.403 2.874 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451784497 478202360 /nfs/dbraw/zinc/20/23/60/478202360.db2.gz UHEAQLXOJJMXSY-ZDUSSCGKSA-N 1 0 337.420 2.571 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000561765879 478204211 /nfs/dbraw/zinc/20/42/11/478204211.db2.gz WRMJFZJIQCSFCN-MPGHIAIKSA-N 1 0 345.443 2.716 20 5 EFBDRO Cc1nc2ccccn2c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488991284 478208790 /nfs/dbraw/zinc/20/87/90/478208790.db2.gz XNQVKKUJDFRCTK-UHFFFAOYSA-N 1 0 340.387 2.585 20 5 EFBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519142017 478211682 /nfs/dbraw/zinc/21/16/82/478211682.db2.gz VLAQXEIQZKODTJ-DUVNUKRYSA-N 1 0 340.445 2.598 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000562053554 478214877 /nfs/dbraw/zinc/21/48/77/478214877.db2.gz VLQJVSRMYOOTEU-GXFFZTMASA-N 1 0 334.294 2.673 20 5 EFBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489162461 478221732 /nfs/dbraw/zinc/22/17/32/478221732.db2.gz OBKVLRYXGSMZAB-UHFFFAOYSA-N 1 0 343.431 2.782 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000495553365 478228188 /nfs/dbraw/zinc/22/81/88/478228188.db2.gz AHPJXMMDWJODHQ-ZFWWWQNUSA-N 1 0 335.404 2.860 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000519636344 478243884 /nfs/dbraw/zinc/24/38/84/478243884.db2.gz DJOQGQCGZSOLQI-LJIGWXMPSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccncc2)C1 ZINC000562444220 478250426 /nfs/dbraw/zinc/25/04/26/478250426.db2.gz NYVNZXYJQDLDLU-HIFRSBDPSA-N 1 0 340.383 2.806 20 5 EFBDRO COCCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000600190448 478273362 /nfs/dbraw/zinc/27/33/62/478273362.db2.gz VLRJQAKDKIBZIH-UHFFFAOYSA-N 1 0 336.388 2.615 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000590658530 478277695 /nfs/dbraw/zinc/27/76/95/478277695.db2.gz YHSRDZWKAHQLCF-IUODEOHRSA-N 1 0 336.388 2.613 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590665846 478280634 /nfs/dbraw/zinc/28/06/34/478280634.db2.gz ZBJFOPMAWHAMPG-CQSZACIVSA-N 1 0 333.432 2.861 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000562615209 478284943 /nfs/dbraw/zinc/28/49/43/478284943.db2.gz UCODQGRYQQDALF-HNNXBMFYSA-N 1 0 345.403 2.776 20 5 EFBDRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579393191 478286454 /nfs/dbraw/zinc/28/64/54/478286454.db2.gz HVUXXXYMDBLUOL-TZMCWYRMSA-N 1 0 336.413 2.617 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594233915 478291576 /nfs/dbraw/zinc/29/15/76/478291576.db2.gz QTNZOZGRMKKUOY-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000520304153 478295112 /nfs/dbraw/zinc/29/51/12/478295112.db2.gz DQNFORQSHCLLMU-CVEARBPZSA-N 1 0 346.431 2.671 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000489990653 478296521 /nfs/dbraw/zinc/29/65/21/478296521.db2.gz GAPCEGVRLBVARK-JSGCOSHPSA-N 1 0 334.420 2.612 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000520425044 478309605 /nfs/dbraw/zinc/30/96/05/478309605.db2.gz IVBBEARZOATDOW-GJZGRUSLSA-N 1 0 331.372 2.541 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000590755433 478323229 /nfs/dbraw/zinc/32/32/29/478323229.db2.gz SXZWUSYDRZDLHE-KZNAEPCWSA-N 1 0 334.416 2.989 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000590755432 478323472 /nfs/dbraw/zinc/32/34/72/478323472.db2.gz SXZWUSYDRZDLHE-KURKYZTESA-N 1 0 334.416 2.989 20 5 EFBDRO C[C@H]1OCC[C@@]12CN(c1nccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000579566728 478325494 /nfs/dbraw/zinc/32/54/94/478325494.db2.gz XLTOYCRWZRVVHU-SJKOYZFVSA-N 1 0 329.356 2.527 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000600315293 478336044 /nfs/dbraw/zinc/33/60/44/478336044.db2.gz RJGUXPFJLVTAPI-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000537985029 478342584 /nfs/dbraw/zinc/34/25/84/478342584.db2.gz QBERBCNFOFJBGY-GZBFAFLISA-N 1 0 340.445 2.910 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000538233679 478351805 /nfs/dbraw/zinc/35/18/05/478351805.db2.gz YRAXGTIVWFGXTO-UHFFFAOYSA-N 1 0 342.351 2.981 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594389080 478357003 /nfs/dbraw/zinc/35/70/03/478357003.db2.gz FDRQAYRNNPLGSU-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000594389840 478357309 /nfs/dbraw/zinc/35/73/09/478357309.db2.gz OJFWXLQDXBLWPP-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594418468 478374582 /nfs/dbraw/zinc/37/45/82/478374582.db2.gz JFLMTVQWBUWCEU-DZGCQCFKSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000570521195 478379945 /nfs/dbraw/zinc/37/99/45/478379945.db2.gz IIWNCOYPMFOVHK-DYVFJYSZSA-N 1 0 343.427 2.516 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594431173 478381465 /nfs/dbraw/zinc/38/14/65/478381465.db2.gz IZUYJQXZRCNKGL-FUHWJXTLSA-N 1 0 331.416 2.722 20 5 EFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570607678 478397035 /nfs/dbraw/zinc/39/70/35/478397035.db2.gz GOWCGEBOGZWVPH-KBPBESRZSA-N 1 0 336.436 2.630 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597532873 478398702 /nfs/dbraw/zinc/39/87/02/478398702.db2.gz NAHRYWJTTMMOLW-DGCLKSJQSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000539082057 478400589 /nfs/dbraw/zinc/40/05/89/478400589.db2.gz IHBWOWARLIEEDE-OPFPJEHXSA-N 1 0 340.445 2.910 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000539076785 478400710 /nfs/dbraw/zinc/40/07/10/478400710.db2.gz GGVODOBKIRRKRK-ZWNOBZJWSA-N 1 0 345.321 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000562985073 478401778 /nfs/dbraw/zinc/40/17/78/478401778.db2.gz GTMNHNUOBRANEN-OWCLPIDISA-N 1 0 346.358 2.619 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539276726 478408647 /nfs/dbraw/zinc/40/86/47/478408647.db2.gz JNPABLDAFVADBP-OAHLLOKOSA-N 1 0 341.411 2.994 20 5 EFBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489819 478409187 /nfs/dbraw/zinc/40/91/87/478409187.db2.gz DWQSQTGWMJHCOG-MRXNPFEDSA-N 1 0 331.416 2.964 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498786 478412658 /nfs/dbraw/zinc/41/26/58/478412658.db2.gz LIHNPIPELGLGGL-RHSMWYFYSA-N 1 0 333.432 2.807 20 5 EFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000594501120 478413899 /nfs/dbraw/zinc/41/38/99/478413899.db2.gz RHORDWAAEFTMNT-HNNXBMFYSA-N 1 0 339.823 2.591 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000594517210 478422586 /nfs/dbraw/zinc/42/25/86/478422586.db2.gz ICHXFGCVRIWUGB-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@H](C(=O)NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000597589156 478423039 /nfs/dbraw/zinc/42/30/39/478423039.db2.gz UJBIXJXVXZTGSM-LBPRGKRZSA-N 1 0 335.379 2.582 20 5 EFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000594520577 478424300 /nfs/dbraw/zinc/42/43/00/478424300.db2.gz JLZKKBUPSCTIJV-MEDUHNTESA-N 1 0 341.415 2.593 20 5 EFBDRO CC(C)Oc1nc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000594546950 478431667 /nfs/dbraw/zinc/43/16/67/478431667.db2.gz SMHMGZRHGVZBTN-UHFFFAOYSA-N 1 0 336.436 2.874 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594554382 478435690 /nfs/dbraw/zinc/43/56/90/478435690.db2.gz CTNWQELHOPGMGO-CQSZACIVSA-N 1 0 336.436 2.945 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000539840827 478445305 /nfs/dbraw/zinc/44/53/05/478445305.db2.gz MFINNRIQHUMTOK-OAHLLOKOSA-N 1 0 333.432 2.980 20 5 EFBDRO COc1cccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000570794535 478447133 /nfs/dbraw/zinc/44/71/33/478447133.db2.gz XAIGYBKSCIJYIK-HNNXBMFYSA-N 1 0 343.383 2.813 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591063139 478447571 /nfs/dbraw/zinc/44/75/71/478447571.db2.gz ZKLWSSPCXURSON-BHYGNILZSA-N 1 0 331.416 2.689 20 5 EFBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c([N+](=O)[O-])cc21 ZINC000594603273 478462407 /nfs/dbraw/zinc/46/24/07/478462407.db2.gz SUCRYNNMQAZHEJ-IUODEOHRSA-N 1 0 343.387 2.672 20 5 EFBDRO O=c1[nH]cnc2cc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c([N+](=O)[O-])cc21 ZINC000594603274 478462685 /nfs/dbraw/zinc/46/26/85/478462685.db2.gz SUCRYNNMQAZHEJ-SWLSCSKDSA-N 1 0 343.387 2.672 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597699245 478469400 /nfs/dbraw/zinc/46/94/00/478469400.db2.gz IYOTZKLOGNGDLK-FRFSOERESA-N 1 0 333.432 2.715 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597700611 478470871 /nfs/dbraw/zinc/47/08/71/478470871.db2.gz OOHSQBOUGVGHHG-ZANVPECISA-N 1 0 345.321 2.778 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000597709778 478473489 /nfs/dbraw/zinc/47/34/89/478473489.db2.gz BMVXHBOOZQERAD-YQVWRLOYSA-N 1 0 343.427 2.643 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597709913 478474133 /nfs/dbraw/zinc/47/41/33/478474133.db2.gz CPCGWHXTIAOYCG-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597709931 478475136 /nfs/dbraw/zinc/47/51/36/478475136.db2.gz DCDNEZFJPNEAIK-GOSISDBHSA-N 1 0 347.415 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000591150692 478475854 /nfs/dbraw/zinc/47/58/54/478475854.db2.gz NZWLJBNLQBKRKV-INIZCTEOSA-N 1 0 342.399 2.808 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712238 478479556 /nfs/dbraw/zinc/47/95/56/478479556.db2.gz VEYNSEQQGHBNPB-QWHCGFSZSA-N 1 0 347.440 2.962 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496017675 478482613 /nfs/dbraw/zinc/48/26/13/478482613.db2.gz YLBFPKCUPPPQBN-IDJPSDCMSA-N 1 0 345.399 2.772 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000540607184 478484362 /nfs/dbraw/zinc/48/43/62/478484362.db2.gz BMCRYXTUGBLDEO-JQHQGBHXSA-N 1 0 349.431 2.961 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600723690 478487845 /nfs/dbraw/zinc/48/78/45/478487845.db2.gz DKXLLJKWAZWVOG-GXSJLCMTSA-N 1 0 335.301 2.693 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1=O ZINC000591243850 478497132 /nfs/dbraw/zinc/49/71/32/478497132.db2.gz CMVKZWPYGINVCY-QWHCGFSZSA-N 1 0 337.445 2.581 20 5 EFBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243827 478497612 /nfs/dbraw/zinc/49/76/12/478497612.db2.gz AFIIWWPYHKWZEA-AEFFLSMTSA-N 1 0 339.395 2.800 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCC[NH2+]3)cs2)c1 ZINC000591275560 478505121 /nfs/dbraw/zinc/50/51/21/478505121.db2.gz CDMCQJATVLPVJE-ZDUSSCGKSA-N 1 0 332.429 2.950 20 5 EFBDRO C[C@H]([NH3+])c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275152 478505216 /nfs/dbraw/zinc/50/52/16/478505216.db2.gz IZVXAXFQGGDNLQ-NSHDSACASA-N 1 0 329.356 2.998 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591299003 478513914 /nfs/dbraw/zinc/51/39/14/478513914.db2.gz WKFLWKQAWYSPDS-KBPBESRZSA-N 1 0 332.404 2.838 20 5 EFBDRO COC(=O)c1cc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)cc([N+](=O)[O-])c1 ZINC000600789776 478521563 /nfs/dbraw/zinc/52/15/63/478521563.db2.gz VREXISDXQLNKIS-KRWDZBQOSA-N 1 0 342.351 2.709 20 5 EFBDRO COC(=O)c1cc(-c2cccc([C@H]3C[NH2+]CCO3)c2)cc([N+](=O)[O-])c1 ZINC000600790118 478522476 /nfs/dbraw/zinc/52/24/76/478522476.db2.gz ZDRPVNPUCSMZRW-QGZVFWFLSA-N 1 0 342.351 2.709 20 5 EFBDRO Cc1ccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)cc1[N+](=O)[O-] ZINC000600791599 478524213 /nfs/dbraw/zinc/52/42/13/478524213.db2.gz SXGGWBCSOLPKFW-OAHLLOKOSA-N 1 0 340.383 2.903 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000582176041 478528987 /nfs/dbraw/zinc/52/89/87/478528987.db2.gz WYGYPNRLDSAKKO-INIZCTEOSA-N 1 0 343.383 2.700 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491384997 478530777 /nfs/dbraw/zinc/53/07/77/478530777.db2.gz MRLCZQBSIZPERN-ZBTGYSDGSA-N 1 0 329.400 2.695 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563362229 478530926 /nfs/dbraw/zinc/53/09/26/478530926.db2.gz BXGOITLBKSZLQR-MRXNPFEDSA-N 1 0 344.415 2.963 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591347968 478532171 /nfs/dbraw/zinc/53/21/71/478532171.db2.gz MHJUNLZWEAOTEQ-HZPDHXFCSA-N 1 0 346.431 2.516 20 5 EFBDRO CC[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000591352789 478532881 /nfs/dbraw/zinc/53/28/81/478532881.db2.gz SDWKRMJZEFCXRZ-WBVHZDCISA-N 1 0 348.447 2.686 20 5 EFBDRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591354612 478534461 /nfs/dbraw/zinc/53/44/61/478534461.db2.gz CQWPMKRBRFVNDK-GZBFAFLISA-N 1 0 334.420 2.733 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854837 478542122 /nfs/dbraw/zinc/54/21/22/478542122.db2.gz NGQSRGTWAXFTNL-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436555 478551022 /nfs/dbraw/zinc/55/10/22/478551022.db2.gz BSQLNJSFEUHZRJ-CZUORRHYSA-N 1 0 339.399 2.548 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439682 478552330 /nfs/dbraw/zinc/55/23/30/478552330.db2.gz XTXPNCOCRKBRHK-KOLCDFICSA-N 1 0 326.194 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4CC[NH2+][C@H]4C3)n2)cc1 ZINC000591439418 478552543 /nfs/dbraw/zinc/55/25/43/478552543.db2.gz USYIPTFBWNZEBT-OCCSQVGLSA-N 1 0 330.413 2.907 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000591440207 478552591 /nfs/dbraw/zinc/55/25/91/478552591.db2.gz WLMUCBBXJBGKFL-KBPBESRZSA-N 1 0 330.363 2.793 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439684 478552962 /nfs/dbraw/zinc/55/29/62/478552962.db2.gz XTXPNCOCRKBRHK-MWLCHTKSSA-N 1 0 326.194 2.546 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccn1 ZINC000563418830 478554764 /nfs/dbraw/zinc/55/47/64/478554764.db2.gz QCTSDRIWHROZJZ-CQSZACIVSA-N 1 0 326.356 2.596 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597920362 478574310 /nfs/dbraw/zinc/57/43/10/478574310.db2.gz AQLJMKXITIXOMF-NSHDSACASA-N 1 0 337.445 2.919 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597920361 478574642 /nfs/dbraw/zinc/57/46/42/478574642.db2.gz AQLJMKXITIXOMF-LLVKDONJSA-N 1 0 337.445 2.919 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597921981 478576502 /nfs/dbraw/zinc/57/65/02/478576502.db2.gz IRIVCFVRNAPCRN-LBPRGKRZSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922558 478576711 /nfs/dbraw/zinc/57/67/11/478576711.db2.gz GDWSEBPOVNGARL-GFCCVEGCSA-N 1 0 337.445 2.676 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000582373622 478582007 /nfs/dbraw/zinc/58/20/07/478582007.db2.gz AWHSFASCFHJTBI-BHYGNILZSA-N 1 0 334.416 2.845 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541724222 478583681 /nfs/dbraw/zinc/58/36/81/478583681.db2.gz XKOSRSSQIAWZJF-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491546614 478584135 /nfs/dbraw/zinc/58/41/35/478584135.db2.gz LZGAIQHARVRCQW-YYRKOSNBSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600961188 478586196 /nfs/dbraw/zinc/58/61/96/478586196.db2.gz NNAOCMWTLPBEIJ-CZUORRHYSA-N 1 0 339.395 2.857 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000600961720 478587893 /nfs/dbraw/zinc/58/78/93/478587893.db2.gz RJUSEMNDHZRQRP-DGCLKSJQSA-N 1 0 330.363 2.827 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600970451 478589881 /nfs/dbraw/zinc/58/98/81/478589881.db2.gz KGHOEFNKNCREJW-CQSZACIVSA-N 1 0 343.358 2.738 20 5 EFBDRO CCc1nncn1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000563572225 478590402 /nfs/dbraw/zinc/59/04/02/478590402.db2.gz PFBVEEGXEAVDSH-MRXNPFEDSA-N 1 0 329.404 2.806 20 5 EFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000582448068 478600343 /nfs/dbraw/zinc/60/03/43/478600343.db2.gz PZURWHYZRCVNOL-JSGCOSHPSA-N 1 0 336.388 2.910 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997955 478604448 /nfs/dbraw/zinc/60/44/48/478604448.db2.gz GSVZBUHAIZENIT-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000591676220 478605115 /nfs/dbraw/zinc/60/51/15/478605115.db2.gz FVFYQLYKELOODI-TVQRCGJNSA-N 1 0 345.321 2.813 20 5 EFBDRO CCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)cc1[N+](=O)[O-] ZINC000591681203 478605313 /nfs/dbraw/zinc/60/53/13/478605313.db2.gz XPBZLCAWGSTYCP-OAHLLOKOSA-N 1 0 343.383 2.596 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681399 478605882 /nfs/dbraw/zinc/60/58/82/478605882.db2.gz PTRZQYUZXHJYMW-UHFFFAOYSA-N 1 0 340.383 2.813 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591681498 478605904 /nfs/dbraw/zinc/60/59/04/478605904.db2.gz STPAIJVDGZDGDJ-LLVKDONJSA-N 1 0 335.429 2.721 20 5 EFBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890333 478609285 /nfs/dbraw/zinc/60/92/85/478609285.db2.gz RCZZXPIKCKCHRN-HIFRSBDPSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2c(F)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000601008598 478613059 /nfs/dbraw/zinc/61/30/59/478613059.db2.gz STBMQWMRYQJUIV-SJCJKPOMSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591744335 478617989 /nfs/dbraw/zinc/61/79/89/478617989.db2.gz UFMLVEMMLUQWQF-YTQUADARSA-N 1 0 342.395 2.654 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749201 478619775 /nfs/dbraw/zinc/61/97/75/478619775.db2.gz HKCAJKRLXABUJA-ZDUSSCGKSA-N 1 0 328.372 2.712 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000591758756 478621538 /nfs/dbraw/zinc/62/15/38/478621538.db2.gz GBZOXLMCNHNPCY-MRXNPFEDSA-N 1 0 334.803 2.984 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)C3CCCCC3)n2)c1 ZINC000541984591 478622141 /nfs/dbraw/zinc/62/21/41/478622141.db2.gz PFDROWZPEDBTII-OAHLLOKOSA-N 1 0 346.387 2.676 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000595001443 478623516 /nfs/dbraw/zinc/62/35/16/478623516.db2.gz UNXAPDLKLNTVCJ-SJKOYZFVSA-N 1 0 346.383 2.563 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000591766175 478624743 /nfs/dbraw/zinc/62/47/43/478624743.db2.gz LIPRTVYCJLZIHB-CQSZACIVSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000591768315 478624836 /nfs/dbraw/zinc/62/48/36/478624836.db2.gz XHLBVSAJWHOZGN-QWHCGFSZSA-N 1 0 344.358 2.750 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563748583 478626502 /nfs/dbraw/zinc/62/65/02/478626502.db2.gz VSACKMPHKQTIBG-NVXWUHKLSA-N 1 0 342.395 2.920 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000595012935 478630028 /nfs/dbraw/zinc/63/00/28/478630028.db2.gz GCHZGTAOAMRDBZ-LLVKDONJSA-N 1 0 343.374 2.984 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000595019005 478631048 /nfs/dbraw/zinc/63/10/48/478631048.db2.gz PDPPFRVUQVJVHE-ZDUSSCGKSA-N 1 0 349.431 2.903 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000595019986 478631208 /nfs/dbraw/zinc/63/12/08/478631208.db2.gz SUDZGQLPVQDQCN-GUYCJALGSA-N 1 0 349.431 2.901 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000595019003 478631410 /nfs/dbraw/zinc/63/14/10/478631410.db2.gz PDPPFRVUQVJVHE-CYBMUJFWSA-N 1 0 349.431 2.903 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582580519 478633163 /nfs/dbraw/zinc/63/31/63/478633163.db2.gz LCGBUWULTMWGNJ-KFWWJZLASA-N 1 0 333.432 2.935 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000595026626 478633574 /nfs/dbraw/zinc/63/35/74/478633574.db2.gz NKLWYNGRXSBEOR-CYBMUJFWSA-N 1 0 330.384 2.989 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000595041370 478638502 /nfs/dbraw/zinc/63/85/02/478638502.db2.gz KOBDQLQRECTMGT-WBMJQRKESA-N 1 0 348.374 2.997 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595043601 478638731 /nfs/dbraw/zinc/63/87/31/478638731.db2.gz WTYIGMMTHHSKMV-WBMJQRKESA-N 1 0 337.420 2.757 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000595041368 478638917 /nfs/dbraw/zinc/63/89/17/478638917.db2.gz KOBDQLQRECTMGT-LRDDRELGSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000601069472 478639184 /nfs/dbraw/zinc/63/91/84/478639184.db2.gz MAWCFLLROYMSOF-GOSISDBHSA-N 1 0 328.368 2.611 20 5 EFBDRO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000601069200 478639332 /nfs/dbraw/zinc/63/93/32/478639332.db2.gz KJHPZENQJJVVRI-LJQANCHMSA-N 1 0 342.395 2.919 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000595044670 478640502 /nfs/dbraw/zinc/64/05/02/478640502.db2.gz NMAIZLZYSJMABI-BHYNMZESSA-N 1 0 330.331 2.803 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000571657210 478648458 /nfs/dbraw/zinc/64/84/58/478648458.db2.gz LJNZNRLBMSAMIZ-KGLIPLIRSA-N 1 0 334.420 2.840 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C(C)C ZINC000571678535 478653645 /nfs/dbraw/zinc/65/36/45/478653645.db2.gz RWNOOOKWXKZARK-UHFFFAOYSA-N 1 0 325.434 2.825 20 5 EFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079842 478653883 /nfs/dbraw/zinc/65/38/83/478653883.db2.gz ZOMOBDJZGRJBBV-CABCVRRESA-N 1 0 344.419 2.676 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595098583 478659380 /nfs/dbraw/zinc/65/93/80/478659380.db2.gz BZCBWMCCEMFRHZ-CHWSQXEVSA-N 1 0 349.431 2.901 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595099915 478659420 /nfs/dbraw/zinc/65/94/20/478659420.db2.gz GPTBLHYMFNPBEE-CRAIPNDOSA-N 1 0 347.459 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595098589 478659798 /nfs/dbraw/zinc/65/97/98/478659798.db2.gz BZCBWMCCEMFRHZ-STQMWFEESA-N 1 0 349.431 2.901 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000595100777 478660742 /nfs/dbraw/zinc/66/07/42/478660742.db2.gz IVBVZXAGPWNIAV-IUODEOHRSA-N 1 0 331.416 2.819 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595106585 478662042 /nfs/dbraw/zinc/66/20/42/478662042.db2.gz VOXMCGRVZYFKQW-WMLDXEAASA-N 1 0 333.432 2.807 20 5 EFBDRO CCOC(=O)Cc1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000591889259 478678107 /nfs/dbraw/zinc/67/81/07/478678107.db2.gz ROBJTYIRWFCXCX-UHFFFAOYSA-N 1 0 349.431 2.985 20 5 EFBDRO CS[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601134404 478678504 /nfs/dbraw/zinc/67/85/04/478678504.db2.gz BPAULNPHAVVQLV-JKSUJKDBSA-N 1 0 332.429 2.625 20 5 EFBDRO CCOC(=O)Cc1ccc(NC2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000591892124 478678855 /nfs/dbraw/zinc/67/88/55/478678855.db2.gz RLHPGIUONOVIOY-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(CC(=O)OCC)cc2[N+](=O)[O-])C1 ZINC000591901259 478685246 /nfs/dbraw/zinc/68/52/46/478685246.db2.gz SWLGDPYAHVUCTQ-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595220539 478691721 /nfs/dbraw/zinc/69/17/21/478691721.db2.gz IOULESYNYQBEKH-INIZCTEOSA-N 1 0 331.416 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000601153434 478692713 /nfs/dbraw/zinc/69/27/13/478692713.db2.gz YKHMEVYEQHSTCW-UHFFFAOYSA-N 1 0 344.440 2.833 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC000595223288 478693149 /nfs/dbraw/zinc/69/31/49/478693149.db2.gz YDJUKJFGPLRISS-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000582828002 478694143 /nfs/dbraw/zinc/69/41/43/478694143.db2.gz KHJWXPBFTONTBX-LXZKKBNFSA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595225872 478694294 /nfs/dbraw/zinc/69/42/94/478694294.db2.gz PLSHNEBCLKIUQC-HZPDHXFCSA-N 1 0 331.416 2.898 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595229961 478694882 /nfs/dbraw/zinc/69/48/82/478694882.db2.gz JGAXWQVPZRTJQC-CQSZACIVSA-N 1 0 332.404 2.838 20 5 EFBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+](C4CCC4)CC3)c2c1 ZINC000601171244 478702552 /nfs/dbraw/zinc/70/25/52/478702552.db2.gz JIMXTXXOEXEWNC-UHFFFAOYSA-N 1 0 326.400 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258182 478703887 /nfs/dbraw/zinc/70/38/87/478703887.db2.gz RTAZGIZNHYQVSD-KRWDZBQOSA-N 1 0 341.367 2.816 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595257899 478704697 /nfs/dbraw/zinc/70/46/97/478704697.db2.gz CBLSEHVMDGPGMB-UKRRQHHQSA-N 1 0 349.431 2.973 20 5 EFBDRO CCc1ccc([C@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000542913049 478706215 /nfs/dbraw/zinc/70/62/15/478706215.db2.gz CFANPDIBOGTDRY-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO COc1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595258759 478706487 /nfs/dbraw/zinc/70/64/87/478706487.db2.gz TXMBJDKGIPWNJB-UKRRQHHQSA-N 1 0 349.431 2.512 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220525 478710960 /nfs/dbraw/zinc/71/09/60/478710960.db2.gz QJIFQRJQGRLKRC-OAHLLOKOSA-N 1 0 331.416 2.661 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222079 478713156 /nfs/dbraw/zinc/71/31/56/478713156.db2.gz ZWZYZSPSIVYGRG-OAHLLOKOSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1noc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000595299834 478721445 /nfs/dbraw/zinc/72/14/45/478721445.db2.gz ZIIZODLUALNUIW-UHFFFAOYSA-N 1 0 336.436 2.979 20 5 EFBDRO Cc1noc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000595304835 478722938 /nfs/dbraw/zinc/72/29/38/478722938.db2.gz CUYLDJDTVWIHPE-HNNXBMFYSA-N 1 0 336.436 2.979 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000598261901 478730540 /nfs/dbraw/zinc/73/05/40/478730540.db2.gz IAUCVXNMRQRXJJ-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000491909170 478733092 /nfs/dbraw/zinc/73/30/92/478733092.db2.gz BDEPNYKGVSGLDX-WRXNQZLMSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000491917355 478737804 /nfs/dbraw/zinc/73/78/04/478737804.db2.gz YLPNQGATELWGND-KQOCBEFLSA-N 1 0 349.406 2.936 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000491924954 478740197 /nfs/dbraw/zinc/74/01/97/478740197.db2.gz KZOSNBYNENZIQL-SYMMMWLZSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000491924952 478740368 /nfs/dbraw/zinc/74/03/68/478740368.db2.gz KZOSNBYNENZIQL-NRXPATIISA-N 1 0 331.416 2.939 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000491933953 478745561 /nfs/dbraw/zinc/74/55/61/478745561.db2.gz CSDZZNNSSDMMRR-BRDDXIKOSA-N 1 0 335.379 2.688 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491938520 478746629 /nfs/dbraw/zinc/74/66/29/478746629.db2.gz LFGFNGPPXHLCPB-ICFKLAHKSA-N 1 0 347.390 2.832 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491940352 478747164 /nfs/dbraw/zinc/74/71/64/478747164.db2.gz OZYACLFDVZAFBL-VSKVDJIOSA-N 1 0 349.406 2.937 20 5 EFBDRO Cc1cccc(NCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000491946222 478750232 /nfs/dbraw/zinc/75/02/32/478750232.db2.gz UNQUSUZZRMMFKU-CMDGGOBGSA-N 1 0 326.356 2.540 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCc3ccccc3)C2)nc1 ZINC000595374586 478752688 /nfs/dbraw/zinc/75/26/88/478752688.db2.gz HBAFONSAJIDEGF-INIZCTEOSA-N 1 0 342.399 2.693 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000491961651 478756571 /nfs/dbraw/zinc/75/65/71/478756571.db2.gz IJZMDQJTXRYDLX-TWGQIWQCSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000601272524 478758930 /nfs/dbraw/zinc/75/89/30/478758930.db2.gz GMVFPWHGZXERJJ-CYBMUJFWSA-N 1 0 327.388 2.884 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c2c(c1)COCO2 ZINC000564564089 478760504 /nfs/dbraw/zinc/76/05/04/478760504.db2.gz KWDSZIORXYEZQS-AWEZNQCLSA-N 1 0 341.367 2.846 20 5 EFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000595393239 478761193 /nfs/dbraw/zinc/76/11/93/478761193.db2.gz PUXWQZPNUDANMK-CYBMUJFWSA-N 1 0 341.371 2.906 20 5 EFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601281489 478762648 /nfs/dbraw/zinc/76/26/48/478762648.db2.gz YQGBAESFUATYEX-UHFFFAOYSA-N 1 0 335.379 2.871 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295393 478771245 /nfs/dbraw/zinc/77/12/45/478771245.db2.gz VONWULQERXSZER-ZWNOBZJWSA-N 1 0 343.309 2.949 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000572195137 478772596 /nfs/dbraw/zinc/77/25/96/478772596.db2.gz MKQNDWDYMZYOCC-ZDUSSCGKSA-N 1 0 334.420 2.583 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342475 478776343 /nfs/dbraw/zinc/77/63/43/478776343.db2.gz IZRZJEFIDMEYJX-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO CS[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000595433925 478779534 /nfs/dbraw/zinc/77/95/34/478779534.db2.gz WWYIIPNUAFYZHK-HOTGVXAUSA-N 1 0 339.436 2.746 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595447723 478789113 /nfs/dbraw/zinc/78/91/13/478789113.db2.gz PRHIXAXTDLPGKR-OAHLLOKOSA-N 1 0 346.431 2.516 20 5 EFBDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583259182 478806314 /nfs/dbraw/zinc/80/63/14/478806314.db2.gz XEYZRDQIZKAPBF-ZYHUDNBSSA-N 1 0 336.310 2.655 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000544144171 478812350 /nfs/dbraw/zinc/81/23/50/478812350.db2.gz ZQOYGIQIQMVASS-ZBFHGGJFSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2cccnc2)C1 ZINC000564797658 478813603 /nfs/dbraw/zinc/81/36/03/478813603.db2.gz XOFZQPKXOPRIEB-DZGCQCFKSA-N 1 0 340.383 2.806 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492082485 478814930 /nfs/dbraw/zinc/81/49/30/478814930.db2.gz IUHAADLDTUPJCT-HEWZJLJBSA-N 1 0 335.379 2.690 20 5 EFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592200127 478823258 /nfs/dbraw/zinc/82/32/58/478823258.db2.gz KPXKLSPRSGEUEA-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000572378492 478823864 /nfs/dbraw/zinc/82/38/64/478823864.db2.gz GTYAWVQWFAPCDE-MRXNPFEDSA-N 1 0 331.416 2.640 20 5 EFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592205088 478824065 /nfs/dbraw/zinc/82/40/65/478824065.db2.gz XIOLKLRJRMKRFB-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO Cc1noc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1[N+](=O)[O-] ZINC000595504713 478824215 /nfs/dbraw/zinc/82/42/15/478824215.db2.gz HOAPTNQFESJTML-UHFFFAOYSA-N 1 0 349.362 2.912 20 5 EFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000592205105 478824826 /nfs/dbraw/zinc/82/48/26/478824826.db2.gz XIOLKLRJRMKRFB-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592200880 478825572 /nfs/dbraw/zinc/82/55/72/478825572.db2.gz RIJWJLJFOCNKND-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492109703 478826815 /nfs/dbraw/zinc/82/68/15/478826815.db2.gz NBXAWVQFHOUPCM-BRDDXIKOSA-N 1 0 335.379 2.592 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595520983 478832426 /nfs/dbraw/zinc/83/24/26/478832426.db2.gz UVZZVIJIRFVZEI-INIZCTEOSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1noc(CN2CCC3(CC2)OCCc2ccccc23)c1[N+](=O)[O-] ZINC000595523435 478833403 /nfs/dbraw/zinc/83/34/03/478833403.db2.gz IXBPOHKBXWPZFA-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000595536954 478839249 /nfs/dbraw/zinc/83/92/49/478839249.db2.gz YISHIKONUZQPJK-CQSZACIVSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592254091 478842365 /nfs/dbraw/zinc/84/23/65/478842365.db2.gz SWXGARXSIHINKK-HZPDHXFCSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000592256455 478843243 /nfs/dbraw/zinc/84/32/43/478843243.db2.gz ZGHZTARAORBLQB-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000592256453 478843512 /nfs/dbraw/zinc/84/35/12/478843512.db2.gz ZGHZTARAORBLQB-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595544220 478844843 /nfs/dbraw/zinc/84/48/43/478844843.db2.gz NJNRSKZWHQRTKN-DZGCQCFKSA-N 1 0 334.420 2.748 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595544226 478845302 /nfs/dbraw/zinc/84/53/02/478845302.db2.gz NJNRSKZWHQRTKN-ZFWWWQNUSA-N 1 0 334.420 2.748 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595544222 478845970 /nfs/dbraw/zinc/84/59/70/478845970.db2.gz NJNRSKZWHQRTKN-HIFRSBDPSA-N 1 0 334.420 2.748 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492163428 478855428 /nfs/dbraw/zinc/85/54/28/478855428.db2.gz OBLSHBXTPJSNAP-KXQLTZBTSA-N 1 0 349.406 2.841 20 5 EFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592333353 478862425 /nfs/dbraw/zinc/86/24/25/478862425.db2.gz XZVUZWOFTPRIGW-SKDRFNHKSA-N 1 0 345.321 2.813 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595572293 478862500 /nfs/dbraw/zinc/86/25/00/478862500.db2.gz DORLENQKAWEQMI-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000564942359 478866623 /nfs/dbraw/zinc/86/66/23/478866623.db2.gz NIHUZIGNWOKHMJ-UHFFFAOYSA-N 1 0 348.428 2.836 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356644 478867474 /nfs/dbraw/zinc/86/74/74/478867474.db2.gz CAPGQBJEHWNHKD-SECBINFHSA-N 1 0 339.149 2.832 20 5 EFBDRO C[C@@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000544847141 478870378 /nfs/dbraw/zinc/87/03/78/478870378.db2.gz SVQAHQKKJRRKIM-GDBMZVCRSA-N 1 0 341.415 2.519 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000572585801 478872169 /nfs/dbraw/zinc/87/21/69/478872169.db2.gz VKEYKSSYGDAFDO-NVXWUHKLSA-N 1 0 346.431 2.659 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598512401 478872328 /nfs/dbraw/zinc/87/23/28/478872328.db2.gz ZIQYDDFTOOCARL-QGZVFWFLSA-N 1 0 339.395 2.528 20 5 EFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592396054 478884000 /nfs/dbraw/zinc/88/40/00/478884000.db2.gz FZKIJRUNOLFYRM-KCQAQPDRSA-N 1 0 337.420 2.699 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539378 478885594 /nfs/dbraw/zinc/88/55/94/478885594.db2.gz CZHZRYUYWUXBCK-UHFFFAOYSA-N 1 0 345.443 2.766 20 5 EFBDRO Cc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000598544456 478888899 /nfs/dbraw/zinc/88/88/99/478888899.db2.gz XOZDNXAOGXBFRF-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000492244535 478889254 /nfs/dbraw/zinc/88/92/54/478889254.db2.gz UFRJGBZAPOTCIJ-JTGQJZMRSA-N 1 0 343.427 2.798 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601584812 478891059 /nfs/dbraw/zinc/89/10/59/478891059.db2.gz PDSTZSADULUNGV-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427671 478892308 /nfs/dbraw/zinc/89/23/08/478892308.db2.gz PBRWELSRJLWLIC-GWCFXTLKSA-N 1 0 329.347 2.755 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592434123 478893409 /nfs/dbraw/zinc/89/34/09/478893409.db2.gz JYVPNENELHFMSS-ZFWWWQNUSA-N 1 0 333.363 2.987 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000598560803 478895031 /nfs/dbraw/zinc/89/50/31/478895031.db2.gz NMMJXWKLHWLRDB-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000598576585 478906679 /nfs/dbraw/zinc/90/66/79/478906679.db2.gz XGJCGJLSEGGTSJ-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507421378 478920708 /nfs/dbraw/zinc/92/07/08/478920708.db2.gz LPCVOEXQZZGOEM-MGPQQGTHSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592543461 478940041 /nfs/dbraw/zinc/94/00/41/478940041.db2.gz BPTVDCFVABKWEJ-OAHLLOKOSA-N 1 0 333.432 2.962 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554708 478940988 /nfs/dbraw/zinc/94/09/88/478940988.db2.gz MGIGSMOSUYMPIF-QWHCGFSZSA-N 1 0 335.379 2.586 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592568920 478944155 /nfs/dbraw/zinc/94/41/55/478944155.db2.gz QOPPKLRZFRYRPL-CQSZACIVSA-N 1 0 344.415 2.574 20 5 EFBDRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000583805907 478945988 /nfs/dbraw/zinc/94/59/88/478945988.db2.gz HKVKHIFGVYMKPA-CVEARBPZSA-N 1 0 335.452 2.739 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000509029469 478946281 /nfs/dbraw/zinc/94/62/81/478946281.db2.gz GERQYSDSNJQTRH-MRXNPFEDSA-N 1 0 343.431 2.882 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595703641 478948858 /nfs/dbraw/zinc/94/88/58/478948858.db2.gz UUBWNMLAKHFDHB-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598667235 478953494 /nfs/dbraw/zinc/95/34/94/478953494.db2.gz APLDGWGFHCICGC-AWEZNQCLSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598666251 478953676 /nfs/dbraw/zinc/95/36/76/478953676.db2.gz WGCJAXLRUXQXHW-CQSZACIVSA-N 1 0 331.416 2.866 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000598666892 478954255 /nfs/dbraw/zinc/95/42/55/478954255.db2.gz BAINFSHZEVDEQX-BDJLRTHQSA-N 1 0 331.397 2.763 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668259 478954769 /nfs/dbraw/zinc/95/47/69/478954769.db2.gz RHLBABUCIXSOGF-ZBEGNZNMSA-N 1 0 335.429 2.660 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668256 478955184 /nfs/dbraw/zinc/95/51/84/478955184.db2.gz RHLBABUCIXSOGF-BDJLRTHQSA-N 1 0 335.429 2.660 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC000583866284 478959543 /nfs/dbraw/zinc/95/95/43/478959543.db2.gz OVXARTKETWGXIE-GFCCVEGCSA-N 1 0 343.383 2.945 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573020628 478975378 /nfs/dbraw/zinc/97/53/78/478975378.db2.gz QQDZSARMIHXEBQ-KDOFPFPSSA-N 1 0 345.443 2.673 20 5 EFBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573040294 478976684 /nfs/dbraw/zinc/97/66/84/478976684.db2.gz ZKAOCJQYZXSSOX-DZGCQCFKSA-N 1 0 348.374 2.694 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511911893 478986119 /nfs/dbraw/zinc/98/61/19/478986119.db2.gz WMSVEUCXZQCLCM-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO CC(C)Oc1nc(N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000565432423 479007598 /nfs/dbraw/zinc/00/75/98/479007598.db2.gz MWZVDZSIQRTTMG-UHFFFAOYSA-N 1 0 348.403 2.938 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822334 479016331 /nfs/dbraw/zinc/01/63/31/479016331.db2.gz RBEPRVDDFJICSQ-UHFFFAOYSA-N 1 0 332.400 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000595867448 479041360 /nfs/dbraw/zinc/04/13/60/479041360.db2.gz NIFUGPKOANAKFF-INIZCTEOSA-N 1 0 338.310 2.575 20 5 EFBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514669291 479045874 /nfs/dbraw/zinc/04/58/74/479045874.db2.gz ZHPHZIQDGMOEGS-HUUCEWRRSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000584194852 479048287 /nfs/dbraw/zinc/04/82/87/479048287.db2.gz BWRVAZBVFQMCFC-AWEZNQCLSA-N 1 0 334.347 2.572 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000546649717 479048584 /nfs/dbraw/zinc/04/85/84/479048584.db2.gz CALGTBDKVMZHCJ-TZMCWYRMSA-N 1 0 335.404 2.859 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595907540 479063292 /nfs/dbraw/zinc/06/32/92/479063292.db2.gz AHJCBUPKOJEBNI-RYUDHWBXSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595907541 479063490 /nfs/dbraw/zinc/06/34/90/479063490.db2.gz AHJCBUPKOJEBNI-VXGBXAGGSA-N 1 0 335.404 2.908 20 5 EFBDRO CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592832775 479064118 /nfs/dbraw/zinc/06/41/18/479064118.db2.gz VZAUBXRYOFDOIM-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000592832160 479065203 /nfs/dbraw/zinc/06/52/03/479065203.db2.gz RWTFOKLTJAPZEE-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595912373 479066488 /nfs/dbraw/zinc/06/64/88/479066488.db2.gz KRPMCUVBZIGULT-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608136 479079494 /nfs/dbraw/zinc/07/94/94/479079494.db2.gz ZRQISLRJLIVYMK-DOTOQJQBSA-N 1 0 331.372 2.891 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](c2ccncc2)C1 ZINC000514869541 479080945 /nfs/dbraw/zinc/08/09/45/479080945.db2.gz AZSVYIHOOLFHEV-HNNXBMFYSA-N 1 0 340.383 2.726 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000493615060 479083008 /nfs/dbraw/zinc/08/30/08/479083008.db2.gz FMQDNRDNWRBYMW-PYUISTEWSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000598914120 479083120 /nfs/dbraw/zinc/08/31/20/479083120.db2.gz ZDZVXXCRXJXXPH-NXEZZACHSA-N 1 0 326.784 2.697 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000598914346 479083414 /nfs/dbraw/zinc/08/34/14/479083414.db2.gz AVAQVAMUJBUMDA-LSDHHAIUSA-N 1 0 336.367 2.872 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914506 479083556 /nfs/dbraw/zinc/08/35/56/479083556.db2.gz GRBFEHMDFMAGLX-GFCCVEGCSA-N 1 0 326.784 2.758 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915756 479084364 /nfs/dbraw/zinc/08/43/64/479084364.db2.gz OAUCBMOKNYKTCZ-LLVKDONJSA-N 1 0 326.784 2.854 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598915181 479084847 /nfs/dbraw/zinc/08/48/47/479084847.db2.gz JQKPSVTZKDOIMP-SNVBAGLBSA-N 1 0 326.784 2.841 20 5 EFBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595983045 479087374 /nfs/dbraw/zinc/08/73/74/479087374.db2.gz MWHZVPIUPCDAIR-ZDUSSCGKSA-N 1 0 342.399 2.545 20 5 EFBDRO O=[N+]([O-])c1ccc(SC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000601957281 479094300 /nfs/dbraw/zinc/09/43/00/479094300.db2.gz IIYVCAVEUBAYIF-KRWDZBQOSA-N 1 0 345.424 2.719 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@]34CCC[C@@H]3C[NH2+]C4)cs2)c1 ZINC000601972761 479102430 /nfs/dbraw/zinc/10/24/30/479102430.db2.gz OSFOLGGAYGGQCU-DYVFJYSZSA-N 1 0 344.440 2.950 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598971691 479108322 /nfs/dbraw/zinc/10/83/22/479108322.db2.gz BDLRDBNQULUKJI-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493671820 479108761 /nfs/dbraw/zinc/10/87/61/479108761.db2.gz COWHIXGLVNLLHB-KEDPEKRHSA-N 1 0 335.379 2.688 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCCCC1 ZINC000596058538 479112859 /nfs/dbraw/zinc/11/28/59/479112859.db2.gz KGIXBKXCOOSUOI-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC000596074492 479121368 /nfs/dbraw/zinc/12/13/68/479121368.db2.gz UFGMUZSTEQTHRO-MRXNPFEDSA-N 1 0 334.420 2.616 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077170 479124610 /nfs/dbraw/zinc/12/46/10/479124610.db2.gz LRYHUAJOGSHJGO-ZIAGYGMSSA-N 1 0 348.447 2.864 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)s1 ZINC000599011510 479125802 /nfs/dbraw/zinc/12/58/02/479125802.db2.gz JODDTQBFULTTJM-UKRRQHHQSA-N 1 0 334.397 2.563 20 5 EFBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596082160 479127660 /nfs/dbraw/zinc/12/76/60/479127660.db2.gz MQJWHWGMRDCGNL-GFCCVEGCSA-N 1 0 326.466 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(NCCC[NH+]2CCC(O)CC2)ccc1C(F)(F)F ZINC000596085104 479129204 /nfs/dbraw/zinc/12/92/04/479129204.db2.gz JBINDTAXKLCABJ-UHFFFAOYSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000593027961 479132117 /nfs/dbraw/zinc/13/21/17/479132117.db2.gz HKNQPTMBXOHRAC-CHWSQXEVSA-N 1 0 337.395 2.656 20 5 EFBDRO COC(=O)CC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000599029521 479132883 /nfs/dbraw/zinc/13/28/83/479132883.db2.gz BFFHWEZSKABLBU-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599042726 479136569 /nfs/dbraw/zinc/13/65/69/479136569.db2.gz FKKFANJMAGIDLR-LBPRGKRZSA-N 1 0 346.431 2.629 20 5 EFBDRO Cc1cc(N[C@H]2CCc3nc(C)ncc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596106044 479141766 /nfs/dbraw/zinc/14/17/66/479141766.db2.gz PAOUXWMMBGMNJC-AWEZNQCLSA-N 1 0 349.394 2.941 20 5 EFBDRO CSC1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000493752743 479145346 /nfs/dbraw/zinc/14/53/46/479145346.db2.gz LEHZKUPTYWJQGH-YVMONPNESA-N 1 0 349.456 2.552 20 5 EFBDRO C[NH+](C)CCCOc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596112990 479146141 /nfs/dbraw/zinc/14/61/41/479146141.db2.gz YXRZEYDAVVDQOE-UHFFFAOYSA-N 1 0 346.387 2.638 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066077 479146479 /nfs/dbraw/zinc/14/64/79/479146479.db2.gz ONMLWCILKBSXNV-WCQYABFASA-N 1 0 343.374 2.984 20 5 EFBDRO CC1(C)CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596113968 479146627 /nfs/dbraw/zinc/14/66/27/479146627.db2.gz GBFWDHGPTSBZRV-UHFFFAOYSA-N 1 0 342.399 2.796 20 5 EFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593057645 479147968 /nfs/dbraw/zinc/14/79/68/479147968.db2.gz VHEAERDKZNLLGP-AWEZNQCLSA-N 1 0 335.404 2.813 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593056065 479148383 /nfs/dbraw/zinc/14/83/83/479148383.db2.gz XDEBNGVNGCPZTM-OAHLLOKOSA-N 1 0 338.404 2.872 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593059364 479150710 /nfs/dbraw/zinc/15/07/10/479150710.db2.gz PLSVZEPRJLDCHU-ZIAGYGMSSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)CO1 ZINC000593063271 479152681 /nfs/dbraw/zinc/15/26/81/479152681.db2.gz SYMNKPKNOPYHDT-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000596134679 479158233 /nfs/dbraw/zinc/15/82/33/479158233.db2.gz OCCQIVSCROGILJ-LLVKDONJSA-N 1 0 347.337 2.994 20 5 EFBDRO C[N@@H+]1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000599118040 479166686 /nfs/dbraw/zinc/16/66/86/479166686.db2.gz GRIZIFWQHMVTII-MSOLQXFVSA-N 1 0 339.395 2.556 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000610722168 479167048 /nfs/dbraw/zinc/16/70/48/479167048.db2.gz SFXRIZVNLHTSPV-HNNXBMFYSA-N 1 0 334.420 2.611 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000599140336 479177936 /nfs/dbraw/zinc/17/79/36/479177936.db2.gz UVNBSNJHLWHZQK-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593111588 479181031 /nfs/dbraw/zinc/18/10/31/479181031.db2.gz GXKWQHVCPJVGDV-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574906 479182061 /nfs/dbraw/zinc/18/20/61/479182061.db2.gz HSTHZCVWASFHMV-ZFWWWQNUSA-N 1 0 334.420 2.700 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000596184567 479185536 /nfs/dbraw/zinc/18/55/36/479185536.db2.gz MHKXKTFXNHUZKS-UHFFFAOYSA-N 1 0 347.806 2.789 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000602997158 479185834 /nfs/dbraw/zinc/18/58/34/479185834.db2.gz DMFRTZPUZAENIS-ZACQAIPSSA-N 1 0 348.399 2.587 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000610782739 479187246 /nfs/dbraw/zinc/18/72/46/479187246.db2.gz TVWMOORBLAJPGL-UHFFFAOYSA-N 1 0 340.330 2.833 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988061 479190619 /nfs/dbraw/zinc/19/06/19/479190619.db2.gz XSVTXKYUSRHKFV-HRCADAONSA-N 1 0 335.452 2.739 20 5 EFBDRO CS[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596195871 479191349 /nfs/dbraw/zinc/19/13/49/479191349.db2.gz PEERCRARTFJUKQ-QWHCGFSZSA-N 1 0 327.475 2.981 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])c2)CC1 ZINC000596195396 479191657 /nfs/dbraw/zinc/19/16/57/479191657.db2.gz DGRYTYMKWWZQKT-UHFFFAOYSA-N 1 0 343.387 2.581 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000593130751 479194525 /nfs/dbraw/zinc/19/45/25/479194525.db2.gz JGBQMHMUIKUUJH-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593129256 479194706 /nfs/dbraw/zinc/19/47/06/479194706.db2.gz ADNAEEZVNGNINI-UHFFFAOYSA-N 1 0 339.411 2.857 20 5 EFBDRO CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000593137697 479198967 /nfs/dbraw/zinc/19/89/67/479198967.db2.gz AVRCOUHECVXTKT-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596208784 479199672 /nfs/dbraw/zinc/19/96/72/479199672.db2.gz MEIVWAUKBSECDL-AWEZNQCLSA-N 1 0 337.420 2.825 20 5 EFBDRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584665425 479201349 /nfs/dbraw/zinc/20/13/49/479201349.db2.gz LZOHENOSGGACDH-MRXNPFEDSA-N 1 0 325.368 2.513 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593144027 479202376 /nfs/dbraw/zinc/20/23/76/479202376.db2.gz SBZJBTAVCHVLJG-HNNXBMFYSA-N 1 0 337.395 2.513 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153001 479206308 /nfs/dbraw/zinc/20/63/08/479206308.db2.gz JELWYLIGAMBALF-UHFFFAOYSA-N 1 0 337.395 2.611 20 5 EFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000610856087 479209952 /nfs/dbraw/zinc/20/99/52/479209952.db2.gz GXYLGGZWRHTWJB-KBPBESRZSA-N 1 0 325.434 2.836 20 5 EFBDRO NC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000596224260 479209985 /nfs/dbraw/zinc/20/99/85/479209985.db2.gz FASHXHPSIJDRDF-HNNXBMFYSA-N 1 0 346.431 2.903 20 5 EFBDRO CC1(C)CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000596224011 479210470 /nfs/dbraw/zinc/21/04/70/479210470.db2.gz WRUYENCVPMKXHT-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610877900 479219317 /nfs/dbraw/zinc/21/93/17/479219317.db2.gz WTNPAGMBZMUXLN-HNNXBMFYSA-N 1 0 333.432 2.861 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000596256645 479227467 /nfs/dbraw/zinc/22/74/67/479227467.db2.gz FEBPRKNBYGSNDY-GFCCVEGCSA-N 1 0 329.347 2.791 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000593187454 479228418 /nfs/dbraw/zinc/22/84/18/479228418.db2.gz KQGLDMLWIGUIKJ-AXFHLTTASA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593187640 479228546 /nfs/dbraw/zinc/22/85/46/479228546.db2.gz NGVFABHYZGZEOG-UPJWGTAASA-N 1 0 337.445 2.626 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593186886 479229277 /nfs/dbraw/zinc/22/92/77/479229277.db2.gz AJSCCIVIEHPIBQ-FRRDWIJNSA-N 1 0 335.404 2.547 20 5 EFBDRO CSc1cccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000593189294 479230065 /nfs/dbraw/zinc/23/00/65/479230065.db2.gz KKEPZFLNYYVFLK-UTUOFQBUSA-N 1 0 337.445 2.870 20 5 EFBDRO CSc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188122 479230423 /nfs/dbraw/zinc/23/04/23/479230423.db2.gz VTRSTJSOBGFGBC-UTUOFQBUSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593188569 479230433 /nfs/dbraw/zinc/23/04/33/479230433.db2.gz LWIQPQUVTRUSIA-QJPTWQEYSA-N 1 0 339.823 2.730 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000610915845 479231282 /nfs/dbraw/zinc/23/12/82/479231282.db2.gz RUDGMMGISBCITP-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593190712 479231913 /nfs/dbraw/zinc/23/19/13/479231913.db2.gz OISUPUUAKNQYSZ-MGPQQGTHSA-N 1 0 349.431 2.935 20 5 EFBDRO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000584781712 479241702 /nfs/dbraw/zinc/24/17/02/479241702.db2.gz PGRUBPBLQGPPRF-UHFFFAOYSA-N 1 0 327.384 2.648 20 5 EFBDRO CC(C)Oc1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596308437 479247712 /nfs/dbraw/zinc/24/77/12/479247712.db2.gz SKWIPURMYJIIIR-CYBMUJFWSA-N 1 0 336.436 2.731 20 5 EFBDRO COc1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000574287946 479258916 /nfs/dbraw/zinc/25/89/16/479258916.db2.gz OMTMZHYVAMJCKT-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO C[N@H+](Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000603164119 479286239 /nfs/dbraw/zinc/28/62/39/479286239.db2.gz RVXBMOOKKGOGMK-UHFFFAOYSA-N 1 0 329.404 2.999 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574438777 479287109 /nfs/dbraw/zinc/28/71/09/479287109.db2.gz NQHKGZJNQRIUEE-LSDHHAIUSA-N 1 0 331.416 2.829 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000557559734 479289607 /nfs/dbraw/zinc/28/96/07/479289607.db2.gz SWCUOMQKQUUKNW-ZDUSSCGKSA-N 1 0 335.404 2.832 20 5 EFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000596428640 479291761 /nfs/dbraw/zinc/29/17/61/479291761.db2.gz FZWNAGAIRTTWLP-CYBMUJFWSA-N 1 0 334.420 2.583 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000596435980 479293698 /nfs/dbraw/zinc/29/36/98/479293698.db2.gz GPBYSYATQBHHJK-UHFFFAOYSA-N 1 0 345.378 2.848 20 5 EFBDRO CC(C)(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000574481387 479294624 /nfs/dbraw/zinc/29/46/24/479294624.db2.gz SYOGVXWFORYQFU-OAHLLOKOSA-N 1 0 335.404 2.670 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196126 479307760 /nfs/dbraw/zinc/30/77/60/479307760.db2.gz RSCIHAIKUOADPR-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC[NH+](C)CC1 ZINC000611196116 479307999 /nfs/dbraw/zinc/30/79/99/479307999.db2.gz OANYYOJAMBWQOI-LLVKDONJSA-N 1 0 330.388 2.536 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000574557868 479308162 /nfs/dbraw/zinc/30/81/62/479308162.db2.gz XYWGYEUVYCNWPW-JTQLQIEISA-N 1 0 345.241 2.707 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611197935 479308927 /nfs/dbraw/zinc/30/89/27/479308927.db2.gz YEFZPCDWUCYJNA-GFCCVEGCSA-N 1 0 330.388 2.679 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478127 479311576 /nfs/dbraw/zinc/31/15/76/479311576.db2.gz HHCQVNWUDDPUSG-LBPRGKRZSA-N 1 0 332.404 2.513 20 5 EFBDRO [NH3+]CCCCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230734 479312219 /nfs/dbraw/zinc/31/22/19/479312219.db2.gz GDOUALCRDBUUNO-UHFFFAOYSA-N 1 0 343.309 2.535 20 5 EFBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596481116 479312587 /nfs/dbraw/zinc/31/25/87/479312587.db2.gz XKMOUWHFHGRZCO-ZDUSSCGKSA-N 1 0 332.404 2.513 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596483222 479313432 /nfs/dbraw/zinc/31/34/32/479313432.db2.gz XQSREGHVUBGWFQ-JTQLQIEISA-N 1 0 326.784 2.854 20 5 EFBDRO CC[C@@](C)([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232250 479313716 /nfs/dbraw/zinc/31/37/16/479313716.db2.gz VSSPLRFSZICQEY-CYBMUJFWSA-N 1 0 343.309 2.837 20 5 EFBDRO COCC[N@H+](C)CCCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611227933 479316509 /nfs/dbraw/zinc/31/65/09/479316509.db2.gz ARVRHXVRXPTVEL-UHFFFAOYSA-N 1 0 336.436 2.565 20 5 EFBDRO COCCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000599507510 479316768 /nfs/dbraw/zinc/31/67/68/479316768.db2.gz XQVHEUGHQLHWBX-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596499002 479318201 /nfs/dbraw/zinc/31/82/01/479318201.db2.gz KKZACLNEGCAPRU-CQSZACIVSA-N 1 0 332.404 2.838 20 5 EFBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599514183 479318560 /nfs/dbraw/zinc/31/85/60/479318560.db2.gz DZXICRSCZBEJQM-JHJVBQTASA-N 1 0 344.358 2.558 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000599516070 479319405 /nfs/dbraw/zinc/31/94/05/479319405.db2.gz LZYLVZPWMPLCHY-ZDUSSCGKSA-N 1 0 336.342 2.949 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516730 479319754 /nfs/dbraw/zinc/31/97/54/479319754.db2.gz XQXNYBLOGOROGM-ZDUSSCGKSA-N 1 0 336.342 2.949 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1O ZINC000574633128 479320224 /nfs/dbraw/zinc/32/02/24/479320224.db2.gz DAKKRUYMCYVVAU-KBPBESRZSA-N 1 0 346.387 2.779 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248452 479322667 /nfs/dbraw/zinc/32/26/67/479322667.db2.gz GDCPUWUUPLBTQM-UONOGXRCSA-N 1 0 338.404 2.697 20 5 EFBDRO Cc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611254055 479325231 /nfs/dbraw/zinc/32/52/31/479325231.db2.gz KIYVCFCNMSJEJH-QGZVFWFLSA-N 1 0 333.432 2.590 20 5 EFBDRO C[C@H]1COCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611272479 479332005 /nfs/dbraw/zinc/33/20/05/479332005.db2.gz WUQUUSPGVPOMOC-ZDUSSCGKSA-N 1 0 330.388 2.606 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611271197 479332525 /nfs/dbraw/zinc/33/25/25/479332525.db2.gz WGMOYQNKRYBYQG-AWEZNQCLSA-N 1 0 343.431 2.521 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c21 ZINC000596559473 479339110 /nfs/dbraw/zinc/33/91/10/479339110.db2.gz ZHLKETYVBZZOFL-HNNXBMFYSA-N 1 0 349.394 2.646 20 5 EFBDRO CCOc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611296549 479340123 /nfs/dbraw/zinc/34/01/23/479340123.db2.gz ZBJQKNAWNIIVKG-INIZCTEOSA-N 1 0 349.431 2.685 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593437543 479340307 /nfs/dbraw/zinc/34/03/07/479340307.db2.gz IWXDPIXQSUHHHH-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599585664 479341211 /nfs/dbraw/zinc/34/12/11/479341211.db2.gz GEFUXDJQHDLTDT-SKDRFNHKSA-N 1 0 346.309 2.586 20 5 EFBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000611303426 479343281 /nfs/dbraw/zinc/34/32/81/479343281.db2.gz LQJIHDRJQCJXQI-GOEBONIOSA-N 1 0 334.416 2.847 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCCCC1 ZINC000611336229 479350685 /nfs/dbraw/zinc/35/06/85/479350685.db2.gz CGZPOJJVOQRKOQ-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593468631 479355384 /nfs/dbraw/zinc/35/53/84/479355384.db2.gz GVUNSLBFHKUXPL-OAHLLOKOSA-N 1 0 337.395 2.657 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593468624 479355822 /nfs/dbraw/zinc/35/58/22/479355822.db2.gz GVUNSLBFHKUXPL-HNNXBMFYSA-N 1 0 337.395 2.657 20 5 EFBDRO C[NH+](C)C[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000593477711 479358281 /nfs/dbraw/zinc/35/82/81/479358281.db2.gz IHRJGVYBCQRXTP-LLVKDONJSA-N 1 0 340.836 2.884 20 5 EFBDRO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000611397547 479367955 /nfs/dbraw/zinc/36/79/55/479367955.db2.gz QISZZNZWYHDEKI-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO O=C(CC[N@H+]1CCc2c(O)cccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599649231 479368610 /nfs/dbraw/zinc/36/86/10/479368610.db2.gz YYABVNHPDLYQLP-UHFFFAOYSA-N 1 0 341.367 2.687 20 5 EFBDRO Cc1cnc(N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000593505195 479369625 /nfs/dbraw/zinc/36/96/25/479369625.db2.gz UOGADMDQFRBWGP-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cn1 ZINC000602502225 479370319 /nfs/dbraw/zinc/37/03/19/479370319.db2.gz FTCGKGXJOBUZHO-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000611413617 479371948 /nfs/dbraw/zinc/37/19/48/479371948.db2.gz IILGMQMRIXFYOS-GXTWGEPZSA-N 1 0 325.434 2.836 20 5 EFBDRO O=[N+]([O-])c1ccsc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000611412522 479372301 /nfs/dbraw/zinc/37/23/01/479372301.db2.gz UEPJGTYSUIHZNU-UHFFFAOYSA-N 1 0 325.434 2.595 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602509757 479375226 /nfs/dbraw/zinc/37/52/26/479375226.db2.gz RVYMWWULDBNEAS-QMMMGPOBSA-N 1 0 345.222 2.794 20 5 EFBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602513180 479375748 /nfs/dbraw/zinc/37/57/48/479375748.db2.gz AGSBLIIREBCEIC-OLZOCXBDSA-N 1 0 332.404 2.946 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603408726 479375912 /nfs/dbraw/zinc/37/59/12/479375912.db2.gz OTCCEQSVTWUZOU-UHFFFAOYSA-N 1 0 340.811 2.699 20 5 EFBDRO CC(C)COCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602513570 479376213 /nfs/dbraw/zinc/37/62/13/479376213.db2.gz OMONOLVOERTCCO-UHFFFAOYSA-N 1 0 336.436 2.611 20 5 EFBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513017 479376861 /nfs/dbraw/zinc/37/68/61/479376861.db2.gz ZGBCFSBBNLPUFZ-QMMMGPOBSA-N 1 0 345.222 2.794 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000603414276 479377784 /nfs/dbraw/zinc/37/77/84/479377784.db2.gz PZMXNAATNUSDTD-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000587973640 479378133 /nfs/dbraw/zinc/37/81/33/479378133.db2.gz BGZGHUNZGDJWSR-CYBMUJFWSA-N 1 0 333.388 2.586 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000602519373 479378656 /nfs/dbraw/zinc/37/86/56/479378656.db2.gz ZMEBCLZUQWPGRJ-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000602519907 479379106 /nfs/dbraw/zinc/37/91/06/479379106.db2.gz DGLCEIVNRXJNDJ-UHFFFAOYSA-N 1 0 330.340 2.535 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599673614 479384093 /nfs/dbraw/zinc/38/40/93/479384093.db2.gz RRBODXODOAORTA-CYBMUJFWSA-N 1 0 337.420 2.713 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603431887 479385261 /nfs/dbraw/zinc/38/52/61/479385261.db2.gz HXVPNKRTXHXXAD-ZDUSSCGKSA-N 1 0 334.420 2.700 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCCCC1 ZINC000611462828 479385887 /nfs/dbraw/zinc/38/58/87/479385887.db2.gz CAVLDOHTZQQZOF-UHFFFAOYSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602538823 479387470 /nfs/dbraw/zinc/38/74/70/479387470.db2.gz CMDVKSYENBXWKV-JQWIXIFHSA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535850 479387815 /nfs/dbraw/zinc/38/78/15/479387815.db2.gz ZGLKYRNCHBGSRU-QMMMGPOBSA-N 1 0 336.255 2.849 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541219 479388296 /nfs/dbraw/zinc/38/82/96/479388296.db2.gz OHLRBDFCZMOUOD-PWSUYJOCSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602541172 479388335 /nfs/dbraw/zinc/38/83/35/479388335.db2.gz NKWUZZNXPVANOW-NEPJUHHUSA-N 1 0 345.321 2.503 20 5 EFBDRO COC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000599682507 479388385 /nfs/dbraw/zinc/38/83/85/479388385.db2.gz KVRNIQQDJAQTJH-KBXCAEBGSA-N 1 0 344.415 2.816 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602541175 479389025 /nfs/dbraw/zinc/38/90/25/479389025.db2.gz NKWUZZNXPVANOW-VXGBXAGGSA-N 1 0 345.321 2.503 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588070204 479389359 /nfs/dbraw/zinc/38/93/59/479389359.db2.gz OPKRYDNBTGNHIZ-UHFFFAOYSA-N 1 0 329.404 2.850 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542475 479389383 /nfs/dbraw/zinc/38/93/83/479389383.db2.gz YHYRZVAGQOGCGJ-RYUDHWBXSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)OCCO2 ZINC000611479704 479390301 /nfs/dbraw/zinc/39/03/01/479390301.db2.gz SVQOSIKHYFUNIO-OAHLLOKOSA-N 1 0 348.399 2.757 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)CC2 ZINC000611488839 479392679 /nfs/dbraw/zinc/39/26/79/479392679.db2.gz NYUYRLDWLROLOB-UHFFFAOYSA-N 1 0 349.456 2.774 20 5 EFBDRO CC(C)n1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602553471 479394102 /nfs/dbraw/zinc/39/41/02/479394102.db2.gz USFVBGGKLXHBKJ-UHFFFAOYSA-N 1 0 344.419 2.526 20 5 EFBDRO CC(C)(CCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556361 479395005 /nfs/dbraw/zinc/39/50/05/479395005.db2.gz DMPBMCPRHLCAIB-UHFFFAOYSA-N 1 0 337.239 2.917 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602557369 479395061 /nfs/dbraw/zinc/39/50/61/479395061.db2.gz WLWHAUNYJXXSKV-JTQLQIEISA-N 1 0 337.239 2.915 20 5 EFBDRO CO[C@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602559911 479396462 /nfs/dbraw/zinc/39/64/62/479396462.db2.gz JROFKVOJFHXZMC-GOSISDBHSA-N 1 0 336.432 2.949 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602562609 479397956 /nfs/dbraw/zinc/39/79/56/479397956.db2.gz XHIONINVVVLIJW-MAUKXSAKSA-N 1 0 348.447 2.752 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602562606 479398139 /nfs/dbraw/zinc/39/81/39/479398139.db2.gz XHIONINVVVLIJW-CRAIPNDOSA-N 1 0 348.447 2.752 20 5 EFBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565713 479399373 /nfs/dbraw/zinc/39/93/73/479399373.db2.gz RQINFRAHTBNQPL-XVKPBYJWSA-N 1 0 337.239 2.915 20 5 EFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602564343 479399600 /nfs/dbraw/zinc/39/96/00/479399600.db2.gz MACYAXWZBACSEH-HNNXBMFYSA-N 1 0 346.387 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)nc2c1 ZINC000602566666 479400724 /nfs/dbraw/zinc/40/07/24/479400724.db2.gz AKWRLOGXOWLHOP-BDJLRTHQSA-N 1 0 349.412 2.880 20 5 EFBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCS1 ZINC000602567080 479401008 /nfs/dbraw/zinc/40/10/08/479401008.db2.gz HLFCMWCEQSBSOQ-INIZCTEOSA-N 1 0 336.461 2.834 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1Br ZINC000602576075 479405220 /nfs/dbraw/zinc/40/52/20/479405220.db2.gz LBRGLQCAJUTMJG-ZKCHVHJHSA-N 1 0 335.223 2.812 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602576210 479406297 /nfs/dbraw/zinc/40/62/97/479406297.db2.gz JXNFNCIHKMQSCM-NEPJUHHUSA-N 1 0 345.321 2.618 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOc3ccccc3)CC2)cn1 ZINC000603581903 479408257 /nfs/dbraw/zinc/40/82/57/479408257.db2.gz ASIFOLBLKUZLTC-UHFFFAOYSA-N 1 0 342.399 2.581 20 5 EFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000603586126 479409106 /nfs/dbraw/zinc/40/91/06/479409106.db2.gz OKZCJTLUKMSYIM-QGZVFWFLSA-N 1 0 344.411 2.902 20 5 EFBDRO Cc1cnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000611539956 479409112 /nfs/dbraw/zinc/40/91/12/479409112.db2.gz DDPCMTJCYSYDBP-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000603589861 479409982 /nfs/dbraw/zinc/40/99/82/479409982.db2.gz JUYIUTJPYOCUID-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602583210 479410125 /nfs/dbraw/zinc/41/01/25/479410125.db2.gz UVYRKSRTYNTFCM-JCURWCKSSA-N 1 0 348.447 2.608 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593646273 479412004 /nfs/dbraw/zinc/41/20/04/479412004.db2.gz MSGOEKFMJUXAHA-UHFFFAOYSA-N 1 0 339.411 2.857 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCN2CCCC2)cc1Br ZINC000602588323 479412761 /nfs/dbraw/zinc/41/27/61/479412761.db2.gz VJHIDRBRBZVAQW-UHFFFAOYSA-N 1 0 334.239 2.604 20 5 EFBDRO Cc1[nH+]c(N2CCOCC2)ccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602591627 479413545 /nfs/dbraw/zinc/41/35/45/479413545.db2.gz HDIJQRJKLWRDAB-UHFFFAOYSA-N 1 0 342.399 2.789 20 5 EFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598138 479417704 /nfs/dbraw/zinc/41/77/04/479417704.db2.gz BWCHCAWIERREKS-RISCZKNCSA-N 1 0 339.823 2.828 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000593676653 479420326 /nfs/dbraw/zinc/42/03/26/479420326.db2.gz NMXNXPLITFCWTH-UHFFFAOYSA-N 1 0 334.372 2.569 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000593694980 479425385 /nfs/dbraw/zinc/42/53/85/479425385.db2.gz VMHXEHGOJZLJNS-KVSKMBFKSA-N 1 0 348.443 2.827 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1Br ZINC000602623849 479430690 /nfs/dbraw/zinc/43/06/90/479430690.db2.gz IRWCPTWVCDXPJT-UWVGGRQHSA-N 1 0 335.223 2.812 20 5 EFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000575327346 479430841 /nfs/dbraw/zinc/43/08/41/479430841.db2.gz UDQQVEQNXWUGHS-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611617956 479430963 /nfs/dbraw/zinc/43/09/63/479430963.db2.gz IHEDQEWQGYDDDM-CQSZACIVSA-N 1 0 333.413 2.835 20 5 EFBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000611617967 479431103 /nfs/dbraw/zinc/43/11/03/479431103.db2.gz KMAAXCKTMPGMST-AWEZNQCLSA-N 1 0 333.413 2.835 20 5 EFBDRO CC(C)(NC(=O)NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593719139 479432998 /nfs/dbraw/zinc/43/29/98/479432998.db2.gz BZSXNGQSTMECFS-UHFFFAOYSA-N 1 0 334.420 2.519 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000593718550 479433457 /nfs/dbraw/zinc/43/34/57/479433457.db2.gz IYVVGAGYHCWUSM-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO COc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000603837191 479434522 /nfs/dbraw/zinc/43/45/22/479434522.db2.gz CZCUFLYKWXNPGT-CQSZACIVSA-N 1 0 346.387 2.722 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593724438 479434839 /nfs/dbraw/zinc/43/48/39/479434839.db2.gz WIBRLUBOPSHDSQ-WBMJQRKESA-N 1 0 331.416 2.775 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593724436 479435085 /nfs/dbraw/zinc/43/50/85/479435085.db2.gz WIBRLUBOPSHDSQ-LRDDRELGSA-N 1 0 331.416 2.775 20 5 EFBDRO Cc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000603838172 479436532 /nfs/dbraw/zinc/43/65/32/479436532.db2.gz DCCYKYVTBGPJIF-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1Br ZINC000602647093 479445619 /nfs/dbraw/zinc/44/56/19/479445619.db2.gz SSMBOTJYXYCGMA-HTQZYQBOSA-N 1 0 335.223 2.669 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1Br ZINC000602647096 479445524 /nfs/dbraw/zinc/44/55/24/479445524.db2.gz SSMBOTJYXYCGMA-YUMQZZPRSA-N 1 0 335.223 2.669 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611706579 479451131 /nfs/dbraw/zinc/45/11/31/479451131.db2.gz KNMRPATXUGLTMK-QWHCGFSZSA-N 1 0 329.404 2.847 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611706573 479451844 /nfs/dbraw/zinc/45/18/44/479451844.db2.gz KNMRPATXUGLTMK-CHWSQXEVSA-N 1 0 329.404 2.847 20 5 EFBDRO C[C@@H](CCCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602672688 479465752 /nfs/dbraw/zinc/46/57/52/479465752.db2.gz FHYUZOHMDWTVGQ-QMMMGPOBSA-N 1 0 337.239 2.917 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)o1 ZINC000588984732 479467616 /nfs/dbraw/zinc/46/76/16/479467616.db2.gz QDBYUWBRQGAGIS-UHFFFAOYSA-N 1 0 332.360 2.701 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596881132 479469809 /nfs/dbraw/zinc/46/98/09/479469809.db2.gz ILCMUYZJGGWWCN-CYBMUJFWSA-N 1 0 334.420 2.613 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920183 479470678 /nfs/dbraw/zinc/47/06/78/479470678.db2.gz HQUXWFNYBMPUPN-CZUORRHYSA-N 1 0 334.420 2.604 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](O)C2CCC2)cc1Br ZINC000602680574 479472498 /nfs/dbraw/zinc/47/24/98/479472498.db2.gz DUXNAQZXWHUNAN-JTQLQIEISA-N 1 0 335.223 2.669 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602689375 479476497 /nfs/dbraw/zinc/47/64/97/479476497.db2.gz GFSWOUSIPFJMMJ-SCLBCKFNSA-N 1 0 348.447 2.752 20 5 EFBDRO COC1([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602691308 479477719 /nfs/dbraw/zinc/47/77/19/479477719.db2.gz REIOBXYMVHYOPM-ZDUSSCGKSA-N 1 0 334.420 2.506 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC000602704623 479489146 /nfs/dbraw/zinc/48/91/46/479489146.db2.gz BPMKLFCXOIPZEE-UHFFFAOYSA-N 1 0 326.400 2.922 20 5 EFBDRO [NH3+]CCN(C[C@@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000589191347 479495049 /nfs/dbraw/zinc/49/50/49/479495049.db2.gz IZWBZSPTTNJYAE-AWEZNQCLSA-N 1 0 327.384 2.926 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C3CCCC3)C2)n1 ZINC000618567940 479495507 /nfs/dbraw/zinc/49/55/07/479495507.db2.gz MJLDXJKWEWPWBE-USXIJHARSA-N 1 0 347.463 2.882 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000593884612 479496714 /nfs/dbraw/zinc/49/67/14/479496714.db2.gz UAMGYVDRIVBJBG-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000593884998 479497331 /nfs/dbraw/zinc/49/73/31/479497331.db2.gz ZGAZDJBFVFANML-UHFFFAOYSA-N 1 0 337.445 2.631 20 5 EFBDRO CCC1(O)CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618571500 479497432 /nfs/dbraw/zinc/49/74/32/479497432.db2.gz XHGKYRILZROTDZ-GYMHETDLSA-N 1 0 336.436 2.948 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000575907890 479499325 /nfs/dbraw/zinc/49/93/25/479499325.db2.gz VQDCMEBWJWQMGN-GSPCDJLXSA-N 1 0 343.427 2.942 20 5 EFBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000602717584 479501400 /nfs/dbraw/zinc/50/14/00/479501400.db2.gz HMWPHJKEJBRESV-KRWDZBQOSA-N 1 0 348.447 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCN3CC(F)F)nc2c1 ZINC000602719390 479502139 /nfs/dbraw/zinc/50/21/39/479502139.db2.gz CSZUZPARYCENTO-NSHDSACASA-N 1 0 340.330 2.555 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000593912142 479505797 /nfs/dbraw/zinc/50/57/97/479505797.db2.gz BEUPUIFWAXXUNW-SJCJKPOMSA-N 1 0 329.356 2.542 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593911093 479506340 /nfs/dbraw/zinc/50/63/40/479506340.db2.gz CVXRJMGWZKCNPF-KSSFIOAISA-N 1 0 331.416 2.919 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593915303 479507323 /nfs/dbraw/zinc/50/73/23/479507323.db2.gz IJKXJFTVLXHPHE-NHYWBVRUSA-N 1 0 339.823 2.767 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915339 479507560 /nfs/dbraw/zinc/50/75/60/479507560.db2.gz JAWVWBZVLWVVML-AAEUAGOBSA-N 1 0 337.445 2.906 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593916838 479508381 /nfs/dbraw/zinc/50/83/81/479508381.db2.gz SJBWSZKGZYBVEI-BLLLJJGKSA-N 1 0 346.431 2.759 20 5 EFBDRO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000593916251 479508625 /nfs/dbraw/zinc/50/86/25/479508625.db2.gz OIWRZZNDFGWGNC-UHFFFAOYSA-N 1 0 345.374 2.787 20 5 EFBDRO C[NH2+]Cc1ccccc1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000593931995 479511658 /nfs/dbraw/zinc/51/16/58/479511658.db2.gz SAMADOJSBSSXFU-UHFFFAOYSA-N 1 0 330.388 2.530 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000589344825 479516261 /nfs/dbraw/zinc/51/62/61/479516261.db2.gz MRZMJYYPCJVRPY-CYBMUJFWSA-N 1 0 327.384 2.782 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1=O ZINC000575994738 479518950 /nfs/dbraw/zinc/51/89/50/479518950.db2.gz UZUXVJODPKSITR-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611939818 479527380 /nfs/dbraw/zinc/52/73/80/479527380.db2.gz OYDZRQBXZKOTKQ-ZDUSSCGKSA-N 1 0 340.383 2.538 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611938857 479527550 /nfs/dbraw/zinc/52/75/50/479527550.db2.gz LBQAWKFSPDWDIG-DYVFJYSZSA-N 1 0 340.383 2.754 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939336 479527655 /nfs/dbraw/zinc/52/76/55/479527655.db2.gz INMFVINJHRRLHG-STQMWFEESA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1nc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000600123915 479529164 /nfs/dbraw/zinc/52/91/64/479529164.db2.gz KFEWTHJCSSBOSQ-UHFFFAOYSA-N 1 0 330.388 2.978 20 5 EFBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508525 479531633 /nfs/dbraw/zinc/53/16/33/479531633.db2.gz DAAIJDAEARFQGD-UHFFFAOYSA-N 1 0 343.431 2.924 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000602764053 479535189 /nfs/dbraw/zinc/53/51/89/479535189.db2.gz ACOHDGWWFYUECS-QGZVFWFLSA-N 1 0 349.479 2.544 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCn1cncn1 ZINC000600133532 479536437 /nfs/dbraw/zinc/53/64/37/479536437.db2.gz URYMXBDSVZPFGC-GOEBONIOSA-N 1 0 329.404 2.577 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000602766597 479536611 /nfs/dbraw/zinc/53/66/11/479536611.db2.gz NQILSCDYYDOQGN-UHFFFAOYSA-N 1 0 328.372 2.595 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000602773455 479543636 /nfs/dbraw/zinc/54/36/36/479543636.db2.gz TWKYYIIXLRKJSC-MRXNPFEDSA-N 1 0 330.388 2.563 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000604561568 479545017 /nfs/dbraw/zinc/54/50/17/479545017.db2.gz GPVNUQYTUSDXKH-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000614934753 479551992 /nfs/dbraw/zinc/55/19/92/479551992.db2.gz URQUDZYXQVGSBT-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687940 479560026 /nfs/dbraw/zinc/56/00/26/479560026.db2.gz ZBDCVLYZLOGOCH-ZDUSSCGKSA-N 1 0 336.411 2.623 20 5 EFBDRO CN1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1=O ZINC000600179253 479566398 /nfs/dbraw/zinc/56/63/98/479566398.db2.gz XCANYPZSUVIHKI-CYBMUJFWSA-N 1 0 343.383 2.907 20 5 EFBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000594047506 479566642 /nfs/dbraw/zinc/56/66/42/479566642.db2.gz XQHVMBXXDNWUTA-AWEZNQCLSA-N 1 0 348.403 2.927 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000594050099 479567712 /nfs/dbraw/zinc/56/77/12/479567712.db2.gz AGIINPXTMKEEPE-UHFFFAOYSA-N 1 0 334.376 2.635 20 5 EFBDRO COCc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602812884 479569877 /nfs/dbraw/zinc/56/98/77/479569877.db2.gz SGZLVVDHISNDHO-CQSZACIVSA-N 1 0 334.376 2.676 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594056129 479570723 /nfs/dbraw/zinc/57/07/23/479570723.db2.gz RCBQSDSWSGSVFF-ZFWWWQNUSA-N 1 0 348.403 2.742 20 5 EFBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602817994 479573336 /nfs/dbraw/zinc/57/33/36/479573336.db2.gz MUGJAHCKKMPWOK-AWEZNQCLSA-N 1 0 338.795 2.730 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCCCC2 ZINC000602820377 479575251 /nfs/dbraw/zinc/57/52/51/479575251.db2.gz KCIRWIOLTSWIPQ-CABCVRRESA-N 1 0 336.436 2.817 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCO[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000602822095 479575870 /nfs/dbraw/zinc/57/58/70/479575870.db2.gz RKQOSIKULOUXMP-LSDHHAIUSA-N 1 0 349.431 2.541 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCc2c(Cl)cc(F)cc2C1 ZINC000602833993 479583273 /nfs/dbraw/zinc/58/32/73/479583273.db2.gz XUMUGWHOIXHHJP-UHFFFAOYSA-N 1 0 338.770 2.951 20 5 EFBDRO COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000602845871 479590899 /nfs/dbraw/zinc/59/08/99/479590899.db2.gz MIPRJHPKYQMNKC-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO O=C1[C@@H]([NH+]2CCC(C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590008039 479592173 /nfs/dbraw/zinc/59/21/73/479592173.db2.gz ASLXXAYIMGIVLL-KRWDZBQOSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)ccnc21 ZINC000590083687 479601965 /nfs/dbraw/zinc/60/19/65/479601965.db2.gz HRGSQOXSIAIRON-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000612201778 479609944 /nfs/dbraw/zinc/60/99/44/479609944.db2.gz XUSPMJNWHLFQQL-STQMWFEESA-N 1 0 336.388 2.661 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCC[C@@H]21 ZINC000590204432 479617710 /nfs/dbraw/zinc/61/77/10/479617710.db2.gz LBRBZAOLDQYNAU-JKSUJKDBSA-N 1 0 343.427 2.994 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578858668 479620114 /nfs/dbraw/zinc/62/01/14/479620114.db2.gz HLQURVYAOIGBPC-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594195426 479626657 /nfs/dbraw/zinc/62/66/57/479626657.db2.gz GYDAQJXKKPFOHM-JQFCIGGWSA-N 1 0 331.416 2.831 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594195695 479626903 /nfs/dbraw/zinc/62/69/03/479626903.db2.gz HIDXNBQNMIITGJ-LSDHHAIUSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594195694 479627063 /nfs/dbraw/zinc/62/70/63/479627063.db2.gz HIDXNBQNMIITGJ-HUUCEWRRSA-N 1 0 337.807 2.995 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195707 479627543 /nfs/dbraw/zinc/62/75/43/479627543.db2.gz HQOQGOGFPNPOMM-CVEARBPZSA-N 1 0 331.416 2.958 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197843 479628366 /nfs/dbraw/zinc/62/83/66/479628366.db2.gz QPTWHWJLZMPWJC-HOTGVXAUSA-N 1 0 331.416 2.904 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594198983 479629449 /nfs/dbraw/zinc/62/94/49/479629449.db2.gz WZMCEDVWSDVWQJ-STQMWFEESA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594198982 479629624 /nfs/dbraw/zinc/62/96/24/479629624.db2.gz WZMCEDVWSDVWQJ-QWHCGFSZSA-N 1 0 337.807 2.995 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594201735 479630251 /nfs/dbraw/zinc/63/02/51/479630251.db2.gz QOIFEEXYDVHFAX-GJZGRUSLSA-N 1 0 347.415 2.740 20 5 EFBDRO CC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000602922690 479632836 /nfs/dbraw/zinc/63/28/36/479632836.db2.gz BTGIVBUIMPLDGW-QGZVFWFLSA-N 1 0 333.363 2.811 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C3([C@@H](C)O)CC3)o2)c([N+](=O)[O-])c1 ZINC000597234415 479635550 /nfs/dbraw/zinc/63/55/50/479635550.db2.gz KXKLPSUNCKMQIV-LLVKDONJSA-N 1 0 332.356 2.866 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000615240679 479636068 /nfs/dbraw/zinc/63/60/68/479636068.db2.gz OOPYVRGLFMDPNG-OAHLLOKOSA-N 1 0 331.416 2.932 20 5 EFBDRO CCOC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000597236894 479636855 /nfs/dbraw/zinc/63/68/55/479636855.db2.gz YJESHDXNDPTNMD-ALCCZGGFSA-N 1 0 348.399 2.700 20 5 EFBDRO COc1ccc(OCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578972486 479641193 /nfs/dbraw/zinc/64/11/93/479641193.db2.gz WDSJXIGSKDHKFX-HZPDHXFCSA-N 1 0 349.431 2.589 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000602955296 479650182 /nfs/dbraw/zinc/65/01/82/479650182.db2.gz IXMBGBUDSPGRQW-SNVBAGLBSA-N 1 0 334.401 2.957 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984302 479658873 /nfs/dbraw/zinc/65/88/73/479658873.db2.gz ZSXUGZNJZQGOHQ-CXAGYDPISA-N 1 0 334.416 2.960 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC(=O)NC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618987672 479661122 /nfs/dbraw/zinc/66/11/22/479661122.db2.gz YJHFPMPUSMPBPK-INIZCTEOSA-N 1 0 331.416 2.966 20 5 EFBDRO Cc1ccc([C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000590594791 479665245 /nfs/dbraw/zinc/66/52/45/479665245.db2.gz RHJNJHXJUYRTGB-CQSZACIVSA-N 1 0 335.448 2.789 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)OCCO2 ZINC000612402155 479665791 /nfs/dbraw/zinc/66/57/91/479665791.db2.gz QFXOKHKNBJWEBZ-AWEZNQCLSA-N 1 0 348.399 2.615 20 5 EFBDRO COCC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000590602139 479667639 /nfs/dbraw/zinc/66/76/39/479667639.db2.gz VKRGNAUYXKAPLR-UHFFFAOYSA-N 1 0 347.371 2.535 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000590601446 479668263 /nfs/dbraw/zinc/66/82/63/479668263.db2.gz AMRXPKBTTUUPRP-INIZCTEOSA-N 1 0 344.415 2.963 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000612446004 479674387 /nfs/dbraw/zinc/67/43/87/479674387.db2.gz KMCNPIZIUVPUEK-CYBMUJFWSA-N 1 0 329.404 2.849 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000612449300 479674653 /nfs/dbraw/zinc/67/46/53/479674653.db2.gz RHRYFXKBNRVXGX-GFCCVEGCSA-N 1 0 329.404 2.705 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612591651 479703056 /nfs/dbraw/zinc/70/30/56/479703056.db2.gz LTSKTBOPCWTNOH-OLZOCXBDSA-N 1 0 337.395 2.826 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000612850101 479780361 /nfs/dbraw/zinc/78/03/61/479780361.db2.gz JZFAMLARGFGPNH-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO COc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000619437269 479790069 /nfs/dbraw/zinc/79/00/69/479790069.db2.gz YOCDPDWCFDQFCH-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCC(=O)c1ccc(NCCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000619479062 479806418 /nfs/dbraw/zinc/80/64/18/479806418.db2.gz HUKXRGPMCXRRSH-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619482998 479807745 /nfs/dbraw/zinc/80/77/45/479807745.db2.gz CKZBTQWHLFQTHM-INIZCTEOSA-N 1 0 343.431 2.830 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4c(O)cccc34)CC2)n1 ZINC000619498470 479812909 /nfs/dbraw/zinc/81/29/09/479812909.db2.gz JRKBAIYDMVMGDN-UHFFFAOYSA-N 1 0 339.355 2.887 20 5 EFBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000619527028 479818766 /nfs/dbraw/zinc/81/87/66/479818766.db2.gz BNFPQRKIERBPEP-GFCCVEGCSA-N 1 0 330.363 2.936 20 5 EFBDRO CCOC1CC(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000616094555 479824612 /nfs/dbraw/zinc/82/46/12/479824612.db2.gz CKLPUXKBZYWMML-UHFFFAOYSA-N 1 0 336.388 2.661 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619578697 479834427 /nfs/dbraw/zinc/83/44/27/479834427.db2.gz NJAQBNUBFZAYCS-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000619583435 479835714 /nfs/dbraw/zinc/83/57/14/479835714.db2.gz RAQADGQBDFOCPO-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CC(C)(C)C ZINC000609483539 480165090 /nfs/dbraw/zinc/16/50/90/480165090.db2.gz XSXFTFIHJPMMDH-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@H](c3ccco3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609539899 480172689 /nfs/dbraw/zinc/17/26/89/480172689.db2.gz HEUNNJYUAUCRRD-XJKSGUPXSA-N 1 0 341.367 2.783 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000609560681 480175455 /nfs/dbraw/zinc/17/54/55/480175455.db2.gz MGNJDUDVODHARA-CYBMUJFWSA-N 1 0 346.431 2.629 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583455 480181387 /nfs/dbraw/zinc/18/13/87/480181387.db2.gz JSJBEFCXGDKKAR-GFCCVEGCSA-N 1 0 346.431 2.629 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000609631687 480192252 /nfs/dbraw/zinc/19/22/52/480192252.db2.gz NWMCMDIVWMIZBQ-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000609848396 480212080 /nfs/dbraw/zinc/21/20/80/480212080.db2.gz BAWPKRQQDXVVEC-QGZVFWFLSA-N 1 0 337.383 2.675 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848915 480212107 /nfs/dbraw/zinc/21/21/07/480212107.db2.gz OMATZTMYDZEYCQ-OLZOCXBDSA-N 1 0 346.387 2.800 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609877096 480215072 /nfs/dbraw/zinc/21/50/72/480215072.db2.gz JQSMOBPEZJIPNE-CYBMUJFWSA-N 1 0 331.372 2.945 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609878581 480216896 /nfs/dbraw/zinc/21/68/96/480216896.db2.gz XWWASVKXCDNIPM-ZDUSSCGKSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H]1CCCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614191515 480220622 /nfs/dbraw/zinc/22/06/22/480220622.db2.gz HDAMIGQVZQGRIK-XJKSGUPXSA-N 1 0 340.445 2.927 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609995469 480225656 /nfs/dbraw/zinc/22/56/56/480225656.db2.gz FKUKUEFUEFCUDN-OAHLLOKOSA-N 1 0 346.431 2.727 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610023881 480230263 /nfs/dbraw/zinc/23/02/63/480230263.db2.gz OZFHVENGLKTCON-STQMWFEESA-N 1 0 334.420 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000614261281 480248560 /nfs/dbraw/zinc/24/85/60/480248560.db2.gz YZDGHAOIYAKJMI-OAHLLOKOSA-N 1 0 343.431 2.921 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000610285203 480271826 /nfs/dbraw/zinc/27/18/26/480271826.db2.gz LOUZJEMLUCQQLT-INIZCTEOSA-N 1 0 326.400 2.948 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1[N+](=O)[O-] ZINC000610285204 480272368 /nfs/dbraw/zinc/27/23/68/480272368.db2.gz LOUZJEMLUCQQLT-MRXNPFEDSA-N 1 0 326.400 2.948 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1[N+](=O)[O-] ZINC000610342231 480283476 /nfs/dbraw/zinc/28/34/76/480283476.db2.gz ALKLNQLSDNIRLK-KBPBESRZSA-N 1 0 327.388 2.704 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610391578 480295997 /nfs/dbraw/zinc/29/59/97/480295997.db2.gz DGPPAXSXEHOGAP-CVEARBPZSA-N 1 0 333.432 2.843 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724496 480337735 /nfs/dbraw/zinc/33/77/35/480337735.db2.gz FNGKHHHPSFBLSW-PBHICJAKSA-N 1 0 331.416 2.785 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000610575891 480340684 /nfs/dbraw/zinc/34/06/84/480340684.db2.gz GIKMLYHXTFEPSI-UHFFFAOYSA-N 1 0 334.420 2.684 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000610575757 480341002 /nfs/dbraw/zinc/34/10/02/480341002.db2.gz MGDKXCKIAFHPJU-CYBMUJFWSA-N 1 0 332.404 2.766 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610719287 480373806 /nfs/dbraw/zinc/37/38/06/480373806.db2.gz PKTOBLVMZZUZFV-ZFWWWQNUSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618306373 480613538 /nfs/dbraw/zinc/61/35/38/480613538.db2.gz AKRAMMUHMJOGPM-YVEFUNNKSA-N 1 0 340.383 2.725 20 5 EFBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000184220513 533821456 /nfs/dbraw/zinc/82/14/56/533821456.db2.gz JFZTWCBKGOTGLE-CYBMUJFWSA-N 1 0 337.395 2.660 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000186868301 533943466 /nfs/dbraw/zinc/94/34/66/533943466.db2.gz IHNJSXUKCNAGIP-CYBMUJFWSA-N 1 0 328.434 2.769 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391302 533945258 /nfs/dbraw/zinc/94/52/58/533945258.db2.gz QWZWPBHSMZWDLP-NEPJUHHUSA-N 1 0 345.403 2.623 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000191371458 534055684 /nfs/dbraw/zinc/05/56/84/534055684.db2.gz AJSFRTHGSQEEIQ-CQSZACIVSA-N 1 0 330.388 2.690 20 5 EFBDRO CN(C)[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912814 517915770 /nfs/dbraw/zinc/91/57/70/517915770.db2.gz IEKCZOHFNSXURE-SJLPKXTDSA-N 1 0 349.500 2.943 20 5 EFBDRO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000351455090 534326297 /nfs/dbraw/zinc/32/62/97/534326297.db2.gz ULZCCMATTVIGSB-UHFFFAOYSA-N 1 0 345.443 2.863 20 5 EFBDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000119873948 519761642 /nfs/dbraw/zinc/76/16/42/519761642.db2.gz TXJJYVQVOSTPCJ-INIZCTEOSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157009723 519826534 /nfs/dbraw/zinc/82/65/34/519826534.db2.gz AKSOBCQEWNQOTP-XJKSGUPXSA-N 1 0 334.420 2.637 20 5 EFBDRO CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000263263430 520487602 /nfs/dbraw/zinc/48/76/02/520487602.db2.gz UGMYOVIKCZSVSR-UHFFFAOYSA-N 1 0 332.429 2.902 20 5 EFBDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184726516 520855624 /nfs/dbraw/zinc/85/56/24/520855624.db2.gz UHBXOIULYFNWKZ-LLVKDONJSA-N 1 0 342.827 2.778 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067272584 520911759 /nfs/dbraw/zinc/91/17/59/520911759.db2.gz PXFUVWALDQFSKI-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165903327 521427870 /nfs/dbraw/zinc/42/78/70/521427870.db2.gz ZUOBZZDKTJERRU-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077377604 521558154 /nfs/dbraw/zinc/55/81/54/521558154.db2.gz BDTOMZQHYDQBRJ-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155357509 521612072 /nfs/dbraw/zinc/61/20/72/521612072.db2.gz LZVQRVDPCPWAPQ-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000076225336 521647237 /nfs/dbraw/zinc/64/72/37/521647237.db2.gz XSMFGYNYHNTQRM-UHFFFAOYSA-N 1 0 347.419 2.713 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117791462 521654409 /nfs/dbraw/zinc/65/44/09/521654409.db2.gz NEDLZWUGDTWZDC-UHFFFAOYSA-N 1 0 327.812 2.591 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000245435576 521707781 /nfs/dbraw/zinc/70/77/81/521707781.db2.gz QMYYHGMTTVDRHM-LSDHHAIUSA-N 1 0 336.436 2.847 20 5 EFBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072837673 521733137 /nfs/dbraw/zinc/73/31/37/521733137.db2.gz JPOGONFEMULYRM-KBPBESRZSA-N 1 0 337.445 2.800 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000154070494 521750980 /nfs/dbraw/zinc/75/09/80/521750980.db2.gz KPHBIRDTFBSUHR-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000155173486 521810151 /nfs/dbraw/zinc/81/01/51/521810151.db2.gz KJKZWWAUBPJGOE-OAHLLOKOSA-N 1 0 339.411 2.759 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000191929255 534594434 /nfs/dbraw/zinc/59/44/34/534594434.db2.gz GXHOLFJVHWLNSM-QAPCUYQASA-N 1 0 341.367 2.653 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091098736 522602146 /nfs/dbraw/zinc/60/21/46/522602146.db2.gz DWOWNTBQKZONPC-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000184721688 522627391 /nfs/dbraw/zinc/62/73/91/522627391.db2.gz SKMFJRXPDBHNGO-INIZCTEOSA-N 1 0 333.432 2.622 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245906856 522975710 /nfs/dbraw/zinc/97/57/10/522975710.db2.gz LVGWWOAKGNLBRM-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccnc1 ZINC000181629569 522975912 /nfs/dbraw/zinc/97/59/12/522975912.db2.gz RXRBAUSAWGEHSY-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000073649614 523318233 /nfs/dbraw/zinc/31/82/33/523318233.db2.gz ATFMHTCHIHFTKT-SFHVURJKSA-N 1 0 330.384 2.604 20 5 EFBDRO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000073617076 523773911 /nfs/dbraw/zinc/77/39/11/523773911.db2.gz ORUXHIKMMMOGDA-UHFFFAOYSA-N 1 0 334.376 2.749 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154677265 523854184 /nfs/dbraw/zinc/85/41/84/523854184.db2.gz RFYSHHGGFKOPCH-NHYWBVRUSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000157156806 523973625 /nfs/dbraw/zinc/97/36/25/523973625.db2.gz VFVCTYQZYAQAFK-ZIAGYGMSSA-N 1 0 349.456 2.630 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000153353304 524183309 /nfs/dbraw/zinc/18/33/09/524183309.db2.gz SYUVZZXFVNNRNE-WMLDXEAASA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000060410856 524223519 /nfs/dbraw/zinc/22/35/19/524223519.db2.gz RMCVNOKOLMJWEP-KSSFIOAISA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194928468 524448418 /nfs/dbraw/zinc/44/84/18/524448418.db2.gz GKWUIMCUTDCFAQ-CQSZACIVSA-N 1 0 345.403 2.732 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182071900 524574648 /nfs/dbraw/zinc/57/46/48/524574648.db2.gz DSOOWXCOZDVFSJ-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO Cc1cccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866836 524742076 /nfs/dbraw/zinc/74/20/76/524742076.db2.gz TVZBANOMLAOLGG-HNNXBMFYSA-N 1 0 342.399 2.863 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137457300 524802631 /nfs/dbraw/zinc/80/26/31/524802631.db2.gz NQYBJGQNILBBBE-GOEBONIOSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C[NH2+]1 ZINC000237386192 524883869 /nfs/dbraw/zinc/88/38/69/524883869.db2.gz ANJZLDGKTZWMJI-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055389368 524883842 /nfs/dbraw/zinc/88/38/42/524883842.db2.gz GNLNPILRIAJKQD-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157889125 524992887 /nfs/dbraw/zinc/99/28/87/524992887.db2.gz KPTDUNHFJXRVQK-SNVBAGLBSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263041208 525283251 /nfs/dbraw/zinc/28/32/51/525283251.db2.gz SVNMFBMFECNRGF-DOMZBBRYSA-N 1 0 325.796 2.772 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000181294233 525306507 /nfs/dbraw/zinc/30/65/07/525306507.db2.gz VLQYBKVRBQGWCI-JTQLQIEISA-N 1 0 334.763 2.933 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261606688 525409029 /nfs/dbraw/zinc/40/90/29/525409029.db2.gz ACCGYUKEHGCUGQ-GHMZBOCLSA-N 1 0 346.412 2.528 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177420939 525454797 /nfs/dbraw/zinc/45/47/97/525454797.db2.gz HHLOQZMJDXULPD-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150789463 525454860 /nfs/dbraw/zinc/45/48/60/525454860.db2.gz CMAHVXNBPZBSPM-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000194719672 525467613 /nfs/dbraw/zinc/46/76/13/525467613.db2.gz FJBDAEGMMDQYMN-RYUDHWBXSA-N 1 0 344.371 2.676 20 5 EFBDRO Cc1c(Br)c(NC[C@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000230581631 525523801 /nfs/dbraw/zinc/52/38/01/525523801.db2.gz YFMXZKZTHQUXDX-QMMMGPOBSA-N 1 0 343.225 2.955 20 5 EFBDRO CC(=O)c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000264354060 534868297 /nfs/dbraw/zinc/86/82/97/534868297.db2.gz ZZBGLGCWSIYTMR-UHFFFAOYSA-N 1 0 347.415 2.854 20 5 EFBDRO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121413090 525694118 /nfs/dbraw/zinc/69/41/18/525694118.db2.gz HPYDVXCYZHRJOV-OAHLLOKOSA-N 1 0 331.416 2.579 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000181116133 525891069 /nfs/dbraw/zinc/89/10/69/525891069.db2.gz NTINFOMLAYFASF-IYXRBSQSSA-N 1 0 340.445 2.910 20 5 EFBDRO CSc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000193288848 525964464 /nfs/dbraw/zinc/96/44/64/525964464.db2.gz VRXKQJFSWCAKGA-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000343609695 534909086 /nfs/dbraw/zinc/90/90/86/534909086.db2.gz OIPPPCWVBVJPQP-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343631408 534908594 /nfs/dbraw/zinc/90/85/94/534908594.db2.gz BJAUPPIGBHMSQS-AWEZNQCLSA-N 1 0 331.372 2.945 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000343556997 534910416 /nfs/dbraw/zinc/91/04/16/534910416.db2.gz SNIIVTNQPZOQEI-OCCSQVGLSA-N 1 0 337.395 2.828 20 5 EFBDRO Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000060015784 526195829 /nfs/dbraw/zinc/19/58/29/526195829.db2.gz UZCXJKGHUJTBSY-GUTXKFCHSA-N 1 0 333.432 2.999 20 5 EFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000193774393 526613767 /nfs/dbraw/zinc/61/37/67/526613767.db2.gz XRSMLUXBTVJCGO-CQSZACIVSA-N 1 0 345.424 2.908 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363369203 526680775 /nfs/dbraw/zinc/68/07/75/526680775.db2.gz IATQZYNKZCUFMY-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342744355 536496907 /nfs/dbraw/zinc/49/69/07/536496907.db2.gz BIHHJSJYWQGAPO-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000246231253 526996311 /nfs/dbraw/zinc/99/63/11/526996311.db2.gz GFJZDEQRIFAGAZ-HOCLYGCPSA-N 1 0 329.400 2.570 20 5 EFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1c(F)cccc1F ZINC000180222435 527028465 /nfs/dbraw/zinc/02/84/65/527028465.db2.gz FMWFPFKRFRJAHF-LBPRGKRZSA-N 1 0 347.321 2.768 20 5 EFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1c(F)cccc1F ZINC000180215770 527029678 /nfs/dbraw/zinc/02/96/78/527029678.db2.gz IFIRGKRPBRLWHV-LBPRGKRZSA-N 1 0 347.321 2.768 20 5 EFBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158067254 527214475 /nfs/dbraw/zinc/21/44/75/527214475.db2.gz YLLILKCJCOYUPZ-AAEUAGOBSA-N 1 0 346.412 2.576 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293567 527272454 /nfs/dbraw/zinc/27/24/54/527272454.db2.gz SRSXCMIZTRSGCG-MRXNPFEDSA-N 1 0 331.416 2.518 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NCCC[NH+]1CCCC1 ZINC000062075867 527328134 /nfs/dbraw/zinc/32/81/34/527328134.db2.gz JMOTVGUJYHTPLY-UHFFFAOYSA-N 1 0 329.198 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)o2)cc1 ZINC000152888060 527344039 /nfs/dbraw/zinc/34/40/39/527344039.db2.gz FQLOZEFACZILAK-HIFRSBDPSA-N 1 0 344.371 2.646 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000090004360 527444059 /nfs/dbraw/zinc/44/40/59/527444059.db2.gz DKLZLPYHEYFPQH-CYBMUJFWSA-N 1 0 332.379 2.922 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000193367997 527501907 /nfs/dbraw/zinc/50/19/07/527501907.db2.gz ASSVCIIVTLNDCH-UHFFFAOYSA-N 1 0 334.420 2.624 20 5 EFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178478227 527542828 /nfs/dbraw/zinc/54/28/28/527542828.db2.gz JWXBCPNEBLPXPZ-FOSCPWQOSA-N 1 0 331.397 2.822 20 5 EFBDRO Cc1nn(C)c(Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000078727580 527679297 /nfs/dbraw/zinc/67/92/97/527679297.db2.gz DLCFJJNGUDSODK-UHFFFAOYSA-N 1 0 347.444 2.929 20 5 EFBDRO CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163305410 527787911 /nfs/dbraw/zinc/78/79/11/527787911.db2.gz SQSCDOZKKIPSOL-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184230835 527819691 /nfs/dbraw/zinc/81/96/91/527819691.db2.gz HKAHICKYWPVINU-LBPRGKRZSA-N 1 0 325.384 2.516 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174465722 527834160 /nfs/dbraw/zinc/83/41/60/527834160.db2.gz PHCQKYFEPCSUSB-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184233044 527899031 /nfs/dbraw/zinc/89/90/31/527899031.db2.gz UGRTUJPZWNWUHT-KGLIPLIRSA-N 1 0 337.395 2.801 20 5 EFBDRO CC1(CO)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000186960991 528000404 /nfs/dbraw/zinc/00/04/04/528000404.db2.gz CNMYWQDATAWRPU-UHFFFAOYSA-N 1 0 345.399 2.887 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000154118598 528596448 /nfs/dbraw/zinc/59/64/48/528596448.db2.gz GMMVRNHUJXHEHW-IAQYHMDHSA-N 1 0 326.418 2.512 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154220272 528605591 /nfs/dbraw/zinc/60/55/91/528605591.db2.gz WPHVRXRDUJTXGI-DZGCQCFKSA-N 1 0 338.404 2.840 20 5 EFBDRO CCCn1ccnc1CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191520267 528864477 /nfs/dbraw/zinc/86/44/77/528864477.db2.gz IKWBUMHXKLZPPM-KRWDZBQOSA-N 1 0 346.431 2.799 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000412318251 534941019 /nfs/dbraw/zinc/94/10/19/534941019.db2.gz QBFMHQKBXZNSFJ-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000412248099 534946695 /nfs/dbraw/zinc/94/66/95/534946695.db2.gz KUASJZUTFBWFEH-CJNGLKHVSA-N 1 0 347.415 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412134056 534951035 /nfs/dbraw/zinc/95/10/35/534951035.db2.gz LGWUKKMTNYQVDO-JSGCOSHPSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352084829 535010614 /nfs/dbraw/zinc/01/06/14/535010614.db2.gz PEJZNMOMFZUCLY-UHFFFAOYSA-N 1 0 345.443 2.959 20 5 EFBDRO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353041901 535012233 /nfs/dbraw/zinc/01/22/33/535012233.db2.gz AOJOWBYEIJVRFR-KRWDZBQOSA-N 1 0 345.443 2.863 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418460536 535025938 /nfs/dbraw/zinc/02/59/38/535025938.db2.gz HPNUAANZVBRBQH-CQSZACIVSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000355861039 535060349 /nfs/dbraw/zinc/06/03/49/535060349.db2.gz NJIWMMZGRPRRRI-UHFFFAOYSA-N 1 0 325.384 2.925 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OCc1ccccc1 ZINC000346213701 535071456 /nfs/dbraw/zinc/07/14/56/535071456.db2.gz YSZGPZGCOGUEHR-SJORKVTESA-N 1 0 344.415 2.765 20 5 EFBDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000346213698 535092870 /nfs/dbraw/zinc/09/28/70/535092870.db2.gz YSZGPZGCOGUEHR-DLBZAZTESA-N 1 0 344.415 2.765 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418797072 535093906 /nfs/dbraw/zinc/09/39/06/535093906.db2.gz UOTPCLLKKYVPRL-GJZGRUSLSA-N 1 0 334.420 2.642 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418423738 535184806 /nfs/dbraw/zinc/18/48/06/535184806.db2.gz FSHKCZLRBPHCHV-UHFFFAOYSA-N 1 0 334.420 2.786 20 5 EFBDRO CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000236778642 535200700 /nfs/dbraw/zinc/20/07/00/535200700.db2.gz XZUCXYXZZSLMKQ-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000236802602 535211281 /nfs/dbraw/zinc/21/12/81/535211281.db2.gz QJCWTOBHNPSJJT-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415429037 535226419 /nfs/dbraw/zinc/22/64/19/535226419.db2.gz AQGBFFHYWHLIJH-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418615705 535226721 /nfs/dbraw/zinc/22/67/21/535226721.db2.gz HKOCOWTWHSAZMZ-OAHLLOKOSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418422014 535227727 /nfs/dbraw/zinc/22/77/27/535227727.db2.gz IFYHZPNTZMVKIX-WFASDCNBSA-N 1 0 334.420 2.647 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)c1 ZINC000344426510 535427685 /nfs/dbraw/zinc/42/76/85/535427685.db2.gz IWPIJIPJEJHOAY-BETUJISGSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000338574758 535428566 /nfs/dbraw/zinc/42/85/66/535428566.db2.gz ZGBCRDHKOQSKJM-GFCCVEGCSA-N 1 0 337.420 2.700 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346414178 535487742 /nfs/dbraw/zinc/48/77/42/535487742.db2.gz GPWHCNUGFYSSAD-CYBMUJFWSA-N 1 0 330.388 2.680 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266235701 535526563 /nfs/dbraw/zinc/52/65/63/535526563.db2.gz VMVFVVOCNYVSBT-GJZGRUSLSA-N 1 0 336.436 2.847 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951289 535550782 /nfs/dbraw/zinc/55/07/82/535550782.db2.gz POQSBAVIRUVNCK-ZDUSSCGKSA-N 1 0 342.827 2.580 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000350736625 535590818 /nfs/dbraw/zinc/59/08/18/535590818.db2.gz LHBDRGPVEQQXDB-AWEZNQCLSA-N 1 0 348.447 2.973 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266310774 535662173 /nfs/dbraw/zinc/66/21/73/535662173.db2.gz NCCNOPRILGCHRJ-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000359746151 535764302 /nfs/dbraw/zinc/76/43/02/535764302.db2.gz HRSMGGSLYKCWKM-UHFFFAOYSA-N 1 0 330.388 2.744 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000349070342 535862263 /nfs/dbraw/zinc/86/22/63/535862263.db2.gz BWQLHOGVDOKFPG-OAHLLOKOSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419321819 535896086 /nfs/dbraw/zinc/89/60/86/535896086.db2.gz ROTOPSFQKIBKRO-STQMWFEESA-N 1 0 335.404 2.956 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000342933054 536049852 /nfs/dbraw/zinc/04/98/52/536049852.db2.gz DLHDEAHOHNFRSK-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343748553 536104850 /nfs/dbraw/zinc/10/48/50/536104850.db2.gz IAWHJKBHZBKLBJ-ZFWWWQNUSA-N 1 0 345.399 2.643 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)C1 ZINC000356315893 536394418 /nfs/dbraw/zinc/39/44/18/536394418.db2.gz SGKRWGSEAKXHHJ-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000414643295 536405280 /nfs/dbraw/zinc/40/52/80/536405280.db2.gz KOSAVFOMLLPSKE-SSDOTTSWSA-N 1 0 330.266 2.814 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000266184575 536434225 /nfs/dbraw/zinc/43/42/25/536434225.db2.gz DHIZEFRTCSYYMK-INIZCTEOSA-N 1 0 326.400 2.948 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000266184578 536450136 /nfs/dbraw/zinc/45/01/36/536450136.db2.gz DHIZEFRTCSYYMK-MRXNPFEDSA-N 1 0 326.400 2.948 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387088 536458557 /nfs/dbraw/zinc/45/85/57/536458557.db2.gz WYOGZZCFFCARES-HNNXBMFYSA-N 1 0 332.429 2.902 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000426257566 536758750 /nfs/dbraw/zinc/75/87/50/536758750.db2.gz QDWDOALMVXKJOJ-NSHDSACASA-N 1 0 346.330 2.552 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000346249454 536773015 /nfs/dbraw/zinc/77/30/15/536773015.db2.gz XPSLFPMOHIMXFD-ZDUSSCGKSA-N 1 0 344.371 2.853 20 5 EFBDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000266124341 536813228 /nfs/dbraw/zinc/81/32/28/536813228.db2.gz BCCYXKAQBRIVLZ-LLVKDONJSA-N 1 0 348.346 2.701 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415506814 536887247 /nfs/dbraw/zinc/88/72/47/536887247.db2.gz SDDVIAUYEITRBC-CQSZACIVSA-N 1 0 336.392 2.503 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420275305 537013996 /nfs/dbraw/zinc/01/39/96/537013996.db2.gz GSFFVXKBCVBMEU-NEPJUHHUSA-N 1 0 330.388 2.503 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC1 ZINC000275453241 537703618 /nfs/dbraw/zinc/70/36/18/537703618.db2.gz LWUSXQMARNBKNM-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173015187 537705388 /nfs/dbraw/zinc/70/53/88/537705388.db2.gz BNFJMJWCAKYRNX-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261544476 545619556 /nfs/dbraw/zinc/61/95/56/545619556.db2.gz YPBHCTHDZVPSDK-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261544457 545619857 /nfs/dbraw/zinc/61/98/57/545619857.db2.gz YFARMVUPDGQCDG-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000725263729 550198656 /nfs/dbraw/zinc/19/86/56/550198656.db2.gz DMLKFLTVIUTPNQ-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOc2ccc(F)cc2)cc1 ZINC000754250472 575410733 /nfs/dbraw/zinc/41/07/33/575410733.db2.gz HWBPUUZUCBQHBP-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc2ccccc2s1 ZINC000754716849 575476621 /nfs/dbraw/zinc/47/66/21/575476621.db2.gz NAGYJNQEPWSIDP-NSHDSACASA-N 1 0 344.396 2.717 20 5 EFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000755170387 575555565 /nfs/dbraw/zinc/55/55/65/575555565.db2.gz QIIMIZPEBWOFSY-YHAQOWFVSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000755170381 575555608 /nfs/dbraw/zinc/55/56/08/575555608.db2.gz QIIMIZPEBWOFSY-AMJWSMQMSA-N 1 0 341.795 2.732 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000755223426 575562064 /nfs/dbraw/zinc/56/20/64/575562064.db2.gz MYHABOMXDMQVAO-JTQLQIEISA-N 1 0 327.356 2.737 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000755762332 575629489 /nfs/dbraw/zinc/62/94/89/575629489.db2.gz DNHMFNLJAGKCCP-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000756090545 575682260 /nfs/dbraw/zinc/68/22/60/575682260.db2.gz JGWJMGNACMYDSE-AWEZNQCLSA-N 1 0 349.406 2.846 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756335030 575719536 /nfs/dbraw/zinc/71/95/36/575719536.db2.gz WBMMIYNPTYUWOR-NXEZZACHSA-N 1 0 326.784 2.805 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000756811371 575789146 /nfs/dbraw/zinc/78/91/46/575789146.db2.gz AMWORZAFQUUROX-CYBMUJFWSA-N 1 0 336.461 2.859 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000756950061 575804350 /nfs/dbraw/zinc/80/43/50/575804350.db2.gz ASWNUONJCRJWID-ZYHUDNBSSA-N 1 0 340.811 2.530 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756998575 575809320 /nfs/dbraw/zinc/80/93/20/575809320.db2.gz MTUXJXABNBBKHH-QWRGUYRKSA-N 1 0 325.796 2.737 20 5 EFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000757760568 575852401 /nfs/dbraw/zinc/85/24/01/575852401.db2.gz QIOTZEXAQICPRP-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757795336 575853151 /nfs/dbraw/zinc/85/31/51/575853151.db2.gz KXZMNGFCWGPOSJ-RNCFNFMXSA-N 1 0 338.795 2.852 20 5 EFBDRO C[N@H+](CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000757952601 575856669 /nfs/dbraw/zinc/85/66/69/575856669.db2.gz DSZMHKPBQURZKW-UHFFFAOYSA-N 1 0 343.383 2.856 20 5 EFBDRO Cc1cc(F)cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000758394594 575868599 /nfs/dbraw/zinc/86/85/99/575868599.db2.gz GPQTUMYKEONHKP-UHFFFAOYSA-N 1 0 337.395 2.987 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000758488005 575870840 /nfs/dbraw/zinc/87/08/40/575870840.db2.gz WHLZZCVSELOALS-CQSZACIVSA-N 1 0 335.379 2.743 20 5 EFBDRO O=C(CCCC[NH+]1CCCC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000759790842 575935256 /nfs/dbraw/zinc/93/52/56/575935256.db2.gz JJYOLQPQZSNNDJ-UHFFFAOYSA-N 1 0 331.376 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000759935083 575957912 /nfs/dbraw/zinc/95/79/12/575957912.db2.gz COGNIZMKCCFHKM-GOSISDBHSA-N 1 0 327.384 2.903 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761055765 576106490 /nfs/dbraw/zinc/10/64/90/576106490.db2.gz MTYIPEUHRSIHRM-SNVBAGLBSA-N 1 0 334.294 2.866 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])CC2 ZINC000761146951 576120856 /nfs/dbraw/zinc/12/08/56/576120856.db2.gz VPIOBOXLWAJQEQ-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000761220180 576131463 /nfs/dbraw/zinc/13/14/63/576131463.db2.gz VOSBSPMXOHTRLT-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000763629761 576383352 /nfs/dbraw/zinc/38/33/52/576383352.db2.gz SJCWQHBBSLJMOP-PBHICJAKSA-N 1 0 342.395 2.954 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000764489067 576464675 /nfs/dbraw/zinc/46/46/75/576464675.db2.gz HYYJNFMAEJODAM-SWLSCSKDSA-N 1 0 334.445 2.708 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039780 576539722 /nfs/dbraw/zinc/53/97/22/576539722.db2.gz SOMCXGXNHSDWNJ-HNNXBMFYSA-N 1 0 345.447 2.874 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC3(C2)CCOCC3)c2ccc([N+](=O)[O-])cc12 ZINC000765047250 577000948 /nfs/dbraw/zinc/00/09/48/577000948.db2.gz JVZQHAXHSRFEDN-UHFFFAOYSA-N 1 0 330.388 2.713 20 5 EFBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102414 577007012 /nfs/dbraw/zinc/00/70/12/577007012.db2.gz DYWHEPMEIVJOMY-WMLDXEAASA-N 1 0 343.431 2.627 20 5 EFBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765102411 577007042 /nfs/dbraw/zinc/00/70/42/577007042.db2.gz DYWHEPMEIVJOMY-RHSMWYFYSA-N 1 0 343.431 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC(F)(F)F)CC2)cc1 ZINC000765365560 577035370 /nfs/dbraw/zinc/03/53/70/577035370.db2.gz ZVYSTFOLWGTQOE-UHFFFAOYSA-N 1 0 347.337 2.732 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000765383779 577037177 /nfs/dbraw/zinc/03/71/77/577037177.db2.gz UZXPWUVCODGZHJ-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)cc1Cl ZINC000765486739 577046134 /nfs/dbraw/zinc/04/61/34/577046134.db2.gz XZONKKBIFUXWKM-UHFFFAOYSA-N 1 0 329.784 2.787 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000765508843 577048713 /nfs/dbraw/zinc/04/87/13/577048713.db2.gz LDCWEKXVSSKNNW-UWVGGRQHSA-N 1 0 341.795 2.929 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000765517222 577049922 /nfs/dbraw/zinc/04/99/22/577049922.db2.gz WBWXFHDDIGJNHT-DOTOQJQBSA-N 1 0 335.448 2.866 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000765802050 577078599 /nfs/dbraw/zinc/07/85/99/577078599.db2.gz YAIOEQQVDLBAAD-LBPRGKRZSA-N 1 0 337.807 2.995 20 5 EFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849337 577082478 /nfs/dbraw/zinc/08/24/78/577082478.db2.gz OQDQZLYETSIUNW-DLBZAZTESA-N 1 0 328.368 2.914 20 5 EFBDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000765979708 577094766 /nfs/dbraw/zinc/09/47/66/577094766.db2.gz WZUHSRRFKHXUEA-KSSFIOAISA-N 1 0 333.432 2.889 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766248709 577126774 /nfs/dbraw/zinc/12/67/74/577126774.db2.gz NEOLZISMZBBVOL-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766248712 577126824 /nfs/dbraw/zinc/12/68/24/577126824.db2.gz NEOLZISMZBBVOL-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000766556222 577166629 /nfs/dbraw/zinc/16/66/29/577166629.db2.gz NKLLANIBUHSYFO-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954743 577189656 /nfs/dbraw/zinc/18/96/56/577189656.db2.gz PYCSXHNBAUKINX-DYVFJYSZSA-N 1 0 348.378 2.556 20 5 EFBDRO CS[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1[NH+](C)C ZINC000767292986 577202956 /nfs/dbraw/zinc/20/29/56/577202956.db2.gz WHTJVWREZAJDTO-WCQYABFASA-N 1 0 338.458 2.686 20 5 EFBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767816845 577235950 /nfs/dbraw/zinc/23/59/50/577235950.db2.gz BFKUECNWOYONRR-HKUYNNGSSA-N 1 0 344.411 2.901 20 5 EFBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499937 577278688 /nfs/dbraw/zinc/27/86/88/577278688.db2.gz NGJMOLCMMNLGGP-WMLDXEAASA-N 1 0 343.431 2.627 20 5 EFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000768925855 577317029 /nfs/dbraw/zinc/31/70/29/577317029.db2.gz ICWDNELIQGNPOC-UITAMQMPSA-N 1 0 325.368 2.839 20 5 EFBDRO C[N@H+](CCOC(=O)c1cc([N+](=O)[O-])ccc1N)Cc1ccc(F)cc1 ZINC000769068074 577330484 /nfs/dbraw/zinc/33/04/84/577330484.db2.gz PSRCJWCEFNWRRC-UHFFFAOYSA-N 1 0 347.346 2.605 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403949 577359844 /nfs/dbraw/zinc/35/98/44/577359844.db2.gz LUCFNZFCPROJAP-LLVKDONJSA-N 1 0 342.237 2.741 20 5 EFBDRO O=C1CN(C[NH+]2CCCCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726583434 577374250 /nfs/dbraw/zinc/37/42/50/577374250.db2.gz YREOBYJRFQZZDV-UHFFFAOYSA-N 1 0 346.387 2.587 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000769939718 577394567 /nfs/dbraw/zinc/39/45/67/577394567.db2.gz AGURYVFFSWPLNJ-DOTOQJQBSA-N 1 0 344.415 2.582 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000769996442 577397015 /nfs/dbraw/zinc/39/70/15/577397015.db2.gz CFMHLVKFFYWZSX-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000770016330 577397847 /nfs/dbraw/zinc/39/78/47/577397847.db2.gz NHOYVNSYDREJNE-GXTWGEPZSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(OCC[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000770419407 577417212 /nfs/dbraw/zinc/41/72/12/577417212.db2.gz IAIUQMBNYMNACZ-UHFFFAOYSA-N 1 0 328.315 2.716 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000772206232 581295261 /nfs/dbraw/zinc/29/52/61/581295261.db2.gz GOKLXWPPIMKRBX-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO CCc1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000773136181 581400000 /nfs/dbraw/zinc/40/00/00/581400000.db2.gz GLLKLYBMYUFVLD-LBPRGKRZSA-N 1 0 344.419 2.595 20 5 EFBDRO COCC1(C)CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000773269469 581412461 /nfs/dbraw/zinc/41/24/61/581412461.db2.gz PDDYGHWQNWNGLY-UHFFFAOYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000774132349 581484725 /nfs/dbraw/zinc/48/47/25/581484725.db2.gz AETSHFDAMNHKNY-BZUAXINKSA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774182876 581486646 /nfs/dbraw/zinc/48/66/46/581486646.db2.gz KBZQSOPIMQLOIT-YESZJQIVSA-N 1 0 344.415 2.907 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000774232462 581487732 /nfs/dbraw/zinc/48/77/32/581487732.db2.gz YTKXSFHCKHWKLA-CABCVRRESA-N 1 0 345.359 2.973 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000774609139 581495099 /nfs/dbraw/zinc/49/50/99/581495099.db2.gz SQCAFIZTVFURMW-HZPDHXFCSA-N 1 0 336.775 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000774609136 581495131 /nfs/dbraw/zinc/49/51/31/581495131.db2.gz SQCAFIZTVFURMW-CVEARBPZSA-N 1 0 336.775 2.605 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000774902572 581503546 /nfs/dbraw/zinc/50/35/46/581503546.db2.gz IGHRTEYFIKBMOW-TZMCWYRMSA-N 1 0 336.392 2.808 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000774902565 581503564 /nfs/dbraw/zinc/50/35/64/581503564.db2.gz IGHRTEYFIKBMOW-JSGCOSHPSA-N 1 0 336.392 2.808 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])C1 ZINC000823690205 1265415319 /nfs/dbraw/zinc/41/53/19/1265415319.db2.gz NPAPBJBAJRLZJC-VIFPVBQESA-N 1 0 346.200 2.884 20 5 EFBDRO Cn1c2ccccc2c(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000823777999 1265429102 /nfs/dbraw/zinc/42/91/02/1265429102.db2.gz XXULVMIWZMMVEC-ZDUSSCGKSA-N 1 0 344.415 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850395906 1250465789 /nfs/dbraw/zinc/46/57/89/1250465789.db2.gz DSDSAWMADCXKBH-HNNXBMFYSA-N 1 0 339.823 2.591 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000850433464 1250484348 /nfs/dbraw/zinc/48/43/48/1250484348.db2.gz JQQVLZFZVFEDQD-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850538371 1250528676 /nfs/dbraw/zinc/52/86/76/1250528676.db2.gz ZOGJWBAXOPVDQJ-YGRLFVJLSA-N 1 0 331.347 2.970 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000850547956 1250529929 /nfs/dbraw/zinc/52/99/29/1250529929.db2.gz LBTUBQWMKHZKAE-KRWDZBQOSA-N 1 0 343.383 2.972 20 5 EFBDRO C[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000851646754 1251170092 /nfs/dbraw/zinc/17/00/92/1251170092.db2.gz KCXSJQKWTJBLIL-YAEWXCMKSA-N 1 0 331.416 2.974 20 5 EFBDRO Cc1cc(NC/C=C/CNC(=O)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001107269427 1255486343 /nfs/dbraw/zinc/48/63/43/1255486343.db2.gz PCZDICGAZPBFAM-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO CC(F)(F)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996963614 1256596258 /nfs/dbraw/zinc/59/62/58/1256596258.db2.gz FOIULOXUGVBTAH-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CCC1(C(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000996977021 1256615386 /nfs/dbraw/zinc/61/53/86/1256615386.db2.gz IAMXJMBPUQPWSI-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1sccc1Cl ZINC001127851290 1256633920 /nfs/dbraw/zinc/63/39/20/1256633920.db2.gz WJVXCAVXQFCEGN-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO O=C(C1CC2(CC2)C1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996991641 1256649210 /nfs/dbraw/zinc/64/92/10/1256649210.db2.gz SESQGGPXCUOTOX-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO CCOc1cnc(N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168545031 1257043652 /nfs/dbraw/zinc/04/36/52/1257043652.db2.gz NLHJKFQSIXCDTO-LBPRGKRZSA-N 1 0 328.372 2.973 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168549394 1257143758 /nfs/dbraw/zinc/14/37/58/1257143758.db2.gz UKQTVSCOMQUUNW-ZDUSSCGKSA-N 1 0 341.367 2.966 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168549427 1257147726 /nfs/dbraw/zinc/14/77/26/1257147726.db2.gz UXSNNXMEMSSQTA-LBPRGKRZSA-N 1 0 341.367 2.966 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997301863 1257341228 /nfs/dbraw/zinc/34/12/28/1257341228.db2.gz HCBXASRRIMYFBB-UHFFFAOYSA-N 1 0 348.428 2.687 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997303841 1257384273 /nfs/dbraw/zinc/38/42/73/1257384273.db2.gz OPEASXGVQFLRGA-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO O=C(C1CCC1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997465662 1257608819 /nfs/dbraw/zinc/60/88/19/1257608819.db2.gz ZDFZNKNXKZLLHD-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CC(C)(F)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997460439 1257611445 /nfs/dbraw/zinc/61/14/45/1257611445.db2.gz FDMLZTPYCKNVRJ-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO CC(C)=CC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997493316 1257784997 /nfs/dbraw/zinc/78/49/97/1257784997.db2.gz CJWTZMPVJBLOEB-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO O=C(C1CC=CC1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997636752 1258139686 /nfs/dbraw/zinc/13/96/86/1258139686.db2.gz CXZDFOWNQUZSGA-UHFFFAOYSA-N 1 0 343.427 2.889 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997637938 1258141709 /nfs/dbraw/zinc/14/17/09/1258141709.db2.gz OWDLQTXEOYWQGD-ARJAWSKDSA-N 1 0 349.456 2.951 20 5 EFBDRO O=C(/C=C\C1CC1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997638639 1258143136 /nfs/dbraw/zinc/14/31/36/1258143136.db2.gz TZSOTEVOTQKRRA-YVMONPNESA-N 1 0 343.427 2.889 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997651714 1258167672 /nfs/dbraw/zinc/16/76/72/1258167672.db2.gz UDJWHWGTRBKOOO-BQYQJAHWSA-N 1 0 343.427 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000922516508 1266170049 /nfs/dbraw/zinc/17/00/49/1266170049.db2.gz KYCGSUDCDBZEGY-OCCSQVGLSA-N 1 0 328.315 2.853 20 5 EFBDRO CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946424075 1258755229 /nfs/dbraw/zinc/75/52/29/1258755229.db2.gz ADTIFBCCHVDXTN-IYBDPMFKSA-N 1 0 331.416 2.675 20 5 EFBDRO O=C(N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CC1 ZINC000998067780 1259062783 /nfs/dbraw/zinc/06/27/83/1259062783.db2.gz YNHVWFSUTLVCCN-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CC(C)(C)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000998232603 1259277994 /nfs/dbraw/zinc/27/79/94/1259277994.db2.gz DTQVJSVQJKVEMX-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713573 1261182932 /nfs/dbraw/zinc/18/29/32/1261182932.db2.gz VXNDTUFZQZTJHO-SNVBAGLBSA-N 1 0 328.210 2.671 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923310538 1261460512 /nfs/dbraw/zinc/46/05/12/1261460512.db2.gz JEDCVZVCVWZDRD-GUTXKFCHSA-N 1 0 349.456 2.771 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1(C[NH3+])CCC1 ZINC000923363117 1261573342 /nfs/dbraw/zinc/57/33/42/1261573342.db2.gz UJQOSRBCPQBLBY-UHFFFAOYSA-N 1 0 328.210 2.671 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCCC1 ZINC001170156036 1278157535 /nfs/dbraw/zinc/15/75/35/1278157535.db2.gz UZRWRQUCDRGMPZ-UHFFFAOYSA-N 1 0 337.395 2.863 20 5 EFBDRO CC[NH+]1CCC(N(C)c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165067808 1263247189 /nfs/dbraw/zinc/24/71/89/1263247189.db2.gz JRZGPCMDQTVDRT-UHFFFAOYSA-N 1 0 334.207 2.612 20 5 EFBDRO CC(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002787203 1264070370 /nfs/dbraw/zinc/07/03/70/1264070370.db2.gz HZJKKXFBMMVXDZ-QZTJIDSGSA-N 1 0 345.443 2.556 20 5 EFBDRO CC1(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001003444601 1264759550 /nfs/dbraw/zinc/75/95/50/1264759550.db2.gz SJMSGPHKUUSKTF-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168714270 1265015085 /nfs/dbraw/zinc/01/50/85/1265015085.db2.gz TXWCLZKMPITRDO-UHFFFAOYSA-N 1 0 348.366 2.825 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000823678444 1265411288 /nfs/dbraw/zinc/41/12/88/1265411288.db2.gz MGANTEPPCDWACL-GDBMZVCRSA-N 1 0 333.432 2.716 20 5 EFBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000922639736 1266496645 /nfs/dbraw/zinc/49/66/45/1266496645.db2.gz PGFTXHMTERTHPG-MRXNPFEDSA-N 1 0 343.383 2.955 20 5 EFBDRO COc1ccc(C[NH2+]CCc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000922714765 1266641029 /nfs/dbraw/zinc/64/10/29/1266641029.db2.gz KKCFDEUALVORDS-UHFFFAOYSA-N 1 0 333.413 2.881 20 5 EFBDRO COc1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000791692518 1278275463 /nfs/dbraw/zinc/27/54/63/1278275463.db2.gz NFZYKPLIHXHKEX-AWEZNQCLSA-N 1 0 336.388 2.943 20 5 EFBDRO Cn1cc(Cl)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000824758697 1278285447 /nfs/dbraw/zinc/28/54/47/1278285447.db2.gz ZWMXMKLPGPKXKP-UHFFFAOYSA-N 1 0 349.822 2.740 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000736070585 1267490774 /nfs/dbraw/zinc/49/07/74/1267490774.db2.gz XUOQADUINNHJOU-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117687633 1267701195 /nfs/dbraw/zinc/70/11/95/1267701195.db2.gz GNEXFTJFOKLKAZ-ZDUSSCGKSA-N 1 0 334.420 2.740 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000739447086 1268691295 /nfs/dbraw/zinc/69/12/95/1268691295.db2.gz ASBXTCRHDAAQHJ-ZDUSSCGKSA-N 1 0 334.445 2.709 20 5 EFBDRO O=C(CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccn1 ZINC000740004804 1268787800 /nfs/dbraw/zinc/78/78/00/1268787800.db2.gz WPTUNLAHJAUQBX-UHFFFAOYSA-N 1 0 334.763 2.762 20 5 EFBDRO CC(C)(O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825202650 1278462360 /nfs/dbraw/zinc/46/23/60/1278462360.db2.gz SQAWEDPWJMLZHJ-UHFFFAOYSA-N 1 0 335.448 2.950 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C ZINC000740870221 1269145210 /nfs/dbraw/zinc/14/52/10/1269145210.db2.gz BJOTZNKBTZBAAT-OCCSQVGLSA-N 1 0 346.431 2.789 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000741014762 1269231523 /nfs/dbraw/zinc/23/15/23/1269231523.db2.gz YLWDGISPHBOHMR-MRXNPFEDSA-N 1 0 336.388 2.767 20 5 EFBDRO C[C@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000741029232 1269264108 /nfs/dbraw/zinc/26/41/08/1269264108.db2.gz NGRQZAZUSZIXPJ-CQSZACIVSA-N 1 0 336.388 2.781 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccn21 ZINC000737414402 1269290470 /nfs/dbraw/zinc/29/04/70/1269290470.db2.gz XESFEDFYBRKFSD-CQSZACIVSA-N 1 0 329.404 2.697 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001086010132 1269506440 /nfs/dbraw/zinc/50/64/40/1269506440.db2.gz OHUAPNOTYGLVNL-FZNQNYSPSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001086015183 1269528540 /nfs/dbraw/zinc/52/85/40/1269528540.db2.gz BRRFQQDNGDGMCS-KDYLLFBJSA-N 1 0 339.395 2.893 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086028990 1269585867 /nfs/dbraw/zinc/58/58/67/1269585867.db2.gz OJKKWJYOFUPPRP-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000791993918 1278494555 /nfs/dbraw/zinc/49/45/55/1278494555.db2.gz LBDIZECFPSPSSB-UHFFFAOYSA-N 1 0 349.156 2.605 20 5 EFBDRO CC(C)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000741751429 1269687402 /nfs/dbraw/zinc/68/74/02/1269687402.db2.gz KYYBFUCSYJYHGI-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001086069662 1269766887 /nfs/dbraw/zinc/76/68/87/1269766887.db2.gz FJDCTVJDLNVAKI-FZNQNYSPSA-N 1 0 343.383 2.794 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000742392392 1270020985 /nfs/dbraw/zinc/02/09/85/1270020985.db2.gz KABGISSKUCEAHD-HNNXBMFYSA-N 1 0 335.404 2.659 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000843831771 1270071119 /nfs/dbraw/zinc/07/11/19/1270071119.db2.gz RCZYLKGSXXVGDS-TZMCWYRMSA-N 1 0 335.379 2.599 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825408525 1278540195 /nfs/dbraw/zinc/54/01/95/1278540195.db2.gz BKWAVGHYSFBREK-BMGDILEWSA-N 1 0 345.443 2.935 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005374652 1270236867 /nfs/dbraw/zinc/23/68/67/1270236867.db2.gz GZFWFTLCWVXQTJ-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000825441866 1278550389 /nfs/dbraw/zinc/55/03/89/1278550389.db2.gz ZFQKRNYPUNHWAQ-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001086172539 1270343990 /nfs/dbraw/zinc/34/39/90/1270343990.db2.gz BTWIOLPXYJKRPK-BJHJDKERSA-N 1 0 349.412 2.856 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000743021294 1270370070 /nfs/dbraw/zinc/37/00/70/1270370070.db2.gz GTQKQOGLURWDPZ-ZDUSSCGKSA-N 1 0 336.461 2.955 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001086191604 1270419441 /nfs/dbraw/zinc/41/94/41/1270419441.db2.gz ADJSCBXVPQJNFT-FZNQNYSPSA-N 1 0 343.427 2.769 20 5 EFBDRO CN(C(=O)c1cc[nH]c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005429266 1270482899 /nfs/dbraw/zinc/48/28/99/1270482899.db2.gz LRCQHDFEXRIZQP-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCCC1 ZINC000743869005 1270792091 /nfs/dbraw/zinc/79/20/91/1270792091.db2.gz IYGGTXMIBCAFRZ-CQSZACIVSA-N 1 0 344.415 2.540 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsc1 ZINC001086304190 1270899690 /nfs/dbraw/zinc/89/96/90/1270899690.db2.gz RNWZQOGTSROQLR-CTYIDZIISA-N 1 0 345.424 2.955 20 5 EFBDRO CC[N@H+](CCc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000744200632 1270925849 /nfs/dbraw/zinc/92/58/49/1270925849.db2.gz OEEDUMOQDAHVMS-UHFFFAOYSA-N 1 0 343.383 2.921 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC001086308843 1270931623 /nfs/dbraw/zinc/93/16/23/1270931623.db2.gz RXCNSEHAOVAFAA-MJHDQNEOSA-N 1 0 335.385 2.548 20 5 EFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000744441436 1271050351 /nfs/dbraw/zinc/05/03/51/1271050351.db2.gz PKRALQSNDXBTPS-UKRRQHHQSA-N 1 0 344.415 2.934 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843891587 1278636610 /nfs/dbraw/zinc/63/66/10/1278636610.db2.gz LOLDMQWURXRNAV-NSHDSACASA-N 1 0 325.384 2.893 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCCCCC1 ZINC000746296234 1271965415 /nfs/dbraw/zinc/96/54/15/1271965415.db2.gz WBIKWBUTKDQQHT-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+]1CCC(C)CC1 ZINC000746306845 1271973079 /nfs/dbraw/zinc/97/30/79/1271973079.db2.gz WLBWIBLVBUHEAQ-QGZVFWFLSA-N 1 0 348.447 2.663 20 5 EFBDRO Cc1ncn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)c1CSCC[NH3+] ZINC001168786926 1272273647 /nfs/dbraw/zinc/27/36/47/1272273647.db2.gz WFHHWZFCXNGJKU-UHFFFAOYSA-N 1 0 347.444 2.555 20 5 EFBDRO CC(F)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034579732 1272290511 /nfs/dbraw/zinc/29/05/11/1272290511.db2.gz DXCHBEVMRIPBDT-XYPYZODXSA-N 1 0 347.387 2.829 20 5 EFBDRO CC(F)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034579691 1272290883 /nfs/dbraw/zinc/29/08/83/1272290883.db2.gz COKYMZDFTXTABD-JOCQHMNTSA-N 1 0 341.358 2.767 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817705 1272401816 /nfs/dbraw/zinc/40/18/16/1272401816.db2.gz KONCAYXLUOSSNV-ZDUSSCGKSA-N 1 0 330.388 2.692 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168830145 1272431213 /nfs/dbraw/zinc/43/12/13/1272431213.db2.gz HVOFAXNKVHNDTJ-UHFFFAOYSA-N 1 0 344.762 2.683 20 5 EFBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001034650339 1272439372 /nfs/dbraw/zinc/43/93/72/1272439372.db2.gz GAKSIROPHGUPFE-JOCQHMNTSA-N 1 0 337.445 2.973 20 5 EFBDRO CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977394 1272548404 /nfs/dbraw/zinc/54/84/04/1272548404.db2.gz BEUKQYGPSCDYKU-JYJNAYRXSA-N 1 0 327.469 2.598 20 5 EFBDRO CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977396 1272548524 /nfs/dbraw/zinc/54/85/24/1272548524.db2.gz BEUKQYGPSCDYKU-PMPSAXMXSA-N 1 0 327.469 2.598 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168979699 1272549622 /nfs/dbraw/zinc/54/96/22/1272549622.db2.gz ZJAXLMYLQQCJIC-SWHYSGLUSA-N 1 0 332.322 2.774 20 5 EFBDRO C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168956366 1272554790 /nfs/dbraw/zinc/55/47/90/1272554790.db2.gz DSPJVWPQQBJCKY-KGLIPLIRSA-N 1 0 341.477 2.609 20 5 EFBDRO C[C@@H]1[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168956954 1272555335 /nfs/dbraw/zinc/55/53/35/1272555335.db2.gz CYWJTJIKVFWSQN-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964703 1272557680 /nfs/dbraw/zinc/55/76/80/1272557680.db2.gz VJFRAKRTDQZWBZ-LXTVHRRPSA-N 1 0 341.452 2.857 20 5 EFBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963922 1272558163 /nfs/dbraw/zinc/55/81/63/1272558163.db2.gz QNPMODFAWSAQSM-TUVASFSCSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964478 1272558459 /nfs/dbraw/zinc/55/84/59/1272558459.db2.gz TZBAIHYHPROLAG-TUVASFSCSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967887 1272559482 /nfs/dbraw/zinc/55/94/82/1272559482.db2.gz UJHIAOVYUJTRLQ-QLFBSQMISA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001168973349 1272564388 /nfs/dbraw/zinc/56/43/88/1272564388.db2.gz OLGZFIQRYKNYAA-SMDDNHRTSA-N 1 0 344.333 2.966 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccc(F)cc2)C1 ZINC001168993346 1272569850 /nfs/dbraw/zinc/56/98/50/1272569850.db2.gz MVEIMMVDLHSJJN-GDBMZVCRSA-N 1 0 332.379 2.606 20 5 EFBDRO O=C1CCCCCN1c1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168997019 1272573252 /nfs/dbraw/zinc/57/32/52/1272573252.db2.gz BAHZUGILMOXSPI-HZPDHXFCSA-N 1 0 346.431 2.524 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168997131 1272573783 /nfs/dbraw/zinc/57/37/83/1272573783.db2.gz BQVJSKXETJSKPZ-XGWLTEMNSA-N 1 0 332.400 2.886 20 5 EFBDRO COCCOc1c(F)cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168998258 1272574406 /nfs/dbraw/zinc/57/44/06/1272574406.db2.gz KOHGBUDAGDVTNR-YPMHNXCESA-N 1 0 344.358 2.525 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3cccc(F)c3)cn2)C1 ZINC001168998412 1272574851 /nfs/dbraw/zinc/57/48/51/1272574851.db2.gz MQWXEYFDHKNANP-GOEBONIOSA-N 1 0 332.379 2.606 20 5 EFBDRO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997979 1272575312 /nfs/dbraw/zinc/57/53/12/1272575312.db2.gz GXLKMUSNKZCFQU-FPCVCCKLSA-N 1 0 339.480 2.885 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3F)cn2)C1 ZINC001168997955 1272575642 /nfs/dbraw/zinc/57/56/42/1272575642.db2.gz GVPOSESVCJSWMD-DZGCQCFKSA-N 1 0 332.379 2.606 20 5 EFBDRO [NH3+]Cc1cccc(Br)c1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004159 1272579128 /nfs/dbraw/zinc/57/91/28/1272579128.db2.gz QICSKZVHQOSHQD-MWLCHTKSSA-N 1 0 328.210 2.765 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001169005878 1272580731 /nfs/dbraw/zinc/58/07/31/1272580731.db2.gz VIMRZVUCMDYJJS-KBXIAJHMSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006764 1272581403 /nfs/dbraw/zinc/58/14/03/1272581403.db2.gz YVIJWYVUBFYJOO-ZNMIVQPWSA-N 1 0 343.468 2.961 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007247 1272581522 /nfs/dbraw/zinc/58/15/22/1272581522.db2.gz MCABJKKVZARYJR-KEYYUXOJSA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010109 1272582365 /nfs/dbraw/zinc/58/23/65/1272582365.db2.gz AZKGLYCUWGIXLN-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012913 1272585248 /nfs/dbraw/zinc/58/52/48/1272585248.db2.gz SMQFMRJTCYXZEM-XGUBFFRZSA-N 1 0 341.452 2.762 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013777 1272585392 /nfs/dbraw/zinc/58/53/92/1272585392.db2.gz WJADUGNJFJVXEN-GJZGRUSLSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011350 1272585701 /nfs/dbraw/zinc/58/57/01/1272585701.db2.gz KABSSAJQINCGNP-ZIAGYGMSSA-N 1 0 339.436 2.517 20 5 EFBDRO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)co2)cc1 ZINC001168987923 1272588665 /nfs/dbraw/zinc/58/86/65/1272588665.db2.gz LIMATWMPWIQEMS-JSGCOSHPSA-N 1 0 331.372 2.885 20 5 EFBDRO Cc1ncc(Br)cc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988296 1272588812 /nfs/dbraw/zinc/58/88/12/1272588812.db2.gz QMYHNJQVTCSNIL-MFKMUULPSA-N 1 0 328.210 2.688 20 5 EFBDRO CCCN(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168986773 1272588935 /nfs/dbraw/zinc/58/89/35/1272588935.db2.gz ZCTQNJWTIVTMLR-ZIAGYGMSSA-N 1 0 329.441 2.669 20 5 EFBDRO CC[C@H](CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988589 1272590624 /nfs/dbraw/zinc/59/06/24/1272590624.db2.gz SSAJOEWIWDMTGE-MJBXVCDLSA-N 1 0 329.441 2.715 20 5 EFBDRO CC[C@H](CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988587 1272590978 /nfs/dbraw/zinc/59/09/78/1272590978.db2.gz SSAJOEWIWDMTGE-MCIONIFRSA-N 1 0 329.441 2.715 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)C1 ZINC001169027867 1272591811 /nfs/dbraw/zinc/59/18/11/1272591811.db2.gz RJAJPEJHKHBQGV-BNOWGMLFSA-N 1 0 326.343 2.863 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001169028492 1272592261 /nfs/dbraw/zinc/59/22/61/1272592261.db2.gz SRBAWJBYCFCDDE-RDJZCZTQSA-N 1 0 337.851 2.903 20 5 EFBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169030269 1272595213 /nfs/dbraw/zinc/59/52/13/1272595213.db2.gz XQZFYEMGPBXFCF-RLFYNMQTSA-N 1 0 334.416 2.984 20 5 EFBDRO O=C1OC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169033209 1272596075 /nfs/dbraw/zinc/59/60/75/1272596075.db2.gz BJIBBMPOTVEGEG-UONOGXRCSA-N 1 0 330.384 2.594 20 5 EFBDRO CC[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169034583 1272596477 /nfs/dbraw/zinc/59/64/77/1272596477.db2.gz IAYMXWPTDIBTGT-QLFBSQMISA-N 1 0 341.452 2.763 20 5 EFBDRO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034539 1272596575 /nfs/dbraw/zinc/59/65/75/1272596575.db2.gz HLIOXBPYURRMTI-QLFBSQMISA-N 1 0 341.452 2.621 20 5 EFBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)Oc2ccccc21 ZINC001169033223 1272596756 /nfs/dbraw/zinc/59/67/56/1272596756.db2.gz BKWGPFAAQORKII-GJZGRUSLSA-N 1 0 344.411 2.932 20 5 EFBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)Oc2ccccc21 ZINC001169033228 1272596886 /nfs/dbraw/zinc/59/68/86/1272596886.db2.gz BKWGPFAAQORKII-LSDHHAIUSA-N 1 0 344.411 2.932 20 5 EFBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001169035525 1272598470 /nfs/dbraw/zinc/59/84/70/1272598470.db2.gz BTOMFVQLYUQWJX-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO COc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169035147 1272598551 /nfs/dbraw/zinc/59/85/51/1272598551.db2.gz ALGWZZOGQUEHHO-WMLDXEAASA-N 1 0 333.432 2.699 20 5 EFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035612 1272598863 /nfs/dbraw/zinc/59/88/63/1272598863.db2.gz KVBIOLSXZWWMGO-AGIUHOORSA-N 1 0 338.477 2.504 20 5 EFBDRO O=c1oc2ccccc2n1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035607 1272599348 /nfs/dbraw/zinc/59/93/48/1272599348.db2.gz KUSXCSHKTKWULM-UKRRQHHQSA-N 1 0 345.399 2.677 20 5 EFBDRO C[C@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001169035133 1272599751 /nfs/dbraw/zinc/59/97/51/1272599751.db2.gz AKSLWYWRZGGDBS-AJNGGQMLSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001169036060 1272600916 /nfs/dbraw/zinc/60/09/16/1272600916.db2.gz MVIGYNHVDUGJFX-KOLCDFICSA-N 1 0 348.325 2.713 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169037557 1272604179 /nfs/dbraw/zinc/60/41/79/1272604179.db2.gz SMIBNSRVQDYCMB-NVXWUHKLSA-N 1 0 337.851 2.903 20 5 EFBDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038860 1272605700 /nfs/dbraw/zinc/60/57/00/1272605700.db2.gz LBAMLPVQSUWYAE-NRSFXHEJSA-N 1 0 345.443 2.555 20 5 EFBDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038858 1272605954 /nfs/dbraw/zinc/60/59/54/1272605954.db2.gz LBAMLPVQSUWYAE-LAVFITLUSA-N 1 0 345.443 2.555 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169038127 1272606646 /nfs/dbraw/zinc/60/66/46/1272606646.db2.gz VWLYRGKNUBBRNH-KGLIPLIRSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039840 1272607819 /nfs/dbraw/zinc/60/78/19/1272607819.db2.gz UREZACGSHHJFJE-UONOGXRCSA-N 1 0 329.441 2.667 20 5 EFBDRO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039715 1272608604 /nfs/dbraw/zinc/60/86/04/1272608604.db2.gz SNQLPMGBINGYTM-ZMSDIMECSA-N 1 0 336.432 2.884 20 5 EFBDRO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039712 1272608627 /nfs/dbraw/zinc/60/86/27/1272608627.db2.gz SNQLPMGBINGYTM-HLLBOEOZSA-N 1 0 336.432 2.884 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169042799 1272612935 /nfs/dbraw/zinc/61/29/35/1272612935.db2.gz FUKURJSMUKQBOJ-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018511 1272618120 /nfs/dbraw/zinc/61/81/20/1272618120.db2.gz CVKROCBRDSORCF-ZQIUZPCESA-N 1 0 349.456 2.622 20 5 EFBDRO Cc1ccc2nc(C3CC[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)nn2c1 ZINC001169025363 1272620990 /nfs/dbraw/zinc/62/09/90/1272620990.db2.gz TZBSDAGDUSRTTP-GOEBONIOSA-N 1 0 343.431 2.663 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)C1 ZINC001169026469 1272624313 /nfs/dbraw/zinc/62/43/13/1272624313.db2.gz XHEBHIIZFCHCFS-DZGCQCFKSA-N 1 0 342.399 2.583 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048733 1272627184 /nfs/dbraw/zinc/62/71/84/1272627184.db2.gz BCWFLYVYLNECHV-KURKYZTESA-N 1 0 346.427 2.887 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169048732 1272627221 /nfs/dbraw/zinc/62/72/21/1272627221.db2.gz BCWFLYVYLNECHV-KSZLIROESA-N 1 0 346.427 2.887 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169048311 1272627243 /nfs/dbraw/zinc/62/72/43/1272627243.db2.gz UPAAHNQMLVWDOZ-RHSMWYFYSA-N 1 0 328.416 2.669 20 5 EFBDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050034 1272628925 /nfs/dbraw/zinc/62/89/25/1272628925.db2.gz YGQWJBBVKQJSIV-ZIAGYGMSSA-N 1 0 329.441 2.669 20 5 EFBDRO CC1(C)C[C@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C[C@](C)(C[NH3+])C1 ZINC001169142658 1272704073 /nfs/dbraw/zinc/70/40/73/1272704073.db2.gz NEBBFFNQGQLYKQ-QFYYESIMSA-N 1 0 332.408 2.822 20 5 EFBDRO Cc1c(-n2ncc3c2cccc3C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169192805 1272732418 /nfs/dbraw/zinc/73/24/18/1272732418.db2.gz RFBDQZNVDJPZIH-UHFFFAOYSA-N 1 0 327.300 2.609 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169243790 1272765681 /nfs/dbraw/zinc/76/56/81/1272765681.db2.gz TUJNODRTNLHSRY-QPJJXVBHSA-N 1 0 347.806 2.889 20 5 EFBDRO Cc1cc(Cl)c(NCc2ncn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001169245021 1272766840 /nfs/dbraw/zinc/76/68/40/1272766840.db2.gz QPHJNAKAXXIIIT-UHFFFAOYSA-N 1 0 335.795 2.859 20 5 EFBDRO [NH3+]Cc1ccnn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001162593839 1272829311 /nfs/dbraw/zinc/82/93/11/1272829311.db2.gz RJKKYZCXOSIEGX-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001156321847 1272953002 /nfs/dbraw/zinc/95/30/02/1272953002.db2.gz XVENTIRHIDYPBJ-UHFFFAOYSA-N 1 0 331.372 2.714 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3ncccc3c2[N+](=O)[O-])c2cccnc12 ZINC001169710557 1273112640 /nfs/dbraw/zinc/11/26/40/1273112640.db2.gz MHBMCYJRPRSZNW-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000804358374 1273687401 /nfs/dbraw/zinc/68/74/01/1273687401.db2.gz YFMRPVJUWKKJPI-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001109576474 1274442230 /nfs/dbraw/zinc/44/22/30/1274442230.db2.gz HWDYWFHUOULYED-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001109622845 1274481803 /nfs/dbraw/zinc/48/18/03/1274481803.db2.gz AEUQESGIHYEURN-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000792566364 1278875146 /nfs/dbraw/zinc/87/51/46/1278875146.db2.gz SUYZMDCIDHPQER-UHFFFAOYSA-N 1 0 342.267 2.508 20 5 EFBDRO CSc1nc(Cl)nc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157010516 1274989678 /nfs/dbraw/zinc/98/96/78/1274989678.db2.gz RBFGRYSIUDSHNJ-SECBINFHSA-N 1 0 345.856 2.679 20 5 EFBDRO C[NH+]1CCC(NC(=S)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000746532003 1275013018 /nfs/dbraw/zinc/01/30/18/1275013018.db2.gz GVKSDPGYLVXEIX-UHFFFAOYSA-N 1 0 348.472 2.528 20 5 EFBDRO COc1ccc(OCC[NH2+]C(C)(C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000786156376 1275313551 /nfs/dbraw/zinc/31/35/51/1275313551.db2.gz IUHXTRBJKSQGGP-UHFFFAOYSA-N 1 0 338.404 2.777 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)CO1 ZINC000844389950 1278942986 /nfs/dbraw/zinc/94/29/86/1278942986.db2.gz BJSZAGDTLSICGG-AAEUAGOBSA-N 1 0 339.367 2.562 20 5 EFBDRO Cc1nc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001170059658 1275438156 /nfs/dbraw/zinc/43/81/56/1275438156.db2.gz QPJDSWMZZBGPEV-UHFFFAOYSA-N 1 0 331.214 2.543 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000786810761 1275549713 /nfs/dbraw/zinc/54/97/13/1275549713.db2.gz AKHKKLNFUPPFQX-RAXLEYEMSA-N 1 0 340.445 2.801 20 5 EFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787116781 1275657082 /nfs/dbraw/zinc/65/70/82/1275657082.db2.gz PCSLJUVJKJEKSL-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C23CCC(O)(CC2)CC3)c([N+](=O)[O-])c1 ZINC001170306225 1278976637 /nfs/dbraw/zinc/97/66/37/1278976637.db2.gz SJXZKHPCHWBJOM-NLNFPOJYSA-N 1 0 334.416 2.962 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC001170306242 1278977341 /nfs/dbraw/zinc/97/73/41/1278977341.db2.gz SXLSGLGYKHOVFS-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001170299753 1278983613 /nfs/dbraw/zinc/98/36/13/1278983613.db2.gz WCHIXYVZZHVCSK-CZUORRHYSA-N 1 0 341.411 2.924 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2cccnc2)c([N+](=O)[O-])c1 ZINC001170304314 1278988882 /nfs/dbraw/zinc/98/88/82/1278988882.db2.gz BJLKTIOJBAEBKN-CYBMUJFWSA-N 1 0 331.372 2.598 20 5 EFBDRO CCOC(CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])OCC ZINC001170304296 1278989465 /nfs/dbraw/zinc/98/94/65/1278989465.db2.gz BCZSQCRDQUJWPS-CYBMUJFWSA-N 1 0 340.420 2.913 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC001170305605 1278992015 /nfs/dbraw/zinc/99/20/15/1278992015.db2.gz NUTPAZSTGMWEPM-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305372 1278992076 /nfs/dbraw/zinc/99/20/76/1278992076.db2.gz JVDUHBUJYFLPAF-CYBMUJFWSA-N 1 0 343.383 2.763 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788121597 1276042409 /nfs/dbraw/zinc/04/24/09/1276042409.db2.gz RQCFAWVBQKYZDN-DZGCQCFKSA-N 1 0 343.383 2.789 20 5 EFBDRO COc1ccc(C[C@@H](C)n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170312703 1279007884 /nfs/dbraw/zinc/00/78/84/1279007884.db2.gz GVWPWPVZMSXENG-LLVKDONJSA-N 1 0 341.371 2.611 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2Oc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170318684 1279011172 /nfs/dbraw/zinc/01/11/72/1279011172.db2.gz ROKHHYWLQATOJO-GFCCVEGCSA-N 1 0 344.367 2.922 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170318325 1279012115 /nfs/dbraw/zinc/01/21/15/1279012115.db2.gz PAWFKDXSFNOZPW-HIFRSBDPSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC001170318310 1279012194 /nfs/dbraw/zinc/01/21/94/1279012194.db2.gz OQLFMYWGVZHTQZ-CYBMUJFWSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000788688332 1276259707 /nfs/dbraw/zinc/25/97/07/1276259707.db2.gz SJMOSEPGXXYVII-RISCZKNCSA-N 1 0 343.383 2.840 20 5 EFBDRO COc1ccc(C[C@@H](C)n2c(C[NH3+])nc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326109 1279018101 /nfs/dbraw/zinc/01/81/01/1279018101.db2.gz DWJJUYDPWUIXGG-LLVKDONJSA-N 1 0 341.371 2.611 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326382 1279018547 /nfs/dbraw/zinc/01/85/47/1279018547.db2.gz IFEQQAWMXMBEIE-YOEHRIQHSA-N 1 0 344.411 2.900 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@](O)(CF)C2)c([N+](=O)[O-])c1 ZINC001170327805 1279020061 /nfs/dbraw/zinc/02/00/61/1279020061.db2.gz HZTZNCYFPXNSFJ-DYVFJYSZSA-N 1 0 340.395 2.721 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@@H]2CCOC2)o1 ZINC000922939492 1276365528 /nfs/dbraw/zinc/36/55/28/1276365528.db2.gz PTCLSGMMIHYVDL-CQSZACIVSA-N 1 0 332.356 2.750 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3cnccc3C2)c([N+](=O)[O-])c1 ZINC001170329854 1279021488 /nfs/dbraw/zinc/02/14/88/1279021488.db2.gz VZBUAXMGZHPKGE-CYBMUJFWSA-N 1 0 327.384 2.988 20 5 EFBDRO C[NH2+]CCc1c(C)nn([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170352873 1279031533 /nfs/dbraw/zinc/03/15/33/1279031533.db2.gz SKWJHOFJQBGDCT-GFCCVEGCSA-N 1 0 346.431 2.982 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170309216 1279031573 /nfs/dbraw/zinc/03/15/73/1279031573.db2.gz PLFCFAZJBIVXCJ-XIKOKIGWSA-N 1 0 346.383 2.563 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017641 1276433926 /nfs/dbraw/zinc/43/39/26/1276433926.db2.gz LZSPYSYRTRZMLL-INIZCTEOSA-N 1 0 331.397 2.778 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170309213 1279032394 /nfs/dbraw/zinc/03/23/94/1279032394.db2.gz PLFCFAZJBIVXCJ-KPZWWZAWSA-N 1 0 346.383 2.563 20 5 EFBDRO CC[N@@H+]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001170355343 1279034157 /nfs/dbraw/zinc/03/41/57/1279034157.db2.gz AHHPNPUODOTVDM-AWEZNQCLSA-N 1 0 335.448 2.951 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923010221 1276519200 /nfs/dbraw/zinc/51/92/00/1276519200.db2.gz NLTZCVNJBWJNEB-UHFFFAOYSA-N 1 0 334.420 2.609 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522403 1276525021 /nfs/dbraw/zinc/52/50/21/1276525021.db2.gz SRXLRIAKOUPYKP-NOZJJQNGSA-N 1 0 343.786 2.564 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818555329 1276533080 /nfs/dbraw/zinc/53/30/80/1276533080.db2.gz ZKALVXCQFVPQSN-AWEZNQCLSA-N 1 0 348.447 2.688 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000818554109 1276533144 /nfs/dbraw/zinc/53/31/44/1276533144.db2.gz ITCBCVKYYPDJAS-UHFFFAOYSA-N 1 0 340.383 2.559 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818555330 1276533261 /nfs/dbraw/zinc/53/32/61/1276533261.db2.gz ZKALVXCQFVPQSN-CQSZACIVSA-N 1 0 348.447 2.688 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2C1 ZINC000818564853 1276535352 /nfs/dbraw/zinc/53/53/52/1276535352.db2.gz OSWXWJGRPBDGMR-JTQLQIEISA-N 1 0 346.774 2.712 20 5 EFBDRO CC(C)Oc1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818961040 1276550653 /nfs/dbraw/zinc/55/06/53/1276550653.db2.gz NLSNKQGAVINEBC-INIZCTEOSA-N 1 0 331.372 2.600 20 5 EFBDRO CCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818963733 1276552364 /nfs/dbraw/zinc/55/23/64/1276552364.db2.gz ZDCSRXTXQFMUMG-QGZVFWFLSA-N 1 0 343.383 2.767 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1CC1(Cl)Cl)Nc1ccccc1[N+](=O)[O-] ZINC000818950712 1276556425 /nfs/dbraw/zinc/55/64/25/1276556425.db2.gz ZFYYGGYDTNKDLY-SECBINFHSA-N 1 0 332.187 2.707 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000818956396 1276558898 /nfs/dbraw/zinc/55/88/98/1276558898.db2.gz LAWXEDJKVGBDGV-KSSFIOAISA-N 1 0 329.400 2.743 20 5 EFBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818960833 1276559249 /nfs/dbraw/zinc/55/92/49/1276559249.db2.gz JVKVZDLGYILKBN-INIZCTEOSA-N 1 0 331.372 2.600 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000818978400 1276560951 /nfs/dbraw/zinc/56/09/51/1276560951.db2.gz JKVYZTZMHUBBER-KRWDZBQOSA-N 1 0 340.383 2.727 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000818980362 1276562376 /nfs/dbraw/zinc/56/23/76/1276562376.db2.gz IVFQLDKHUVJEAG-RBUKOAKNSA-N 1 0 343.427 2.829 20 5 EFBDRO Cc1ccc(OCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818991999 1276566348 /nfs/dbraw/zinc/56/63/48/1276566348.db2.gz MQGKARKRJYIVLQ-SFHVURJKSA-N 1 0 330.384 2.995 20 5 EFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818970327 1276573172 /nfs/dbraw/zinc/57/31/72/1276573172.db2.gz MVYXGXSNSQFITO-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974082 1276575960 /nfs/dbraw/zinc/57/59/60/1276575960.db2.gz CYGLNQGTELFJIX-JTOWHCCKSA-N 1 0 335.448 2.584 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974079 1276576220 /nfs/dbraw/zinc/57/62/20/1276576220.db2.gz CXXZLMBCXAOBEN-KRXQYRFLSA-N 1 0 335.448 2.584 20 5 EFBDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819040352 1276577661 /nfs/dbraw/zinc/57/76/61/1276577661.db2.gz WZYPABAKUYYBCP-INIZCTEOSA-N 1 0 331.372 2.602 20 5 EFBDRO Cc1ccccc1OCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819017571 1276591503 /nfs/dbraw/zinc/59/15/03/1276591503.db2.gz JRKGUOCBSIUURZ-QGZVFWFLSA-N 1 0 330.384 2.995 20 5 EFBDRO COCc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000819037334 1276596823 /nfs/dbraw/zinc/59/68/23/1276596823.db2.gz OEVPZEIFSGEAKC-KRWDZBQOSA-N 1 0 334.347 2.704 20 5 EFBDRO COc1cccc(OCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819086725 1276599692 /nfs/dbraw/zinc/59/96/92/1276599692.db2.gz WBIYGLPSXYBWIY-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819103897 1276610017 /nfs/dbraw/zinc/61/00/17/1276610017.db2.gz MIUUMNAOIUJEAO-DLBZAZTESA-N 1 0 344.367 2.750 20 5 EFBDRO CCOc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000819069264 1276618681 /nfs/dbraw/zinc/61/86/81/1276618681.db2.gz NZMOOFYZZOUKKE-MRXNPFEDSA-N 1 0 346.383 2.825 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000819072571 1276619829 /nfs/dbraw/zinc/61/98/29/1276619829.db2.gz FNXFVOFHSANJEB-LPHOPBHVSA-N 1 0 341.411 2.887 20 5 EFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819115685 1276637353 /nfs/dbraw/zinc/63/73/53/1276637353.db2.gz NUPLRFJIHKYQIK-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116676 1276638014 /nfs/dbraw/zinc/63/80/14/1276638014.db2.gz XEFYJAGRGDVVRC-CZUORRHYSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819171625 1276653927 /nfs/dbraw/zinc/65/39/27/1276653927.db2.gz KPKVZXBIOXEKSZ-INIZCTEOSA-N 1 0 330.384 2.741 20 5 EFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819176151 1276657397 /nfs/dbraw/zinc/65/73/97/1276657397.db2.gz CGARDGZHFJJICL-ACJLOTCBSA-N 1 0 330.384 2.945 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000819177197 1276659165 /nfs/dbraw/zinc/65/91/65/1276659165.db2.gz CIVYANLWMHQHFF-MRXNPFEDSA-N 1 0 344.367 2.579 20 5 EFBDRO CCOc1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819179281 1276660439 /nfs/dbraw/zinc/66/04/39/1276660439.db2.gz LBSBPMLAPNJMFO-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819182082 1276660651 /nfs/dbraw/zinc/66/06/51/1276660651.db2.gz HQLVBZQNOJYVFV-YJBOKZPZSA-N 1 0 335.448 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000819184423 1276664530 /nfs/dbraw/zinc/66/45/30/1276664530.db2.gz CYMSLVQUEGQKJT-OAHLLOKOSA-N 1 0 336.775 2.950 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000819194546 1276671615 /nfs/dbraw/zinc/67/16/15/1276671615.db2.gz RVAQEYXLINFXMM-OAHLLOKOSA-N 1 0 347.440 2.796 20 5 EFBDRO CC(C)(C)Oc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819201687 1276675865 /nfs/dbraw/zinc/67/58/65/1276675865.db2.gz UXFDPPZBEDJXFS-MRXNPFEDSA-N 1 0 345.399 2.990 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000819236352 1276678542 /nfs/dbraw/zinc/67/85/42/1276678542.db2.gz GVUUNWCJCLNWQI-GDIGMMSISA-N 1 0 343.427 2.909 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000819251067 1276685213 /nfs/dbraw/zinc/68/52/13/1276685213.db2.gz AIWFSUQVPLZNIW-JKSUJKDBSA-N 1 0 332.331 2.881 20 5 EFBDRO CCO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819266023 1276719102 /nfs/dbraw/zinc/71/91/02/1276719102.db2.gz KYOAZMVBOLRICG-ZWKOTPCHSA-N 1 0 330.384 2.996 20 5 EFBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170773472 1287238695 /nfs/dbraw/zinc/23/86/95/1287238695.db2.gz HKCQPLVEICLGHH-UGSOOPFHSA-N 1 0 344.418 2.928 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000819347997 1276737002 /nfs/dbraw/zinc/73/70/02/1276737002.db2.gz FBWPFIPQUMOGDQ-JQHSSLGASA-N 1 0 343.383 2.533 20 5 EFBDRO CO[C@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819345470 1276737586 /nfs/dbraw/zinc/73/75/86/1276737586.db2.gz GUQLRUXXAOFIRM-QZTJIDSGSA-N 1 0 330.384 2.780 20 5 EFBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819347835 1276737823 /nfs/dbraw/zinc/73/78/23/1276737823.db2.gz ODMDFQOUPGRRLD-GXFFZTMASA-N 1 0 349.214 2.508 20 5 EFBDRO CO[C@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819345472 1276737861 /nfs/dbraw/zinc/73/78/61/1276737861.db2.gz GUQLRUXXAOFIRM-ZWKOTPCHSA-N 1 0 330.384 2.780 20 5 EFBDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000789562518 1276852585 /nfs/dbraw/zinc/85/25/85/1276852585.db2.gz YHBKJYQVXDYDEW-HNNXBMFYSA-N 1 0 333.391 2.713 20 5 EFBDRO Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000819920817 1276948278 /nfs/dbraw/zinc/94/82/78/1276948278.db2.gz SGPCJZGLBWYJRY-HNNXBMFYSA-N 1 0 332.404 2.913 20 5 EFBDRO Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000819920820 1276948551 /nfs/dbraw/zinc/94/85/51/1276948551.db2.gz SGPCJZGLBWYJRY-OAHLLOKOSA-N 1 0 332.404 2.913 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000819942205 1276962398 /nfs/dbraw/zinc/96/23/98/1276962398.db2.gz FOUYYSOVAKNHHJ-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC001170306575 1279028041 /nfs/dbraw/zinc/02/80/41/1279028041.db2.gz XSNCWIWNZPBRFZ-LBPRGKRZSA-N 1 0 328.372 2.603 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncccc2OC)c([N+](=O)[O-])c1 ZINC001170306524 1279028137 /nfs/dbraw/zinc/02/81/37/1279028137.db2.gz WWQFLXKAEPXCMZ-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170306612 1279028304 /nfs/dbraw/zinc/02/83/04/1279028304.db2.gz YOIVCMRWGUDLGA-CYBMUJFWSA-N 1 0 345.399 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000820603191 1277263908 /nfs/dbraw/zinc/26/39/08/1277263908.db2.gz QFVDSSVVHLASHE-UHFFFAOYSA-N 1 0 328.372 2.921 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccnc2OC)c([N+](=O)[O-])c1 ZINC001170306984 1279030455 /nfs/dbraw/zinc/03/04/55/1279030455.db2.gz CLTMRVSKBLSDNY-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000820652705 1277267393 /nfs/dbraw/zinc/26/73/93/1277267393.db2.gz VETUJDDBHOFTDO-JTQLQIEISA-N 1 0 328.210 2.888 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000821007976 1277414846 /nfs/dbraw/zinc/41/48/46/1277414846.db2.gz SPPSJOVQAJQURQ-HOCLYGCPSA-N 1 0 331.416 2.768 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923271512 1277440598 /nfs/dbraw/zinc/44/05/98/1277440598.db2.gz SAAQCAIUWLHXDC-JZXOWHBKSA-N 1 0 345.443 2.859 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923289394 1277502948 /nfs/dbraw/zinc/50/29/48/1277502948.db2.gz PTUXILSYSDGMEC-QWRGUYRKSA-N 1 0 342.237 2.917 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790706295 1277735406 /nfs/dbraw/zinc/73/54/06/1277735406.db2.gz AUDNKTVKKWDMSF-UHFFFAOYSA-N 1 0 345.802 2.778 20 5 EFBDRO O=C(Cc1ccc(F)cc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175042197 1287303534 /nfs/dbraw/zinc/30/35/34/1287303534.db2.gz OPAFAXWCRKMHDO-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1F ZINC000790950588 1277874213 /nfs/dbraw/zinc/87/42/13/1277874213.db2.gz FWVYISQFTJVDLU-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170345221 1279050212 /nfs/dbraw/zinc/05/02/12/1279050212.db2.gz IEKOOFHIBDSEFG-GDBMZVCRSA-N 1 0 333.432 2.705 20 5 EFBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001170347949 1279054602 /nfs/dbraw/zinc/05/46/02/1279054602.db2.gz TVHAEGPBGABICU-CQSZACIVSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170348600 1279055732 /nfs/dbraw/zinc/05/57/32/1279055732.db2.gz YZTXQKZABWRJLR-JCKWVBRZSA-N 1 0 333.432 2.560 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001171166339 1279452755 /nfs/dbraw/zinc/45/27/55/1279452755.db2.gz UQDSUMZRSCZMOL-NSHDSACASA-N 1 0 344.346 2.509 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nccc(N)c3[N+](=O)[O-])c2c1 ZINC001171169259 1279491912 /nfs/dbraw/zinc/49/19/12/1279491912.db2.gz YKIOOONTWPZEHM-NSHDSACASA-N 1 0 325.372 2.714 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845502685 1279689140 /nfs/dbraw/zinc/68/91/40/1279689140.db2.gz MBUFSLBLGYOTPO-UHFFFAOYSA-N 1 0 344.818 2.825 20 5 EFBDRO COc1cc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000845736047 1279808265 /nfs/dbraw/zinc/80/82/65/1279808265.db2.gz OCVDIVRWSWAHAH-CYBMUJFWSA-N 1 0 336.388 2.941 20 5 EFBDRO CC(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000822495631 1289015305 /nfs/dbraw/zinc/01/53/05/1289015305.db2.gz KBQQVWOJZYWNHW-HNNXBMFYSA-N 1 0 327.469 2.695 20 5 EFBDRO C[C@H](COCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846072168 1280005133 /nfs/dbraw/zinc/00/51/33/1280005133.db2.gz CXGIRHLZANDYKX-CQSZACIVSA-N 1 0 333.432 2.968 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000846304795 1280109653 /nfs/dbraw/zinc/10/96/53/1280109653.db2.gz ZURNOEKFZHXMRD-BONVTDFDSA-N 1 0 338.795 2.841 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nnc2n1CCC2 ZINC000872020059 1287401856 /nfs/dbraw/zinc/40/18/56/1287401856.db2.gz CVDRXYHYDXQQDJ-SNVBAGLBSA-N 1 0 333.417 2.705 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCO[C@H](C)C1 ZINC000872033977 1287406683 /nfs/dbraw/zinc/40/66/83/1287406683.db2.gz KUOFGJVFCHNJRJ-CHWSQXEVSA-N 1 0 339.461 2.688 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)CC1(C)C ZINC001170453214 1280235273 /nfs/dbraw/zinc/23/52/73/1280235273.db2.gz FPJXWGDZPFSIJZ-UHFFFAOYSA-N 1 0 346.431 2.902 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000804471900 1280243811 /nfs/dbraw/zinc/24/38/11/1280243811.db2.gz RLTPCXSABGUGDI-ZDUSSCGKSA-N 1 0 334.376 2.958 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000804505670 1280247970 /nfs/dbraw/zinc/24/79/70/1280247970.db2.gz HIHXYPNJVKDJBY-CYBMUJFWSA-N 1 0 334.376 2.815 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872044456 1287409230 /nfs/dbraw/zinc/40/92/30/1287409230.db2.gz BHCQMCOIDNLSQA-LLVKDONJSA-N 1 0 335.433 2.821 20 5 EFBDRO Nc1ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000804537986 1280276492 /nfs/dbraw/zinc/27/64/92/1280276492.db2.gz DMJBCRRLYLTLCK-UHFFFAOYSA-N 1 0 348.447 2.872 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000804563955 1280287295 /nfs/dbraw/zinc/28/72/95/1280287295.db2.gz GMUISLKATLODLZ-OCCSQVGLSA-N 1 0 346.387 2.956 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000872051231 1287412254 /nfs/dbraw/zinc/41/22/54/1287412254.db2.gz GOFPSPXDETYKTO-SLEUVZQESA-N 1 0 339.461 2.686 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000815288176 1287413227 /nfs/dbraw/zinc/41/32/27/1287413227.db2.gz QOWVEQPBQZYIBY-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000872053131 1287413422 /nfs/dbraw/zinc/41/34/22/1287413422.db2.gz SFZIDAUDIRYMGA-LBPRGKRZSA-N 1 0 340.445 2.756 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Cl ZINC000815290621 1287413966 /nfs/dbraw/zinc/41/39/66/1287413966.db2.gz LPHSKYZRCCHSFL-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000872066087 1287417445 /nfs/dbraw/zinc/41/74/45/1287417445.db2.gz DMMQBQGLMUOVHW-FIXISWKDSA-N 1 0 326.418 2.507 20 5 EFBDRO Cc1noc(C(C)C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129920558 1280375503 /nfs/dbraw/zinc/37/55/03/1280375503.db2.gz LYFOWIBZXQPHHL-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001129964891 1280380692 /nfs/dbraw/zinc/38/06/92/1280380692.db2.gz DZMCMXSKKFOHIG-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001091350343 1280384282 /nfs/dbraw/zinc/38/42/82/1280384282.db2.gz MVFQMXRPNZESSQ-FZNQNYSPSA-N 1 0 348.447 2.552 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1cnn(C)n1 ZINC000872073804 1287420510 /nfs/dbraw/zinc/42/05/10/1287420510.db2.gz SLSPSFFRVYWFPP-LLVKDONJSA-N 1 0 335.433 2.729 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083870 1287423189 /nfs/dbraw/zinc/42/31/89/1287423189.db2.gz BRGSKUDBHAKVPO-JTQLQIEISA-N 1 0 327.406 2.666 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001091470966 1280760446 /nfs/dbraw/zinc/76/04/46/1280760446.db2.gz OUGINSXCMXFRHZ-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO CCc1cccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001130401291 1280808895 /nfs/dbraw/zinc/80/88/95/1280808895.db2.gz XXCBPRZAHWWKKM-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001110187773 1287457179 /nfs/dbraw/zinc/45/71/79/1287457179.db2.gz ZADPYVWJUJTLIC-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO CC(C)c1ncsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134983249 1287459505 /nfs/dbraw/zinc/45/95/05/1287459505.db2.gz NDYVLWSDHFZWQS-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170514102 1281175012 /nfs/dbraw/zinc/17/50/12/1281175012.db2.gz RFDBKADGJLQLPJ-UHFFFAOYSA-N 1 0 348.403 2.510 20 5 EFBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001130883763 1281259498 /nfs/dbraw/zinc/25/94/98/1281259498.db2.gz REFBEUVGDVJFAA-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CCc1cc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001147958017 1281377038 /nfs/dbraw/zinc/37/70/38/1281377038.db2.gz LBCBXTRZIVBCMD-UHFFFAOYSA-N 1 0 331.372 2.578 20 5 EFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000807681127 1281387683 /nfs/dbraw/zinc/38/76/83/1281387683.db2.gz ZBQGCJMVGSYAMV-SMDDNHRTSA-N 1 0 346.387 2.629 20 5 EFBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])oc1CC ZINC001147985767 1281390018 /nfs/dbraw/zinc/39/00/18/1281390018.db2.gz CFUQREBRGPQDIV-UHFFFAOYSA-N 1 0 345.399 2.832 20 5 EFBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001131093907 1281469343 /nfs/dbraw/zinc/46/93/43/1281469343.db2.gz FXLJHERPMLFAGA-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO CCOC1CC([N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000808213105 1281604392 /nfs/dbraw/zinc/60/43/92/1281604392.db2.gz CXVYIUGCWUDYSW-UHFFFAOYSA-N 1 0 330.388 2.915 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000825594117 1287525519 /nfs/dbraw/zinc/52/55/19/1287525519.db2.gz DRGXPPBLMLZICS-AWEZNQCLSA-N 1 0 337.807 2.852 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1CCCC[NH2+]1 ZINC001171341259 1281813478 /nfs/dbraw/zinc/81/34/78/1281813478.db2.gz VNCFTBVHPHDQJD-SECBINFHSA-N 1 0 327.768 2.589 20 5 EFBDRO Cc1cc(C)cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001148993575 1281835619 /nfs/dbraw/zinc/83/56/19/1281835619.db2.gz WJKTZINFCPZMGK-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC2(CC2)CC1 ZINC001131422337 1281867926 /nfs/dbraw/zinc/86/79/26/1281867926.db2.gz XRQSIDYYMJVIHY-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC001131424188 1281869977 /nfs/dbraw/zinc/86/99/77/1281869977.db2.gz MBJMNYAPFCYQRN-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175736070 1287533376 /nfs/dbraw/zinc/53/33/76/1287533376.db2.gz PBOVIAGIKLFAIH-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO Cc1ccccc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175704381 1287539255 /nfs/dbraw/zinc/53/92/55/1287539255.db2.gz NEHRIHVLHFNTNF-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO [NH3+]CCN(Cc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000809734664 1282411128 /nfs/dbraw/zinc/41/11/28/1282411128.db2.gz JKSHWVZZWNBTEN-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO [NH3+]CCN(Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734624 1282411328 /nfs/dbraw/zinc/41/13/28/1282411328.db2.gz IWYGQTNIJRTCQS-UHFFFAOYSA-N 1 0 325.290 2.977 20 5 EFBDRO CCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000809734395 1282412891 /nfs/dbraw/zinc/41/28/91/1282412891.db2.gz CMSXLLUWKJCUQN-UHFFFAOYSA-N 1 0 345.399 2.967 20 5 EFBDRO COc1ccc(OC)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809735017 1282414128 /nfs/dbraw/zinc/41/41/28/1282414128.db2.gz QBGPZGVBMXWOMY-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO Cc1ccc(-c2n[nH]cc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809735286 1282414597 /nfs/dbraw/zinc/41/45/97/1282414597.db2.gz ZOQFARWCGTXNAB-UHFFFAOYSA-N 1 0 341.371 2.852 20 5 EFBDRO CCc1nn(C)c(Cl)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735171 1282414626 /nfs/dbraw/zinc/41/46/26/1282414626.db2.gz TVXKZMYAKSXOQP-UHFFFAOYSA-N 1 0 337.811 2.509 20 5 EFBDRO Cn1c(Cl)nc(Cl)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736014 1282435913 /nfs/dbraw/zinc/43/59/13/1282435913.db2.gz CISYBJNLBYPCQO-UHFFFAOYSA-N 1 0 344.202 2.600 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987877 1282715805 /nfs/dbraw/zinc/71/58/05/1282715805.db2.gz OZDGDAVANGZJKE-CMPLNLGQSA-N 1 0 346.214 2.906 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557362 1287594536 /nfs/dbraw/zinc/59/45/36/1287594536.db2.gz SCXINYNIXKRDSC-GFCCVEGCSA-N 1 0 338.371 2.609 20 5 EFBDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569537 1287601373 /nfs/dbraw/zinc/60/13/73/1287601373.db2.gz YBJVJSNITSYLIT-ZDUSSCGKSA-N 1 0 326.400 2.843 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cn2)CC1 ZINC001175899823 1287603176 /nfs/dbraw/zinc/60/31/76/1287603176.db2.gz AOBDJRPEVRTGFD-CMDGGOBGSA-N 1 0 339.399 2.824 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579725 1287609944 /nfs/dbraw/zinc/60/99/44/1287609944.db2.gz SZYIFDRPRIJINZ-LBPRGKRZSA-N 1 0 328.372 2.856 20 5 EFBDRO CC(C)N(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810244488 1283099370 /nfs/dbraw/zinc/09/93/70/1283099370.db2.gz FKRWFJJKCYPXEX-HNNXBMFYSA-N 1 0 334.464 2.882 20 5 EFBDRO Cc1cc(F)cc(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132236579 1283194772 /nfs/dbraw/zinc/19/47/72/1283194772.db2.gz UNSTXDCAPWKQKP-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO COc1cc([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])cc1F ZINC001171394917 1283248727 /nfs/dbraw/zinc/24/87/27/1283248727.db2.gz WLMDGMFHGYNIBG-SNVBAGLBSA-N 1 0 333.319 2.600 20 5 EFBDRO Cc1c(N2c3ccccc3OC[C@@H]2C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171399252 1283340610 /nfs/dbraw/zinc/34/06/10/1283340610.db2.gz GUAYKYLLMJMVTE-NSHDSACASA-N 1 0 344.327 2.669 20 5 EFBDRO CCOc1cc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001171397783 1283356231 /nfs/dbraw/zinc/35/62/31/1283356231.db2.gz QKUGYPHLFCHBNY-CYBMUJFWSA-N 1 0 329.356 2.851 20 5 EFBDRO CCOc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810848950 1283703093 /nfs/dbraw/zinc/70/30/93/1283703093.db2.gz XTZHBDVIFMXQKA-ZIAGYGMSSA-N 1 0 334.372 2.777 20 5 EFBDRO COc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000810840739 1283728325 /nfs/dbraw/zinc/72/83/25/1283728325.db2.gz IVQPNBJBMVVBAS-KGLIPLIRSA-N 1 0 334.372 2.695 20 5 EFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000810845410 1283731836 /nfs/dbraw/zinc/73/18/36/1283731836.db2.gz BYKHYACRMIPWMM-STQMWFEESA-N 1 0 329.356 2.860 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810847073 1283738505 /nfs/dbraw/zinc/73/85/05/1283738505.db2.gz MIWTXHZQXQMYLU-KBPBESRZSA-N 1 0 336.413 2.857 20 5 EFBDRO CCCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001132565171 1283959583 /nfs/dbraw/zinc/95/95/83/1283959583.db2.gz QRCWRWOOPAVZNC-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001158675067 1283997571 /nfs/dbraw/zinc/99/75/71/1283997571.db2.gz GPYVQPNPODWUSS-LBPRGKRZSA-N 1 0 334.754 2.753 20 5 EFBDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001158675066 1283998128 /nfs/dbraw/zinc/99/81/28/1283998128.db2.gz GPYVQPNPODWUSS-GFCCVEGCSA-N 1 0 334.754 2.753 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132697127 1284158632 /nfs/dbraw/zinc/15/86/32/1284158632.db2.gz NTDKFLFVYDJOBX-UHFFFAOYSA-N 1 0 330.388 2.566 20 5 EFBDRO CSC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000872628230 1287704208 /nfs/dbraw/zinc/70/42/08/1287704208.db2.gz RDUHELNSYGTBNO-UHFFFAOYSA-N 1 0 333.417 2.638 20 5 EFBDRO C[NH2+]C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCCC1 ZINC000872629621 1287706238 /nfs/dbraw/zinc/70/62/38/1287706238.db2.gz LPIFYYFYESAUKK-UHFFFAOYSA-N 1 0 332.404 2.814 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1coc(C(F)F)c1 ZINC001132947451 1284506815 /nfs/dbraw/zinc/50/68/15/1284506815.db2.gz RLADJICPXWACAX-UHFFFAOYSA-N 1 0 345.327 2.707 20 5 EFBDRO CCCCCC[N@H+](C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093802824 1284533578 /nfs/dbraw/zinc/53/35/78/1284533578.db2.gz PFLVOVVQZIYPIR-UHFFFAOYSA-N 1 0 336.436 2.635 20 5 EFBDRO Cc1cc(NCCNC(=O)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001093834334 1284552646 /nfs/dbraw/zinc/55/26/46/1284552646.db2.gz JPFSJXMWAMTZPQ-UHFFFAOYSA-N 1 0 348.447 2.552 20 5 EFBDRO Cc1ccc(NCCNC(=O)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001093834537 1284552899 /nfs/dbraw/zinc/55/28/99/1284552899.db2.gz WDQLEFYENINHDO-UHFFFAOYSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC001170653314 1284770561 /nfs/dbraw/zinc/77/05/61/1284770561.db2.gz SHIAIHJWZDFTES-UHFFFAOYSA-N 1 0 331.416 2.627 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811961448 1284782516 /nfs/dbraw/zinc/78/25/16/1284782516.db2.gz RWANSTORNWKKIU-GFCCVEGCSA-N 1 0 343.374 2.923 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812324215 1285051031 /nfs/dbraw/zinc/05/10/31/1285051031.db2.gz MOEKJGTXQDDKHG-QWHCGFSZSA-N 1 0 349.456 2.731 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1F ZINC001133308322 1285162921 /nfs/dbraw/zinc/16/29/21/1285162921.db2.gz DHTUZBDZHSOAGZ-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000716203876 1285171250 /nfs/dbraw/zinc/17/12/50/1285171250.db2.gz LVFNPNAASVGEFK-CZUORRHYSA-N 1 0 327.388 2.707 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094509394 1285216547 /nfs/dbraw/zinc/21/65/47/1285216547.db2.gz OEGZRORNMRTAJE-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170679566 1285222193 /nfs/dbraw/zinc/22/21/93/1285222193.db2.gz JWIMVTBFVYKMFZ-JTQLQIEISA-N 1 0 349.354 2.739 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094514166 1285240338 /nfs/dbraw/zinc/24/03/38/1285240338.db2.gz BTSDUIXPZFRNAG-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO CON(C)C(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000812778280 1285410046 /nfs/dbraw/zinc/41/00/46/1285410046.db2.gz DNWNFGLMEUDTJS-SDNWHVSQSA-N 1 0 347.415 2.730 20 5 EFBDRO CON(C)C(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000812778278 1285410360 /nfs/dbraw/zinc/41/03/60/1285410360.db2.gz DNWNFGLMEUDTJS-KAMYIIQDSA-N 1 0 347.415 2.730 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001171677381 1285711213 /nfs/dbraw/zinc/71/12/13/1285711213.db2.gz FRQCDTVGYKSPAX-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO COc1ccsc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171770413 1285776869 /nfs/dbraw/zinc/77/68/69/1285776869.db2.gz QCGQTBZCKOWBKR-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO COc1ccccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171826278 1285796820 /nfs/dbraw/zinc/79/68/20/1285796820.db2.gz QEBWRACZVDRFAK-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO COc1ccccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001171825989 1285796977 /nfs/dbraw/zinc/79/69/77/1285796977.db2.gz HPJXEMITIZSRCE-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001171844524 1285850967 /nfs/dbraw/zinc/85/09/67/1285850967.db2.gz NBKYVOHSIHJOTA-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC001171922727 1285922401 /nfs/dbraw/zinc/92/24/01/1285922401.db2.gz GUYXARNEWUBFPC-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c1C1CCC1 ZINC001133827411 1285993661 /nfs/dbraw/zinc/99/36/61/1285993661.db2.gz GPMHKJTXKWDLHY-UHFFFAOYSA-N 1 0 348.428 2.772 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000813613120 1286024427 /nfs/dbraw/zinc/02/44/27/1286024427.db2.gz BGUGPMXCQCZJTG-VIFPVBQESA-N 1 0 329.784 2.644 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000813619306 1286026458 /nfs/dbraw/zinc/02/64/58/1286026458.db2.gz RXWVKBMJJOWABT-HNNXBMFYSA-N 1 0 349.337 2.906 20 5 EFBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903276 1286308000 /nfs/dbraw/zinc/30/80/00/1286308000.db2.gz GJUPHFBNSXPCGU-RDJZCZTQSA-N 1 0 332.400 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccncc1)CC2 ZINC001172905289 1286308521 /nfs/dbraw/zinc/30/85/21/1286308521.db2.gz IAJPRSXIBYLKKF-WMZOPIPTSA-N 1 0 327.384 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccncc1)CC2 ZINC001172905287 1286309166 /nfs/dbraw/zinc/30/91/66/1286309166.db2.gz IAJPRSXIBYLKKF-FUHWJXTLSA-N 1 0 327.384 2.560 20 5 EFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904389 1286309356 /nfs/dbraw/zinc/30/93/56/1286309356.db2.gz MZPINFMKRVKEGT-CRAIPNDOSA-N 1 0 332.400 2.870 20 5 EFBDRO COCCN1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905562 1286310458 /nfs/dbraw/zinc/31/04/58/1286310458.db2.gz SBSHQYCYNLPSGX-KRWDZBQOSA-N 1 0 347.459 2.543 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000814107753 1286322104 /nfs/dbraw/zinc/32/21/04/1286322104.db2.gz SLWCEVCQYUSAHA-AWEZNQCLSA-N 1 0 333.432 2.863 20 5 EFBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC12CC2 ZINC001172913716 1286326262 /nfs/dbraw/zinc/32/62/62/1286326262.db2.gz UMCFAWGTSLPMFO-DOTOQJQBSA-N 1 0 344.411 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn3cccnc3n1)CC2 ZINC001172895987 1286327042 /nfs/dbraw/zinc/32/70/42/1286327042.db2.gz KLKGTIRZTABWLP-HNNXBMFYSA-N 1 0 337.383 2.675 20 5 EFBDRO Cc1cnc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172895444 1286327070 /nfs/dbraw/zinc/32/70/70/1286327070.db2.gz DLQYHBOUNWTUNW-INIZCTEOSA-N 1 0 326.400 2.773 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(N3CC(F)C3)CC1)CC2 ZINC001172916102 1286327945 /nfs/dbraw/zinc/32/79/45/1286327945.db2.gz QRHAYZQHAYWFRL-KRWDZBQOSA-N 1 0 347.434 2.960 20 5 EFBDRO CC(=O)N(C)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920952 1286328571 /nfs/dbraw/zinc/32/85/71/1286328571.db2.gz MSYAQAWMFJBYIT-GOSISDBHSA-N 1 0 345.443 2.785 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCOc1ccccn1)CC2 ZINC001172912941 1286352891 /nfs/dbraw/zinc/35/28/91/1286352891.db2.gz RXLBVTZYHAZUPX-INIZCTEOSA-N 1 0 327.384 2.906 20 5 EFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912264 1286353088 /nfs/dbraw/zinc/35/30/88/1286353088.db2.gz KFQTWFLOGSNSNT-QAPCUYQASA-N 1 0 332.400 2.727 20 5 EFBDRO O=C1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]2CCCN12 ZINC001172913138 1286354411 /nfs/dbraw/zinc/35/44/11/1286354411.db2.gz PDWKATYHRGLPCL-AEFFLSMTSA-N 1 0 343.427 2.539 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000103716491 1286377357 /nfs/dbraw/zinc/37/73/57/1286377357.db2.gz AOCVZCRITIVHKR-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCSCC3)CC2)c(F)c1 ZINC001173011990 1286383371 /nfs/dbraw/zinc/38/33/71/1286383371.db2.gz BNSBHJGRSFCHCD-UHFFFAOYSA-N 1 0 343.399 2.891 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1F ZINC001173174792 1286451077 /nfs/dbraw/zinc/45/10/77/1286451077.db2.gz BXDZPHUFMJWXLG-OSMZGAPFSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1F ZINC001173175528 1286451391 /nfs/dbraw/zinc/45/13/91/1286451391.db2.gz OXGOKKRGSFOAMQ-ZWNOBZJWSA-N 1 0 338.335 2.590 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(O)CCCC2)c1F ZINC001173174870 1286451538 /nfs/dbraw/zinc/45/15/38/1286451538.db2.gz DZAVSGRFTAXJPJ-NSHDSACASA-N 1 0 326.368 2.568 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nccs2)c1F ZINC001173174836 1286451567 /nfs/dbraw/zinc/45/15/67/1286451567.db2.gz DMKRWWSLSJOJAM-VIFPVBQESA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncc(F)c2)c1F ZINC001173175188 1286451599 /nfs/dbraw/zinc/45/15/99/1286451599.db2.gz AUCRDTMCXCVDST-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)c1F ZINC001173175866 1286452353 /nfs/dbraw/zinc/45/23/53/1286452353.db2.gz UDSQLXDPGXEUJY-TUAOUCFPSA-N 1 0 326.368 2.688 20 5 EFBDRO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176329 1286452606 /nfs/dbraw/zinc/45/26/06/1286452606.db2.gz HSZRURXJHCPKFJ-DMDPSCGWSA-N 1 0 328.384 2.670 20 5 EFBDRO CCOC(C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])OCC ZINC001173176643 1286452731 /nfs/dbraw/zinc/45/27/31/1286452731.db2.gz LEKCZOZBOOYVAI-LLVKDONJSA-N 1 0 344.383 2.662 20 5 EFBDRO COC[C@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173178309 1286454035 /nfs/dbraw/zinc/45/40/35/1286454035.db2.gz AOIPCRCVPKIUPP-NEPJUHHUSA-N 1 0 326.368 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1F ZINC001173180214 1286454749 /nfs/dbraw/zinc/45/47/49/1286454749.db2.gz JIKCYVICAHNKQY-QFSBIZTOSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](CO)CC2)c1F ZINC001173180044 1286455070 /nfs/dbraw/zinc/45/50/70/1286455070.db2.gz ICRXHIQWTZNJMR-OLZOCXBDSA-N 1 0 340.395 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1F ZINC001173184176 1286456051 /nfs/dbraw/zinc/45/60/51/1286456051.db2.gz DCSWGJSXCGSNTI-FRRDWIJNSA-N 1 0 339.411 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C)C[C@@H]2C)c1F ZINC001173184108 1286456061 /nfs/dbraw/zinc/45/60/61/1286456061.db2.gz LJMHHXKNGLWBHU-OBJOEFQTSA-N 1 0 339.411 2.603 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c1F ZINC001173182768 1286456135 /nfs/dbraw/zinc/45/61/35/1286456135.db2.gz TWBOBQMCIZMQEB-BWACUDIHSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1cccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173182163 1286456212 /nfs/dbraw/zinc/45/62/12/1286456212.db2.gz IIFXAMDGAIHTQY-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182763 1286456224 /nfs/dbraw/zinc/45/62/24/1286456224.db2.gz TVKIXWNOPWLLBZ-NWDGAFQWSA-N 1 0 326.368 2.784 20 5 EFBDRO COC(=O)CCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185310 1286456869 /nfs/dbraw/zinc/45/68/69/1286456869.db2.gz XWEGHAQFUZAVKE-NSHDSACASA-N 1 0 342.367 2.606 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOc2cccnc2)c1F ZINC001173190576 1286457482 /nfs/dbraw/zinc/45/74/82/1286457482.db2.gz YWHNERXATNEHQR-LBPRGKRZSA-N 1 0 349.362 2.737 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]2C[NH+](C)C)c1F ZINC001173190078 1286457780 /nfs/dbraw/zinc/45/77/80/1286457780.db2.gz PZZWOUVNOOQYLK-STQMWFEESA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccc2OC)c1F ZINC001173189385 1286457832 /nfs/dbraw/zinc/45/78/32/1286457832.db2.gz OVPNTFAVHGIAHX-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO CC[N@@H+]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001173191537 1286457877 /nfs/dbraw/zinc/45/78/77/1286457877.db2.gz CZSNWBIHSOVWOB-CHWSQXEVSA-N 1 0 339.411 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC([C@@H](C)OC)C2)c1F ZINC001173192798 1286458874 /nfs/dbraw/zinc/45/88/74/1286458874.db2.gz MWFCAFNJMUFEMY-GHMZBOCLSA-N 1 0 326.368 2.640 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CC[NH3+])c2ccccn2)c1F ZINC001173193317 1286459255 /nfs/dbraw/zinc/45/92/55/1286459255.db2.gz UQOCSWKNPXUHCM-LBPRGKRZSA-N 1 0 348.378 2.534 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001173214922 1286469608 /nfs/dbraw/zinc/46/96/08/1286469608.db2.gz RPCDJUZZAVNRLR-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173215625 1286470582 /nfs/dbraw/zinc/47/05/82/1286470582.db2.gz XLWNRCJEEYGAPC-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215862 1286470597 /nfs/dbraw/zinc/47/05/97/1286470597.db2.gz AOFRQFQOVXFTDJ-SCLBCKFNSA-N 1 0 330.384 2.858 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC001173216610 1286471279 /nfs/dbraw/zinc/47/12/79/1286471279.db2.gz DNQNZSJKFSCRAP-PBHICJAKSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1cccc(F)c1 ZINC001173220008 1286474020 /nfs/dbraw/zinc/47/40/20/1286474020.db2.gz RHDYZRGAIUCHLU-SUMWQHHRSA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001173220369 1286474189 /nfs/dbraw/zinc/47/41/89/1286474189.db2.gz ZHZHHKREVVJNFT-AWEZNQCLSA-N 1 0 337.383 2.896 20 5 EFBDRO O=C(CCCC(F)(F)F)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134229380 1286475679 /nfs/dbraw/zinc/47/56/79/1286475679.db2.gz IKEPSEWPNVROEM-UHFFFAOYSA-N 1 0 333.310 2.533 20 5 EFBDRO CCc1nnc2ccc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC001173224585 1286478853 /nfs/dbraw/zinc/47/88/53/1286478853.db2.gz NVPDEDYCNZOPJU-ZDUSSCGKSA-N 1 0 339.399 2.921 20 5 EFBDRO CCc1nnc2ccc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC001173224543 1286478992 /nfs/dbraw/zinc/47/89/92/1286478992.db2.gz NVPDEDYCNZOPJU-CYBMUJFWSA-N 1 0 339.399 2.921 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC001173224795 1286479006 /nfs/dbraw/zinc/47/90/06/1286479006.db2.gz PAKFMOYGZHQSSA-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227031 1286481711 /nfs/dbraw/zinc/48/17/11/1286481711.db2.gz MEHHXIIVAWWHOX-CQSZACIVSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001173228394 1286482186 /nfs/dbraw/zinc/48/21/86/1286482186.db2.gz VVSRNQRRFAFVOL-NVXWUHKLSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001173228643 1286482396 /nfs/dbraw/zinc/48/23/96/1286482396.db2.gz YLVISLLUOQHZSL-ZDUSSCGKSA-N 1 0 331.416 2.516 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)(CC1)C2 ZINC001173228839 1286482422 /nfs/dbraw/zinc/48/24/22/1286482422.db2.gz KTANHBDRULIKPR-NLNFPOJYSA-N 1 0 332.400 2.991 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001173228642 1286482473 /nfs/dbraw/zinc/48/24/73/1286482473.db2.gz YLVISLLUOQHZSL-CYBMUJFWSA-N 1 0 331.416 2.516 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231198 1286482934 /nfs/dbraw/zinc/48/29/34/1286482934.db2.gz YMEMBFIOJFXHDK-KUHUBIRLSA-N 1 0 344.411 2.995 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229650 1286483221 /nfs/dbraw/zinc/48/32/21/1286483221.db2.gz OQCQVNXKMPKNAH-AUUYWEPGSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC001173231839 1286483420 /nfs/dbraw/zinc/48/34/20/1286483420.db2.gz NPGDPYYYPKBCPR-AWEZNQCLSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001173232309 1286483516 /nfs/dbraw/zinc/48/35/16/1286483516.db2.gz DRVHVQGXUBVLQG-CYBMUJFWSA-N 1 0 327.384 2.727 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001173235328 1286484104 /nfs/dbraw/zinc/48/41/04/1286484104.db2.gz WCJPMACZXOBGNL-MRXNPFEDSA-N 1 0 347.459 2.713 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001173234091 1286484126 /nfs/dbraw/zinc/48/41/26/1286484126.db2.gz MIRLRJFJIZJVJX-CYBMUJFWSA-N 1 0 344.367 2.923 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC001173233674 1286484762 /nfs/dbraw/zinc/48/47/62/1286484762.db2.gz LTVRIZWFRNLWCG-RHSMWYFYSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nnc2ccccn21 ZINC001173210315 1286485390 /nfs/dbraw/zinc/48/53/90/1286485390.db2.gz ITGYMFZNVBEODT-CHWSQXEVSA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC001173210030 1286485933 /nfs/dbraw/zinc/48/59/33/1286485933.db2.gz GTDFFAUPTLADBO-GFCCVEGCSA-N 1 0 335.404 2.735 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001173238319 1286496207 /nfs/dbraw/zinc/49/62/07/1286496207.db2.gz PHWBACCWTURABT-LRDDRELGSA-N 1 0 346.362 2.608 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC001173238570 1286496414 /nfs/dbraw/zinc/49/64/14/1286496414.db2.gz VQDJSZJYBCQEPQ-WMLDXEAASA-N 1 0 326.400 2.789 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(F)c1 ZINC001134301645 1286543551 /nfs/dbraw/zinc/54/35/51/1286543551.db2.gz FGMXJAWAKPCUML-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001134302143 1286543837 /nfs/dbraw/zinc/54/38/37/1286543837.db2.gz LBENFOQGUWEKSS-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001134355674 1286589466 /nfs/dbraw/zinc/58/94/66/1286589466.db2.gz BDTPDYQEKHEKDG-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001134357409 1286590847 /nfs/dbraw/zinc/59/08/47/1286590847.db2.gz YUJIMOYSLCLSBY-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO CCOc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001134385150 1286632098 /nfs/dbraw/zinc/63/20/98/1286632098.db2.gz PSFCEGSXQHXYRJ-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001134367515 1286637882 /nfs/dbraw/zinc/63/78/82/1286637882.db2.gz IFLNRDVFVQCSAH-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001134367270 1286637897 /nfs/dbraw/zinc/63/78/97/1286637897.db2.gz CYQQUCBYXPXEJN-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001095246181 1286716270 /nfs/dbraw/zinc/71/62/70/1286716270.db2.gz GILCZCHFJNQDFB-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(F)(F)C(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001174738691 1287145557 /nfs/dbraw/zinc/14/55/57/1287145557.db2.gz VKFBUMZQBVRTIK-UHFFFAOYSA-N 1 0 349.403 2.934 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC001174738335 1287145667 /nfs/dbraw/zinc/14/56/67/1287145667.db2.gz ODGAEIOYLHGLOH-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871675076 1287202159 /nfs/dbraw/zinc/20/21/59/1287202159.db2.gz BQSWCBRHLCMGSA-CJNGLKHVSA-N 1 0 348.447 2.693 20 5 EFBDRO Cc1cc(Cc2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000822864379 1289143415 /nfs/dbraw/zinc/14/34/15/1289143415.db2.gz ZMZGRWLHSGLEFD-LSDHHAIUSA-N 1 0 342.399 2.980 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2c(N)c3cccnc3c3ncccc32)cn1 ZINC001176449551 1287987298 /nfs/dbraw/zinc/98/72/98/1287987298.db2.gz MABCHPQXUJAONH-UHFFFAOYSA-N 1 0 347.426 2.867 20 5 EFBDRO Cc1ccc(CCC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001176897430 1288182314 /nfs/dbraw/zinc/18/23/14/1288182314.db2.gz DGDMTZPITQZNIA-UHFFFAOYSA-N 1 0 345.399 2.725 20 5 EFBDRO NC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000816653553 1288229449 /nfs/dbraw/zinc/22/94/49/1288229449.db2.gz XYQYXCJFXFBJII-AWEZNQCLSA-N 1 0 333.775 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1Cl ZINC000816667566 1288236262 /nfs/dbraw/zinc/23/62/62/1288236262.db2.gz PXVRRKWSJVOCIU-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816891217 1288306562 /nfs/dbraw/zinc/30/65/62/1288306562.db2.gz LTSDLVHBEDPOID-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000796402227 1299218387 /nfs/dbraw/zinc/21/83/87/1299218387.db2.gz HXLDSYQPEVFHJH-ZDMBXUJBSA-N 1 0 343.836 2.916 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817486224 1288615170 /nfs/dbraw/zinc/61/51/70/1288615170.db2.gz YFONGKJACAQRLU-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000821847802 1288809203 /nfs/dbraw/zinc/80/92/03/1288809203.db2.gz JGKIYCGZTNUFNX-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822135159 1288890117 /nfs/dbraw/zinc/89/01/17/1288890117.db2.gz MEOPFQIEEUXMIM-CVEARBPZSA-N 1 0 331.416 2.689 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000903439408 1312682624 /nfs/dbraw/zinc/68/26/24/1312682624.db2.gz DPMVCDFANWRXHQ-CVYDXHPNSA-N 1 0 342.399 2.523 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000903439410 1312682650 /nfs/dbraw/zinc/68/26/50/1312682650.db2.gz DPMVCDFANWRXHQ-OVWQWFNUSA-N 1 0 342.399 2.523 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822532738 1289011815 /nfs/dbraw/zinc/01/18/15/1289011815.db2.gz AEHOSZQHCCOYTB-HUUCEWRRSA-N 1 0 327.469 2.696 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000823119447 1289214551 /nfs/dbraw/zinc/21/45/51/1289214551.db2.gz STHVBAYZWHLFIY-MMADZMRASA-N 1 0 331.416 2.687 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000823219115 1289246738 /nfs/dbraw/zinc/24/67/38/1289246738.db2.gz VUEBSSRLDMUBOB-LBPRGKRZSA-N 1 0 331.416 2.768 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000823252873 1289249441 /nfs/dbraw/zinc/24/94/41/1289249441.db2.gz HIUZQTDXTBBUJT-JTQLQIEISA-N 1 0 326.784 2.854 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000823414489 1289283662 /nfs/dbraw/zinc/28/36/62/1289283662.db2.gz HQMHILIOPMEQMU-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000823414488 1289283700 /nfs/dbraw/zinc/28/37/00/1289283700.db2.gz HQMHILIOPMEQMU-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO CCc1ccoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165966359 1312712010 /nfs/dbraw/zinc/71/20/10/1312712010.db2.gz AESRJXDCSQSBBD-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824003246 1289498095 /nfs/dbraw/zinc/49/80/95/1289498095.db2.gz UVCHSUUGIWSUIE-CYBMUJFWSA-N 1 0 349.435 2.811 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000824003189 1289498787 /nfs/dbraw/zinc/49/87/87/1289498787.db2.gz RUFOPRUVBGLRRY-AWEZNQCLSA-N 1 0 349.416 2.663 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994029 1289509863 /nfs/dbraw/zinc/50/98/63/1289509863.db2.gz NJERTCVSBISKAH-ZDUSSCGKSA-N 1 0 335.408 2.563 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000824002712 1289512828 /nfs/dbraw/zinc/51/28/28/1289512828.db2.gz FNFSKBCVCRYBOO-NWDGAFQWSA-N 1 0 335.408 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000873023812 1289527165 /nfs/dbraw/zinc/52/71/65/1289527165.db2.gz XLIAFMUBIVUUJU-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873053827 1289541735 /nfs/dbraw/zinc/54/17/35/1289541735.db2.gz HERPFCRPNWNBCE-GOSISDBHSA-N 1 0 346.383 2.744 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873058628 1289544295 /nfs/dbraw/zinc/54/42/95/1289544295.db2.gz HMGWLFCGQQMMOZ-UHFFFAOYSA-N 1 0 341.411 2.904 20 5 EFBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079838 1289556487 /nfs/dbraw/zinc/55/64/87/1289556487.db2.gz IKNLVWYYONTLSQ-RTBURBONSA-N 1 0 347.459 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000873128829 1289584114 /nfs/dbraw/zinc/58/41/14/1289584114.db2.gz AQQIWLLVERCVFO-RDTXWAMCSA-N 1 0 344.415 2.955 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824369648 1289631687 /nfs/dbraw/zinc/63/16/87/1289631687.db2.gz XPOZKNUUBLHJBE-BRSBDYLESA-N 1 0 343.427 2.831 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873296457 1289709688 /nfs/dbraw/zinc/70/96/88/1289709688.db2.gz GBJUWNLYVHFYSF-MLGOLLRUSA-N 1 0 326.400 2.542 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000873961537 1290139743 /nfs/dbraw/zinc/13/97/43/1290139743.db2.gz RIEGLMOGGQWSBJ-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CC[NH+](C2CC2)CC1 ZINC000803529160 1312765590 /nfs/dbraw/zinc/76/55/90/1312765590.db2.gz BCHKAFMWFKJKEU-UHFFFAOYSA-N 1 0 340.326 2.791 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000825727258 1290262217 /nfs/dbraw/zinc/26/22/17/1290262217.db2.gz LSFJWTVRSMRRRD-UHFFFAOYSA-N 1 0 325.796 2.724 20 5 EFBDRO O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c[nH+]cn2c1 ZINC000803531875 1312769336 /nfs/dbraw/zinc/76/93/36/1312769336.db2.gz AOURHWVMFUVMPB-UHFFFAOYSA-N 1 0 333.250 2.878 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825831188 1290730833 /nfs/dbraw/zinc/73/08/33/1290730833.db2.gz SJTGYIFCDIXGKD-HZPDHXFCSA-N 1 0 339.480 2.935 20 5 EFBDRO COc1ncnc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)c1[N+](=O)[O-] ZINC001166654554 1312811967 /nfs/dbraw/zinc/81/19/67/1312811967.db2.gz TZAWUAFLICRTBF-LBPRGKRZSA-N 1 0 339.355 2.762 20 5 EFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876657523 1290968919 /nfs/dbraw/zinc/96/89/19/1290968919.db2.gz GUQYMBWUTBUAIB-OAHLLOKOSA-N 1 0 333.432 2.950 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000876689830 1290980842 /nfs/dbraw/zinc/98/08/42/1290980842.db2.gz CEEQXAXEAZJEGJ-UHFFFAOYSA-N 1 0 331.416 2.798 20 5 EFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000876742855 1290999910 /nfs/dbraw/zinc/99/99/10/1290999910.db2.gz XLMWMZAKKRZOMU-HNNXBMFYSA-N 1 0 332.400 2.987 20 5 EFBDRO C[C@@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876916337 1291071446 /nfs/dbraw/zinc/07/14/46/1291071446.db2.gz AKBSUUDXIOVPNR-ZDUSSCGKSA-N 1 0 330.388 2.772 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](O)c2ccco2)cc1Br ZINC000876917867 1291072744 /nfs/dbraw/zinc/07/27/44/1291072744.db2.gz XFZFFRNBJOQZRU-VIFPVBQESA-N 1 0 347.190 2.835 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNc3ccccc3)CC2)cn1 ZINC000877076628 1291127040 /nfs/dbraw/zinc/12/70/40/1291127040.db2.gz ZKCNPUMXTSCFMR-UHFFFAOYSA-N 1 0 341.415 2.660 20 5 EFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877087785 1291131159 /nfs/dbraw/zinc/13/11/59/1291131159.db2.gz RRAVJUKTSLBHMN-PWSUYJOCSA-N 1 0 325.796 2.785 20 5 EFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877087786 1291131169 /nfs/dbraw/zinc/13/11/69/1291131169.db2.gz RRAVJUKTSLBHMN-ZYHUDNBSSA-N 1 0 325.796 2.785 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339405 1291198350 /nfs/dbraw/zinc/19/83/50/1291198350.db2.gz ZKVPPSCQXGDRDB-INIZCTEOSA-N 1 0 339.395 2.656 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000877927771 1291419938 /nfs/dbraw/zinc/41/99/38/1291419938.db2.gz DPFJPINNNFXKHF-SFHVURJKSA-N 1 0 344.415 2.545 20 5 EFBDRO N=c1sc2c(n1-c1ccc3ccc4cccnc4c3n1)CC[NH2+]C2 ZINC001166859235 1312855472 /nfs/dbraw/zinc/85/54/72/1312855472.db2.gz ABMVDCNGYKRFKM-UHFFFAOYSA-N 1 0 333.420 2.760 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878200337 1291552470 /nfs/dbraw/zinc/55/24/70/1291552470.db2.gz NKYIWVNJQUOVCP-LLVKDONJSA-N 1 0 334.401 2.972 20 5 EFBDRO Cc1ccc(-c2ccc(N3CC[C@H]([NH3+])C(F)(F)C3)nn2)cc1[N+](=O)[O-] ZINC001166959017 1312872317 /nfs/dbraw/zinc/87/23/17/1312872317.db2.gz PDJAMYSQGYHOTN-AWEZNQCLSA-N 1 0 349.341 2.533 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000878571659 1291719527 /nfs/dbraw/zinc/71/95/27/1291719527.db2.gz YNZBEACZDQIPKW-CMPLNLGQSA-N 1 0 333.219 2.615 20 5 EFBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001114773607 1291902169 /nfs/dbraw/zinc/90/21/69/1291902169.db2.gz VIPMOPIOIKLYDX-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114779530 1291917973 /nfs/dbraw/zinc/91/79/73/1291917973.db2.gz MAJABNXLVDJOBI-SHTZXODSSA-N 1 0 348.447 2.633 20 5 EFBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1=CCSC1 ZINC000878998203 1291918899 /nfs/dbraw/zinc/91/88/99/1291918899.db2.gz MCJLQJFIBGGDEQ-UHFFFAOYSA-N 1 0 332.385 2.750 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC000796115281 1291987725 /nfs/dbraw/zinc/98/77/25/1291987725.db2.gz OWCOMRAXYCSCNF-UHFFFAOYSA-N 1 0 349.431 2.936 20 5 EFBDRO CC1(F)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000879382781 1292097997 /nfs/dbraw/zinc/09/79/97/1292097997.db2.gz PHJAHMIHFJKOFX-UHFFFAOYSA-N 1 0 327.331 2.887 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879521474 1292171012 /nfs/dbraw/zinc/17/10/12/1292171012.db2.gz NMAZTNWANBTVOU-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CC[NH+]([C@@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000826121670 1292241678 /nfs/dbraw/zinc/24/16/78/1292241678.db2.gz OJLJDBFPQFCUDC-AWEZNQCLSA-N 1 0 349.431 2.621 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](CF)C1 ZINC000880293538 1292439368 /nfs/dbraw/zinc/43/93/68/1292439368.db2.gz ANFFEHQPYZBITB-UWVGGRQHSA-N 1 0 329.759 2.867 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000775457156 1292545954 /nfs/dbraw/zinc/54/59/54/1292545954.db2.gz GGNOTFBCIFWOKZ-JTQLQIEISA-N 1 0 341.795 2.591 20 5 EFBDRO CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000888834800 1292618624 /nfs/dbraw/zinc/61/86/24/1292618624.db2.gz RXDOEXQFAMMQCL-KGLIPLIRSA-N 1 0 348.403 2.694 20 5 EFBDRO CC(=O)c1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)ccc1[N+](=O)[O-] ZINC001233496597 1312942763 /nfs/dbraw/zinc/94/27/63/1312942763.db2.gz XVJJUKAJFIRUNC-OAHLLOKOSA-N 1 0 348.399 2.820 20 5 EFBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000881818738 1293016172 /nfs/dbraw/zinc/01/61/72/1293016172.db2.gz SRMRVEUJTLXXSB-UHFFFAOYSA-N 1 0 331.351 2.600 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(Cl)cnc3[N+](=O)[O-])O2)CC1 ZINC001233712210 1312976688 /nfs/dbraw/zinc/97/66/88/1312976688.db2.gz CHHXVMBGNQDZOV-GFCCVEGCSA-N 1 0 341.795 2.665 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000775547823 1293052189 /nfs/dbraw/zinc/05/21/89/1293052189.db2.gz CFNMWUYBKWHKBP-LBPRGKRZSA-N 1 0 329.356 2.898 20 5 EFBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000882169515 1293117569 /nfs/dbraw/zinc/11/75/69/1293117569.db2.gz VEWHDVCYZNEIHS-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233753881 1312984476 /nfs/dbraw/zinc/98/44/76/1312984476.db2.gz PPQJINYHBHQXOG-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882725670 1293298431 /nfs/dbraw/zinc/29/84/31/1293298431.db2.gz YIEZZADCMMHGSO-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000882727270 1293299115 /nfs/dbraw/zinc/29/91/15/1293299115.db2.gz QNKYEVLZSQOHTF-CYBMUJFWSA-N 1 0 325.434 2.702 20 5 EFBDRO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000882811652 1293333455 /nfs/dbraw/zinc/33/34/55/1293333455.db2.gz BSQRXRSPBMFEOB-AWEZNQCLSA-N 1 0 329.404 2.520 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])CC(F)(F)F ZINC000883445220 1293596508 /nfs/dbraw/zinc/59/65/08/1293596508.db2.gz NTIVKSDCUSDSRX-UHFFFAOYSA-N 1 0 335.326 2.705 20 5 EFBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000883450874 1293597721 /nfs/dbraw/zinc/59/77/21/1293597721.db2.gz ADDJXYQQTORLAA-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000883450261 1293597791 /nfs/dbraw/zinc/59/77/91/1293597791.db2.gz HNHSTINLZANUNT-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000883450875 1293597861 /nfs/dbraw/zinc/59/78/61/1293597861.db2.gz ADDJXYQQTORLAA-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000883455698 1293599605 /nfs/dbraw/zinc/59/96/05/1293599605.db2.gz IURWIXHZISEUTK-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233902180 1313014970 /nfs/dbraw/zinc/01/49/70/1313014970.db2.gz QHKUWFCGHNMNOQ-JTQLQIEISA-N 1 0 332.316 2.524 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH2+]CCC12CCC2 ZINC000883563745 1293634730 /nfs/dbraw/zinc/63/47/30/1293634730.db2.gz XFZTUSMYCBTTSX-UHFFFAOYSA-N 1 0 338.795 2.998 20 5 EFBDRO CCOC(=O)c1cnc(C(F)(F)F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001233940069 1313022373 /nfs/dbraw/zinc/02/23/73/1313022373.db2.gz ZWGMZMZCYTVQMR-JTQLQIEISA-N 1 0 335.346 2.751 20 5 EFBDRO CC/C(C)=C/C(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001195760407 1294015493 /nfs/dbraw/zinc/01/54/93/1294015493.db2.gz BDUYQBHWPORIOZ-FYWRMAATSA-N 1 0 331.416 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1C ZINC000884266461 1294074474 /nfs/dbraw/zinc/07/44/74/1294074474.db2.gz VBWBYJUPCJOCTM-UHFFFAOYSA-N 1 0 325.368 2.745 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1C ZINC000884284315 1294081853 /nfs/dbraw/zinc/08/18/53/1294081853.db2.gz ILSCZMDAUMRZBB-INIZCTEOSA-N 1 0 339.395 2.828 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000884290771 1294083490 /nfs/dbraw/zinc/08/34/90/1294083490.db2.gz IYFCHUQBANXMJG-HNNXBMFYSA-N 1 0 331.416 2.673 20 5 EFBDRO Cc1[nH]c(C2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)[nH+]c1C ZINC000884705728 1294225731 /nfs/dbraw/zinc/22/57/31/1294225731.db2.gz GBNNAMANPJIGAR-UHFFFAOYSA-N 1 0 348.378 2.950 20 5 EFBDRO CC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000884855638 1294268232 /nfs/dbraw/zinc/26/82/32/1294268232.db2.gz MLJFEZKLKXQWEM-CYBMUJFWSA-N 1 0 340.383 2.908 20 5 EFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000884855886 1294269168 /nfs/dbraw/zinc/26/91/68/1294269168.db2.gz TVVQTWHAPOMBNL-NSHDSACASA-N 1 0 333.779 2.753 20 5 EFBDRO O=C(CCC(F)F)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001196546973 1294284156 /nfs/dbraw/zinc/28/41/56/1294284156.db2.gz BUYYWIGFTPMCEV-UHFFFAOYSA-N 1 0 341.358 2.674 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ccc1C(F)(F)F ZINC001234192366 1313078329 /nfs/dbraw/zinc/07/83/29/1313078329.db2.gz YVCFAVYBQFYBLE-SNVBAGLBSA-N 1 0 340.749 2.721 20 5 EFBDRO CC1CC[NH+](CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000136132805 1294489163 /nfs/dbraw/zinc/48/91/63/1294489163.db2.gz SLEHHDIMVUSRSH-UHFFFAOYSA-N 1 0 339.823 2.939 20 5 EFBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)c(OC)cc1Br ZINC001234201424 1313080540 /nfs/dbraw/zinc/08/05/40/1313080540.db2.gz ROAXIGKAOLQDHV-JTQLQIEISA-N 1 0 333.246 2.940 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886140567 1294726088 /nfs/dbraw/zinc/72/60/88/1294726088.db2.gz KMBIBUJPXGOZMU-CRAIPNDOSA-N 1 0 340.427 2.990 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234359889 1313112976 /nfs/dbraw/zinc/11/29/76/1313112976.db2.gz KKNNNWWVKFMZFC-AWEZNQCLSA-N 1 0 337.420 2.541 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(I)c1 ZINC001234398980 1313119472 /nfs/dbraw/zinc/11/94/72/1313119472.db2.gz QCIXHECQNISBCK-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001234409480 1313121881 /nfs/dbraw/zinc/12/18/81/1313121881.db2.gz AJBGLMPOROAWRI-CQSZACIVSA-N 1 0 336.388 2.564 20 5 EFBDRO C/C(=C\C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001234530809 1313148390 /nfs/dbraw/zinc/14/83/90/1313148390.db2.gz ZOAGURGEPPUFJO-SDNWHVSQSA-N 1 0 331.416 2.889 20 5 EFBDRO C[C@@H]1[NH2+]CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000903748114 1313159174 /nfs/dbraw/zinc/15/91/74/1313159174.db2.gz YVHSVJNVIWROHU-UWVGGRQHSA-N 1 0 328.210 2.540 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984563 1295571530 /nfs/dbraw/zinc/57/15/30/1295571530.db2.gz GXPULRSHJXABQH-GHMZBOCLSA-N 1 0 342.237 2.882 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903768221 1313180988 /nfs/dbraw/zinc/18/09/88/1313180988.db2.gz MCQFGHQHPYMSLC-UWVGGRQHSA-N 1 0 328.210 2.669 20 5 EFBDRO CCN1CCC[C@H](Oc2c(C(C)=O)ccc(NC(C)=O)c2[N+](=O)[O-])C1 ZINC001234684113 1313181853 /nfs/dbraw/zinc/18/18/53/1313181853.db2.gz OSCDUEUSDVJKQN-ZDUSSCGKSA-N 1 0 349.387 2.619 20 5 EFBDRO C[C@H](C[NH+](C)C)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234742932 1313187977 /nfs/dbraw/zinc/18/79/77/1313187977.db2.gz VTHKRYJGBYUPCD-SNVBAGLBSA-N 1 0 329.352 2.686 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cc(Br)cc1[N+](=O)[O-] ZINC001234876730 1313201687 /nfs/dbraw/zinc/20/16/87/1313201687.db2.gz JNMKRUAFFAUCMU-MRVPVSSYSA-O 1 0 334.190 2.536 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925228560 1296811491 /nfs/dbraw/zinc/81/14/91/1296811491.db2.gz ZWGOJVCIPXTYQU-PBHICJAKSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925237334 1296814174 /nfs/dbraw/zinc/81/41/74/1296814174.db2.gz JCZOLLYUXZDMGR-ZENOOKHLSA-N 1 0 334.420 2.637 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235252 1296814610 /nfs/dbraw/zinc/81/46/10/1296814610.db2.gz FMKIKHYEMBQGEU-KMFMINBZSA-N 1 0 346.431 2.782 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930103976 1297234111 /nfs/dbraw/zinc/23/41/11/1297234111.db2.gz KDEWQEHPBRQWQU-IAGOWNOFSA-N 1 0 331.416 2.691 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000776279937 1297354177 /nfs/dbraw/zinc/35/41/77/1297354177.db2.gz VCDXQKKMRHCOCS-LJQANCHMSA-N 1 0 347.459 2.826 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000932695424 1297445368 /nfs/dbraw/zinc/44/53/68/1297445368.db2.gz XXACRCMSLBGILA-BRWVUGGUSA-N 1 0 333.432 2.791 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000932695427 1297445411 /nfs/dbraw/zinc/44/54/11/1297445411.db2.gz XXACRCMSLBGILA-ZACQAIPSSA-N 1 0 333.432 2.791 20 5 EFBDRO C[C@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705549 1297507591 /nfs/dbraw/zinc/50/75/91/1297507591.db2.gz LBHOPAMDMFHVNS-MOROJQBDSA-N 1 0 327.384 2.677 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000778274203 1297583572 /nfs/dbraw/zinc/58/35/72/1297583572.db2.gz ZPOUOAOOMHJYIV-AWEZNQCLSA-N 1 0 343.374 2.779 20 5 EFBDRO CC[N@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000778275620 1297585660 /nfs/dbraw/zinc/58/56/60/1297585660.db2.gz LVVFUMKZIWVPMT-UHFFFAOYSA-N 1 0 329.347 2.533 20 5 EFBDRO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000778290165 1297596427 /nfs/dbraw/zinc/59/64/27/1297596427.db2.gz UOOSBKZTOIKACB-NSHDSACASA-N 1 0 343.374 2.779 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CC2 ZINC000935220038 1297619335 /nfs/dbraw/zinc/61/93/35/1297619335.db2.gz XJXXUHKQGCUXHB-IRXDYDNUSA-N 1 0 343.427 2.785 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935553605 1297642327 /nfs/dbraw/zinc/64/23/27/1297642327.db2.gz PIUPNGYEFHKXFI-JKSUJKDBSA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1nn(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000779858864 1298976155 /nfs/dbraw/zinc/97/61/55/1298976155.db2.gz AOICZHNNVGOPKZ-UHFFFAOYSA-N 1 0 335.452 2.645 20 5 EFBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796401076 1299166321 /nfs/dbraw/zinc/16/63/21/1299166321.db2.gz CJBOBRDUUOEBQE-LDYMZIIASA-N 1 0 329.809 2.528 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000851833089 1299422558 /nfs/dbraw/zinc/42/25/58/1299422558.db2.gz FWSKCWRAIJUFCT-YOEHRIQHSA-N 1 0 331.372 2.979 20 5 EFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851885858 1299449931 /nfs/dbraw/zinc/44/99/31/1299449931.db2.gz MRJCZAUYRYVZJP-NVXWUHKLSA-N 1 0 348.378 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776580335 1299626798 /nfs/dbraw/zinc/62/67/98/1299626798.db2.gz WYKADBPUNPQBIH-QZTJIDSGSA-N 1 0 346.358 2.841 20 5 EFBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588083 1299643013 /nfs/dbraw/zinc/64/30/13/1299643013.db2.gz KFJCJCSSBVBFEH-RBUKOAKNSA-N 1 0 344.411 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000776585991 1299650791 /nfs/dbraw/zinc/65/07/91/1299650791.db2.gz GMUOICBOLGMQMR-GVDBMIGSSA-N 1 0 346.383 2.809 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000776586070 1299651536 /nfs/dbraw/zinc/65/15/36/1299651536.db2.gz ITXONDLUJACUBL-GOSISDBHSA-N 1 0 330.384 2.513 20 5 EFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000776590147 1299687003 /nfs/dbraw/zinc/68/70/03/1299687003.db2.gz YQVXSHSNHUTVBP-MSOLQXFVSA-N 1 0 330.384 2.684 20 5 EFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000776590148 1299687359 /nfs/dbraw/zinc/68/73/59/1299687359.db2.gz YQVXSHSNHUTVBP-QZTJIDSGSA-N 1 0 330.384 2.684 20 5 EFBDRO COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000852443016 1299705656 /nfs/dbraw/zinc/70/56/56/1299705656.db2.gz HZSNKNNYDUTDET-MSOLQXFVSA-N 1 0 346.383 2.614 20 5 EFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000852444088 1299706450 /nfs/dbraw/zinc/70/64/50/1299706450.db2.gz SFTVHPKPWCSCDU-QZTJIDSGSA-N 1 0 346.383 2.614 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000852593342 1299774841 /nfs/dbraw/zinc/77/48/41/1299774841.db2.gz FHWVELXVYOOMAX-QZTJIDSGSA-N 1 0 334.416 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000776606129 1299791261 /nfs/dbraw/zinc/79/12/61/1299791261.db2.gz RWIHOIVPSBPVEC-HNNXBMFYSA-N 1 0 342.351 2.636 20 5 EFBDRO O=C1OCCN1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852723276 1299835878 /nfs/dbraw/zinc/83/58/78/1299835878.db2.gz QIKPQOKROTYSBV-UHFFFAOYSA-N 1 0 339.779 2.665 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852900577 1299931681 /nfs/dbraw/zinc/93/16/81/1299931681.db2.gz ZFJZWEVSWNRUBT-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO O=[N+]([O-])c1cn(C[NH+](CC2CC2)CC2CC2)nc1-c1ccccn1 ZINC000853496560 1300136692 /nfs/dbraw/zinc/13/66/92/1300136692.db2.gz IPTFBWRWHPTERE-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000853677264 1300225744 /nfs/dbraw/zinc/22/57/44/1300225744.db2.gz NDYXZMFJHPGSFJ-UHFFFAOYSA-N 1 0 339.823 2.579 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000853799387 1300284446 /nfs/dbraw/zinc/28/44/46/1300284446.db2.gz PFCIMLPTRNALSM-VIFPVBQESA-N 1 0 329.784 2.787 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000855158696 1300820051 /nfs/dbraw/zinc/82/00/51/1300820051.db2.gz HNPUOZXUKIFYTN-PPYMECGQSA-N 1 0 331.416 2.845 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855159106 1300820432 /nfs/dbraw/zinc/82/04/32/1300820432.db2.gz AWLISKKOBMRXCI-ZDUSSCGKSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855287666 1300889344 /nfs/dbraw/zinc/88/93/44/1300889344.db2.gz RKMVDNXDDSFCJQ-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776821855 1301018239 /nfs/dbraw/zinc/01/82/39/1301018239.db2.gz HHXDWDAUVOCUMI-GOEBONIOSA-N 1 0 349.431 2.984 20 5 EFBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000795430998 1301339265 /nfs/dbraw/zinc/33/92/65/1301339265.db2.gz MGQQGQOTDPJYFQ-GUYCJALGSA-N 1 0 328.368 2.911 20 5 EFBDRO O=[N+]([O-])c1nn(C[NH+](CC2CC2)CC2CC2)cc1Br ZINC000115514243 1313764222 /nfs/dbraw/zinc/76/42/22/1313764222.db2.gz MQPBGJXPZAMZQS-UHFFFAOYSA-N 1 0 329.198 2.633 20 5 EFBDRO CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861891047 1302234721 /nfs/dbraw/zinc/23/47/21/1302234721.db2.gz QEBKGUDUUWCBDR-UHFFFAOYSA-N 1 0 347.415 2.500 20 5 EFBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C)CC1 ZINC000861893766 1302236155 /nfs/dbraw/zinc/23/61/55/1302236155.db2.gz SBQYVTWRVVUBIU-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[C@H]1CN(CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861916872 1302247142 /nfs/dbraw/zinc/24/71/42/1302247142.db2.gz VUIPGQVTRVDBSL-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861952064 1302256058 /nfs/dbraw/zinc/25/60/58/1302256058.db2.gz DFDQFGNXVUEJDE-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097103788 1313854338 /nfs/dbraw/zinc/85/43/38/1313854338.db2.gz QOYFSWANKHRODE-HDJSIYSDSA-N 1 0 348.447 2.632 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794650629 1302900751 /nfs/dbraw/zinc/90/07/51/1302900751.db2.gz RRHFLWFDBORICE-QGZVFWFLSA-N 1 0 330.388 2.917 20 5 EFBDRO C[C@]1(O)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000794672551 1302911050 /nfs/dbraw/zinc/91/10/50/1302911050.db2.gz NTFBLQXVFWYWBI-KRWDZBQOSA-N 1 0 330.388 2.653 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864572396 1302982289 /nfs/dbraw/zinc/98/22/89/1302982289.db2.gz NHSAKCXRRJFXQO-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864693481 1303028019 /nfs/dbraw/zinc/02/80/19/1303028019.db2.gz NMRIJHUKCHQVAF-UHFFFAOYSA-N 1 0 337.395 2.608 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000864709163 1303033287 /nfs/dbraw/zinc/03/32/87/1303033287.db2.gz NMPOQQXARNCKKC-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000864877101 1303068348 /nfs/dbraw/zinc/06/83/48/1303068348.db2.gz JNILDSDJTLDQMH-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000864945115 1303094286 /nfs/dbraw/zinc/09/42/86/1303094286.db2.gz DUTIQNVTIAEYAA-ZDUSSCGKSA-N 1 0 337.395 2.515 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000865140713 1303174795 /nfs/dbraw/zinc/17/47/95/1303174795.db2.gz JIKXQPHRMPVUAT-HNNXBMFYSA-N 1 0 349.406 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000865345169 1303224007 /nfs/dbraw/zinc/22/40/07/1303224007.db2.gz WBUVACJVLWPLIC-SFHVURJKSA-N 1 0 346.358 2.750 20 5 EFBDRO C[NH+]1CCN(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865421146 1303248280 /nfs/dbraw/zinc/24/82/80/1303248280.db2.gz DTWDYEWTZWANPO-UHFFFAOYSA-N 1 0 333.219 2.561 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NCCC[NH2+]C2CCCCC2)cc1F ZINC000865433939 1303255811 /nfs/dbraw/zinc/25/58/11/1303255811.db2.gz PTHYBWSRCGYCLS-UHFFFAOYSA-N 1 0 325.384 2.951 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865462663 1303268721 /nfs/dbraw/zinc/26/87/21/1303268721.db2.gz OWWZFCVXOSIUEC-NEPJUHHUSA-N 1 0 325.384 2.759 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865608574 1303330545 /nfs/dbraw/zinc/33/05/45/1303330545.db2.gz XTHPWIRBPNIMOC-GFCCVEGCSA-N 1 0 325.384 2.616 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000865628016 1303340505 /nfs/dbraw/zinc/34/05/05/1303340505.db2.gz LRWLNRPNNXXOEC-WBMJQRKESA-N 1 0 349.406 2.679 20 5 EFBDRO C[NH+](C)CC1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCCC1 ZINC000865678385 1303362955 /nfs/dbraw/zinc/36/29/55/1303362955.db2.gz HMDMESOXUBREKB-UHFFFAOYSA-N 1 0 325.384 2.760 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097190935 1313909413 /nfs/dbraw/zinc/90/94/13/1313909413.db2.gz WWNSDCWQGAYCFN-GASCZTMLSA-N 1 0 346.431 2.530 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000865914666 1303451748 /nfs/dbraw/zinc/45/17/48/1303451748.db2.gz SKHXBZJPHSAZOL-CQSZACIVSA-N 1 0 339.411 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000865959971 1303471234 /nfs/dbraw/zinc/47/12/34/1303471234.db2.gz XTKCJVKDSKRJHU-CYBMUJFWSA-N 1 0 337.395 2.760 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866224182 1303571719 /nfs/dbraw/zinc/57/17/19/1303571719.db2.gz RKFCWWGPLZXLIK-KPZWWZAWSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000866279280 1303588893 /nfs/dbraw/zinc/58/88/93/1303588893.db2.gz NXIAFINQJSETHW-BLLLJJGKSA-N 1 0 341.452 2.692 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000866312251 1303599441 /nfs/dbraw/zinc/59/94/41/1303599441.db2.gz ZSTOXDQUXWONNH-CJNGLKHVSA-N 1 0 344.390 2.928 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc(CO)cc1 ZINC000866313676 1303600465 /nfs/dbraw/zinc/60/04/65/1303600465.db2.gz GAWXCPVZDFAPFK-ZDUSSCGKSA-N 1 0 332.375 2.990 20 5 EFBDRO Cc1nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121219489 1303786882 /nfs/dbraw/zinc/78/68/82/1303786882.db2.gz CPKKSZMKNUFUBC-OAHLLOKOSA-N 1 0 343.431 2.628 20 5 EFBDRO CC(C)(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000867763904 1303944645 /nfs/dbraw/zinc/94/46/45/1303944645.db2.gz FPXNMGBEIYIYIU-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941840 1304030136 /nfs/dbraw/zinc/03/01/36/1304030136.db2.gz KHVVIHWIWTTYQT-AEFFLSMTSA-N 1 0 343.358 2.712 20 5 EFBDRO C[C@H](CCc1ccccc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943318 1304031010 /nfs/dbraw/zinc/03/10/10/1304031010.db2.gz RGJPUUCNDVHSQB-KUHUBIRLSA-N 1 0 341.411 2.906 20 5 EFBDRO C[C@@H](CCc1ccccc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943317 1304031288 /nfs/dbraw/zinc/03/12/88/1304031288.db2.gz RGJPUUCNDVHSQB-IFXJQAMLSA-N 1 0 341.411 2.906 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948200 1304037349 /nfs/dbraw/zinc/03/73/49/1304037349.db2.gz ZTRJALVUZRGDBV-IEBWSBKVSA-N 1 0 339.395 2.881 20 5 EFBDRO Cc1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1C ZINC000867985154 1304059122 /nfs/dbraw/zinc/05/91/22/1304059122.db2.gz UZGDYPYJYCQGEC-IBGZPJMESA-N 1 0 341.411 2.744 20 5 EFBDRO Cc1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000867995858 1304067248 /nfs/dbraw/zinc/06/72/48/1304067248.db2.gz JYBDJBGFUTVYTN-MRXNPFEDSA-N 1 0 327.384 3.000 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000868161153 1304162595 /nfs/dbraw/zinc/16/25/95/1304162595.db2.gz QCHFXGOIVGRVMA-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO C[NH2+]CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001358167976 1335364327 /nfs/dbraw/zinc/36/43/27/1335364327.db2.gz MKPPEZKQUGHHHD-LBPRGKRZSA-N 1 0 325.434 2.532 20 5 EFBDRO CCC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000795064556 1304656016 /nfs/dbraw/zinc/65/60/16/1304656016.db2.gz KYTCPITUIRCOMK-UHFFFAOYSA-N 1 0 340.383 2.909 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000869266950 1304687311 /nfs/dbraw/zinc/68/73/11/1304687311.db2.gz GQOPKORPCLXFEV-AWEZNQCLSA-N 1 0 349.406 2.800 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869275020 1304692445 /nfs/dbraw/zinc/69/24/45/1304692445.db2.gz YFRNRXHDQZVBSE-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000869328901 1304722768 /nfs/dbraw/zinc/72/27/68/1304722768.db2.gz OHQLYWMITZXLFU-CQSZACIVSA-N 1 0 349.406 2.515 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000869801595 1304976530 /nfs/dbraw/zinc/97/65/30/1304976530.db2.gz JTYKXTCEHQNTHV-RDJZCZTQSA-N 1 0 347.459 2.706 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870960420 1305712132 /nfs/dbraw/zinc/71/21/32/1305712132.db2.gz ALZSKYYVWYEJSU-UHFFFAOYSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000871187620 1305875238 /nfs/dbraw/zinc/87/52/38/1305875238.db2.gz HJGJLUBZNGLHGN-MRXNPFEDSA-N 1 0 333.432 2.521 20 5 EFBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796551364 1306286140 /nfs/dbraw/zinc/28/61/40/1306286140.db2.gz XOFWCBZOVNEZHE-INIZCTEOSA-N 1 0 335.404 2.690 20 5 EFBDRO c1cnc2c(c1)ccc1c(-c3cnc(N4CC[NH2+]CC4)nc3)ccnc12 ZINC001241899722 1314162300 /nfs/dbraw/zinc/16/23/00/1314162300.db2.gz LGLKTMCWRASMHN-UHFFFAOYSA-N 1 0 342.406 2.650 20 5 EFBDRO c1cnc2c(c1)cc(-c1cnc(N3CC[NH2+]CC3)nc1)c1cccnc12 ZINC001241898904 1314162557 /nfs/dbraw/zinc/16/25/57/1314162557.db2.gz KWGYWHYKXNIBRY-UHFFFAOYSA-N 1 0 342.406 2.650 20 5 EFBDRO CC1(NC(=O)C2CCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045343659 1307258558 /nfs/dbraw/zinc/25/85/58/1307258558.db2.gz WBSZRGIUGYMDFZ-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000800311753 1307690430 /nfs/dbraw/zinc/69/04/30/1307690430.db2.gz MFDRCNBEFJSFSS-FMIVXFBMSA-N 1 0 339.395 2.904 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900408970 1308136165 /nfs/dbraw/zinc/13/61/65/1308136165.db2.gz CJCRRKHTTZSBOH-SNVBAGLBSA-N 1 0 343.786 2.847 20 5 EFBDRO CC(C)[NH+](Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1)C(C)C ZINC000900532526 1308268434 /nfs/dbraw/zinc/26/84/34/1308268434.db2.gz NEMCSYGPYXGLKC-UHFFFAOYSA-N 1 0 335.383 2.993 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)cn2)CC1 ZINC001210378925 1314324048 /nfs/dbraw/zinc/32/40/48/1314324048.db2.gz RLCPOSNEFPRTED-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000901271359 1310019918 /nfs/dbraw/zinc/01/99/18/1310019918.db2.gz MMLVPWKJPPGDJV-ZJUUUORDSA-N 1 0 343.786 2.942 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccccc1 ZINC000801860367 1311028146 /nfs/dbraw/zinc/02/81/46/1311028146.db2.gz KWTXCBMWYJGTRV-UHFFFAOYSA-N 1 0 346.362 2.525 20 5 EFBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000749692958 1311038002 /nfs/dbraw/zinc/03/80/02/1311038002.db2.gz UVTNBLJDNXDXNY-OLMNPRSZSA-N 1 0 335.448 2.728 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000801873606 1311040291 /nfs/dbraw/zinc/04/02/91/1311040291.db2.gz VXJGCWOABDKJEZ-UHFFFAOYSA-N 1 0 346.362 2.673 20 5 EFBDRO CC(C)(F)C(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222252379 1311105450 /nfs/dbraw/zinc/10/54/50/1311105450.db2.gz IZZZCBCOYZDAOR-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO CC(C)CC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222285443 1311110321 /nfs/dbraw/zinc/11/03/21/1311110321.db2.gz XOMTYOJPTAVVPJ-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751934973 1311141940 /nfs/dbraw/zinc/14/19/40/1311141940.db2.gz ULOUZJUODACEEC-RHSMWYFYSA-N 1 0 347.419 2.741 20 5 EFBDRO O=C(/C=C/C1CC1)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222730899 1311177634 /nfs/dbraw/zinc/17/76/34/1311177634.db2.gz KKGOMOJBFSOFOW-VMPITWQZSA-N 1 0 343.427 2.889 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CC[NH+](C2CC2)CC1 ZINC001222772827 1311182087 /nfs/dbraw/zinc/18/20/87/1311182087.db2.gz GEQWRSKNWXLMKL-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC1c2ccccc2-c2ccccc21 ZINC001222945111 1311201505 /nfs/dbraw/zinc/20/15/05/1311201505.db2.gz OIFDBBTULKJGMM-CQSZACIVSA-N 1 0 326.416 2.757 20 5 EFBDRO COC(=O)c1c(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001223298891 1311239664 /nfs/dbraw/zinc/23/96/64/1311239664.db2.gz WYNYCOMJZWLCBH-LAQFHYBYSA-N 1 0 348.399 2.628 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223427768 1311258967 /nfs/dbraw/zinc/25/89/67/1311258967.db2.gz UTLCLAPNNNOUAM-AJAORCOTSA-N 1 0 348.399 2.839 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223427769 1311259111 /nfs/dbraw/zinc/25/91/11/1311259111.db2.gz UTLCLAPNNNOUAM-PXALQNAGSA-N 1 0 348.399 2.839 20 5 EFBDRO COC(=O)[C@H](O[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223645682 1311286009 /nfs/dbraw/zinc/28/60/09/1311286009.db2.gz CIGBMXJLALISCL-XJKSGUPXSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001223690746 1311292631 /nfs/dbraw/zinc/29/26/31/1311292631.db2.gz NSEFSDWZTRCIAY-HALDLXJZSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1cc(COC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001223688166 1311292737 /nfs/dbraw/zinc/29/27/37/1311292737.db2.gz DCAXESBURMHSGH-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc(COC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC001223688440 1311292807 /nfs/dbraw/zinc/29/28/07/1311292807.db2.gz MAZAKNPSDJPYJQ-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO CC[NH+](CC)C[C@H](C)OCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001223909638 1311319552 /nfs/dbraw/zinc/31/95/52/1311319552.db2.gz OYYTWXCFHHSMMV-LBPRGKRZSA-N 1 0 326.393 2.859 20 5 EFBDRO COc1cc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC001223910023 1311320204 /nfs/dbraw/zinc/32/02/04/1311320204.db2.gz QHSNOFDFAGQBSA-WDNDVIMCSA-N 1 0 336.388 2.754 20 5 EFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782518268 1311367781 /nfs/dbraw/zinc/36/77/81/1311367781.db2.gz BRXFEIUGBKIWDI-SUMWQHHRSA-N 1 0 328.368 2.911 20 5 EFBDRO O=[N+]([O-])c1ccc(CCO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001224334575 1311377665 /nfs/dbraw/zinc/37/76/65/1311377665.db2.gz ZOXZKNNPCBPPIA-MAEOIBBWSA-N 1 0 334.416 2.797 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC001224504961 1311399791 /nfs/dbraw/zinc/39/97/91/1311399791.db2.gz JAALVGWEHLXWLL-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(C)C ZINC000112928578 1311402954 /nfs/dbraw/zinc/40/29/54/1311402954.db2.gz ZWFOEWXXTPSYOA-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](OCCC[N+](C)(C)C)[C@H](F)C1 ZINC001224617986 1311414349 /nfs/dbraw/zinc/41/43/49/1311414349.db2.gz BCZUYACNQFRUEN-HUUCEWRRSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](OCCC[N+](C)(C)C)CC1 ZINC001224619785 1311414383 /nfs/dbraw/zinc/41/43/83/1311414383.db2.gz QPJMIUHUMCJVCE-HUUCEWRRSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2OCCC[N+](C)(C)C)C1 ZINC001224619799 1311414910 /nfs/dbraw/zinc/41/49/10/1311414910.db2.gz QUSLNOUPOMVHNQ-YJBOKZPZSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(OCCC[N+](C)(C)C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001224624570 1311415405 /nfs/dbraw/zinc/41/54/05/1311415405.db2.gz XIRXVXYVEVFXID-GOSISDBHSA-N 1 0 346.447 2.988 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2OCC[N+](C)(C)C)C1 ZINC001224770833 1311432636 /nfs/dbraw/zinc/43/26/36/1311432636.db2.gz CMZKJXKIFBKREO-QAPCUYQASA-N 1 0 327.489 2.889 20 5 EFBDRO Cc1cc(-n2nnc3ccc(C[NH3+])cc32)nc2ccc([N+](=O)[O-])cc12 ZINC001159026631 1311436237 /nfs/dbraw/zinc/43/62/37/1311436237.db2.gz MTPGHPDZMGHFIU-UHFFFAOYSA-N 1 0 334.339 2.644 20 5 EFBDRO CC(C)(F)C(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159033555 1311437881 /nfs/dbraw/zinc/43/78/81/1311437881.db2.gz MKUIFVMMDDHFCL-UHFFFAOYSA-N 1 0 349.406 2.981 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC001225253293 1311495547 /nfs/dbraw/zinc/49/55/47/1311495547.db2.gz WOHKPQKRKWZYOS-QGZVFWFLSA-N 1 0 344.431 2.628 20 5 EFBDRO O=[N+]([O-])c1cc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)ccc1O ZINC001159343240 1311499336 /nfs/dbraw/zinc/49/93/36/1311499336.db2.gz CXPPZRJRNNXJON-UHFFFAOYSA-N 1 0 344.371 2.817 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3c(Cl)nccc3[N+](=O)[O-])O2)CC1 ZINC001225433412 1311522958 /nfs/dbraw/zinc/52/29/58/1311522958.db2.gz OZCRPQGAJQLMIG-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO C[C@H](Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159503764 1311528683 /nfs/dbraw/zinc/52/86/83/1311528683.db2.gz ZDTWDJNOZGBQNG-XPTSAGLGSA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@@H](Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH2+]CCO1 ZINC001159503761 1311528731 /nfs/dbraw/zinc/52/87/31/1311528731.db2.gz ZDTWDJNOZGBQNG-OTYXRUKQSA-N 1 0 336.779 2.585 20 5 EFBDRO [NH2+]=C(Cc1ccc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1)NO ZINC001225543232 1311540516 /nfs/dbraw/zinc/54/05/16/1311540516.db2.gz IPDKWVSCHDOPRV-MRXNPFEDSA-N 1 0 327.340 2.640 20 5 EFBDRO Cc1ccc(Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159554435 1311540627 /nfs/dbraw/zinc/54/06/27/1311540627.db2.gz BYAWNNYISVRHTJ-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO O=[N+]([O-])c1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)ccc1F ZINC001159567747 1311542577 /nfs/dbraw/zinc/54/25/77/1311542577.db2.gz LCJUZWCXVKRSRK-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001159630800 1311555636 /nfs/dbraw/zinc/55/56/36/1311555636.db2.gz DNFCNVXJGOWNHO-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225635061 1311557760 /nfs/dbraw/zinc/55/77/60/1311557760.db2.gz WOVQYMQSTKIEJV-ZFWWWQNUSA-N 1 0 328.372 2.989 20 5 EFBDRO Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658369 1311560921 /nfs/dbraw/zinc/56/09/21/1311560921.db2.gz GLFCTEIDQNSODM-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001225754119 1311572929 /nfs/dbraw/zinc/57/29/29/1311572929.db2.gz SOMBNKPZRHXKQX-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(F)c(F)cc3[N+](=O)[O-])O2)CC1 ZINC001225777286 1311575726 /nfs/dbraw/zinc/57/57/26/1311575726.db2.gz SFCKQUBLEGRZIW-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-])C2 ZINC001225889709 1311586583 /nfs/dbraw/zinc/58/65/83/1311586583.db2.gz TXXAVLCXWVHOLK-URLYPYJESA-N 1 0 325.296 2.646 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225894127 1311586974 /nfs/dbraw/zinc/58/69/74/1311586974.db2.gz DHLKUMDSTPZSTM-WDAIWFPHSA-N 1 0 339.323 2.751 20 5 EFBDRO COc1ccc(Nc2ccccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159813675 1311589360 /nfs/dbraw/zinc/58/93/60/1311589360.db2.gz AQXDSCXWLBOOHK-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cn1 ZINC001159858883 1311597974 /nfs/dbraw/zinc/59/79/74/1311597974.db2.gz ONJUFGYZARXCMJ-UHFFFAOYSA-N 1 0 333.779 2.796 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)c(F)cc(F)c1Cl ZINC001225999857 1311599711 /nfs/dbraw/zinc/59/97/11/1311599711.db2.gz FCPJNJPOWSDDSF-SSDOTTSWSA-N 1 0 343.177 2.634 20 5 EFBDRO O=C(CCc1ccsc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001159944624 1311613549 /nfs/dbraw/zinc/61/35/49/1311613549.db2.gz XJQOPHIWISARLD-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO O=C(CCc1ccsc1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001159944677 1311613872 /nfs/dbraw/zinc/61/38/72/1311613872.db2.gz ZQNVXSCFHONRSK-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO COc1cnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159947601 1311615101 /nfs/dbraw/zinc/61/51/01/1311615101.db2.gz NYGDEIAVZRCGJA-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001159957434 1311617107 /nfs/dbraw/zinc/61/71/07/1311617107.db2.gz SXEPYXORBSPZTA-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001159957401 1311617267 /nfs/dbraw/zinc/61/72/67/1311617267.db2.gz RNTYYPBOFSNJEP-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC001159963933 1311618236 /nfs/dbraw/zinc/61/82/36/1311618236.db2.gz UEXZJWVHLQAJDR-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)c1cccs1 ZINC001226168174 1311623340 /nfs/dbraw/zinc/62/33/40/1311623340.db2.gz PCHBSTPTQAHHGQ-AWEZNQCLSA-N 1 0 349.412 2.827 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226181543 1311625854 /nfs/dbraw/zinc/62/58/54/1311625854.db2.gz QJZUNONJDFNMPB-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO COC(=O)Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226216276 1311631541 /nfs/dbraw/zinc/63/15/41/1311631541.db2.gz HGOQCKHNQOSPKT-CQSZACIVSA-N 1 0 336.388 2.562 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ncc([N+](=O)[O-])cc3Cl)O2)CC1 ZINC001226256590 1311637631 /nfs/dbraw/zinc/63/76/31/1311637631.db2.gz UMRMFYXNYIEVND-LBPRGKRZSA-N 1 0 341.795 2.665 20 5 EFBDRO COc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160113624 1311646321 /nfs/dbraw/zinc/64/63/21/1311646321.db2.gz AAZXSCZXLFJOPA-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO Nc1ccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160141402 1311653411 /nfs/dbraw/zinc/65/34/11/1311653411.db2.gz MHQRJAWXCQKDNQ-GFCCVEGCSA-N 1 0 332.335 2.800 20 5 EFBDRO Cc1ccc(-c2ccc(NC[C@H]3CCCC[NH2+]3)nn2)cc1[N+](=O)[O-] ZINC001160146546 1311655437 /nfs/dbraw/zinc/65/54/37/1311655437.db2.gz BKEJUDUKGYPNPP-CQSZACIVSA-N 1 0 327.388 2.914 20 5 EFBDRO [NH3+]Cc1nccnc1Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001160246021 1311672429 /nfs/dbraw/zinc/67/24/29/1311672429.db2.gz SINROSFVWOCDTD-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001160337385 1311692691 /nfs/dbraw/zinc/69/26/91/1311692691.db2.gz AVQVTVSXCSKZPB-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226729197 1311714909 /nfs/dbraw/zinc/71/49/09/1311714909.db2.gz BPBXFQUTZKGHTR-XJKSGUPXSA-N 1 0 328.372 2.674 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC001226733310 1311715241 /nfs/dbraw/zinc/71/52/41/1311715241.db2.gz MGXUBHINRFWZPI-SCAQPMJSSA-N 1 0 340.383 2.959 20 5 EFBDRO O=C(/C=C\C1CC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226777782 1311721627 /nfs/dbraw/zinc/72/16/27/1311721627.db2.gz GMHKKNZARYTTJL-FPLPWBNLSA-N 1 0 329.400 2.642 20 5 EFBDRO COC(=O)c1scc(Br)c1O[C@@H](C)C[N+](C)(C)C ZINC001227129589 1311765645 /nfs/dbraw/zinc/76/56/45/1311765645.db2.gz NYSAUCKFLFBGBB-QMMMGPOBSA-N 1 0 337.259 2.771 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160738487 1311771735 /nfs/dbraw/zinc/77/17/35/1311771735.db2.gz MSAFJVBGGUQSDK-NRFANRHFSA-N 1 0 333.435 2.642 20 5 EFBDRO Cc1cc(Cl)nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738280 1311772011 /nfs/dbraw/zinc/77/20/11/1311772011.db2.gz SIYWNLUHFXPPSJ-HTQZYQBOSA-N 1 0 338.717 2.904 20 5 EFBDRO CC(C)Oc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160745346 1311773253 /nfs/dbraw/zinc/77/32/53/1311773253.db2.gz WECRRAQEPVUGQA-ZJUUUORDSA-N 1 0 348.325 2.729 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC[NH+]1CCC(F)(F)CC1 ZINC001160748874 1311774266 /nfs/dbraw/zinc/77/42/66/1311774266.db2.gz CZBNVLXAFPRHIO-UHFFFAOYSA-N 1 0 337.330 2.681 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160760072 1311776105 /nfs/dbraw/zinc/77/61/05/1311776105.db2.gz SKOVOLAWBGSFRN-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3nc4c(cccc4[N+](=O)[O-])o3)O2)CC1 ZINC001227238697 1311781263 /nfs/dbraw/zinc/78/12/63/1311781263.db2.gz QGHLABLCGIMRFF-GFCCVEGCSA-N 1 0 347.371 2.758 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001227257340 1311784049 /nfs/dbraw/zinc/78/40/49/1311784049.db2.gz WPQLFEZGHSHOEK-SECBINFHSA-N 1 0 330.182 2.615 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(I)ccc1F ZINC001227337799 1311795048 /nfs/dbraw/zinc/79/50/48/1311795048.db2.gz MZWREJKSZAQEHQ-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO Cc1nc(Cl)nc(OC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001227336328 1311795151 /nfs/dbraw/zinc/79/51/51/1311795151.db2.gz BLXJEODNIOMSLV-UHFFFAOYSA-N 1 0 328.800 2.988 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)c1ccccc1 ZINC001227691143 1311839705 /nfs/dbraw/zinc/83/97/05/1311839705.db2.gz MVNZVHMBMVBZOC-AWEZNQCLSA-N 1 0 341.371 2.938 20 5 EFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])c3nc[nH]c31)C2 ZINC001227690727 1311839973 /nfs/dbraw/zinc/83/99/73/1311839973.db2.gz KEPJTEUUEUZRNY-GDNZZTSVSA-N 1 0 331.376 2.649 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC001161025093 1311840791 /nfs/dbraw/zinc/84/07/91/1311840791.db2.gz BWTOPCBPTPJZOC-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001161135430 1311867208 /nfs/dbraw/zinc/86/72/08/1311867208.db2.gz GQCWJCBPZHEJOO-UHFFFAOYSA-N 1 0 337.401 2.721 20 5 EFBDRO O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1CC[NH2+]C2(CC2)C1 ZINC001161556521 1311914713 /nfs/dbraw/zinc/91/47/13/1311914713.db2.gz PSZMEEBBOUGDNC-UHFFFAOYSA-N 1 0 334.375 2.524 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2CCC([NH3+])(c3cccnc3)CC2)nc1Cl ZINC001161584359 1311922437 /nfs/dbraw/zinc/92/24/37/1311922437.db2.gz VHYUQSOATZHRSM-UHFFFAOYSA-N 1 0 347.806 2.801 20 5 EFBDRO O=C(COC1CCCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001161602046 1311926802 /nfs/dbraw/zinc/92/68/02/1311926802.db2.gz CYTQSSRGSNPAPU-UHFFFAOYSA-N 1 0 349.431 2.540 20 5 EFBDRO O=C(COC1CCCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001161602622 1311927078 /nfs/dbraw/zinc/92/70/78/1311927078.db2.gz TZBDAWYDBMXQQB-UHFFFAOYSA-N 1 0 349.431 2.540 20 5 EFBDRO CCCCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001228386334 1311939899 /nfs/dbraw/zinc/93/98/99/1311939899.db2.gz ZXAYGEFNPLVBMG-GFCCVEGCSA-N 1 0 346.394 2.506 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCCCC[NH+](C)C ZINC001161736785 1311962067 /nfs/dbraw/zinc/96/20/67/1311962067.db2.gz UVTXWPNLCJDEOQ-UHFFFAOYSA-N 1 0 329.784 2.789 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[N@@H+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC001228621041 1311971080 /nfs/dbraw/zinc/97/10/80/1311971080.db2.gz LEFVBFVBUVAYQV-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657755 1311976263 /nfs/dbraw/zinc/97/62/63/1311976263.db2.gz QNMVQRSSKVHAQX-CJNGLKHVSA-N 1 0 328.372 2.674 20 5 EFBDRO C[NH+](C)C1CCC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC001228803384 1312001869 /nfs/dbraw/zinc/00/18/69/1312001869.db2.gz AIOCQWBZRFJJQF-UHFFFAOYSA-N 1 0 332.356 2.953 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228803841 1312002119 /nfs/dbraw/zinc/00/21/19/1312002119.db2.gz NOHQUYPQQMUYFK-ATCWAGBWSA-N 1 0 344.367 2.810 20 5 EFBDRO O=c1oc2ccccc2c(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001228802831 1312002163 /nfs/dbraw/zinc/00/21/63/1312002163.db2.gz OSNBJUBZPPUXRD-UHFFFAOYSA-N 1 0 336.319 2.514 20 5 EFBDRO COc1cccc(C2(Nc3ncc(F)cc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161995216 1312024539 /nfs/dbraw/zinc/02/45/39/1312024539.db2.gz IQEKVEFGXVMSOD-UHFFFAOYSA-N 1 0 346.362 2.828 20 5 EFBDRO CC(=O)c1cccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001229137275 1312052618 /nfs/dbraw/zinc/05/26/18/1312052618.db2.gz CZUVSMKIRMTRSZ-SHTZXODSSA-N 1 0 348.399 2.820 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(C)cc(F)cc2[N+](=O)[O-])CC1 ZINC001229200386 1312061218 /nfs/dbraw/zinc/06/12/18/1312061218.db2.gz FMPWFGHXJZCUFZ-UHFFFAOYSA-N 1 0 326.368 2.922 20 5 EFBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001162220447 1312070271 /nfs/dbraw/zinc/07/02/71/1312070271.db2.gz SPHNYNAAHMNKBJ-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO COC(=O)c1cccc(Br)c1O[C@@H](C)C[N+](C)(C)C ZINC001229275819 1312071189 /nfs/dbraw/zinc/07/11/89/1312071189.db2.gz NADGIWQNOXPUSE-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1cnc(C[NH3+])c1 ZINC001162298285 1312083716 /nfs/dbraw/zinc/08/37/16/1312083716.db2.gz CRGFQDIRNINOBE-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229370353 1312085689 /nfs/dbraw/zinc/08/56/89/1312085689.db2.gz NVRNPKBUVQTICC-UHFFFAOYSA-N 1 0 346.387 2.885 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162351152 1312092880 /nfs/dbraw/zinc/09/28/80/1312092880.db2.gz VBHWGGJVBVOPQJ-QGZVFWFLSA-N 1 0 348.403 2.501 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452648 1312098846 /nfs/dbraw/zinc/09/88/46/1312098846.db2.gz VOFVMJWLRGSNDO-PBHICJAKSA-N 1 0 343.383 2.518 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162405641 1312099519 /nfs/dbraw/zinc/09/95/19/1312099519.db2.gz VVRFOXYHYFSVQY-IUCAKERBSA-N 1 0 327.768 2.717 20 5 EFBDRO O=C(C=C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048758710 1312109900 /nfs/dbraw/zinc/10/99/00/1312109900.db2.gz HEENHLMQSIAHIG-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO CC(C)=C(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048761628 1312113274 /nfs/dbraw/zinc/11/32/74/1312113274.db2.gz UDHHOTGWOUGXDT-GASCZTMLSA-N 1 0 347.390 2.748 20 5 EFBDRO O=C(C1=CCCC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048763559 1312115369 /nfs/dbraw/zinc/11/53/69/1312115369.db2.gz ZMJVDQXDMOTBMP-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ncc(Br)cc21 ZINC001229586502 1312117749 /nfs/dbraw/zinc/11/77/49/1312117749.db2.gz XTZNTZUMMZJVJS-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001162565882 1312125409 /nfs/dbraw/zinc/12/54/09/1312125409.db2.gz YFZKZUWQBCIMJL-UHFFFAOYSA-N 1 0 334.339 2.783 20 5 EFBDRO Cc1c(NC[C@@]2(F)CCCC[NH2+]C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162582285 1312129089 /nfs/dbraw/zinc/12/90/89/1312129089.db2.gz ABIFKZIZPUFOIB-CQSZACIVSA-N 1 0 326.328 2.705 20 5 EFBDRO Cc1c(NC[C@]2(F)CCCC[NH2+]C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162582284 1312129148 /nfs/dbraw/zinc/12/91/48/1312129148.db2.gz ABIFKZIZPUFOIB-AWEZNQCLSA-N 1 0 326.328 2.705 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229804166 1312143051 /nfs/dbraw/zinc/14/30/51/1312143051.db2.gz XCLBYIUQKDRHJT-GFCCVEGCSA-N 1 0 341.363 2.830 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc(C)c(OC)c2[N+](=O)[O-])C1 ZINC001229869377 1312152061 /nfs/dbraw/zinc/15/20/61/1312152061.db2.gz XPBCSHNBHLCBOV-NSHDSACASA-N 1 0 339.348 2.683 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162728546 1312161654 /nfs/dbraw/zinc/16/16/54/1312161654.db2.gz BSZQCWMAYZRCCO-OAHLLOKOSA-N 1 0 348.403 2.619 20 5 EFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001162779160 1312174259 /nfs/dbraw/zinc/17/42/59/1312174259.db2.gz VOMROHREMVCDQY-JTQLQIEISA-N 1 0 338.371 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc1-c1ccc(F)cc1 ZINC001162801193 1312178685 /nfs/dbraw/zinc/17/86/85/1312178685.db2.gz HIFQKXJGBPXCOK-BPLDGKMQSA-N 1 0 340.358 2.982 20 5 EFBDRO O=[N+]([O-])c1cccc2cnc(NCc3ccc4c(c3)CC[NH2+]C4)nc21 ZINC001162807999 1312180352 /nfs/dbraw/zinc/18/03/52/1312180352.db2.gz WMEVMYBFRXXSPX-UHFFFAOYSA-N 1 0 335.367 2.796 20 5 EFBDRO CN(C)c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001162810422 1312180889 /nfs/dbraw/zinc/18/08/89/1312180889.db2.gz SZICGPBLISVHLR-UHFFFAOYSA-N 1 0 326.400 2.919 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162850607 1312189120 /nfs/dbraw/zinc/18/91/20/1312189120.db2.gz RPZHAZKXFIISEI-ZDUSSCGKSA-N 1 0 341.367 2.793 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957856 1312211992 /nfs/dbraw/zinc/21/19/92/1312211992.db2.gz UFCDHMIKGRJCOR-LLVKDONJSA-N 1 0 340.811 2.604 20 5 EFBDRO CN(C)c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c([N+](=O)[O-])c1 ZINC001162964071 1312213418 /nfs/dbraw/zinc/21/34/18/1312213418.db2.gz XNBBEDFTTAJUJB-HNNXBMFYSA-N 1 0 348.447 2.622 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964755 1312213978 /nfs/dbraw/zinc/21/39/78/1312213978.db2.gz AMHKISGEXSKHBS-GFCCVEGCSA-N 1 0 341.358 2.834 20 5 EFBDRO Cc1cc(Cl)c(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163094000 1312239169 /nfs/dbraw/zinc/23/91/69/1312239169.db2.gz DRWDXFNDGLYRTC-NSHDSACASA-N 1 0 325.796 2.737 20 5 EFBDRO c1cnc2c(c1)cc(NCC[C@H]1CCOC13C[NH2+]C3)c1cccnc12 ZINC001163094559 1312239421 /nfs/dbraw/zinc/23/94/21/1312239421.db2.gz LAEIMTWKFIQWID-HNNXBMFYSA-N 1 0 334.423 2.964 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001163103321 1312241439 /nfs/dbraw/zinc/24/14/39/1312241439.db2.gz BSZZNPMIGHHAEG-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001163125355 1312245434 /nfs/dbraw/zinc/24/54/34/1312245434.db2.gz AUWNSODNPMSREZ-UHFFFAOYSA-N 1 0 349.222 2.575 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3ncnc4ccc([N+](=O)[O-])cc43)cn2)cc1 ZINC001163218339 1312266167 /nfs/dbraw/zinc/26/61/67/1312266167.db2.gz LMBHJEOOWHHDNT-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228976 1312270276 /nfs/dbraw/zinc/27/02/76/1312270276.db2.gz NGUUOTGIHHARFS-ZDUSSCGKSA-N 1 0 333.369 2.699 20 5 EFBDRO CC(=O)Nc1ccc(N[C@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163230264 1312270593 /nfs/dbraw/zinc/27/05/93/1312270593.db2.gz UOKQMSVHXFBOQK-ZDUSSCGKSA-N 1 0 332.385 2.871 20 5 EFBDRO CC(C)(C)c1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163268155 1312278519 /nfs/dbraw/zinc/27/85/19/1312278519.db2.gz AUUCCKUSODYWMG-SCLBCKFNSA-N 1 0 348.447 2.858 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163277670 1312280789 /nfs/dbraw/zinc/28/07/89/1312280789.db2.gz FSIKJLDEGFTQCM-NHYWBVRUSA-N 1 0 325.796 2.819 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2cccnc21 ZINC001163283842 1312282044 /nfs/dbraw/zinc/28/20/44/1312282044.db2.gz JOGLDJGIZKXUKR-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc2cnccc21 ZINC001163284601 1312282054 /nfs/dbraw/zinc/28/20/54/1312282054.db2.gz MMUSDYHFVQKTQK-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2cccnc21 ZINC001163283843 1312282147 /nfs/dbraw/zinc/28/21/47/1312282147.db2.gz JOGLDJGIZKXUKR-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO CCOc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163291467 1312283314 /nfs/dbraw/zinc/28/33/14/1312283314.db2.gz QTGLNUVSWNNSPD-SUMWQHHRSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccnc21 ZINC001163291073 1312283518 /nfs/dbraw/zinc/28/35/18/1312283518.db2.gz MBIXKTDWHGHADU-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccnc21 ZINC001163291072 1312283577 /nfs/dbraw/zinc/28/35/77/1312283577.db2.gz MBIXKTDWHGHADU-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO Cc1ccc2c(ccnc2N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163309177 1312286091 /nfs/dbraw/zinc/28/60/91/1312286091.db2.gz GVJDCGBWRSPBLK-ACJLOTCBSA-N 1 0 342.399 2.774 20 5 EFBDRO COc1ncnc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1[N+](=O)[O-] ZINC001163319219 1312288360 /nfs/dbraw/zinc/28/83/60/1312288360.db2.gz CWQDQTZPDRKKCI-CYBMUJFWSA-N 1 0 347.419 2.626 20 5 EFBDRO C[NH+]1CCC(Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC1 ZINC001230683884 1312311664 /nfs/dbraw/zinc/31/16/64/1312311664.db2.gz GVVXAMGIXGCAIX-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CC2)CCC1 ZINC001163404485 1312305906 /nfs/dbraw/zinc/30/59/06/1312305906.db2.gz NDPIEJZEKCMARW-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CC2)CCC1 ZINC001163409621 1312307240 /nfs/dbraw/zinc/30/72/40/1312307240.db2.gz IKSCYENFWJGRMV-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(C)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163458304 1312316624 /nfs/dbraw/zinc/31/66/24/1312316624.db2.gz CTUSFVMEDJVYSU-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)CCC1 ZINC001048988497 1312328706 /nfs/dbraw/zinc/32/87/06/1312328706.db2.gz DOAPJXAKOCQMLW-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO Cc1c(C)c(N2CCC[N@H+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001163826880 1312389784 /nfs/dbraw/zinc/38/97/84/1312389784.db2.gz MYHRRGWAFATFGZ-UHFFFAOYSA-N 1 0 341.415 2.714 20 5 EFBDRO Cc1ccnc(N2CCC(COCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001163880483 1312401126 /nfs/dbraw/zinc/40/11/26/1312401126.db2.gz YWMNUKRALPTVOG-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO COc1nc(C)nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001163896812 1312403655 /nfs/dbraw/zinc/40/36/55/1312403655.db2.gz JDILOJBBZOYVFM-UHFFFAOYSA-N 1 0 347.762 2.758 20 5 EFBDRO O=C(/C=C/C1CC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163940981 1312411861 /nfs/dbraw/zinc/41/18/61/1312411861.db2.gz VBVLAABJZRZPAW-VMPITWQZSA-N 1 0 343.427 2.937 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCCNC(=O)c1ccncc1 ZINC001163971883 1312418108 /nfs/dbraw/zinc/41/81/08/1312418108.db2.gz VLWNBKBVWBOGGB-UHFFFAOYSA-O 1 0 327.452 2.520 20 5 EFBDRO Cc1cc(C[NH3+])nn1-c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001163985496 1312420659 /nfs/dbraw/zinc/42/06/59/1312420659.db2.gz UQUBMSWCBPQLPX-UHFFFAOYSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164077479 1312442278 /nfs/dbraw/zinc/44/22/78/1312442278.db2.gz JIFFPYTUBDBOPE-ZJUUUORDSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001164077056 1312442602 /nfs/dbraw/zinc/44/26/02/1312442602.db2.gz HDLCXNUOWWKNEE-YPMHNXCESA-N 1 0 345.378 2.755 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164077476 1312442630 /nfs/dbraw/zinc/44/26/30/1312442630.db2.gz JIFFPYTUBDBOPE-UWVGGRQHSA-N 1 0 335.795 2.755 20 5 EFBDRO COCC[NH+]1CCC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231156192 1312444472 /nfs/dbraw/zinc/44/44/72/1312444472.db2.gz IFYJGWDBVNYBBL-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Oc1ccccc1O ZINC001231222959 1312456636 /nfs/dbraw/zinc/45/66/36/1312456636.db2.gz LZZDYSASGMVQSF-CQSZACIVSA-O 1 0 346.403 2.547 20 5 EFBDRO CN1CCC(CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)([NH+](C)C)CC1 ZINC001164211783 1312469250 /nfs/dbraw/zinc/46/92/50/1312469250.db2.gz TULWENVIRCDORK-UHFFFAOYSA-N 1 0 331.420 2.514 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C/c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001231295149 1312473561 /nfs/dbraw/zinc/47/35/61/1312473561.db2.gz LTYKPWBBTOXTJH-CMDGGOBGSA-N 1 0 343.383 2.839 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001164257945 1312480290 /nfs/dbraw/zinc/48/02/90/1312480290.db2.gz SACLPFJIMUHSLX-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@H]([NH3+])C1 ZINC001164280909 1312484050 /nfs/dbraw/zinc/48/40/50/1312484050.db2.gz LSWGBZZPCVBVKM-NSHDSACASA-N 1 0 333.779 2.551 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001231394974 1312486259 /nfs/dbraw/zinc/48/62/59/1312486259.db2.gz JJNIDWDPCHBOOJ-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001164426685 1312511709 /nfs/dbraw/zinc/51/17/09/1312511709.db2.gz RPVZDFCFUKATNO-UHFFFAOYSA-N 1 0 344.415 2.956 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164456588 1312517397 /nfs/dbraw/zinc/51/73/97/1312517397.db2.gz OFFBEZOFNUONBF-IUCAKERBSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164462815 1312518874 /nfs/dbraw/zinc/51/88/74/1312518874.db2.gz UQLBWHXSPQZYOK-NXEZZACHSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164472851 1312521221 /nfs/dbraw/zinc/52/12/21/1312521221.db2.gz ADBJELHVQGZFIJ-NWDGAFQWSA-N 1 0 345.378 2.755 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164473905 1312521271 /nfs/dbraw/zinc/52/12/71/1312521271.db2.gz KULJPUIFAXTRHC-ZJUUUORDSA-N 1 0 335.795 2.755 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164608738 1312549283 /nfs/dbraw/zinc/54/92/83/1312549283.db2.gz WJQCFJRMDVHZLA-ZDUSSCGKSA-N 1 0 332.791 2.664 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000903300293 1312551088 /nfs/dbraw/zinc/55/10/88/1312551088.db2.gz XXFPNSLBBIKTMX-GFOCRRMGSA-N 1 0 334.416 2.700 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001165074020 1312562933 /nfs/dbraw/zinc/56/29/33/1312562933.db2.gz IRHOOVNSJASBRK-CYBMUJFWSA-N 1 0 327.388 2.582 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001165073840 1312562963 /nfs/dbraw/zinc/56/29/63/1312562963.db2.gz WVMFVLOPSSRJCL-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO CSc1nc(Cl)nc(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001165090642 1312566282 /nfs/dbraw/zinc/56/62/82/1312566282.db2.gz ARMOTGBSGRCFLF-UHFFFAOYSA-N 1 0 345.856 2.681 20 5 EFBDRO Cc1cc(N2CC(C)([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165121640 1312572151 /nfs/dbraw/zinc/57/21/51/1312572151.db2.gz WXWPIPUCLMSSCW-UHFFFAOYSA-N 1 0 327.388 2.501 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903343796 1312584655 /nfs/dbraw/zinc/58/46/55/1312584655.db2.gz SGXIPPDVHGNZPJ-CRAIPNDOSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165202993 1312585300 /nfs/dbraw/zinc/58/53/00/1312585300.db2.gz QYAYBLILXQGLHM-KBPBESRZSA-N 1 0 341.415 2.671 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(-n3ncc4c3CC[NH2+]C4)ccc21 ZINC001165219519 1312588626 /nfs/dbraw/zinc/58/86/26/1312588626.db2.gz UIAZYXDJMCFCSP-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165242165 1312593722 /nfs/dbraw/zinc/59/37/22/1312593722.db2.gz UTVSIEXZUIJWSP-INIZCTEOSA-N 1 0 347.806 2.771 20 5 EFBDRO Cc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165264408 1312597826 /nfs/dbraw/zinc/59/78/26/1312597826.db2.gz CKAVYMODHMYUAZ-ZDUSSCGKSA-N 1 0 344.337 2.809 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[NH2+]CC[C@H]43)nn2)ccc1Cl ZINC001165297871 1312604911 /nfs/dbraw/zinc/60/49/11/1312604911.db2.gz KBNXLZGCUNROCZ-UONOGXRCSA-N 1 0 345.790 2.646 20 5 EFBDRO O=[N+]([O-])c1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165300865 1312605529 /nfs/dbraw/zinc/60/55/29/1312605529.db2.gz MDRVMEIMFJUYKI-LLVKDONJSA-N 1 0 330.310 2.643 20 5 EFBDRO Cc1cnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165301126 1312605814 /nfs/dbraw/zinc/60/58/14/1312605814.db2.gz RAWLPLVHNFTSTE-LBPRGKRZSA-N 1 0 344.337 2.952 20 5 EFBDRO O=[N+]([O-])c1cnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(F)c1 ZINC001165303786 1312606469 /nfs/dbraw/zinc/60/64/69/1312606469.db2.gz KXDBKFCVSXMCEE-NSHDSACASA-N 1 0 348.300 2.782 20 5 EFBDRO Cc1nc(Cl)nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165320240 1312608403 /nfs/dbraw/zinc/60/84/03/1312608403.db2.gz PZXIGUCNHWZJMX-GFCCVEGCSA-N 1 0 339.827 2.705 20 5 EFBDRO COc1cc(C)nc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165324292 1312609190 /nfs/dbraw/zinc/60/91/90/1312609190.db2.gz PZWSGBCHOLSSGC-AWEZNQCLSA-N 1 0 334.420 2.665 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCCCC34CC[NH2+]CC4)cnc2c1 ZINC001165333901 1312610807 /nfs/dbraw/zinc/61/08/07/1312610807.db2.gz APHVAEGDSKHYSF-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc1-c1ccc(F)cc1 ZINC001165397590 1312621094 /nfs/dbraw/zinc/62/10/94/1312621094.db2.gz WSCSXPXLRZJVCS-ZFWWWQNUSA-N 1 0 328.347 2.737 20 5 EFBDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1=O ZINC000903389075 1312624595 /nfs/dbraw/zinc/62/45/95/1312624595.db2.gz RMYGSRYDHGFTQF-BXUZGUMPSA-N 1 0 337.445 2.978 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165429097 1312628683 /nfs/dbraw/zinc/62/86/83/1312628683.db2.gz HIMHPGUNQIQCMD-YUMQZZPRSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165429086 1312628691 /nfs/dbraw/zinc/62/86/91/1312628691.db2.gz HIMHPGUNQIQCMD-HTQZYQBOSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165432535 1312629854 /nfs/dbraw/zinc/62/98/54/1312629854.db2.gz UKFKDCMWUXGXRQ-YUMQZZPRSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165432529 1312629976 /nfs/dbraw/zinc/62/99/76/1312629976.db2.gz UKFKDCMWUXGXRQ-HTQZYQBOSA-N 1 0 349.193 2.810 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(CCO)cc1 ZINC000903402879 1312635232 /nfs/dbraw/zinc/63/52/32/1312635232.db2.gz HOHOFJQMOJIEPM-ZDUSSCGKSA-N 1 0 330.384 2.989 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC001165559124 1312646737 /nfs/dbraw/zinc/64/67/37/1312646737.db2.gz ATAIPHKAMQOIKZ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000903416440 1312647223 /nfs/dbraw/zinc/64/72/23/1312647223.db2.gz SRQMNNXVOPTENT-HOTGVXAUSA-N 1 0 329.404 2.811 20 5 EFBDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232222599 1312651874 /nfs/dbraw/zinc/65/18/74/1312651874.db2.gz OEAOZQDRVXOYMO-DYESRHJHSA-N 1 0 349.434 2.878 20 5 EFBDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228928 1312652938 /nfs/dbraw/zinc/65/29/38/1312652938.db2.gz VRWPMMKNTHVSMQ-GOSISDBHSA-N 1 0 334.423 2.836 20 5 EFBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232227710 1312653321 /nfs/dbraw/zinc/65/33/21/1312653321.db2.gz MGLHPTODPWJPGK-KRWDZBQOSA-N 1 0 334.423 2.884 20 5 EFBDRO Cc1ccnc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1[N+](=O)[O-] ZINC001165669300 1312659901 /nfs/dbraw/zinc/65/99/01/1312659901.db2.gz JVEKBAUKMCJGOC-CQSZACIVSA-N 1 0 348.447 2.814 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccnc1N1CC[NH+](C)CC1 ZINC001211285350 1314469639 /nfs/dbraw/zinc/46/96/39/1314469639.db2.gz FYUHXYFXPJJIJJ-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO CCOC(=O)c1cc(Nc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])c1 ZINC001211369738 1314486422 /nfs/dbraw/zinc/48/64/22/1314486422.db2.gz LQPJGSKTRXMIBT-UHFFFAOYSA-N 1 0 330.344 2.976 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001019962104 1314550444 /nfs/dbraw/zinc/55/04/44/1314550444.db2.gz JYAQFFIZZAFEMX-QAQDUYKDSA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019962365 1314550857 /nfs/dbraw/zinc/55/08/57/1314550857.db2.gz WEUVLKNWQBMIEL-SHTZXODSSA-N 1 0 345.424 2.636 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019989784 1314559744 /nfs/dbraw/zinc/55/97/44/1314559744.db2.gz RDVKAXDVUJMOGR-HAQNSBGRSA-N 1 0 335.385 2.608 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CC[C@H](C)C[NH2+]2)c1F ZINC001246107009 1314583823 /nfs/dbraw/zinc/58/38/23/1314583823.db2.gz RUTUIXPUVZDKPP-RWMBFGLXSA-N 1 0 339.411 2.651 20 5 EFBDRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001020086087 1314605687 /nfs/dbraw/zinc/60/56/87/1314605687.db2.gz QNBDWGVPGVUDOB-JOCQHMNTSA-N 1 0 349.412 2.537 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020125542 1314622389 /nfs/dbraw/zinc/62/23/89/1314622389.db2.gz WRTKAZCGLRQEPX-HDJSIYSDSA-N 1 0 342.399 2.536 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1sccc1F ZINC001020126233 1314622589 /nfs/dbraw/zinc/62/25/89/1314622589.db2.gz HOPRJJATWAOICW-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001020136022 1314626803 /nfs/dbraw/zinc/62/68/03/1314626803.db2.gz PEQQDWNLOIVWPQ-HDJSIYSDSA-N 1 0 335.429 2.894 20 5 EFBDRO C[C@H]1CC[C@H](CN)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246558085 1314648188 /nfs/dbraw/zinc/64/81/88/1314648188.db2.gz OHKNHNDCKRTYGG-KBXCAEBGSA-N 1 0 332.448 2.623 20 5 EFBDRO [NH3+][C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001246590537 1314653717 /nfs/dbraw/zinc/65/37/17/1314653717.db2.gz USNOJPOWMLHWFE-UONOGXRCSA-N 1 0 325.359 2.511 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1C=CC=CC=C1 ZINC001020202378 1314665026 /nfs/dbraw/zinc/66/50/26/1314665026.db2.gz BSDXKYDWXHYTSK-SHTZXODSSA-N 1 0 345.424 2.692 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001318274000 1328545006 /nfs/dbraw/zinc/54/50/06/1328545006.db2.gz QPYGPLZQLGXGDJ-UHFFFAOYSA-N 1 0 342.399 2.993 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246940153 1314711269 /nfs/dbraw/zinc/71/12/69/1314711269.db2.gz XIYBNUDUKCAISY-KBAYOESNSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952801 1314713635 /nfs/dbraw/zinc/71/36/35/1314713635.db2.gz WIJGHCHUAFVWNA-JQHSSLGASA-N 1 0 335.423 2.825 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C(C)C)[C@@H]2CC[NH2+]C2)c1F ZINC001246967765 1314717743 /nfs/dbraw/zinc/71/77/43/1314717743.db2.gz ONKFWSOUXWJXLB-CHWSQXEVSA-N 1 0 339.411 2.746 20 5 EFBDRO COCCCN([C@H]1CC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246979780 1314722409 /nfs/dbraw/zinc/72/24/09/1314722409.db2.gz PPZDYSVEFNKQEL-HKUYNNGSSA-N 1 0 347.459 2.543 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCN[C@@H](C(F)(F)F)C1)CC2 ZINC001246982766 1314723215 /nfs/dbraw/zinc/72/32/15/1314723215.db2.gz DDGOWTBIEPEBTE-UKRRQHHQSA-N 1 0 343.349 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCN[C@H](C(F)(F)F)C1)CC2 ZINC001246982765 1314723987 /nfs/dbraw/zinc/72/39/87/1314723987.db2.gz DDGOWTBIEPEBTE-HIFRSBDPSA-N 1 0 343.349 2.678 20 5 EFBDRO [NH3+]C[C@H]1CCC(F)(F)CN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246990669 1314725275 /nfs/dbraw/zinc/72/52/75/1314725275.db2.gz XHKIFKRZEFJENJ-GDBMZVCRSA-N 1 0 339.386 2.901 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH2+]C3=CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001246996784 1314727040 /nfs/dbraw/zinc/72/70/40/1314727040.db2.gz PMZVXTVYIDAUCE-SUMWQHHRSA-N 1 0 331.416 2.876 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH2+]C3=CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001246996783 1314727316 /nfs/dbraw/zinc/72/73/16/1314727316.db2.gz PMZVXTVYIDAUCE-GUYCJALGSA-N 1 0 331.416 2.876 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2cccc(F)c2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248217683 1314907360 /nfs/dbraw/zinc/90/73/60/1314907360.db2.gz VARXDDUVBHUMEV-CQSZACIVSA-N 1 0 342.330 2.896 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001216088800 1314910280 /nfs/dbraw/zinc/91/02/80/1314910280.db2.gz JLTYKCCCDDVQRH-UHFFFAOYSA-N 1 0 343.318 2.908 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216481712 1314960388 /nfs/dbraw/zinc/96/03/88/1314960388.db2.gz ZLFFCACWHHQJIT-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001249070335 1315016474 /nfs/dbraw/zinc/01/64/74/1315016474.db2.gz HGJRLVGLZJXAEC-UTLUCORTSA-N 1 0 335.339 2.671 20 5 EFBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249277604 1315043081 /nfs/dbraw/zinc/04/30/81/1315043081.db2.gz PXWMUFWMLTVDIP-OAHLLOKOSA-N 1 0 340.339 2.896 20 5 EFBDRO Cc1ncccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249279270 1315044229 /nfs/dbraw/zinc/04/42/29/1315044229.db2.gz WSALXKWRAOCRCR-CQSZACIVSA-N 1 0 325.328 2.591 20 5 EFBDRO [NH3+][C@@H](Cc1nnc(-c2cccc(F)c2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716218 1315105016 /nfs/dbraw/zinc/10/50/16/1315105016.db2.gz FUIHHKDCRIEDSO-CQSZACIVSA-N 1 0 342.330 2.896 20 5 EFBDRO COc1ccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217733186 1315107520 /nfs/dbraw/zinc/10/75/20/1315107520.db2.gz MQHKWMRMZSYNAD-OAHLLOKOSA-N 1 0 340.339 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)cc1Br ZINC001217950070 1315123865 /nfs/dbraw/zinc/12/38/65/1315123865.db2.gz OTPLEPLUQXUFJG-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO C[NH2+][C@H]1C[C@H](Oc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C1 ZINC001217955393 1315124574 /nfs/dbraw/zinc/12/45/74/1315124574.db2.gz SSMPTZTXFVSMLT-MGCOHNPYSA-N 1 0 341.205 2.975 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1Br ZINC001217972327 1315127180 /nfs/dbraw/zinc/12/71/80/1315127180.db2.gz OJDRUYSJFUAYSI-LDYMZIIASA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217971027 1315127266 /nfs/dbraw/zinc/12/72/66/1315127266.db2.gz DKNUJPCUHSGWEV-MWLCHTKSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218016937 1315134836 /nfs/dbraw/zinc/13/48/36/1315134836.db2.gz RDJQBOPSSKWCOH-MWLCHTKSSA-N 1 0 338.257 2.962 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218047045 1315138969 /nfs/dbraw/zinc/13/89/69/1315138969.db2.gz ANCGYDQXVYMUTB-JMCQJSRRSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)c2)c1 ZINC001218078117 1315144996 /nfs/dbraw/zinc/14/49/96/1315144996.db2.gz HRFMBKYQNRHESK-HKUYNNGSSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)c1 ZINC001218082873 1315145699 /nfs/dbraw/zinc/14/56/99/1315145699.db2.gz DMFAIKUBZYGFLQ-ATZDWAIDSA-N 1 0 340.379 2.875 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218084302 1315146440 /nfs/dbraw/zinc/14/64/40/1315146440.db2.gz MBPGUOAMFJUTPG-POZUXBRTSA-N 1 0 340.379 2.875 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218088576 1315147063 /nfs/dbraw/zinc/14/70/63/1315147063.db2.gz BEOXEFVHZDPOTG-RDJZCZTQSA-N 1 0 334.372 2.601 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218119435 1315151803 /nfs/dbraw/zinc/15/18/03/1315151803.db2.gz YMHILZHUHIZQIM-QWHCGFSZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218119432 1315151982 /nfs/dbraw/zinc/15/19/82/1315151982.db2.gz YMHILZHUHIZQIM-CHWSQXEVSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145127 1315154786 /nfs/dbraw/zinc/15/47/86/1315154786.db2.gz YGIIMEIWCYJOFO-BPYAMOTFSA-N 1 0 348.790 2.958 20 5 EFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CCC[NH2+]C1 ZINC001218288579 1315175366 /nfs/dbraw/zinc/17/53/66/1315175366.db2.gz ZDFCNADNTYXSCZ-LBPRGKRZSA-N 1 0 349.390 2.578 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Br ZINC001218316122 1315177662 /nfs/dbraw/zinc/17/76/62/1315177662.db2.gz LJANJZWWEDKQEM-NSHDSACASA-N 1 0 344.209 2.828 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001218321152 1315178209 /nfs/dbraw/zinc/17/82/09/1315178209.db2.gz AEBPZPWALPDZQL-RISCZKNCSA-N 1 0 340.351 2.629 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218399662 1315189885 /nfs/dbraw/zinc/18/98/85/1315189885.db2.gz BSHGFZOZNYBLDC-WPRPVWTQSA-N 1 0 328.752 2.554 20 5 EFBDRO C[C@H]1CC[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C[NH2+]1 ZINC001218406862 1315191213 /nfs/dbraw/zinc/19/12/13/1315191213.db2.gz JYNNIAIMPHRLMY-STQMWFEESA-N 1 0 333.391 2.958 20 5 EFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218424209 1315193962 /nfs/dbraw/zinc/19/39/62/1315193962.db2.gz MYDYZFBNCLQBDA-RISCZKNCSA-N 1 0 336.388 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218447600 1315197072 /nfs/dbraw/zinc/19/70/72/1315197072.db2.gz KAOZIYSATNSVOZ-JTQLQIEISA-N 1 0 342.220 2.869 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218448299 1315197336 /nfs/dbraw/zinc/19/73/36/1315197336.db2.gz MCOFUDXKYIQDDR-JMSVASOKSA-N 1 0 334.372 2.679 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1Br ZINC001218461802 1315200426 /nfs/dbraw/zinc/20/04/26/1315200426.db2.gz UGLPKZQNVVSBQI-GMOODISLSA-N 1 0 327.178 2.734 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001218463438 1315200438 /nfs/dbraw/zinc/20/04/38/1315200438.db2.gz HPMQYBCSTYODHA-VNHYZAJKSA-N 1 0 348.399 2.927 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001218463436 1315200479 /nfs/dbraw/zinc/20/04/79/1315200479.db2.gz HPMQYBCSTYODHA-UMVBOHGHSA-N 1 0 348.399 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218471385 1315201377 /nfs/dbraw/zinc/20/13/77/1315201377.db2.gz HABQXFLAPHISFK-DNSOKLHBSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218471388 1315201911 /nfs/dbraw/zinc/20/19/11/1315201911.db2.gz HABQXFLAPHISFK-YVZVNANGSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218471387 1315201928 /nfs/dbraw/zinc/20/19/28/1315201928.db2.gz HABQXFLAPHISFK-RGNHYFCHSA-N 1 0 345.168 2.873 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001218478351 1315202551 /nfs/dbraw/zinc/20/25/51/1315202551.db2.gz WIPCHDVYOJXWKX-IYYTYJHQSA-N 1 0 327.178 2.937 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001218484084 1315203340 /nfs/dbraw/zinc/20/33/40/1315203340.db2.gz NBRIFBOMSZWTPR-ABAIWWIYSA-N 1 0 336.388 2.927 20 5 EFBDRO COC(=O)c1cc(O[C@@H]2C[NH2+]Cc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001218491072 1315204500 /nfs/dbraw/zinc/20/45/00/1315204500.db2.gz VBNOUSUORCJUQV-MRXNPFEDSA-N 1 0 346.314 2.744 20 5 EFBDRO Cc1cc(N2CCOCC2)cc2[nH]c(CCC(C)(C)[N+](=O)[O-])nc21 ZINC001250597318 1315228991 /nfs/dbraw/zinc/22/89/91/1315228991.db2.gz OVQZFSAYKQUIDC-UHFFFAOYSA-N 1 0 332.404 2.696 20 5 EFBDRO C[C@@]1(CC(=O)Nc2cc3nc4ccccc4nc3cc2N)CC[NH2+]C1 ZINC001218857016 1315250903 /nfs/dbraw/zinc/25/09/03/1315250903.db2.gz HZLNSIBAZDPLKJ-IBGZPJMESA-N 1 0 335.411 2.693 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858283 1315252074 /nfs/dbraw/zinc/25/20/74/1315252074.db2.gz XGKPSAXTSDAXOM-NEPJUHHUSA-N 1 0 335.411 2.692 20 5 EFBDRO C[C@H]1CC[NH2+][C@@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001219254097 1315294540 /nfs/dbraw/zinc/29/45/40/1315294540.db2.gz UHDBERLXZLHKGD-BLLLJJGKSA-N 1 0 335.407 2.717 20 5 EFBDRO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1c2ccccc2cc2ccccc21 ZINC001219814844 1315347546 /nfs/dbraw/zinc/34/75/46/1315347546.db2.gz NRCKEQJWXTYHCF-JTSKRJEESA-N 1 0 346.430 2.959 20 5 EFBDRO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1cccc2nc3ccccc3nc21 ZINC001221408628 1315522704 /nfs/dbraw/zinc/52/27/04/1315522704.db2.gz BKRUEFNDBZQNQS-LJQANCHMSA-N 1 0 346.434 2.901 20 5 EFBDRO C[C@@]1(O)CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254464870 1315706452 /nfs/dbraw/zinc/70/64/52/1315706452.db2.gz LFQNRACXFGAUHZ-UJKQEGAGSA-N 1 0 333.432 2.847 20 5 EFBDRO CN1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466149 1315707162 /nfs/dbraw/zinc/70/71/62/1315707162.db2.gz VJNRSWMWLHQOBO-SFHVURJKSA-N 1 0 332.448 2.638 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1O ZINC001254474716 1315707556 /nfs/dbraw/zinc/70/75/56/1315707556.db2.gz UGGOVIOAYOFHIN-KDOFPFPSSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001254478789 1315707931 /nfs/dbraw/zinc/70/79/31/1315707931.db2.gz JKRWTMHTLZIKHJ-UHFFFAOYSA-N 1 0 344.459 2.591 20 5 EFBDRO CC[C@@]12C[C@@H](CO1)[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254480505 1315708283 /nfs/dbraw/zinc/70/82/83/1315708283.db2.gz HWAJYIQPHMZJAQ-ROUUACIJSA-N 1 0 331.416 2.817 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001254480881 1315709057 /nfs/dbraw/zinc/70/90/57/1315709057.db2.gz NQWLRGWGJLYCBQ-RDTXWAMCSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1 ZINC001254536636 1315721238 /nfs/dbraw/zinc/72/12/38/1315721238.db2.gz RIWPCSOBUWXIKM-GOEBONIOSA-N 1 0 330.384 2.555 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1nnc2ccccc21 ZINC001254539424 1315721380 /nfs/dbraw/zinc/72/13/80/1315721380.db2.gz HMSRMQCTPAAWEK-CYBMUJFWSA-N 1 0 325.372 2.560 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC001254541766 1315721707 /nfs/dbraw/zinc/72/17/07/1315721707.db2.gz JQPNGRSCZVSRAS-PBHICJAKSA-N 1 0 333.432 2.762 20 5 EFBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543239 1315721808 /nfs/dbraw/zinc/72/18/08/1315721808.db2.gz CXBRQJHWLRKSHH-LLVKDONJSA-N 1 0 331.372 2.733 20 5 EFBDRO COc1cccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254541232 1315721812 /nfs/dbraw/zinc/72/18/12/1315721812.db2.gz ZSAUMXBTENDJQW-RHSMWYFYSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(c2cccnc2)CC1 ZINC001254545390 1315722084 /nfs/dbraw/zinc/72/20/84/1315722084.db2.gz NCXKCZOZUHGMJF-OAHLLOKOSA-N 1 0 340.427 2.871 20 5 EFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254548699 1315722147 /nfs/dbraw/zinc/72/21/47/1315722147.db2.gz KREFCQLIXCIIGW-FVQBIDKESA-N 1 0 333.432 2.953 20 5 EFBDRO CCc1nnc2ccc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC001254545368 1315722214 /nfs/dbraw/zinc/72/22/14/1315722214.db2.gz MSTBNOUXZOPJBR-ZDUSSCGKSA-N 1 0 339.399 2.921 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548977 1315722265 /nfs/dbraw/zinc/72/22/65/1315722265.db2.gz OQZMMCLVTSUDDG-RDTXWAMCSA-N 1 0 344.411 2.995 20 5 EFBDRO CC(C)Oc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549859 1315722630 /nfs/dbraw/zinc/72/26/30/1315722630.db2.gz XUOXBOSFWCWCCU-CYBMUJFWSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccnc2)CC1 ZINC001254553103 1315722701 /nfs/dbraw/zinc/72/27/01/1315722701.db2.gz SHKNGOBJPYVZFA-OAHLLOKOSA-N 1 0 326.400 2.743 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ncccc2C1 ZINC001254555077 1315722816 /nfs/dbraw/zinc/72/28/16/1315722816.db2.gz FOFUVGVRBWDZCN-AWEZNQCLSA-N 1 0 326.400 2.873 20 5 EFBDRO CC(C)Oc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC001254549860 1315722868 /nfs/dbraw/zinc/72/28/68/1315722868.db2.gz XUOXBOSFWCWCCU-ZDUSSCGKSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001254554704 1315722955 /nfs/dbraw/zinc/72/29/55/1315722955.db2.gz DJQJFEIBYQEOAT-HOCLYGCPSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001254557688 1315723332 /nfs/dbraw/zinc/72/33/32/1315723332.db2.gz QSILTBIWXPETHI-KSSFIOAISA-N 1 0 331.416 2.661 20 5 EFBDRO COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254559988 1315723336 /nfs/dbraw/zinc/72/33/36/1315723336.db2.gz DKSNRCVLQOTUIH-CJNGLKHVSA-N 1 0 344.415 2.505 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001254562017 1315724039 /nfs/dbraw/zinc/72/40/39/1315724039.db2.gz OARFJIPSYFMHOH-OAHLLOKOSA-N 1 0 329.444 2.944 20 5 EFBDRO CN(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254564877 1315724598 /nfs/dbraw/zinc/72/45/98/1315724598.db2.gz BESFLFUMTOZDJI-CQSZACIVSA-N 1 0 335.404 2.519 20 5 EFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566856 1315724746 /nfs/dbraw/zinc/72/47/46/1315724746.db2.gz UQEJBZZJNCFYII-SDADXPQNSA-N 1 0 332.400 2.799 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1cnccn1)C1CC[NH2+]CC1 ZINC001254568261 1315724984 /nfs/dbraw/zinc/72/49/84/1315724984.db2.gz YNYOCJKDHLOFMF-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565337 1315725003 /nfs/dbraw/zinc/72/50/03/1315725003.db2.gz DKYLWHGBUCJUDI-CQSZACIVSA-N 1 0 349.431 2.955 20 5 EFBDRO Cn1c2ccccc2nc1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571711 1315725168 /nfs/dbraw/zinc/72/51/68/1315725168.db2.gz ARCFUDWVQBOBEQ-HNNXBMFYSA-N 1 0 336.395 2.781 20 5 EFBDRO CCN(C(C)=O)C1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568555 1315725208 /nfs/dbraw/zinc/72/52/08/1315725208.db2.gz HEQXTEZDNVKQHI-AWEZNQCLSA-N 1 0 333.432 2.859 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccncn2)CC1 ZINC001254569988 1315725471 /nfs/dbraw/zinc/72/54/71/1315725471.db2.gz LNKWVKQOKOSWHG-CQSZACIVSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001254570572 1315725724 /nfs/dbraw/zinc/72/57/24/1315725724.db2.gz NYOAJHQVAWHVLQ-HOCLYGCPSA-N 1 0 342.399 2.859 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254570932 1315725765 /nfs/dbraw/zinc/72/57/65/1315725765.db2.gz QRIUOVHAPJEFFC-ZDUSSCGKSA-N 1 0 327.384 2.988 20 5 EFBDRO CCN1CC2(CC1=O)CC[NH+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254571581 1315725788 /nfs/dbraw/zinc/72/57/88/1315725788.db2.gz YFFDUZSZPJYUCC-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC3COC3)c1)C2 ZINC001254573511 1315725866 /nfs/dbraw/zinc/72/58/66/1315725866.db2.gz BCKRQEWHVNYCGY-MRXNPFEDSA-N 1 0 340.379 2.629 20 5 EFBDRO COC(=O)Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254573919 1315725885 /nfs/dbraw/zinc/72/58/85/1315725885.db2.gz DSZVIWRLQOYSAO-KRWDZBQOSA-N 1 0 340.379 2.567 20 5 EFBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC001254574631 1315726065 /nfs/dbraw/zinc/72/60/65/1315726065.db2.gz JJZWEJSUNJNJQT-INIZCTEOSA-N 1 0 343.358 2.820 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573217 1315726179 /nfs/dbraw/zinc/72/61/79/1315726179.db2.gz ABKAXOHTLVFADS-HOCLYGCPSA-N 1 0 347.415 2.661 20 5 EFBDRO CC(C)(C)OC(=O)N1CC(C)([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254571972 1315726184 /nfs/dbraw/zinc/72/61/84/1315726184.db2.gz FNRHLQPGFNOKFC-AWEZNQCLSA-N 1 0 347.415 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001254580009 1315726985 /nfs/dbraw/zinc/72/69/85/1315726985.db2.gz YMSUTHFFRMDGAC-ZDUSSCGKSA-N 1 0 335.310 2.848 20 5 EFBDRO COc1cccc(OC)c1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580737 1315727057 /nfs/dbraw/zinc/72/70/57/1315727057.db2.gz FBZXJQTVCGYGCN-AWEZNQCLSA-N 1 0 328.368 2.869 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)no1)C2 ZINC001254581391 1315727061 /nfs/dbraw/zinc/72/70/61/1315727061.db2.gz JQJJZVAWVIFVEM-SNVBAGLBSA-N 1 0 338.161 2.602 20 5 EFBDRO COc1cccc2c1C[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254582067 1315727180 /nfs/dbraw/zinc/72/71/80/1315727180.db2.gz SESDGZQJUUNUQW-GJZGRUSLSA-N 1 0 340.379 2.664 20 5 EFBDRO COC(=O)C1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583995 1315727389 /nfs/dbraw/zinc/72/73/89/1315727389.db2.gz PPCYBVPGYPPKQI-SEEARECTSA-N 1 0 332.400 2.631 20 5 EFBDRO COC(=O)C1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584002 1315727455 /nfs/dbraw/zinc/72/74/55/1315727455.db2.gz PPCYBVPGYPPKQI-ZUEPYMLJSA-N 1 0 332.400 2.631 20 5 EFBDRO CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584684 1315727592 /nfs/dbraw/zinc/72/75/92/1315727592.db2.gz IURUXTDFDYHFDL-SJORKVTESA-N 1 0 345.443 2.689 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ccc(F)cn3)CC1)C2 ZINC001254586237 1315727730 /nfs/dbraw/zinc/72/77/30/1315727730.db2.gz JDPZCCWGLUCESH-OAHLLOKOSA-N 1 0 327.359 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001254585909 1315727906 /nfs/dbraw/zinc/72/79/06/1315727906.db2.gz YOBRWNIRJDWBNT-IAGOWNOFSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001254585844 1315727922 /nfs/dbraw/zinc/72/79/22/1315727922.db2.gz XRKOYFXORRGJBA-AEFFLSMTSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001254585850 1315727925 /nfs/dbraw/zinc/72/79/25/1315727925.db2.gz XRKOYFXORRGJBA-WMZOPIPTSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)Cc1ccc(Cl)cc1)C2 ZINC001254585910 1315727993 /nfs/dbraw/zinc/72/79/93/1315727993.db2.gz YOBRWNIRJDWBNT-IRXDYDNUSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)C2 ZINC001254585550 1315728041 /nfs/dbraw/zinc/72/80/41/1315728041.db2.gz MGJKHLFDKJBYQR-ZDUSSCGKSA-N 1 0 340.305 2.611 20 5 EFBDRO COc1ccc2c(c1)c(C[NH3+])nn2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590859 1315728210 /nfs/dbraw/zinc/72/82/10/1315728210.db2.gz ZRCQXGJICBDBIL-AWEZNQCLSA-N 1 0 338.367 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C2 ZINC001254589058 1315728320 /nfs/dbraw/zinc/72/83/20/1315728320.db2.gz MFNJBRTYGRLQCV-SUMWQHHRSA-N 1 0 334.322 2.663 20 5 EFBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)no1 ZINC001254593567 1315728362 /nfs/dbraw/zinc/72/83/62/1315728362.db2.gz NBBPMVVETTUBNH-CZUORRHYSA-N 1 0 328.372 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1F)C2 ZINC001254589034 1315728637 /nfs/dbraw/zinc/72/86/37/1315728637.db2.gz LJFLTGXJKPMJPO-JKSUJKDBSA-N 1 0 348.349 2.533 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCOc1cc(Cl)ccn1)C2 ZINC001254589036 1315728694 /nfs/dbraw/zinc/72/86/94/1315728694.db2.gz LJRGWDRVUXRRJC-CQSZACIVSA-N 1 0 333.775 2.779 20 5 EFBDRO Cc1nc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)no1 ZINC001254597371 1315728823 /nfs/dbraw/zinc/72/88/23/1315728823.db2.gz CTVSTQWPOISCDX-MRXNPFEDSA-N 1 0 328.372 2.633 20 5 EFBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598624 1315728981 /nfs/dbraw/zinc/72/89/81/1315728981.db2.gz LAKAQDLPWHSJDX-QAPCUYQASA-N 1 0 345.443 2.642 20 5 EFBDRO O=C1c2ccccc2[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254594484 1315729303 /nfs/dbraw/zinc/72/93/03/1315729303.db2.gz RLFYMIWPLWBFFV-MNEFBYGVSA-N 1 0 334.375 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCO[C@H](c3ccccn3)C1)C2 ZINC001254603861 1315729935 /nfs/dbraw/zinc/72/99/35/1315729935.db2.gz RDQDDSGIRWQQTN-WMZOPIPTSA-N 1 0 325.368 2.531 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001254606834 1315730282 /nfs/dbraw/zinc/73/02/82/1315730282.db2.gz IDYUNIYDELVYSO-FUHWJXTLSA-N 1 0 325.368 2.610 20 5 EFBDRO CCc1nc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)no1 ZINC001254608356 1315730914 /nfs/dbraw/zinc/73/09/14/1315730914.db2.gz QVZCBGOXPJIFGF-MRXNPFEDSA-N 1 0 342.399 2.887 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC001254610607 1315731003 /nfs/dbraw/zinc/73/10/03/1315731003.db2.gz LRSMTTCKKTXQJI-SFHVURJKSA-N 1 0 338.411 2.716 20 5 EFBDRO Cc1ccnn1C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609933 1315731080 /nfs/dbraw/zinc/73/10/80/1315731080.db2.gz HHSGJIAONDCPBR-GOSISDBHSA-N 1 0 326.400 2.904 20 5 EFBDRO O=C1CCCCN1C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254608771 1315731147 /nfs/dbraw/zinc/73/11/47/1315731147.db2.gz SMRRSYIAVACIDA-SFHVURJKSA-N 1 0 343.427 2.539 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609395 1315731156 /nfs/dbraw/zinc/73/11/56/1315731156.db2.gz WAEINJDZCFLXTQ-NBMRYCAZSA-N 1 0 344.411 2.726 20 5 EFBDRO Cc1cccc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612090 1315731753 /nfs/dbraw/zinc/73/17/53/1315731753.db2.gz UYMZAMGOYCDCEN-ROUUACIJSA-N 1 0 339.395 2.919 20 5 EFBDRO Cc1cccc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612093 1315731883 /nfs/dbraw/zinc/73/18/83/1315731883.db2.gz UYMZAMGOYCDCEN-ZWKOTPCHSA-N 1 0 339.395 2.919 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001255184399 1315788236 /nfs/dbraw/zinc/78/82/36/1315788236.db2.gz NCMUSDXUFSEQCC-WDEREUQCSA-N 1 0 342.237 2.882 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000724978538 1315888676 /nfs/dbraw/zinc/88/86/76/1315888676.db2.gz SYXSHMDTORGOJX-LLVKDONJSA-N 1 0 327.406 2.755 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC001256085150 1315902754 /nfs/dbraw/zinc/90/27/54/1315902754.db2.gz KJRDEPBOAIXJAC-MRXNPFEDSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC001256081662 1315902818 /nfs/dbraw/zinc/90/28/18/1315902818.db2.gz CBJKWUNHGORDMB-UHFFFAOYSA-N 1 0 331.372 2.955 20 5 EFBDRO COc1cc(N2CCC([NH2+]CC(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256084398 1315902869 /nfs/dbraw/zinc/90/28/69/1315902869.db2.gz BXZGZOGHVMHZOQ-UHFFFAOYSA-N 1 0 349.431 2.777 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318478945 1328611647 /nfs/dbraw/zinc/61/16/47/1328611647.db2.gz BLHBGVBANICRKS-STQMWFEESA-N 1 0 337.445 2.919 20 5 EFBDRO COc1cc(N2CCC([NH2+]CCCSC)CC2)ccc1[N+](=O)[O-] ZINC001256086072 1315903552 /nfs/dbraw/zinc/90/35/52/1315903552.db2.gz VEUQPOVPFBHTDK-UHFFFAOYSA-N 1 0 339.461 2.915 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093088 1315903699 /nfs/dbraw/zinc/90/36/99/1315903699.db2.gz GGJIHIAXLVAXFE-RCBQFDQVSA-N 1 0 349.406 2.862 20 5 EFBDRO COc1cc(N2CCC([NH2+]C3CCC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256088493 1315903843 /nfs/dbraw/zinc/90/38/43/1315903843.db2.gz VUJLSPHINIFTPG-UHFFFAOYSA-N 1 0 347.415 2.674 20 5 EFBDRO CC[C@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100452 1315904243 /nfs/dbraw/zinc/90/42/43/1315904243.db2.gz GEUSTUNZDBJDKA-CYBMUJFWSA-N 1 0 337.420 2.587 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256094206 1315904435 /nfs/dbraw/zinc/90/44/35/1315904435.db2.gz HOTLFZDSIVCXNI-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO Cc1ccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC001258054794 1316116080 /nfs/dbraw/zinc/11/60/80/1316116080.db2.gz BXEXKGGHZISTEU-CQSZACIVSA-N 1 0 330.388 2.871 20 5 EFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258137249 1316123892 /nfs/dbraw/zinc/12/38/92/1316123892.db2.gz FSLSGYJMWBCYJW-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258137250 1316124126 /nfs/dbraw/zinc/12/41/26/1316124126.db2.gz FSLSGYJMWBCYJW-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO O=C(c1ccoc1)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072466704 1316388984 /nfs/dbraw/zinc/38/89/84/1316388984.db2.gz PCOXHTNUQOIUMC-UHFFFAOYSA-N 1 0 341.367 2.536 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[NH3+] ZINC001261434299 1316412177 /nfs/dbraw/zinc/41/21/77/1316412177.db2.gz BPWGCFQTHHTGSA-UHFFFAOYSA-N 1 0 327.384 2.909 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001262082814 1316447322 /nfs/dbraw/zinc/44/73/22/1316447322.db2.gz ONPZAOVVMVPTER-UONOGXRCSA-N 1 0 336.367 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCn3cncc3C2)c1 ZINC001262282171 1316458712 /nfs/dbraw/zinc/45/87/12/1316458712.db2.gz KLETUDFQFKLYPB-UHFFFAOYSA-N 1 0 337.177 2.570 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001262362807 1316464131 /nfs/dbraw/zinc/46/41/31/1316464131.db2.gz ATQDPZJYPWCGON-UHFFFAOYSA-N 1 0 344.419 2.602 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001262652785 1316477430 /nfs/dbraw/zinc/47/74/30/1316477430.db2.gz PXYIIPIZVSLTOB-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CC[C@@H](CC(F)(F)F)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001263273308 1316525329 /nfs/dbraw/zinc/52/53/29/1316525329.db2.gz AARKHQXZSQCWMX-GXFFZTMASA-N 1 0 333.310 2.616 20 5 EFBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001263647025 1316553323 /nfs/dbraw/zinc/55/33/23/1316553323.db2.gz VVVPZOUFQLCFKA-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001318612423 1328651811 /nfs/dbraw/zinc/65/18/11/1328651811.db2.gz NJCIJDKBLRYZPV-UHFFFAOYSA-N 1 0 339.823 2.733 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001319007338 1328763045 /nfs/dbraw/zinc/76/30/45/1328763045.db2.gz LHDNBDRWQTWNLZ-CQSZACIVSA-N 1 0 346.431 2.727 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001319407084 1328874927 /nfs/dbraw/zinc/87/49/27/1328874927.db2.gz BEVVDOCBZBJWMY-CHWSQXEVSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001319963309 1329045055 /nfs/dbraw/zinc/04/50/55/1329045055.db2.gz SIKNRDAKCDWRGR-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001320383539 1329120445 /nfs/dbraw/zinc/12/04/45/1329120445.db2.gz YAYJVNGVZHIDNR-UVBJJODRSA-N 1 0 337.395 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(/C=C\c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001320495016 1329145457 /nfs/dbraw/zinc/14/54/57/1329145457.db2.gz CHGIAGWJKFNWIV-OMVNSRBRSA-N 1 0 326.356 2.957 20 5 EFBDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320561335 1329164538 /nfs/dbraw/zinc/16/45/38/1329164538.db2.gz BZQXZPNVDQYIRS-LBPRGKRZSA-N 1 0 339.823 2.986 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCN2CCC(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC001320989204 1329328666 /nfs/dbraw/zinc/32/86/66/1329328666.db2.gz JJZFGLDHADUQGP-SFHVURJKSA-N 1 0 347.459 2.611 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001321652797 1329401287 /nfs/dbraw/zinc/40/12/87/1329401287.db2.gz DXBZILCZEUXHFL-KRWDZBQOSA-N 1 0 339.395 2.989 20 5 EFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001317703157 1328308736 /nfs/dbraw/zinc/30/87/36/1328308736.db2.gz WNKPRFVCDMZKIY-OLZOCXBDSA-N 1 0 343.383 2.660 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001317969966 1328461869 /nfs/dbraw/zinc/46/18/69/1328461869.db2.gz KMQXSOLIBGJFPA-MELADBBJSA-N 1 0 348.447 2.733 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC001318181479 1328516095 /nfs/dbraw/zinc/51/60/95/1328516095.db2.gz BNCFBPNUNBNELY-UHFFFAOYSA-N 1 0 346.431 2.790 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC001322439956 1329458399 /nfs/dbraw/zinc/45/83/99/1329458399.db2.gz FCZKDWIDTHTHRY-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC001322442881 1329458933 /nfs/dbraw/zinc/45/89/33/1329458933.db2.gz YSLMXDLLROLUOX-UHFFFAOYSA-N 1 0 344.415 2.663 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001322542411 1329466051 /nfs/dbraw/zinc/46/60/51/1329466051.db2.gz KQFDFFJECHZAJV-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001322711169 1329481725 /nfs/dbraw/zinc/48/17/25/1329481725.db2.gz MNVMECQEQMRPAN-SJORKVTESA-N 1 0 348.447 2.776 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001322711166 1329481824 /nfs/dbraw/zinc/48/18/24/1329481824.db2.gz MNVMECQEQMRPAN-DLBZAZTESA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001322750948 1329485041 /nfs/dbraw/zinc/48/50/41/1329485041.db2.gz BSEMBRAXNNTAME-MRXNPFEDSA-N 1 0 326.400 2.654 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001323291495 1329531773 /nfs/dbraw/zinc/53/17/73/1329531773.db2.gz DPFWZYNAXOLBRC-DUVNUKRYSA-N 1 0 340.445 2.550 20 5 EFBDRO Cc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001323490387 1329546558 /nfs/dbraw/zinc/54/65/58/1329546558.db2.gz OCIGFDBKUAMVAX-UHFFFAOYSA-N 1 0 338.367 2.866 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001323541834 1329550271 /nfs/dbraw/zinc/55/02/71/1329550271.db2.gz DWRVFHKDXBSEOL-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001323877575 1329582758 /nfs/dbraw/zinc/58/27/58/1329582758.db2.gz RQDPPQNOCSQELZ-UHFFFAOYSA-N 1 0 346.431 2.742 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001323990684 1329589568 /nfs/dbraw/zinc/58/95/68/1329589568.db2.gz LRLNSHKXHUQVBL-XYPHTWIQSA-N 1 0 348.447 2.774 20 5 EFBDRO Cc1nn(C)c(-c2nnc([C@@H](C)C[NH+]3CCC(C)CC3)o2)c1[N+](=O)[O-] ZINC001324133261 1329602255 /nfs/dbraw/zinc/60/22/55/1329602255.db2.gz LMMOBNOPKHECDH-NSHDSACASA-N 1 0 348.407 2.522 20 5 EFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149761 1329603677 /nfs/dbraw/zinc/60/36/77/1329603677.db2.gz DUTMRJQWLYAWDP-SNVBAGLBSA-N 1 0 329.194 2.968 20 5 EFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC001324222331 1329609445 /nfs/dbraw/zinc/60/94/45/1329609445.db2.gz NTWVPYFMEMOJEN-PHIMTYICSA-N 1 0 342.237 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)CCC2 ZINC001324760095 1329656515 /nfs/dbraw/zinc/65/65/15/1329656515.db2.gz IAFBOUMVLQHSCY-BEFAXECRSA-N 1 0 348.443 2.987 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)CCC2 ZINC001324760098 1329656517 /nfs/dbraw/zinc/65/65/17/1329656517.db2.gz IAFBOUMVLQHSCY-KXBFYZLASA-N 1 0 348.443 2.987 20 5 EFBDRO C[C@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001325197618 1329674867 /nfs/dbraw/zinc/67/48/67/1329674867.db2.gz WEAXGHVMGMAYFP-JQWIXIFHSA-N 1 0 343.221 2.950 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC001325489503 1329692076 /nfs/dbraw/zinc/69/20/76/1329692076.db2.gz OOXXVCVCGLAFQT-NSHDSACASA-N 1 0 347.806 2.866 20 5 EFBDRO [NH3+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001326338936 1329748748 /nfs/dbraw/zinc/74/87/48/1329748748.db2.gz MKUQLAYCTRBGPX-KRWDZBQOSA-N 1 0 333.432 2.941 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001326352848 1329749670 /nfs/dbraw/zinc/74/96/70/1329749670.db2.gz UOYVIFZKMKCVAW-INIZCTEOSA-N 1 0 326.400 2.969 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001327542698 1330496866 /nfs/dbraw/zinc/49/68/66/1330496866.db2.gz IFIBOEPVBHRIIE-ZIAGYGMSSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001327679033 1330507981 /nfs/dbraw/zinc/50/79/81/1330507981.db2.gz ARIAWBNCSZSSPU-PBHICJAKSA-N 1 0 334.416 2.597 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327913200 1330529267 /nfs/dbraw/zinc/52/92/67/1330529267.db2.gz LJONGKYPVJPIAK-CQSZACIVSA-N 1 0 346.431 2.740 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331587994 1330856576 /nfs/dbraw/zinc/85/65/76/1330856576.db2.gz LKQPFFOTYFYBMT-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001331893574 1330886191 /nfs/dbraw/zinc/88/61/91/1330886191.db2.gz PPXGVUMXWJHIAA-UHFFFAOYSA-N 1 0 326.356 2.710 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001333182829 1331090069 /nfs/dbraw/zinc/09/00/69/1331090069.db2.gz CAMYEKSESMGVAC-IRXDYDNUSA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001333362137 1331124885 /nfs/dbraw/zinc/12/48/85/1331124885.db2.gz XAGMYSBTUHFQDM-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501841 1331156120 /nfs/dbraw/zinc/15/61/20/1331156120.db2.gz FGIAIIGNYXSMBS-AAEUAGOBSA-N 1 0 336.367 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c2)cc1 ZINC001333605288 1331179525 /nfs/dbraw/zinc/17/95/25/1331179525.db2.gz KXRKYROSPXDTQZ-CRAIPNDOSA-N 1 0 342.399 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)c2)cc1 ZINC001333605291 1331179681 /nfs/dbraw/zinc/17/96/81/1331179681.db2.gz KXRKYROSPXDTQZ-MAUKXSAKSA-N 1 0 342.399 2.917 20 5 EFBDRO CC[NH+](CC)C1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001333666354 1331190429 /nfs/dbraw/zinc/19/04/29/1331190429.db2.gz NKTPLDBXBUPQFV-UHFFFAOYSA-N 1 0 337.420 2.615 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC001333708208 1331198423 /nfs/dbraw/zinc/19/84/23/1331198423.db2.gz VJGPLUUPQQECFU-UHFFFAOYSA-N 1 0 345.399 2.707 20 5 EFBDRO C[C@H]1C[N@H+](CCCNCc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719558 1331201146 /nfs/dbraw/zinc/20/11/46/1331201146.db2.gz RDPCVMWNMYEZAM-ZDUSSCGKSA-N 1 0 341.839 2.839 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001333873795 1331231772 /nfs/dbraw/zinc/23/17/72/1331231772.db2.gz NYONFTOWYNYKIS-NOZJJQNGSA-N 1 0 329.194 2.560 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001335738789 1331396283 /nfs/dbraw/zinc/39/62/83/1331396283.db2.gz GRROEKVMVMSSDS-IBGZPJMESA-N 1 0 339.395 2.574 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001336222597 1331448383 /nfs/dbraw/zinc/44/83/83/1331448383.db2.gz ALWQWZRCFWRGRO-NSHDSACASA-N 1 0 343.786 2.530 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336462056 1331475797 /nfs/dbraw/zinc/47/57/97/1331475797.db2.gz OZYYRRXSYIQFGW-HZPDHXFCSA-N 1 0 346.431 2.772 20 5 EFBDRO Nc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001336609066 1331486852 /nfs/dbraw/zinc/48/68/52/1331486852.db2.gz OZPWVGATZNDGNH-AWEZNQCLSA-N 1 0 327.388 2.506 20 5 EFBDRO CC(C)(CO)[NH+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001336692278 1331493100 /nfs/dbraw/zinc/49/31/00/1331493100.db2.gz JHZHWJYTAFYJSV-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001336722643 1331496363 /nfs/dbraw/zinc/49/63/63/1331496363.db2.gz LGENTQZBGBTHTD-KBXCAEBGSA-N 1 0 345.399 2.716 20 5 EFBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001336841880 1331507559 /nfs/dbraw/zinc/50/75/59/1331507559.db2.gz YKWYGIIJUZHWJY-SWLSCSKDSA-N 1 0 340.445 2.783 20 5 EFBDRO CCOc1cccc(N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001336980448 1331523662 /nfs/dbraw/zinc/52/36/62/1331523662.db2.gz FISGLURBUOTKOU-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336984467 1331523880 /nfs/dbraw/zinc/52/38/80/1331523880.db2.gz RTFHEUOPQXEMDQ-CVEARBPZSA-N 1 0 344.415 2.526 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336984469 1331523997 /nfs/dbraw/zinc/52/39/97/1331523997.db2.gz RTFHEUOPQXEMDQ-HZPDHXFCSA-N 1 0 344.415 2.526 20 5 EFBDRO CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001337008463 1331526387 /nfs/dbraw/zinc/52/63/87/1331526387.db2.gz WSHHUUJHTFXFOU-MGPQQGTHSA-N 1 0 337.807 2.755 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337034117 1331529545 /nfs/dbraw/zinc/52/95/45/1331529545.db2.gz HFWSJRPSXFOLCQ-UONOGXRCSA-N 1 0 333.436 2.663 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@H](c2ccc(F)cc2)C1 ZINC001337341435 1331564113 /nfs/dbraw/zinc/56/41/13/1331564113.db2.gz PMCYRPFCIIZLJU-HNNXBMFYSA-N 1 0 343.358 2.829 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001337678678 1331591941 /nfs/dbraw/zinc/59/19/41/1331591941.db2.gz LFIIVDBPGXJFHX-ZDUSSCGKSA-N 1 0 336.367 2.826 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337811332 1331601222 /nfs/dbraw/zinc/60/12/22/1331601222.db2.gz YXOJTMWYGFBNSZ-HUUCEWRRSA-N 1 0 346.387 2.590 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC=CCC3)c2)CC1 ZINC001338334942 1331693889 /nfs/dbraw/zinc/69/38/89/1331693889.db2.gz HOOPPJJIORKQNF-AWEZNQCLSA-N 1 0 344.415 2.641 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001338689183 1331725966 /nfs/dbraw/zinc/72/59/66/1331725966.db2.gz YZKKTQKUQLMPJJ-FVQBIDKESA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)(CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC001338919810 1331757427 /nfs/dbraw/zinc/75/74/27/1331757427.db2.gz PYPLTBDIAFEYDE-UHFFFAOYSA-N 1 0 346.431 2.742 20 5 EFBDRO C[C@H]1CC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066823 1331781676 /nfs/dbraw/zinc/78/16/76/1331781676.db2.gz YVDWGPOCJICRJF-UONOGXRCSA-N 1 0 346.431 2.721 20 5 EFBDRO CC(C)[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066841 1331781891 /nfs/dbraw/zinc/78/18/91/1331781891.db2.gz ZLMKBMTVQBSBET-CYBMUJFWSA-N 1 0 334.420 2.577 20 5 EFBDRO CC/C(C)=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065358 1331782146 /nfs/dbraw/zinc/78/21/46/1331782146.db2.gz HXCFJVNSRDDTON-ACCUITESSA-N 1 0 332.404 2.641 20 5 EFBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC001341456360 1332260672 /nfs/dbraw/zinc/26/06/72/1332260672.db2.gz LFEDCQUAZTVGGT-HNNXBMFYSA-N 1 0 335.379 2.858 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001341688803 1332276908 /nfs/dbraw/zinc/27/69/08/1332276908.db2.gz MCYGXCQALHBWPK-STQMWFEESA-N 1 0 349.456 2.778 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1[N+](=O)[O-] ZINC001341693348 1332277694 /nfs/dbraw/zinc/27/76/94/1332277694.db2.gz WMKYCUPYAZBLQV-GFCCVEGCSA-N 1 0 346.387 2.957 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001341785311 1332284065 /nfs/dbraw/zinc/28/40/65/1332284065.db2.gz ANCTZQLQAJGNAL-ZDUSSCGKSA-N 1 0 339.823 2.911 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001343207418 1332341707 /nfs/dbraw/zinc/34/17/07/1332341707.db2.gz ZUTOXTIBXQCQDZ-WDEREUQCSA-N 1 0 347.806 2.864 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001343451160 1332347910 /nfs/dbraw/zinc/34/79/10/1332347910.db2.gz AKILQCMBYGQVEZ-KURKYZTESA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001343505965 1332352298 /nfs/dbraw/zinc/35/22/98/1332352298.db2.gz PLCJGFLWUAVVLV-LSDHHAIUSA-N 1 0 349.406 2.515 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001344074814 1332401198 /nfs/dbraw/zinc/40/11/98/1332401198.db2.gz LHZLGKKZYAGIEL-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001344525117 1332460954 /nfs/dbraw/zinc/46/09/54/1332460954.db2.gz ZAJLWOYJNJQEAC-HUUCEWRRSA-N 1 0 349.431 2.661 20 5 EFBDRO COc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001345082594 1332507497 /nfs/dbraw/zinc/50/74/97/1332507497.db2.gz APDQMTYEBJXNOE-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001345466246 1332541239 /nfs/dbraw/zinc/54/12/39/1332541239.db2.gz NTRZADXXLLRHEO-UHFFFAOYSA-N 1 0 328.372 2.964 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC001345952719 1332587603 /nfs/dbraw/zinc/58/76/03/1332587603.db2.gz FMJCGXSKSXGHNG-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(F)c1 ZINC001346110767 1332600330 /nfs/dbraw/zinc/60/03/30/1332600330.db2.gz TXOVVPSKEOYCQB-UHFFFAOYSA-N 1 0 335.310 2.991 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001346263790 1332619434 /nfs/dbraw/zinc/61/94/34/1332619434.db2.gz JHAUAFYREPQAAL-MAUKXSAKSA-N 1 0 333.432 2.625 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346451508 1332642692 /nfs/dbraw/zinc/64/26/92/1332642692.db2.gz DFYSHSIXCZFNNK-IAGOWNOFSA-N 1 0 344.415 2.637 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001348659470 1332857459 /nfs/dbraw/zinc/85/74/59/1332857459.db2.gz QQJFMQGLBDVZJE-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C)CC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC001348898063 1332881683 /nfs/dbraw/zinc/88/16/83/1332881683.db2.gz DIDHWMDCCFERHU-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001349825396 1333002222 /nfs/dbraw/zinc/00/22/22/1333002222.db2.gz LQAOBOOKGORMJE-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001349913016 1333012535 /nfs/dbraw/zinc/01/25/35/1333012535.db2.gz PDWOQLWTAZGFTP-CQSZACIVSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001350300412 1333061152 /nfs/dbraw/zinc/06/11/52/1333061152.db2.gz ITNQEPIRTDBXSW-CQSZACIVSA-N 1 0 348.399 2.975 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCC[NH+]2CCCC2)c1F ZINC000847095224 1333320944 /nfs/dbraw/zinc/32/09/44/1333320944.db2.gz AMHRBAUFUSKDLZ-UHFFFAOYSA-N 1 0 341.358 2.739 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001351940751 1333328899 /nfs/dbraw/zinc/32/88/99/1333328899.db2.gz YXLLVKOOTHTISM-QZTJIDSGSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC000847253553 1333447886 /nfs/dbraw/zinc/44/78/86/1333447886.db2.gz HJCBEMUXSRDOSH-LSDHHAIUSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847253381 1333448065 /nfs/dbraw/zinc/44/80/65/1333448065.db2.gz CUEZUGWZERWJTD-RIDHJDLKSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847253380 1333448500 /nfs/dbraw/zinc/44/85/00/1333448500.db2.gz CUEZUGWZERWJTD-MXDRFRHJSA-N 1 0 329.400 2.741 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000847256728 1333451360 /nfs/dbraw/zinc/45/13/60/1333451360.db2.gz RJBWLVOCENORSP-UKRRQHHQSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000847376980 1333623023 /nfs/dbraw/zinc/62/30/23/1333623023.db2.gz AUCXPPZNZGQNRO-XKQJLSEDSA-N 1 0 346.431 2.972 20 5 EFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCOCC1 ZINC001353244328 1334045818 /nfs/dbraw/zinc/04/58/18/1334045818.db2.gz BAURWPUMJFANMZ-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CN(C)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353274488 1334059691 /nfs/dbraw/zinc/05/96/91/1334059691.db2.gz UCHQKZALFUBIOR-ZWKOTPCHSA-N 1 0 347.390 2.660 20 5 EFBDRO C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001354829486 1334544621 /nfs/dbraw/zinc/54/46/21/1334544621.db2.gz JXEWTBWBUJLJLU-SJCJKPOMSA-N 1 0 325.368 2.659 20 5 EFBDRO Cn1c2ccccc2c(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1=O ZINC001355273599 1334727714 /nfs/dbraw/zinc/72/77/14/1334727714.db2.gz DOZOTABALHUORU-UHFFFAOYSA-N 1 0 344.415 2.591 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC001355350560 1334750249 /nfs/dbraw/zinc/75/02/49/1334750249.db2.gz IWZKLNPKQHQEFS-RHSMWYFYSA-N 1 0 325.368 2.566 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000848524274 1334772795 /nfs/dbraw/zinc/77/27/95/1334772795.db2.gz RMYCMBCSIFSVKL-GUYCJALGSA-N 1 0 346.358 2.751 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000848531601 1334777991 /nfs/dbraw/zinc/77/79/91/1334777991.db2.gz UBQVGDPSRGKTCR-CRAIPNDOSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000848550108 1334789656 /nfs/dbraw/zinc/78/96/56/1334789656.db2.gz CMECUEAMYDMTGQ-DAYGRLMNSA-N 1 0 326.352 2.666 20 5 EFBDRO Cc1c(Cc2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)cccc1[N+](=O)[O-] ZINC000848623039 1334815769 /nfs/dbraw/zinc/81/57/69/1334815769.db2.gz DUEAHHFLAPIAMH-DYVFJYSZSA-N 1 0 328.372 2.734 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000848792985 1334901503 /nfs/dbraw/zinc/90/15/03/1334901503.db2.gz FKDQETDRLLBWRA-LBPRGKRZSA-N 1 0 341.358 2.564 20 5 EFBDRO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001356510011 1335045913 /nfs/dbraw/zinc/04/59/13/1335045913.db2.gz AHBFRZBUSUDFBG-HZMBPMFUSA-N 1 0 346.353 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC001356532414 1335049281 /nfs/dbraw/zinc/04/92/81/1335049281.db2.gz JYOZXRBDPQVXJW-OAHLLOKOSA-N 1 0 337.326 2.608 20 5 EFBDRO COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001356534369 1335050191 /nfs/dbraw/zinc/05/01/91/1335050191.db2.gz LZVSSLDQXZEKCA-HZPDHXFCSA-N 1 0 344.367 2.750 20 5 EFBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568477 1335054839 /nfs/dbraw/zinc/05/48/39/1335054839.db2.gz DPTWWIWEDRTECQ-CVEARBPZSA-N 1 0 332.404 2.529 20 5 EFBDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])c1 ZINC000849088717 1335073378 /nfs/dbraw/zinc/07/33/78/1335073378.db2.gz VAGJVIZUOAXCQU-UHFFFAOYSA-N 1 0 344.371 2.791 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357445230 1335308121 /nfs/dbraw/zinc/30/81/21/1335308121.db2.gz KZXXITVOEOJITB-IAGOWNOFSA-N 1 0 331.416 2.546 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357445232 1335308184 /nfs/dbraw/zinc/30/81/84/1335308184.db2.gz KZXXITVOEOJITB-SJORKVTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001358143455 1335363216 /nfs/dbraw/zinc/36/32/16/1335363216.db2.gz TYLMYUPQKMWWPO-JTQLQIEISA-N 1 0 331.397 2.793 20 5 EFBDRO C[NH2+][C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC001358170683 1335364555 /nfs/dbraw/zinc/36/45/55/1335364555.db2.gz PXQPYOCONPTBLT-HNNXBMFYSA-N 1 0 345.374 2.603 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162384373 1418727302 /nfs/dbraw/zinc/72/73/02/1418727302.db2.gz YHJQWZBBBQHUGS-GFCCVEGCSA-N 1 0 328.210 2.541 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001020487552 713068345 /nfs/dbraw/zinc/06/83/45/713068345.db2.gz DNMZBGUYICCWAF-HDJSIYSDSA-N 1 0 349.456 2.973 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1occc1Cl ZINC001020551878 713158733 /nfs/dbraw/zinc/15/87/33/713158733.db2.gz NDQPXSDWQFOOAH-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)[nH]1 ZINC001020560932 713188808 /nfs/dbraw/zinc/18/88/08/713188808.db2.gz OKKIUUFGXLSNKG-HAQNSBGRSA-N 1 0 348.790 2.627 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001021785759 714474615 /nfs/dbraw/zinc/47/46/15/714474615.db2.gz PIUQWZJLMJUITI-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021787695 714476997 /nfs/dbraw/zinc/47/69/97/714476997.db2.gz DHLDYOYRYOSCHZ-IYBDPMFKSA-N 1 0 339.395 2.954 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021788218 714477321 /nfs/dbraw/zinc/47/73/21/714477321.db2.gz XTKOHJHAFAADQS-IYBDPMFKSA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC001021791350 714479741 /nfs/dbraw/zinc/47/97/41/714479741.db2.gz GOAULROBJWOSSH-BETUJISGSA-N 1 0 331.397 2.707 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021837283 714551905 /nfs/dbraw/zinc/55/19/05/714551905.db2.gz LGWMHSIQEKWRTN-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)oc1C ZINC001021967819 714624557 /nfs/dbraw/zinc/62/45/57/714624557.db2.gz GQEHKZKIDACFSD-BETUJISGSA-N 1 0 349.412 2.917 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001022010269 714646564 /nfs/dbraw/zinc/64/65/64/714646564.db2.gz TXTHSLISFBRKHP-GASCZTMLSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933331512 714666705 /nfs/dbraw/zinc/66/67/05/714666705.db2.gz FEHWFIHMXCKAGK-BMGDILEWSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@H+]1C ZINC000235668657 718000985 /nfs/dbraw/zinc/00/09/85/718000985.db2.gz QRIWWIUQAFGJPY-PHIMTYICSA-N 1 0 342.237 2.882 20 5 EFBDRO COc1cccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)c1 ZINC000891513243 714793086 /nfs/dbraw/zinc/79/30/86/714793086.db2.gz FWSICLTZEAGEHC-OAHLLOKOSA-N 1 0 345.403 2.586 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC001022247026 714916082 /nfs/dbraw/zinc/91/60/82/714916082.db2.gz ODDKHYVZZXJJRI-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255382916 714922346 /nfs/dbraw/zinc/92/23/46/714922346.db2.gz RILQHCINUHLDAO-CTEOGUNLSA-N 1 0 348.399 2.508 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC001022294067 714978663 /nfs/dbraw/zinc/97/86/63/714978663.db2.gz QFOIVUZPVINCAX-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001022295795 714982502 /nfs/dbraw/zinc/98/25/02/714982502.db2.gz XVPQKKPFDBQJKX-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022299060 714985453 /nfs/dbraw/zinc/98/54/53/714985453.db2.gz YCXWCCJHMHIYQT-CALCHBBNSA-N 1 0 339.395 2.574 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022298865 714985680 /nfs/dbraw/zinc/98/56/80/714985680.db2.gz QYNNEUNQMNTYLD-CALCHBBNSA-N 1 0 339.395 2.574 20 5 EFBDRO CC(=O)N1CCC([N@@H+](Cc2csc([N+](=O)[O-])c2)CC2CC2)CC1 ZINC001039480501 715220809 /nfs/dbraw/zinc/22/08/09/715220809.db2.gz YVPQHKXHSUBPBL-UHFFFAOYSA-N 1 0 337.445 2.879 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892033007 715226766 /nfs/dbraw/zinc/22/67/66/715226766.db2.gz RMOROVBZAVZTEI-GFCCVEGCSA-N 1 0 332.404 2.589 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892080625 715245140 /nfs/dbraw/zinc/24/51/40/715245140.db2.gz KJTYVGXASIIYHE-CYBMUJFWSA-N 1 0 344.415 2.589 20 5 EFBDRO COc1c(O)ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000892086528 715246055 /nfs/dbraw/zinc/24/60/55/715246055.db2.gz RHYBYQVTIKVGDQ-HNNXBMFYSA-N 1 0 349.431 2.759 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892103106 715254260 /nfs/dbraw/zinc/25/42/60/715254260.db2.gz HUICFAKIQLHODK-TZMCWYRMSA-N 1 0 337.420 2.614 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)[nH]1 ZINC001022669844 715282860 /nfs/dbraw/zinc/28/28/60/715282860.db2.gz BPIFCMSUOFTWOK-TXEJJXNPSA-N 1 0 348.790 2.627 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985448534 724388923 /nfs/dbraw/zinc/38/89/23/724388923.db2.gz QJDFZQSATGMAQA-UHFFFAOYSA-N 1 0 348.428 2.721 20 5 EFBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000178567800 715454827 /nfs/dbraw/zinc/45/48/27/715454827.db2.gz MENZKXFSWXIZTN-CYBMUJFWSA-N 1 0 340.383 2.759 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000893453536 715571131 /nfs/dbraw/zinc/57/11/31/715571131.db2.gz PPKDYJAZTZNNIR-DZGCQCFKSA-N 1 0 334.420 2.700 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236737107 715920519 /nfs/dbraw/zinc/92/05/19/715920519.db2.gz TZVLVSOTINDCEG-GFCCVEGCSA-N 1 0 348.428 2.966 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(C1CC1)C1CC1 ZINC001022951898 716008709 /nfs/dbraw/zinc/00/87/09/716008709.db2.gz KFMYCLVMAQVWDV-IYBDPMFKSA-N 1 0 343.427 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001022951610 716009111 /nfs/dbraw/zinc/00/91/11/716009111.db2.gz BZRKORUYZLUKCU-IYBDPMFKSA-N 1 0 343.427 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001022955084 716012229 /nfs/dbraw/zinc/01/22/29/716012229.db2.gz YUBRDXNXISMSEU-OKILXGFUSA-N 1 0 349.456 2.829 20 5 EFBDRO CCCN(CCC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893420170 716030588 /nfs/dbraw/zinc/03/05/88/716030588.db2.gz CZEBEKSLORJVTL-UHFFFAOYSA-N 1 0 346.431 2.615 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000176785214 716182348 /nfs/dbraw/zinc/18/23/48/716182348.db2.gz UHJCKHZFZDRBKL-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000161942246 716440084 /nfs/dbraw/zinc/44/00/84/716440084.db2.gz HHHOTWPOXLIFHG-INIZCTEOSA-N 1 0 348.447 2.640 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCOC1 ZINC000235188513 716667191 /nfs/dbraw/zinc/66/71/91/716667191.db2.gz AFIRBHHHQOLKSW-KOLCDFICSA-N 1 0 329.194 2.872 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000176826006 716718375 /nfs/dbraw/zinc/71/83/75/716718375.db2.gz WYMOFWDTVPJIGG-WFASDCNBSA-N 1 0 349.412 2.820 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000176826020 716718521 /nfs/dbraw/zinc/71/85/21/716718521.db2.gz WYMOFWDTVPJIGG-SWLSCSKDSA-N 1 0 349.412 2.820 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424021069 716959053 /nfs/dbraw/zinc/95/90/53/716959053.db2.gz ANBPQIXEUSYYKK-INIZCTEOSA-N 1 0 335.429 2.675 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424021153 716959832 /nfs/dbraw/zinc/95/98/32/716959832.db2.gz AOQBKUHNMVSEAH-AWEZNQCLSA-N 1 0 343.305 2.582 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000892402435 717048170 /nfs/dbraw/zinc/04/81/70/717048170.db2.gz PCOVOXHXZAGSKR-GFCCVEGCSA-N 1 0 344.367 2.650 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985205809 723981369 /nfs/dbraw/zinc/98/13/69/723981369.db2.gz FXJFQCYNXHWBMX-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897200664 724074745 /nfs/dbraw/zinc/07/47/45/724074745.db2.gz ZLRKQWFFGSHBRD-LBPRGKRZSA-N 1 0 334.294 2.509 20 5 EFBDRO COc1ccc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892447219 717510246 /nfs/dbraw/zinc/51/02/46/717510246.db2.gz QSVFCJCSPCEFRD-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000892460457 717624322 /nfs/dbraw/zinc/62/43/22/717624322.db2.gz CSGXKTZYRHZSJG-CQSZACIVSA-N 1 0 328.796 2.924 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925244949 724472854 /nfs/dbraw/zinc/47/28/54/724472854.db2.gz WMKRQDDMCDCBOY-UKRRQHHQSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000893589422 717886933 /nfs/dbraw/zinc/88/69/33/717886933.db2.gz HQEBNYPHIVGAHX-OAHLLOKOSA-N 1 0 342.399 2.932 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981136853 718143043 /nfs/dbraw/zinc/14/30/43/718143043.db2.gz IWFAESWUGPCFCG-QZTJIDSGSA-N 1 0 345.443 2.510 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000892570249 718293381 /nfs/dbraw/zinc/29/33/81/718293381.db2.gz IFMAWMRFCLTXHH-CYBMUJFWSA-N 1 0 345.399 2.924 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935798018 718345342 /nfs/dbraw/zinc/34/53/42/718345342.db2.gz OAPQESAZOQMYFG-IAGOWNOFSA-N 1 0 331.416 2.643 20 5 EFBDRO COc1c(O)ccc(CN[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892668287 718412001 /nfs/dbraw/zinc/41/20/01/718412001.db2.gz FUFQJDLTLOFOFI-QWHCGFSZSA-N 1 0 337.420 2.519 20 5 EFBDRO O=C(C1CCC1)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981571933 718818700 /nfs/dbraw/zinc/81/87/00/718818700.db2.gz IWPFEBRLVCKTFM-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CC1(C(=O)N2CC3(C2)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C3)CC1 ZINC000981786453 719034610 /nfs/dbraw/zinc/03/46/10/719034610.db2.gz JSGRXYYEVKQMHC-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)nc1Cl ZINC001164615882 719036788 /nfs/dbraw/zinc/03/67/88/719036788.db2.gz RMYBEPPBLAAQGG-UHFFFAOYSA-N 1 0 346.765 2.624 20 5 EFBDRO C[C@@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164634165 719177864 /nfs/dbraw/zinc/17/78/64/719177864.db2.gz ILDFHUXHOQHSOH-ZJUUUORDSA-N 1 0 335.795 2.720 20 5 EFBDRO Cn1c2ccccc2c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892824459 719218872 /nfs/dbraw/zinc/21/88/72/719218872.db2.gz QZFYPCUNCJIYAY-QWHCGFSZSA-N 1 0 344.415 2.731 20 5 EFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351507534 719242866 /nfs/dbraw/zinc/24/28/66/719242866.db2.gz BTZOGOHKKMPBJY-UONOGXRCSA-N 1 0 341.415 2.889 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892947297 719307872 /nfs/dbraw/zinc/30/78/72/719307872.db2.gz BSYBHIHNAXLWFU-AWEZNQCLSA-N 1 0 337.420 2.663 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2cccc(F)c2F)c1[N+](=O)[O-] ZINC000892947771 719308240 /nfs/dbraw/zinc/30/82/40/719308240.db2.gz PIHSONHCQTWQJV-UHFFFAOYSA-N 1 0 338.310 2.920 20 5 EFBDRO CC(C)C[NH+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164651630 719331429 /nfs/dbraw/zinc/33/14/29/719331429.db2.gz GKYLCXCXFWGRFT-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892967752 719368302 /nfs/dbraw/zinc/36/83/02/719368302.db2.gz LQCWCUHEXAXAST-FZMZJTMJSA-N 1 0 339.823 2.985 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892967751 719368323 /nfs/dbraw/zinc/36/83/23/719368323.db2.gz LQCWCUHEXAXAST-BXUZGUMPSA-N 1 0 339.823 2.985 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001019948660 719415407 /nfs/dbraw/zinc/41/54/07/719415407.db2.gz PIUQWZJLMJUITI-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001020329089 719490711 /nfs/dbraw/zinc/49/07/11/719490711.db2.gz ZOLREYMUNWFKFG-HDJSIYSDSA-N 1 0 335.379 2.614 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001025961501 719580694 /nfs/dbraw/zinc/58/06/94/719580694.db2.gz DKERNWGYAIOYJN-FVQHAEBGSA-N 1 0 343.427 2.577 20 5 EFBDRO CN(C)[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000893098357 719637482 /nfs/dbraw/zinc/63/74/82/719637482.db2.gz LZMRRAQVBKUJKZ-CQSZACIVSA-N 1 0 329.853 2.775 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000893112818 719678529 /nfs/dbraw/zinc/67/85/29/719678529.db2.gz HVTPHANNHGSNCD-ZDUSSCGKSA-N 1 0 336.388 2.890 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261650833 719869615 /nfs/dbraw/zinc/86/96/15/719869615.db2.gz RKQIRXDLOVSSCW-PWSUYJOCSA-N 1 0 342.237 2.917 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893876732 720137305 /nfs/dbraw/zinc/13/73/05/720137305.db2.gz QWCAXHMWGKLUIS-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000893902868 720147668 /nfs/dbraw/zinc/14/76/68/720147668.db2.gz ZHSXULZXFVHBPS-HNNXBMFYSA-N 1 0 336.388 2.700 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000893936067 720169746 /nfs/dbraw/zinc/16/97/46/720169746.db2.gz UUKSWHOCWDLLMH-UHFFFAOYSA-N 1 0 338.310 2.920 20 5 EFBDRO C[C@@H]1Cc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2O1 ZINC000894078698 720271133 /nfs/dbraw/zinc/27/11/33/720271133.db2.gz LFJIVTDKKAPOKY-CYBMUJFWSA-N 1 0 342.399 2.952 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000893256277 720282370 /nfs/dbraw/zinc/28/23/70/720282370.db2.gz OWBHEBKKUFMRMP-GXTWGEPZSA-N 1 0 338.404 2.992 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000893256589 720283535 /nfs/dbraw/zinc/28/35/35/720283535.db2.gz RPPVNFPUDVUNCG-HNNXBMFYSA-N 1 0 329.404 2.651 20 5 EFBDRO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725543 720332974 /nfs/dbraw/zinc/33/29/74/720332974.db2.gz NLVGVVHBHPNRRU-IAGOWNOFSA-N 1 0 339.399 2.546 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000893284869 720443352 /nfs/dbraw/zinc/44/33/52/720443352.db2.gz KNZRWVHQZIOLCA-HIFRSBDPSA-N 1 0 326.780 2.676 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893320727 720607558 /nfs/dbraw/zinc/60/75/58/720607558.db2.gz UIHDWJGMGCTDKV-UONOGXRCSA-N 1 0 338.404 2.992 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841104320 720662711 /nfs/dbraw/zinc/66/27/11/720662711.db2.gz XVRFHJIFCZHNCQ-SNVBAGLBSA-N 1 0 326.784 2.841 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000894256587 721763862 /nfs/dbraw/zinc/76/38/62/721763862.db2.gz HQZIRTARODUKHW-AWEZNQCLSA-N 1 0 336.388 2.748 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000894266038 721793254 /nfs/dbraw/zinc/79/32/54/721793254.db2.gz ZBKMQFRNJSJYBL-AWEZNQCLSA-N 1 0 344.367 2.792 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983116276 721823417 /nfs/dbraw/zinc/82/34/17/721823417.db2.gz BVVZPZDRTRICOT-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983117478 721824655 /nfs/dbraw/zinc/82/46/55/721824655.db2.gz SKBZTJURUCOJCR-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000894275203 721882807 /nfs/dbraw/zinc/88/28/07/721882807.db2.gz QIDHKHDOCAUHTQ-VXGBXAGGSA-N 1 0 338.404 2.992 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001165035914 721895460 /nfs/dbraw/zinc/89/54/60/721895460.db2.gz PUYSWMGQCXWZGN-HNNXBMFYSA-N 1 0 327.388 2.582 20 5 EFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264658371 721896794 /nfs/dbraw/zinc/89/67/94/721896794.db2.gz KXZQFBWVDSGOQT-INIZCTEOSA-N 1 0 341.415 2.891 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165047242 721968138 /nfs/dbraw/zinc/96/81/38/721968138.db2.gz JVWIZSMNFNDKHQ-CYBMUJFWSA-N 1 0 349.391 2.743 20 5 EFBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983439557 722629006 /nfs/dbraw/zinc/62/90/06/722629006.db2.gz MNQVYLNSYRMXKR-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983439988 722630664 /nfs/dbraw/zinc/63/06/64/722630664.db2.gz WILCPXPSAFDOCS-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983579163 722731279 /nfs/dbraw/zinc/73/12/79/722731279.db2.gz NDCPRAWRYROWDR-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000894555066 722781360 /nfs/dbraw/zinc/78/13/60/722781360.db2.gz PMZRFOZXTKNDOK-CQSZACIVSA-N 1 0 344.367 2.711 20 5 EFBDRO COc1c(O)ccc(CN2CC[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000894602612 722789988 /nfs/dbraw/zinc/78/99/88/722789988.db2.gz VMADVSFGAMJZBO-UHFFFAOYSA-N 1 0 343.383 2.761 20 5 EFBDRO C[NH+](C)CC1(O)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000894954347 723037104 /nfs/dbraw/zinc/03/71/04/723037104.db2.gz ATQLHGFANVBMEI-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000895014060 723050751 /nfs/dbraw/zinc/05/07/51/723050751.db2.gz YGDMDMCMIDGMFH-JQVXPOPVSA-N 1 0 327.388 2.914 20 5 EFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000178943647 723132376 /nfs/dbraw/zinc/13/23/76/723132376.db2.gz IQWSSHBCCAJKNB-UHFFFAOYSA-N 1 0 339.411 2.524 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000984614621 723172654 /nfs/dbraw/zinc/17/26/54/723172654.db2.gz HOZNYIMEYXJVLN-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000909438398 723209159 /nfs/dbraw/zinc/20/91/59/723209159.db2.gz KJMRQICEZYNMMG-LLVKDONJSA-N 1 0 343.786 2.942 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000896520675 723337689 /nfs/dbraw/zinc/33/76/89/723337689.db2.gz LPQXBHGWBNRJKO-OAHLLOKOSA-N 1 0 331.416 2.770 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC=CC1 ZINC000984740871 723391793 /nfs/dbraw/zinc/39/17/93/723391793.db2.gz FATCEPZFRIGRTM-WKILWMFISA-N 1 0 343.427 2.936 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC000984780344 723474756 /nfs/dbraw/zinc/47/47/56/723474756.db2.gz PHYZQSAPNGYENS-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CC2)C1 ZINC000984783342 723478832 /nfs/dbraw/zinc/47/88/32/723478832.db2.gz OAKSPXHJCQGDAL-SAZUREKKSA-N 1 0 343.427 2.769 20 5 EFBDRO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000727079293 723791514 /nfs/dbraw/zinc/79/15/14/723791514.db2.gz YJMHJZVRDDOXMM-GFCCVEGCSA-N 1 0 338.477 2.708 20 5 EFBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985121974 723856254 /nfs/dbraw/zinc/85/62/54/723856254.db2.gz NQODZGLDJMKYLN-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000895212181 723877836 /nfs/dbraw/zinc/87/78/36/723877836.db2.gz TWPSFWARPDMFTL-UHFFFAOYSA-N 1 0 337.420 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000896958864 723914711 /nfs/dbraw/zinc/91/47/11/723914711.db2.gz FULONFPXPYAUFM-HNNXBMFYSA-N 1 0 333.432 2.919 20 5 EFBDRO O=C(OCc1cccnc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)o1 ZINC000923835315 728858498 /nfs/dbraw/zinc/85/84/98/728858498.db2.gz LSNZHVPXTNQLCW-UHFFFAOYSA-N 1 0 345.355 2.926 20 5 EFBDRO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249721 723938364 /nfs/dbraw/zinc/93/83/64/723938364.db2.gz VADKNPQETWQUDN-MFKMUULPSA-N 1 0 346.353 2.660 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000895247492 723941757 /nfs/dbraw/zinc/94/17/57/723941757.db2.gz UTKKGZDNQNLYDM-QMTHXVAHSA-N 1 0 346.353 2.660 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C2CCC2)CC1 ZINC000985198477 723965496 /nfs/dbraw/zinc/96/54/96/723965496.db2.gz KQZSHXFLUBDMJP-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895277618 723976150 /nfs/dbraw/zinc/97/61/50/723976150.db2.gz JVCVFPHUINSEKL-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895327497 724040269 /nfs/dbraw/zinc/04/02/69/724040269.db2.gz DEMWQGPYYHHKRX-PXAZEXFGSA-N 1 0 348.424 2.641 20 5 EFBDRO COc1c(O)ccc(CN[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000895396006 724110509 /nfs/dbraw/zinc/11/05/09/724110509.db2.gz FFIMHPAKKAUMBJ-CYBMUJFWSA-N 1 0 337.420 2.519 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895435013 724129490 /nfs/dbraw/zinc/12/94/90/724129490.db2.gz DSQOMBJIPFRAPF-OAHLLOKOSA-N 1 0 339.823 2.591 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000895437748 724133824 /nfs/dbraw/zinc/13/38/24/724133824.db2.gz YEXMBOBMPLPVNV-NSHDSACASA-N 1 0 339.823 2.985 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000895680426 724258762 /nfs/dbraw/zinc/25/87/62/724258762.db2.gz MJXHPCDKYYXBBV-LURJTMIESA-N 1 0 338.166 2.721 20 5 EFBDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706922 724266175 /nfs/dbraw/zinc/26/61/75/724266175.db2.gz AFCHPCJYCYLGOL-FMFIFOJESA-N 1 0 334.294 2.528 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000918574383 728894529 /nfs/dbraw/zinc/89/45/29/728894529.db2.gz ONQZTIJDZMRLOW-UONOGXRCSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)C[NH+]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728896273 724875670 /nfs/dbraw/zinc/87/56/70/724875670.db2.gz PGLILUWDEYKIQU-UHFFFAOYSA-N 1 0 343.431 2.689 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000151806460 725836474 /nfs/dbraw/zinc/83/64/74/725836474.db2.gz FTSKHSPQTWTIIJ-UHFFFAOYSA-N 1 0 337.468 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000151957871 725882619 /nfs/dbraw/zinc/88/26/19/725882619.db2.gz VVDBTBCMRPVBEA-QGZVFWFLSA-N 1 0 343.431 2.852 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2[N+](=O)[O-])N1 ZINC000152018660 725905964 /nfs/dbraw/zinc/90/59/64/725905964.db2.gz ZLGZQNCKORTPJP-CYBMUJFWSA-N 1 0 342.746 2.694 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900768004 726115779 /nfs/dbraw/zinc/11/57/79/726115779.db2.gz FDDKDVPULBGUOM-UHFFFAOYSA-N 1 0 331.775 2.801 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000914337246 726250852 /nfs/dbraw/zinc/25/08/52/726250852.db2.gz JZCDCTKFRBMLIM-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO C[N@@H+]1CCCN(CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209124 726823019 /nfs/dbraw/zinc/82/30/19/726823019.db2.gz KTVKCWVTOLNPHB-UHFFFAOYSA-N 1 0 349.460 2.644 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000915223975 726905154 /nfs/dbraw/zinc/90/51/54/726905154.db2.gz VHCGZGPQJJVEML-CQSZACIVSA-N 1 0 339.823 2.545 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732567701 727158675 /nfs/dbraw/zinc/15/86/75/727158675.db2.gz RWKBFFFEUIFGSY-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000910282703 727426993 /nfs/dbraw/zinc/42/69/93/727426993.db2.gz IRPHKGYHYKTOEI-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910281931 727427064 /nfs/dbraw/zinc/42/70/64/727427064.db2.gz NQAOLWFUHKDRDR-AWEZNQCLSA-N 1 0 333.432 2.815 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000910294827 727431047 /nfs/dbraw/zinc/43/10/47/727431047.db2.gz JCBKTTBYHHZIKG-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910296450 727431203 /nfs/dbraw/zinc/43/12/03/727431203.db2.gz NEVACDHENLQSGS-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000911192418 727507195 /nfs/dbraw/zinc/50/71/95/727507195.db2.gz DONWQEQTDUHEGY-UHFFFAOYSA-N 1 0 343.786 2.990 20 5 EFBDRO [NH3+][C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000911769701 727596071 /nfs/dbraw/zinc/59/60/71/727596071.db2.gz XXIAAXGAGJFUBB-YESZJQIVSA-N 1 0 325.368 2.515 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911830693 727604661 /nfs/dbraw/zinc/60/46/61/727604661.db2.gz QYDUAWHIYKMZAZ-HNNXBMFYSA-N 1 0 325.434 2.810 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911817460 727607006 /nfs/dbraw/zinc/60/70/06/727607006.db2.gz DHEHPOVFTAKRQO-AWEZNQCLSA-N 1 0 337.445 2.954 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911864144 727608260 /nfs/dbraw/zinc/60/82/60/727608260.db2.gz NCOMLPVUXHTSMI-IAGOWNOFSA-N 1 0 331.416 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000916023351 727648774 /nfs/dbraw/zinc/64/87/74/727648774.db2.gz OBKFCHTVLFNGSR-OAHLLOKOSA-N 1 0 334.445 2.852 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000733165252 727709174 /nfs/dbraw/zinc/70/91/74/727709174.db2.gz AFRPYFAJUQSJBC-DOMZBBRYSA-N 1 0 339.461 2.778 20 5 EFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603414 727729411 /nfs/dbraw/zinc/72/94/11/727729411.db2.gz ZOHCINHQXPRQJH-OLZOCXBDSA-N 1 0 337.807 2.851 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000150812632 727732594 /nfs/dbraw/zinc/73/25/94/727732594.db2.gz MVFHVOWNJNWBHT-ZDUSSCGKSA-N 1 0 335.379 2.600 20 5 EFBDRO COc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912806445 727744713 /nfs/dbraw/zinc/74/47/13/727744713.db2.gz FMMRBBJUSBTYLY-DZGCQCFKSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000912812889 727747713 /nfs/dbraw/zinc/74/77/13/727747713.db2.gz CCFFMTMHPMCHNH-LRDDRELGSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000912816011 727749039 /nfs/dbraw/zinc/74/90/39/727749039.db2.gz SQRJJJZVDUWVPD-NWDGAFQWSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000913098182 727781183 /nfs/dbraw/zinc/78/11/83/727781183.db2.gz ZVAKLUROEKYTGW-WBVHZDCISA-N 1 0 347.459 2.849 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000913098181 727781237 /nfs/dbraw/zinc/78/12/37/727781237.db2.gz ZVAKLUROEKYTGW-RDJZCZTQSA-N 1 0 347.459 2.849 20 5 EFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000151176698 727795159 /nfs/dbraw/zinc/79/51/59/727795159.db2.gz JEMFLNFXZULIHB-GASCZTMLSA-N 1 0 340.383 2.508 20 5 EFBDRO CC(C)C[C@H]1CCCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000129618499 727955380 /nfs/dbraw/zinc/95/53/80/727955380.db2.gz IRGAPYFOVHKVIZ-GFCCVEGCSA-N 1 0 331.372 2.659 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596124570 728340363 /nfs/dbraw/zinc/34/03/63/728340363.db2.gz YYIGWZSIIYVAHI-LLVKDONJSA-N 1 0 328.363 2.580 20 5 EFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173307982 728622159 /nfs/dbraw/zinc/62/21/59/728622159.db2.gz VPXDWNZCTFIJDM-YVEFUNNKSA-N 1 0 346.383 2.996 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000173447249 728626719 /nfs/dbraw/zinc/62/67/19/728626719.db2.gz GZPRYLAQYDMGQM-AWEZNQCLSA-N 1 0 331.420 2.566 20 5 EFBDRO Cc1cc[nH]c1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000991946449 728646795 /nfs/dbraw/zinc/64/67/95/728646795.db2.gz LTOSRHSJAIHGMG-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000232638985 728671877 /nfs/dbraw/zinc/67/18/77/728671877.db2.gz QPPFMGZPJLGCBB-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000154939119 728999158 /nfs/dbraw/zinc/99/91/58/728999158.db2.gz CJPWFAUHZDYLJH-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175521333 729506802 /nfs/dbraw/zinc/50/68/02/729506802.db2.gz PDEHUYBIJWEMPF-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000237762811 729621326 /nfs/dbraw/zinc/62/13/26/729621326.db2.gz UFXYLDLNAAMRAJ-UHFFFAOYSA-N 1 0 339.395 2.972 20 5 EFBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000068548487 729718824 /nfs/dbraw/zinc/71/88/24/729718824.db2.gz QPWBVAMLAVOGIB-AWEZNQCLSA-N 1 0 348.447 2.870 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000873191355 1126119198 /nfs/dbraw/zinc/11/91/98/1126119198.db2.gz MQLHFUITARDXOO-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000873191972 1126119872 /nfs/dbraw/zinc/11/98/72/1126119872.db2.gz VHSMBFBIJUGMTM-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000873190911 1126118593 /nfs/dbraw/zinc/11/85/93/1126118593.db2.gz FTRUTGOASNDCRV-IBGZPJMESA-N 1 0 344.411 2.995 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000931606195 1126137234 /nfs/dbraw/zinc/13/72/34/1126137234.db2.gz YXRRWRLWWJOZFY-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO C[C@H](C(=O)N1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575049938 1088214632 /nfs/dbraw/zinc/21/46/32/1088214632.db2.gz VWOFWEKLVGQMEJ-UHXUPSOCSA-N 1 0 337.395 2.812 20 5 EFBDRO CC(C)(C(=O)N1C[C@@H]2CCCC[C@@]2(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001575101445 1088242030 /nfs/dbraw/zinc/24/20/30/1088242030.db2.gz ZHGZEZGOYMIDBH-HNAYVOBHSA-N 1 0 345.443 2.850 20 5 EFBDRO CC(C)(C(=O)N1C[C@@H]2CCCC[C@]2(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001575101446 1088243138 /nfs/dbraw/zinc/24/31/38/1088243138.db2.gz ZHGZEZGOYMIDBH-KXBFYZLASA-N 1 0 345.443 2.850 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)Nc2ncccc2C[NH3+])cc1[N+](=O)[O-] ZINC001575273429 1088357042 /nfs/dbraw/zinc/35/70/42/1088357042.db2.gz YDSUGIWFVOBOAO-UHFFFAOYSA-N 1 0 328.372 2.998 20 5 EFBDRO CC(C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC001575414789 1088454248 /nfs/dbraw/zinc/45/42/48/1088454248.db2.gz SXJXKRGMLZZJHH-PELKAZGASA-N 1 0 331.775 2.623 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001575540028 1088542550 /nfs/dbraw/zinc/54/25/50/1088542550.db2.gz DRTUNGOIVMVELN-NSHDSACASA-N 1 0 325.384 2.501 20 5 EFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001575740069 1088654372 /nfs/dbraw/zinc/65/43/72/1088654372.db2.gz OWOXWTGASLLPLH-LLVKDONJSA-N 1 0 342.346 2.598 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001576110385 1088939429 /nfs/dbraw/zinc/93/94/29/1088939429.db2.gz YUASUMCKTCHRIJ-IAQYHMDHSA-N 1 0 343.387 2.877 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001576131039 1088950296 /nfs/dbraw/zinc/95/02/96/1088950296.db2.gz VDLMRRSGMIUNMX-ZFWWWQNUSA-N 1 0 339.395 2.999 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576153699 1088963025 /nfs/dbraw/zinc/96/30/25/1088963025.db2.gz YHDFAAKMKJEHDI-NWDGAFQWSA-N 1 0 328.372 2.512 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576153701 1088963384 /nfs/dbraw/zinc/96/33/84/1088963384.db2.gz YHDFAAKMKJEHDI-RYUDHWBXSA-N 1 0 328.372 2.512 20 5 EFBDRO C[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176304 1088978109 /nfs/dbraw/zinc/97/81/09/1088978109.db2.gz VGVDBCQAEANOCT-BMLIUANNSA-N 1 0 349.337 2.924 20 5 EFBDRO CC1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[NH2+]C1 ZINC001576356530 1089138026 /nfs/dbraw/zinc/13/80/26/1089138026.db2.gz ORICLZJFNRKTPK-UHFFFAOYSA-N 1 0 327.340 2.935 20 5 EFBDRO CC1(C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCC[NH2+][C@H]21 ZINC001576388787 1089175492 /nfs/dbraw/zinc/17/54/92/1089175492.db2.gz CGUQYNOZLXOPPN-COLVAYQJSA-N 1 0 327.388 2.727 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001576439328 1089238333 /nfs/dbraw/zinc/23/83/33/1089238333.db2.gz AZGUHQYIZSQXLO-HNNXBMFYSA-N 1 0 328.372 2.860 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576479561 1089286434 /nfs/dbraw/zinc/28/64/34/1089286434.db2.gz FBWHSMLISWVSLF-LBPRGKRZSA-N 1 0 345.321 2.732 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576530753 1089311508 /nfs/dbraw/zinc/31/15/08/1089311508.db2.gz NUGQVHKGHRKSQM-DYVFJYSZSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001576531563 1089313721 /nfs/dbraw/zinc/31/37/21/1089313721.db2.gz UGPHCWNXUZDDOA-WMLDXEAASA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC001576649812 1089378942 /nfs/dbraw/zinc/37/89/42/1089378942.db2.gz IHEIJQIMJSCGAD-SCVCMEIPSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@H]1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH2+]1 ZINC001576665447 1089386417 /nfs/dbraw/zinc/38/64/17/1089386417.db2.gz GBKSJORQVGXXIT-JSGCOSHPSA-N 1 0 335.407 2.552 20 5 EFBDRO C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC001576699529 1089402885 /nfs/dbraw/zinc/40/28/85/1089402885.db2.gz YFPVSOUKJYJNDS-RISCZKNCSA-N 1 0 341.358 2.663 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC001576784172 1089458809 /nfs/dbraw/zinc/45/88/09/1089458809.db2.gz YSAWMARFKIWAIR-ZJUUUORDSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC001576784170 1089459414 /nfs/dbraw/zinc/45/94/14/1089459414.db2.gz YSAWMARFKIWAIR-UWVGGRQHSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H](C)[NH2+]1 ZINC001576807627 1089469021 /nfs/dbraw/zinc/46/90/21/1089469021.db2.gz SHYYDOQNKDWIPG-HTQZYQBOSA-N 1 0 334.239 2.601 20 5 EFBDRO C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806893 1089469311 /nfs/dbraw/zinc/46/93/11/1089469311.db2.gz KSHDHNUEZJQRPR-BDAKNGLRSA-N 1 0 348.266 2.836 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001576881464 1089505420 /nfs/dbraw/zinc/50/54/20/1089505420.db2.gz VKSUQHOVKRBGAT-VGMNWLOBSA-N 1 0 329.759 2.598 20 5 EFBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001576886116 1089507373 /nfs/dbraw/zinc/50/73/73/1089507373.db2.gz NTOPRHFVHAIXGL-KPXOXKRLSA-N 1 0 332.278 2.739 20 5 EFBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001576886122 1089508629 /nfs/dbraw/zinc/50/86/29/1089508629.db2.gz NTOPRHFVHAIXGL-XXILOJSOSA-N 1 0 332.278 2.739 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001577390396 1089904702 /nfs/dbraw/zinc/90/47/02/1089904702.db2.gz MFUOYCPELVAPQR-LLVKDONJSA-N 1 0 325.384 2.645 20 5 EFBDRO CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001577643545 1090098864 /nfs/dbraw/zinc/09/88/64/1090098864.db2.gz ILBRNNYAECZHGO-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577642067 1090099020 /nfs/dbraw/zinc/09/90/20/1090099020.db2.gz ZZSOEAFBIUUWDR-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH3+])C(C)C ZINC001577745324 1090163485 /nfs/dbraw/zinc/16/34/85/1090163485.db2.gz IMKUZWUSGZECFI-UHFFFAOYSA-N 1 0 346.435 2.827 20 5 EFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH3+])C(C)C ZINC001577745482 1090163838 /nfs/dbraw/zinc/16/38/38/1090163838.db2.gz JXWIOKPSLUOMMQ-CYBMUJFWSA-N 1 0 346.435 2.683 20 5 EFBDRO CC[NH2+][C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001577800556 1090186836 /nfs/dbraw/zinc/18/68/36/1090186836.db2.gz UGUAOZXKFFLQCL-SNVBAGLBSA-N 1 0 325.796 2.989 20 5 EFBDRO CC[NH2+]C1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001577818242 1090194747 /nfs/dbraw/zinc/19/47/47/1090194747.db2.gz GKGBPXFUIYDGPF-UHFFFAOYSA-N 1 0 325.796 2.771 20 5 EFBDRO CCNc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC001577902519 1090209680 /nfs/dbraw/zinc/20/96/80/1090209680.db2.gz RKLFGGZWGIGAJS-HNNXBMFYSA-N 1 0 334.420 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(Cc3cn[nH]n3)CCCCC2)cc1 ZINC001578048811 1090235882 /nfs/dbraw/zinc/23/58/82/1090235882.db2.gz QVEMYWFCCWPVCE-UHFFFAOYSA-N 1 0 345.403 2.627 20 5 EFBDRO CCOc1cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001578168371 1090287437 /nfs/dbraw/zinc/28/74/37/1090287437.db2.gz KXAOOLDUXGUKDP-QGZVFWFLSA-N 1 0 348.403 2.601 20 5 EFBDRO CCOc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001578171818 1090288502 /nfs/dbraw/zinc/28/85/02/1090288502.db2.gz WPKILYXPUSBMES-RDTXWAMCSA-N 1 0 347.415 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC001578189123 1090298533 /nfs/dbraw/zinc/29/85/33/1090298533.db2.gz CMFLCWORHCBYCA-STQMWFEESA-N 1 0 335.404 2.958 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001578275367 1090327871 /nfs/dbraw/zinc/32/78/71/1090327871.db2.gz KBITVABCYMODIQ-CQSZACIVSA-N 1 0 331.347 2.726 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC001578389466 1090359414 /nfs/dbraw/zinc/35/94/14/1090359414.db2.gz NBSPICSVYFYSLR-UHFFFAOYSA-N 1 0 331.294 2.567 20 5 EFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1(C[NH3+])CCCCC1 ZINC001578391656 1090360738 /nfs/dbraw/zinc/36/07/38/1090360738.db2.gz HKYWUWKUHKWDFD-UHFFFAOYSA-N 1 0 325.796 2.982 20 5 EFBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001578675349 1090417909 /nfs/dbraw/zinc/41/79/09/1090417909.db2.gz NNAKYDGJDHFMHN-BHYGNILZSA-N 1 0 331.416 2.689 20 5 EFBDRO C[NH2+]CCCN(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001578687168 1090420548 /nfs/dbraw/zinc/42/05/48/1090420548.db2.gz PBXOIEGJCVEYGI-UHFFFAOYSA-N 1 0 327.384 2.872 20 5 EFBDRO C[NH2+]CCOc1ccccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001578715617 1090424911 /nfs/dbraw/zinc/42/49/11/1090424911.db2.gz APFNADSAWZYWLZ-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC001579150587 1090527661 /nfs/dbraw/zinc/52/76/61/1090527661.db2.gz ONUJVJWVGWKBID-ZDUSSCGKSA-N 1 0 331.347 2.633 20 5 EFBDRO COc1cc(CN(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC001579150762 1090527854 /nfs/dbraw/zinc/52/78/54/1090527854.db2.gz ULGBNUAMDZPOBF-UHFFFAOYSA-N 1 0 347.390 2.746 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC001579179146 1090535781 /nfs/dbraw/zinc/53/57/81/1090535781.db2.gz DRYMBQGITOUOJD-XFBWCDHKSA-N 1 0 343.383 2.846 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579229282 1090551889 /nfs/dbraw/zinc/55/18/89/1090551889.db2.gz SUSXTTBBKSSOAI-TUKIKUTGSA-N 1 0 348.403 2.502 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC[C@@]12CCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001579410772 1090608270 /nfs/dbraw/zinc/60/82/70/1090608270.db2.gz ITSUBIJGHAWSAZ-KDOFPFPSSA-N 1 0 346.431 2.974 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C[NH3+])C1 ZINC001579423465 1090610846 /nfs/dbraw/zinc/61/08/46/1090610846.db2.gz UARLEFWGIAVXTO-HIFRSBDPSA-N 1 0 349.434 2.881 20 5 EFBDRO Cc1c(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539741 1090629479 /nfs/dbraw/zinc/62/94/79/1090629479.db2.gz KNQQYINIFMDZHM-SCZZXKLOSA-N 1 0 331.294 2.859 20 5 EFBDRO Cc1c(NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001579537978 1090629542 /nfs/dbraw/zinc/62/95/42/1090629542.db2.gz KDGWPOONYWEMLZ-UHFFFAOYSA-N 1 0 331.294 2.774 20 5 EFBDRO Cc1c(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001579539471 1090629604 /nfs/dbraw/zinc/62/96/04/1090629604.db2.gz HSWWHYIBVKYFAL-VHSXEESVSA-N 1 0 346.309 2.504 20 5 EFBDRO Cc1c(NC(=O)[C@@]2(C)CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC001579542012 1090630052 /nfs/dbraw/zinc/63/00/52/1090630052.db2.gz KWCDLSLHDGNHKG-CYBMUJFWSA-N 1 0 342.193 2.746 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001579605465 1090641135 /nfs/dbraw/zinc/64/11/35/1090641135.db2.gz SFJWHCYWHVUKNX-NSHDSACASA-N 1 0 348.737 2.675 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001579605284 1090641172 /nfs/dbraw/zinc/64/11/72/1090641172.db2.gz OFNXBQPOFWRGGC-UHFFFAOYSA-N 1 0 325.796 2.676 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC001579605646 1090641873 /nfs/dbraw/zinc/64/18/73/1090641873.db2.gz WLVNPYCSKFVFDX-CYBMUJFWSA-N 1 0 325.796 2.804 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001579605857 1090641899 /nfs/dbraw/zinc/64/18/99/1090641899.db2.gz ZNNOAPYGCQGXHG-XYPYZODXSA-N 1 0 325.796 2.804 20 5 EFBDRO Cc1cc(N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])s1 ZINC001579622014 1090645688 /nfs/dbraw/zinc/64/56/88/1090645688.db2.gz DMSRHIYULOJRJM-OBJOEFQTSA-N 1 0 325.434 2.687 20 5 EFBDRO Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001579625851 1090646091 /nfs/dbraw/zinc/64/60/91/1090646091.db2.gz CEXYAKWHWSJAOT-ZDUSSCGKSA-N 1 0 342.399 2.592 20 5 EFBDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579634713 1090648100 /nfs/dbraw/zinc/64/81/00/1090648100.db2.gz FEIYQTIMWROOKE-CQSZACIVSA-N 1 0 343.387 2.585 20 5 EFBDRO Cc1cc(S(=O)(=O)Oc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])s1 ZINC001579641268 1090649070 /nfs/dbraw/zinc/64/90/70/1090649070.db2.gz PNOSHIWQHPGGLP-SECBINFHSA-N 1 0 342.398 2.752 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC001579642478 1090649727 /nfs/dbraw/zinc/64/97/27/1090649727.db2.gz HZOOTVWEZRTJGE-JTQLQIEISA-N 1 0 325.796 2.675 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC001579642780 1090649911 /nfs/dbraw/zinc/64/99/11/1090649911.db2.gz VQDGDIRDZIJEQQ-HNNXBMFYSA-N 1 0 328.372 2.508 20 5 EFBDRO Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001579715628 1090669255 /nfs/dbraw/zinc/66/92/55/1090669255.db2.gz ZIEDUYGBMUKWOH-CQSZACIVSA-N 1 0 326.356 2.659 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2CCC[NH2+]CC2)c1 ZINC001579734082 1090673635 /nfs/dbraw/zinc/67/36/35/1090673635.db2.gz MOEWQSFAAOULSK-OAHLLOKOSA-N 1 0 349.431 2.568 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOC2(CCC([NH3+])CC2)C1 ZINC001579734117 1090674079 /nfs/dbraw/zinc/67/40/79/1090674079.db2.gz OBNPHIAXDIOSAU-SYJJWHGVSA-N 1 0 333.432 2.937 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734792 1090674252 /nfs/dbraw/zinc/67/42/52/1090674252.db2.gz MCQHQQWTSDYKKU-KSSFIOAISA-N 1 0 331.416 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734793 1090674415 /nfs/dbraw/zinc/67/44/15/1090674415.db2.gz MCQHQQWTSDYKKU-RDTXWAMCSA-N 1 0 331.416 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC001579734539 1090674553 /nfs/dbraw/zinc/67/45/53/1090674553.db2.gz UWDMUVHRYWQIJZ-BWBHSNQOSA-N 1 0 335.429 2.845 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1 ZINC001579734334 1090674602 /nfs/dbraw/zinc/67/46/02/1090674602.db2.gz FAXLWZSZPFAQRG-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1C ZINC001579734341 1090674605 /nfs/dbraw/zinc/67/46/05/1090674605.db2.gz FONQXEKOSFWDHP-KRWDZBQOSA-N 1 0 339.395 2.998 20 5 EFBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001579790307 1090688185 /nfs/dbraw/zinc/68/81/85/1090688185.db2.gz QSMNPEURBFAUQB-QGZVFWFLSA-N 1 0 327.384 2.604 20 5 EFBDRO Cc1sc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579933914 1090725799 /nfs/dbraw/zinc/72/57/99/1090725799.db2.gz BIVJGSHNTUXNAV-TVQRCGJNSA-N 1 0 346.412 2.963 20 5 EFBDRO [NH3+][C@H](CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccccc1 ZINC001580117906 1090777668 /nfs/dbraw/zinc/77/76/68/1090777668.db2.gz FEBWMTBPXOGIHY-CYBMUJFWSA-N 1 0 329.331 2.713 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCCCC1 ZINC001580150269 1090791095 /nfs/dbraw/zinc/79/10/95/1090791095.db2.gz GUCUGLCFWJAOCM-UHFFFAOYSA-N 1 0 329.759 2.779 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001580158875 1090793317 /nfs/dbraw/zinc/79/33/17/1090793317.db2.gz ZLKWHMVOMLCTHU-OCCSQVGLSA-N 1 0 329.322 2.927 20 5 EFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001580158874 1090793404 /nfs/dbraw/zinc/79/34/04/1090793404.db2.gz ZLKWHMVOMLCTHU-JSGCOSHPSA-N 1 0 329.322 2.927 20 5 EFBDRO [NH3+]C1CCC2(CC1)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC001580173337 1090799549 /nfs/dbraw/zinc/79/95/49/1090799549.db2.gz LVLUXGLTZIVGEA-UHFFFAOYSA-N 1 0 339.823 2.721 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580177533 1090801262 /nfs/dbraw/zinc/80/12/62/1090801262.db2.gz QCBCGXWMUNLJOT-HYVNUMGLSA-N 1 0 331.416 2.818 20 5 EFBDRO [NH3+][C@@H]1CCc2ccccc2N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001580204637 1090809724 /nfs/dbraw/zinc/80/97/24/1090809724.db2.gz QBFDEKZGAJJBBW-LLVKDONJSA-N 1 0 347.321 2.793 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580206513 1090810250 /nfs/dbraw/zinc/81/02/50/1090810250.db2.gz HLTIGBYKAMRONC-ZDUSSCGKSA-N 1 0 345.786 2.707 20 5 EFBDRO [NH3+]C[C@]12CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001580252499 1090833407 /nfs/dbraw/zinc/83/34/07/1090833407.db2.gz BIMUAAQTARYUMY-MEDUHNTESA-N 1 0 337.807 2.839 20 5 EFBDRO [NH3+]C[C@@]12CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001580252500 1090833508 /nfs/dbraw/zinc/83/35/08/1090833508.db2.gz BIMUAAQTARYUMY-ZBEGNZNMSA-N 1 0 337.807 2.839 20 5 EFBDRO [NH3+]C[C@@]12CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]1CCCC2 ZINC001580256613 1090836787 /nfs/dbraw/zinc/83/67/87/1090836787.db2.gz WOCLAUZEMAIASL-HZMBPMFUSA-N 1 0 344.337 2.964 20 5 EFBDRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001580287347 1090849405 /nfs/dbraw/zinc/84/94/05/1090849405.db2.gz OCNCYOAGFPKFJX-SECBINFHSA-N 1 0 346.309 2.816 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001580289544 1090851462 /nfs/dbraw/zinc/85/14/62/1090851462.db2.gz LUELWTYVXBORCD-INIZCTEOSA-N 1 0 345.374 2.873 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001580297242 1090853233 /nfs/dbraw/zinc/85/32/33/1090853233.db2.gz MNBCIYUOMOFNSJ-UHFFFAOYSA-N 1 0 337.395 2.644 20 5 EFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C2 ZINC001580334948 1090866927 /nfs/dbraw/zinc/86/69/27/1090866927.db2.gz LDOXZWRWEFSKHC-BONVTDFDSA-N 1 0 341.770 2.588 20 5 EFBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580481212 1090914626 /nfs/dbraw/zinc/91/46/26/1090914626.db2.gz HATGNFKEOLVJMT-JQHSSLGASA-N 1 0 343.427 2.831 20 5 EFBDRO O=C(CC[NH2+]C1CC1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001580538070 1090939080 /nfs/dbraw/zinc/93/90/80/1090939080.db2.gz QDQFTAMIRJEVJU-ZDUSSCGKSA-N 1 0 332.278 2.884 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cccc1[N+](=O)[O-] ZINC001580550923 1090944662 /nfs/dbraw/zinc/94/46/62/1090944662.db2.gz LZJDMIMNIQKKHV-UHFFFAOYSA-N 1 0 342.334 2.512 20 5 EFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC001580569473 1090954411 /nfs/dbraw/zinc/95/44/11/1090954411.db2.gz JCKRZULTMWHZTC-UHFFFAOYSA-N 1 0 337.807 2.534 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001580573599 1090955268 /nfs/dbraw/zinc/95/52/68/1090955268.db2.gz CEZAVAWVAKITRQ-OAHLLOKOSA-N 1 0 349.406 2.515 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001580652337 1090977246 /nfs/dbraw/zinc/97/72/46/1090977246.db2.gz VKUGYGOPAKSVRT-VIFPVBQESA-N 1 0 332.187 2.774 20 5 EFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001580655451 1090977918 /nfs/dbraw/zinc/97/79/18/1090977918.db2.gz XWBPUFYWZZTAQE-ZCFIWIBFSA-N 1 0 336.150 2.523 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001580682895 1090984859 /nfs/dbraw/zinc/98/48/59/1090984859.db2.gz YNQGAQSCDJFMEG-MRXNPFEDSA-N 1 0 348.447 2.749 20 5 EFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001580756738 1090997692 /nfs/dbraw/zinc/99/76/92/1090997692.db2.gz JGGULWFJGRJLGS-AEFFLSMTSA-N 1 0 344.415 2.553 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc2c(c1)C[NH2+]C2 ZINC001580769709 1091003001 /nfs/dbraw/zinc/00/30/01/1091003001.db2.gz ADLLPEUMEJGECP-UHFFFAOYSA-N 1 0 334.335 2.999 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC2(CC[NH2+]2)CC1 ZINC001580812270 1091017624 /nfs/dbraw/zinc/01/76/24/1091017624.db2.gz UEDQVUHHHRVGCS-UHFFFAOYSA-N 1 0 343.305 2.582 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001580821182 1091020299 /nfs/dbraw/zinc/02/02/99/1091020299.db2.gz QDHTYSFPTRKYAZ-NWDGAFQWSA-N 1 0 337.807 2.710 20 5 EFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC2(CC[NH2+]C2)CC1 ZINC001580876272 1091031557 /nfs/dbraw/zinc/03/15/57/1091031557.db2.gz IHRYEVJALFCWFV-UHFFFAOYSA-N 1 0 330.363 2.862 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104396879 1092432534 /nfs/dbraw/zinc/43/25/34/1092432534.db2.gz KXFFCTLDHSRYAV-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589974047 1093205655 /nfs/dbraw/zinc/20/56/55/1093205655.db2.gz OIGIIRZKURKBFH-WDEREUQCSA-N 1 0 339.359 2.582 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590238473 1093324614 /nfs/dbraw/zinc/32/46/14/1093324614.db2.gz HJINBKFPLSRLGZ-GHMZBOCLSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001590307015 1093366691 /nfs/dbraw/zinc/36/66/91/1093366691.db2.gz DAZBMFOTEXHUNL-TYNCELHUSA-N 1 0 342.403 2.785 20 5 EFBDRO CCC(CC)[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001590433021 1093419714 /nfs/dbraw/zinc/41/97/14/1093419714.db2.gz WDYIECOSWUERNG-AWEZNQCLSA-N 1 0 347.423 2.553 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590600508 1093509711 /nfs/dbraw/zinc/50/97/11/1093509711.db2.gz KYBDNPQLHQHGHX-GFCCVEGCSA-N 1 0 347.423 2.616 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591770227 1093852565 /nfs/dbraw/zinc/85/25/65/1093852565.db2.gz WGXGHODSRUIRIT-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO Cc1cc(OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC001592058710 1093970825 /nfs/dbraw/zinc/97/08/25/1093970825.db2.gz CRZROOBHXNMXPW-UHFFFAOYSA-N 1 0 340.343 2.674 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001593467364 1094311669 /nfs/dbraw/zinc/31/16/69/1094311669.db2.gz PKEYOVZQNUSZQU-CQSZACIVSA-N 1 0 342.403 2.787 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC2(CCC2)CC1 ZINC001593482143 1094325493 /nfs/dbraw/zinc/32/54/93/1094325493.db2.gz LPZGTUYTZDWOQF-UHFFFAOYSA-N 1 0 328.376 2.541 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000836242468 1094327842 /nfs/dbraw/zinc/32/78/42/1094327842.db2.gz NDVCOSFHHVAWJD-UHFFFAOYSA-N 1 0 325.796 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218397858 1094485258 /nfs/dbraw/zinc/48/52/58/1094485258.db2.gz ABWRPSOPAQJPCY-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947425 1095070767 /nfs/dbraw/zinc/07/07/67/1095070767.db2.gz RJFHCUQESZTCQW-ONGXEEELSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1Br ZINC001217980743 1095213483 /nfs/dbraw/zinc/21/34/83/1095213483.db2.gz MTKNZTPTDYUXEB-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CC[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001218031108 1095441436 /nfs/dbraw/zinc/44/14/36/1095441436.db2.gz MSPRCAUMXZGMJJ-LDYMZIIASA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C[C@H]1F ZINC001218071411 1095532153 /nfs/dbraw/zinc/53/21/53/1095532153.db2.gz PJYDUJACJAAWPU-KOLCDFICSA-N 1 0 333.157 2.745 20 5 EFBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000107670134 1095613993 /nfs/dbraw/zinc/61/39/93/1095613993.db2.gz CXZBZUGCEIXYLP-AWEZNQCLSA-N 1 0 330.388 2.774 20 5 EFBDRO Cc1sccc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167698716 1095999342 /nfs/dbraw/zinc/99/93/42/1095999342.db2.gz JPKBPKGIVIBMND-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218284554 1096050008 /nfs/dbraw/zinc/05/00/08/1096050008.db2.gz XOGOMCFNXCVTKE-JTQLQIEISA-N 1 0 343.177 2.691 20 5 EFBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C2)C1 ZINC001603880075 1096653432 /nfs/dbraw/zinc/65/34/32/1096653432.db2.gz DQHFHPDLBUPIBT-PXAZEXFGSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603883164 1096655132 /nfs/dbraw/zinc/65/51/32/1096655132.db2.gz XSCXSOAJGYHWMA-SUNKGSAMSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603891564 1096661572 /nfs/dbraw/zinc/66/15/72/1096661572.db2.gz STQDPUBYFYCEGQ-SMDDNHRTSA-N 1 0 330.392 2.785 20 5 EFBDRO CC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001604063244 1096716862 /nfs/dbraw/zinc/71/68/62/1096716862.db2.gz XCFXAYLMSDCZRY-STQMWFEESA-N 1 0 330.392 2.689 20 5 EFBDRO CCC[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604144854 1096750671 /nfs/dbraw/zinc/75/06/71/1096750671.db2.gz NBWFRTIHZLCIIC-AWEZNQCLSA-N 1 0 330.392 2.833 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(F)c1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001605440377 1097125582 /nfs/dbraw/zinc/12/55/82/1097125582.db2.gz HINUKELCNHMUHL-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO C[C@H]([NH2+]Cc1csc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001605440272 1097125605 /nfs/dbraw/zinc/12/56/05/1097125605.db2.gz CIUOMQRVUSSNGE-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccnc2c1ccc1cccnc12 ZINC001269224196 1097959775 /nfs/dbraw/zinc/95/97/75/1097959775.db2.gz GQPFFATUIUBRAB-IRXDYDNUSA-N 1 0 332.407 2.702 20 5 EFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609153922 1098170939 /nfs/dbraw/zinc/17/09/39/1098170939.db2.gz FWBJFHFMMJIQOO-WOPDTQHZSA-N 1 0 330.392 2.641 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609223213 1098210897 /nfs/dbraw/zinc/21/08/97/1098210897.db2.gz ZFZNBDNOLXSZRY-LBPRGKRZSA-N 1 0 347.423 2.697 20 5 EFBDRO CC[N@H+](Cc1cccs1)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609225453 1098212883 /nfs/dbraw/zinc/21/28/83/1098212883.db2.gz MPYCUSYFYTWQQU-UHFFFAOYSA-N 1 0 344.400 2.859 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccccc3)c2)CC1 ZINC000028955603 1098565100 /nfs/dbraw/zinc/56/51/00/1098565100.db2.gz FSMCLELVLWKGBI-UHFFFAOYSA-N 1 0 340.383 2.599 20 5 EFBDRO C[NH+]1CC2(C1)CCCN(C(=O)c1ccnc3c1ccc1cccnc13)C2 ZINC001270439919 1099093270 /nfs/dbraw/zinc/09/32/70/1099093270.db2.gz CKYNJZDVVFVEBH-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c2ccc(O)cc12 ZINC001167983199 1099422441 /nfs/dbraw/zinc/42/24/41/1099422441.db2.gz AIGJESMRBWLESM-UHFFFAOYSA-N 1 0 337.339 2.622 20 5 EFBDRO [NH3+]CCc1cn(-c2ncc3cccc([N+](=O)[O-])c3n2)c2ccc(O)cc12 ZINC001167983516 1099422532 /nfs/dbraw/zinc/42/25/32/1099422532.db2.gz RMUYFTJKNHMBRW-UHFFFAOYSA-N 1 0 349.350 2.689 20 5 EFBDRO C[NH+](C)CCNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001161671037 1099569964 /nfs/dbraw/zinc/56/99/64/1099569964.db2.gz GSVVXARBHUUHTG-UHFFFAOYSA-N 1 0 339.193 2.879 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(Br)cnc2n1 ZINC001226320341 1099659534 /nfs/dbraw/zinc/65/95/34/1099659534.db2.gz CWFSENFAMSHTHO-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000843776215 1100184303 /nfs/dbraw/zinc/18/43/03/1100184303.db2.gz YYJAJVFGMIKXQT-RYUDHWBXSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000843778156 1100287634 /nfs/dbraw/zinc/28/76/34/1100287634.db2.gz BKMMXZBXGDLGOB-ZDUSSCGKSA-N 1 0 337.395 2.893 20 5 EFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc3nc4ccccc4nc31)CC2 ZINC001271027412 1100394037 /nfs/dbraw/zinc/39/40/37/1100394037.db2.gz JBEKUROFSPXWTP-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO CC(C)(C)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000048946445 1100616280 /nfs/dbraw/zinc/61/62/80/1100616280.db2.gz BRBSOYXGIWSXNF-UHFFFAOYSA-N 1 0 343.225 2.673 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227287061 1101262116 /nfs/dbraw/zinc/26/21/16/1101262116.db2.gz RFYSDDUBYAXZCK-QMMMGPOBSA-N 1 0 333.157 2.969 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC001210949044 1101349012 /nfs/dbraw/zinc/34/90/12/1101349012.db2.gz FSCFXKOAMZUXQY-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167071595 1101401986 /nfs/dbraw/zinc/40/19/86/1101401986.db2.gz MDGWRNYMXYEVGP-UHFFFAOYSA-N 1 0 328.347 2.902 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c1C ZINC001167098319 1101648257 /nfs/dbraw/zinc/64/82/57/1101648257.db2.gz FSXRDFXXWPLDSZ-UHFFFAOYSA-N 1 0 338.371 2.574 20 5 EFBDRO C[NH2+]Cc1c(C)nn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c1C ZINC001167098390 1101648482 /nfs/dbraw/zinc/64/84/82/1101648482.db2.gz MPJPBNKITQYSIL-UHFFFAOYSA-N 1 0 345.737 2.774 20 5 EFBDRO CC[C@H](c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167131589 1101849631 /nfs/dbraw/zinc/84/96/31/1101849631.db2.gz IRBBICRQBIPLHA-CQSZACIVSA-N 1 0 327.388 2.659 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC001167167797 1101972815 /nfs/dbraw/zinc/97/28/15/1101972815.db2.gz QAZNAJAPBYJDHM-UHFFFAOYSA-N 1 0 349.406 2.721 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001167259708 1102181011 /nfs/dbraw/zinc/18/10/11/1102181011.db2.gz BVFBYNCNBHYDBQ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1cscc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125375143 1102340239 /nfs/dbraw/zinc/34/02/39/1102340239.db2.gz IPJAOKFVWKXNBP-UHFFFAOYSA-N 1 0 325.415 2.546 20 5 EFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000783595180 1102371527 /nfs/dbraw/zinc/37/15/27/1102371527.db2.gz KBXYSOKFPYJDJM-CYBMUJFWSA-N 1 0 332.791 2.994 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001167320034 1102571269 /nfs/dbraw/zinc/57/12/69/1102571269.db2.gz IHPOUQUCXSOODH-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000905642088 1103457520 /nfs/dbraw/zinc/45/75/20/1103457520.db2.gz YBOQVNOORUUNDK-UHFFFAOYSA-N 1 0 349.431 2.966 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOc2cccc(F)c2)c1 ZINC000905704709 1103515459 /nfs/dbraw/zinc/51/54/59/1103515459.db2.gz OMGIIMYXATZTNT-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000905986395 1103794291 /nfs/dbraw/zinc/79/42/91/1103794291.db2.gz XZUHGABWDNWNAT-XIUQWWLSSA-N 1 0 331.416 2.638 20 5 EFBDRO CC1(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001126646213 1104005622 /nfs/dbraw/zinc/00/56/22/1104005622.db2.gz FPSMYWHIECPTFW-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC001168391604 1104187724 /nfs/dbraw/zinc/18/77/24/1104187724.db2.gz SOCIEZMRDWDCTF-UHFFFAOYSA-N 1 0 333.413 2.874 20 5 EFBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841759532 1104828498 /nfs/dbraw/zinc/82/84/98/1104828498.db2.gz ZLDVJFRZGBEARS-INIZCTEOSA-N 1 0 340.445 2.775 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000897876383 1106126613 /nfs/dbraw/zinc/12/66/13/1106126613.db2.gz NVKANPYXTQFKRS-GOSISDBHSA-N 1 0 331.416 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1C ZINC000897921613 1106152322 /nfs/dbraw/zinc/15/23/22/1106152322.db2.gz KEPDIURYBNRSSR-UHFFFAOYSA-N 1 0 331.416 2.958 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000843793712 1106192119 /nfs/dbraw/zinc/19/21/19/1106192119.db2.gz WVVNTURXKJCALP-ZDUSSCGKSA-N 1 0 335.379 2.743 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898167012 1106256954 /nfs/dbraw/zinc/25/69/54/1106256954.db2.gz ZFVDMASPZZEGON-YESZJQIVSA-N 1 0 345.443 2.574 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172621 1106259219 /nfs/dbraw/zinc/25/92/19/1106259219.db2.gz SBGSWXIMYHXAGJ-UHFFFAOYSA-N 1 0 330.384 2.818 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@H](O)C3CC3)cs2)c1 ZINC000898202206 1106261002 /nfs/dbraw/zinc/26/10/02/1106261002.db2.gz FNDKELMXDGYNAK-OAHLLOKOSA-N 1 0 333.413 2.969 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC000989902283 1106800442 /nfs/dbraw/zinc/80/04/42/1106800442.db2.gz ONHLXDLJUCPDGT-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCN(Cc3ccccn3)CC2)ccc1Cl ZINC000127907550 1107647974 /nfs/dbraw/zinc/64/79/74/1107647974.db2.gz XHIHXPRHNVQWPW-UHFFFAOYSA-N 1 0 346.818 2.961 20 5 EFBDRO O=C(CCC1CC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990356195 1107656113 /nfs/dbraw/zinc/65/61/13/1107656113.db2.gz AKRZSKULSNBPDG-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO COC(=O)c1cc(F)c(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001233731423 1108182932 /nfs/dbraw/zinc/18/29/32/1108182932.db2.gz XUJBPNSMUCYJFU-VIFPVBQESA-N 1 0 349.220 2.848 20 5 EFBDRO CC(C)N1CCC[C@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000923888412 1108215458 /nfs/dbraw/zinc/21/54/58/1108215458.db2.gz LZAUYWZSQCQWLA-AWEZNQCLSA-N 1 0 328.315 2.789 20 5 EFBDRO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905061168 1108384696 /nfs/dbraw/zinc/38/46/96/1108384696.db2.gz QKLJMWGISXLDMV-AWEZNQCLSA-N 1 0 333.354 2.955 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990613194 1108389993 /nfs/dbraw/zinc/38/99/93/1108389993.db2.gz YOBFJYQAKYXIHO-ONEGZZNKSA-N 1 0 335.429 2.703 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC1CCSCC1 ZINC000898442556 1108946520 /nfs/dbraw/zinc/94/65/20/1108946520.db2.gz PLRFBYRIVPVPPZ-UHFFFAOYSA-N 1 0 340.445 2.995 20 5 EFBDRO COCCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842172930 1109095751 /nfs/dbraw/zinc/09/57/51/1109095751.db2.gz GNSBQCSEYSVOMX-UHFFFAOYSA-N 1 0 329.784 2.545 20 5 EFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000898849712 1109104976 /nfs/dbraw/zinc/10/49/76/1109104976.db2.gz UZGBJZAHBZNGMP-KGLIPLIRSA-N 1 0 337.807 2.851 20 5 EFBDRO CC(C)Oc1cc(C(=O)O[C@H]2CCN(CCF)C2)ccc1[N+](=O)[O-] ZINC000842347120 1109531513 /nfs/dbraw/zinc/53/15/13/1109531513.db2.gz OFAUEZFMHPEHED-ZDUSSCGKSA-N 1 0 340.351 2.583 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906816 1109546104 /nfs/dbraw/zinc/54/61/04/1109546104.db2.gz PNENHWCWLMOWAU-SNVBAGLBSA-N 1 0 336.310 2.694 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc(C2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936443 1109977445 /nfs/dbraw/zinc/97/74/45/1109977445.db2.gz IAPPGEIJGKRELP-QZTJIDSGSA-N 1 0 345.443 2.605 20 5 EFBDRO O=C(C=C1CCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990954019 1110063907 /nfs/dbraw/zinc/06/39/07/1110063907.db2.gz JKBWMIOHPQNGKD-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1ccc(OC3COC3)cc1)C[NH2+]C2 ZINC001168464289 1111084692 /nfs/dbraw/zinc/08/46/92/1111084692.db2.gz ZEVOQUZAKSIXLH-UHFFFAOYSA-N 1 0 341.367 2.588 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877551 1111428998 /nfs/dbraw/zinc/42/89/98/1111428998.db2.gz OFMSQUNQHOFIJJ-SNVBAGLBSA-N 1 0 345.193 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)c2nonc21 ZINC000914863718 1111450104 /nfs/dbraw/zinc/45/01/04/1111450104.db2.gz WZDHPTRORCOKST-UHFFFAOYSA-N 1 0 339.355 2.601 20 5 EFBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001106810974 1111870068 /nfs/dbraw/zinc/87/00/68/1111870068.db2.gz XOLMMAJRCSJTSV-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001106847695 1111910058 /nfs/dbraw/zinc/91/00/58/1111910058.db2.gz BATMATFAOIGBSU-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000053250794 214173125 /nfs/dbraw/zinc/17/31/25/214173125.db2.gz VKJSBJXQUJVSHQ-NSHDSACASA-N 1 0 328.210 2.888 20 5 EFBDRO CC1(C)CC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000054646361 214247882 /nfs/dbraw/zinc/24/78/82/214247882.db2.gz WXTCXXIVHUPLAX-UHFFFAOYSA-N 1 0 348.447 2.746 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000173090997 230876409 /nfs/dbraw/zinc/87/64/09/230876409.db2.gz BHLXGRZZHVBFSF-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173230297 230900663 /nfs/dbraw/zinc/90/06/63/230900663.db2.gz FLRLWXYIWZIADC-SOUVJXGZSA-N 1 0 333.432 2.620 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000155074580 282150025 /nfs/dbraw/zinc/15/00/25/282150025.db2.gz DMMIJMMTZSTOKJ-UHFFFAOYSA-N 1 0 328.372 2.623 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183615 231142744 /nfs/dbraw/zinc/14/27/44/231142744.db2.gz DIYOVMYVOKMHJF-CABCVRRESA-N 1 0 346.431 2.783 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174451505 231211750 /nfs/dbraw/zinc/21/17/50/231211750.db2.gz WHEKZHBEUXXJLJ-LBPRGKRZSA-N 1 0 336.779 2.726 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174277344 529599542 /nfs/dbraw/zinc/59/95/42/529599542.db2.gz NVMZSMSFGWWEPR-CQSZACIVSA-N 1 0 331.416 2.715 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778712 529711902 /nfs/dbraw/zinc/71/19/02/529711902.db2.gz YQLLWGQLCFSILZ-ZBFHGGJFSA-N 1 0 338.404 2.608 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000067206785 282273101 /nfs/dbraw/zinc/27/31/01/282273101.db2.gz SEVFBMOXWUMSJB-INIZCTEOSA-N 1 0 325.368 2.728 20 5 EFBDRO CCc1nn(C)c(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000160233048 529767755 /nfs/dbraw/zinc/76/77/55/529767755.db2.gz VTOJENHMZXZMCB-BBRMVZONSA-N 1 0 343.431 2.823 20 5 EFBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130724188 529911689 /nfs/dbraw/zinc/91/16/89/529911689.db2.gz FYWQFPZPWLFHDI-UHFFFAOYSA-N 1 0 345.399 2.619 20 5 EFBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539940 232243059 /nfs/dbraw/zinc/24/30/59/232243059.db2.gz VANNSIIXKIBSRH-ALOPSCKCSA-N 1 0 345.443 2.954 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178626860 232316108 /nfs/dbraw/zinc/31/61/08/232316108.db2.gz IFPXBWPUJONTSD-RHSMWYFYSA-N 1 0 333.432 2.910 20 5 EFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178642003 232327996 /nfs/dbraw/zinc/32/79/96/232327996.db2.gz ICUSFZNLQAUOAJ-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681185 232371497 /nfs/dbraw/zinc/37/14/97/232371497.db2.gz BFUATFYLHUJSOH-CMPLNLGQSA-N 1 0 345.321 2.717 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000178681200 232370211 /nfs/dbraw/zinc/37/02/11/232370211.db2.gz BFUATFYLHUJSOH-PWSUYJOCSA-N 1 0 345.321 2.717 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000101912602 219172594 /nfs/dbraw/zinc/17/25/94/219172594.db2.gz FHLNPUQIEJNIMZ-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377574 215036843 /nfs/dbraw/zinc/03/68/43/215036843.db2.gz OZGMPQIQJGZNPU-NFAWXSAZSA-N 1 0 339.461 2.730 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066726849 215074196 /nfs/dbraw/zinc/07/41/96/215074196.db2.gz UZJPQBWXXOVZNS-UHFFFAOYSA-N 1 0 331.372 2.912 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000102637287 219216959 /nfs/dbraw/zinc/21/69/59/219216959.db2.gz RVESVMFIFDHDSD-LBPRGKRZSA-N 1 0 337.395 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179499197 233105019 /nfs/dbraw/zinc/10/50/19/233105019.db2.gz HXFOMAGBRPPDFU-AWEZNQCLSA-N 1 0 327.388 2.970 20 5 EFBDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000179519267 233128016 /nfs/dbraw/zinc/12/80/16/233128016.db2.gz GSCUFTULLWZCIQ-UHFFFAOYSA-N 1 0 344.371 2.884 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000179850990 233503520 /nfs/dbraw/zinc/50/35/20/233503520.db2.gz KXZSDMVVYWRNQN-ZDUSSCGKSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180934942 234034587 /nfs/dbraw/zinc/03/45/87/234034587.db2.gz LRNHSUMBJUNNDJ-KBPBESRZSA-N 1 0 348.447 2.665 20 5 EFBDRO Cc1cc(N[C@H](C)CN2CCCC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181462163 234194716 /nfs/dbraw/zinc/19/47/16/234194716.db2.gz CXZTVDLGEBMERG-GFCCVEGCSA-N 1 0 328.372 2.874 20 5 EFBDRO Cc1cc(NCCCN2CCOC2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501478 234208730 /nfs/dbraw/zinc/20/87/30/234208730.db2.gz NTCNOLCNVOOOLT-UHFFFAOYSA-N 1 0 330.344 2.706 20 5 EFBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521390 234216005 /nfs/dbraw/zinc/21/60/05/234216005.db2.gz UILDXMDFVUQVGV-HOCLYGCPSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543063 234224256 /nfs/dbraw/zinc/22/42/56/234224256.db2.gz VLOFWXSQCQDFMV-GOEBONIOSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181646649 234268016 /nfs/dbraw/zinc/26/80/16/234268016.db2.gz CLNHUWBXGPMGFJ-HOCLYGCPSA-N 1 0 345.443 2.907 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000181825821 234339717 /nfs/dbraw/zinc/33/97/17/234339717.db2.gz UCLGKGHZQAKDKU-GFCCVEGCSA-N 1 0 333.413 2.932 20 5 EFBDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353749359 146551798 /nfs/dbraw/zinc/55/17/98/146551798.db2.gz FSOMHFBPIKETQO-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000040091054 213262978 /nfs/dbraw/zinc/26/29/78/213262978.db2.gz RQSDGRPOIHYRPU-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000183391195 235045280 /nfs/dbraw/zinc/04/52/80/235045280.db2.gz BJXPFPOILPHMRH-LBPRGKRZSA-N 1 0 345.403 2.625 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343600590 291063616 /nfs/dbraw/zinc/06/36/16/291063616.db2.gz DILYNDYKKFXGOE-QWHCGFSZSA-N 1 0 327.388 2.601 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000353760295 146554245 /nfs/dbraw/zinc/55/42/45/146554245.db2.gz QKYVUQSTGZOYAA-UHFFFAOYSA-N 1 0 348.330 2.576 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183641095 291114334 /nfs/dbraw/zinc/11/43/34/291114334.db2.gz NUZLIQXASCSQGT-STQMWFEESA-N 1 0 349.435 2.868 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000187360755 236189266 /nfs/dbraw/zinc/18/92/66/236189266.db2.gz ULUUAJKFMJQILG-CHWSQXEVSA-N 1 0 340.445 2.767 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000187888767 236327322 /nfs/dbraw/zinc/32/73/22/236327322.db2.gz QFXALHAGSLHZIU-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000248846358 545604802 /nfs/dbraw/zinc/60/48/02/545604802.db2.gz RXQLDXFTSITLAM-HFBAOOFYSA-N 1 0 349.431 2.623 20 5 EFBDRO C[C@@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129372313 223048953 /nfs/dbraw/zinc/04/89/53/223048953.db2.gz DTFZMAASEFJZCZ-GFCCVEGCSA-N 1 0 329.198 2.554 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000228549349 283588284 /nfs/dbraw/zinc/58/82/84/283588284.db2.gz UKMKWGUJMVZTHG-MVWJERBFSA-N 1 0 340.221 2.921 20 5 EFBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000072579518 216277357 /nfs/dbraw/zinc/27/73/57/216277357.db2.gz MHANBNDGSBNJTJ-JKSUJKDBSA-N 1 0 332.404 2.529 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000072930017 216328119 /nfs/dbraw/zinc/32/81/19/216328119.db2.gz FMURITSTZHEMRZ-CMPLNLGQSA-N 1 0 338.795 2.949 20 5 EFBDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072976086 216334622 /nfs/dbraw/zinc/33/46/22/216334622.db2.gz HENYGPRYXGBPHI-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976959 216335602 /nfs/dbraw/zinc/33/56/02/216335602.db2.gz HUFBCWCGUZIVCJ-ZDUSSCGKSA-N 1 0 346.387 2.893 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175959246 239293039 /nfs/dbraw/zinc/29/30/39/239293039.db2.gz SFDQXDMQRBKILK-GOSISDBHSA-N 1 0 344.415 2.515 20 5 EFBDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177535283 239379887 /nfs/dbraw/zinc/37/98/87/239379887.db2.gz XVUQZJLFZLYPDW-GASCZTMLSA-N 1 0 329.400 2.606 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192043576 239463169 /nfs/dbraw/zinc/46/31/69/239463169.db2.gz OXNJEBQKGQDMGL-HUUCEWRRSA-N 1 0 336.779 2.565 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376486116 291306176 /nfs/dbraw/zinc/30/61/76/291306176.db2.gz GVEWLDUNSYLIMN-SMDDNHRTSA-N 1 0 337.807 2.947 20 5 EFBDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748605 239863830 /nfs/dbraw/zinc/86/38/30/239863830.db2.gz GECSIWUMCWFWKR-UHFFFAOYSA-N 1 0 343.427 2.960 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192456753 240048058 /nfs/dbraw/zinc/04/80/58/240048058.db2.gz VGJHCGRPPOYSDY-VXGBXAGGSA-N 1 0 328.438 2.600 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])s2)c1 ZINC000192550256 240050698 /nfs/dbraw/zinc/05/06/98/240050698.db2.gz QKBXXADJVARJQZ-UHFFFAOYSA-N 1 0 336.417 2.628 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000192670173 240058016 /nfs/dbraw/zinc/05/80/16/240058016.db2.gz VNNMQKKEGIHYIP-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO C[C@@H]1CN(CCN(C)c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000193738305 240123616 /nfs/dbraw/zinc/12/36/16/240123616.db2.gz ZEAKJINCXPSFSE-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO CCOc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000193739142 240124045 /nfs/dbraw/zinc/12/40/45/240124045.db2.gz YVEVQBUOMYQDCP-OKILXGFUSA-N 1 0 337.420 2.539 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000132623839 223348635 /nfs/dbraw/zinc/34/86/35/223348635.db2.gz UMUKNXALUVFCQT-SMDDNHRTSA-N 1 0 335.404 2.858 20 5 EFBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000194942253 240191085 /nfs/dbraw/zinc/19/10/85/240191085.db2.gz VSKCMBKQCLRIFG-GOSISDBHSA-N 1 0 349.431 2.839 20 5 EFBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000193700803 240273144 /nfs/dbraw/zinc/27/31/44/240273144.db2.gz KVRMFXVSDWSICS-BDJLRTHQSA-N 1 0 345.424 2.938 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132660824 223352165 /nfs/dbraw/zinc/35/21/65/223352165.db2.gz USJKBZWJNDJQDH-SMDDNHRTSA-N 1 0 335.404 2.858 20 5 EFBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000195116839 240837911 /nfs/dbraw/zinc/83/79/11/240837911.db2.gz FFJRCNVQFJXMOV-ZDUSSCGKSA-N 1 0 341.367 2.950 20 5 EFBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCC1 ZINC000218907128 241350875 /nfs/dbraw/zinc/35/08/75/241350875.db2.gz QYOKGBCWALFMGU-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132925559 223374660 /nfs/dbraw/zinc/37/46/60/223374660.db2.gz ORNNDWDFCLKKLP-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO CC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000231628788 242269672 /nfs/dbraw/zinc/26/96/72/242269672.db2.gz RSLICFYEPGXWKJ-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000230214840 242251847 /nfs/dbraw/zinc/25/18/47/242251847.db2.gz INBOUOFXXLJJSQ-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236710840 242329394 /nfs/dbraw/zinc/32/93/94/242329394.db2.gz CCCGKWMWSUTOMU-QGZVFWFLSA-N 1 0 334.420 2.662 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236810866 242366037 /nfs/dbraw/zinc/36/60/37/242366037.db2.gz KXHDLMJVPMGRNG-UHFFFAOYSA-N 1 0 333.310 2.861 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000237038231 242455863 /nfs/dbraw/zinc/45/58/63/242455863.db2.gz RZCBRWQWSARXOQ-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000237836764 242815554 /nfs/dbraw/zinc/81/55/54/242815554.db2.gz NPPFCELWAZPZSR-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411411703 242826025 /nfs/dbraw/zinc/82/60/25/242826025.db2.gz YTDLWZFZUBWEDA-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000411945026 243038884 /nfs/dbraw/zinc/03/88/84/243038884.db2.gz KCIZQPVUHXAWEL-JTQLQIEISA-N 1 0 345.321 2.524 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411964051 243048533 /nfs/dbraw/zinc/04/85/33/243048533.db2.gz CWVIFVLJMIHNDD-PXAZEXFGSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1nnc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)[nH]1 ZINC000412032727 243081057 /nfs/dbraw/zinc/08/10/57/243081057.db2.gz REGDSTFKIQDPJD-ZDUSSCGKSA-N 1 0 345.403 2.798 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000245755410 243154374 /nfs/dbraw/zinc/15/43/74/243154374.db2.gz DTMKPJRPNNGIAB-LBEHMCEESA-N 1 0 347.415 2.777 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000412141697 243165619 /nfs/dbraw/zinc/16/56/19/243165619.db2.gz WVWDDVOYRXAOJY-VBNZEHGJSA-N 1 0 333.432 2.791 20 5 EFBDRO CC[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000245567272 243131747 /nfs/dbraw/zinc/13/17/47/243131747.db2.gz UIPUSBNZZPSHFP-DYVFJYSZSA-N 1 0 344.415 2.995 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246149373 243202292 /nfs/dbraw/zinc/20/22/92/243202292.db2.gz CSZIHUSJHDUTTI-YCPHGPKFSA-N 1 0 348.447 2.946 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412152938 243172919 /nfs/dbraw/zinc/17/29/19/243172919.db2.gz MKJIGXLEJYLSSN-AWEZNQCLSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000246481018 243259214 /nfs/dbraw/zinc/25/92/14/243259214.db2.gz RSCNRMAIVFLGFA-CJNGLKHVSA-N 1 0 332.404 2.536 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312894 243260971 /nfs/dbraw/zinc/26/09/71/243260971.db2.gz VJRQSGMCUJITQK-GVDBMIGSSA-N 1 0 345.443 2.935 20 5 EFBDRO CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246288157 243225252 /nfs/dbraw/zinc/22/52/52/243225252.db2.gz CXMZUWFIUKXQNJ-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412260950 243234724 /nfs/dbraw/zinc/23/47/24/243234724.db2.gz WPUWDNQOYHYCDT-JKSUJKDBSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000412392990 243301834 /nfs/dbraw/zinc/30/18/34/243301834.db2.gz COFRFKVEUCCKPV-HPEDKQMDSA-N 1 0 326.356 2.717 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412349010 243280104 /nfs/dbraw/zinc/28/01/04/243280104.db2.gz SFCJHMIXZNWELG-BVPBIZIASA-N 1 0 343.427 2.784 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000246945494 243339097 /nfs/dbraw/zinc/33/90/97/243339097.db2.gz LEMLGTMEMBIFQU-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO COC1CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414184202 244035248 /nfs/dbraw/zinc/03/52/48/244035248.db2.gz OIWZRUBCTRXOFC-PREGVCBESA-N 1 0 344.415 2.965 20 5 EFBDRO COC1([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414318082 244086910 /nfs/dbraw/zinc/08/69/10/244086910.db2.gz PVLFOHRDTAXSNL-CHWSQXEVSA-N 1 0 335.404 2.859 20 5 EFBDRO COCC[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414487279 244191517 /nfs/dbraw/zinc/19/15/17/244191517.db2.gz VFQMJQRWQRSTJO-ZDUSSCGKSA-N 1 0 332.404 2.758 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CS1 ZINC000414500701 244196366 /nfs/dbraw/zinc/19/63/66/244196366.db2.gz MGUOMWJLOGLJKV-RISCZKNCSA-N 1 0 332.429 2.979 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414526163 244211189 /nfs/dbraw/zinc/21/11/89/244211189.db2.gz KRBGUTSOUFRYNX-AEFFLSMTSA-N 1 0 346.431 2.880 20 5 EFBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000414691447 244294491 /nfs/dbraw/zinc/29/44/91/244294491.db2.gz BUAIOJPMMUKWRU-GOEBONIOSA-N 1 0 340.383 2.780 20 5 EFBDRO [NH3+]C1(c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000414623246 244259061 /nfs/dbraw/zinc/25/90/61/244259061.db2.gz DEXAEJPPJYRMIM-UHFFFAOYSA-N 1 0 330.344 2.521 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414655781 244277465 /nfs/dbraw/zinc/27/74/65/244277465.db2.gz HJUYIYNSTQKIJY-BBRMVZONSA-N 1 0 332.404 2.981 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000414655254 244278387 /nfs/dbraw/zinc/27/83/87/244278387.db2.gz GVPSLMIHTPGFBB-AWEZNQCLSA-N 1 0 332.404 2.757 20 5 EFBDRO C[NH2+]Cc1cccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000414875404 244381762 /nfs/dbraw/zinc/38/17/62/244381762.db2.gz ZWBLRNWZXWNFHG-UHFFFAOYSA-N 1 0 331.372 2.944 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874493 244382546 /nfs/dbraw/zinc/38/25/46/244382546.db2.gz BAZGGTBCCMXBKI-OALUTQOASA-N 1 0 341.411 2.839 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414883655 244387308 /nfs/dbraw/zinc/38/73/08/244387308.db2.gz NRZSXOFHETVYMI-HNNXBMFYSA-N 1 0 326.400 2.814 20 5 EFBDRO COC[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]1 ZINC000414945040 244397153 /nfs/dbraw/zinc/39/71/53/244397153.db2.gz PPZPBLBYKXDCMY-SFHVURJKSA-N 1 0 345.399 2.713 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415665940 244444509 /nfs/dbraw/zinc/44/45/09/244444509.db2.gz WARVLCIRKAMYMT-IACUBPJLSA-N 1 0 348.403 2.585 20 5 EFBDRO Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000261541636 244598274 /nfs/dbraw/zinc/59/82/74/244598274.db2.gz LDUWXNKXEFDGPV-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261754149 244666734 /nfs/dbraw/zinc/66/67/34/244666734.db2.gz JGYJPXIYMHXAOW-TXEJJXNPSA-N 1 0 345.424 2.881 20 5 EFBDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000262299355 244910468 /nfs/dbraw/zinc/91/04/68/244910468.db2.gz AEADGLZZCJCAEL-QWRGUYRKSA-N 1 0 325.796 2.595 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417127332 245035388 /nfs/dbraw/zinc/03/53/88/245035388.db2.gz GBGFKGIWFBVFEK-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261830385 296159771 /nfs/dbraw/zinc/15/97/71/296159771.db2.gz XPBGVCSIWBQMSL-ZDUSSCGKSA-N 1 0 337.807 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCN1CCOCC1)CCCC2 ZINC000417297927 245071296 /nfs/dbraw/zinc/07/12/96/245071296.db2.gz JSIBYHMTHKXNKV-GOSISDBHSA-N 1 0 333.432 2.674 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417385739 245076282 /nfs/dbraw/zinc/07/62/82/245076282.db2.gz RXUVSJJKCGMCBV-AWEZNQCLSA-N 1 0 336.432 2.683 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418312149 245117934 /nfs/dbraw/zinc/11/79/34/245117934.db2.gz NHAMFWVTMFRPAK-STQMWFEESA-N 1 0 334.420 2.517 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322995 245121346 /nfs/dbraw/zinc/12/13/46/245121346.db2.gz UKCCUBPBOYPCIL-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418426659 245152945 /nfs/dbraw/zinc/15/29/45/245152945.db2.gz NHAWEDFUEPYNMD-RHSMWYFYSA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418384315 245141228 /nfs/dbraw/zinc/14/12/28/245141228.db2.gz KCQDUFCPVWHWEA-UHFFFAOYSA-N 1 0 334.420 2.785 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262792553 245180660 /nfs/dbraw/zinc/18/06/60/245180660.db2.gz DGRJEAWPXCSDKA-PWSUYJOCSA-N 1 0 346.412 2.589 20 5 EFBDRO CC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]CC1 ZINC000418518535 245181996 /nfs/dbraw/zinc/18/19/96/245181996.db2.gz MVPXMQKILCSKEU-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000418558499 245193824 /nfs/dbraw/zinc/19/38/24/245193824.db2.gz XQEUMCZOFOZMPO-GOSISDBHSA-N 1 0 346.431 2.659 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418572755 245198764 /nfs/dbraw/zinc/19/87/64/245198764.db2.gz SWZLULZGZGPNON-KGLIPLIRSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418575328 245199858 /nfs/dbraw/zinc/19/98/58/245199858.db2.gz WLDKCLWBZHWDQH-UONOGXRCSA-N 1 0 332.404 2.539 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418676074 245241316 /nfs/dbraw/zinc/24/13/16/245241316.db2.gz RTXGMPOMDGYGNK-CYBMUJFWSA-N 1 0 334.420 2.786 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418725311 245262335 /nfs/dbraw/zinc/26/23/35/245262335.db2.gz OXAFGVSRSQDVDK-ZFWWWQNUSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418770866 245283692 /nfs/dbraw/zinc/28/36/92/245283692.db2.gz ONMRHTRXWXVGRI-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC1(C)C ZINC000419315956 245378425 /nfs/dbraw/zinc/37/84/25/245378425.db2.gz KSFZXZUYVNGIOT-HUUCEWRRSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110348703 220031256 /nfs/dbraw/zinc/03/12/56/220031256.db2.gz DOUPDCHHZTYEIR-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419372567 245393234 /nfs/dbraw/zinc/39/32/34/245393234.db2.gz HANHHXHXSGNORD-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000110438923 220036223 /nfs/dbraw/zinc/03/62/23/220036223.db2.gz VHIFPCWARMXCLF-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO COCCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000419390536 245396727 /nfs/dbraw/zinc/39/67/27/245396727.db2.gz VGKUNNWHOUOKPK-UHFFFAOYSA-N 1 0 329.784 2.545 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415506776 284316063 /nfs/dbraw/zinc/31/60/63/284316063.db2.gz RYWNJSLPOMEKMU-CZUORRHYSA-N 1 0 332.404 2.981 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000341254576 284349871 /nfs/dbraw/zinc/34/98/71/284349871.db2.gz AAYXAVNIBQPLCQ-CQSZACIVSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266349882 284349914 /nfs/dbraw/zinc/34/99/14/284349914.db2.gz CDBRNOSWCGRXPT-CQSZACIVSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000111274378 220130989 /nfs/dbraw/zinc/13/09/89/220130989.db2.gz QAVBLSXZJNEGCZ-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111831353 220202354 /nfs/dbraw/zinc/20/23/54/220202354.db2.gz SQGHCFOJDIAWTA-ZDUSSCGKSA-N 1 0 334.420 2.828 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421350075 245938747 /nfs/dbraw/zinc/93/87/47/245938747.db2.gz KIYOQUWDJFARTR-GJZGRUSLSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000421766412 246105659 /nfs/dbraw/zinc/10/56/59/246105659.db2.gz FCMLHMMXRPOHRN-CQSZACIVSA-N 1 0 331.416 2.958 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000421765878 246106590 /nfs/dbraw/zinc/10/65/90/246106590.db2.gz AUGBTBMIZRFLAA-OAHLLOKOSA-N 1 0 331.416 2.912 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1=O ZINC000421871950 246144642 /nfs/dbraw/zinc/14/46/42/246144642.db2.gz GJMDWWILUSFABE-KGLIPLIRSA-N 1 0 349.431 2.903 20 5 EFBDRO Cc1nn(C)c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000264324533 246353622 /nfs/dbraw/zinc/35/36/22/246353622.db2.gz QZLMWBAJARIBCT-MRXNPFEDSA-N 1 0 343.431 2.613 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCCCC1 ZINC000422739663 246439323 /nfs/dbraw/zinc/43/93/23/246439323.db2.gz LULSIGUWAAYHPR-UHFFFAOYSA-N 1 0 342.399 2.925 20 5 EFBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000424000238 246674338 /nfs/dbraw/zinc/67/43/38/246674338.db2.gz OAWDSROGXVEKQP-GOSISDBHSA-N 1 0 339.395 2.944 20 5 EFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000425255611 247018293 /nfs/dbraw/zinc/01/82/93/247018293.db2.gz NKEZXQXYKOZTCD-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000425257134 247019030 /nfs/dbraw/zinc/01/90/30/247019030.db2.gz QICFLGILPDKZGD-UHFFFAOYSA-N 1 0 345.403 2.957 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000425273089 247024372 /nfs/dbraw/zinc/02/43/72/247024372.db2.gz ASOSIFCSOSATEU-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425656980 247159372 /nfs/dbraw/zinc/15/93/72/247159372.db2.gz AKIAATOHSPZUPZ-XJKSGUPXSA-N 1 0 332.404 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425664766 247162324 /nfs/dbraw/zinc/16/23/24/247162324.db2.gz UVSLNIMAMFQBAR-DZGCQCFKSA-N 1 0 332.404 2.770 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425694689 247170553 /nfs/dbraw/zinc/17/05/53/247170553.db2.gz XJVXOYMOQLKZPX-JLJPHGGASA-N 1 0 346.431 2.700 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000426247693 247254679 /nfs/dbraw/zinc/25/46/79/247254679.db2.gz GDXQFEYRRLAVSA-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO CC1(C)CC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000088281424 217744562 /nfs/dbraw/zinc/74/45/62/217744562.db2.gz RWWUPYDHGBQPFT-UHFFFAOYSA-N 1 0 333.432 2.953 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426794607 247298138 /nfs/dbraw/zinc/29/81/38/247298138.db2.gz VHPOFZXBLVXFEG-NSHDSACASA-N 1 0 327.812 2.636 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426321364 247261063 /nfs/dbraw/zinc/26/10/63/247261063.db2.gz CHXAOAVRXOEYEK-CHWSQXEVSA-N 1 0 333.392 2.924 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000426326605 247262588 /nfs/dbraw/zinc/26/25/88/247262588.db2.gz YPAOIRHPGUIPMD-LLVKDONJSA-N 1 0 346.387 2.961 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000427203836 247329895 /nfs/dbraw/zinc/32/98/95/247329895.db2.gz KZHVJLXWXSCKKG-UHFFFAOYSA-N 1 0 339.339 2.660 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000265259966 247348306 /nfs/dbraw/zinc/34/83/06/247348306.db2.gz DKOMXZLRLUUAPY-OAHLLOKOSA-N 1 0 348.447 2.587 20 5 EFBDRO CCC[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427601149 247369559 /nfs/dbraw/zinc/36/95/59/247369559.db2.gz KBRCGKQJHAHQHJ-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000429480752 247642297 /nfs/dbraw/zinc/64/22/97/247642297.db2.gz KWEJEXGDWNWRFE-ZDUSSCGKSA-N 1 0 327.384 2.864 20 5 EFBDRO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429840853 247693936 /nfs/dbraw/zinc/69/39/36/247693936.db2.gz CRPHZWRNXRTEJX-UHFFFAOYSA-N 1 0 345.443 2.863 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433075365 248012576 /nfs/dbraw/zinc/01/25/76/248012576.db2.gz HASFOGPFKFEXCX-INIZCTEOSA-N 1 0 327.384 2.636 20 5 EFBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000433202767 248028005 /nfs/dbraw/zinc/02/80/05/248028005.db2.gz TZLNHYSFJYATTB-LBPRGKRZSA-N 1 0 329.356 2.613 20 5 EFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCSC1 ZINC000433197716 248028183 /nfs/dbraw/zinc/02/81/83/248028183.db2.gz UFWMTXUTIKBIMU-HNNXBMFYSA-N 1 0 340.445 2.947 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000266012233 248028321 /nfs/dbraw/zinc/02/83/21/248028321.db2.gz QCHXVEKBGPNILM-UAXWRAGISA-N 1 0 347.415 2.633 20 5 EFBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433203224 248028580 /nfs/dbraw/zinc/02/85/80/248028580.db2.gz WQLZGSCNORDSHF-AWEZNQCLSA-N 1 0 340.445 2.947 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[N@@H+]3C3CC3)ccc2c1 ZINC000433812257 248092209 /nfs/dbraw/zinc/09/22/09/248092209.db2.gz VGNBXSJGFKBJHC-MRXNPFEDSA-N 1 0 326.400 2.994 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000266111742 248104973 /nfs/dbraw/zinc/10/49/73/248104973.db2.gz VCHJAULSAPCMAU-IUODEOHRSA-N 1 0 344.415 2.878 20 5 EFBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000266124345 248114466 /nfs/dbraw/zinc/11/44/66/248114466.db2.gz BCCYXKAQBRIVLZ-NSHDSACASA-N 1 0 348.346 2.701 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000266126045 248115079 /nfs/dbraw/zinc/11/50/79/248115079.db2.gz YWRWGJBUOZHESL-PXAZEXFGSA-N 1 0 344.415 2.878 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266344519 248257222 /nfs/dbraw/zinc/25/72/22/248257222.db2.gz IRNHNJVPWUECSY-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266282115 248220982 /nfs/dbraw/zinc/22/09/82/248220982.db2.gz AJMIPRINCHQXTD-AWEZNQCLSA-N 1 0 339.823 2.733 20 5 EFBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375143 248232574 /nfs/dbraw/zinc/23/25/74/248232574.db2.gz ZWGBTBCTXKCEPR-NHYWBVRUSA-N 1 0 332.429 2.887 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000435375793 248233050 /nfs/dbraw/zinc/23/30/50/248233050.db2.gz WOARZXXNTSUXEG-OAHLLOKOSA-N 1 0 326.400 2.896 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435381995 248234555 /nfs/dbraw/zinc/23/45/55/248234555.db2.gz ZGMSZPHCXBZGKZ-NWDGAFQWSA-N 1 0 332.429 2.901 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)c1 ZINC000266382025 248274567 /nfs/dbraw/zinc/27/45/67/248274567.db2.gz AYYAODRUABSXAE-MSOLQXFVSA-N 1 0 344.415 2.770 20 5 EFBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266522502 248343734 /nfs/dbraw/zinc/34/37/34/248343734.db2.gz JJXBWYQQSXLRQQ-AEFFLSMTSA-N 1 0 344.415 2.552 20 5 EFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000266538302 248351228 /nfs/dbraw/zinc/35/12/28/248351228.db2.gz PCGQIRVZFFRTJJ-SJLPKXTDSA-N 1 0 344.415 2.606 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202309 284609767 /nfs/dbraw/zinc/60/97/67/284609767.db2.gz JVJXPLHOFGZTCE-VXGBXAGGSA-N 1 0 337.807 2.710 20 5 EFBDRO NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435599972 249382825 /nfs/dbraw/zinc/38/28/25/249382825.db2.gz ZNFGNYIYLSCZCS-HNNXBMFYSA-N 1 0 346.431 2.903 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347944040 284720592 /nfs/dbraw/zinc/72/05/92/284720592.db2.gz PJTXDJIXSQHSHN-RYUDHWBXSA-N 1 0 325.384 2.684 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091892569 218084065 /nfs/dbraw/zinc/08/40/65/218084065.db2.gz FZCRESZFYNPURO-CABCVRRESA-N 1 0 349.431 2.671 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984939 218097856 /nfs/dbraw/zinc/09/78/56/218097856.db2.gz IWLYSUWGHYDBQF-HNNXBMFYSA-N 1 0 333.432 2.934 20 5 EFBDRO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)C ZINC000092563504 218150492 /nfs/dbraw/zinc/15/04/92/218150492.db2.gz HCJPAIOPYRRSAE-UHFFFAOYSA-N 1 0 326.393 2.716 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092938871 218181739 /nfs/dbraw/zinc/18/17/39/218181739.db2.gz UMYOZGZTUHZKPP-CYBMUJFWSA-N 1 0 329.347 2.722 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000010017724 211141543 /nfs/dbraw/zinc/14/15/43/211141543.db2.gz AZPYIKMDHISLPJ-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])s3)CCCC2)CC1 ZINC000443516501 250203670 /nfs/dbraw/zinc/20/36/70/250203670.db2.gz NLWVRMRQGWDNQJ-UHFFFAOYSA-N 1 0 340.449 2.887 20 5 EFBDRO CC(C)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000444199998 250270605 /nfs/dbraw/zinc/27/06/05/250270605.db2.gz BWORQMOKVNEYBA-UHFFFAOYSA-N 1 0 331.416 2.852 20 5 EFBDRO CC(C)(C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000444261827 250278698 /nfs/dbraw/zinc/27/86/98/250278698.db2.gz STYWTOVAFGDCHA-UHFFFAOYSA-N 1 0 339.395 2.792 20 5 EFBDRO CC[N@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444033535 250251735 /nfs/dbraw/zinc/25/17/35/250251735.db2.gz SOLARVXSNVZKPT-UHFFFAOYSA-N 1 0 341.386 2.502 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093838638 218252506 /nfs/dbraw/zinc/25/25/06/218252506.db2.gz BJFNISSMWOZBMT-CQSZACIVSA-N 1 0 344.415 2.854 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000093970200 218258117 /nfs/dbraw/zinc/25/81/17/218258117.db2.gz BLSAOUPVQJQDGS-LBPRGKRZSA-N 1 0 333.432 2.982 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094034185 218261588 /nfs/dbraw/zinc/26/15/88/218261588.db2.gz FMWCVHJELUNSPS-CQSZACIVSA-N 1 0 331.416 2.734 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@]2(CCO)CCOC2)s1 ZINC000447065342 250538659 /nfs/dbraw/zinc/53/86/59/250538659.db2.gz HEGDDXSCFSPFGA-KRWDZBQOSA-N 1 0 348.424 2.954 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000449057085 250897510 /nfs/dbraw/zinc/89/75/10/250897510.db2.gz AVEGUYNYDANJDB-SJLPKXTDSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000449088761 250910513 /nfs/dbraw/zinc/91/05/13/250910513.db2.gz CCNAWZOASCJRME-GJZGRUSLSA-N 1 0 341.411 2.820 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202842 250951195 /nfs/dbraw/zinc/95/11/95/250951195.db2.gz KKRZZMMSOIPZCI-QWHCGFSZSA-N 1 0 343.383 2.803 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000449238507 250964725 /nfs/dbraw/zinc/96/47/25/250964725.db2.gz RPYDRKORHSNHSO-BVPBIZIASA-N 1 0 334.416 2.842 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000449265544 250976595 /nfs/dbraw/zinc/97/65/95/250976595.db2.gz SBRUFKKRENKZSX-XUWXXGDYSA-N 1 0 344.415 2.769 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449405779 251013934 /nfs/dbraw/zinc/01/39/34/251013934.db2.gz ZYBDDOMVYXNXEP-WOSRLPQWSA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449405778 251014906 /nfs/dbraw/zinc/01/49/06/251014906.db2.gz ZYBDDOMVYXNXEP-HEHGZKQESA-N 1 0 337.420 2.963 20 5 EFBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000449404292 251015116 /nfs/dbraw/zinc/01/51/16/251015116.db2.gz UHBKUZOQFDYKHY-CYBMUJFWSA-N 1 0 328.372 2.805 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449504795 251047273 /nfs/dbraw/zinc/04/72/73/251047273.db2.gz WCCKBRFBBDTENG-GASCZTMLSA-N 1 0 348.399 2.769 20 5 EFBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000449520294 251051512 /nfs/dbraw/zinc/05/15/12/251051512.db2.gz RUHWBRDBWOZXTF-ZDUSSCGKSA-N 1 0 329.356 2.565 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434011 251054301 /nfs/dbraw/zinc/05/43/01/251054301.db2.gz HNEKAFXALSAFPJ-RYUDHWBXSA-N 1 0 349.412 2.654 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000449499545 251044750 /nfs/dbraw/zinc/04/47/50/251044750.db2.gz TYXYEVTWWHLBCD-DOMZBBRYSA-N 1 0 338.404 2.859 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449586502 251075329 /nfs/dbraw/zinc/07/53/29/251075329.db2.gz NCEYIUZKFZWRSU-HRHLHYAFSA-N 1 0 342.399 2.851 20 5 EFBDRO [NH3+]CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)F ZINC000449611967 251081545 /nfs/dbraw/zinc/08/15/45/251081545.db2.gz ZYSMKLVSAPRABZ-VIFPVBQESA-N 1 0 329.328 2.522 20 5 EFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449624992 251085097 /nfs/dbraw/zinc/08/50/97/251085097.db2.gz AMCQOUITAXSVLZ-QFSBIZTOSA-N 1 0 335.404 2.715 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449637960 251088018 /nfs/dbraw/zinc/08/80/18/251088018.db2.gz IRQOEPGDKJJEOK-KOLCDFICSA-N 1 0 345.321 2.861 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449586501 251074576 /nfs/dbraw/zinc/07/45/76/251074576.db2.gz NCEYIUZKFZWRSU-HBJANEJGSA-N 1 0 342.399 2.851 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267481243 251097758 /nfs/dbraw/zinc/09/77/58/251097758.db2.gz VASBKSBCXZZFRZ-HIFRSBDPSA-N 1 0 342.399 2.563 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449676449 251112941 /nfs/dbraw/zinc/11/29/41/251112941.db2.gz HEPQQDMIXGJAJF-OLZOCXBDSA-N 1 0 345.403 2.879 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449676448 251113775 /nfs/dbraw/zinc/11/37/75/251113775.db2.gz HEPQQDMIXGJAJF-CHWSQXEVSA-N 1 0 345.403 2.879 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449696717 251121001 /nfs/dbraw/zinc/12/10/01/251121001.db2.gz KYRDIGFAYOZJDS-SMDDNHRTSA-N 1 0 337.445 2.580 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449711158 251125908 /nfs/dbraw/zinc/12/59/08/251125908.db2.gz CVOHWYSIESSAFI-JQWIXIFHSA-N 1 0 346.412 2.576 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000449768033 251149372 /nfs/dbraw/zinc/14/93/72/251149372.db2.gz FJJXQXBUNDDWIE-ZBFHGGJFSA-N 1 0 330.388 2.647 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NC ZINC000449782746 251155079 /nfs/dbraw/zinc/15/50/79/251155079.db2.gz YWOBTDXFXBHPBF-AWEZNQCLSA-N 1 0 333.413 2.938 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450250600 251315717 /nfs/dbraw/zinc/31/57/17/251315717.db2.gz LVMQAKBRHNDWDO-ZDUSSCGKSA-N 1 0 335.404 2.597 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450255397 251317119 /nfs/dbraw/zinc/31/71/19/251317119.db2.gz BKWFNMIAJNYGFU-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000450215849 251300965 /nfs/dbraw/zinc/30/09/65/251300965.db2.gz ONFQEJBDRGQZKF-MRXNPFEDSA-N 1 0 329.404 2.970 20 5 EFBDRO Cn1cc(C[NH2+]CC2(C)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267782449 251342344 /nfs/dbraw/zinc/34/23/44/251342344.db2.gz COBZYFOHYJIQBR-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2nccc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000450361645 251360204 /nfs/dbraw/zinc/36/02/04/251360204.db2.gz DEIUEFRJBPMPNJ-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO CC[NH+](CC)CCOCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450437975 251386241 /nfs/dbraw/zinc/38/62/41/251386241.db2.gz JJDCWOJNQBJYEO-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451480110 251577259 /nfs/dbraw/zinc/57/72/59/251577259.db2.gz PAOXLQXOBAUYFZ-JCURWCKSSA-N 1 0 347.415 2.717 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000451475469 251576199 /nfs/dbraw/zinc/57/61/99/251576199.db2.gz CQBVGMRYXGQPBY-OIISXLGYSA-N 1 0 347.415 2.717 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451481917 251578917 /nfs/dbraw/zinc/57/89/17/251578917.db2.gz BSGMUGGRXCZFCS-WMLDXEAASA-N 1 0 335.404 2.717 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451481915 251579131 /nfs/dbraw/zinc/57/91/31/251579131.db2.gz BSGMUGGRXCZFCS-RHSMWYFYSA-N 1 0 335.404 2.717 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451491252 251581979 /nfs/dbraw/zinc/58/19/79/251581979.db2.gz BFAXPYHUBTWFRU-KNXALSJPSA-N 1 0 335.404 2.573 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451493238 251583883 /nfs/dbraw/zinc/58/38/83/251583883.db2.gz DWUOQDFQXQRXFQ-OAUYIBNBSA-N 1 0 349.431 2.881 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000451601003 251621052 /nfs/dbraw/zinc/62/10/52/251621052.db2.gz SXTYEPNNDAJYAH-CABCVRRESA-N 1 0 336.388 2.815 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453297836 252030229 /nfs/dbraw/zinc/03/02/29/252030229.db2.gz SGRIBJZMRXPKTJ-LZLYRXPVSA-N 1 0 334.416 2.557 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453302627 252030477 /nfs/dbraw/zinc/03/04/77/252030477.db2.gz DTABLAGMRQXVDV-STQMWFEESA-N 1 0 335.433 2.872 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1 ZINC000453430117 252035758 /nfs/dbraw/zinc/03/57/58/252035758.db2.gz QJPJDKBJDBWRMM-AWEZNQCLSA-N 1 0 342.399 2.848 20 5 EFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453444164 252039146 /nfs/dbraw/zinc/03/91/46/252039146.db2.gz OCDFLCUYXNWUCI-YPMHNXCESA-N 1 0 328.372 2.976 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000453452447 252040812 /nfs/dbraw/zinc/04/08/12/252040812.db2.gz SGXWNFHEOIVZDG-KBMXLJTQSA-N 1 0 331.416 2.659 20 5 EFBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000268585454 252044899 /nfs/dbraw/zinc/04/48/99/252044899.db2.gz SPOPUBGXHDOAID-SJLPKXTDSA-N 1 0 344.415 2.606 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000268737702 252187248 /nfs/dbraw/zinc/18/72/48/252187248.db2.gz CASIDSQHRNNRJW-GOEBONIOSA-N 1 0 330.384 2.994 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000454311503 252209653 /nfs/dbraw/zinc/20/96/53/252209653.db2.gz UXCQGEWQAIKHFC-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccc(O)cc1 ZINC000268821423 252270646 /nfs/dbraw/zinc/27/06/46/252270646.db2.gz SELUGKWXBANGIZ-CYBMUJFWSA-N 1 0 343.383 2.850 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268822700 252272297 /nfs/dbraw/zinc/27/22/97/252272297.db2.gz SMVHOTVDGQKELQ-AWEZNQCLSA-N 1 0 348.424 2.860 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000268837201 252286210 /nfs/dbraw/zinc/28/62/10/252286210.db2.gz UVZLWWIRCUSBOS-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268853581 252301194 /nfs/dbraw/zinc/30/11/94/252301194.db2.gz QIBKITBDHMNJSG-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420222881 285106280 /nfs/dbraw/zinc/10/62/80/285106280.db2.gz YGQVVBBCEZHSCY-HNNXBMFYSA-N 1 0 343.387 2.613 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153415220 224100971 /nfs/dbraw/zinc/10/09/71/224100971.db2.gz RFTLGKDEAIEQSO-SJKOYZFVSA-N 1 0 347.390 2.823 20 5 EFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131057726 533086362 /nfs/dbraw/zinc/08/63/62/533086362.db2.gz VFSAHLYBZYYSCW-KZULUSFZSA-N 1 0 346.383 2.996 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153699365 224143193 /nfs/dbraw/zinc/14/31/93/224143193.db2.gz JFSCYVFTFOYDNU-NVXWUHKLSA-N 1 0 343.427 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420285075 285158200 /nfs/dbraw/zinc/15/82/00/285158200.db2.gz ZEFPRBNKCVAIRZ-UONOGXRCSA-N 1 0 326.400 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([C@@H]4CCC[NH2+]4)CC3)c21 ZINC000420218618 285158653 /nfs/dbraw/zinc/15/86/53/285158653.db2.gz PLBAMXSOIQIFJT-ZDUSSCGKSA-N 1 0 327.388 2.506 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154063451 533114258 /nfs/dbraw/zinc/11/42/58/533114258.db2.gz OPCGSLVJQHMRJQ-CYBMUJFWSA-N 1 0 328.796 2.733 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420257273 285170813 /nfs/dbraw/zinc/17/08/13/285170813.db2.gz JOUJGBWZBYCJOF-NSHDSACASA-N 1 0 344.337 2.835 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153715085 224146735 /nfs/dbraw/zinc/14/67/35/224146735.db2.gz RKBMISCQMCRNEN-RHSMWYFYSA-N 1 0 329.400 2.684 20 5 EFBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000179686881 533132350 /nfs/dbraw/zinc/13/23/50/533132350.db2.gz MDSLIJUIZINCQC-SFHVURJKSA-N 1 0 343.383 2.506 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000186791690 533139742 /nfs/dbraw/zinc/13/97/42/533139742.db2.gz MGZOVDODPBJDMV-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO CN(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000268928319 255497381 /nfs/dbraw/zinc/49/73/81/255497381.db2.gz QDZFZPWJBTYTPP-CQSZACIVSA-N 1 0 345.365 3.000 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174538667 533213482 /nfs/dbraw/zinc/21/34/82/533213482.db2.gz RNHYXEOJKAOZHY-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456165423 255627429 /nfs/dbraw/zinc/62/74/29/255627429.db2.gz IPWLAFXCPMUFDE-UHFFFAOYSA-N 1 0 332.404 2.926 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459734208 255925587 /nfs/dbraw/zinc/92/55/87/255925587.db2.gz GXGXWQPCNKRXTF-DAXOMENPSA-N 1 0 347.415 2.859 20 5 EFBDRO COc1cc(CNC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000459541235 255894642 /nfs/dbraw/zinc/89/46/42/255894642.db2.gz STKQJMKSICQVQT-UHFFFAOYSA-N 1 0 347.362 2.635 20 5 EFBDRO C[C@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786122 255932563 /nfs/dbraw/zinc/93/25/63/255932563.db2.gz BDHBPUVHZJPULA-CYBMUJFWSA-N 1 0 338.404 2.883 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000117748521 221085138 /nfs/dbraw/zinc/08/51/38/221085138.db2.gz UCXDLWFRCLNAPK-UHFFFAOYSA-N 1 0 337.807 2.534 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H](C)CC[NH+](C)C ZINC000462383298 255967990 /nfs/dbraw/zinc/96/79/90/255967990.db2.gz DUOBSOMYYQBYDK-SNVBAGLBSA-N 1 0 327.356 2.663 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000468650443 256017719 /nfs/dbraw/zinc/01/77/19/256017719.db2.gz HFHHBGKEWBBMSE-QHVUTBCBSA-N 1 0 347.459 2.945 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000468631353 256017952 /nfs/dbraw/zinc/01/79/52/256017952.db2.gz LBGWQAVMHGNIHX-QMDZLVRISA-N 1 0 347.459 2.945 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154737917 224297755 /nfs/dbraw/zinc/29/77/55/224297755.db2.gz OHSCYJCUOZZCCQ-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1nn(C)c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119271312 221282162 /nfs/dbraw/zinc/28/21/62/221282162.db2.gz SEQOEVXKERBOPP-CYBMUJFWSA-N 1 0 344.419 2.669 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119363386 221303781 /nfs/dbraw/zinc/30/37/81/221303781.db2.gz FDAXCPPJYWMPGW-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000171885176 533225646 /nfs/dbraw/zinc/22/56/46/533225646.db2.gz ZIAPFWXWGMFRIN-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119661999 221369790 /nfs/dbraw/zinc/36/97/90/221369790.db2.gz HYARGTVJWLCQSJ-CQSZACIVSA-N 1 0 335.404 2.777 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000119720843 221385422 /nfs/dbraw/zinc/38/54/22/221385422.db2.gz BJYPXMYNFWMIMS-MVGZEHJDSA-N 1 0 331.416 2.702 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C(C)(C)O1 ZINC000119720156 221385541 /nfs/dbraw/zinc/38/55/41/221385541.db2.gz WKDFMEQZANSQDJ-HUUCEWRRSA-N 1 0 347.415 2.636 20 5 EFBDRO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133089074 533340501 /nfs/dbraw/zinc/34/05/01/533340501.db2.gz VYWROBQDAXYBIP-CABCVRRESA-N 1 0 333.432 2.746 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000344916296 533384783 /nfs/dbraw/zinc/38/47/83/533384783.db2.gz VPNWLMNMWNRBBC-IZNAZMGOSA-N 1 0 333.432 2.556 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000181520158 533444077 /nfs/dbraw/zinc/44/40/77/533444077.db2.gz IBHOGRJEPLPEIC-CHWSQXEVSA-N 1 0 327.384 2.976 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCN1CCOCC1 ZINC000344855910 533409545 /nfs/dbraw/zinc/40/95/45/533409545.db2.gz LDBNYKJUDBGPNX-ASNKMWSDSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132661031 533517299 /nfs/dbraw/zinc/51/72/99/533517299.db2.gz USJKBZWJNDJQDH-BXUZGUMPSA-N 1 0 335.404 2.858 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000131310136 533664220 /nfs/dbraw/zinc/66/42/20/533664220.db2.gz JUBZCYXPDBBQOE-PSASIEDQSA-N 1 0 341.209 2.789 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc2sccn21 ZINC000150892008 296496510 /nfs/dbraw/zinc/49/65/10/296496510.db2.gz GJRDDLBLAUEQBY-GFCCVEGCSA-N 1 0 335.433 2.759 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300131439 141423825 /nfs/dbraw/zinc/42/38/25/141423825.db2.gz VURFLIZLRCPJED-ZJUUUORDSA-N 1 0 341.209 2.791 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343409025 141992188 /nfs/dbraw/zinc/99/21/88/141992188.db2.gz ZSNHXVJGPMBQHY-NKHHLTQSSA-N 1 0 342.399 2.944 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000344460621 142021025 /nfs/dbraw/zinc/02/10/25/142021025.db2.gz HYVQJQVWYIIWKX-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCOC3)s2)cc1 ZINC000344478602 142024417 /nfs/dbraw/zinc/02/44/17/142024417.db2.gz IWYQUYUAVLGQQI-BBRMVZONSA-N 1 0 348.424 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCOC3)s2)cc1 ZINC000344478605 142024637 /nfs/dbraw/zinc/02/46/37/142024637.db2.gz IWYQUYUAVLGQQI-CJNGLKHVSA-N 1 0 348.424 2.810 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000344480904 142025167 /nfs/dbraw/zinc/02/51/67/142025167.db2.gz ZPBZGFSKTGCOIR-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000344604549 142047491 /nfs/dbraw/zinc/04/74/91/142047491.db2.gz AMFKSNMBVGJMSW-HNNXBMFYSA-N 1 0 329.356 2.565 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000344639544 142053523 /nfs/dbraw/zinc/05/35/23/142053523.db2.gz GSDWCKQRNZQQLW-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344678391 142059918 /nfs/dbraw/zinc/05/99/18/142059918.db2.gz XCLGITBXSJQWJR-INIZCTEOSA-N 1 0 333.432 2.682 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000344723158 142067902 /nfs/dbraw/zinc/06/79/02/142067902.db2.gz KAKKWTMBLODDQH-LBPRGKRZSA-N 1 0 334.372 2.972 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000344780948 142076879 /nfs/dbraw/zinc/07/68/79/142076879.db2.gz WDMWFWWKGUCGSM-CYBMUJFWSA-N 1 0 342.298 2.579 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOCC1(C)C ZINC000344788772 142078865 /nfs/dbraw/zinc/07/88/65/142078865.db2.gz FTQDUGLTYNTIPN-PTNGSMBKSA-N 1 0 333.432 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000344907943 142095937 /nfs/dbraw/zinc/09/59/37/142095937.db2.gz XWCICNZUVXTQQP-LLCTXKFZSA-N 1 0 332.400 2.926 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000344961814 142103602 /nfs/dbraw/zinc/10/36/02/142103602.db2.gz HKGHNYMJMOMWJP-CABCVRRESA-N 1 0 349.431 2.613 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345923048 142118834 /nfs/dbraw/zinc/11/88/34/142118834.db2.gz PZUFMXHICFLMBI-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345935216 142120161 /nfs/dbraw/zinc/12/01/61/142120161.db2.gz APRPFZXTTWVNNM-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346135962 142152494 /nfs/dbraw/zinc/15/24/94/142152494.db2.gz LHRPWAKAVMLNLV-XNRPHZJLSA-N 1 0 331.416 2.706 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346152986 142156013 /nfs/dbraw/zinc/15/60/13/142156013.db2.gz FKUFKWURNFBULZ-MKBNYLNASA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346160228 142158004 /nfs/dbraw/zinc/15/80/04/142158004.db2.gz FEOFWTABEPXWCJ-JGGQBBKZSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346221974 142170629 /nfs/dbraw/zinc/17/06/29/142170629.db2.gz LAHPAPOOLPLSSH-HBUWYVDXSA-N 1 0 345.443 2.634 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346286916 142183417 /nfs/dbraw/zinc/18/34/17/142183417.db2.gz ZROPILYNSRJDQR-DXCKQFNASA-N 1 0 331.416 2.706 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347484601 142224298 /nfs/dbraw/zinc/22/42/98/142224298.db2.gz WNXXWZVGWLFOBA-JKSUJKDBSA-N 1 0 344.415 2.969 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000347555524 142235337 /nfs/dbraw/zinc/23/53/37/142235337.db2.gz KSGFOSMCVVVHCX-LBPRGKRZSA-N 1 0 344.371 2.596 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000347704073 142259484 /nfs/dbraw/zinc/25/94/84/142259484.db2.gz NTCRCKDXPXSNFN-UHFFFAOYSA-N 1 0 344.415 2.704 20 5 EFBDRO COCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000347926455 142294421 /nfs/dbraw/zinc/29/44/21/142294421.db2.gz HMPNFYXFDXOWRI-HNNXBMFYSA-N 1 0 347.371 2.884 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347931970 142295348 /nfs/dbraw/zinc/29/53/48/142295348.db2.gz CVWJVFHOGIMRTB-CYBMUJFWSA-N 1 0 337.395 2.780 20 5 EFBDRO Cc1cccc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000349656349 142344023 /nfs/dbraw/zinc/34/40/23/142344023.db2.gz XCUFFFRCIBPETD-UHFFFAOYSA-N 1 0 327.384 2.931 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4[NH2+]CCC[C@H]4C3)cs2)c1 ZINC000353671925 142556137 /nfs/dbraw/zinc/55/61/37/142556137.db2.gz MPKABBCLYBFQPO-BBRMVZONSA-N 1 0 344.440 2.902 20 5 EFBDRO CCC1(C)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000337696407 143786977 /nfs/dbraw/zinc/78/69/77/143786977.db2.gz SUIMQWPZPMILNR-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@@](=O)c1ccccc1 ZINC000338374674 144658629 /nfs/dbraw/zinc/65/86/29/144658629.db2.gz DSOOVKNILFJKFM-HSZRJFAPSA-N 1 0 332.425 2.877 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341166984 145004913 /nfs/dbraw/zinc/00/49/13/145004913.db2.gz OEDYRMUFYHRYBM-GOEBONIOSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000341194623 145010302 /nfs/dbraw/zinc/01/03/02/145010302.db2.gz HULKDMDYXIXDRB-NXEZZACHSA-N 1 0 326.784 2.852 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341205068 145012349 /nfs/dbraw/zinc/01/23/49/145012349.db2.gz QKRJYXHMLNRHEQ-GDBMZVCRSA-N 1 0 348.447 2.998 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000342127501 145067021 /nfs/dbraw/zinc/06/70/21/145067021.db2.gz KTRQIWCHEBYCCU-UONOGXRCSA-N 1 0 333.432 2.861 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342136707 145068622 /nfs/dbraw/zinc/06/86/22/145068622.db2.gz RFUIILDXEBCTJU-SJKOYZFVSA-N 1 0 336.363 2.899 20 5 EFBDRO Cc1ccsc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342345835 145105301 /nfs/dbraw/zinc/10/53/01/145105301.db2.gz PNYNMSPQIKTLDJ-ZDUSSCGKSA-N 1 0 336.413 2.836 20 5 EFBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342350432 145106604 /nfs/dbraw/zinc/10/66/04/145106604.db2.gz YGTAXCXHLQLMBE-KGLIPLIRSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342422192 145122392 /nfs/dbraw/zinc/12/23/92/145122392.db2.gz CEQOZTAGINHTBT-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342583702 145153374 /nfs/dbraw/zinc/15/33/74/145153374.db2.gz AYDVEAPBQZKELO-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342647469 145165227 /nfs/dbraw/zinc/16/52/27/145165227.db2.gz DDCIQPZILNAZSE-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000342793300 145194471 /nfs/dbraw/zinc/19/44/71/145194471.db2.gz HYYOHWJYFASOLP-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342904537 145218739 /nfs/dbraw/zinc/21/87/39/145218739.db2.gz NKMAQYFPGOLWCA-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+](C)C ZINC000342920587 145221942 /nfs/dbraw/zinc/22/19/42/145221942.db2.gz KSSRVAJXTZCCBO-LBPRGKRZSA-N 1 0 332.404 2.782 20 5 EFBDRO O=C(NCc1cn2ccccc2n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930746 145223411 /nfs/dbraw/zinc/22/34/11/145223411.db2.gz UWIQEJYAOMKLFZ-UHFFFAOYSA-N 1 0 335.323 2.654 20 5 EFBDRO CC(C)[NH+](CCN(C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000342940223 145225832 /nfs/dbraw/zinc/22/58/32/145225832.db2.gz HDTVIIGBMGRSKW-UHFFFAOYSA-N 1 0 347.419 2.799 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000343571731 145241409 /nfs/dbraw/zinc/24/14/09/145241409.db2.gz JMUHKGRZWMEOPC-HZPDHXFCSA-N 1 0 328.368 2.782 20 5 EFBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343598875 145248564 /nfs/dbraw/zinc/24/85/64/145248564.db2.gz IHSTUYFIEBLRFR-BBRMVZONSA-N 1 0 341.415 2.677 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343607702 145250657 /nfs/dbraw/zinc/25/06/57/145250657.db2.gz VIHWNSVOJIPHRB-UHFFFAOYSA-N 1 0 337.445 2.568 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000343609693 145251011 /nfs/dbraw/zinc/25/10/11/145251011.db2.gz OIPPPCWVBVJPQP-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1cccc(N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343624167 145255096 /nfs/dbraw/zinc/25/50/96/145255096.db2.gz JHRUKMUTOYCDCV-UHFFFAOYSA-N 1 0 327.384 2.924 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343631409 145257391 /nfs/dbraw/zinc/25/73/91/145257391.db2.gz BJAUPPIGBHMSQS-CQSZACIVSA-N 1 0 331.372 2.945 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343641148 145259831 /nfs/dbraw/zinc/25/98/31/145259831.db2.gz NYRLFXIZYPFBDX-CYBMUJFWSA-N 1 0 330.388 2.680 20 5 EFBDRO CNC(=O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000343856806 145310186 /nfs/dbraw/zinc/31/01/86/145310186.db2.gz UYCQQOULKVQLOF-UHFFFAOYSA-N 1 0 347.346 2.752 20 5 EFBDRO C[C@H](NCc1ccncc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000343917706 145324057 /nfs/dbraw/zinc/32/40/57/145324057.db2.gz BDYUUOHEYQUHEL-AWEZNQCLSA-N 1 0 344.415 2.781 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000343973375 145336291 /nfs/dbraw/zinc/33/62/91/145336291.db2.gz QRSCBMNGXZMNJS-CYBMUJFWSA-N 1 0 332.404 2.766 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000344097116 145367558 /nfs/dbraw/zinc/36/75/58/145367558.db2.gz IETRKMULAPPULE-CVEARBPZSA-N 1 0 347.415 2.861 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100701 145368081 /nfs/dbraw/zinc/36/80/81/145368081.db2.gz NMRLAFZKFAWRQE-PBHICJAKSA-N 1 0 329.400 2.822 20 5 EFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261541609 545619587 /nfs/dbraw/zinc/61/95/87/545619587.db2.gz KVRCVWINEZBSQO-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO CC(C)(CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000347303566 145835189 /nfs/dbraw/zinc/83/51/89/145835189.db2.gz NMDVFGJNVYSLSQ-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000348477010 145954185 /nfs/dbraw/zinc/95/41/85/145954185.db2.gz HSVYSCNTOXMMBT-INIZCTEOSA-N 1 0 337.420 2.883 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348919962 146024257 /nfs/dbraw/zinc/02/42/57/146024257.db2.gz NUVQDKBMWWKHHC-QGZVFWFLSA-N 1 0 347.415 2.733 20 5 EFBDRO COCCN(CC[NH+](C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349295857 146075949 /nfs/dbraw/zinc/07/59/49/146075949.db2.gz KNOWTXPGFBRBMS-UHFFFAOYSA-N 1 0 347.415 2.865 20 5 EFBDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000349299211 146076815 /nfs/dbraw/zinc/07/68/15/146076815.db2.gz QBXUFUIOJSQYBM-UHFFFAOYSA-N 1 0 344.415 2.562 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000350736626 146085651 /nfs/dbraw/zinc/08/56/51/146085651.db2.gz LHBDRGPVEQQXDB-CQSZACIVSA-N 1 0 348.447 2.973 20 5 EFBDRO COc1cc(NC[C@@]2([NH+](C)C)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000351477982 146126654 /nfs/dbraw/zinc/12/66/54/146126654.db2.gz BBUSLNVEGBVCBQ-AWEZNQCLSA-N 1 0 329.397 2.592 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000351484429 146127961 /nfs/dbraw/zinc/12/79/61/146127961.db2.gz SRRKZSQMPHCHBW-GJZGRUSLSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000351484428 146128079 /nfs/dbraw/zinc/12/80/79/146128079.db2.gz SRRKZSQMPHCHBW-CABCVRRESA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351525436 146138558 /nfs/dbraw/zinc/13/85/58/146138558.db2.gz SASYLAVDQRRWBO-PZSREKOKSA-N 1 0 346.387 2.847 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351644834 146167074 /nfs/dbraw/zinc/16/70/74/146167074.db2.gz BCNNBALZLMOFJP-UKRRQHHQSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351831067 146213322 /nfs/dbraw/zinc/21/33/22/146213322.db2.gz VFYQVXBIQAAFKV-CMPLNLGQSA-N 1 0 346.412 2.528 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353021938 146376850 /nfs/dbraw/zinc/37/68/50/146376850.db2.gz LCOOTELWIPIOND-NSHDSACASA-N 1 0 346.330 2.543 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353039792 146382809 /nfs/dbraw/zinc/38/28/09/146382809.db2.gz LTMYRDKCSKGHEH-FUHWJXTLSA-N 1 0 342.395 2.652 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353039791 146382827 /nfs/dbraw/zinc/38/28/27/146382827.db2.gz LTMYRDKCSKGHEH-AEFFLSMTSA-N 1 0 342.395 2.652 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353047843 146385138 /nfs/dbraw/zinc/38/51/38/146385138.db2.gz FPYSRCUHLBBKJG-SJLPKXTDSA-N 1 0 328.368 2.782 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000355765152 147056764 /nfs/dbraw/zinc/05/67/64/147056764.db2.gz YBPPSHRZJQPICH-QWHCGFSZSA-N 1 0 336.388 2.767 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355779257 147060735 /nfs/dbraw/zinc/06/07/35/147060735.db2.gz ZHEQXECWSDHUHY-CHWSQXEVSA-N 1 0 336.388 2.625 20 5 EFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000355960798 147109623 /nfs/dbraw/zinc/10/96/23/147109623.db2.gz VHIVQJFPHTYHPZ-CYBMUJFWSA-N 1 0 332.404 2.790 20 5 EFBDRO COc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000356142440 147158130 /nfs/dbraw/zinc/15/81/30/147158130.db2.gz ATFNLYULAMOLLM-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000356295679 147204290 /nfs/dbraw/zinc/20/42/90/147204290.db2.gz UXAXNLNJYYYFHY-UGSOOPFHSA-N 1 0 349.406 2.782 20 5 EFBDRO C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000356295678 147204538 /nfs/dbraw/zinc/20/45/38/147204538.db2.gz UXAXNLNJYYYFHY-SCLBCKFNSA-N 1 0 349.406 2.782 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CC ZINC000356572756 147280197 /nfs/dbraw/zinc/28/01/97/147280197.db2.gz GIPRZGUKDZMALL-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356759010 147328743 /nfs/dbraw/zinc/32/87/43/147328743.db2.gz NDQBIAMBXNSTQH-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO COc1c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000356813313 147343670 /nfs/dbraw/zinc/34/36/70/147343670.db2.gz PVYNHMHSPVPECW-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000356921396 147373143 /nfs/dbraw/zinc/37/31/43/147373143.db2.gz POXYFPWQRZAIEP-GFCCVEGCSA-N 1 0 333.388 2.903 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000359309669 148051921 /nfs/dbraw/zinc/05/19/21/148051921.db2.gz RBUVLEUZNMJALG-CQSZACIVSA-N 1 0 348.447 2.967 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000359477502 148097078 /nfs/dbraw/zinc/09/70/78/148097078.db2.gz BGACVFUIZVXSLM-SWLSCSKDSA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000359546351 148117667 /nfs/dbraw/zinc/11/76/67/148117667.db2.gz LBIUQAXBLICXKX-INIZCTEOSA-N 1 0 346.431 2.673 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000359546352 148117946 /nfs/dbraw/zinc/11/79/46/148117946.db2.gz LBIUQAXBLICXKX-MRXNPFEDSA-N 1 0 346.431 2.673 20 5 EFBDRO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000359628198 148143759 /nfs/dbraw/zinc/14/37/59/148143759.db2.gz ZHKIGKWWAPPYPY-MCIONIFRSA-N 1 0 347.415 2.577 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000359643736 148148960 /nfs/dbraw/zinc/14/89/60/148148960.db2.gz DROUZRHFMIZKMB-QGZVFWFLSA-N 1 0 332.356 2.750 20 5 EFBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C[NH+](C)C ZINC000359825117 148198871 /nfs/dbraw/zinc/19/88/71/148198871.db2.gz BJPBVKDAIJOBAB-NSHDSACASA-N 1 0 332.404 2.782 20 5 EFBDRO Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000359839957 148204275 /nfs/dbraw/zinc/20/42/75/148204275.db2.gz LZADOVIQGAFFNY-STQMWFEESA-N 1 0 325.384 2.954 20 5 EFBDRO Cc1cc(NCc2ccncc2OCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359969711 148238482 /nfs/dbraw/zinc/23/84/82/148238482.db2.gz WJWWITJINKKAAY-UHFFFAOYSA-N 1 0 348.378 2.990 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360229260 148305362 /nfs/dbraw/zinc/30/53/62/148305362.db2.gz ZYWXFIUHLUUBHN-LSDHHAIUSA-N 1 0 349.431 2.661 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360316474 148329180 /nfs/dbraw/zinc/32/91/80/148329180.db2.gz LKKPHEDHUQBCTB-CYBMUJFWSA-N 1 0 349.431 2.730 20 5 EFBDRO CNc1c(C(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000361147867 148555201 /nfs/dbraw/zinc/55/52/01/148555201.db2.gz XLZHZOHGUDDNKG-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cccc([N+](=O)[O-])c2n1 ZINC000364031901 149051470 /nfs/dbraw/zinc/05/14/70/149051470.db2.gz CMIOYAUELJDUMG-ZIAGYGMSSA-N 1 0 342.399 2.727 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000364161105 149081503 /nfs/dbraw/zinc/08/15/03/149081503.db2.gz NEWHWJFKQBMHPZ-LBPRGKRZSA-N 1 0 346.412 2.590 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000364312278 149121813 /nfs/dbraw/zinc/12/18/13/149121813.db2.gz WUAFRWVRJCAEAR-ZIFCJYIRSA-N 1 0 346.427 2.844 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)o2)c1 ZINC000364513512 149172080 /nfs/dbraw/zinc/17/20/80/149172080.db2.gz UWILELFNLCAZMG-OAHLLOKOSA-N 1 0 339.355 2.893 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364877639 149265837 /nfs/dbraw/zinc/26/58/37/149265837.db2.gz NTHAPAPSYAQRCF-AWEZNQCLSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365074927 149311121 /nfs/dbraw/zinc/31/11/21/149311121.db2.gz XPMCPBSGCLJFLJ-CQSZACIVSA-N 1 0 332.404 2.914 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCO[C@@H]3C3CC3)o2)c1 ZINC000365206285 149343798 /nfs/dbraw/zinc/34/37/98/149343798.db2.gz XGXAMFYLFKHXNB-MAUKXSAKSA-N 1 0 343.383 2.949 20 5 EFBDRO COc1cc(C[NH2+]CC2(c3ccccn3)CCC2)c([N+](=O)[O-])cc1O ZINC000367596956 149910780 /nfs/dbraw/zinc/91/07/80/149910780.db2.gz KPQOHSRHUYFSLR-UHFFFAOYSA-N 1 0 343.383 2.916 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479172 150128449 /nfs/dbraw/zinc/12/84/49/150128449.db2.gz RHJPVOKLFFTZPC-CYBMUJFWSA-N 1 0 332.379 2.922 20 5 EFBDRO Nc1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000368605924 150161839 /nfs/dbraw/zinc/16/18/39/150161839.db2.gz UXZCEXAJGXIGLA-UHFFFAOYSA-N 1 0 334.420 2.624 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000368711541 150189151 /nfs/dbraw/zinc/18/91/51/150189151.db2.gz FUKYDNVYXJJNRP-LJQANCHMSA-N 1 0 337.379 2.733 20 5 EFBDRO COc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353587055 286177595 /nfs/dbraw/zinc/17/75/95/286177595.db2.gz AZCVIXVGIZMNSR-MRXNPFEDSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1cc(C[N@@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000191815413 286219684 /nfs/dbraw/zinc/21/96/84/286219684.db2.gz DNIHACMUPRNQJT-NSHDSACASA-N 1 0 326.418 2.939 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000372711175 151050190 /nfs/dbraw/zinc/05/01/90/151050190.db2.gz BQIRSEUGGDYFLU-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372965312 151088903 /nfs/dbraw/zinc/08/89/03/151088903.db2.gz LYEVCBCXEGMWTO-ZWNOBZJWSA-N 1 0 331.397 2.634 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000373930299 151252006 /nfs/dbraw/zinc/25/20/06/151252006.db2.gz XIGBEPGYOMOLQU-CABCVRRESA-N 1 0 344.415 2.526 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1[N+](=O)[O-] ZINC000374146008 151291007 /nfs/dbraw/zinc/29/10/07/151291007.db2.gz VKDFGGGEYBIVQE-AWEZNQCLSA-N 1 0 330.388 2.776 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000374256247 151309528 /nfs/dbraw/zinc/30/95/28/151309528.db2.gz NCLBMNPVWCGGTP-AEFFLSMTSA-N 1 0 344.415 2.725 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000374256250 151310283 /nfs/dbraw/zinc/31/02/83/151310283.db2.gz NCLBMNPVWCGGTP-WMZOPIPTSA-N 1 0 344.415 2.725 20 5 EFBDRO O=C1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]2CCCCN12 ZINC000374503525 151358282 /nfs/dbraw/zinc/35/82/82/151358282.db2.gz JFBRVVUUWURIOC-BQFCYCMXSA-N 1 0 343.427 2.659 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2 ZINC000378517830 152107394 /nfs/dbraw/zinc/10/73/94/152107394.db2.gz KCJUIXDBZAPYGS-VMPITWQZSA-N 1 0 329.400 2.695 20 5 EFBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000378641703 152134567 /nfs/dbraw/zinc/13/45/67/152134567.db2.gz DBXHPCBPHIXYPY-SUMWQHHRSA-N 1 0 330.388 2.883 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000363670296 286729450 /nfs/dbraw/zinc/72/94/50/286729450.db2.gz JDWPRIAINZGBHF-BPNCWPANSA-N 1 0 335.429 2.516 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152825980 286830722 /nfs/dbraw/zinc/83/07/22/286830722.db2.gz FZJMMWMPIPOAKT-ZDUSSCGKSA-N 1 0 344.415 2.609 20 5 EFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000122694290 222138601 /nfs/dbraw/zinc/13/86/01/222138601.db2.gz CXFRHADCKQBBGE-MRXNPFEDSA-N 1 0 343.383 2.907 20 5 EFBDRO CC[NH2+]Cc1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000123431006 222276135 /nfs/dbraw/zinc/27/61/35/222276135.db2.gz GEIPUTPWEPOYOJ-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2cccc(C[NH2+]CC)c2)c1[N+](=O)[O-] ZINC000123869434 222344817 /nfs/dbraw/zinc/34/48/17/222344817.db2.gz KFAVKSSLSZSNQB-UHFFFAOYSA-N 1 0 331.376 2.632 20 5 EFBDRO Cc1nn(C)c2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc12 ZINC000171765113 227271589 /nfs/dbraw/zinc/27/15/89/227271589.db2.gz SFBSJEVSSSCERF-UHFFFAOYSA-N 1 0 325.372 2.517 20 5 EFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054646036 292651207 /nfs/dbraw/zinc/65/12/07/292651207.db2.gz ZJFINWUAVXHNSS-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000045830882 272975798 /nfs/dbraw/zinc/97/57/98/272975798.db2.gz IXXIAIIXFHOQJR-INIZCTEOSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085290089 264632608 /nfs/dbraw/zinc/63/26/08/264632608.db2.gz UOGFLRKPIHSDAN-CRALRDPISA-N 1 0 337.395 2.840 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000087338689 264645038 /nfs/dbraw/zinc/64/50/38/264645038.db2.gz UFXXHJZFCOQFGF-KRWDZBQOSA-N 1 0 345.443 2.908 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000184830830 265029300 /nfs/dbraw/zinc/02/93/00/265029300.db2.gz FKSHXUUARDOGSP-IRXDYDNUSA-N 1 0 347.459 2.964 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000186354787 265063323 /nfs/dbraw/zinc/06/33/23/265063323.db2.gz WHRNSCYBNOUHCP-JTQLQIEISA-N 1 0 327.406 2.613 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186399059 265065502 /nfs/dbraw/zinc/06/55/02/265065502.db2.gz QAJZPVAWNSASRB-ZDUSSCGKSA-N 1 0 335.404 2.594 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000187329759 265094372 /nfs/dbraw/zinc/09/43/72/265094372.db2.gz SYXPIBAIIUHXST-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191577385 265270009 /nfs/dbraw/zinc/27/00/09/265270009.db2.gz FCGNJRLNGBKELS-GOSISDBHSA-N 1 0 328.368 2.815 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194697953 265381662 /nfs/dbraw/zinc/38/16/62/265381662.db2.gz RYZLHTGITWNGEX-VMPITWQZSA-N 1 0 329.400 2.599 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000238088985 265470792 /nfs/dbraw/zinc/47/07/92/265470792.db2.gz CWUPYLWFZIOGMV-CQSZACIVSA-N 1 0 325.796 2.886 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000054773328 272988430 /nfs/dbraw/zinc/98/84/30/272988430.db2.gz OIMYLTBTEHJWNB-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2nc(C)no2)cc1[N+](=O)[O-] ZINC000271419940 265971694 /nfs/dbraw/zinc/97/16/94/265971694.db2.gz BOCBHIQDKVWWTP-NSHDSACASA-N 1 0 334.376 2.968 20 5 EFBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000271474825 265987121 /nfs/dbraw/zinc/98/71/21/265987121.db2.gz ITPPIWNPEWXCRG-GXTWGEPZSA-N 1 0 332.322 2.819 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000271536610 266002803 /nfs/dbraw/zinc/00/28/03/266002803.db2.gz SRFVMRWAAOXEJT-HZPDHXFCSA-N 1 0 331.416 2.515 20 5 EFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580074 266011134 /nfs/dbraw/zinc/01/11/34/266011134.db2.gz RSZIEMJHLVWUSS-WDEREUQCSA-N 1 0 335.360 2.525 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)CCCO)c([N+](=O)[O-])cc1OC ZINC000271593585 266016131 /nfs/dbraw/zinc/01/61/31/266016131.db2.gz XLABTADCHWZDRE-UHFFFAOYSA-N 1 0 326.393 2.500 20 5 EFBDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000271710120 266046673 /nfs/dbraw/zinc/04/66/73/266046673.db2.gz JJILHGAECLMGBB-WBVHZDCISA-N 1 0 346.431 2.838 20 5 EFBDRO COC1(C)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000271761519 266055278 /nfs/dbraw/zinc/05/52/78/266055278.db2.gz PAVSJCFXBOAWPW-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271769295 266056689 /nfs/dbraw/zinc/05/66/89/266056689.db2.gz GATILJJJTOVLCG-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)NC ZINC000271794672 266063159 /nfs/dbraw/zinc/06/31/59/266063159.db2.gz JUUZPUPBAJWWCA-GFCCVEGCSA-N 1 0 339.461 2.827 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000271900906 266090238 /nfs/dbraw/zinc/09/02/38/266090238.db2.gz PYSZWYDOBVIZMG-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000271993101 266117787 /nfs/dbraw/zinc/11/77/87/266117787.db2.gz GRQBZMGOEPCXNZ-OALUTQOASA-N 1 0 341.411 2.617 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272413096 266257470 /nfs/dbraw/zinc/25/74/70/266257470.db2.gz LDVACMUYANMAAF-UKRRQHHQSA-N 1 0 332.404 2.770 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272461848 266272579 /nfs/dbraw/zinc/27/25/79/266272579.db2.gz DMTPHOYUZUDUBY-UHFFFAOYSA-N 1 0 341.358 2.676 20 5 EFBDRO CCC[N@H+](CC)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272506341 266288200 /nfs/dbraw/zinc/28/82/00/266288200.db2.gz IFBVTPBYHYKVOR-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547087 266303731 /nfs/dbraw/zinc/30/37/31/266303731.db2.gz QLMOLQYCJLDMTB-YOEHRIQHSA-N 1 0 345.447 2.738 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+]CC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272574925 266313301 /nfs/dbraw/zinc/31/33/01/266313301.db2.gz WWPNUEGCZWJXJN-MRXNPFEDSA-N 1 0 344.415 2.824 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272591086 266317405 /nfs/dbraw/zinc/31/74/05/266317405.db2.gz SYHGZKYDRPRLSA-LBPRGKRZSA-N 1 0 341.358 2.535 20 5 EFBDRO COc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000272784535 266380816 /nfs/dbraw/zinc/38/08/16/266380816.db2.gz FNTDUIFRURHSLJ-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272784499 266380852 /nfs/dbraw/zinc/38/08/52/266380852.db2.gz FNRATBYCFSQRFZ-ZIAGYGMSSA-N 1 0 348.403 2.694 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272784490 266380904 /nfs/dbraw/zinc/38/09/04/266380904.db2.gz FNRATBYCFSQRFZ-UONOGXRCSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926445 273000467 /nfs/dbraw/zinc/00/04/67/273000467.db2.gz UMZVEEFAKMEOLK-HNNXBMFYSA-N 1 0 333.388 2.806 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273810046 266556541 /nfs/dbraw/zinc/55/65/41/266556541.db2.gz ARTZATRFUYZQSS-LBPRGKRZSA-N 1 0 339.411 2.858 20 5 EFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020479 266600240 /nfs/dbraw/zinc/60/02/40/266600240.db2.gz MUGUAZSZBXJQTD-NEPJUHHUSA-N 1 0 347.371 2.927 20 5 EFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000274681734 266690662 /nfs/dbraw/zinc/69/06/62/266690662.db2.gz OAMKQTYDAAENCB-CHWSQXEVSA-N 1 0 342.852 2.659 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000108433673 273009744 /nfs/dbraw/zinc/00/97/44/273009744.db2.gz LPZHGMLYZYVWJU-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747773 266868736 /nfs/dbraw/zinc/86/87/36/266868736.db2.gz RJWPCTWPHRVSOO-KCQAQPDRSA-N 1 0 329.404 2.785 20 5 EFBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000275789842 266876305 /nfs/dbraw/zinc/87/63/05/266876305.db2.gz CCXIKYPSXZTIPW-UHFFFAOYSA-N 1 0 329.404 2.693 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000276134362 266929953 /nfs/dbraw/zinc/92/99/53/266929953.db2.gz DGMSCZRKLPUIHY-UHFFFAOYSA-N 1 0 345.374 2.768 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276212186 266943920 /nfs/dbraw/zinc/94/39/20/266943920.db2.gz HRNTXYFJWXNERB-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000276423764 266985724 /nfs/dbraw/zinc/98/57/24/266985724.db2.gz QTGZHTNEYKJROY-UHFFFAOYSA-N 1 0 345.374 2.768 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)CC ZINC000276578809 267017336 /nfs/dbraw/zinc/01/73/36/267017336.db2.gz HVRDOHMLBKRGPR-QWHCGFSZSA-N 1 0 339.461 2.922 20 5 EFBDRO Cc1cc(N2CC[C@H](N3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276715722 267039879 /nfs/dbraw/zinc/03/98/79/267039879.db2.gz JVUJXRULFLUKCE-AWEZNQCLSA-N 1 0 340.383 2.653 20 5 EFBDRO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000276758975 267044610 /nfs/dbraw/zinc/04/46/10/267044610.db2.gz UNWQNOIACURJCH-CYBMUJFWSA-N 1 0 339.395 2.774 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276948774 267083218 /nfs/dbraw/zinc/08/32/18/267083218.db2.gz TYDHMNSVDJPCPU-CQSZACIVSA-N 1 0 345.403 2.800 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000277004217 267096966 /nfs/dbraw/zinc/09/69/66/267096966.db2.gz KHXOXKJMLQPKMN-CJNGLKHVSA-N 1 0 347.415 2.692 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C[NH+]1CCCC1 ZINC000277108415 267114942 /nfs/dbraw/zinc/11/49/42/267114942.db2.gz MSOHXBVCEPMWBM-ZDUSSCGKSA-N 1 0 348.403 2.695 20 5 EFBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000277221395 267131291 /nfs/dbraw/zinc/13/12/91/267131291.db2.gz IBPNNXBUXFZIHU-HNNXBMFYSA-N 1 0 347.415 2.612 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277228217 267133219 /nfs/dbraw/zinc/13/32/19/267133219.db2.gz SNCWMHYMYKENNE-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000277380001 267167377 /nfs/dbraw/zinc/16/73/77/267167377.db2.gz XQIGWDOCTGYAAG-AWEZNQCLSA-N 1 0 333.432 2.812 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277458345 267183453 /nfs/dbraw/zinc/18/34/53/267183453.db2.gz KISAAYIXGBIWCQ-AWEZNQCLSA-N 1 0 337.420 2.654 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000277484071 267185542 /nfs/dbraw/zinc/18/55/42/267185542.db2.gz MOXFZYKPYKPLCE-CYBMUJFWSA-N 1 0 336.367 2.872 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000277671764 267229199 /nfs/dbraw/zinc/22/91/99/267229199.db2.gz AFNLUOQVRCHSTQ-CYBMUJFWSA-N 1 0 339.823 2.715 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC000277767958 267258492 /nfs/dbraw/zinc/25/84/92/267258492.db2.gz XTJSAHKNIUVGRK-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000277808190 267269324 /nfs/dbraw/zinc/26/93/24/267269324.db2.gz PWVDRUHEWDCIHF-KRWDZBQOSA-N 1 0 336.388 2.588 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000277866213 267284645 /nfs/dbraw/zinc/28/46/45/267284645.db2.gz ULHAQVVMEDHYAY-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO CCOC(=O)C1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278142835 267352007 /nfs/dbraw/zinc/35/20/07/267352007.db2.gz AFWCKPLTUCWHDN-UHFFFAOYSA-N 1 0 346.387 2.683 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000278294563 267392666 /nfs/dbraw/zinc/39/26/66/267392666.db2.gz VHLPHNVUBAIYPD-UHFFFAOYSA-N 1 0 335.360 2.896 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176238476 273032299 /nfs/dbraw/zinc/03/22/99/273032299.db2.gz KOTUKWPEAIFEMF-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000177609066 273038040 /nfs/dbraw/zinc/03/80/40/273038040.db2.gz KSLIJWMQHNCJTL-OLZOCXBDSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000194803086 273070489 /nfs/dbraw/zinc/07/04/89/273070489.db2.gz HQDYVAVUHJSTHA-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO COCCC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269643269 273087179 /nfs/dbraw/zinc/08/71/79/273087179.db2.gz OJXVLASWZJIVLQ-UHFFFAOYSA-N 1 0 329.347 2.786 20 5 EFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000269666450 273087749 /nfs/dbraw/zinc/08/77/49/273087749.db2.gz SIMSJDPOELJBIC-RTBURBONSA-N 1 0 342.395 2.874 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)CCCOC)cc1[N+](=O)[O-] ZINC000271128506 273100170 /nfs/dbraw/zinc/10/01/70/273100170.db2.gz LFODWQYQZADPGF-AWEZNQCLSA-N 1 0 339.436 2.612 20 5 EFBDRO Cc1nn2c(nc(C)c2C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000271236640 273102720 /nfs/dbraw/zinc/10/27/20/273102720.db2.gz SHRMUJPZQCFVRO-UHFFFAOYSA-N 1 0 331.401 2.648 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000271565195 273105333 /nfs/dbraw/zinc/10/53/33/273105333.db2.gz APAIDXOBNRDHGO-VQIMIIECSA-N 1 0 341.411 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000271565192 273105346 /nfs/dbraw/zinc/10/53/46/273105346.db2.gz APAIDXOBNRDHGO-QFBILLFUSA-N 1 0 341.411 2.890 20 5 EFBDRO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000279317623 273202116 /nfs/dbraw/zinc/20/21/16/273202116.db2.gz OIIMCIMSBRWBOK-GFCCVEGCSA-N 1 0 333.310 2.570 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000274269656 273128827 /nfs/dbraw/zinc/12/88/27/273128827.db2.gz MFWNGUULHUMXSO-CYBMUJFWSA-N 1 0 332.404 2.984 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000277148412 273148504 /nfs/dbraw/zinc/14/85/04/273148504.db2.gz ILFOCULDCPBIEQ-HNNXBMFYSA-N 1 0 346.431 2.725 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277133239 273147344 /nfs/dbraw/zinc/14/73/44/273147344.db2.gz GQISGMOOUATLRZ-OAHLLOKOSA-N 1 0 333.432 2.815 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000277367510 273153002 /nfs/dbraw/zinc/15/30/02/273153002.db2.gz VIQNMPWTFURECN-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000277416008 273154112 /nfs/dbraw/zinc/15/41/12/273154112.db2.gz IEZKVXNMBBCOSO-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003418 273165345 /nfs/dbraw/zinc/16/53/45/273165345.db2.gz GCEAYIZWNOAAGW-IAQYHMDHSA-N 1 0 340.445 2.730 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048083 273170306 /nfs/dbraw/zinc/17/03/06/273170306.db2.gz JYEGNVSKIRSVBR-GOSISDBHSA-N 1 0 347.459 2.754 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279058424 273171712 /nfs/dbraw/zinc/17/17/12/273171712.db2.gz KPLYRTZNXIFBST-WBMJQRKESA-N 1 0 331.416 2.918 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212919 273189174 /nfs/dbraw/zinc/18/91/74/273189174.db2.gz YJVIOEBPJRVYAJ-SJORKVTESA-N 1 0 334.416 2.694 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000279351880 273205696 /nfs/dbraw/zinc/20/56/96/273205696.db2.gz QLAMORQKCNMWOU-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000279372599 273208010 /nfs/dbraw/zinc/20/80/10/273208010.db2.gz UFDORZZOYCEXML-UHFFFAOYSA-N 1 0 343.786 2.532 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000279573622 273229836 /nfs/dbraw/zinc/22/98/36/273229836.db2.gz TWRXSCNPTOUJRQ-ZDUSSCGKSA-N 1 0 329.400 2.713 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279745588 273248794 /nfs/dbraw/zinc/24/87/94/273248794.db2.gz KXTDXXWWRKIKHT-KGLIPLIRSA-N 1 0 338.404 2.608 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816866 273256704 /nfs/dbraw/zinc/25/67/04/273256704.db2.gz QHFCOXYRCGWXHD-WFASDCNBSA-N 1 0 336.388 2.587 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000280062629 273286395 /nfs/dbraw/zinc/28/63/95/273286395.db2.gz HCZNFYBIDFEUDH-UHFFFAOYSA-N 1 0 343.786 2.532 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000280195822 273301155 /nfs/dbraw/zinc/30/11/55/273301155.db2.gz ZEFXAPJHZNWAQB-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280319304 273315200 /nfs/dbraw/zinc/31/52/00/273315200.db2.gz YHYFCURPLYEISI-UHFFFAOYSA-N 1 0 345.802 2.776 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340491 273317485 /nfs/dbraw/zinc/31/74/85/273317485.db2.gz IGMMAEULZIJLST-GUYCJALGSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@H](CO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000280510836 273335593 /nfs/dbraw/zinc/33/55/93/273335593.db2.gz NNXVMVFWRMZMDG-GFCCVEGCSA-N 1 0 346.387 2.628 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000280604868 273346061 /nfs/dbraw/zinc/34/60/61/273346061.db2.gz OITDCCKTFNAGJW-GMXVVIOVSA-N 1 0 346.387 2.539 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000280657639 273351998 /nfs/dbraw/zinc/35/19/98/273351998.db2.gz GHRCFRHLCQWMKD-QGZVFWFLSA-N 1 0 347.419 2.500 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000280706503 273357867 /nfs/dbraw/zinc/35/78/67/273357867.db2.gz SZWTYRBNBVTOJL-HSZRJFAPSA-N 1 0 348.371 2.587 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000280769875 273364805 /nfs/dbraw/zinc/36/48/05/273364805.db2.gz FBCCCJJDSHGGRT-SLEUVZQESA-N 1 0 336.388 2.671 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000280769883 273364897 /nfs/dbraw/zinc/36/48/97/273364897.db2.gz FBCCCJJDSHGGRT-XUJVJEKNSA-N 1 0 336.388 2.671 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280788029 273366794 /nfs/dbraw/zinc/36/67/94/273366794.db2.gz HIRKBXHRJZGAEA-HPBDAGMYSA-N 1 0 348.443 2.541 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000280865501 273375295 /nfs/dbraw/zinc/37/52/95/273375295.db2.gz CMSQZESNNJDPDP-MAUKXSAKSA-N 1 0 345.443 2.764 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280996622 273389648 /nfs/dbraw/zinc/38/96/48/273389648.db2.gz NILPMYAIFCLBPT-KBXCAEBGSA-N 1 0 331.416 2.820 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000281163438 273406818 /nfs/dbraw/zinc/40/68/18/273406818.db2.gz BNZZYCQERMVVDD-UHFFFAOYSA-N 1 0 343.225 2.674 20 5 EFBDRO CCC(=O)c1ccc(N[C@@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000281335506 273424825 /nfs/dbraw/zinc/42/48/25/273424825.db2.gz AZQLMOJUWWZAIK-AWEZNQCLSA-N 1 0 348.447 2.625 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000281578560 273448915 /nfs/dbraw/zinc/44/89/15/273448915.db2.gz MUEPAUYDGZZATG-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO C[C@](O)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281982146 273497336 /nfs/dbraw/zinc/49/73/36/273497336.db2.gz VDLOQRSQMRBVJE-AWEZNQCLSA-N 1 0 348.321 2.751 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CC1 ZINC000282468020 273566995 /nfs/dbraw/zinc/56/69/95/273566995.db2.gz WCXPXELRXGCTBO-IPQOISQHSA-N 1 0 342.486 2.966 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282983147 273649937 /nfs/dbraw/zinc/64/99/37/273649937.db2.gz FSPVJZJVPCNLSC-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000283106609 273669827 /nfs/dbraw/zinc/66/98/27/273669827.db2.gz MEJMYPKOWPWBAR-HOTGVXAUSA-N 1 0 339.436 2.746 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000283551508 273729428 /nfs/dbraw/zinc/72/94/28/273729428.db2.gz TZLPQEHOPHBSBO-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOCC3)CC2)c2c(c1)COCO2 ZINC000283926278 273775745 /nfs/dbraw/zinc/77/57/45/273775745.db2.gz ARGLWYJGMJIIHT-UHFFFAOYSA-N 1 0 348.399 2.854 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000439659101 273816931 /nfs/dbraw/zinc/81/69/31/273816931.db2.gz RNPKTXOLUBNHRM-GJZGRUSLSA-N 1 0 326.400 2.973 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000362676546 273816948 /nfs/dbraw/zinc/81/69/48/273816948.db2.gz VAHSGNKCZWRHPX-QWRGUYRKSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1F ZINC000284559557 273854801 /nfs/dbraw/zinc/85/48/01/273854801.db2.gz DYCUYVZSKVDAQI-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284840185 273895671 /nfs/dbraw/zinc/89/56/71/273895671.db2.gz SMPHUFIPVQAXTI-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285142080 273949170 /nfs/dbraw/zinc/94/91/70/273949170.db2.gz OSNVQJFRAFZTJX-ZBFHGGJFSA-N 1 0 346.431 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(O)CCOCC3)o2)cc1 ZINC000285420443 273996102 /nfs/dbraw/zinc/99/61/02/273996102.db2.gz GRSDXCYUYFWRQA-UHFFFAOYSA-N 1 0 346.383 2.876 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000285488837 274009974 /nfs/dbraw/zinc/00/99/74/274009974.db2.gz MELRAZRXHBQKJK-SOFGYWHQSA-N 1 0 338.429 2.555 20 5 EFBDRO CCC[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285489571 274010280 /nfs/dbraw/zinc/01/02/80/274010280.db2.gz IPWKRBFLFYLCLH-KRWDZBQOSA-N 1 0 335.404 2.781 20 5 EFBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285491485 274010550 /nfs/dbraw/zinc/01/05/50/274010550.db2.gz IPWKRBFLFYLCLH-QGZVFWFLSA-N 1 0 335.404 2.781 20 5 EFBDRO Cc1noc([C@H]2CCCCN2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604475 274035914 /nfs/dbraw/zinc/03/59/14/274035914.db2.gz JYVWFFVAXBINJF-OAHLLOKOSA-N 1 0 332.360 2.892 20 5 EFBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000285629644 274041343 /nfs/dbraw/zinc/04/13/43/274041343.db2.gz XCCAGXBZGFGCGY-ZFWWWQNUSA-N 1 0 344.415 2.758 20 5 EFBDRO Cc1noc([C@@H]2CCCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649308 274045071 /nfs/dbraw/zinc/04/50/71/274045071.db2.gz MEXBBTXOJOYHBM-GJZGRUSLSA-N 1 0 332.360 2.547 20 5 EFBDRO COC[C@]1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411867 274052906 /nfs/dbraw/zinc/05/29/06/274052906.db2.gz GMMLXVPEJDFSMF-FUHWJXTLSA-N 1 0 333.432 2.675 20 5 EFBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000285708417 274057795 /nfs/dbraw/zinc/05/77/95/274057795.db2.gz CVPMRJRGDCRYLF-GOSISDBHSA-N 1 0 339.395 2.594 20 5 EFBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000285792301 274076098 /nfs/dbraw/zinc/07/60/98/274076098.db2.gz MISZPRPAYYJAGS-IUODEOHRSA-N 1 0 347.415 2.611 20 5 EFBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000285792304 274076117 /nfs/dbraw/zinc/07/61/17/274076117.db2.gz MISZPRPAYYJAGS-SWLSCSKDSA-N 1 0 347.415 2.611 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000237225641 274094469 /nfs/dbraw/zinc/09/44/69/274094469.db2.gz DXZWUYLWNYPRRC-CQSZACIVSA-N 1 0 349.387 2.598 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000285898335 274096580 /nfs/dbraw/zinc/09/65/80/274096580.db2.gz RVLWDAFTBPOSOL-GIYGXLGSSA-N 1 0 329.400 2.693 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286020097 274118593 /nfs/dbraw/zinc/11/85/93/274118593.db2.gz FTBPPHNPERXBPU-UHFFFAOYSA-N 1 0 345.403 2.553 20 5 EFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000286057584 274125076 /nfs/dbraw/zinc/12/50/76/274125076.db2.gz LFXAUVKFJJXELK-LBPRGKRZSA-N 1 0 341.367 2.819 20 5 EFBDRO CC(C)C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000286099936 274133454 /nfs/dbraw/zinc/13/34/54/274133454.db2.gz LCGJWQIPGGYICR-GFCCVEGCSA-N 1 0 333.392 2.632 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000286143600 274141992 /nfs/dbraw/zinc/14/19/92/274141992.db2.gz PONBVMLDDSVNKA-HNNXBMFYSA-N 1 0 334.420 2.517 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000286144397 274142270 /nfs/dbraw/zinc/14/22/70/274142270.db2.gz VQVHGFRAXOSANQ-VYDXJSESSA-N 1 0 333.432 2.759 20 5 EFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000286183760 274149219 /nfs/dbraw/zinc/14/92/19/274149219.db2.gz AMGHZWSQWWQTBX-IRXDYDNUSA-N 1 0 333.432 2.588 20 5 EFBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286254951 274162997 /nfs/dbraw/zinc/16/29/97/274162997.db2.gz PJLIUJZZPWVFFV-FOSCPWQOSA-N 1 0 337.807 2.945 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286325439 274178668 /nfs/dbraw/zinc/17/86/68/274178668.db2.gz WWJAANXRPUQNOM-GOEBONIOSA-N 1 0 349.456 2.748 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286333971 274180361 /nfs/dbraw/zinc/18/03/61/274180361.db2.gz LQXJXZVTRRWWLF-JSGCOSHPSA-N 1 0 344.415 2.543 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000286334891 274180535 /nfs/dbraw/zinc/18/05/35/274180535.db2.gz VNHYGSNVTWFNAX-JQWIXIFHSA-N 1 0 333.417 2.520 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1[NH+](C)C ZINC000413211923 274186607 /nfs/dbraw/zinc/18/66/07/274186607.db2.gz QLZHUTPCUXSSCQ-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286378028 274188666 /nfs/dbraw/zinc/18/86/66/274188666.db2.gz MRTMZFRABNVSIC-UHFFFAOYSA-N 1 0 345.403 2.918 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286403373 274193970 /nfs/dbraw/zinc/19/39/70/274193970.db2.gz ZTKKNCDJNGTDII-PWSUYJOCSA-N 1 0 333.417 2.520 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000449067260 274231185 /nfs/dbraw/zinc/23/11/85/274231185.db2.gz JVHQXJVKMSNPGA-STQMWFEESA-N 1 0 325.372 2.919 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000286615665 274236136 /nfs/dbraw/zinc/23/61/36/274236136.db2.gz VQRBJHRANABPSO-LBPRGKRZSA-N 1 0 347.444 2.768 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000286702746 274255115 /nfs/dbraw/zinc/25/51/15/274255115.db2.gz AFDPASFULCMMHI-GJZGRUSLSA-N 1 0 331.416 2.909 20 5 EFBDRO COc1ccc(OCCN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286715220 274257967 /nfs/dbraw/zinc/25/79/67/274257967.db2.gz CBZOUJCPZMXXAC-GOEBONIOSA-N 1 0 349.431 2.541 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286765835 274269052 /nfs/dbraw/zinc/26/90/52/274269052.db2.gz ZMMKZDGVOFMKQV-OCCSQVGLSA-N 1 0 332.322 2.630 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000286846291 274285617 /nfs/dbraw/zinc/28/56/17/274285617.db2.gz XPNGQYRXLJKFKM-HZPDHXFCSA-N 1 0 348.447 2.652 20 5 EFBDRO CCCN(CC[NH+](CC)CC)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286878924 274292031 /nfs/dbraw/zinc/29/20/31/274292031.db2.gz OAHJKMNKQBCLCD-UHFFFAOYSA-N 1 0 347.419 2.802 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286938086 274305093 /nfs/dbraw/zinc/30/50/93/274305093.db2.gz LWDLXQUKHPXPMZ-SWLSCSKDSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286985200 274315318 /nfs/dbraw/zinc/31/53/18/274315318.db2.gz DMUZUKAUJUQPAI-DZGCQCFKSA-N 1 0 332.404 2.994 20 5 EFBDRO COc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287018810 274323207 /nfs/dbraw/zinc/32/32/07/274323207.db2.gz GGIRQHJUFACKBU-TZMCWYRMSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000287031974 274326143 /nfs/dbraw/zinc/32/61/43/274326143.db2.gz IIQMWXUBNNHWKT-IVFUDNFBSA-N 1 0 329.400 2.693 20 5 EFBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000287086732 274338621 /nfs/dbraw/zinc/33/86/21/274338621.db2.gz KSGMKTASSUAAIZ-UKRRQHHQSA-N 1 0 347.415 2.611 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000287149203 274354318 /nfs/dbraw/zinc/35/43/18/274354318.db2.gz SQXUQCYHTNJIPH-BBRMVZONSA-N 1 0 340.445 2.850 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287244597 274376775 /nfs/dbraw/zinc/37/67/75/274376775.db2.gz RFGQAMFZOKDMPZ-BBRMVZONSA-N 1 0 349.456 2.772 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287253062 274378538 /nfs/dbraw/zinc/37/85/38/274378538.db2.gz HKAXTMKFCMABOD-CQSZACIVSA-N 1 0 336.436 2.509 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287296060 274387894 /nfs/dbraw/zinc/38/78/94/274387894.db2.gz UCJDSGULMVOXIL-DOMZBBRYSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287421540 274416987 /nfs/dbraw/zinc/41/69/87/274416987.db2.gz KBYITMICJMBIEB-UKPHBRMFSA-N 1 0 344.415 2.680 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000287661652 274466937 /nfs/dbraw/zinc/46/69/37/274466937.db2.gz IMQPZMCKYXRACW-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC(=O)c1cc(NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000287726145 274477865 /nfs/dbraw/zinc/47/78/65/274477865.db2.gz GBYDTVLLEQYUBO-UHFFFAOYSA-N 1 0 347.415 2.854 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000449092919 274498710 /nfs/dbraw/zinc/49/87/10/274498710.db2.gz VWSHPBHIWABAGV-GDBMZVCRSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000449215086 274498715 /nfs/dbraw/zinc/49/87/15/274498715.db2.gz XSRQGJJKQRCHLG-DYVFJYSZSA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185579548 274511232 /nfs/dbraw/zinc/51/12/32/274511232.db2.gz CLUPDLBBHZTMRN-JSGCOSHPSA-N 1 0 341.367 2.688 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288041193 274519405 /nfs/dbraw/zinc/51/94/05/274519405.db2.gz OKRVCLUWDRSXSF-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000288108735 274528814 /nfs/dbraw/zinc/52/88/14/274528814.db2.gz IOZMGSHBKZIRHR-XHDPSFHLSA-N 1 0 337.807 2.947 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+](C(C)C)C(C)C)n1 ZINC000288415171 274588631 /nfs/dbraw/zinc/58/86/31/274588631.db2.gz NNUQDIKWQPQYBY-UHFFFAOYSA-N 1 0 338.408 2.697 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288564635 274619296 /nfs/dbraw/zinc/61/92/96/274619296.db2.gz WKTIYMYXCIBRBI-NEPJUHHUSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289262757 274731741 /nfs/dbraw/zinc/73/17/41/274731741.db2.gz OMVWQILULXDHRH-GUYCJALGSA-N 1 0 349.456 2.678 20 5 EFBDRO Cc1nnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000289791498 274822783 /nfs/dbraw/zinc/82/27/83/274822783.db2.gz NGNOZLXPUYFJTA-CQSZACIVSA-N 1 0 332.429 2.908 20 5 EFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000375717197 274893184 /nfs/dbraw/zinc/89/31/84/274893184.db2.gz DEVRJAZTOLMQAR-KBXCAEBGSA-N 1 0 341.415 2.574 20 5 EFBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000096004872 274981279 /nfs/dbraw/zinc/98/12/79/274981279.db2.gz BCJFZSZLBWTEFO-AWEZNQCLSA-N 1 0 345.359 2.541 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2N1 ZINC000263763277 275018728 /nfs/dbraw/zinc/01/87/28/275018728.db2.gz VFHYUFXVXFSKNF-IUODEOHRSA-N 1 0 330.388 2.518 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000348181791 275029051 /nfs/dbraw/zinc/02/90/51/275029051.db2.gz PHADFWYBESUHQR-MRXNPFEDSA-N 1 0 329.400 2.966 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCCO)CC1 ZINC000072242415 275033065 /nfs/dbraw/zinc/03/30/65/275033065.db2.gz ZBYJYGZFUBCBCX-UHFFFAOYSA-N 1 0 347.337 2.508 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc2n1CCCC2)C1CC1 ZINC000183865294 275040002 /nfs/dbraw/zinc/04/00/02/275040002.db2.gz NNQIWYQCRSAPGN-HNNXBMFYSA-N 1 0 341.415 2.634 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cnn3ccccc23)n1 ZINC000353864437 275040718 /nfs/dbraw/zinc/04/07/18/275040718.db2.gz IZMZKMVHDGKHIK-ZBFHGGJFSA-N 1 0 340.387 2.713 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236633479 275717289 /nfs/dbraw/zinc/71/72/89/275717289.db2.gz USBJQYJWQMVBIR-HNNXBMFYSA-N 1 0 343.811 2.507 20 5 EFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000193012670 275816948 /nfs/dbraw/zinc/81/69/48/275816948.db2.gz PPKPTWKIXUBFIW-XJKSGUPXSA-N 1 0 331.416 2.961 20 5 EFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000420263844 275850292 /nfs/dbraw/zinc/85/02/92/275850292.db2.gz AHVVOVAWGOMRCB-UHFFFAOYSA-N 1 0 330.363 2.984 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449703739 275852746 /nfs/dbraw/zinc/85/27/46/275852746.db2.gz WZTGFFFATYLBSH-AWEZNQCLSA-N 1 0 333.413 2.927 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCC2(O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000353822886 275867395 /nfs/dbraw/zinc/86/73/95/275867395.db2.gz UZTVIPMEBNJFDY-INIZCTEOSA-N 1 0 334.416 2.838 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358102189 276102363 /nfs/dbraw/zinc/10/23/63/276102363.db2.gz ZVKXDMMSGZKUCK-GFCCVEGCSA-N 1 0 339.411 2.858 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358102190 276107285 /nfs/dbraw/zinc/10/72/85/276107285.db2.gz ZVKXDMMSGZKUCK-LBPRGKRZSA-N 1 0 339.411 2.858 20 5 EFBDRO CC[N@H+](CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000236875746 276130707 /nfs/dbraw/zinc/13/07/07/276130707.db2.gz HWFOXOJNDFXFAO-UHFFFAOYSA-N 1 0 345.447 2.815 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343280803 276329846 /nfs/dbraw/zinc/32/98/46/276329846.db2.gz NBXNKJVNBDILEI-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339089987 276360519 /nfs/dbraw/zinc/36/05/19/276360519.db2.gz FHKYAANKFBKKJN-KBPBESRZSA-N 1 0 348.321 2.897 20 5 EFBDRO CCn1ncnc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000355578748 276727416 /nfs/dbraw/zinc/72/74/16/276727416.db2.gz FVQWBMFSDUJFPI-DZGCQCFKSA-N 1 0 329.404 2.707 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccco1 ZINC000170639250 276827824 /nfs/dbraw/zinc/82/78/24/276827824.db2.gz RDNJNFWLOVUZCW-HNNXBMFYSA-N 1 0 344.371 2.787 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000361458008 276863846 /nfs/dbraw/zinc/86/38/46/276863846.db2.gz WKXYUUCIUMBXRR-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281433 277008452 /nfs/dbraw/zinc/00/84/52/277008452.db2.gz JECWGOYSLXSMST-UHOFOFEASA-N 1 0 331.416 2.822 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000237199434 277026424 /nfs/dbraw/zinc/02/64/24/277026424.db2.gz GDLAIBHVIJBYMO-ZDUSSCGKSA-N 1 0 333.432 2.964 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC[C@@H]21 ZINC000342895448 277083296 /nfs/dbraw/zinc/08/32/96/277083296.db2.gz CPBMPBGWFWMXRH-WFASDCNBSA-N 1 0 342.399 2.632 20 5 EFBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192530271 277197575 /nfs/dbraw/zinc/19/75/75/277197575.db2.gz CBNPBPCWPSAJNM-OKILXGFUSA-N 1 0 331.416 2.526 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000414190611 277312284 /nfs/dbraw/zinc/31/22/84/277312284.db2.gz RJVULBXVJPROSV-CBBWQLFWSA-N 1 0 334.420 2.822 20 5 EFBDRO COC(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272827100 277313561 /nfs/dbraw/zinc/31/35/61/277313561.db2.gz KEAIWSAJMQRWPG-UHFFFAOYSA-N 1 0 329.356 2.841 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000133587290 277750976 /nfs/dbraw/zinc/75/09/76/277750976.db2.gz SPTHTDQFQZWCLS-NSHDSACASA-N 1 0 331.214 2.562 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353750437 278035732 /nfs/dbraw/zinc/03/57/32/278035732.db2.gz OFLXRTQLLIGMMM-GOSISDBHSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000343974255 278071479 /nfs/dbraw/zinc/07/14/79/278071479.db2.gz FUNOYRKSIQFONM-QCPWZWHMSA-N 1 0 331.416 2.892 20 5 EFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449115327 278110703 /nfs/dbraw/zinc/11/07/03/278110703.db2.gz LJRDWAJPNOALEY-UKRRQHHQSA-N 1 0 343.431 2.845 20 5 EFBDRO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359628200 278194605 /nfs/dbraw/zinc/19/46/05/278194605.db2.gz ZHKIGKWWAPPYPY-MJBXVCDLSA-N 1 0 347.415 2.577 20 5 EFBDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288794 278235203 /nfs/dbraw/zinc/23/52/03/278235203.db2.gz OCKFVHDCXJYHDX-NHYWBVRUSA-N 1 0 340.445 2.730 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000411534064 278280081 /nfs/dbraw/zinc/28/00/81/278280081.db2.gz CPRPLMJFKDICFF-JCGIZDLHSA-N 1 0 345.443 2.937 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000079966175 278281790 /nfs/dbraw/zinc/28/17/90/278281790.db2.gz CKDSBCBTUBIYMX-VIFPVBQESA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1Cc2ccccc2C1 ZINC000449292536 278298466 /nfs/dbraw/zinc/29/84/66/278298466.db2.gz DGDRJKFUFQANIP-AWEZNQCLSA-N 1 0 339.395 2.658 20 5 EFBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173049720 278322239 /nfs/dbraw/zinc/32/22/39/278322239.db2.gz YUGDXGHGDSGYAT-GFCCVEGCSA-N 1 0 339.461 2.779 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341109531 278327360 /nfs/dbraw/zinc/32/73/60/278327360.db2.gz JIOOUBMVQCOEFW-KGLIPLIRSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000158529765 278381509 /nfs/dbraw/zinc/38/15/09/278381509.db2.gz QMZUMDMIPLJPPB-MFKMUULPSA-N 1 0 345.321 2.799 20 5 EFBDRO C[S@@](=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183120746 278573642 /nfs/dbraw/zinc/57/36/42/278573642.db2.gz OVDHFILXVKWQQR-GAJHUEQPSA-N 1 0 332.425 2.847 20 5 EFBDRO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564247 279121432 /nfs/dbraw/zinc/12/14/32/279121432.db2.gz WDHJTADHHUAWRJ-HRCADAONSA-N 1 0 338.452 2.909 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000430814925 279122160 /nfs/dbraw/zinc/12/21/60/279122160.db2.gz KYJCQXSGQHCYPH-UONOGXRCSA-N 1 0 336.436 2.564 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338444918 279203360 /nfs/dbraw/zinc/20/33/60/279203360.db2.gz BUVXPGCQDFRFPY-GFCCVEGCSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000411534062 279341806 /nfs/dbraw/zinc/34/18/06/279341806.db2.gz CPRPLMJFKDICFF-FHLIZLRMSA-N 1 0 345.443 2.937 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000358910357 279516208 /nfs/dbraw/zinc/51/62/08/279516208.db2.gz BVWZFHCQPPHLOR-UONOGXRCSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H]1C[NH+](CCC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000267434827 288157070 /nfs/dbraw/zinc/15/70/70/288157070.db2.gz XNPSTVWMXHAEOD-HUUCEWRRSA-N 1 0 348.447 2.706 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C12CCC[NH+]1CCC2 ZINC000370607273 280022407 /nfs/dbraw/zinc/02/24/07/280022407.db2.gz VLIOGFQCKKAETA-UHFFFAOYSA-N 1 0 326.356 2.710 20 5 EFBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000186055743 280161843 /nfs/dbraw/zinc/16/18/43/280161843.db2.gz LDFRVPZRIQVVIT-LJQANCHMSA-N 1 0 341.411 2.854 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449203676 280191106 /nfs/dbraw/zinc/19/11/06/280191106.db2.gz LMLNKVBRWOCPBX-VXGBXAGGSA-N 1 0 337.807 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000420186893 280362467 /nfs/dbraw/zinc/36/24/67/280362467.db2.gz CTZVMJCJUDUVAE-AWEZNQCLSA-N 1 0 326.400 2.880 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342794039 280372613 /nfs/dbraw/zinc/37/26/13/280372613.db2.gz WXSZERAEPPXBBL-UHFFFAOYSA-N 1 0 337.395 2.815 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414660945 280898305 /nfs/dbraw/zinc/89/83/05/280898305.db2.gz PBMVZGCOHXWCIA-KBPBESRZSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000261606323 281008525 /nfs/dbraw/zinc/00/85/25/281008525.db2.gz CUASBQARVRJNDL-INIZCTEOSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000268037957 281010648 /nfs/dbraw/zinc/01/06/48/281010648.db2.gz MYZRZKGXYPMKLT-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000345528877 281257734 /nfs/dbraw/zinc/25/77/34/281257734.db2.gz KNLDVPPCOSIRNZ-MRXNPFEDSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171232824 281261237 /nfs/dbraw/zinc/26/12/37/281261237.db2.gz FAHNVWMMNGWZTQ-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000065478541 292683940 /nfs/dbraw/zinc/68/39/40/292683940.db2.gz RLFJDGIFNOJLHD-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068313823 292702213 /nfs/dbraw/zinc/70/22/13/292702213.db2.gz MAXKRVQZVXOXIE-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000068116596 292701121 /nfs/dbraw/zinc/70/11/21/292701121.db2.gz UZQLETHMYFSCBS-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000366827289 289901881 /nfs/dbraw/zinc/90/18/81/289901881.db2.gz AYQONXRYWLKKKK-UHFFFAOYSA-N 1 0 334.376 2.815 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089306161 292831875 /nfs/dbraw/zinc/83/18/75/292831875.db2.gz UBXVSDWGNWKPBG-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC[NH+]1CCCC1 ZINC000089899839 292844867 /nfs/dbraw/zinc/84/48/67/292844867.db2.gz INIONGAWPMXIKT-ZDUSSCGKSA-N 1 0 345.403 2.733 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000126657140 293046626 /nfs/dbraw/zinc/04/66/26/293046626.db2.gz UHBCYQBUFAABOM-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C2CC2)cc1 ZINC000130670375 293174191 /nfs/dbraw/zinc/17/41/91/293174191.db2.gz ZXIALVXJSOVTHY-GOSISDBHSA-N 1 0 342.395 2.999 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C2CC2)cc1 ZINC000130670574 293174550 /nfs/dbraw/zinc/17/45/50/293174550.db2.gz ZXIALVXJSOVTHY-SFHVURJKSA-N 1 0 342.395 2.999 20 5 EFBDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000130840753 293179870 /nfs/dbraw/zinc/17/98/70/293179870.db2.gz ZNZKCIOSQZKEQD-UHFFFAOYSA-N 1 0 335.404 2.956 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000131781926 293208014 /nfs/dbraw/zinc/20/80/14/293208014.db2.gz XEKGUYYNAUZSKC-OAHLLOKOSA-N 1 0 345.374 2.637 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153812334 293395282 /nfs/dbraw/zinc/39/52/82/293395282.db2.gz XFTLMROWVFFUBW-UKRRQHHQSA-N 1 0 338.404 2.840 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000255425499 293857456 /nfs/dbraw/zinc/85/74/56/293857456.db2.gz SNLYMIKKXLXAGX-FPLPWBNLSA-N 1 0 343.427 2.942 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255560518 293868459 /nfs/dbraw/zinc/86/84/59/293868459.db2.gz RVKXHXROMBXWKJ-TWGQIWQCSA-N 1 0 331.416 2.987 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290166780 294016658 /nfs/dbraw/zinc/01/66/58/294016658.db2.gz MIJACIGKAQTQJW-XJKSGUPXSA-N 1 0 343.387 2.558 20 5 EFBDRO CC(C)n1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000290175927 294018614 /nfs/dbraw/zinc/01/86/14/294018614.db2.gz YTJRQIRPJSWEAF-UHFFFAOYSA-N 1 0 345.403 2.811 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000290544199 294116073 /nfs/dbraw/zinc/11/60/73/294116073.db2.gz ISDLWBCMEARSCC-GFCCVEGCSA-N 1 0 336.392 2.694 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290735693 294170830 /nfs/dbraw/zinc/17/08/30/294170830.db2.gz BKKATMWZOZFBMD-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000290767817 294179909 /nfs/dbraw/zinc/17/99/09/294179909.db2.gz VAQOAWNQPYBZAK-GFCCVEGCSA-N 1 0 336.392 2.692 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865966 294206975 /nfs/dbraw/zinc/20/69/75/294206975.db2.gz ZDURZDMPSMLDMU-GXTWGEPZSA-N 1 0 346.431 2.770 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@@H+]1C1CC1 ZINC000290871173 294208148 /nfs/dbraw/zinc/20/81/48/294208148.db2.gz ZQTRZHYGDSYEQJ-NEPJUHHUSA-N 1 0 346.387 2.589 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNCc1cn(C)nc1C(F)F ZINC000291291718 294337913 /nfs/dbraw/zinc/33/79/13/294337913.db2.gz VURJDEDVKUSEDS-UHFFFAOYSA-N 1 0 326.303 2.564 20 5 EFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])cc1SC ZINC000292169682 294600841 /nfs/dbraw/zinc/60/08/41/294600841.db2.gz VZGRJOQHIRECRC-JTQLQIEISA-N 1 0 341.433 2.573 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293175444 294899045 /nfs/dbraw/zinc/89/90/45/294899045.db2.gz SFFLYMSFAAXYDZ-NSHDSACASA-N 1 0 331.338 2.997 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293256892 294922603 /nfs/dbraw/zinc/92/26/03/294922603.db2.gz FYHNRCIPTQFKSN-NWDGAFQWSA-N 1 0 325.434 2.709 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293510762 294988076 /nfs/dbraw/zinc/98/80/76/294988076.db2.gz SZYNYWPPNDZVNN-HIFRSBDPSA-N 1 0 331.416 2.716 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293563464 295000225 /nfs/dbraw/zinc/00/02/25/295000225.db2.gz CZPLPRWIVBZNCO-ZDUSSCGKSA-N 1 0 334.420 2.620 20 5 EFBDRO Cn1ncc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000293698840 295030271 /nfs/dbraw/zinc/03/02/71/295030271.db2.gz RJLINJACNQACSV-UHFFFAOYSA-N 1 0 344.202 2.753 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293719794 295035655 /nfs/dbraw/zinc/03/56/55/295035655.db2.gz JVRNRJFFOVRIKD-VIFPVBQESA-N 1 0 333.310 2.541 20 5 EFBDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293801285 295052965 /nfs/dbraw/zinc/05/29/65/295052965.db2.gz RDUAJEHETKXYST-GFCCVEGCSA-N 1 0 342.399 2.778 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000293918538 295079386 /nfs/dbraw/zinc/07/93/86/295079386.db2.gz IINACAOTIUYFKI-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[NH+](C)C ZINC000293923529 295080571 /nfs/dbraw/zinc/08/05/71/295080571.db2.gz STURXBKQRJGFDN-AWEZNQCLSA-N 1 0 348.447 2.513 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294045176 295102521 /nfs/dbraw/zinc/10/25/21/295102521.db2.gz GIFYKZJOSIWMAS-CKUKBARFSA-N 1 0 334.420 2.521 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000294177718 295122991 /nfs/dbraw/zinc/12/29/91/295122991.db2.gz OVCROWXKHRCRQK-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294190236 295125309 /nfs/dbraw/zinc/12/53/09/295125309.db2.gz PLUHURGOMNMOHX-IBGZPJMESA-N 1 0 345.443 2.817 20 5 EFBDRO CC(C)(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000294251093 295135446 /nfs/dbraw/zinc/13/54/46/295135446.db2.gz PAGCDWDDZWEFQR-UHFFFAOYSA-N 1 0 333.432 2.603 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N+](=O)[O-] ZINC000294491266 295175483 /nfs/dbraw/zinc/17/54/83/295175483.db2.gz RJQQZNTVSHIUDT-ZDUSSCGKSA-N 1 0 339.461 2.837 20 5 EFBDRO NC(=O)c1cccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000343068122 295188846 /nfs/dbraw/zinc/18/88/46/295188846.db2.gz OHULVKDMHGEBGZ-CQSZACIVSA-N 1 0 346.431 2.903 20 5 EFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594358 295191380 /nfs/dbraw/zinc/19/13/80/295191380.db2.gz CZUDLASTRRNPBD-NSHDSACASA-N 1 0 331.420 2.886 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294644016 295199740 /nfs/dbraw/zinc/19/97/40/295199740.db2.gz GYFYKBFOPNREKY-UHFFFAOYSA-N 1 0 339.411 2.551 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294658260 295201968 /nfs/dbraw/zinc/20/19/68/295201968.db2.gz HZDVOWKOEZBMKS-UHFFFAOYSA-N 1 0 339.411 2.551 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000294686361 295207888 /nfs/dbraw/zinc/20/78/88/295207888.db2.gz XCHKONUQCOPCOA-AWEZNQCLSA-N 1 0 337.420 2.677 20 5 EFBDRO COc1ccncc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000294698025 295210552 /nfs/dbraw/zinc/21/05/52/295210552.db2.gz UYLOAPLEKRRMFP-UHFFFAOYSA-N 1 0 329.356 2.592 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294755451 295221506 /nfs/dbraw/zinc/22/15/06/295221506.db2.gz ZHUZPCDYBKPZHH-UHFFFAOYSA-N 1 0 335.448 2.932 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000294764283 295223101 /nfs/dbraw/zinc/22/31/01/295223101.db2.gz JJFPQOALHFPEPB-MEDUHNTESA-N 1 0 326.393 2.763 20 5 EFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)o1 ZINC000294783927 295226796 /nfs/dbraw/zinc/22/67/96/295226796.db2.gz ASQIVGVILOCXBW-CQSZACIVSA-N 1 0 331.376 2.844 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294792694 295228609 /nfs/dbraw/zinc/22/86/09/295228609.db2.gz AYWWHZVKFZSOKP-QGZVFWFLSA-N 1 0 347.459 2.802 20 5 EFBDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294826111 295233188 /nfs/dbraw/zinc/23/31/88/295233188.db2.gz QSAJNGGCMGORJB-KPZWWZAWSA-N 1 0 327.384 2.662 20 5 EFBDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294826154 295233534 /nfs/dbraw/zinc/23/35/34/295233534.db2.gz QSAJNGGCMGORJB-XIKOKIGWSA-N 1 0 327.384 2.662 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000294843305 295235733 /nfs/dbraw/zinc/23/57/33/295235733.db2.gz BRAWXSABFOWPMI-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905354 295243804 /nfs/dbraw/zinc/24/38/04/295243804.db2.gz WCTOHNNGVXUHQZ-NSHDSACASA-N 1 0 330.344 2.979 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294907612 295243990 /nfs/dbraw/zinc/24/39/90/295243990.db2.gz XWDQQPBLYAEMTK-CQSZACIVSA-N 1 0 349.431 2.717 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294907606 295244106 /nfs/dbraw/zinc/24/41/06/295244106.db2.gz XWDQQPBLYAEMTK-AWEZNQCLSA-N 1 0 349.431 2.717 20 5 EFBDRO Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294939230 295248558 /nfs/dbraw/zinc/24/85/58/295248558.db2.gz JOKLWZUOESBHAP-IUODEOHRSA-N 1 0 327.388 2.626 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000294967581 295252285 /nfs/dbraw/zinc/25/22/85/295252285.db2.gz JSFXJDJHMDOFRY-LBPRGKRZSA-N 1 0 330.388 2.985 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295000820 295256046 /nfs/dbraw/zinc/25/60/46/295256046.db2.gz VXZRYOVKEOTFIE-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295010731 295257387 /nfs/dbraw/zinc/25/73/87/295257387.db2.gz CRTMIEORZWNWAC-RDJZCZTQSA-N 1 0 347.459 2.991 20 5 EFBDRO C[C@H]([N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295040399 295260413 /nfs/dbraw/zinc/26/04/13/295260413.db2.gz AGMZPCOKFJHVNO-VIFPVBQESA-N 1 0 331.210 2.949 20 5 EFBDRO Nc1ncccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295050258 295261829 /nfs/dbraw/zinc/26/18/29/295261829.db2.gz ONKCGKXKULTOMA-UHFFFAOYSA-N 1 0 328.372 2.615 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295111011 295269414 /nfs/dbraw/zinc/26/94/14/295269414.db2.gz LBRDBCZINHKLLP-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000295120442 295270527 /nfs/dbraw/zinc/27/05/27/295270527.db2.gz WNFVYPXIVBNIFD-AWEZNQCLSA-N 1 0 327.812 2.841 20 5 EFBDRO CN(C)C(=O)O[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295128793 295271855 /nfs/dbraw/zinc/27/18/55/295271855.db2.gz OFRROLKBHRBRHA-LBPRGKRZSA-N 1 0 327.768 2.521 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420260937 295277385 /nfs/dbraw/zinc/27/73/85/295277385.db2.gz OPCWOGNVVJEWFS-NEPJUHHUSA-N 1 0 330.388 2.715 20 5 EFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295204282 295281724 /nfs/dbraw/zinc/28/17/24/295281724.db2.gz KQXOASYMPBMXBO-GUTXKFCHSA-N 1 0 348.447 2.544 20 5 EFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000194177795 295283144 /nfs/dbraw/zinc/28/31/44/295283144.db2.gz LODZOUPYHWAIGF-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000295220117 295284098 /nfs/dbraw/zinc/28/40/98/295284098.db2.gz YCEYWSDNWLSUNS-UHFFFAOYSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295323139 295300595 /nfs/dbraw/zinc/30/05/95/295300595.db2.gz LDXBWTAPGYEBHO-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO CSc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295436065 295320089 /nfs/dbraw/zinc/32/00/89/295320089.db2.gz VJHNZSAIZZANDA-GFCCVEGCSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295538925 295337552 /nfs/dbraw/zinc/33/75/52/295337552.db2.gz KLLCFZHZIIBUCE-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295590133 295345856 /nfs/dbraw/zinc/34/58/56/295345856.db2.gz MJHPULPSQQRBHU-CQSZACIVSA-N 1 0 349.431 2.587 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000295647251 295354318 /nfs/dbraw/zinc/35/43/18/295354318.db2.gz RDGQYCWYIQWWGZ-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295646519 295354604 /nfs/dbraw/zinc/35/46/04/295354604.db2.gz IMDKCGBDPZAXSM-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000295830881 295382213 /nfs/dbraw/zinc/38/22/13/295382213.db2.gz CLAQPGNMDAKETM-JCURWCKSSA-N 1 0 347.415 2.635 20 5 EFBDRO C[C@@H](c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295836788 295383344 /nfs/dbraw/zinc/38/33/44/295383344.db2.gz AGANHCALYUOJTP-STQMWFEESA-N 1 0 348.447 2.852 20 5 EFBDRO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000295907852 295395067 /nfs/dbraw/zinc/39/50/67/295395067.db2.gz NVTKYXKZKILODS-AWEZNQCLSA-N 1 0 328.372 2.860 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009104 295411162 /nfs/dbraw/zinc/41/11/62/295411162.db2.gz MLUAKFWHSGLCDC-WKPIXPDZSA-N 1 0 346.387 2.794 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000296330565 295459486 /nfs/dbraw/zinc/45/94/86/295459486.db2.gz QRYVFKYZXKTHAT-DYVFJYSZSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336208 295460334 /nfs/dbraw/zinc/46/03/34/295460334.db2.gz RAVXUDSIBWDZNR-GUYCJALGSA-N 1 0 346.387 2.938 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296384270 295468244 /nfs/dbraw/zinc/46/82/44/295468244.db2.gz FXGLPMXIHFADSN-NOLJZWGESA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000345601997 298560446 /nfs/dbraw/zinc/56/04/46/298560446.db2.gz XGNFMVSOARXZTM-CQSZACIVSA-N 1 0 344.415 2.540 20 5 EFBDRO O=C1CCCCN1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361226694 304624759 /nfs/dbraw/zinc/62/47/59/304624759.db2.gz CBPQVXAXJQGZRK-QGZVFWFLSA-N 1 0 345.443 2.908 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000449165759 298919539 /nfs/dbraw/zinc/91/95/39/298919539.db2.gz ATEYPLINVBXMKY-OLZOCXBDSA-N 1 0 329.404 2.804 20 5 EFBDRO Cc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340778517 301336921 /nfs/dbraw/zinc/33/69/21/301336921.db2.gz NSOBLNBYSHKPRT-GOSISDBHSA-N 1 0 340.383 2.558 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160293919 310697360 /nfs/dbraw/zinc/69/73/60/310697360.db2.gz WRCWFZHZNVZEPW-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO Cn1cc(C[NH2+]CCc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171049679 310741660 /nfs/dbraw/zinc/74/16/60/310741660.db2.gz BWZLDEPWVNMTHO-UHFFFAOYSA-N 1 0 337.383 2.723 20 5 EFBDRO Cn1cc(C[NH2+]Cc2cccc(O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171052529 310741868 /nfs/dbraw/zinc/74/18/68/310741868.db2.gz ZFFKYLCWIXEGRR-UHFFFAOYSA-N 1 0 338.367 2.991 20 5 EFBDRO CC(C)CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000179906286 310792872 /nfs/dbraw/zinc/79/28/72/310792872.db2.gz BWQVYYJJIAWDKA-LSDHHAIUSA-N 1 0 326.441 2.593 20 5 EFBDRO CC(C)CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000179906272 310793041 /nfs/dbraw/zinc/79/30/41/310793041.db2.gz BWQVYYJJIAWDKA-GJZGRUSLSA-N 1 0 326.441 2.593 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255129097 310807845 /nfs/dbraw/zinc/80/78/45/310807845.db2.gz ZDIKEFMHCRRQDK-XFXZXTDPSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255229591 310810843 /nfs/dbraw/zinc/81/08/43/310810843.db2.gz FGSBUTRCQCTUSD-SREVYHEPSA-N 1 0 331.416 2.846 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C2CCC2)CC1 ZINC000297124491 310855711 /nfs/dbraw/zinc/85/57/11/310855711.db2.gz MQQMGVSPBYSIOH-UHFFFAOYSA-N 1 0 342.399 2.826 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297124093 310855713 /nfs/dbraw/zinc/85/57/13/310855713.db2.gz KDPBKLFVUCRJTJ-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297214177 310866880 /nfs/dbraw/zinc/86/68/80/310866880.db2.gz GWWHZXQUKPWHSO-SJLPKXTDSA-N 1 0 335.448 2.872 20 5 EFBDRO Cc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000297435535 310894727 /nfs/dbraw/zinc/89/47/27/310894727.db2.gz IHHZWPYKYAXXOW-CYBMUJFWSA-N 1 0 342.403 2.726 20 5 EFBDRO COCc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000297596486 310912254 /nfs/dbraw/zinc/91/22/54/310912254.db2.gz JOQRWKJOVPHHNO-UHFFFAOYSA-N 1 0 325.752 2.715 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000298116605 310958728 /nfs/dbraw/zinc/95/87/28/310958728.db2.gz OTWOVWLXQJNRJE-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000298643753 311010496 /nfs/dbraw/zinc/01/04/96/311010496.db2.gz MGTYIZIEZMHUEH-GXTWGEPZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298654364 311011611 /nfs/dbraw/zinc/01/16/11/311011611.db2.gz FZJVMRQUCLWMAQ-UHFFFAOYSA-N 1 0 331.372 2.944 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298700183 311015659 /nfs/dbraw/zinc/01/56/59/311015659.db2.gz DIGTXZLXWXTYTA-KGLIPLIRSA-N 1 0 338.795 2.997 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000298760604 311021184 /nfs/dbraw/zinc/02/11/84/311021184.db2.gz RCPNIXQZFQAFOQ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000298841328 311027872 /nfs/dbraw/zinc/02/78/72/311027872.db2.gz CLGUQZUYSYUDBR-GFCCVEGCSA-N 1 0 331.372 2.803 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000299040850 311044645 /nfs/dbraw/zinc/04/46/45/311044645.db2.gz QTGRHQMXBCMQOE-UHFFFAOYSA-N 1 0 325.434 2.898 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299044983 311044842 /nfs/dbraw/zinc/04/48/42/311044842.db2.gz OJJXHCCIUCMZHJ-OLZOCXBDSA-N 1 0 335.429 2.673 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000299055053 311046158 /nfs/dbraw/zinc/04/61/58/311046158.db2.gz TUNBGDLYXZJSRS-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209770 311061685 /nfs/dbraw/zinc/06/16/85/311061685.db2.gz BLGRPKWCWZGJMC-TZMCWYRMSA-N 1 0 335.404 2.731 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000299223718 311062731 /nfs/dbraw/zinc/06/27/31/311062731.db2.gz OVUSEXWRJFCDSW-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000299288170 311069446 /nfs/dbraw/zinc/06/94/46/311069446.db2.gz FNZICNZFTZLZGK-UHFFFAOYSA-N 1 0 337.445 2.994 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000299316669 311072105 /nfs/dbraw/zinc/07/21/05/311072105.db2.gz WWGHQHBPWAGLOH-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[NH+](C)CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299448372 311085878 /nfs/dbraw/zinc/08/58/78/311085878.db2.gz GQSIKXUVPXPOPA-UHFFFAOYSA-N 1 0 348.428 2.790 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299577650 311098792 /nfs/dbraw/zinc/09/87/92/311098792.db2.gz UUTVXVXUNOZZEG-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000299585258 311099601 /nfs/dbraw/zinc/09/96/01/311099601.db2.gz HWWDFCWTBVFQRT-OAHLLOKOSA-N 1 0 343.383 2.637 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301091740 311118584 /nfs/dbraw/zinc/11/85/84/311118584.db2.gz WXCGKOWFPMCHPE-UHFFFAOYSA-N 1 0 342.355 2.973 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000301126154 311120415 /nfs/dbraw/zinc/12/04/15/311120415.db2.gz WACXXOWCFVNECE-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CNC(=O)c1ccc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301155065 311121518 /nfs/dbraw/zinc/12/15/18/311121518.db2.gz FQQVIOMBOQFBEU-ZDUSSCGKSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301290927 311129477 /nfs/dbraw/zinc/12/94/77/311129477.db2.gz WRJSQLWOMRMVAH-QWRGUYRKSA-N 1 0 347.337 2.505 20 5 EFBDRO Cc1ccnc(N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301308939 311130540 /nfs/dbraw/zinc/13/05/40/311130540.db2.gz XCJIBOSZEULEKD-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301373873 311134278 /nfs/dbraw/zinc/13/42/78/311134278.db2.gz UWDSGUBLSULQHV-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000301435810 311137172 /nfs/dbraw/zinc/13/71/72/311137172.db2.gz JMLAEPPUGKEKBK-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000301445247 311137888 /nfs/dbraw/zinc/13/78/88/311137888.db2.gz PJERFDLJWXXPSL-LLVKDONJSA-N 1 0 347.337 2.771 20 5 EFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000301480325 311139803 /nfs/dbraw/zinc/13/98/03/311139803.db2.gz DHTNEZKFLDLPCR-UHFFFAOYSA-N 1 0 327.797 2.512 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301503489 311141350 /nfs/dbraw/zinc/14/13/50/311141350.db2.gz FXSBACYKWOZWBT-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301547855 311143654 /nfs/dbraw/zinc/14/36/54/311143654.db2.gz PPFHFADMKDYCPP-INIZCTEOSA-N 1 0 344.415 2.648 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301562348 311144478 /nfs/dbraw/zinc/14/44/78/311144478.db2.gz VBORBPNNQXQTKI-NSHDSACASA-N 1 0 331.376 2.530 20 5 EFBDRO CCOc1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000301567683 311145140 /nfs/dbraw/zinc/14/51/40/311145140.db2.gz ZPIQFBUSKAVORL-UHFFFAOYSA-N 1 0 328.372 2.715 20 5 EFBDRO Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301614592 311147731 /nfs/dbraw/zinc/14/77/31/311147731.db2.gz AVORJKVHIKYUDA-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000301779248 311157628 /nfs/dbraw/zinc/15/76/28/311157628.db2.gz QNEWFJMAVBEUIG-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839435 311161711 /nfs/dbraw/zinc/16/17/11/311161711.db2.gz XLJQUKAPZXJFLH-MRXNPFEDSA-N 1 0 341.415 2.891 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302012855 311171983 /nfs/dbraw/zinc/17/19/83/311171983.db2.gz DESHUOANFZLZBG-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cn3)c2)CC1 ZINC000302210270 311185017 /nfs/dbraw/zinc/18/50/17/311185017.db2.gz GGGZWZPMFOPECN-UHFFFAOYSA-N 1 0 342.403 2.659 20 5 EFBDRO Cc1cc(N[C@@H](C)[C@H](C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212662 311185043 /nfs/dbraw/zinc/18/50/43/311185043.db2.gz YYDQZYBDNUARCZ-KBPBESRZSA-N 1 0 344.415 2.973 20 5 EFBDRO Cc1cccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000302478425 311190934 /nfs/dbraw/zinc/19/09/34/311190934.db2.gz FWABTCSGLYCSBZ-KRWDZBQOSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1cccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302494363 311191517 /nfs/dbraw/zinc/19/15/17/311191517.db2.gz LIEJVJRHJPDBSP-IRXDYDNUSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CCC([NH+](C)C)CC1 ZINC000302821315 311202918 /nfs/dbraw/zinc/20/29/18/311202918.db2.gz KBKZFNOUQRNJTF-UHFFFAOYSA-N 1 0 340.855 2.995 20 5 EFBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304358607 311212055 /nfs/dbraw/zinc/21/20/55/311212055.db2.gz SVPSJYGSDGEEKR-DOMZBBRYSA-N 1 0 344.371 2.591 20 5 EFBDRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000305653064 311223714 /nfs/dbraw/zinc/22/37/14/311223714.db2.gz OKPQTZHCRPUGOO-SGMGOOAPSA-N 1 0 346.387 2.799 20 5 EFBDRO COc1ccc(-c2ccc(C[N@H+](CCO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000305729493 311224578 /nfs/dbraw/zinc/22/45/78/311224578.db2.gz KKWDXBYDLURJII-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000325005258 311242558 /nfs/dbraw/zinc/24/25/58/311242558.db2.gz CYWFSXMYISOMJR-AFCDSYGPSA-N 1 0 329.400 2.599 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000330546073 311321406 /nfs/dbraw/zinc/32/14/06/311321406.db2.gz CCQCWKFZTFRWJO-OLZOCXBDSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000330546075 311321485 /nfs/dbraw/zinc/32/14/85/311321485.db2.gz CCQCWKFZTFRWJO-STQMWFEESA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000330581127 311322683 /nfs/dbraw/zinc/32/26/83/311322683.db2.gz QMSUFPOLBGHXCC-KBPBESRZSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000330581130 311322801 /nfs/dbraw/zinc/32/28/01/311322801.db2.gz QMSUFPOLBGHXCC-ZIAGYGMSSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000330869349 311340234 /nfs/dbraw/zinc/34/02/34/311340234.db2.gz SXAIDRNZFRKBFJ-GFCCVEGCSA-N 1 0 337.395 2.638 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330897761 311342316 /nfs/dbraw/zinc/34/23/16/311342316.db2.gz HVBTUVJEXSYZDS-FRRDWIJNSA-N 1 0 337.445 2.674 20 5 EFBDRO Cc1c(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000330954398 311345772 /nfs/dbraw/zinc/34/57/72/311345772.db2.gz GLSWLLDVAPBPDJ-UHFFFAOYSA-N 1 0 333.432 2.684 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000330971462 311346608 /nfs/dbraw/zinc/34/66/08/311346608.db2.gz JYQQVLUZUYGKLB-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000330971463 311346733 /nfs/dbraw/zinc/34/67/33/311346733.db2.gz JYQQVLUZUYGKLB-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330988220 311347487 /nfs/dbraw/zinc/34/74/87/311347487.db2.gz RBGVBVCOUPRSSB-NEPJUHHUSA-N 1 0 325.384 2.657 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331312058 311366917 /nfs/dbraw/zinc/36/69/17/311366917.db2.gz CAMLROJUZFWJHN-TXEJJXNPSA-N 1 0 325.384 2.657 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331495636 311383006 /nfs/dbraw/zinc/38/30/06/311383006.db2.gz GSJWFBPMPXFYND-CHWSQXEVSA-N 1 0 327.388 2.738 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594016 311394781 /nfs/dbraw/zinc/39/47/81/311394781.db2.gz BYZSEDJYWRDTBE-CJNGLKHVSA-N 1 0 349.456 2.775 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331623399 311398655 /nfs/dbraw/zinc/39/86/55/311398655.db2.gz YCQJIIGNWQXEIU-OCCSQVGLSA-N 1 0 327.388 2.738 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)C2CCCCC2)n1 ZINC000331741939 311415415 /nfs/dbraw/zinc/41/54/15/311415415.db2.gz WIVVIIZCCLKILQ-OAGGEKHMSA-N 1 0 336.436 2.806 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C2CCCCC2)n1 ZINC000331741935 311415454 /nfs/dbraw/zinc/41/54/54/311415454.db2.gz WIVVIIZCCLKILQ-ARFHVFGLSA-N 1 0 336.436 2.806 20 5 EFBDRO C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331768408 311418084 /nfs/dbraw/zinc/41/80/84/311418084.db2.gz BLMFTQWKDYPNAJ-OAHLLOKOSA-N 1 0 346.431 2.578 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000331917001 311434029 /nfs/dbraw/zinc/43/40/29/311434029.db2.gz BMFNXUWCAUOABQ-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331979760 311440785 /nfs/dbraw/zinc/44/07/85/311440785.db2.gz SPVQSCWTGCPFLV-HOCLYGCPSA-N 1 0 331.416 2.816 20 5 EFBDRO CN(C)[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000331997728 311442890 /nfs/dbraw/zinc/44/28/90/311442890.db2.gz VTQXNVARTRIBPX-IRXDYDNUSA-N 1 0 335.473 2.999 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000332113644 311457177 /nfs/dbraw/zinc/45/71/77/311457177.db2.gz HCTUQPVDERDPSD-RHSMWYFYSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332387610 311497343 /nfs/dbraw/zinc/49/73/43/311497343.db2.gz IYQVWASAEWKHGC-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CC[C@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332399328 311499034 /nfs/dbraw/zinc/49/90/34/311499034.db2.gz RNAXZFMCLOMHOW-CVEARBPZSA-N 1 0 333.432 2.922 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000332461633 311507504 /nfs/dbraw/zinc/50/75/04/311507504.db2.gz QJMLPPDEOJVKEQ-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342922722 311726555 /nfs/dbraw/zinc/72/65/55/311726555.db2.gz XRRHWLXNNKXZAY-UHFFFAOYSA-N 1 0 344.415 2.880 20 5 EFBDRO CC(C)[NH+](CCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000356380513 311899935 /nfs/dbraw/zinc/89/99/35/311899935.db2.gz ILVFQGMHEWGIPV-UHFFFAOYSA-N 1 0 336.436 2.584 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414293286 312049427 /nfs/dbraw/zinc/04/94/27/312049427.db2.gz MKHUFSUCNROUBY-PVUWLOKVSA-N 1 0 337.420 2.697 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000414558421 312051091 /nfs/dbraw/zinc/05/10/91/312051091.db2.gz YVQWLXULLWRVTD-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO Cn1cc(CNCC2([NH3+])CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414833375 312055685 /nfs/dbraw/zinc/05/56/85/312055685.db2.gz APHHRNBLMSIRNF-UHFFFAOYSA-N 1 0 343.431 2.747 20 5 EFBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000414841212 312057305 /nfs/dbraw/zinc/05/73/05/312057305.db2.gz LDOMSZGTGQLBGY-UHFFFAOYSA-N 1 0 329.347 2.947 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415046702 312082975 /nfs/dbraw/zinc/08/29/75/312082975.db2.gz VCKUCOYDGDVBKU-CQSZACIVSA-N 1 0 332.429 2.948 20 5 EFBDRO COc1cc(CN(C)CC[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415101697 312094366 /nfs/dbraw/zinc/09/43/66/312094366.db2.gz CKAXGTXEAFQIMK-UHFFFAOYSA-N 1 0 345.399 2.573 20 5 EFBDRO COc1cc(CN2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000415132263 312099898 /nfs/dbraw/zinc/09/98/98/312099898.db2.gz CHEKBUVRPJRYKC-CQSZACIVSA-N 1 0 343.383 2.502 20 5 EFBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415437874 312139466 /nfs/dbraw/zinc/13/94/66/312139466.db2.gz LGTRMCFWGMVSES-SNVBAGLBSA-N 1 0 346.309 2.829 20 5 EFBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415449166 312140472 /nfs/dbraw/zinc/14/04/72/312140472.db2.gz VJUJJTYVQBDQRP-MRVPVSSYSA-N 1 0 334.298 2.591 20 5 EFBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415446455 312140557 /nfs/dbraw/zinc/14/05/57/312140557.db2.gz SZEHCGHZMVZSHV-VIFPVBQESA-N 1 0 346.309 2.735 20 5 EFBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415453315 312141252 /nfs/dbraw/zinc/14/12/52/312141252.db2.gz ZBNVBULBHNUZFQ-UHFFFAOYSA-N 1 0 334.298 2.735 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000415650741 312162148 /nfs/dbraw/zinc/16/21/48/312162148.db2.gz BQJCLQSACJHZPQ-UTJXIGIESA-N 1 0 331.416 2.639 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000415650555 312162357 /nfs/dbraw/zinc/16/23/57/312162357.db2.gz BQJCLQSACJHZPQ-MGBSGCIJSA-N 1 0 331.416 2.639 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415653196 312162862 /nfs/dbraw/zinc/16/28/62/312162862.db2.gz IAIUBKXAAFPSED-DGCLKSJQSA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415667633 312162972 /nfs/dbraw/zinc/16/29/72/312162972.db2.gz YGZLZYCAJPSRBX-VXGBXAGGSA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415667630 312162984 /nfs/dbraw/zinc/16/29/84/312162984.db2.gz YGZLZYCAJPSRBX-NEPJUHHUSA-N 1 0 336.392 2.633 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417147957 312194620 /nfs/dbraw/zinc/19/46/20/312194620.db2.gz ZWDLBUCGFVRFIU-IUODEOHRSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417138956 312194783 /nfs/dbraw/zinc/19/47/83/312194783.db2.gz OOQVVQNLAHTKAR-CWRNSKLLSA-N 1 0 346.431 2.687 20 5 EFBDRO COCCCN(C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303915 312206225 /nfs/dbraw/zinc/20/62/25/312206225.db2.gz DUIWTUFGLNECMY-SFHVURJKSA-N 1 0 335.448 2.920 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304784 312206369 /nfs/dbraw/zinc/20/63/69/312206369.db2.gz FOGGAWCMTZAHIT-YJBOKZPZSA-N 1 0 333.432 2.673 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000417308736 312207069 /nfs/dbraw/zinc/20/70/69/312207069.db2.gz IEOPXKQGVFFFDE-GUYCJALGSA-N 1 0 329.400 2.715 20 5 EFBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417311999 312207291 /nfs/dbraw/zinc/20/72/91/312207291.db2.gz MYJNQDFTEREIOJ-WMLDXEAASA-N 1 0 341.415 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN(C3CC3)CCO1)CCCC2 ZINC000417311208 312207324 /nfs/dbraw/zinc/20/73/24/312207324.db2.gz OAELQKGCHJFLKY-IEBWSBKVSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C1CCOCC1)CCCC2 ZINC000417314192 312207596 /nfs/dbraw/zinc/20/75/96/312207596.db2.gz YHVYWWQIPRSNTB-ROUUACIJSA-N 1 0 334.416 2.739 20 5 EFBDRO O=C(NCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000417331380 312209827 /nfs/dbraw/zinc/20/98/27/312209827.db2.gz WBNKDWPVIXBGOT-MRXNPFEDSA-N 1 0 343.383 2.975 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(O)CCOCC1)CCCC2 ZINC000417337567 312210988 /nfs/dbraw/zinc/21/09/88/312210988.db2.gz XCKRAQCSMFETPT-KRWDZBQOSA-N 1 0 334.416 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)CCCC2 ZINC000417349766 312212717 /nfs/dbraw/zinc/21/27/17/312212717.db2.gz MIROQKGFMQRDDH-VQIMIIECSA-N 1 0 347.459 2.799 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417397214 312218505 /nfs/dbraw/zinc/21/85/05/312218505.db2.gz XSLWMBGQALKLKD-OCCSQVGLSA-N 1 0 327.375 2.845 20 5 EFBDRO C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417710070 312259734 /nfs/dbraw/zinc/25/97/34/312259734.db2.gz CTOQILTYOIZGMQ-PBHICJAKSA-N 1 0 348.447 2.686 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417711846 312260030 /nfs/dbraw/zinc/26/00/30/312260030.db2.gz DYCHLUBFFGROLY-MRXNPFEDSA-N 1 0 348.447 2.559 20 5 EFBDRO CC[C@H](NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417818687 312274622 /nfs/dbraw/zinc/27/46/22/312274622.db2.gz BCJNYCOXHUCHLP-INWMFGNUSA-N 1 0 334.420 2.863 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417845412 312280233 /nfs/dbraw/zinc/28/02/33/312280233.db2.gz IJDQCFFAUFBQFF-ZDUSSCGKSA-N 1 0 332.404 2.573 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848305 312280956 /nfs/dbraw/zinc/28/09/56/312280956.db2.gz KMUQBOSWZNKRCH-DZGCQCFKSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417856530 312283047 /nfs/dbraw/zinc/28/30/47/312283047.db2.gz SKDFMJHJFJTORP-ZLDLUXBVSA-N 1 0 334.420 2.733 20 5 EFBDRO CC[C@@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417859869 312284281 /nfs/dbraw/zinc/28/42/81/312284281.db2.gz XGKNCDAQYYYYPM-XJKSGUPXSA-N 1 0 334.420 2.735 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356418 312364021 /nfs/dbraw/zinc/36/40/21/312364021.db2.gz CUVFCSVNSQEVRU-SFHVURJKSA-N 1 0 333.432 2.958 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420578955 312372886 /nfs/dbraw/zinc/37/28/86/312372886.db2.gz ABDBFMGUHHMNBR-HZSPNIEDSA-N 1 0 346.431 2.535 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000420583016 312373244 /nfs/dbraw/zinc/37/32/44/312373244.db2.gz JQPYFKZMFJAGFO-CQSZACIVSA-N 1 0 344.371 2.536 20 5 EFBDRO C[N@H+](CCCNc1c(C(N)=O)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420590834 312374011 /nfs/dbraw/zinc/37/40/11/312374011.db2.gz UKQYSDBRZYGPII-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420588993 312374308 /nfs/dbraw/zinc/37/43/08/312374308.db2.gz SKHHJHSXEJIAMA-ZDUSSCGKSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000420811874 312395681 /nfs/dbraw/zinc/39/56/81/312395681.db2.gz FTHUXZMLMRDRFP-GRTSSRMGSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423533937 312431233 /nfs/dbraw/zinc/43/12/33/312431233.db2.gz UUBULUSZTHKXEL-ZJUUUORDSA-N 1 0 343.836 2.536 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423576923 312434318 /nfs/dbraw/zinc/43/43/18/312434318.db2.gz RPRDQRNWDMDQAO-TUKIKUTGSA-N 1 0 349.456 2.906 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423599623 312436900 /nfs/dbraw/zinc/43/69/00/312436900.db2.gz XMSHHVOEQWBBNM-WDEREUQCSA-N 1 0 343.836 2.726 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423832772 312465958 /nfs/dbraw/zinc/46/59/58/312465958.db2.gz ALMAFQIEZINGHN-KMUNFCNLSA-N 1 0 337.807 2.785 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000423950502 312487796 /nfs/dbraw/zinc/48/77/96/312487796.db2.gz YLXFSYQYIZSOGU-HNNXBMFYSA-N 1 0 327.384 2.895 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424040957 312501582 /nfs/dbraw/zinc/50/15/82/312501582.db2.gz MRPNNONRJCQEFA-OAHLLOKOSA-N 1 0 335.379 2.584 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424041673 312502121 /nfs/dbraw/zinc/50/21/21/312502121.db2.gz OILRJKIVUHJFML-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CC(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432329362 312556979 /nfs/dbraw/zinc/55/69/79/312556979.db2.gz OTOXIADGACVNCA-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432339192 312557901 /nfs/dbraw/zinc/55/79/01/312557901.db2.gz ZRVWZRURLCSBRU-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000449343011 312686590 /nfs/dbraw/zinc/68/65/90/312686590.db2.gz HCWCUSVKEKLLHP-CZUORRHYSA-N 1 0 327.384 2.732 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453198723 312878312 /nfs/dbraw/zinc/87/83/12/312878312.db2.gz VUDWIAXKAIEIFL-MRXNPFEDSA-N 1 0 349.412 2.504 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453359716 312892200 /nfs/dbraw/zinc/89/22/00/312892200.db2.gz QFXXSZLINQEPHH-BFHYXJOUSA-N 1 0 332.408 2.842 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cnc(C)cn2)cc1[N+](=O)[O-] ZINC000453396373 312897751 /nfs/dbraw/zinc/89/77/51/312897751.db2.gz IMDZEAYOYBIDPA-CYBMUJFWSA-N 1 0 330.388 2.985 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC(=O)N1 ZINC000453587479 312913278 /nfs/dbraw/zinc/91/32/78/312913278.db2.gz JXNPGHCDLIHSGP-KRWDZBQOSA-N 1 0 329.356 2.613 20 5 EFBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC(=O)N1 ZINC000453585910 312913562 /nfs/dbraw/zinc/91/35/62/312913562.db2.gz HUFLYEIDDYKGGM-QGZVFWFLSA-N 1 0 329.356 2.613 20 5 EFBDRO CSc1cccc(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457173954 313039138 /nfs/dbraw/zinc/03/91/38/313039138.db2.gz VWRKQIOIWKNQKC-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000469671490 313124484 /nfs/dbraw/zinc/12/44/84/313124484.db2.gz SQPQQOXYYSVWIA-HUUCEWRRSA-N 1 0 333.432 2.907 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000471229195 313140438 /nfs/dbraw/zinc/14/04/38/313140438.db2.gz UUHWYPAQKSDPDH-SFHVURJKSA-N 1 0 349.431 2.763 20 5 EFBDRO CCC(O)(CC)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000471755940 313156353 /nfs/dbraw/zinc/15/63/53/313156353.db2.gz HGMQKKXMFUMLHF-CYBMUJFWSA-N 1 0 337.420 2.843 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000473505984 313198798 /nfs/dbraw/zinc/19/87/98/313198798.db2.gz CJOSABVGWMKCRB-AWEZNQCLSA-N 1 0 326.400 2.994 20 5 EFBDRO CCOC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000474076291 313204591 /nfs/dbraw/zinc/20/45/91/313204591.db2.gz RRCGATWRUXFRQA-BBRMVZONSA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475703713 313224976 /nfs/dbraw/zinc/22/49/76/313224976.db2.gz YAOGKIZRDZEOEM-OCCSQVGLSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000476061124 313229006 /nfs/dbraw/zinc/22/90/06/313229006.db2.gz GFOQTWYQVPKSGZ-AWEZNQCLSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000476437935 313233252 /nfs/dbraw/zinc/23/32/52/313233252.db2.gz QDTIASMRGKBGFS-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000477861994 313246269 /nfs/dbraw/zinc/24/62/69/313246269.db2.gz QXAWEXMPUPWWOX-WBMJQRKESA-N 1 0 337.420 2.697 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000480066121 313278683 /nfs/dbraw/zinc/27/86/83/313278683.db2.gz ZEEKBWQYWYRQTF-HNNXBMFYSA-N 1 0 348.447 2.777 20 5 EFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485404092 313327391 /nfs/dbraw/zinc/32/73/91/313327391.db2.gz XOXWPTZIQPHPRO-UHFFFAOYSA-N 1 0 344.390 2.972 20 5 EFBDRO CCOC(=O)c1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487072111 313363197 /nfs/dbraw/zinc/36/31/97/313363197.db2.gz WHDFEFOIKPHWAJ-INIZCTEOSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOC(=O)c1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487072113 313363433 /nfs/dbraw/zinc/36/34/33/313363433.db2.gz WHDFEFOIKPHWAJ-MRXNPFEDSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C[NH+](C)C ZINC000488995414 313533981 /nfs/dbraw/zinc/53/39/81/313533981.db2.gz USIZYHBXLRQTLA-AWEZNQCLSA-N 1 0 344.415 2.600 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489358821 313566311 /nfs/dbraw/zinc/56/63/11/313566311.db2.gz CLWIFVOCSCHFHJ-UONOGXRCSA-N 1 0 336.436 2.994 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492006979 313841107 /nfs/dbraw/zinc/84/11/07/313841107.db2.gz HFGMBEFPRYSRRW-CLFYSBASSA-N 1 0 337.395 2.937 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492089831 313870797 /nfs/dbraw/zinc/87/07/97/313870797.db2.gz PXESROLQBMBUMQ-LPXAQJHASA-N 1 0 335.379 2.736 20 5 EFBDRO CS[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000492262585 313928348 /nfs/dbraw/zinc/92/83/48/313928348.db2.gz XMAQMIDWXOPWSW-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492323016 313950693 /nfs/dbraw/zinc/95/06/93/313950693.db2.gz UGRJVIMXOXOWCF-CKXPSTMWSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492344332 313958191 /nfs/dbraw/zinc/95/81/91/313958191.db2.gz XIAFKAUWTRLWEO-SCXUMTSISA-N 1 0 349.406 2.936 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492344334 313958311 /nfs/dbraw/zinc/95/83/11/313958311.db2.gz XIAFKAUWTRLWEO-VUDGCMKMSA-N 1 0 349.406 2.936 20 5 EFBDRO CCOc1cc(C[NH+]2CCC(CC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000492416763 313982831 /nfs/dbraw/zinc/98/28/31/313982831.db2.gz LAPSAFOGCSKVOD-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1C ZINC000492419471 313983412 /nfs/dbraw/zinc/98/34/12/313983412.db2.gz VQYRTXQHBIBROL-UHFFFAOYSA-N 1 0 331.372 2.745 20 5 EFBDRO C[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000492486420 314008467 /nfs/dbraw/zinc/00/84/67/314008467.db2.gz GDFXSUKFEFAIKD-FUEXJSSKSA-N 1 0 333.363 2.514 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000492797563 314129026 /nfs/dbraw/zinc/12/90/26/314129026.db2.gz JGQBISKUDHZITL-PNJTVDSWSA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000492805521 314132674 /nfs/dbraw/zinc/13/26/74/314132674.db2.gz ZHOWKWGBHGENED-XMELGKRDSA-N 1 0 343.427 2.941 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492806062 314133148 /nfs/dbraw/zinc/13/31/48/314133148.db2.gz ZVZWCEZMTOIMJQ-RBJPWVEASA-N 1 0 329.400 2.693 20 5 EFBDRO CCOc1cc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000492819900 314137462 /nfs/dbraw/zinc/13/74/62/314137462.db2.gz UOSKMQMBSPPQDR-ZDUSSCGKSA-N 1 0 349.431 2.730 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492881984 314163361 /nfs/dbraw/zinc/16/33/61/314163361.db2.gz SKJPNFFTJLFTNG-PLDWVVQRSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492920867 314177527 /nfs/dbraw/zinc/17/75/27/314177527.db2.gz KIQDGGPMQLZSGG-MOCUHTECSA-N 1 0 347.390 2.832 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492932111 314182423 /nfs/dbraw/zinc/18/24/23/314182423.db2.gz RVLWDAFTBPOSOL-INOXOVODSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493083179 314234619 /nfs/dbraw/zinc/23/46/19/314234619.db2.gz MBMGSDAPIFSNFJ-AFNCTOJWSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000493141111 314255554 /nfs/dbraw/zinc/25/55/54/314255554.db2.gz PAKZGSMZALABHS-HKLWWIALSA-N 1 0 347.390 2.595 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493141722 314255557 /nfs/dbraw/zinc/25/55/57/314255557.db2.gz SGIWHQBBXCKRGS-MJRGOJFPSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000493173016 314266106 /nfs/dbraw/zinc/26/61/06/314266106.db2.gz SULXIIALQIIQPC-LEXSJLIMSA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000493329926 314318376 /nfs/dbraw/zinc/31/83/76/314318376.db2.gz XJYQAAZLKWKFBB-KXFIGUGUSA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493363996 314329999 /nfs/dbraw/zinc/32/99/99/314329999.db2.gz FTARYYCSMYOLTJ-LWULTOEVSA-N 1 0 329.400 2.599 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000493487203 314374197 /nfs/dbraw/zinc/37/41/97/314374197.db2.gz MHTFAJDYZSOVMU-MJRGOJFPSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493745011 314463994 /nfs/dbraw/zinc/46/39/94/314463994.db2.gz IIQMWXUBNNHWKT-PLDWVVQRSA-N 1 0 329.400 2.693 20 5 EFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250571 314565451 /nfs/dbraw/zinc/56/54/51/314565451.db2.gz JQUJOEWATWXGBU-RFAUZJTJSA-N 1 0 346.330 2.862 20 5 EFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000495819139 314840385 /nfs/dbraw/zinc/84/03/85/314840385.db2.gz UPROLMHYNWIRQL-AWEZNQCLSA-N 1 0 349.431 2.984 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000495939084 314884958 /nfs/dbraw/zinc/88/49/58/314884958.db2.gz BQJLVDOEXMWHRT-HNNXBMFYSA-N 1 0 348.403 2.742 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000497515448 315393186 /nfs/dbraw/zinc/39/31/86/315393186.db2.gz MVUMMAWYAPGXDS-QWHCGFSZSA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000498208118 315400631 /nfs/dbraw/zinc/40/06/31/315400631.db2.gz ODYXHBOZPRGHNQ-AEFFLSMTSA-N 1 0 333.432 2.941 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000503516587 315444184 /nfs/dbraw/zinc/44/41/84/315444184.db2.gz MXJUWPRMHLQHGA-OASPWFOLSA-N 1 0 343.330 2.672 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000505565183 315459716 /nfs/dbraw/zinc/45/97/16/315459716.db2.gz UADLBCLBVDGZBV-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000516187378 315660900 /nfs/dbraw/zinc/66/09/00/315660900.db2.gz CCPFGPOCTANEKZ-KGLIPLIRSA-N 1 0 331.416 2.516 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000516950073 315722063 /nfs/dbraw/zinc/72/20/63/315722063.db2.gz YSNMUCKZHREQJV-JONQDZQNSA-N 1 0 334.420 2.822 20 5 EFBDRO O=C(NCCC[NH2+]C1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000517374867 315758746 /nfs/dbraw/zinc/75/87/46/315758746.db2.gz CNKQAOORQJMISN-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO O=C(CC[NH2+][C@@H]1COc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000519141344 315846462 /nfs/dbraw/zinc/84/64/62/315846462.db2.gz AMIHRBRGNUDPQO-AWEZNQCLSA-N 1 0 341.367 2.517 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000521228680 316009416 /nfs/dbraw/zinc/00/94/16/316009416.db2.gz MBTDYRPDGHJYJN-OAHLLOKOSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000521339180 316016058 /nfs/dbraw/zinc/01/60/58/316016058.db2.gz PNOYFOJGYBQGBP-CYBMUJFWSA-N 1 0 344.415 2.793 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000522116956 316071073 /nfs/dbraw/zinc/07/10/73/316071073.db2.gz SHQZIEUSPHVZMJ-HNNXBMFYSA-N 1 0 348.447 2.517 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522175290 316077633 /nfs/dbraw/zinc/07/76/33/316077633.db2.gz FFKDNINYJHTNHB-OAHLLOKOSA-N 1 0 340.383 2.841 20 5 EFBDRO CCc1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000523776146 316138844 /nfs/dbraw/zinc/13/88/44/316138844.db2.gz RYAKHEDNYJIRHD-UHFFFAOYSA-N 1 0 340.427 2.917 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000525291600 316206750 /nfs/dbraw/zinc/20/67/50/316206750.db2.gz MLFLDXBIWMKMQH-NSHDSACASA-N 1 0 333.413 2.881 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000525354200 316211785 /nfs/dbraw/zinc/21/17/85/316211785.db2.gz DXMABBMMSMPTHX-OAHLLOKOSA-N 1 0 348.447 2.653 20 5 EFBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000530865682 317188835 /nfs/dbraw/zinc/18/88/35/317188835.db2.gz MQKYDSHUPCEWHY-AWEZNQCLSA-N 1 0 330.388 2.544 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530949715 317200543 /nfs/dbraw/zinc/20/05/43/317200543.db2.gz GHCPODAIKYDYMK-UKRRQHHQSA-N 1 0 336.436 2.564 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000531376070 317258188 /nfs/dbraw/zinc/25/81/88/317258188.db2.gz SICHJOHWVWUNIS-DZGCQCFKSA-N 1 0 334.420 2.609 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000531569745 317284817 /nfs/dbraw/zinc/28/48/17/317284817.db2.gz FUSRUXQMMJWFEY-ZDUSSCGKSA-N 1 0 335.404 2.914 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768709 317310807 /nfs/dbraw/zinc/31/08/07/317310807.db2.gz GURPQTJBMQOIGG-HUUCEWRRSA-N 1 0 332.400 2.950 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768705 317310983 /nfs/dbraw/zinc/31/09/83/317310983.db2.gz GURPQTJBMQOIGG-CABCVRRESA-N 1 0 332.400 2.950 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)C1CC1 ZINC000532024834 317344422 /nfs/dbraw/zinc/34/44/22/317344422.db2.gz DKTMXDVOKDUJAE-KBXCAEBGSA-N 1 0 344.411 2.950 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000534868948 317564099 /nfs/dbraw/zinc/56/40/99/317564099.db2.gz IYISOTKSONNVMQ-UHFFFAOYSA-N 1 0 345.374 2.775 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000537955497 317686559 /nfs/dbraw/zinc/68/65/59/317686559.db2.gz YOTSBDPUKLDEQP-LBPRGKRZSA-N 1 0 346.408 2.775 20 5 EFBDRO CNc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000541527421 317779759 /nfs/dbraw/zinc/77/97/59/317779759.db2.gz XPIYNQUSXOGFQK-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741824 317788221 /nfs/dbraw/zinc/78/82/21/317788221.db2.gz ZDBVJGRJEDURSJ-JKSUJKDBSA-N 1 0 340.445 2.783 20 5 EFBDRO CCc1ccc([C@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000543836158 317867902 /nfs/dbraw/zinc/86/79/02/317867902.db2.gz JJTJIRVGFXIZLG-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548087763 318071650 /nfs/dbraw/zinc/07/16/50/318071650.db2.gz SQFHAKWXFJNTMD-KGLIPLIRSA-N 1 0 336.367 2.824 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000548416817 318105744 /nfs/dbraw/zinc/10/57/44/318105744.db2.gz JVIPVHACQRQUHN-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000548454784 318109934 /nfs/dbraw/zinc/10/99/34/318109934.db2.gz CDIAPHCGADZHJS-LBPRGKRZSA-N 1 0 325.434 2.911 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000548751121 318139998 /nfs/dbraw/zinc/13/99/98/318139998.db2.gz UJDFNOLWKATJNH-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549698866 318180172 /nfs/dbraw/zinc/18/01/72/318180172.db2.gz KPIDSFCMXPKBRQ-RHSMWYFYSA-N 1 0 330.384 2.728 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000551099407 318201771 /nfs/dbraw/zinc/20/17/71/318201771.db2.gz LNORNCHLNDHIFT-AWEZNQCLSA-N 1 0 335.448 2.965 20 5 EFBDRO CCOC(=O)c1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000551995213 318234708 /nfs/dbraw/zinc/23/47/08/318234708.db2.gz OUNPWWLZILOQSQ-UHFFFAOYSA-N 1 0 349.412 2.903 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552974120 318266952 /nfs/dbraw/zinc/26/69/52/318266952.db2.gz OMCLWCMKQDLEFU-LBPRGKRZSA-N 1 0 333.388 2.586 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000553357646 318280493 /nfs/dbraw/zinc/28/04/93/318280493.db2.gz RROZWEZGFPVAKZ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554113789 318301513 /nfs/dbraw/zinc/30/15/13/318301513.db2.gz XKLNIDURGLVNNL-LUXYFRNMSA-N 1 0 345.443 2.887 20 5 EFBDRO CSCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N(C)C ZINC000554530230 318320971 /nfs/dbraw/zinc/32/09/71/318320971.db2.gz OJSXSVTZIBEFOD-DOMZBBRYSA-N 1 0 339.461 2.764 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1Cc2ccccc2O1)Nc1ccccc1[N+](=O)[O-] ZINC000554527541 318321009 /nfs/dbraw/zinc/32/10/09/318321009.db2.gz IYAQRSQCTBBAJE-CQSZACIVSA-N 1 0 341.367 2.517 20 5 EFBDRO CCOc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000555574077 318361860 /nfs/dbraw/zinc/36/18/60/318361860.db2.gz GUDBGDRVEBKYQL-INIZCTEOSA-N 1 0 346.383 2.523 20 5 EFBDRO CCc1ccccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000555974749 318375576 /nfs/dbraw/zinc/37/55/76/318375576.db2.gz ZRWNWKZAWHVLOL-UHFFFAOYSA-N 1 0 340.427 2.917 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000556320665 318387404 /nfs/dbraw/zinc/38/74/04/318387404.db2.gz MGOOGYJQHBYMSW-ZDUSSCGKSA-N 1 0 335.448 2.965 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)c2ccccc2)c1 ZINC000559870787 318520946 /nfs/dbraw/zinc/52/09/46/318520946.db2.gz ILUFYGZCVTXFPG-QYZOEREBSA-N 1 0 342.395 2.814 20 5 EFBDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560509094 318561046 /nfs/dbraw/zinc/56/10/46/318561046.db2.gz JVSHYXZZLYLYSK-BBRMVZONSA-N 1 0 348.374 2.694 20 5 EFBDRO CCOCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000561786635 318614390 /nfs/dbraw/zinc/61/43/90/318614390.db2.gz VXDDNSXHUHIGLV-CYBMUJFWSA-N 1 0 337.420 2.964 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000562646341 318676783 /nfs/dbraw/zinc/67/67/83/318676783.db2.gz SFBJMDMUTAIBMP-ONGXEEELSA-N 1 0 343.836 2.679 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC000563633539 318805643 /nfs/dbraw/zinc/80/56/43/318805643.db2.gz APRRBRLVOFUPMO-INIZCTEOSA-N 1 0 339.399 2.631 20 5 EFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000566542154 319087239 /nfs/dbraw/zinc/08/72/39/319087239.db2.gz DWROJTKGVVCDOB-CABCVRRESA-N 1 0 332.408 2.529 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000567179651 319146844 /nfs/dbraw/zinc/14/68/44/319146844.db2.gz NROSLARFTSWYTH-QGZVFWFLSA-N 1 0 333.432 2.590 20 5 EFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(-c3nc(CN)no3)cc2[N+](=O)[O-])C1 ZINC000567849844 319217309 /nfs/dbraw/zinc/21/73/09/319217309.db2.gz JFRSPYRWZPMVCC-PHIMTYICSA-N 1 0 331.376 2.586 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568531370 319293486 /nfs/dbraw/zinc/29/34/86/319293486.db2.gz CBVVIYBCXZAPIU-JMSVASOKSA-N 1 0 338.429 2.528 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568531372 319293563 /nfs/dbraw/zinc/29/35/63/319293563.db2.gz CBVVIYBCXZAPIU-YWPYICTPSA-N 1 0 338.429 2.528 20 5 EFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000568740925 319314146 /nfs/dbraw/zinc/31/41/46/319314146.db2.gz LVKOGLMUJLCBBR-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000568777103 319318028 /nfs/dbraw/zinc/31/80/28/319318028.db2.gz PJNGODRCYRACPV-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000568780301 319318759 /nfs/dbraw/zinc/31/87/59/319318759.db2.gz WIKLXTFATWPLRJ-CRAIPNDOSA-N 1 0 347.459 2.919 20 5 EFBDRO Cc1ccc(F)c(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873448 319326554 /nfs/dbraw/zinc/32/65/54/319326554.db2.gz YBZSQNDGLNVBQR-MRXNPFEDSA-N 1 0 348.374 2.614 20 5 EFBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000569072530 319344492 /nfs/dbraw/zinc/34/44/92/319344492.db2.gz BERNVZLFRLCVIW-PMPSAXMXSA-N 1 0 335.452 2.739 20 5 EFBDRO [NH3+]Cc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000569485447 319385700 /nfs/dbraw/zinc/38/57/00/319385700.db2.gz IGQRHWWZJCIGJA-UHFFFAOYSA-N 1 0 337.326 2.945 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000569555800 319391229 /nfs/dbraw/zinc/39/12/29/319391229.db2.gz PFVGSWORGNZOLX-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000570322254 319465013 /nfs/dbraw/zinc/46/50/13/319465013.db2.gz FSXMDUCKTVONQG-NVXWUHKLSA-N 1 0 342.395 2.654 20 5 EFBDRO Cc1cccc(OCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000570836346 319517713 /nfs/dbraw/zinc/51/77/13/319517713.db2.gz GCIXKWVQAMWQGA-UHFFFAOYSA-N 1 0 343.383 2.900 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000571082358 319540768 /nfs/dbraw/zinc/54/07/68/319540768.db2.gz NPPVYQDUEYWHPK-QFBILLFUSA-N 1 0 345.443 2.814 20 5 EFBDRO C[C@@H](CCO)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000571404243 319571357 /nfs/dbraw/zinc/57/13/57/319571357.db2.gz UQVCTACIAGZBJA-AWEZNQCLSA-N 1 0 349.431 2.702 20 5 EFBDRO C[C@H](Cc1cccc(O)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571874685 319614642 /nfs/dbraw/zinc/61/46/42/319614642.db2.gz CSYCTNDZFIELEW-CYBMUJFWSA-N 1 0 343.383 2.850 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000572422617 319668652 /nfs/dbraw/zinc/66/86/52/319668652.db2.gz DIGJCANCWDADDD-WBMJQRKESA-N 1 0 342.374 2.985 20 5 EFBDRO O=C(CC[NH2+][C@H](CO)CC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000572961091 319720846 /nfs/dbraw/zinc/72/08/46/319720846.db2.gz YIDDDBJXCJZJNX-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc2[nH]c(NCc3ccc(C)c([N+](=O)[O-])c3)[nH+]c2cc1OC ZINC000573551255 319776384 /nfs/dbraw/zinc/77/63/84/319776384.db2.gz BAIWHZPCZPOYGI-UHFFFAOYSA-N 1 0 342.355 2.831 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573833918 319803022 /nfs/dbraw/zinc/80/30/22/319803022.db2.gz CQKWYMJQPPNRBX-BXKDBHETSA-N 1 0 345.321 2.861 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000574795463 319895397 /nfs/dbraw/zinc/89/53/97/319895397.db2.gz LKQUZFZWXRKGGA-LSDHHAIUSA-N 1 0 331.416 2.643 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000575027337 319918265 /nfs/dbraw/zinc/91/82/65/319918265.db2.gz DMIAAZNDNIXVKD-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC1CC[NH+](C)CC1 ZINC000575147775 319930173 /nfs/dbraw/zinc/93/01/73/319930173.db2.gz JKZLTVWFSWJLRI-UHFFFAOYSA-N 1 0 335.404 2.834 20 5 EFBDRO C[NH+](C)Cc1ccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000575175182 319931992 /nfs/dbraw/zinc/93/19/92/319931992.db2.gz JWQJKSZFFOUHKT-MRXNPFEDSA-N 1 0 345.399 2.508 20 5 EFBDRO CCc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000575741306 319949033 /nfs/dbraw/zinc/94/90/33/319949033.db2.gz WNXQZMSNCUQVJL-CYBMUJFWSA-N 1 0 331.416 2.761 20 5 EFBDRO O=C(CC1CCCC1)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052818 319979123 /nfs/dbraw/zinc/97/91/23/319979123.db2.gz VWIMLQQOCNQBFW-MRXNPFEDSA-N 1 0 331.416 2.868 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000576340016 320006627 /nfs/dbraw/zinc/00/66/27/320006627.db2.gz SFHOBCIEGYIJRE-OWCLPIDISA-N 1 0 334.416 2.893 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000576524430 320023924 /nfs/dbraw/zinc/02/39/24/320023924.db2.gz OZNFQIOCNNIQPJ-ZBFHGGJFSA-N 1 0 331.416 2.518 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576636527 320034586 /nfs/dbraw/zinc/03/45/86/320034586.db2.gz ARDCTSCYNMLMGE-UHFFFAOYSA-N 1 0 345.852 2.845 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576908573 320059393 /nfs/dbraw/zinc/05/93/93/320059393.db2.gz WAWUASGREQDOOK-MRXNPFEDSA-N 1 0 347.415 2.500 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000577033702 320070501 /nfs/dbraw/zinc/07/05/01/320070501.db2.gz JPJWPBCTSUECFA-CYBMUJFWSA-N 1 0 344.415 2.716 20 5 EFBDRO CCC(C)(C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577351597 320101970 /nfs/dbraw/zinc/10/19/70/320101970.db2.gz VKHCURSHGPDUJG-LBPRGKRZSA-N 1 0 328.434 2.783 20 5 EFBDRO C[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000577647267 320131100 /nfs/dbraw/zinc/13/11/00/320131100.db2.gz KQANYOWVDOUROO-SGMGOOAPSA-N 1 0 335.379 2.533 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577963419 320160546 /nfs/dbraw/zinc/16/05/46/320160546.db2.gz ZCIPBBRCQFIIEN-KDOFPFPSSA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000578062567 320169573 /nfs/dbraw/zinc/16/95/73/320169573.db2.gz QXNONFMSHSONCL-CQSZACIVSA-N 1 0 333.432 2.937 20 5 EFBDRO C[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000578271134 320190049 /nfs/dbraw/zinc/19/00/49/320190049.db2.gz GHHSBFHRQZMYFS-AWEZNQCLSA-N 1 0 331.416 2.785 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000578522157 320214379 /nfs/dbraw/zinc/21/43/79/320214379.db2.gz CNTGAURREHJZPA-INIZCTEOSA-N 1 0 343.383 2.792 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000578603076 320220456 /nfs/dbraw/zinc/22/04/56/320220456.db2.gz RSKBXEYJJUDOGI-ZDUSSCGKSA-N 1 0 335.404 2.596 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000578741247 320234580 /nfs/dbraw/zinc/23/45/80/320234580.db2.gz NFECMDIENCURHY-HRCADAONSA-N 1 0 346.358 2.619 20 5 EFBDRO CC(C)CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000027110879 323212512 /nfs/dbraw/zinc/21/25/12/323212512.db2.gz MPPGHZDRRXVNKL-UHFFFAOYSA-N 1 0 349.387 2.773 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000182251006 323272645 /nfs/dbraw/zinc/27/26/45/323272645.db2.gz XPKOZHXVEQHYQP-GXTWGEPZSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000182281472 323274241 /nfs/dbraw/zinc/27/42/41/323274241.db2.gz RCRCGOYTIZJTHW-XJKSGUPXSA-N 1 0 335.404 2.779 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000182331198 323276966 /nfs/dbraw/zinc/27/69/66/323276966.db2.gz IGVUYDVNNPOHMI-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000182683131 323296219 /nfs/dbraw/zinc/29/62/19/323296219.db2.gz MBISNTDKHFYTKW-LLVKDONJSA-N 1 0 349.387 2.820 20 5 EFBDRO C[S@](=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183069172 323314575 /nfs/dbraw/zinc/31/45/75/323314575.db2.gz MQPSDGHIDVHZCQ-XDHUDOTRSA-N 1 0 348.424 2.683 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000184769240 323373724 /nfs/dbraw/zinc/37/37/24/323373724.db2.gz BHZLTJVNSCYQMA-HZPDHXFCSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184765877 323373950 /nfs/dbraw/zinc/37/39/50/323373950.db2.gz BAJHTSZVRKXUPX-LBPRGKRZSA-N 1 0 337.395 2.826 20 5 EFBDRO C[C@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185008222 323379855 /nfs/dbraw/zinc/37/98/55/323379855.db2.gz UKTXTWSGXRQTFB-ZDUSSCGKSA-N 1 0 337.395 2.686 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185376688 323389578 /nfs/dbraw/zinc/38/95/78/323389578.db2.gz CZPRXXRAJSWTDN-JSGCOSHPSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185376673 323389902 /nfs/dbraw/zinc/38/99/02/323389902.db2.gz CZPRXXRAJSWTDN-GXTWGEPZSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185379129 323389975 /nfs/dbraw/zinc/38/99/75/323389975.db2.gz ROQDUCLXHVPRDK-QWHCGFSZSA-N 1 0 337.395 2.638 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000296530077 323544242 /nfs/dbraw/zinc/54/42/42/323544242.db2.gz POJJSDVOGCSWLN-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296529942 323544567 /nfs/dbraw/zinc/54/45/67/323544567.db2.gz CXQFYWRWVHJKBF-HNNXBMFYSA-N 1 0 341.411 2.913 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296771376 323615890 /nfs/dbraw/zinc/61/58/90/323615890.db2.gz LKPZQNYBBNVOHF-IINYFYTJSA-N 1 0 325.796 2.772 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296864136 323656633 /nfs/dbraw/zinc/65/66/33/323656633.db2.gz UJLPHWKEXXICIA-OAHLLOKOSA-N 1 0 347.415 2.500 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2O)Nc1ccccc1[N+](=O)[O-] ZINC000296863592 323656872 /nfs/dbraw/zinc/65/68/72/323656872.db2.gz UGGVAVXNAOFMLA-AWEZNQCLSA-N 1 0 341.367 2.906 20 5 EFBDRO COc1ccc(OCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578972484 323852007 /nfs/dbraw/zinc/85/20/07/323852007.db2.gz WDSJXIGSKDHKFX-CVEARBPZSA-N 1 0 349.431 2.589 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000579701986 324013886 /nfs/dbraw/zinc/01/38/86/324013886.db2.gz LQWXHOCILPIJGI-OCCSQVGLSA-N 1 0 344.358 2.750 20 5 EFBDRO O=C(CC[NH2+]CCCOc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000580184754 324114862 /nfs/dbraw/zinc/11/48/62/324114862.db2.gz SHIMUFOBXFABPU-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000580590460 324195234 /nfs/dbraw/zinc/19/52/34/324195234.db2.gz CEQKXEUGQCQQES-MGPQQGTHSA-N 1 0 335.404 2.574 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000581200519 324328234 /nfs/dbraw/zinc/32/82/34/324328234.db2.gz QTNHRLDZGWNOFK-YOEHRIQHSA-N 1 0 330.359 2.914 20 5 EFBDRO Cn1cc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000581407879 324369101 /nfs/dbraw/zinc/36/91/01/324369101.db2.gz NTYMSYOOKZVGRV-HNNXBMFYSA-N 1 0 344.415 2.833 20 5 EFBDRO Cc1ccc(NCCC[NH2+]C[C@@](C)(O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000581603439 324417399 /nfs/dbraw/zinc/41/73/99/324417399.db2.gz XGBFYKPVBPOFIX-CYBMUJFWSA-N 1 0 335.326 2.608 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000582070536 324513819 /nfs/dbraw/zinc/51/38/19/324513819.db2.gz NWKHBNAFMOWVCV-UHFFFAOYSA-N 1 0 344.415 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000582176042 324537499 /nfs/dbraw/zinc/53/74/99/324537499.db2.gz WYGYPNRLDSAKKO-MRXNPFEDSA-N 1 0 343.383 2.700 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582840405 324681572 /nfs/dbraw/zinc/68/15/72/324681572.db2.gz VZOHXJCNQVWAIO-KXBFYZLASA-N 1 0 342.395 2.920 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](CC4CC4)CC3)c21 ZINC000583525771 324826508 /nfs/dbraw/zinc/82/65/08/324826508.db2.gz CGZKTDYACLJVFL-UHFFFAOYSA-N 1 0 327.388 2.824 20 5 EFBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081520795 473212897 /nfs/dbraw/zinc/21/28/97/473212897.db2.gz KJFLEAOOPGFYBJ-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139247505 473229128 /nfs/dbraw/zinc/22/91/28/473229128.db2.gz RYTOIXJQLLMMFY-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161396405 473232988 /nfs/dbraw/zinc/23/29/88/473232988.db2.gz FCVWAJVPVPZMSI-CQSZACIVSA-N 1 0 327.388 2.512 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1[N+](=O)[O-] ZINC000095982158 473241965 /nfs/dbraw/zinc/24/19/65/473241965.db2.gz XKQQNPDYCCUQJA-SMDDNHRTSA-N 1 0 345.403 2.559 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000141143852 473251683 /nfs/dbraw/zinc/25/16/83/473251683.db2.gz ARPKRWSKVPMWBA-UHFFFAOYSA-N 1 0 347.444 2.663 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000112310050 473255182 /nfs/dbraw/zinc/25/51/82/473255182.db2.gz PCKUNLGSZXBKBQ-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1C ZINC000190406867 473262464 /nfs/dbraw/zinc/26/24/64/473262464.db2.gz VGWHEJUDWZZSKG-CYBMUJFWSA-N 1 0 349.431 2.762 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000124599840 473270259 /nfs/dbraw/zinc/27/02/59/473270259.db2.gz RMCVNOKOLMJWEP-RDTXWAMCSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486954893 468015151 /nfs/dbraw/zinc/01/51/51/468015151.db2.gz JWZRQNLBEUJDRS-GFCCVEGCSA-N 1 0 331.376 2.931 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000162001428 473292027 /nfs/dbraw/zinc/29/20/27/473292027.db2.gz KTTNBPMTSKSGIA-AWEZNQCLSA-N 1 0 327.812 2.623 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000162022599 473295074 /nfs/dbraw/zinc/29/50/74/473295074.db2.gz NTKFTAVOQNKZAJ-UONOGXRCSA-N 1 0 345.399 2.803 20 5 EFBDRO CSc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000162044124 473299486 /nfs/dbraw/zinc/29/94/86/473299486.db2.gz MILMDNSZLFXSCE-LBPRGKRZSA-N 1 0 325.434 2.762 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000177062713 473299606 /nfs/dbraw/zinc/29/96/06/473299606.db2.gz NTQXTXSADLBQSS-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000185025104 473304843 /nfs/dbraw/zinc/30/48/43/473304843.db2.gz GOIRZPLRVAKOSR-DCGLDWPTSA-N 1 0 349.406 2.780 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000162133111 473307135 /nfs/dbraw/zinc/30/71/35/473307135.db2.gz ICRCIGKKRXXYDJ-RYUDHWBXSA-N 1 0 346.412 2.718 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000177123772 473311741 /nfs/dbraw/zinc/31/17/41/473311741.db2.gz XCBLJMQRKMZXMY-CYBMUJFWSA-N 1 0 330.388 2.654 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177134476 473313238 /nfs/dbraw/zinc/31/32/38/473313238.db2.gz OWEORFDEALYLPJ-PWSUYJOCSA-N 1 0 335.429 2.672 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000162244392 473320240 /nfs/dbraw/zinc/32/02/40/473320240.db2.gz MSKFXQFRAZKIMV-UHFFFAOYSA-N 1 0 334.332 2.664 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162259549 473322263 /nfs/dbraw/zinc/32/22/63/473322263.db2.gz NUWRHZSXVPYYMR-GWCFXTLKSA-N 1 0 343.811 2.572 20 5 EFBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000185087707 473324289 /nfs/dbraw/zinc/32/42/89/473324289.db2.gz LVSHNRXXSQYADL-BIMULSAOSA-N 1 0 331.397 2.619 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177186437 473326749 /nfs/dbraw/zinc/32/67/49/473326749.db2.gz LXQZNFCZYIJVNF-RISCZKNCSA-N 1 0 344.415 2.524 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112918597 473331810 /nfs/dbraw/zinc/33/18/10/473331810.db2.gz JGRNIPDFJJGCPR-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112988321 473342042 /nfs/dbraw/zinc/34/20/42/473342042.db2.gz LGIOXYLKGGNFJX-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO COc1ccc([C@H](CO)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000112995836 473344219 /nfs/dbraw/zinc/34/42/19/473344219.db2.gz YFJHDEPZPRLTMX-KRWDZBQOSA-N 1 0 346.383 2.648 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125070430 473351437 /nfs/dbraw/zinc/35/14/37/473351437.db2.gz DNJSBOYHFIEARY-BDJLRTHQSA-N 1 0 332.360 2.553 20 5 EFBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000162527522 473352920 /nfs/dbraw/zinc/35/29/20/473352920.db2.gz MUCIMNRNUVYACT-UHFFFAOYSA-N 1 0 336.436 2.565 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185184757 473355312 /nfs/dbraw/zinc/35/53/12/473355312.db2.gz KZSKEYDOUYRCIO-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000150800066 473357047 /nfs/dbraw/zinc/35/70/47/473357047.db2.gz IVYOGHCDSQZZKJ-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000619723170 479866246 /nfs/dbraw/zinc/86/62/46/479866246.db2.gz TVRBKSOGKYBSCU-HNNXBMFYSA-N 1 0 347.415 2.781 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)C(C)(C)C ZINC000185196874 473359395 /nfs/dbraw/zinc/35/93/95/473359395.db2.gz SSBADHXFNFMQAJ-IUODEOHRSA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150829583 473363099 /nfs/dbraw/zinc/36/30/99/473363099.db2.gz XGKIDGYCKSPIMB-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000150849800 473367208 /nfs/dbraw/zinc/36/72/08/473367208.db2.gz KONJBAWGRJFSEN-UKRRQHHQSA-N 1 0 336.436 2.847 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000150849770 473366891 /nfs/dbraw/zinc/36/68/91/473366891.db2.gz KONJBAWGRJFSEN-HIFRSBDPSA-N 1 0 336.436 2.847 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000162766963 473380775 /nfs/dbraw/zinc/38/07/75/473380775.db2.gz IUSBRJWDSFDUDQ-SNVBAGLBSA-N 1 0 341.433 2.573 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162791089 473383830 /nfs/dbraw/zinc/38/38/30/473383830.db2.gz ZIEKJFDSHZWZNK-UONOGXRCSA-N 1 0 333.432 2.682 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000185304583 473390269 /nfs/dbraw/zinc/39/02/69/473390269.db2.gz XOWTYORZNITUPS-HNNXBMFYSA-N 1 0 343.383 2.828 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000125304757 473390880 /nfs/dbraw/zinc/39/08/80/473390880.db2.gz NVFFJICULGKUOK-CRAIPNDOSA-N 1 0 343.427 2.879 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162860909 473391931 /nfs/dbraw/zinc/39/19/31/473391931.db2.gz OYAXQYMQYRRDJA-LBPRGKRZSA-N 1 0 348.428 2.966 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000616312351 479876894 /nfs/dbraw/zinc/87/68/94/479876894.db2.gz QLKRPOKVTUAGOM-HNNXBMFYSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000616312352 479877340 /nfs/dbraw/zinc/87/73/40/479877340.db2.gz QLKRPOKVTUAGOM-OAHLLOKOSA-N 1 0 334.420 2.575 20 5 EFBDRO CC(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000355415379 475916583 /nfs/dbraw/zinc/91/65/83/475916583.db2.gz BWGXLPBEZPLDHF-UHFFFAOYSA-N 1 0 340.445 2.775 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000346953999 475986239 /nfs/dbraw/zinc/98/62/39/475986239.db2.gz MZERYEFBMOZZKK-GUTXKFCHSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452042865 476792709 /nfs/dbraw/zinc/79/27/09/476792709.db2.gz GENHEMMYUJQZKQ-LAIHZFQQSA-N 1 0 346.427 2.703 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452115881 476834486 /nfs/dbraw/zinc/83/44/86/476834486.db2.gz LBGINCWOCMGWLY-ZBFHGGJFSA-N 1 0 347.415 2.589 20 5 EFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592154759 478800441 /nfs/dbraw/zinc/80/04/41/478800441.db2.gz JFHITMBQUOJNKM-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155897 478800932 /nfs/dbraw/zinc/80/09/32/478800932.db2.gz TXFKVENEENQCDR-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480072 478811458 /nfs/dbraw/zinc/81/14/58/478811458.db2.gz IEDLDUDTQDKNTR-GXTWGEPZSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595480074 478811503 /nfs/dbraw/zinc/81/15/03/478811503.db2.gz IEDLDUDTQDKNTR-OCCSQVGLSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000601596781 478898043 /nfs/dbraw/zinc/89/80/43/478898043.db2.gz SSPILXNGTTVEIH-GFCCVEGCSA-N 1 0 335.379 2.680 20 5 EFBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000601596782 478898483 /nfs/dbraw/zinc/89/84/83/478898483.db2.gz SSPILXNGTTVEIH-LBPRGKRZSA-N 1 0 335.379 2.680 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000602639089 479440699 /nfs/dbraw/zinc/44/06/99/479440699.db2.gz ZTIFIHPZTSTCSV-UVBJJODRSA-N 1 0 328.372 2.518 20 5 EFBDRO COc1cccc(OC)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602638712 479440857 /nfs/dbraw/zinc/44/08/57/479440857.db2.gz GGICYPFCRNZKQF-UHFFFAOYSA-N 1 0 346.387 2.646 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(C(F)F)CC3)CC2)cn1 ZINC000602643916 479444342 /nfs/dbraw/zinc/44/43/42/479444342.db2.gz OTWCWPMQXWMDMG-UHFFFAOYSA-N 1 0 326.347 2.594 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362980 479889262 /nfs/dbraw/zinc/88/92/62/479889262.db2.gz MROCXCDJZRNSQM-VHRBIJSZSA-N 1 0 332.322 2.819 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868383 479897978 /nfs/dbraw/zinc/89/79/78/479897978.db2.gz BFAOQBRWCUIKDV-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000613235600 479931312 /nfs/dbraw/zinc/93/13/12/479931312.db2.gz FTKKMDXPPXPAPN-HOCLYGCPSA-N 1 0 333.432 2.716 20 5 EFBDRO C[N@@H+]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000008178095 471669638 /nfs/dbraw/zinc/66/96/38/471669638.db2.gz HZJCMOULNKPRFO-UHFFFAOYSA-N 1 0 339.395 2.968 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008307237 471678444 /nfs/dbraw/zinc/67/84/44/471678444.db2.gz IWZHPWODDGRRFR-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000009982454 471725306 /nfs/dbraw/zinc/72/53/06/471725306.db2.gz DHOMBMATUSKSCQ-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010017893 471726472 /nfs/dbraw/zinc/72/64/72/471726472.db2.gz WZKLTJFGZBITMP-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000016444655 471936662 /nfs/dbraw/zinc/93/66/62/471936662.db2.gz DTEWIWLFKRGZRZ-INIZCTEOSA-N 1 0 325.368 2.599 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067004157 471980965 /nfs/dbraw/zinc/98/09/65/471980965.db2.gz KJDOXHVMCRKEPH-CQSZACIVSA-N 1 0 334.420 2.659 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000053403885 472004619 /nfs/dbraw/zinc/00/46/19/472004619.db2.gz MAUSYYQBTRSAQI-CQSZACIVSA-N 1 0 349.431 2.600 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000067203667 472005145 /nfs/dbraw/zinc/00/51/45/472005145.db2.gz HFGZREVBJYFSQP-MRXNPFEDSA-N 1 0 339.395 2.657 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067269094 472012848 /nfs/dbraw/zinc/01/28/48/472012848.db2.gz YQMMHHSSOWVAIE-GOSISDBHSA-N 1 0 341.411 2.865 20 5 EFBDRO CNC(=O)c1ccc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000053552289 472018570 /nfs/dbraw/zinc/01/85/70/472018570.db2.gz SFAYSARRHOQOGH-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CNC(=O)c1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000053552293 472018828 /nfs/dbraw/zinc/01/88/28/472018828.db2.gz SFAYSARRHOQOGH-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067384797 472027289 /nfs/dbraw/zinc/02/72/89/472027289.db2.gz JXGMFBZJDNTMQX-HNNXBMFYSA-N 1 0 329.404 2.652 20 5 EFBDRO CC[NH+](CC)CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713355 472040255 /nfs/dbraw/zinc/04/02/55/472040255.db2.gz WRVPUEQOXAKACR-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000024204674 472048998 /nfs/dbraw/zinc/04/89/98/472048998.db2.gz HWEJJRLHAWMTSF-AWEZNQCLSA-N 1 0 336.436 2.862 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000024367729 472053217 /nfs/dbraw/zinc/05/32/17/472053217.db2.gz JRBQXAGCXFXYDM-KRWDZBQOSA-N 1 0 342.399 2.889 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000054125211 472060603 /nfs/dbraw/zinc/06/06/03/472060603.db2.gz GKTURGIJIFYYQR-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000067679477 472069554 /nfs/dbraw/zinc/06/95/54/472069554.db2.gz DQTZLZDICSWGCX-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067682984 472071109 /nfs/dbraw/zinc/07/11/09/472071109.db2.gz GLHWPSQTVQFUMM-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067706322 472076014 /nfs/dbraw/zinc/07/60/14/472076014.db2.gz IOBCXVRVOLEUGG-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067724669 472079059 /nfs/dbraw/zinc/07/90/59/472079059.db2.gz UXTRHTXYHAOYHP-GASCZTMLSA-N 1 0 348.447 2.762 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000041676934 472079441 /nfs/dbraw/zinc/07/94/41/472079441.db2.gz KUNHDHJEIAGWOO-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067725814 472079562 /nfs/dbraw/zinc/07/95/62/472079562.db2.gz IQWVYGMQSSJWSC-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000067725299 472079594 /nfs/dbraw/zinc/07/95/94/472079594.db2.gz JDGBOQLXAQSVBL-QGZVFWFLSA-N 1 0 342.399 2.697 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000067725294 472079679 /nfs/dbraw/zinc/07/96/79/472079679.db2.gz JDGBOQLXAQSVBL-KRWDZBQOSA-N 1 0 342.399 2.697 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000067724763 472080029 /nfs/dbraw/zinc/08/00/29/472080029.db2.gz ACMDWBMASIATQS-OAHLLOKOSA-N 1 0 348.428 2.758 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000054374044 472082780 /nfs/dbraw/zinc/08/27/80/472082780.db2.gz AJSTVHNTJDVSFD-INIZCTEOSA-N 1 0 330.388 2.736 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000067785214 472089156 /nfs/dbraw/zinc/08/91/56/472089156.db2.gz WCFYDXLYTDLUMF-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000054511140 472093603 /nfs/dbraw/zinc/09/36/03/472093603.db2.gz FBDWPODDJCRSMA-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645392 472104643 /nfs/dbraw/zinc/10/46/43/472104643.db2.gz XXGJRCVMGFXQAN-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000054644077 472104815 /nfs/dbraw/zinc/10/48/15/472104815.db2.gz XYWNTDGKFUODLO-OAHLLOKOSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025633162 472105235 /nfs/dbraw/zinc/10/52/35/472105235.db2.gz SCDCISIVEMYOSA-AWEZNQCLSA-N 1 0 339.395 2.771 20 5 EFBDRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025638519 472106146 /nfs/dbraw/zinc/10/61/46/472106146.db2.gz KWXHOFNQORECTQ-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054804770 472116636 /nfs/dbraw/zinc/11/66/36/472116636.db2.gz GBJFARYTTOXGIS-CQSZACIVSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCOCC1 ZINC000026143761 472124347 /nfs/dbraw/zinc/12/43/47/472124347.db2.gz VAAPAFNLKBDXOW-SFHVURJKSA-N 1 0 344.415 2.912 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026161097 472125646 /nfs/dbraw/zinc/12/56/46/472125646.db2.gz LXRZNIIIXZFFTD-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO C[NH+](C)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042390188 472135771 /nfs/dbraw/zinc/13/57/71/472135771.db2.gz GTUAGSCZJASFHZ-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132615 472139028 /nfs/dbraw/zinc/13/90/28/472139028.db2.gz CNFXWWMVPQXMIL-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134708 472140183 /nfs/dbraw/zinc/14/01/83/472140183.db2.gz UHJQXQRVKLUEAD-MRXNPFEDSA-N 1 0 331.416 2.614 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068178154 472145117 /nfs/dbraw/zinc/14/51/17/472145117.db2.gz QDHVIOHASXWXON-UHFFFAOYSA-N 1 0 344.415 2.539 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075502515 472146693 /nfs/dbraw/zinc/14/66/93/472146693.db2.gz DCPYOEGBYOLZRH-CQSZACIVSA-N 1 0 332.404 2.935 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000042626985 472152425 /nfs/dbraw/zinc/15/24/25/472152425.db2.gz HQIKAGHFDVKPHB-VQIMIIECSA-N 1 0 342.395 2.954 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000084250257 472160083 /nfs/dbraw/zinc/16/00/83/472160083.db2.gz XMTPUMNASMKKCW-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000027317970 472170604 /nfs/dbraw/zinc/17/06/04/472170604.db2.gz QKMSCOPLDILQHZ-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055406852 472181534 /nfs/dbraw/zinc/18/15/34/472181534.db2.gz SRRKZSQMPHCHBW-HUUCEWRRSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000075739305 472191017 /nfs/dbraw/zinc/19/10/17/472191017.db2.gz KDAYITYLYVDKCE-HZPDHXFCSA-N 1 0 333.432 2.700 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000075739303 472191055 /nfs/dbraw/zinc/19/10/55/472191055.db2.gz KDAYITYLYVDKCE-JKSUJKDBSA-N 1 0 333.432 2.700 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000068443012 472193124 /nfs/dbraw/zinc/19/31/24/472193124.db2.gz STJVXEDFQVTQKU-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000027752975 472193578 /nfs/dbraw/zinc/19/35/78/472193578.db2.gz KWYFEWKTAPXPRT-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068449823 472194255 /nfs/dbraw/zinc/19/42/55/472194255.db2.gz UCVJXSKZWZYXAP-RMKNXTFCSA-N 1 0 331.416 2.989 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835837 472203734 /nfs/dbraw/zinc/20/37/34/472203734.db2.gz XAAWECVKULJYJI-HNNXBMFYSA-N 1 0 333.432 2.911 20 5 EFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000043331561 472224031 /nfs/dbraw/zinc/22/40/31/472224031.db2.gz RZVUGRDAGRRKCX-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342988 472224807 /nfs/dbraw/zinc/22/48/07/472224807.db2.gz FHAUPLPNALAHMY-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075956265 472227173 /nfs/dbraw/zinc/22/71/73/472227173.db2.gz YYXKYCRBNUVJCN-NSHDSACASA-N 1 0 326.784 2.806 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075996461 472235255 /nfs/dbraw/zinc/23/52/55/472235255.db2.gz GSCUGPWUHFRPKO-CYBMUJFWSA-N 1 0 348.321 2.609 20 5 EFBDRO Cc1cccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000055757874 472235979 /nfs/dbraw/zinc/23/59/79/472235979.db2.gz AZBUBJQNVDVZBR-VNHYZAJKSA-N 1 0 333.432 2.999 20 5 EFBDRO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055897503 472253155 /nfs/dbraw/zinc/25/31/55/472253155.db2.gz TYWRZTDXPLECSM-AWEZNQCLSA-N 1 0 336.388 2.639 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000055901372 472254038 /nfs/dbraw/zinc/25/40/38/472254038.db2.gz FYXSAJKBNUFMHF-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076057451 472254846 /nfs/dbraw/zinc/25/48/46/472254846.db2.gz VHDVXADTMFURMY-HNNXBMFYSA-N 1 0 345.403 2.561 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000616783071 479975798 /nfs/dbraw/zinc/97/57/98/479975798.db2.gz QFHDDQYJLHONCX-CQSZACIVSA-N 1 0 335.404 2.514 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029279037 472264602 /nfs/dbraw/zinc/26/46/02/472264602.db2.gz AJCXLGYSMAGRTP-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000029585352 472282470 /nfs/dbraw/zinc/28/24/70/472282470.db2.gz MTTFTSRWMWVLNU-UHFFFAOYSA-N 1 0 326.400 2.829 20 5 EFBDRO C[C@H](C1CC1)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000029726173 472292180 /nfs/dbraw/zinc/29/21/80/472292180.db2.gz DBNDCBLUMLXKJM-GFCCVEGCSA-N 1 0 329.400 2.747 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044311492 472297235 /nfs/dbraw/zinc/29/72/35/472297235.db2.gz JOUFRPAIZDHVSJ-SNVBAGLBSA-N 1 0 325.415 2.751 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000069139405 472298341 /nfs/dbraw/zinc/29/83/41/472298341.db2.gz UAEKZENALICJKD-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000069143179 472298469 /nfs/dbraw/zinc/29/84/69/472298469.db2.gz WSCVRKOISXEUSZ-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087102219 472306311 /nfs/dbraw/zinc/30/63/11/472306311.db2.gz ZROGUAYVDGMVFI-QGZVFWFLSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000087112896 472307570 /nfs/dbraw/zinc/30/75/70/472307570.db2.gz SEDKTOCUFMVBPQ-CABCVRRESA-N 1 0 333.432 2.764 20 5 EFBDRO CCn1ccc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000616786277 479976709 /nfs/dbraw/zinc/97/67/09/479976709.db2.gz RXIMFIVTKOQXFG-UHFFFAOYSA-N 1 0 333.388 2.936 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000087204600 472315439 /nfs/dbraw/zinc/31/54/39/472315439.db2.gz UAFKJAPAUHQTGK-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000056715960 472346989 /nfs/dbraw/zinc/34/69/89/472346989.db2.gz SZXKAQNCJFAXKI-ZDUSSCGKSA-N 1 0 337.395 2.976 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056788695 472352842 /nfs/dbraw/zinc/35/28/42/472352842.db2.gz FTIKXTKHZQZMRQ-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)c1 ZINC000044937998 472354732 /nfs/dbraw/zinc/35/47/32/472354732.db2.gz UGJAWNNDHPHDHA-LBPRGKRZSA-N 1 0 344.371 2.646 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000069499839 472357740 /nfs/dbraw/zinc/35/77/40/472357740.db2.gz QPYAKVXNPBRVEI-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC000088605337 472377810 /nfs/dbraw/zinc/37/78/10/472377810.db2.gz REQNTKZPGFECJH-UHFFFAOYSA-N 1 0 325.368 2.982 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057039938 472377951 /nfs/dbraw/zinc/37/79/51/472377951.db2.gz IXBLMCOOBORJAA-OAHLLOKOSA-N 1 0 348.447 2.858 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000613389131 479984313 /nfs/dbraw/zinc/98/43/13/479984313.db2.gz JDYLYICSUWGGPL-KSSFIOAISA-N 1 0 330.384 2.728 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000031726023 472390832 /nfs/dbraw/zinc/39/08/32/472390832.db2.gz FKCHIBNAAHGPBY-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000057177628 472391460 /nfs/dbraw/zinc/39/14/60/472391460.db2.gz KULNBCBVAIZBBY-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000057254998 472404838 /nfs/dbraw/zinc/40/48/38/472404838.db2.gz SVSMSNUSEZLYJM-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116425198 472406291 /nfs/dbraw/zinc/40/62/91/472406291.db2.gz YXYGYCQTGOIZCG-HNNXBMFYSA-N 1 0 336.436 2.760 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000057288195 472409943 /nfs/dbraw/zinc/40/99/43/472409943.db2.gz CQGZPGRMYXWQTJ-MRXNPFEDSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000154303733 472413699 /nfs/dbraw/zinc/41/36/99/472413699.db2.gz ZSXJUQLEZLRVLB-CQSZACIVSA-N 1 0 334.420 2.539 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCO1 ZINC000128414410 472447567 /nfs/dbraw/zinc/44/75/67/472447567.db2.gz RLTIQBKVMCIVBS-ZDUSSCGKSA-N 1 0 339.367 2.563 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000154616795 472451005 /nfs/dbraw/zinc/45/10/05/472451005.db2.gz KCPLEYYYMCYQNV-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512229 472453377 /nfs/dbraw/zinc/45/33/77/472453377.db2.gz SIGFEPNRMKSLJF-JTQLQIEISA-N 1 0 339.193 2.732 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032732676 472459023 /nfs/dbraw/zinc/45/90/23/472459023.db2.gz IYKYBGTZMXCUKQ-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545410 472459009 /nfs/dbraw/zinc/45/90/09/472459009.db2.gz MRMNBWLTOVLTEM-CYBMUJFWSA-N 1 0 327.384 2.895 20 5 EFBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000069911621 472463713 /nfs/dbraw/zinc/46/37/13/472463713.db2.gz NFQUKVOIUHKELF-MRXNPFEDSA-N 1 0 336.413 2.810 20 5 EFBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000069911647 472464272 /nfs/dbraw/zinc/46/42/72/472464272.db2.gz PXDAYZRTIUUDDN-MRXNPFEDSA-N 1 0 336.413 2.810 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000077211537 472474493 /nfs/dbraw/zinc/47/44/93/472474493.db2.gz FZPFVCSNZKKRIV-AWEZNQCLSA-N 1 0 336.413 2.836 20 5 EFBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838281 472482047 /nfs/dbraw/zinc/48/20/47/472482047.db2.gz ZDKNTNGARXMLCS-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128671645 472482439 /nfs/dbraw/zinc/48/24/39/472482439.db2.gz SYLIHKHDKAIUQF-MNOVXSKESA-N 1 0 341.408 2.888 20 5 EFBDRO C[C@H](CNc1ccc(I)cc1[N+](=O)[O-])[NH+](C)C ZINC000097347014 472490867 /nfs/dbraw/zinc/49/08/67/472490867.db2.gz RXKMQYXBGJDFGM-MRVPVSSYSA-N 1 0 349.172 2.561 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000046027053 472497167 /nfs/dbraw/zinc/49/71/67/472497167.db2.gz JNSRJJSYGKNWBC-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO Cc1c(Br)c(NCC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000097934351 472509893 /nfs/dbraw/zinc/50/98/93/472509893.db2.gz IQKBEZDAMCWXCT-UHFFFAOYSA-N 1 0 343.225 2.957 20 5 EFBDRO C[N@H+](CCCc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046087326 472510782 /nfs/dbraw/zinc/51/07/82/472510782.db2.gz DLJHEEDMBRBEOD-GOSISDBHSA-N 1 0 344.411 2.899 20 5 EFBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCC1 ZINC000155141617 472513401 /nfs/dbraw/zinc/51/34/01/472513401.db2.gz ZJILKVUVMFUEKM-UHFFFAOYSA-N 1 0 349.431 2.648 20 5 EFBDRO CC(C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155163133 472515431 /nfs/dbraw/zinc/51/54/31/472515431.db2.gz AGWJHCOJKJSESM-UHFFFAOYSA-N 1 0 337.395 2.909 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000077378644 472515881 /nfs/dbraw/zinc/51/58/81/472515881.db2.gz DWJJLIVXPDGVGR-UHFFFAOYSA-N 1 0 341.367 2.821 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000058263201 472527622 /nfs/dbraw/zinc/52/76/22/472527622.db2.gz FAGGPAFABXIQOF-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000155310814 472531236 /nfs/dbraw/zinc/53/12/36/472531236.db2.gz NBXAWVQFHOUPCM-VQOXYXNASA-N 1 0 335.379 2.592 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058272757 472531873 /nfs/dbraw/zinc/53/18/73/472531873.db2.gz UVTQDGSARKEZBU-IZPAUZPXSA-N 1 0 349.406 2.984 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000058275855 472532163 /nfs/dbraw/zinc/53/21/63/472532163.db2.gz BZFVFRGGNUYUEY-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](CC4CC4)CC3)co2)cc1 ZINC000089886280 472534227 /nfs/dbraw/zinc/53/42/27/472534227.db2.gz WHFQMHAKEBUKKO-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027848 472534954 /nfs/dbraw/zinc/53/49/54/472534954.db2.gz GAWAMMGZTNLNOC-SNAWJCMRSA-N 1 0 335.323 2.827 20 5 EFBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000077506263 472542275 /nfs/dbraw/zinc/54/22/75/472542275.db2.gz CZLBOZVLGUAPSY-UHFFFAOYSA-N 1 0 332.356 2.781 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077510048 472542595 /nfs/dbraw/zinc/54/25/95/472542595.db2.gz NKOSDZXBFDONKP-HNNXBMFYSA-N 1 0 343.358 2.738 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000101586874 472543350 /nfs/dbraw/zinc/54/33/50/472543350.db2.gz HVJCQAQAXKXFEB-UHFFFAOYSA-N 1 0 329.356 2.722 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077542699 472550979 /nfs/dbraw/zinc/55/09/79/472550979.db2.gz KYVQEDZVHPRQKO-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155500328 472558586 /nfs/dbraw/zinc/55/85/86/472558586.db2.gz XKQUWNHUKMJPJF-GFCCVEGCSA-N 1 0 348.428 2.822 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155500194 472558685 /nfs/dbraw/zinc/55/86/85/472558685.db2.gz XKQUWNHUKMJPJF-LBPRGKRZSA-N 1 0 348.428 2.822 20 5 EFBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO[C@H]1C1CC1 ZINC000613426169 479995651 /nfs/dbraw/zinc/99/56/51/479995651.db2.gz SVQOHEZTRKRCBV-ZWKOTPCHSA-N 1 0 348.399 2.661 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO[C@@H]1C1CC1 ZINC000613426149 479995663 /nfs/dbraw/zinc/99/56/63/479995663.db2.gz SVQOHEZTRKRCBV-MSOLQXFVSA-N 1 0 348.399 2.661 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000101996754 472560940 /nfs/dbraw/zinc/56/09/40/472560940.db2.gz OXXKJGBQDGKRTN-RBSFLKMASA-N 1 0 348.447 2.760 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000119511117 472561558 /nfs/dbraw/zinc/56/15/58/472561558.db2.gz BFXAIHAKLBCPAY-MOEXGYKKSA-N 1 0 331.416 2.702 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119524255 472563140 /nfs/dbraw/zinc/56/31/40/472563140.db2.gz RXYHSLGOUOZRCY-GFCCVEGCSA-N 1 0 335.795 2.752 20 5 EFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000155533783 472563435 /nfs/dbraw/zinc/56/34/35/472563435.db2.gz MDDCFZQMDFFDMM-UHFFFAOYSA-N 1 0 337.420 2.504 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000089969495 472564927 /nfs/dbraw/zinc/56/49/27/472564927.db2.gz ORCHEZRAFREKCU-UHFFFAOYSA-N 1 0 348.321 2.753 20 5 EFBDRO CC[N@H+](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102425136 472577295 /nfs/dbraw/zinc/57/72/95/472577295.db2.gz JLEFAIUEZQWMCP-UHFFFAOYSA-N 1 0 333.388 2.905 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000058575214 472583809 /nfs/dbraw/zinc/58/38/09/472583809.db2.gz MMHLLRQEBQAALT-MRXNPFEDSA-N 1 0 344.367 2.745 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668724 472592001 /nfs/dbraw/zinc/59/20/01/472592001.db2.gz VIKFPIXMPRQGOI-CRAIPNDOSA-N 1 0 334.464 2.662 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000058891398 472610733 /nfs/dbraw/zinc/61/07/33/472610733.db2.gz RAWBYLONCZZGGR-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155794782 472616511 /nfs/dbraw/zinc/61/65/11/472616511.db2.gz KTRWCFHNSIDPAA-OAHLLOKOSA-N 1 0 349.406 2.753 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000120040366 472619806 /nfs/dbraw/zinc/61/98/06/472619806.db2.gz XNXQXUXIBVKWKX-CQSZACIVSA-N 1 0 330.388 2.690 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000090447462 472620670 /nfs/dbraw/zinc/62/06/70/472620670.db2.gz QXYGVFNBNSTUMR-DJIMGWMZSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000155814727 472621127 /nfs/dbraw/zinc/62/11/27/472621127.db2.gz BPECKVZBIKQZGS-OLZOCXBDSA-N 1 0 338.371 2.982 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059352648 472625170 /nfs/dbraw/zinc/62/51/70/472625170.db2.gz PXKOMDNCQUBOSX-UHFFFAOYSA-N 1 0 335.448 2.964 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000090511612 472627927 /nfs/dbraw/zinc/62/79/27/472627927.db2.gz GEGFSLYJBXZPPH-INIZCTEOSA-N 1 0 331.347 2.733 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000090538942 472631313 /nfs/dbraw/zinc/63/13/13/472631313.db2.gz XELVLZQPTMQKQU-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO CNC(=O)C(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120108486 472631615 /nfs/dbraw/zinc/63/16/15/472631615.db2.gz OTHZNPWPHKUDAU-UHFFFAOYSA-N 1 0 348.428 2.580 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000090537775 472632169 /nfs/dbraw/zinc/63/21/69/472632169.db2.gz FMSLCGIEKJRZDY-QMMMGPOBSA-N 1 0 345.222 2.966 20 5 EFBDRO COc1ccccc1C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090537924 472632358 /nfs/dbraw/zinc/63/23/58/472632358.db2.gz VNIKRQPYAUROJR-MRXNPFEDSA-N 1 0 332.404 2.657 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1cccc(O)c1 ZINC000090551807 472635075 /nfs/dbraw/zinc/63/50/75/472635075.db2.gz APNZBVJCDIDXCK-CYBMUJFWSA-N 1 0 331.372 2.545 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000060064567 472635036 /nfs/dbraw/zinc/63/50/36/472635036.db2.gz IZVIWZUGBLUFIH-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552051 472635458 /nfs/dbraw/zinc/63/54/58/472635458.db2.gz SSFOZIJYRADJAM-WMLDXEAASA-N 1 0 327.384 2.635 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046991522 472636462 /nfs/dbraw/zinc/63/64/62/472636462.db2.gz RMWQLCLFOJRFLT-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046990986 472636985 /nfs/dbraw/zinc/63/69/85/472636985.db2.gz HQQWRCLNOXPZQW-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047016856 472642769 /nfs/dbraw/zinc/64/27/69/472642769.db2.gz HMLXOLVHZANVHT-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000072274237 472644228 /nfs/dbraw/zinc/64/42/28/472644228.db2.gz GKGNYMLIFJLCDY-RHSMWYFYSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1ccc(C[C@H](C)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090619190 472645273 /nfs/dbraw/zinc/64/52/73/472645273.db2.gz JZJLYYKSYLPSJM-AWEZNQCLSA-N 1 0 332.404 2.611 20 5 EFBDRO COC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000090650983 472647696 /nfs/dbraw/zinc/64/76/96/472647696.db2.gz UGIWBPZXAHHKTL-INIZCTEOSA-N 1 0 334.416 2.701 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000060410674 472654410 /nfs/dbraw/zinc/65/44/10/472654410.db2.gz CPWPWMFSBBEPCA-NHYWBVRUSA-N 1 0 325.434 2.897 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047105598 472656419 /nfs/dbraw/zinc/65/64/19/472656419.db2.gz DIGTXZLXWXTYTA-UONOGXRCSA-N 1 0 338.795 2.997 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000120269761 472660078 /nfs/dbraw/zinc/66/00/78/472660078.db2.gz JKOZUCVSJSIMCS-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000047145597 472661056 /nfs/dbraw/zinc/66/10/56/472661056.db2.gz CFVFQXUPRVDELY-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000060488544 472661765 /nfs/dbraw/zinc/66/17/65/472661765.db2.gz XIVCFOVKWLTIBN-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000090909973 472663971 /nfs/dbraw/zinc/66/39/71/472663971.db2.gz IBENAPWLBUKRMA-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104528811 472676278 /nfs/dbraw/zinc/67/62/78/472676278.db2.gz FZDGUNSFHPQIKS-UHFFFAOYSA-N 1 0 327.812 2.908 20 5 EFBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047260022 472678826 /nfs/dbraw/zinc/67/88/26/472678826.db2.gz KYZZMGIELYGQJL-OAHLLOKOSA-N 1 0 340.383 2.841 20 5 EFBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047260420 472679379 /nfs/dbraw/zinc/67/93/79/472679379.db2.gz XERRPUWCCHEMMC-HNNXBMFYSA-N 1 0 340.383 2.841 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000072585172 472683129 /nfs/dbraw/zinc/68/31/29/472683129.db2.gz AQFVSHYZKOBEPH-UHFFFAOYSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120447774 472690961 /nfs/dbraw/zinc/69/09/61/472690961.db2.gz GFOGVLWLDPOBCH-CHWSQXEVSA-N 1 0 347.415 2.683 20 5 EFBDRO Cc1c(C[NH+]2CCC(N3CCCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000120481720 472697597 /nfs/dbraw/zinc/69/75/97/472697597.db2.gz ILCVCGZMGCSDDQ-UHFFFAOYSA-N 1 0 331.416 2.880 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104859129 472700333 /nfs/dbraw/zinc/70/03/33/472700333.db2.gz ZSUDFYSSJLZXOV-CYBMUJFWSA-N 1 0 336.436 2.726 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000047388255 472702419 /nfs/dbraw/zinc/70/24/19/472702419.db2.gz WBUOILCBFDQFDY-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000061548018 472706998 /nfs/dbraw/zinc/70/69/98/472706998.db2.gz JHSNDPAPEAMVKP-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156460734 472710251 /nfs/dbraw/zinc/71/02/51/472710251.db2.gz QUOZLXMXITYGBF-ZDUSSCGKSA-N 1 0 342.399 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c2ccncc21 ZINC000072751716 472711820 /nfs/dbraw/zinc/71/18/20/472711820.db2.gz PILCMAAPZQZTJR-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078425055 472713920 /nfs/dbraw/zinc/71/39/20/472713920.db2.gz DIUGCPKBWNHODI-ZDUSSCGKSA-N 1 0 334.376 2.815 20 5 EFBDRO COc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047452764 472715351 /nfs/dbraw/zinc/71/53/51/472715351.db2.gz NFNBHEWFSLGETB-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120615686 472719648 /nfs/dbraw/zinc/71/96/48/472719648.db2.gz WKSJSZZNUJTDPV-LRDDRELGSA-N 1 0 346.431 2.581 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000120626124 472721632 /nfs/dbraw/zinc/72/16/32/472721632.db2.gz YIMIELVLGCPNFH-LSDHHAIUSA-N 1 0 335.448 2.605 20 5 EFBDRO Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000072840176 472726228 /nfs/dbraw/zinc/72/62/28/472726228.db2.gz FVXHULGLHLMCQL-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078522417 472727793 /nfs/dbraw/zinc/72/77/93/472727793.db2.gz GZSQKJZSICEHPC-LBPRGKRZSA-N 1 0 347.337 2.507 20 5 EFBDRO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075492 472729098 /nfs/dbraw/zinc/72/90/98/472729098.db2.gz CIOBHICTWUUNKN-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000105471018 472754274 /nfs/dbraw/zinc/75/42/74/472754274.db2.gz HLRSBGVTVFBRAN-OAHLLOKOSA-N 1 0 347.440 2.744 20 5 EFBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000091478890 472771613 /nfs/dbraw/zinc/77/16/13/472771613.db2.gz VZINTOXJBNXSKZ-HUUCEWRRSA-N 1 0 333.432 2.920 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000047905458 472778945 /nfs/dbraw/zinc/77/89/45/472778945.db2.gz LZWJWUNCUYDXRE-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000047920028 472781121 /nfs/dbraw/zinc/78/11/21/472781121.db2.gz ACEBDFZAMQGLHV-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(C)N(C)C(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047925563 472782647 /nfs/dbraw/zinc/78/26/47/472782647.db2.gz SVTCMENSKVQFIJ-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000063497834 472782840 /nfs/dbraw/zinc/78/28/40/472782840.db2.gz DHQOGUHUYKAZTM-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000047971022 472790333 /nfs/dbraw/zinc/79/03/33/472790333.db2.gz DJTWLONCODFBTK-UHFFFAOYSA-N 1 0 342.399 2.579 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091739537 472801013 /nfs/dbraw/zinc/80/10/13/472801013.db2.gz BDDLKVLPXRTQRG-UKRRQHHQSA-N 1 0 343.431 2.966 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000133435946 472802694 /nfs/dbraw/zinc/80/26/94/472802694.db2.gz QVUXDVRPTSOAEM-YVEFUNNKSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000063710367 472803300 /nfs/dbraw/zinc/80/33/00/472803300.db2.gz ODWXNSOAFISCFC-BOLDSZDNSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000063725865 472805944 /nfs/dbraw/zinc/80/59/44/472805944.db2.gz BUVOUSVGLZZDDR-MDZDMXLPSA-N 1 0 331.416 2.941 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000121153223 472807339 /nfs/dbraw/zinc/80/73/39/472807339.db2.gz MOAUWZPQZKBHRL-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000063771212 472812158 /nfs/dbraw/zinc/81/21/58/472812158.db2.gz DMKMOLQYHKHAGS-UHFFFAOYSA-N 1 0 325.434 2.993 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000091824203 472812429 /nfs/dbraw/zinc/81/24/29/472812429.db2.gz MSHDPFXHULCSLZ-UHFFFAOYSA-N 1 0 343.387 2.517 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000063836572 472818262 /nfs/dbraw/zinc/81/82/62/472818262.db2.gz MGXPKUUZOAITCH-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000063853023 472821378 /nfs/dbraw/zinc/82/13/78/472821378.db2.gz UAEKZENALICJKD-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000091889882 472821479 /nfs/dbraw/zinc/82/14/79/472821479.db2.gz KGXLLTATYPZIOL-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000157471328 472824207 /nfs/dbraw/zinc/82/42/07/472824207.db2.gz TVOOQLNJAOUPEJ-HIFRSBDPSA-N 1 0 331.416 2.505 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2F)([NH+](C)C)C1 ZINC000133827422 472845052 /nfs/dbraw/zinc/84/50/52/472845052.db2.gz DVSSJJURCOKDMR-SJCJKPOMSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064381793 472849063 /nfs/dbraw/zinc/84/90/63/472849063.db2.gz GJDAOHZSGSORJA-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000133903508 472853772 /nfs/dbraw/zinc/85/37/72/472853772.db2.gz LURJALAPRWZXAV-GFCCVEGCSA-N 1 0 330.388 2.603 20 5 EFBDRO COc1ccc(C[N@H+](C)CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000157756609 472855531 /nfs/dbraw/zinc/85/55/31/472855531.db2.gz CHCILOJEDSEUDR-UHFFFAOYSA-N 1 0 346.383 2.607 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000157852433 472865140 /nfs/dbraw/zinc/86/51/40/472865140.db2.gz SNJNLUNOBZQYDD-KRWDZBQOSA-N 1 0 348.378 2.612 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121522228 472865870 /nfs/dbraw/zinc/86/58/70/472865870.db2.gz NRKDAWCFJJKTEQ-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(C(=O)C2CC2)CC1 ZINC000121572018 472874041 /nfs/dbraw/zinc/87/40/41/472874041.db2.gz PHPBQDGXPPTYHM-AWEZNQCLSA-N 1 0 331.416 2.909 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000064820930 472880104 /nfs/dbraw/zinc/88/01/04/472880104.db2.gz WUUYURIMHWCFCN-NSHDSACASA-N 1 0 325.434 2.897 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000092253955 472884128 /nfs/dbraw/zinc/88/41/28/472884128.db2.gz BKNTVLLIYKTIKF-LBPRGKRZSA-N 1 0 343.374 2.970 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073827660 472885049 /nfs/dbraw/zinc/88/50/49/472885049.db2.gz MFWIZNCMWDLYBK-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079750762 472918137 /nfs/dbraw/zinc/91/81/37/472918137.db2.gz QERZGMHUXIZZLR-JTQLQIEISA-N 1 0 343.305 2.580 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000134585465 472933433 /nfs/dbraw/zinc/93/34/33/472933433.db2.gz VCPBXUAXBOOGDZ-GOEBONIOSA-N 1 0 340.445 2.552 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134584671 472933656 /nfs/dbraw/zinc/93/36/56/472933656.db2.gz FKQJJVXXKZEDEL-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134593964 472935216 /nfs/dbraw/zinc/93/52/16/472935216.db2.gz MLACHVJLUWSOCW-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424213 472940566 /nfs/dbraw/zinc/94/05/66/472940566.db2.gz AMNFHTCOFRQUEB-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079929508 472944063 /nfs/dbraw/zinc/94/40/63/472944063.db2.gz NUUNKLXPHJIDJM-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121984482 472959051 /nfs/dbraw/zinc/95/90/51/472959051.db2.gz AVFZOUFLNRGJPT-IINYFYTJSA-N 1 0 325.796 2.519 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000065511741 472960329 /nfs/dbraw/zinc/96/03/29/472960329.db2.gz XGGVQKWGJFDJTA-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000050009337 472973724 /nfs/dbraw/zinc/97/37/24/472973724.db2.gz AYOJFGDXRXLORB-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080101980 472977000 /nfs/dbraw/zinc/97/70/00/472977000.db2.gz RMFRDSJPPPVRIO-ZDUSSCGKSA-N 1 0 336.436 2.859 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1Cc1ccccc1 ZINC000134864396 472978788 /nfs/dbraw/zinc/97/87/88/472978788.db2.gz ACALHTFHQDEVBL-TZMCWYRMSA-N 1 0 329.356 2.581 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287073 472979311 /nfs/dbraw/zinc/97/93/11/472979311.db2.gz YPOQNBQKULTRMQ-CABCVRRESA-N 1 0 346.387 2.770 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000074297302 472982127 /nfs/dbraw/zinc/98/21/27/472982127.db2.gz OMLCRBJMGPIFFD-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000074326705 472989762 /nfs/dbraw/zinc/98/97/62/472989762.db2.gz ARDCLZYIHFVOQL-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000122254205 472992881 /nfs/dbraw/zinc/99/28/81/472992881.db2.gz ZNUVCQUDOXDFRU-QAPCUYQASA-N 1 0 335.448 2.992 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000074380875 472997809 /nfs/dbraw/zinc/99/78/09/472997809.db2.gz QVOSBMSBZLLAEH-QGZVFWFLSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080230979 472999125 /nfs/dbraw/zinc/99/91/25/472999125.db2.gz BYTALFDAEMGYCB-ZFWWWQNUSA-N 1 0 329.404 2.793 20 5 EFBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000050993903 473017975 /nfs/dbraw/zinc/01/79/75/473017975.db2.gz YLLKFOBOGJVSEY-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000108365570 473018895 /nfs/dbraw/zinc/01/88/95/473018895.db2.gz BHEGCCDMJCYGMM-UHFFFAOYSA-N 1 0 349.387 2.915 20 5 EFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000108495854 473033189 /nfs/dbraw/zinc/03/31/89/473033189.db2.gz IOAVQWGANKJWFZ-SWLSCSKDSA-N 1 0 337.807 2.739 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COCc1ccco1)C1CC1 ZINC000135234044 473040820 /nfs/dbraw/zinc/04/08/20/473040820.db2.gz PZNMDSXYRYVNOW-MRXNPFEDSA-N 1 0 346.383 2.730 20 5 EFBDRO C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241432 473042248 /nfs/dbraw/zinc/04/22/48/473042248.db2.gz HGVACWNXKVNHCX-CQSZACIVSA-N 1 0 331.416 2.960 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000051506469 473052842 /nfs/dbraw/zinc/05/28/42/473052842.db2.gz KVZGEZSPNWPITD-CQSZACIVSA-N 1 0 344.367 2.745 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051504453 473053562 /nfs/dbraw/zinc/05/35/62/473053562.db2.gz VDRWNROJBLMGIH-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122755709 473053985 /nfs/dbraw/zinc/05/39/85/473053985.db2.gz LVGWWOAKGNLBRM-OLZOCXBDSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1cc(NCC2([NH+]3CCCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000074764611 473059821 /nfs/dbraw/zinc/05/98/21/473059821.db2.gz XKEMSWAKICCWNU-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080650598 473064001 /nfs/dbraw/zinc/06/40/01/473064001.db2.gz UOPWFWWGSOMAEQ-CYBMUJFWSA-N 1 0 339.823 2.715 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000080680479 473068223 /nfs/dbraw/zinc/06/82/23/473068223.db2.gz XUIKXIMMJKGJNZ-CQSZACIVSA-N 1 0 325.384 2.671 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159890654 473069828 /nfs/dbraw/zinc/06/98/28/473069828.db2.gz HHYCRRJGKLBGOP-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135450245 473073766 /nfs/dbraw/zinc/07/37/66/473073766.db2.gz REHRISSLDBJLLS-ZDUSSCGKSA-N 1 0 334.401 2.972 20 5 EFBDRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000159989656 473078732 /nfs/dbraw/zinc/07/87/32/473078732.db2.gz PLNYQDLWYHIDDD-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434425 473108629 /nfs/dbraw/zinc/10/86/29/473108629.db2.gz OOHGDPSAMNRRRJ-LDYMZIIASA-N 1 0 329.198 2.682 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000093460583 473112699 /nfs/dbraw/zinc/11/26/99/473112699.db2.gz CVTMWMSSTOLBAF-IEXSPKMKSA-N 1 0 348.399 2.652 20 5 EFBDRO COCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534376 473116116 /nfs/dbraw/zinc/11/61/16/473116116.db2.gz OCUKOVJBSMVFOS-MRXNPFEDSA-N 1 0 342.399 2.823 20 5 EFBDRO CC(=O)NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123262643 473118506 /nfs/dbraw/zinc/11/85/06/473118506.db2.gz SVUJNDWGNYRXIY-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000136013144 473128593 /nfs/dbraw/zinc/12/85/93/473128593.db2.gz JJMCZKZDXWYATA-GFCCVEGCSA-N 1 0 343.387 2.802 20 5 EFBDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160469802 473130518 /nfs/dbraw/zinc/13/05/18/473130518.db2.gz UMRYXCFFXJPUFJ-HLLBOEOZSA-N 1 0 333.432 2.981 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081121142 473150242 /nfs/dbraw/zinc/15/02/42/473150242.db2.gz WQCXGJQCNKBDCV-SFHVURJKSA-N 1 0 339.395 2.941 20 5 EFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110355768 473153861 /nfs/dbraw/zinc/15/38/61/473153861.db2.gz HEJQQAUVOSQLSR-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000123566431 473159383 /nfs/dbraw/zinc/15/93/83/473159383.db2.gz HAGUXFSHPZSZOU-ZDUSSCGKSA-N 1 0 332.379 2.922 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000093971362 473165238 /nfs/dbraw/zinc/16/52/38/473165238.db2.gz VEQUZRNAKDMNLQ-LSDHHAIUSA-N 1 0 331.416 2.877 20 5 EFBDRO CC[N@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052968896 473169509 /nfs/dbraw/zinc/16/95/09/473169509.db2.gz IICRWWNECUBWRZ-UHFFFAOYSA-N 1 0 327.384 2.758 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000066921111 473176380 /nfs/dbraw/zinc/17/63/80/473176380.db2.gz IWMRPHSKBDCPHX-GOSISDBHSA-N 1 0 339.395 2.876 20 5 EFBDRO COc1ccc(OCC[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136819567 473177372 /nfs/dbraw/zinc/17/73/72/473177372.db2.gz QPYIOBNNYZDENY-GOSISDBHSA-N 1 0 346.383 2.648 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066945422 473180748 /nfs/dbraw/zinc/18/07/48/473180748.db2.gz DJVWKSLJRRMIPZ-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000081333986 473186530 /nfs/dbraw/zinc/18/65/30/473186530.db2.gz MPYVHWYQNYBESR-BOLDSZDNSA-N 1 0 331.416 2.798 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136984647 473189225 /nfs/dbraw/zinc/18/92/25/473189225.db2.gz WJHUNVKFMWJYQI-QGZVFWFLSA-N 1 0 335.448 2.682 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000161008112 473198854 /nfs/dbraw/zinc/19/88/54/473198854.db2.gz STBSWNXZRWKWMU-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161012713 473199125 /nfs/dbraw/zinc/19/91/25/473199125.db2.gz KOEKRQIRMMHZEJ-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000137231738 473199769 /nfs/dbraw/zinc/19/97/69/473199769.db2.gz VYFROCSSQYFOIO-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794220 473395596 /nfs/dbraw/zinc/39/55/96/473395596.db2.gz VREYCGPAIYGYPQ-AWEZNQCLSA-N 1 0 344.415 2.923 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000151035659 473400019 /nfs/dbraw/zinc/40/00/19/473400019.db2.gz XXYLPNNDBAQUEJ-GOSISDBHSA-N 1 0 345.443 2.764 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177593085 473404142 /nfs/dbraw/zinc/40/41/42/473404142.db2.gz HDOMIDUMDNPDSC-QWRGUYRKSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000185428256 473423455 /nfs/dbraw/zinc/42/34/55/473423455.db2.gz AVXHMTRLUIRYTF-JZXOWHBKSA-N 1 0 345.443 2.859 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000185428275 473424037 /nfs/dbraw/zinc/42/40/37/473424037.db2.gz AVXHMTRLUIRYTF-NUJGCVRESA-N 1 0 345.443 2.859 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185436733 473426635 /nfs/dbraw/zinc/42/66/35/473426635.db2.gz MQEIPUZFHJCJLJ-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CCOC(=O)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125561107 473427172 /nfs/dbraw/zinc/42/71/72/473427172.db2.gz SNZIHONNYXGDIS-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185484032 473438370 /nfs/dbraw/zinc/43/83/70/473438370.db2.gz MXMSHTXJQSQTEQ-SFHVURJKSA-N 1 0 342.395 2.612 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000171695756 473440711 /nfs/dbraw/zinc/44/07/11/473440711.db2.gz YZCVHKBRBAVTEV-AWEZNQCLSA-N 1 0 348.447 2.998 20 5 EFBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000125673677 473444274 /nfs/dbraw/zinc/44/42/74/473444274.db2.gz JKEJHTSYJVFKNH-KRWDZBQOSA-N 1 0 345.399 2.640 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000163600900 473457045 /nfs/dbraw/zinc/45/70/45/473457045.db2.gz JIEWZBKHRRKBPJ-MRXNPFEDSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000114377741 473457410 /nfs/dbraw/zinc/45/74/10/473457410.db2.gz GQHOPGUFNKDANP-HNNXBMFYSA-N 1 0 348.447 2.875 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185579602 473460715 /nfs/dbraw/zinc/46/07/15/473460715.db2.gz CLUPDLBBHZTMRN-TZMCWYRMSA-N 1 0 341.367 2.688 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467065 473468995 /nfs/dbraw/zinc/46/89/95/473468995.db2.gz CGXQOPFNZVVBBD-LJQANCHMSA-N 1 0 342.395 2.955 20 5 EFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185655076 473480260 /nfs/dbraw/zinc/48/02/60/473480260.db2.gz KFZGFUVESYVDIN-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185655098 473480880 /nfs/dbraw/zinc/48/08/80/473480880.db2.gz KFZGFUVESYVDIN-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO NC(=O)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000151824807 473496771 /nfs/dbraw/zinc/49/67/71/473496771.db2.gz OLHXMFGRKKOPSI-KRWDZBQOSA-N 1 0 345.374 2.873 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCCO1 ZINC000114726617 473498644 /nfs/dbraw/zinc/49/86/44/473498644.db2.gz UWNYSVMMSLWPNH-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO CCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000191197779 473504502 /nfs/dbraw/zinc/50/45/02/473504502.db2.gz XFWUVQJXINEFNF-LBPRGKRZSA-N 1 0 347.444 2.917 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000151899495 473506022 /nfs/dbraw/zinc/50/60/22/473506022.db2.gz JVXZGBIOGSCBPH-UHFFFAOYSA-N 1 0 348.447 2.607 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126378929 473512526 /nfs/dbraw/zinc/51/25/26/473512526.db2.gz DPOVLBJEMRWYJN-CVEARBPZSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172138955 473532311 /nfs/dbraw/zinc/53/23/11/473532311.db2.gz SPVKVKBZWPYKQF-UONOGXRCSA-N 1 0 334.420 2.639 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000191395194 473534675 /nfs/dbraw/zinc/53/46/75/473534675.db2.gz RXQLDXFTSITLAM-XZJROXQQSA-N 1 0 349.431 2.623 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000172172849 473541296 /nfs/dbraw/zinc/54/12/96/473541296.db2.gz OBSVYEPPNXSEJE-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000172178077 473542812 /nfs/dbraw/zinc/54/28/12/473542812.db2.gz MXOCLLUSBVQNBT-LLVKDONJSA-N 1 0 326.780 2.833 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000127303027 473597782 /nfs/dbraw/zinc/59/77/82/473597782.db2.gz PXNVUNLWUIFCRJ-CYBMUJFWSA-N 1 0 349.456 2.875 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000152888404 473598115 /nfs/dbraw/zinc/59/81/15/473598115.db2.gz CQJPZOHFYZRAKD-CYBMUJFWSA-N 1 0 329.356 2.565 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416931 473605607 /nfs/dbraw/zinc/60/56/07/473605607.db2.gz FHJXYRKIBMSLAB-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153170944 473611894 /nfs/dbraw/zinc/61/18/94/473611894.db2.gz VTMOUJQOCLXOLX-YNEHKIRRSA-N 1 0 333.388 2.662 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000170794120 473615835 /nfs/dbraw/zinc/61/58/35/473615835.db2.gz PZZGJNCYVGMAJS-SECBINFHSA-N 1 0 326.784 2.852 20 5 EFBDRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116129431 473630125 /nfs/dbraw/zinc/63/01/25/473630125.db2.gz DTGDPCAAJFWXDM-OAHLLOKOSA-N 1 0 337.420 2.700 20 5 EFBDRO O=C1NCCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179135327 473635962 /nfs/dbraw/zinc/63/59/62/473635962.db2.gz AFMPDOXRPCBIIA-FVQBIDKESA-N 1 0 331.416 2.564 20 5 EFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186297927 473641080 /nfs/dbraw/zinc/64/10/80/473641080.db2.gz JSMAXZDIPCHLMY-OAHLLOKOSA-N 1 0 343.383 2.924 20 5 EFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186297943 473641361 /nfs/dbraw/zinc/64/13/61/473641361.db2.gz JSMAXZDIPCHLMY-HNNXBMFYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186305400 473644249 /nfs/dbraw/zinc/64/42/49/473644249.db2.gz RWKLMDAZOCBRIW-SJORKVTESA-N 1 0 349.431 2.741 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172569257 473644522 /nfs/dbraw/zinc/64/45/22/473644522.db2.gz HJPSCQMLSNXSLI-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000153906449 473648962 /nfs/dbraw/zinc/64/89/62/473648962.db2.gz MXUNFTCJRQASLC-UTUOFQBUSA-N 1 0 349.387 2.581 20 5 EFBDRO C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000127790277 473649818 /nfs/dbraw/zinc/64/98/18/473649818.db2.gz IHPMEYRUPMSTJS-IYNGYCSASA-N 1 0 335.379 2.595 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000153906234 473649833 /nfs/dbraw/zinc/64/98/33/473649833.db2.gz MXUNFTCJRQASLC-TUAOUCFPSA-N 1 0 349.387 2.581 20 5 EFBDRO CCCN(CC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186330968 473651341 /nfs/dbraw/zinc/65/13/41/473651341.db2.gz FMCMLHVPYFDGBT-HNNXBMFYSA-N 1 0 338.404 2.682 20 5 EFBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170956271 473654790 /nfs/dbraw/zinc/65/47/90/473654790.db2.gz BLEWYGBFFYMVTR-PBHICJAKSA-N 1 0 342.395 2.954 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127919422 473664063 /nfs/dbraw/zinc/66/40/63/473664063.db2.gz AXSGJIUTZJIQFU-WHWKNOJMSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179341034 473676838 /nfs/dbraw/zinc/67/68/38/473676838.db2.gz ZDGFIQNLHCYETF-ZVVFDCPKSA-N 1 0 343.427 2.846 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000192486664 473684678 /nfs/dbraw/zinc/68/46/78/473684678.db2.gz BVMWOANCYXYWOK-UHFFFAOYSA-N 1 0 343.431 2.980 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000179405583 473684745 /nfs/dbraw/zinc/68/47/45/473684745.db2.gz KTWXVBLNKYTNDL-OLZOCXBDSA-N 1 0 335.404 2.655 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000192507598 473686959 /nfs/dbraw/zinc/68/69/59/473686959.db2.gz UOLKUQHTCREYCZ-SCLBCKFNSA-N 1 0 327.384 2.955 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000192506709 473687170 /nfs/dbraw/zinc/68/71/70/473687170.db2.gz KFXSZDAEBAQEMJ-UHFFFAOYSA-N 1 0 347.419 2.672 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000172842345 473691848 /nfs/dbraw/zinc/69/18/48/473691848.db2.gz RROREMJECCFTGA-YCABEKBOSA-N 1 0 331.416 2.941 20 5 EFBDRO NC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179576701 473696534 /nfs/dbraw/zinc/69/65/34/473696534.db2.gz RWBUBTDOSXJTJY-AWEZNQCLSA-N 1 0 349.774 2.958 20 5 EFBDRO CC(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192628390 473698117 /nfs/dbraw/zinc/69/81/17/473698117.db2.gz SMDBEZZXUYXNSN-RTBURBONSA-N 1 0 347.459 2.919 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186614522 473699900 /nfs/dbraw/zinc/69/99/00/473699900.db2.gz JJJIGLZSMVOOQR-OALUTQOASA-N 1 0 340.379 2.760 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274006038 473702275 /nfs/dbraw/zinc/70/22/75/473702275.db2.gz UHAHOUUUOYSJMN-ZFWWWQNUSA-N 1 0 327.388 2.707 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000192681088 473704796 /nfs/dbraw/zinc/70/47/96/473704796.db2.gz HUQFQEQGGPACOH-ZDUSSCGKSA-N 1 0 331.416 2.955 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCSC ZINC000281404687 473709403 /nfs/dbraw/zinc/70/94/03/473709403.db2.gz NUSDVWZLUVOOMP-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192706323 473709535 /nfs/dbraw/zinc/70/95/35/473709535.db2.gz HCGQVYVRPQXARF-UKRRQHHQSA-N 1 0 333.436 2.573 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000172947046 473710263 /nfs/dbraw/zinc/71/02/63/473710263.db2.gz NIBUPWDBRHBNKD-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000172958178 473712551 /nfs/dbraw/zinc/71/25/51/473712551.db2.gz CNEWTCLDGHAWMH-BETUJISGSA-N 1 0 333.388 2.520 20 5 EFBDRO COCCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737935 473716716 /nfs/dbraw/zinc/71/67/16/473716716.db2.gz XLVLLPIXEBETEZ-GOSISDBHSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262763012 473720775 /nfs/dbraw/zinc/72/07/75/473720775.db2.gz ISLKRYJPNJJHGG-WDEREUQCSA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@@H]1[NH2+]CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000262763011 473720997 /nfs/dbraw/zinc/72/09/97/473720997.db2.gz ISLKRYJPNJJHGG-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(F)ccc1F ZINC000179773973 473723277 /nfs/dbraw/zinc/72/32/77/473723277.db2.gz LPBJCDMNLOPWMD-HNNXBMFYSA-N 1 0 337.326 2.776 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192799202 473727807 /nfs/dbraw/zinc/72/78/07/473727807.db2.gz SWDYRKRKWBGNDM-YPMHNXCESA-N 1 0 349.387 2.773 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000269204577 473731039 /nfs/dbraw/zinc/73/10/39/473731039.db2.gz PPFFFNIDKKGEJG-DZGCQCFKSA-N 1 0 342.399 2.632 20 5 EFBDRO CC1(C)COCCN1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192816601 473731434 /nfs/dbraw/zinc/73/14/34/473731434.db2.gz VCBGCDMSYJNSNN-KRWDZBQOSA-N 1 0 333.432 2.673 20 5 EFBDRO CN(C)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192863861 473739097 /nfs/dbraw/zinc/73/90/97/473739097.db2.gz LJCWCVKLUIGWCH-KRWDZBQOSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287723161 473742861 /nfs/dbraw/zinc/74/28/61/473742861.db2.gz FJLGGUDGOYQACR-NSHDSACASA-N 1 0 335.433 2.989 20 5 EFBDRO CCN1CCc2nc(NC(=O)c3c(C)cccc3[N+](=O)[O-])sc2C1 ZINC000192900115 473744918 /nfs/dbraw/zinc/74/49/18/473744918.db2.gz MHUAYUANRQTFGM-UHFFFAOYSA-N 1 0 346.412 2.990 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000179876669 473747657 /nfs/dbraw/zinc/74/76/57/473747657.db2.gz OMOUKKBPMJJRQY-ZDUSSCGKSA-N 1 0 335.404 2.637 20 5 EFBDRO CC(C)CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000179906316 473752256 /nfs/dbraw/zinc/75/22/56/473752256.db2.gz BWQVYYJJIAWDKA-HUUCEWRRSA-N 1 0 326.441 2.593 20 5 EFBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192992266 473757505 /nfs/dbraw/zinc/75/75/05/473757505.db2.gz YIOTZVODEBBWSE-HNNXBMFYSA-N 1 0 340.445 2.775 20 5 EFBDRO COc1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000274215503 473763266 /nfs/dbraw/zinc/76/32/66/473763266.db2.gz MEQRVDPCDVGBSP-UHFFFAOYSA-N 1 0 335.404 2.519 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269294527 473765347 /nfs/dbraw/zinc/76/53/47/473765347.db2.gz VTZOIHMWBCPUOU-CYBMUJFWSA-N 1 0 334.420 2.609 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281560610 473765588 /nfs/dbraw/zinc/76/55/88/473765588.db2.gz CZQBFRTVIDRHRH-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173188096 473765990 /nfs/dbraw/zinc/76/59/90/473765990.db2.gz GKGWWLKCHIRUDK-UHFFFAOYSA-N 1 0 333.432 2.718 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000173229593 473775083 /nfs/dbraw/zinc/77/50/83/473775083.db2.gz INDFQVPJDAXFED-SOUVJXGZSA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000173268677 473788071 /nfs/dbraw/zinc/78/80/71/473788071.db2.gz KVALABRECBWVDY-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173286604 473795828 /nfs/dbraw/zinc/79/58/28/473795828.db2.gz SEMBSHVTNJCYKU-MRXNPFEDSA-N 1 0 345.399 2.930 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000281655528 473796687 /nfs/dbraw/zinc/79/66/87/473796687.db2.gz KJJSCUCRFPLMJV-AAEUAGOBSA-N 1 0 339.367 2.562 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000263667875 473798909 /nfs/dbraw/zinc/79/89/09/473798909.db2.gz FTODYMKDTYPDLT-MRXNPFEDSA-N 1 0 330.384 2.859 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000263667872 473799090 /nfs/dbraw/zinc/79/90/90/473799090.db2.gz FTODYMKDTYPDLT-INIZCTEOSA-N 1 0 330.384 2.859 20 5 EFBDRO COc1ccc(OCC[N@H+]([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000287926891 473799550 /nfs/dbraw/zinc/79/95/50/473799550.db2.gz WMGROTZDPBIYDH-CYBMUJFWSA-N 1 0 338.404 2.608 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCCC[NH+]3CCCCC3)cc2N1 ZINC000193690212 473802529 /nfs/dbraw/zinc/80/25/29/473802529.db2.gz VQVYHQVJZQOBNJ-UHFFFAOYSA-N 1 0 332.404 2.767 20 5 EFBDRO CSc1cccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000187030073 473804639 /nfs/dbraw/zinc/80/46/39/473804639.db2.gz PJMUNNYZLYDHGO-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2nonc21 ZINC000269417024 473805287 /nfs/dbraw/zinc/80/52/87/473805287.db2.gz KTQFOBHTBHWQTJ-DGCLKSJQSA-N 1 0 343.387 2.584 20 5 EFBDRO C[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000173359613 473816064 /nfs/dbraw/zinc/81/60/64/473816064.db2.gz ZWIWPROVMGMMRR-UHFFFAOYSA-N 1 0 332.429 2.902 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCN(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000194012391 473827285 /nfs/dbraw/zinc/82/72/85/473827285.db2.gz TVMZVSHXXDZYQI-UHFFFAOYSA-N 1 0 348.384 2.887 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000246322344 473828946 /nfs/dbraw/zinc/82/89/46/473828946.db2.gz RUHKNSIRJNKLDX-MAUKXSAKSA-N 1 0 343.427 2.613 20 5 EFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173426416 473834594 /nfs/dbraw/zinc/83/45/94/473834594.db2.gz UKYMBBWIBAZPFL-XIKOKIGWSA-N 1 0 346.383 2.996 20 5 EFBDRO CNC(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263756850 473835194 /nfs/dbraw/zinc/83/51/94/473835194.db2.gz AGVKERDKOUUQHL-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173432622 473836565 /nfs/dbraw/zinc/83/65/65/473836565.db2.gz BSCKLSVNVLIMAJ-CYBMUJFWSA-N 1 0 331.372 2.967 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000173471689 473846954 /nfs/dbraw/zinc/84/69/54/473846954.db2.gz UCSYJTKRXSYKRZ-CYBMUJFWSA-N 1 0 346.362 2.824 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000263785946 473848379 /nfs/dbraw/zinc/84/83/79/473848379.db2.gz PAEDZAPHHAJLKK-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000269632497 473850644 /nfs/dbraw/zinc/85/06/44/473850644.db2.gz FZWRZSHXYHIHPN-ZWKOTPCHSA-N 1 0 330.384 2.684 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269658496 473856214 /nfs/dbraw/zinc/85/62/14/473856214.db2.gz JKPGCKNYKAXSDR-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000269677250 473856648 /nfs/dbraw/zinc/85/66/48/473856648.db2.gz QAUGLJLXUSPVFL-IBGZPJMESA-N 1 0 347.459 2.826 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000269702159 473868157 /nfs/dbraw/zinc/86/81/57/473868157.db2.gz MFNRZHOIVZBANB-MRXNPFEDSA-N 1 0 331.416 2.533 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194263010 473869064 /nfs/dbraw/zinc/86/90/64/473869064.db2.gz GOJYXORXADFWHO-ZDUSSCGKSA-N 1 0 334.420 2.828 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407637 473871235 /nfs/dbraw/zinc/87/12/35/473871235.db2.gz FCJHOOOWZATNQO-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000288200132 473873040 /nfs/dbraw/zinc/87/30/40/473873040.db2.gz SPMYZCIHTKDDHT-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435953 473876968 /nfs/dbraw/zinc/87/69/68/473876968.db2.gz KIFOWHMDYUPPDD-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435902 473876983 /nfs/dbraw/zinc/87/69/83/473876983.db2.gz KIFOWHMDYUPPDD-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180437080 473878162 /nfs/dbraw/zinc/87/81/62/473878162.db2.gz AYXXZDLXPWPFLM-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443267 473879260 /nfs/dbraw/zinc/87/92/60/473879260.db2.gz SPWIZTPQRBSNLX-HNNXBMFYSA-N 1 0 341.411 2.913 20 5 EFBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000269799220 473885963 /nfs/dbraw/zinc/88/59/63/473885963.db2.gz JMGLAOJUGFNREE-UHFFFAOYSA-N 1 0 334.420 2.696 20 5 EFBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281928965 473887603 /nfs/dbraw/zinc/88/76/03/473887603.db2.gz AWDJZJBSHGUPKL-ZDUSSCGKSA-N 1 0 335.404 2.718 20 5 EFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+](C)Cc1ccccc1 ZINC000173605598 473888663 /nfs/dbraw/zinc/88/86/63/473888663.db2.gz ZBLZOVUCTLENNM-CYBMUJFWSA-N 1 0 331.372 2.828 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000246585686 473909534 /nfs/dbraw/zinc/90/95/34/473909534.db2.gz GJONRYUEQDXOMP-RYUDHWBXSA-N 1 0 349.387 2.630 20 5 EFBDRO CC[C@@H]([NH2+]CCCOCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000274659325 473912197 /nfs/dbraw/zinc/91/21/97/473912197.db2.gz MXWJMIXBTDUBKI-QGZVFWFLSA-N 1 0 340.420 2.705 20 5 EFBDRO Cc1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000269918049 473916244 /nfs/dbraw/zinc/91/62/44/473916244.db2.gz JXAQPXXVVQVOAY-NSHDSACASA-N 1 0 333.417 2.650 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246619136 473917367 /nfs/dbraw/zinc/91/73/67/473917367.db2.gz JWELHYPMEHZYOR-WMLDXEAASA-N 1 0 347.415 2.733 20 5 EFBDRO CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274677923 473917731 /nfs/dbraw/zinc/91/77/31/473917731.db2.gz MZZDNNIABVWOKX-CABCVRRESA-N 1 0 325.409 2.750 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263954585 473918662 /nfs/dbraw/zinc/91/86/62/473918662.db2.gz RKNJKTHXPOXAFK-JTQLQIEISA-N 1 0 334.763 2.991 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000288389062 473927423 /nfs/dbraw/zinc/92/74/23/473927423.db2.gz MDJVOWQJZOFACH-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO CS[C@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274709099 473928609 /nfs/dbraw/zinc/92/86/09/473928609.db2.gz XDHQVNDKKZIZDN-IRXDYDNUSA-N 1 0 349.456 2.813 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000274713170 473930909 /nfs/dbraw/zinc/93/09/09/473930909.db2.gz YSKNJVXDXUQMTQ-CABCVRRESA-N 1 0 325.409 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282076486 473939160 /nfs/dbraw/zinc/93/91/60/473939160.db2.gz XENVKPPUAKCOHT-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000269989486 473944702 /nfs/dbraw/zinc/94/47/02/473944702.db2.gz GDVHZQUGNGZROX-GZBFAFLISA-N 1 0 329.404 2.785 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000269989484 473944828 /nfs/dbraw/zinc/94/48/28/473944828.db2.gz GDVHZQUGNGZROX-GUTXKFCHSA-N 1 0 329.404 2.785 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180695734 473944961 /nfs/dbraw/zinc/94/49/61/473944961.db2.gz UKIQMRPMYQZRHV-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCOC2)s1 ZINC000270000320 473949765 /nfs/dbraw/zinc/94/97/65/473949765.db2.gz RCQRDYGQKSADAB-INIZCTEOSA-N 1 0 334.397 2.564 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000282121205 473952845 /nfs/dbraw/zinc/95/28/45/473952845.db2.gz JLWIXUJBZFQBPH-HOTGVXAUSA-N 1 0 333.432 2.700 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000282130964 473955174 /nfs/dbraw/zinc/95/51/74/473955174.db2.gz KDAYITYLYVDKCE-HOTGVXAUSA-N 1 0 333.432 2.700 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNCc1ccccc1[N+](=O)[O-] ZINC000288504599 473962903 /nfs/dbraw/zinc/96/29/03/473962903.db2.gz IGONJHDIAZQMLJ-UHFFFAOYSA-N 1 0 344.415 2.610 20 5 EFBDRO CSc1cccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188058897 473966410 /nfs/dbraw/zinc/96/64/10/473966410.db2.gz PXULZZGFCNUPHI-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000188063087 473968639 /nfs/dbraw/zinc/96/86/39/473968639.db2.gz AZZBZTIRXFITJT-GFCCVEGCSA-N 1 0 337.420 2.618 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000270060364 473972725 /nfs/dbraw/zinc/97/27/25/473972725.db2.gz WZHXAYYNKLAMOK-SZMVWBNQSA-N 1 0 347.459 2.616 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282178666 473972609 /nfs/dbraw/zinc/97/26/09/473972609.db2.gz FMBSBKFLVSLWTR-CYULLINESA-N 1 0 336.457 2.807 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282221113 473985971 /nfs/dbraw/zinc/98/59/71/473985971.db2.gz YSBZBZXDVUTQHC-XJKSGUPXSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111436 474007311 /nfs/dbraw/zinc/00/73/11/474007311.db2.gz OWIPUYTXHIDTDN-PXAZEXFGSA-N 1 0 325.368 2.659 20 5 EFBDRO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195111424 474008405 /nfs/dbraw/zinc/00/84/05/474008405.db2.gz OWIPUYTXHIDTDN-SJCJKPOMSA-N 1 0 325.368 2.659 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246964562 474019188 /nfs/dbraw/zinc/01/91/88/474019188.db2.gz VCPBXUAXBOOGDZ-GDBMZVCRSA-N 1 0 340.445 2.552 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264525505 474024449 /nfs/dbraw/zinc/02/44/49/474024449.db2.gz XGEXHYSPWBNZPC-AWEZNQCLSA-N 1 0 332.404 2.995 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282332004 474025968 /nfs/dbraw/zinc/02/59/68/474025968.db2.gz FWROTETTWSZPKH-CQSZACIVSA-N 1 0 336.436 2.509 20 5 EFBDRO CO[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000282338714 474028081 /nfs/dbraw/zinc/02/80/81/474028081.db2.gz LZEFANRTIQONFL-CMPLNLGQSA-N 1 0 341.795 2.686 20 5 EFBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000288727874 474034350 /nfs/dbraw/zinc/03/43/50/474034350.db2.gz GKOSFGXEONYZQB-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000188257016 474036118 /nfs/dbraw/zinc/03/61/18/474036118.db2.gz HNJZJIKMRFHGPN-OAHLLOKOSA-N 1 0 349.431 2.858 20 5 EFBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2cccc([N+](=O)[O-])c2C)O1 ZINC000282359176 474036814 /nfs/dbraw/zinc/03/68/14/474036814.db2.gz DDVHOGGFEKEWJV-JKEMJCCQSA-N 1 0 348.399 2.587 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181519813 474043230 /nfs/dbraw/zinc/04/32/30/474043230.db2.gz WSSKHJZUVXOBOJ-NSHDSACASA-N 1 0 345.355 2.598 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181570173 474048591 /nfs/dbraw/zinc/04/85/91/474048591.db2.gz SYEHBCVRBGKASX-NWDGAFQWSA-N 1 0 329.356 2.978 20 5 EFBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000282403730 474053096 /nfs/dbraw/zinc/05/30/96/474053096.db2.gz YQSOFEGIERVTAI-ZDUSSCGKSA-N 1 0 336.413 2.810 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000195314974 474057512 /nfs/dbraw/zinc/05/75/12/474057512.db2.gz RGXPJIKAHKHVJS-IOASZLSFSA-N 1 0 331.416 2.898 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000195340856 474061276 /nfs/dbraw/zinc/06/12/76/474061276.db2.gz DYSFNPBCWYZTRS-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174557052 474061157 /nfs/dbraw/zinc/06/11/57/474061157.db2.gz WCSVWRBLWFESLI-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270300171 474062435 /nfs/dbraw/zinc/06/24/35/474062435.db2.gz YGQIIHQLPWAUSC-PFWMLDTASA-N 1 0 343.427 2.798 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000188353569 474068067 /nfs/dbraw/zinc/06/80/67/474068067.db2.gz PGLOOHXKTFKVOE-UHFFFAOYSA-N 1 0 344.371 2.790 20 5 EFBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000288850075 474069830 /nfs/dbraw/zinc/06/98/30/474069830.db2.gz PDVQOXKQHHWABP-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000195473274 474080749 /nfs/dbraw/zinc/08/07/49/474080749.db2.gz SLIHLBQGPRBPEF-UHFFFAOYSA-N 1 0 327.384 2.929 20 5 EFBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000264684114 474086773 /nfs/dbraw/zinc/08/67/73/474086773.db2.gz APIZDRMIWCLIAK-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn[nH]c1 ZINC000275182522 474096215 /nfs/dbraw/zinc/09/62/15/474096215.db2.gz NLBOXQKUHOFDJN-NSHDSACASA-N 1 0 327.344 2.866 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000174802074 474098381 /nfs/dbraw/zinc/09/83/81/474098381.db2.gz FWSUPWHOZHTWIT-MRXNPFEDSA-N 1 0 336.436 2.589 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275206586 474104287 /nfs/dbraw/zinc/10/42/87/474104287.db2.gz IXKIOBHPVBUSPP-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1ccc(CNc2cc(N3CCCCC3)ncn2)cc1[N+](=O)[O-] ZINC000264734227 474108361 /nfs/dbraw/zinc/10/83/61/474108361.db2.gz XROUQZKCNSNUPN-UHFFFAOYSA-N 1 0 343.387 2.996 20 5 EFBDRO O=C(CN1CCCc2occc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000288982128 474110893 /nfs/dbraw/zinc/11/08/93/474110893.db2.gz ZIMQREZFSWZRHR-UHFFFAOYSA-N 1 0 341.367 2.525 20 5 EFBDRO CCCC[N@H+](CCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182155359 474111581 /nfs/dbraw/zinc/11/15/81/474111581.db2.gz PZUPICIUIUYPRG-UHFFFAOYSA-N 1 0 337.420 2.716 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000247303337 474112705 /nfs/dbraw/zinc/11/27/05/474112705.db2.gz PMRUSLNELAIKJD-KBPBESRZSA-N 1 0 349.456 2.873 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182176291 474115784 /nfs/dbraw/zinc/11/57/84/474115784.db2.gz PMPFANFFDVAMMF-HUUCEWRRSA-N 1 0 330.384 2.994 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270459159 474127473 /nfs/dbraw/zinc/12/74/73/474127473.db2.gz GDGKPBVFLSLJNG-MRXNPFEDSA-N 1 0 348.447 2.653 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270459157 474127960 /nfs/dbraw/zinc/12/79/60/474127960.db2.gz GDGKPBVFLSLJNG-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 ZINC000270460483 474128137 /nfs/dbraw/zinc/12/81/37/474128137.db2.gz AECVLMAQRDILRF-UHFFFAOYSA-N 1 0 333.363 2.806 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000188589980 474135363 /nfs/dbraw/zinc/13/53/63/474135363.db2.gz RDCICGIIRADOMP-GFCCVEGCSA-N 1 0 335.404 2.516 20 5 EFBDRO Cc1cc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000270519073 474152585 /nfs/dbraw/zinc/15/25/85/474152585.db2.gz ZPKMGVGLJXIXGJ-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247473133 474154767 /nfs/dbraw/zinc/15/47/67/474154767.db2.gz VMSSBYCOZAXYMQ-AVGNSLFASA-N 1 0 333.388 2.662 20 5 EFBDRO COC(=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000188672827 474161491 /nfs/dbraw/zinc/16/14/91/474161491.db2.gz WRYFDKNRTKAFIR-HIFRSBDPSA-N 1 0 332.400 2.849 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000182389163 474164071 /nfs/dbraw/zinc/16/40/71/474164071.db2.gz RAGMLYGYFQIZHO-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccccc1 ZINC000265017927 474164638 /nfs/dbraw/zinc/16/46/38/474164638.db2.gz IMFOAQSYIVOSGL-LJQANCHMSA-N 1 0 344.411 2.647 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000182406042 474167882 /nfs/dbraw/zinc/16/78/82/474167882.db2.gz NYALQTLXRURIMD-LXZKKBNFSA-N 1 0 346.431 2.782 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270557268 474170130 /nfs/dbraw/zinc/17/01/30/474170130.db2.gz JJVVCXPMGGFLAO-GFCCVEGCSA-N 1 0 325.384 2.911 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 ZINC000270571824 474173385 /nfs/dbraw/zinc/17/33/85/474173385.db2.gz NWDAHWFAHVBMCG-UHFFFAOYSA-N 1 0 333.363 2.808 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000289179525 474173660 /nfs/dbraw/zinc/17/36/60/474173660.db2.gz IGALKDGRRPPPPI-MRXNPFEDSA-N 1 0 335.429 2.532 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000182430403 474173971 /nfs/dbraw/zinc/17/39/71/474173971.db2.gz FGIXZHDYAGOJAN-HNNXBMFYSA-N 1 0 346.358 2.753 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000182426949 474174117 /nfs/dbraw/zinc/17/41/17/474174117.db2.gz NOJNFNJALFNKNC-OAHLLOKOSA-N 1 0 348.374 2.999 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175261021 474174356 /nfs/dbraw/zinc/17/43/56/474174356.db2.gz NCZZLSKGLKSUGJ-MRXNPFEDSA-N 1 0 346.431 2.659 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000182426929 474174408 /nfs/dbraw/zinc/17/44/08/474174408.db2.gz NOJNFNJALFNKNC-HNNXBMFYSA-N 1 0 348.374 2.999 20 5 EFBDRO CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275431886 474183423 /nfs/dbraw/zinc/18/34/23/474183423.db2.gz ISGFOKDNZFAGPA-KBPBESRZSA-N 1 0 325.409 2.750 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000247744754 474207692 /nfs/dbraw/zinc/20/76/92/474207692.db2.gz XUDBRRYIZXEWBM-OCCSQVGLSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[C@H](O)C3)cs2)c1 ZINC000188846930 474214519 /nfs/dbraw/zinc/21/45/19/474214519.db2.gz XAJNOTXOSKWBHV-ABAIWWIYSA-N 1 0 333.413 2.969 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289331834 474226278 /nfs/dbraw/zinc/22/62/78/474226278.db2.gz VSUXXMIIVFKPBY-MRXNPFEDSA-N 1 0 335.429 2.532 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000282927199 474243799 /nfs/dbraw/zinc/24/37/99/474243799.db2.gz WYLSIRGVPRYTFC-CJNGLKHVSA-N 1 0 349.431 2.796 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000282927207 474244357 /nfs/dbraw/zinc/24/43/57/474244357.db2.gz WYLSIRGVPRYTFC-CZUORRHYSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000188962323 474246276 /nfs/dbraw/zinc/24/62/76/474246276.db2.gz JVQGIEPQLUMRKU-UONOGXRCSA-N 1 0 335.404 2.514 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248031063 474248513 /nfs/dbraw/zinc/24/85/13/474248513.db2.gz QJLLBKVLDWZMFM-XHDPSFHLSA-N 1 0 337.807 2.805 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000228560529 474249433 /nfs/dbraw/zinc/24/94/33/474249433.db2.gz GUJQFLFBJXMLNY-JTQLQIEISA-N 1 0 339.149 2.832 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248075444 474257623 /nfs/dbraw/zinc/25/76/23/474257623.db2.gz MXHHNQBQCBIDAY-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000189016059 474265812 /nfs/dbraw/zinc/26/58/12/474265812.db2.gz JZOMIRTWUDVWNQ-UHFFFAOYSA-N 1 0 347.415 2.516 20 5 EFBDRO CCN(CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289428076 474266222 /nfs/dbraw/zinc/26/62/22/474266222.db2.gz KDWMDGOJGSAEOU-UHFFFAOYSA-N 1 0 345.447 2.769 20 5 EFBDRO COCCc1noc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000182845035 474270169 /nfs/dbraw/zinc/27/01/69/474270169.db2.gz ZRWDGJWNIMBXII-GFCCVEGCSA-N 1 0 334.376 2.668 20 5 EFBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000248146037 474270325 /nfs/dbraw/zinc/27/03/25/474270325.db2.gz VWJUBLXOSXJLCC-CYBMUJFWSA-N 1 0 345.428 2.889 20 5 EFBDRO CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000248148793 474271015 /nfs/dbraw/zinc/27/10/15/474271015.db2.gz FWXYTAITRBXPMC-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CN(CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000289444463 474273910 /nfs/dbraw/zinc/27/39/10/474273910.db2.gz MGVLGKARDYBASS-SOFGYWHQSA-N 1 0 346.475 2.566 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000189066882 474279039 /nfs/dbraw/zinc/27/90/39/474279039.db2.gz YAAHMHHQLFGCBG-UHFFFAOYSA-N 1 0 331.416 2.886 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175679693 474281452 /nfs/dbraw/zinc/28/14/52/474281452.db2.gz NHTFOPIGUBRPEN-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000608782115 480093382 /nfs/dbraw/zinc/09/33/82/480093382.db2.gz QJOXSEUTBCTAFK-UHFFFAOYSA-N 1 0 344.371 2.507 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265656587 474285337 /nfs/dbraw/zinc/28/53/37/474285337.db2.gz NKYWVDUQVLFDIW-CQSZACIVSA-N 1 0 335.379 2.824 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000283109013 474305961 /nfs/dbraw/zinc/30/59/61/474305961.db2.gz MKRAAETVVACUPK-CYBMUJFWSA-N 1 0 335.404 2.596 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000283109016 474306714 /nfs/dbraw/zinc/30/67/14/474306714.db2.gz MKRAAETVVACUPK-ZDUSSCGKSA-N 1 0 335.404 2.596 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000289540488 474314628 /nfs/dbraw/zinc/31/46/28/474314628.db2.gz DNMNQBJUJXDWKQ-MFKMUULPSA-N 1 0 338.795 2.806 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000289540490 474315454 /nfs/dbraw/zinc/31/54/54/474315454.db2.gz DNMNQBJUJXDWKQ-ZWNOBZJWSA-N 1 0 338.795 2.806 20 5 EFBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000175820852 474316302 /nfs/dbraw/zinc/31/63/02/474316302.db2.gz LLMSXZMKKJJZQJ-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]21 ZINC000248437618 474322615 /nfs/dbraw/zinc/32/26/15/474322615.db2.gz SOVYYXCVYHLGIG-RPVQJOFSSA-N 1 0 343.427 2.994 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000275814533 474327435 /nfs/dbraw/zinc/32/74/35/474327435.db2.gz VXUSFRPWIMPCPW-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457609 474330655 /nfs/dbraw/zinc/33/06/55/474330655.db2.gz MMJBCWIEZYNKSP-GDBMZVCRSA-N 1 0 345.399 2.510 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289588426 474335912 /nfs/dbraw/zinc/33/59/12/474335912.db2.gz IFORYXVDERPTIE-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175902991 474336201 /nfs/dbraw/zinc/33/62/01/474336201.db2.gz PKQMGBHCCFGEDU-SNPRPXQTSA-N 1 0 334.420 2.828 20 5 EFBDRO COc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275841618 474337502 /nfs/dbraw/zinc/33/75/02/474337502.db2.gz MKYFJPQHPQZCPD-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183174668 474344223 /nfs/dbraw/zinc/34/42/23/474344223.db2.gz PLVPDFWUUMHFLZ-UHFFFAOYSA-N 1 0 345.346 2.608 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000270988861 474354421 /nfs/dbraw/zinc/35/44/21/474354421.db2.gz BAFLBPDUACDISG-UHFFFAOYSA-N 1 0 349.431 2.860 20 5 EFBDRO CCOC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356715 474369709 /nfs/dbraw/zinc/36/97/09/474369709.db2.gz XBQQRNXADSSBOI-BBRMVZONSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248599394 474372033 /nfs/dbraw/zinc/37/20/33/474372033.db2.gz UPUCEFQMPZINBI-YNEHKIRRSA-N 1 0 337.395 2.826 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000237333844 474384138 /nfs/dbraw/zinc/38/41/38/474384138.db2.gz ICBBZDWAGOSSBU-CQSZACIVSA-N 1 0 337.445 2.954 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000189398373 474384953 /nfs/dbraw/zinc/38/49/53/474384953.db2.gz IBFVSQWIPFBUMB-SQWLQELKSA-N 1 0 333.432 2.762 20 5 EFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237340715 474385126 /nfs/dbraw/zinc/38/51/26/474385126.db2.gz OSTKOHJGFPJBBD-CYBMUJFWSA-N 1 0 342.399 2.924 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000271053642 474386452 /nfs/dbraw/zinc/38/64/52/474386452.db2.gz UGRJVIMXOXOWCF-MYSGNRETSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000176126946 474390095 /nfs/dbraw/zinc/39/00/95/474390095.db2.gz PNILHWGXUBTCTA-UKRRQHHQSA-N 1 0 343.383 2.971 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283393438 474390489 /nfs/dbraw/zinc/39/04/89/474390489.db2.gz USFCKJQOPNVSGL-HOTGVXAUSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189424608 474391722 /nfs/dbraw/zinc/39/17/22/474391722.db2.gz WIQHBWZATFCPBA-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)CCOC ZINC000271072636 474397526 /nfs/dbraw/zinc/39/75/26/474397526.db2.gz FOOJIYGQBSUMFO-XJKSGUPXSA-N 1 0 342.461 2.843 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CC(C)C ZINC000183602196 474398249 /nfs/dbraw/zinc/39/82/49/474398249.db2.gz AYAXAFOIIKVHKC-CYBMUJFWSA-N 1 0 337.424 2.868 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000289728827 474398635 /nfs/dbraw/zinc/39/86/35/474398635.db2.gz IUHXXBLJXCVURW-CYBMUJFWSA-N 1 0 334.420 2.963 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000176197059 474406560 /nfs/dbraw/zinc/40/65/60/474406560.db2.gz BACGPOKQYWSNME-CYBMUJFWSA-N 1 0 336.417 2.534 20 5 EFBDRO COC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000276066887 474406730 /nfs/dbraw/zinc/40/67/30/474406730.db2.gz RZGHYHQPCLXVCT-TZMCWYRMSA-N 1 0 331.372 2.692 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176198051 474406949 /nfs/dbraw/zinc/40/69/49/474406949.db2.gz SCDHFTGMKCOVPS-HNNXBMFYSA-N 1 0 346.387 2.646 20 5 EFBDRO CCCNC(=O)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271159313 474410759 /nfs/dbraw/zinc/41/07/59/474410759.db2.gz RUUWQBMHWAMHOC-LBPRGKRZSA-N 1 0 325.434 2.581 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000176211209 474411078 /nfs/dbraw/zinc/41/10/78/474411078.db2.gz PMARYQFHSFAYRK-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283470425 474411032 /nfs/dbraw/zinc/41/10/32/474411032.db2.gz IOTUXLWSPZHBSQ-AWEZNQCLSA-N 1 0 337.395 2.862 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248714583 474412432 /nfs/dbraw/zinc/41/24/32/474412432.db2.gz BSTKBIWUBHPLFN-FVQBIDKESA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@H](CF)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289760975 474414782 /nfs/dbraw/zinc/41/47/82/474414782.db2.gz IDDWCSHYCVRFGU-SSDOTTSWSA-N 1 0 338.120 2.647 20 5 EFBDRO C[C@@H](CF)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289760979 474415064 /nfs/dbraw/zinc/41/50/64/474415064.db2.gz IDDWCSHYCVRFGU-ZETCQYMHSA-N 1 0 338.120 2.647 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237500301 474418824 /nfs/dbraw/zinc/41/88/24/474418824.db2.gz VXVHJYHWVXYLMC-PWSUYJOCSA-N 1 0 346.412 2.670 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237529885 474423988 /nfs/dbraw/zinc/42/39/88/474423988.db2.gz VXVHJYHWVXYLMC-JQWIXIFHSA-N 1 0 346.412 2.670 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266307702 474429058 /nfs/dbraw/zinc/42/90/58/474429058.db2.gz MCVYJEIPGREEEN-INIZCTEOSA-N 1 0 333.432 2.815 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271186557 474429359 /nfs/dbraw/zinc/42/93/59/474429359.db2.gz KFEMGQZQLBOLMI-KRWDZBQOSA-N 1 0 336.388 2.588 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C[NH2+]1 ZINC000237588908 474434521 /nfs/dbraw/zinc/43/45/21/474434521.db2.gz MFVMIMPBBNCUNG-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000283604115 474446914 /nfs/dbraw/zinc/44/69/14/474446914.db2.gz YSUZRIGHSKEHPP-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000266730753 474462724 /nfs/dbraw/zinc/46/27/24/474462724.db2.gz NXNDGWRMYKNGSP-UHFFFAOYSA-N 1 0 337.395 2.815 20 5 EFBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@@H]1CCCO1 ZINC000289877209 474465553 /nfs/dbraw/zinc/46/55/53/474465553.db2.gz RQFOOIPKOJDAIF-RDJZCZTQSA-N 1 0 348.399 2.851 20 5 EFBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1[C@H]1CCCO1 ZINC000289877216 474465743 /nfs/dbraw/zinc/46/57/43/474465743.db2.gz RQFOOIPKOJDAIF-WBVHZDCISA-N 1 0 348.399 2.851 20 5 EFBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@H]1CCCO1 ZINC000289877205 474466525 /nfs/dbraw/zinc/46/65/25/474466525.db2.gz RQFOOIPKOJDAIF-NVXWUHKLSA-N 1 0 348.399 2.851 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881896 474469784 /nfs/dbraw/zinc/46/97/84/474469784.db2.gz RJNRLGJUPCMOAZ-SNVBAGLBSA-N 1 0 328.315 2.938 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH+](C)C ZINC000271290402 474477460 /nfs/dbraw/zinc/47/74/60/474477460.db2.gz DYASYXPOHBEWFO-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1cnn([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289910529 474481713 /nfs/dbraw/zinc/48/17/13/474481713.db2.gz NXYMNEWUUFRIJU-INIZCTEOSA-N 1 0 330.388 2.816 20 5 EFBDRO [NH3+]C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000237819609 474481911 /nfs/dbraw/zinc/48/19/11/474481911.db2.gz KNRHCCUZUCXKFI-UHFFFAOYSA-N 1 0 334.420 2.565 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000276304128 474489250 /nfs/dbraw/zinc/48/92/50/474489250.db2.gz YMFGBLCDOHUWFC-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000276308304 474490096 /nfs/dbraw/zinc/49/00/96/474490096.db2.gz DUVFCINZYBJJLU-UHFFFAOYSA-N 1 0 326.372 2.930 20 5 EFBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](CO)O1 ZINC000248954325 474490942 /nfs/dbraw/zinc/49/09/42/474490942.db2.gz FPINQBLZYMXEJL-STQMWFEESA-N 1 0 348.424 2.905 20 5 EFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248997799 474503138 /nfs/dbraw/zinc/50/31/38/474503138.db2.gz PKWKVCIVIAJYOG-MJGOQNOKSA-N 1 0 347.459 2.919 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237925627 474505336 /nfs/dbraw/zinc/50/53/36/474505336.db2.gz VGWOVOQSMPDULR-INIZCTEOSA-N 1 0 330.388 2.654 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283839475 474508496 /nfs/dbraw/zinc/50/84/96/474508496.db2.gz AWQDWESCJRVANW-MNOVXSKESA-N 1 0 346.353 2.712 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000283851841 474512563 /nfs/dbraw/zinc/51/25/63/474512563.db2.gz HBFSMAIPMFVJSJ-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176672945 474515640 /nfs/dbraw/zinc/51/56/40/474515640.db2.gz ULZAOSMGDDORJI-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000176687645 474516964 /nfs/dbraw/zinc/51/69/64/474516964.db2.gz MJOLBCWXQWBXRT-HZPDHXFCSA-N 1 0 332.404 2.536 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176747169 474524906 /nfs/dbraw/zinc/52/49/06/474524906.db2.gz QMWWKMDNSQPQRU-DZGCQCFKSA-N 1 0 334.420 2.700 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238033385 474525719 /nfs/dbraw/zinc/52/57/19/474525719.db2.gz ROWBEDSRMSHFFG-VMPITWQZSA-N 1 0 329.400 2.599 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000266916636 474528332 /nfs/dbraw/zinc/52/83/32/474528332.db2.gz GLQUZPQOTYSWRY-OAHLLOKOSA-N 1 0 346.387 2.646 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000276409631 474532698 /nfs/dbraw/zinc/53/26/98/474532698.db2.gz HTROILYCXFXTGP-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC000283947857 474533559 /nfs/dbraw/zinc/53/35/59/474533559.db2.gz LCTCYBXYPDGUPP-GFCCVEGCSA-N 1 0 338.383 2.848 20 5 EFBDRO CCC[N@@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000184511657 474533884 /nfs/dbraw/zinc/53/38/84/474533884.db2.gz CHNAVJCZMYFRKC-UHFFFAOYSA-N 1 0 335.429 2.773 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249131815 474534877 /nfs/dbraw/zinc/53/48/77/474534877.db2.gz LYJNBCCRVUJYOO-DGCLKSJQSA-N 1 0 337.445 2.729 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000276421549 474536736 /nfs/dbraw/zinc/53/67/36/474536736.db2.gz QMTBKDBSFBBCME-UHFFFAOYSA-N 1 0 341.411 2.558 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290046316 474539357 /nfs/dbraw/zinc/53/93/57/474539357.db2.gz GXYZGEHESXSSGA-CYBMUJFWSA-N 1 0 343.383 2.803 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271478677 474564451 /nfs/dbraw/zinc/56/44/51/474564451.db2.gz LMJVVHDQDOUQKG-KGLIPLIRSA-N 1 0 344.415 2.900 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000284086940 474568259 /nfs/dbraw/zinc/56/82/59/474568259.db2.gz RTGSDBJIXMLACK-UHFFFAOYSA-N 1 0 338.795 2.808 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000284114938 474576368 /nfs/dbraw/zinc/57/63/68/474576368.db2.gz TYHAHLVUGYHLPJ-LBPRGKRZSA-N 1 0 338.383 2.848 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000184693725 474586956 /nfs/dbraw/zinc/58/69/56/474586956.db2.gz BWPGISKUIOQUCG-INIZCTEOSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249527282 474587237 /nfs/dbraw/zinc/58/72/37/474587237.db2.gz VBRNYCJDXQTIHH-MBNYWOFBSA-N 1 0 335.404 2.956 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000267111858 474593685 /nfs/dbraw/zinc/59/36/85/474593685.db2.gz RGKIKDUBCSBKMX-OAHLLOKOSA-N 1 0 325.434 2.590 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000184726513 474595164 /nfs/dbraw/zinc/59/51/64/474595164.db2.gz YNUFVKBYAWQNNL-WMZOPIPTSA-N 1 0 345.443 2.860 20 5 EFBDRO COc1ccc([C@H](C[NH+](C)C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000284209275 474596485 /nfs/dbraw/zinc/59/64/85/474596485.db2.gz ZKOFREDQILRROV-SFHVURJKSA-N 1 0 329.400 2.996 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249692175 474604679 /nfs/dbraw/zinc/60/46/79/474604679.db2.gz VJVGGQPYNGYXLE-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO CNC(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267177245 474609477 /nfs/dbraw/zinc/60/94/77/474609477.db2.gz JPNHZTLJJVGWRU-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)CCCOc1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000609132849 480115511 /nfs/dbraw/zinc/11/55/11/480115511.db2.gz RRFNFBFGXOBOIG-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000267202931 474617244 /nfs/dbraw/zinc/61/72/44/474617244.db2.gz JSENYUZNWDGNLR-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267208403 474617800 /nfs/dbraw/zinc/61/78/00/474617800.db2.gz QBOFFMLTXGMQQH-UHFFFAOYSA-N 1 0 342.827 2.580 20 5 EFBDRO COc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000272872858 474630489 /nfs/dbraw/zinc/63/04/89/474630489.db2.gz VCMCHSBVOFBMKS-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000291615640 474632935 /nfs/dbraw/zinc/63/29/35/474632935.db2.gz SWPVXBPQLCOISG-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000272881981 474633538 /nfs/dbraw/zinc/63/35/38/474633538.db2.gz XAZDIILWFUBMFY-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO CC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272916759 474640799 /nfs/dbraw/zinc/64/07/99/474640799.db2.gz HUUFZJUKEWAEJV-UHFFFAOYSA-N 1 0 326.418 2.537 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000267299012 474641846 /nfs/dbraw/zinc/64/18/46/474641846.db2.gz PRAZELSJLBPHDZ-STQMWFEESA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000267305818 474643785 /nfs/dbraw/zinc/64/37/85/474643785.db2.gz RNLGUYQFKJECFF-GJZGRUSLSA-N 1 0 344.415 2.539 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272954354 474650052 /nfs/dbraw/zinc/65/00/52/474650052.db2.gz QSGHIEMVUXKSAZ-CHWSQXEVSA-N 1 0 326.418 2.537 20 5 EFBDRO Cc1cnc(NC2CCN(c3cc(C)nc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000267351653 474655588 /nfs/dbraw/zinc/65/55/88/474655588.db2.gz GLGSCCMCKXRHNK-UHFFFAOYSA-N 1 0 342.403 2.786 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000291711595 474655668 /nfs/dbraw/zinc/65/56/68/474655668.db2.gz GKQBANXONXKZLC-HNNXBMFYSA-N 1 0 338.795 2.808 20 5 EFBDRO C[C@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000267366338 474659614 /nfs/dbraw/zinc/65/96/14/474659614.db2.gz JBGQYQSMTRRHLC-GJZGRUSLSA-N 1 0 348.447 2.706 20 5 EFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278493231 474660175 /nfs/dbraw/zinc/66/01/75/474660175.db2.gz LTTYPDDQTQSDPR-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278506390 474667824 /nfs/dbraw/zinc/66/78/24/474667824.db2.gz XSKCLVHPNNBURL-JTQLQIEISA-N 1 0 332.326 2.787 20 5 EFBDRO COc1cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000273034627 474682753 /nfs/dbraw/zinc/68/27/53/474682753.db2.gz GXIYWWULUWGZNL-OLZOCXBDSA-N 1 0 338.404 2.907 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000291796129 474691665 /nfs/dbraw/zinc/69/16/65/474691665.db2.gz AHDBNTHIBFNIJI-YOEHRIQHSA-N 1 0 334.416 2.845 20 5 EFBDRO COCC1(CC[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000292881165 474692491 /nfs/dbraw/zinc/69/24/91/474692491.db2.gz DYGJPQJETBDCNW-UHFFFAOYSA-N 1 0 338.404 2.908 20 5 EFBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO[C@H]1C1CC1 ZINC000273052908 474692575 /nfs/dbraw/zinc/69/25/75/474692575.db2.gz KTVGKAWZWZGSHQ-IRXDYDNUSA-N 1 0 334.372 2.509 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000252656462 474703695 /nfs/dbraw/zinc/70/36/95/474703695.db2.gz GLAPRCLMQVJYJA-OFTJQPPSSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154137 474706557 /nfs/dbraw/zinc/70/65/57/474706557.db2.gz VEIJFRYGTQOART-STQMWFEESA-N 1 0 349.456 2.896 20 5 EFBDRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000305154134 474707058 /nfs/dbraw/zinc/70/70/58/474707058.db2.gz VEIJFRYGTQOART-CHWSQXEVSA-N 1 0 349.456 2.896 20 5 EFBDRO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278570744 474711193 /nfs/dbraw/zinc/71/11/93/474711193.db2.gz XILFHMFGYMBZEM-QGZVFWFLSA-N 1 0 333.432 2.890 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284663345 474712849 /nfs/dbraw/zinc/71/28/49/474712849.db2.gz GOHMJIIVAACFBR-ZBFHGGJFSA-N 1 0 336.388 2.626 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000292926799 474718751 /nfs/dbraw/zinc/71/87/51/474718751.db2.gz CEDGFPAFVKDZBZ-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000305275786 474725355 /nfs/dbraw/zinc/72/53/55/474725355.db2.gz AVFOQBKFVNMJOD-HNNXBMFYSA-N 1 0 334.347 2.606 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344413628 474730701 /nfs/dbraw/zinc/73/07/01/474730701.db2.gz DTVBFKIIWOAXKF-BETUJISGSA-N 1 0 346.431 2.724 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291897146 474740306 /nfs/dbraw/zinc/74/03/06/474740306.db2.gz PNLWWYFFPHBZIL-CYBMUJFWSA-N 1 0 336.436 2.859 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000344421296 474740601 /nfs/dbraw/zinc/74/06/01/474740601.db2.gz KWUQHWIZRSWILO-CHWSQXEVSA-N 1 0 344.415 2.560 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000292982165 474746238 /nfs/dbraw/zinc/74/62/38/474746238.db2.gz HRWRFOXDYDKCEQ-QGZVFWFLSA-N 1 0 349.431 2.979 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000292982164 474747494 /nfs/dbraw/zinc/74/74/94/474747494.db2.gz HRWRFOXDYDKCEQ-KRWDZBQOSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338942932 474758961 /nfs/dbraw/zinc/75/89/61/474758961.db2.gz ZXJJTZVOMJZSGJ-UHFFFAOYSA-N 1 0 334.294 2.999 20 5 EFBDRO C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1)C1CC1 ZINC000340895645 474759390 /nfs/dbraw/zinc/75/93/90/474759390.db2.gz ZTQWGIDAXHDPMB-UHFFFAOYSA-N 1 0 328.372 2.812 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](CO)CC3)o2)c1 ZINC000293004884 474760685 /nfs/dbraw/zinc/76/06/85/474760685.db2.gz DEFIBAPFJBSFCL-AWEZNQCLSA-N 1 0 345.399 2.887 20 5 EFBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000338951915 474770446 /nfs/dbraw/zinc/77/04/46/474770446.db2.gz WILFGQICFYDPJJ-KRWDZBQOSA-N 1 0 330.384 2.775 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000340909466 474770581 /nfs/dbraw/zinc/77/05/81/474770581.db2.gz ROMFFHOHSXALKQ-UHFFFAOYSA-N 1 0 344.419 2.591 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000254886583 474774331 /nfs/dbraw/zinc/77/43/31/474774331.db2.gz XWBYEEAFNAAQNK-HYXAFXHYSA-N 1 0 327.388 2.612 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291978343 474784666 /nfs/dbraw/zinc/78/46/66/474784666.db2.gz QOGWLYWMEKXJCP-MRVPVSSYSA-N 1 0 334.203 2.972 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000340925862 474785232 /nfs/dbraw/zinc/78/52/32/474785232.db2.gz VKVBCAWGSDOXKM-AWEZNQCLSA-N 1 0 325.384 2.830 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273242890 474798155 /nfs/dbraw/zinc/79/81/55/474798155.db2.gz UDBOPGPCMIVGOG-INIZCTEOSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000340940346 474799728 /nfs/dbraw/zinc/79/97/28/474799728.db2.gz RBCPWAWBLIOMOC-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000337236136 474810396 /nfs/dbraw/zinc/81/03/96/474810396.db2.gz CBRHOVDSMLAHKA-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000278757384 474817339 /nfs/dbraw/zinc/81/73/39/474817339.db2.gz KKIXZQTUWUZWPX-IOASZLSFSA-N 1 0 340.445 2.595 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000278757395 474817555 /nfs/dbraw/zinc/81/75/55/474817555.db2.gz KKIXZQTUWUZWPX-ZENOOKHLSA-N 1 0 340.445 2.595 20 5 EFBDRO COCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273295418 474828271 /nfs/dbraw/zinc/82/82/71/474828271.db2.gz NEHNKMPLGSDIGM-HOTGVXAUSA-N 1 0 334.372 2.897 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255305693 474830474 /nfs/dbraw/zinc/83/04/74/474830474.db2.gz BLGGPFCUOJHJRF-BSDKJSHOSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284934108 474831060 /nfs/dbraw/zinc/83/10/60/474831060.db2.gz DNUPIHWGSABZGP-NSHDSACASA-N 1 0 329.356 2.799 20 5 EFBDRO O=C(NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000255321973 474833898 /nfs/dbraw/zinc/83/38/98/474833898.db2.gz JIOKEETXAOEWDL-HYXAFXHYSA-N 1 0 329.400 2.599 20 5 EFBDRO COCCn1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000337258790 474834984 /nfs/dbraw/zinc/83/49/84/474834984.db2.gz ORQAKDPPILUPBY-ZSOIEALJSA-N 1 0 330.388 2.631 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000311234512 474836715 /nfs/dbraw/zinc/83/67/15/474836715.db2.gz SLBCGGJUCLRICT-IAGOWNOFSA-N 1 0 338.411 2.948 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293153087 474842097 /nfs/dbraw/zinc/84/20/97/474842097.db2.gz BYKYGPCIKGKSDR-KSSFIOAISA-N 1 0 346.431 2.701 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)C1CCC1 ZINC000345045912 474842259 /nfs/dbraw/zinc/84/22/59/474842259.db2.gz ZNUDHAMELIMPTO-SDNWHVSQSA-N 1 0 331.416 2.894 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)C1CCC1 ZINC000345045911 474842549 /nfs/dbraw/zinc/84/25/49/474842549.db2.gz ZNUDHAMELIMPTO-KAMYIIQDSA-N 1 0 331.416 2.894 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293163854 474847311 /nfs/dbraw/zinc/84/73/11/474847311.db2.gz COKBSBROJVBACR-ZIAGYGMSSA-N 1 0 340.445 2.721 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000313369783 474856975 /nfs/dbraw/zinc/85/69/75/474856975.db2.gz GMFIEWQSNAYMBL-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO CC(C)(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000339035522 474862759 /nfs/dbraw/zinc/86/27/59/474862759.db2.gz XREARGRYFCYRRB-LLVKDONJSA-N 1 0 333.310 2.603 20 5 EFBDRO Cc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278843508 474867175 /nfs/dbraw/zinc/86/71/75/474867175.db2.gz ZXOBSDOYNOPNJC-HNNXBMFYSA-N 1 0 333.432 2.588 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000268230857 474874708 /nfs/dbraw/zinc/87/47/08/474874708.db2.gz QAZAZIMIAXCGIZ-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054154 474876146 /nfs/dbraw/zinc/87/61/46/474876146.db2.gz IOICPUPBQJLQJC-JSGCOSHPSA-N 1 0 335.404 2.903 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000268237771 474881274 /nfs/dbraw/zinc/88/12/74/474881274.db2.gz QUZWLWZKSDIAIU-ZDUSSCGKSA-N 1 0 344.415 2.784 20 5 EFBDRO Cn1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000337307468 474881580 /nfs/dbraw/zinc/88/15/80/474881580.db2.gz WNEWUZFOOIHBLG-UHFFFAOYSA-N 1 0 348.447 2.662 20 5 EFBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000292164001 474881761 /nfs/dbraw/zinc/88/17/61/474881761.db2.gz DHJJQDQPRYYDOQ-NSHDSACASA-N 1 0 347.444 2.910 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000273409267 474882474 /nfs/dbraw/zinc/88/24/74/474882474.db2.gz HNZXJWBZFPKISR-KRWDZBQOSA-N 1 0 341.415 2.794 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268241753 474883105 /nfs/dbraw/zinc/88/31/05/474883105.db2.gz VELVVWIBTZHOCX-BFQNTYOBSA-N 1 0 349.456 2.674 20 5 EFBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCCO2 ZINC000341026970 474892224 /nfs/dbraw/zinc/89/22/24/474892224.db2.gz YMOKHPWONSZMRK-MRXNPFEDSA-N 1 0 346.387 2.586 20 5 EFBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+](C2CCC2)C1 ZINC000292186916 474894384 /nfs/dbraw/zinc/89/43/84/474894384.db2.gz FTNNTDAVSNCKLR-ZDUSSCGKSA-N 1 0 330.432 2.873 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000337324279 474898486 /nfs/dbraw/zinc/89/84/86/474898486.db2.gz UGAPSIBHYFQBHN-UHFFFAOYSA-N 1 0 343.383 2.804 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268272280 474899168 /nfs/dbraw/zinc/89/91/68/474899168.db2.gz SZVFVXGAUNUAIR-MRXNPFEDSA-N 1 0 332.448 2.591 20 5 EFBDRO Cc1cc(NCC[NH+]2CCSCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345114998 474904365 /nfs/dbraw/zinc/90/43/65/474904365.db2.gz NOTNRZLNXVICTJ-UHFFFAOYSA-N 1 0 332.429 2.912 20 5 EFBDRO CC(C)Cn1ccnc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255794023 474904875 /nfs/dbraw/zinc/90/48/75/474904875.db2.gz PJOIYHLPTLCKJP-YVMONPNESA-N 1 0 328.372 2.777 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000273451888 474905526 /nfs/dbraw/zinc/90/55/26/474905526.db2.gz CVBNGTJTOLGCII-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273451884 474905975 /nfs/dbraw/zinc/90/59/75/474905975.db2.gz CVBNGTJTOLGCII-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000285148914 474906761 /nfs/dbraw/zinc/90/67/61/474906761.db2.gz MDHIRWCANJRSGZ-ZDUSSCGKSA-N 1 0 348.447 2.865 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268285388 474907271 /nfs/dbraw/zinc/90/72/71/474907271.db2.gz XGMBXSMKGPZVHO-CQSZACIVSA-N 1 0 325.796 2.739 20 5 EFBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293289420 474910433 /nfs/dbraw/zinc/91/04/33/474910433.db2.gz OQZRJEOVOIJRBQ-UHFFFAOYSA-N 1 0 329.784 2.591 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000255901182 474916817 /nfs/dbraw/zinc/91/68/17/474916817.db2.gz AWSKYMLFKSGNOK-PTRZUZADSA-N 1 0 331.416 2.797 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000278928923 474922639 /nfs/dbraw/zinc/92/26/39/474922639.db2.gz XEPAPWHIAAZJPY-HNNXBMFYSA-N 1 0 333.388 2.789 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000337364203 474939833 /nfs/dbraw/zinc/93/98/33/474939833.db2.gz MFMQUYWVKYQTJD-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000268365387 474942845 /nfs/dbraw/zinc/94/28/45/474942845.db2.gz LASSZIPNEBVBCX-MEDUHNTESA-N 1 0 330.388 2.535 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCCCO ZINC000278960027 474942856 /nfs/dbraw/zinc/94/28/56/474942856.db2.gz WRQKSWLDIPZYJL-GFCCVEGCSA-N 1 0 334.376 2.800 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000345160413 474948628 /nfs/dbraw/zinc/94/86/28/474948628.db2.gz JDNHQBNYNAKGCU-RYUDHWBXSA-N 1 0 331.376 2.564 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000345160414 474949071 /nfs/dbraw/zinc/94/90/71/474949071.db2.gz JDNHQBNYNAKGCU-VXGBXAGGSA-N 1 0 331.376 2.564 20 5 EFBDRO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000339130923 474959728 /nfs/dbraw/zinc/95/97/28/474959728.db2.gz QFASPXZNMHNLNH-CQSZACIVSA-N 1 0 348.321 2.899 20 5 EFBDRO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000339130920 474960266 /nfs/dbraw/zinc/96/02/66/474960266.db2.gz QFASPXZNMHNLNH-AWEZNQCLSA-N 1 0 348.321 2.899 20 5 EFBDRO C[C@@H]1C[C@H](C)CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285335662 474977201 /nfs/dbraw/zinc/97/72/01/474977201.db2.gz OHZZKEBGZUCIEN-GASCZTMLSA-N 1 0 333.432 2.574 20 5 EFBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292357105 474980621 /nfs/dbraw/zinc/98/06/21/474980621.db2.gz QCYFKCFUMYWZEI-OAHLLOKOSA-N 1 0 333.432 2.780 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)C1 ZINC000292361998 474983146 /nfs/dbraw/zinc/98/31/46/474983146.db2.gz RKQKGQBCQGEKCN-OAHLLOKOSA-N 1 0 327.331 2.728 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000273601634 474984130 /nfs/dbraw/zinc/98/41/30/474984130.db2.gz JOXFZZHCQFNTIT-INIZCTEOSA-N 1 0 345.403 2.888 20 5 EFBDRO COc1ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1[N+](=O)[O-] ZINC000268450824 474985858 /nfs/dbraw/zinc/98/58/58/474985858.db2.gz IIQAYTJYGBWUHF-UHFFFAOYSA-N 1 0 336.388 2.578 20 5 EFBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCSCC3)c2)nc1 ZINC000273606578 474988463 /nfs/dbraw/zinc/98/84/63/474988463.db2.gz KQRQCMDFGNNZTJ-UHFFFAOYSA-N 1 0 331.401 2.677 20 5 EFBDRO [NH3+]C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000261601564 474989547 /nfs/dbraw/zinc/98/95/47/474989547.db2.gz QFKBHNNDNGLOAW-UHFFFAOYSA-N 1 0 329.198 2.826 20 5 EFBDRO CCC[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810942 474994439 /nfs/dbraw/zinc/99/44/39/474994439.db2.gz KDIYOUJVTFONGM-BZSNNMDCSA-N 1 0 333.432 2.889 20 5 EFBDRO CC[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000325992585 474998719 /nfs/dbraw/zinc/99/87/19/474998719.db2.gz GXQXXRHYYIKSRO-UHFFFAOYSA-N 1 0 332.404 2.623 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2N1 ZINC000326024290 474999402 /nfs/dbraw/zinc/99/94/02/474999402.db2.gz QQEUUWFCELAYIH-STQMWFEESA-N 1 0 330.388 2.518 20 5 EFBDRO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000285387352 475001617 /nfs/dbraw/zinc/00/16/17/475001617.db2.gz DBEKELKYIWKUEP-BELGNNRLSA-N 1 0 347.415 2.813 20 5 EFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000261632807 475003023 /nfs/dbraw/zinc/00/30/23/475003023.db2.gz BBLNAXGUPYVQAW-GOSISDBHSA-N 1 0 339.395 2.944 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000326393526 475003113 /nfs/dbraw/zinc/00/31/13/475003113.db2.gz OUKNCXQQSIVPNI-UHFFFAOYSA-N 1 0 327.340 2.524 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261652995 475010684 /nfs/dbraw/zinc/01/06/84/475010684.db2.gz FKEHZZDSGNMRIW-AWEZNQCLSA-N 1 0 337.807 2.852 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000326710627 475011013 /nfs/dbraw/zinc/01/10/13/475011013.db2.gz XHILQCKSXUKLKY-ZPMKCOPCSA-N 1 0 344.396 2.519 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000339183828 475015781 /nfs/dbraw/zinc/01/57/81/475015781.db2.gz UMOGPXUMJYEEPA-LSDHHAIUSA-N 1 0 348.447 2.633 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000261668750 475017841 /nfs/dbraw/zinc/01/78/41/475017841.db2.gz HMQUVUBWKSUIJX-CJNGLKHVSA-N 1 0 343.358 2.548 20 5 EFBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273716070 475024743 /nfs/dbraw/zinc/02/47/43/475024743.db2.gz FYHPVPIARIFFFZ-INIZCTEOSA-N 1 0 343.387 2.642 20 5 EFBDRO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000261711765 475035354 /nfs/dbraw/zinc/03/53/54/475035354.db2.gz PTDLIFYDKMKAHD-INIZCTEOSA-N 1 0 325.368 2.520 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261708921 475035948 /nfs/dbraw/zinc/03/59/48/475035948.db2.gz KGQXENVCDAMPLD-QAPCUYQASA-N 1 0 339.395 2.718 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000261764307 475055362 /nfs/dbraw/zinc/05/53/62/475055362.db2.gz OJDXXZZNEUWJOU-SFHVURJKSA-N 1 0 345.374 2.759 20 5 EFBDRO COCC1(CNc2ccc([N+](=O)[O-])c3cnccc23)CC[NH2+]CC1 ZINC000261770548 475057459 /nfs/dbraw/zinc/05/74/59/475057459.db2.gz WVHRZRIXNCQZIU-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261816105 475072768 /nfs/dbraw/zinc/07/27/68/475072768.db2.gz QEHAUOWBGZYMTD-UHFFFAOYSA-N 1 0 343.387 2.973 20 5 EFBDRO Cn1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000345312412 475084920 /nfs/dbraw/zinc/08/49/20/475084920.db2.gz ZBQYJNJCVMVVKK-MRXNPFEDSA-N 1 0 342.399 2.500 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000341492086 475087594 /nfs/dbraw/zinc/08/75/94/475087594.db2.gz WEKICYKNPWXHKN-ZDUSSCGKSA-N 1 0 329.404 2.966 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000287138140 475094355 /nfs/dbraw/zinc/09/43/55/475094355.db2.gz YALCRDHMGRPILV-QAPCUYQASA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000287138142 475095443 /nfs/dbraw/zinc/09/54/43/475095443.db2.gz YALCRDHMGRPILV-YJBOKZPZSA-N 1 0 333.432 2.922 20 5 EFBDRO COc1cc(CN(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000281178069 475102894 /nfs/dbraw/zinc/10/28/94/475102894.db2.gz AREZKYWXGRJGBZ-UHFFFAOYSA-N 1 0 325.384 2.660 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273898815 475108060 /nfs/dbraw/zinc/10/80/60/475108060.db2.gz XBSRSUXBPQZROV-UHFFFAOYSA-N 1 0 339.411 2.860 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CCO)CCCC1 ZINC000268990522 475113994 /nfs/dbraw/zinc/11/39/94/475113994.db2.gz RICSEIISNIQBPA-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000341528402 475115383 /nfs/dbraw/zinc/11/53/83/475115383.db2.gz RIONCWSYQDWNOQ-INIZCTEOSA-N 1 0 348.447 2.862 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292625660 475122899 /nfs/dbraw/zinc/12/28/99/475122899.db2.gz OUUQBJLGPZLJMH-IUODEOHRSA-N 1 0 346.431 2.612 20 5 EFBDRO [NH3+][C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000261951583 475125131 /nfs/dbraw/zinc/12/51/31/475125131.db2.gz PPVMFFCUWOOGRO-OAHLLOKOSA-N 1 0 340.383 2.806 20 5 EFBDRO CC(C)(C(=O)NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000273961943 475137201 /nfs/dbraw/zinc/13/72/01/475137201.db2.gz PBAGBXLHKXWZOK-UHFFFAOYSA-N 1 0 337.395 2.614 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000295944506 475137555 /nfs/dbraw/zinc/13/75/55/475137555.db2.gz GZIQFDQXOJGSQJ-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962925 475140285 /nfs/dbraw/zinc/14/02/85/475140285.db2.gz GPYAIJQXJROYOS-FZMZJTMJSA-N 1 0 334.376 2.702 20 5 EFBDRO O=C(CC[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962372 475145592 /nfs/dbraw/zinc/14/55/92/475145592.db2.gz JFXUKZRTGMUIKH-ZWKOTPCHSA-N 1 0 345.399 2.567 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281270362 475146669 /nfs/dbraw/zinc/14/66/69/475146669.db2.gz WDASIOPBHTZQQY-UHFFFAOYSA-N 1 0 342.399 2.728 20 5 EFBDRO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000295970146 475147896 /nfs/dbraw/zinc/14/78/96/475147896.db2.gz SIMDMZFESSMFIA-AWEZNQCLSA-N 1 0 344.371 2.560 20 5 EFBDRO CC(C)(C(=O)NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000273984998 475149443 /nfs/dbraw/zinc/14/94/43/475149443.db2.gz VUWUVDYYOYLPBK-UHFFFAOYSA-N 1 0 337.395 2.614 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000341588074 475170550 /nfs/dbraw/zinc/17/05/50/475170550.db2.gz PVVKLIRKBKFQEA-HUUCEWRRSA-N 1 0 341.411 2.993 20 5 EFBDRO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296035787 475173583 /nfs/dbraw/zinc/17/35/83/475173583.db2.gz NPWRQTBZKIYGRZ-GXTWGEPZSA-N 1 0 329.404 2.776 20 5 EFBDRO CO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296043876 475176307 /nfs/dbraw/zinc/17/63/07/475176307.db2.gz OFNSWJLUACBUNJ-SWLSCSKDSA-N 1 0 335.404 2.669 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000269115737 475177678 /nfs/dbraw/zinc/17/76/78/475177678.db2.gz NGGKYAMNTZQLSU-SJKOYZFVSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292763758 475187377 /nfs/dbraw/zinc/18/73/77/475187377.db2.gz OPDNNIYJAWRRHQ-INIZCTEOSA-N 1 0 347.415 2.611 20 5 EFBDRO CS[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296101824 475196188 /nfs/dbraw/zinc/19/61/88/475196188.db2.gz DNFVBGAOHTWGHC-SNVBAGLBSA-N 1 0 329.809 2.624 20 5 EFBDRO [NH3+]C1(c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000339397663 475196435 /nfs/dbraw/zinc/19/64/35/475196435.db2.gz RYXGOSZCAZTGJP-UHFFFAOYSA-N 1 0 331.376 2.751 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000296135089 475205728 /nfs/dbraw/zinc/20/57/28/475205728.db2.gz RQEYDSYOVGAVKU-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(F)c1 ZINC000339422727 475207902 /nfs/dbraw/zinc/20/79/02/475207902.db2.gz LXEZXUIERBCKBX-UHFFFAOYSA-N 1 0 345.374 2.860 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296159826 475211841 /nfs/dbraw/zinc/21/18/41/475211841.db2.gz KJVQJIQIOVIQAZ-QGZVFWFLSA-N 1 0 332.404 2.853 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000296165199 475212834 /nfs/dbraw/zinc/21/28/34/475212834.db2.gz ZBHBEYVQMKIXKX-CQSZACIVSA-N 1 0 348.447 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262309310 475218228 /nfs/dbraw/zinc/21/82/28/475218228.db2.gz YRSSALCFKMFFFQ-QGZVFWFLSA-N 1 0 345.374 2.759 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296186693 475218792 /nfs/dbraw/zinc/21/87/92/475218792.db2.gz UPZLJYJLVGKVGC-AWEZNQCLSA-N 1 0 349.431 2.794 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000357881272 475228523 /nfs/dbraw/zinc/22/85/23/475228523.db2.gz HHTDOVWXUUNLNU-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325687 475231032 /nfs/dbraw/zinc/23/10/32/475231032.db2.gz HQBGKJFLBLLKBT-CZUORRHYSA-N 1 0 348.334 2.710 20 5 EFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354538656 475231465 /nfs/dbraw/zinc/23/14/65/475231465.db2.gz FMSDRHCTUITREH-OAHLLOKOSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328750 475234840 /nfs/dbraw/zinc/23/48/40/475234840.db2.gz CEAZXIMBHLQMQR-CZUORRHYSA-N 1 0 330.344 2.571 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347328435 475235466 /nfs/dbraw/zinc/23/54/66/475235466.db2.gz AHUWBESNACVISU-WFASDCNBSA-N 1 0 349.406 2.971 20 5 EFBDRO CNc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361162373 475235493 /nfs/dbraw/zinc/23/54/93/475235493.db2.gz SRRQIBCDOBPCEH-CYBMUJFWSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000347328752 475236052 /nfs/dbraw/zinc/23/60/52/475236052.db2.gz CEAZXIMBHLQMQR-XJKSGUPXSA-N 1 0 330.344 2.571 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000341703201 475236198 /nfs/dbraw/zinc/23/61/98/475236198.db2.gz QRCHBWHYTKLMJF-LBPRGKRZSA-N 1 0 325.434 2.533 20 5 EFBDRO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332710 475240429 /nfs/dbraw/zinc/24/04/29/475240429.db2.gz HVPXGXGVTMAXQD-PBHICJAKSA-N 1 0 344.371 2.879 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361171017 475241699 /nfs/dbraw/zinc/24/16/99/475241699.db2.gz LRKDVBNAHNCQFQ-RYRKJORJSA-N 1 0 345.443 2.907 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361171015 475242182 /nfs/dbraw/zinc/24/21/82/475242182.db2.gz LRKDVBNAHNCQFQ-NUJGCVRESA-N 1 0 345.443 2.907 20 5 EFBDRO CN(C(=O)C[NH2+]C1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000341712128 475242513 /nfs/dbraw/zinc/24/25/13/475242513.db2.gz ZTYBTPBDOMIQEQ-UHFFFAOYSA-N 1 0 343.358 2.976 20 5 EFBDRO CNc1c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361180712 475250117 /nfs/dbraw/zinc/25/01/17/475250117.db2.gz UETWBTDCTSYILC-MGPQQGTHSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262538094 475258052 /nfs/dbraw/zinc/25/80/52/475258052.db2.gz QGRMDPIOKJVQTE-ZDUSSCGKSA-N 1 0 342.399 2.674 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347354036 475258850 /nfs/dbraw/zinc/25/88/50/475258850.db2.gz HZKWQGPTNQFGFK-MJSCBBHESA-N 1 0 334.416 2.983 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347354936 475259859 /nfs/dbraw/zinc/25/98/59/475259859.db2.gz GXKCFNREYLHSCM-CQSZACIVSA-N 1 0 337.807 2.995 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000345554728 475262361 /nfs/dbraw/zinc/26/23/61/475262361.db2.gz ZYMCPKGNFDYGFQ-CQSZACIVSA-N 1 0 346.431 2.786 20 5 EFBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209307 475271791 /nfs/dbraw/zinc/27/17/91/475271791.db2.gz FBAXHBKLPNIVEL-CQSZACIVSA-N 1 0 346.431 2.631 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000347373593 475275365 /nfs/dbraw/zinc/27/53/65/475275365.db2.gz RRSPFUGXPZDBPS-NTEUORMPSA-N 1 0 329.400 2.600 20 5 EFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1F ZINC000361226332 475285481 /nfs/dbraw/zinc/28/54/81/475285481.db2.gz ASOVFRRZCGBBFL-ZDUSSCGKSA-N 1 0 329.331 2.629 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000347400754 475297779 /nfs/dbraw/zinc/29/77/79/475297779.db2.gz BCICBYCVJKTZQV-JTQLQIEISA-N 1 0 343.225 2.591 20 5 EFBDRO Cn1c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000337760846 475302153 /nfs/dbraw/zinc/30/21/53/475302153.db2.gz ZIIVJEPWQLCLTF-UHFFFAOYSA-N 1 0 348.447 2.709 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410381 475304753 /nfs/dbraw/zinc/30/47/53/475304753.db2.gz GKKMTRGBBBJROK-CQSZACIVSA-N 1 0 341.415 2.706 20 5 EFBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000361262775 475312548 /nfs/dbraw/zinc/31/25/48/475312548.db2.gz PKCIJNIAJPELTD-IINYFYTJSA-N 1 0 341.371 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296468398 475329191 /nfs/dbraw/zinc/32/91/91/475329191.db2.gz XSLMDVWLZKWVGI-XKQJLSEDSA-N 1 0 347.415 2.635 20 5 EFBDRO CC[C@H]([NH2+][C@H](CCSC)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352487198 475339990 /nfs/dbraw/zinc/33/99/90/475339990.db2.gz BADHBIJJSLEYMB-LSDHHAIUSA-N 1 0 339.461 2.845 20 5 EFBDRO CC[C@@H]([NH2+][C@H](CCSC)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352487197 475341109 /nfs/dbraw/zinc/34/11/09/475341109.db2.gz BADHBIJJSLEYMB-HUUCEWRRSA-N 1 0 339.461 2.845 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488512 475343058 /nfs/dbraw/zinc/34/30/58/475343058.db2.gz QYOVWCFUFDDZMT-CABCVRRESA-N 1 0 339.461 2.893 20 5 EFBDRO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505107 475360430 /nfs/dbraw/zinc/36/04/30/475360430.db2.gz XXAQALGIBKQSKN-GXTWGEPZSA-N 1 0 339.461 2.764 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358059108 475366612 /nfs/dbraw/zinc/36/66/12/475366612.db2.gz DETIMVJFUQSLNE-UHFFFAOYSA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000296550723 475366951 /nfs/dbraw/zinc/36/69/51/475366951.db2.gz OTEAZSKJOCAPLK-UHFFFAOYSA-N 1 0 345.378 2.545 20 5 EFBDRO CC[N@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345694021 475373368 /nfs/dbraw/zinc/37/33/68/475373368.db2.gz YRCWSCOQXODCJY-INIZCTEOSA-N 1 0 335.429 2.653 20 5 EFBDRO CC1=CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331721113 475392086 /nfs/dbraw/zinc/39/20/86/475392086.db2.gz JJZOSZXSWBJBLG-CVEARBPZSA-N 1 0 333.436 2.517 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339672309 475394355 /nfs/dbraw/zinc/39/43/55/475394355.db2.gz AFUGGHMTZQGLPC-AWEZNQCLSA-N 1 0 329.400 2.606 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000358094064 475395319 /nfs/dbraw/zinc/39/53/19/475395319.db2.gz MVYTYFPOESNGMY-VXGBXAGGSA-N 1 0 337.395 2.610 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675832 475399862 /nfs/dbraw/zinc/39/98/62/475399862.db2.gz QUTFKNQWJVLWRA-WMLDXEAASA-N 1 0 329.400 2.822 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000348139156 475421255 /nfs/dbraw/zinc/42/12/55/475421255.db2.gz HOZCULHHCWKADO-UONOGXRCSA-N 1 0 335.404 2.637 20 5 EFBDRO CC(C)(C)NC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358125599 475421533 /nfs/dbraw/zinc/42/15/33/475421533.db2.gz IDXPVEDNUKPGDN-OAHLLOKOSA-N 1 0 333.432 2.810 20 5 EFBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348142387 475423972 /nfs/dbraw/zinc/42/39/72/475423972.db2.gz NFQYQJSFRZJAID-YPMHNXCESA-N 1 0 332.360 2.550 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296685657 475429448 /nfs/dbraw/zinc/42/94/48/475429448.db2.gz IZJRCEOSYUVQKX-NWDGAFQWSA-N 1 0 338.383 2.989 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296697926 475434166 /nfs/dbraw/zinc/43/41/66/475434166.db2.gz RSGPKDQCLYRILI-BBRMVZONSA-N 1 0 334.420 2.829 20 5 EFBDRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296723901 475446640 /nfs/dbraw/zinc/44/66/40/475446640.db2.gz NGKMGXBUUGKPAG-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000361458009 475463690 /nfs/dbraw/zinc/46/36/90/475463690.db2.gz WKXYUUCIUMBXRR-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296764257 475465898 /nfs/dbraw/zinc/46/58/98/475465898.db2.gz BYMVDMPBSXQWDU-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1 ZINC000339756202 475473647 /nfs/dbraw/zinc/47/36/47/475473647.db2.gz CHAFWLOMKVHILM-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000337999760 475495538 /nfs/dbraw/zinc/49/55/38/475495538.db2.gz LDKKEASVESTYGB-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338002684 475496002 /nfs/dbraw/zinc/49/60/02/475496002.db2.gz UGVQKUWQGUVBTM-UHFFFAOYSA-N 1 0 348.447 2.652 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000332081280 475504535 /nfs/dbraw/zinc/50/45/35/475504535.db2.gz LPTHBNFYLYQKHD-ZBFHGGJFSA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(F)F ZINC000338011965 475505181 /nfs/dbraw/zinc/50/51/81/475505181.db2.gz KPCPPZCSCLZRDD-SNVBAGLBSA-N 1 0 331.319 2.531 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000338015794 475508250 /nfs/dbraw/zinc/50/82/50/475508250.db2.gz DSKARFBQTYIAQS-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2O)Nc1ccccc1[N+](=O)[O-] ZINC000296863597 475511175 /nfs/dbraw/zinc/51/11/75/475511175.db2.gz UGGVAVXNAOFMLA-CQSZACIVSA-N 1 0 341.367 2.906 20 5 EFBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000332117810 475517824 /nfs/dbraw/zinc/51/78/24/475517824.db2.gz HQZXAMLKYHXOGT-UHFFFAOYSA-N 1 0 334.420 2.696 20 5 EFBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000361524522 475520522 /nfs/dbraw/zinc/52/05/22/475520522.db2.gz AOJKUVPZCPCEDI-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000296915510 475533590 /nfs/dbraw/zinc/53/35/90/475533590.db2.gz LJVSQAZAULZJSL-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000338051178 475546186 /nfs/dbraw/zinc/54/61/86/475546186.db2.gz PXKMQZRAYFXYLY-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000338051180 475546198 /nfs/dbraw/zinc/54/61/98/475546198.db2.gz PXKMQZRAYFXYLY-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332230386 475568028 /nfs/dbraw/zinc/56/80/28/475568028.db2.gz DHZCDDNJGSVCSX-NWDGAFQWSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332245719 475574083 /nfs/dbraw/zinc/57/40/83/475574083.db2.gz AUFDRWXQGRTHIC-HNNXBMFYSA-N 1 0 347.415 2.590 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332245720 475574230 /nfs/dbraw/zinc/57/42/30/475574230.db2.gz AUFDRWXQGRTHIC-OAHLLOKOSA-N 1 0 347.415 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000361589734 475576979 /nfs/dbraw/zinc/57/69/79/475576979.db2.gz WJWDARRFFUWURT-UHFFFAOYSA-N 1 0 338.429 2.633 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000346253131 475577205 /nfs/dbraw/zinc/57/72/05/475577205.db2.gz ZTOLBCMLXKUKEX-CKEIUWERSA-N 1 0 331.416 2.706 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CCSC)cc1[N+](=O)[O-] ZINC000358315905 475585865 /nfs/dbraw/zinc/58/58/65/475585865.db2.gz HRLKMCXILWDAEH-YPMHNXCESA-N 1 0 328.434 2.758 20 5 EFBDRO Cn1c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000338104609 475591737 /nfs/dbraw/zinc/59/17/37/475591737.db2.gz KSABPEJMGWJDEX-UHFFFAOYSA-N 1 0 348.447 2.852 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332313771 475597874 /nfs/dbraw/zinc/59/78/74/475597874.db2.gz NJNUQFNTHZENPO-QWHCGFSZSA-N 1 0 337.395 2.780 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000332320529 475600445 /nfs/dbraw/zinc/60/04/45/475600445.db2.gz RHFOPTUJYBEGQB-MRXNPFEDSA-N 1 0 342.399 2.555 20 5 EFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CO2 ZINC000297085789 475604488 /nfs/dbraw/zinc/60/44/88/475604488.db2.gz WYMDGIWFRHHSED-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000358351309 475611370 /nfs/dbraw/zinc/61/13/70/475611370.db2.gz LUFHSLNUBJMFSG-GFCCVEGCSA-N 1 0 332.404 2.926 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000297119815 475618908 /nfs/dbraw/zinc/61/89/08/475618908.db2.gz YQXFCDHKHFQOGQ-ZDUSSCGKSA-N 1 0 344.415 2.561 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000297121934 475618970 /nfs/dbraw/zinc/61/89/70/475618970.db2.gz SVYQVWBIWZPTHI-YOGCLGLASA-N 1 0 335.429 2.672 20 5 EFBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352789290 475628304 /nfs/dbraw/zinc/62/83/04/475628304.db2.gz BQUVZMPWGYCBCK-PRHODGIISA-N 1 0 329.809 2.528 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332404789 475628743 /nfs/dbraw/zinc/62/87/43/475628743.db2.gz HLSCLANIMYHBPO-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(OCCN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332423293 475632624 /nfs/dbraw/zinc/63/26/24/475632624.db2.gz AQWQHRKPSXTMDG-LSDHHAIUSA-N 1 0 349.431 2.541 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432530 475636015 /nfs/dbraw/zinc/63/60/15/475636015.db2.gz HTFSYLUKYQQNQQ-ILXRZTDVSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432531 475636279 /nfs/dbraw/zinc/63/62/79/475636279.db2.gz HTFSYLUKYQQNQQ-KKUMJFAQSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000361658583 475636775 /nfs/dbraw/zinc/63/67/75/475636775.db2.gz XXVBPIFBQOLWOP-WCQYABFASA-N 1 0 333.413 2.779 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000361658740 475636952 /nfs/dbraw/zinc/63/69/52/475636952.db2.gz GJMBUBMQLQIMRP-SHRNQRGKSA-N 1 0 329.400 2.695 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000361658739 475638327 /nfs/dbraw/zinc/63/83/27/475638327.db2.gz GJMBUBMQLQIMRP-QXSWTLKVSA-N 1 0 329.400 2.695 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000339955920 475639075 /nfs/dbraw/zinc/63/90/75/475639075.db2.gz WFQQZLMIQNQEBB-CQSZACIVSA-N 1 0 348.447 2.878 20 5 EFBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352803193 475639271 /nfs/dbraw/zinc/63/92/71/475639271.db2.gz XXMXRRRQTVLQGD-LDYMZIIASA-N 1 0 329.809 2.528 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358391754 475643487 /nfs/dbraw/zinc/64/34/87/475643487.db2.gz FOEIZXBQAQFSLP-OLZOCXBDSA-N 1 0 349.456 2.818 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297187695 475647877 /nfs/dbraw/zinc/64/78/77/475647877.db2.gz QLUDDOGMCMYTQN-OLZOCXBDSA-N 1 0 342.399 2.825 20 5 EFBDRO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000332524399 475659140 /nfs/dbraw/zinc/65/91/40/475659140.db2.gz RBMSBONXKLFTSK-OCCSQVGLSA-N 1 0 337.395 2.801 20 5 EFBDRO C[N@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCC1 ZINC000342961458 475661886 /nfs/dbraw/zinc/66/18/86/475661886.db2.gz WAPISZOTRVTBLL-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000332550919 475666308 /nfs/dbraw/zinc/66/63/08/475666308.db2.gz JSAVJXRFVJWHQQ-HZPDHXFCSA-N 1 0 346.431 2.671 20 5 EFBDRO Cc1nc(N(C)C2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000297253632 475676582 /nfs/dbraw/zinc/67/65/82/475676582.db2.gz VOHCMYNDPXHOTC-UHFFFAOYSA-N 1 0 341.415 2.794 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000353012373 475680089 /nfs/dbraw/zinc/68/00/89/475680089.db2.gz OQQDSNBGAXBUOH-VBNZEHGJSA-N 1 0 331.416 2.716 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338216068 475681980 /nfs/dbraw/zinc/68/19/80/475681980.db2.gz WZSUTKHIWZUQEZ-YJBOKZPZSA-N 1 0 345.443 2.907 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000297273864 475686170 /nfs/dbraw/zinc/68/61/70/475686170.db2.gz WXLBUZXMVXNRAH-ZDUSSCGKSA-N 1 0 344.415 2.930 20 5 EFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000348477878 475689361 /nfs/dbraw/zinc/68/93/61/475689361.db2.gz KTNVHUOUGHNYRH-CQSZACIVSA-N 1 0 343.811 2.837 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000361757120 475724329 /nfs/dbraw/zinc/72/43/29/475724329.db2.gz WSPAWYBXOZKROD-PBHICJAKSA-N 1 0 348.447 2.652 20 5 EFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000358499788 475727434 /nfs/dbraw/zinc/72/74/34/475727434.db2.gz UAYSVNYTWBBRMR-STQMWFEESA-N 1 0 349.431 2.905 20 5 EFBDRO Cc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000297435544 475757413 /nfs/dbraw/zinc/75/74/13/475757413.db2.gz IHHZWPYKYAXXOW-ZDUSSCGKSA-N 1 0 342.403 2.726 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338319716 475782094 /nfs/dbraw/zinc/78/20/94/475782094.db2.gz CRLRLRQTWMLCRC-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338327463 475791295 /nfs/dbraw/zinc/79/12/95/475791295.db2.gz WQASWOVRSRVGMN-GXTWGEPZSA-N 1 0 345.403 2.984 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345110 475809267 /nfs/dbraw/zinc/80/92/67/475809267.db2.gz ROSRFLGGRUCCIK-LLVKDONJSA-N 1 0 332.335 2.808 20 5 EFBDRO Cc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000338350300 475815221 /nfs/dbraw/zinc/81/52/21/475815221.db2.gz NIFJXXAMCSVQTL-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338351626 475815541 /nfs/dbraw/zinc/81/55/41/475815541.db2.gz NEGOPODNOJNDDL-OAHLLOKOSA-N 1 0 335.448 2.962 20 5 EFBDRO Cc1ccccc1CNC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363798 475827791 /nfs/dbraw/zinc/82/77/91/475827791.db2.gz YLXDEBXCOLLURT-UHFFFAOYSA-N 1 0 341.411 2.694 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355331070 475834043 /nfs/dbraw/zinc/83/40/43/475834043.db2.gz DUQVDKWATXBWHZ-UHFFFAOYSA-N 1 0 346.431 2.555 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000358659964 475842188 /nfs/dbraw/zinc/84/21/88/475842188.db2.gz FRQHECSAXYUOPR-UHFFFAOYSA-N 1 0 331.376 2.567 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000346770690 475843713 /nfs/dbraw/zinc/84/37/13/475843713.db2.gz OZHWYNJKUZWGLQ-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000346777580 475852455 /nfs/dbraw/zinc/85/24/55/475852455.db2.gz SXHLRWNPZUZGCF-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000355352913 475857683 /nfs/dbraw/zinc/85/76/83/475857683.db2.gz HNMXQZHUBCKHSS-UHFFFAOYSA-N 1 0 337.807 2.559 20 5 EFBDRO Cc1ncc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)[nH]1 ZINC000346786528 475859853 /nfs/dbraw/zinc/85/98/53/475859853.db2.gz DDIANSVKKOWWRD-HNNXBMFYSA-N 1 0 328.372 2.510 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340211447 475861377 /nfs/dbraw/zinc/86/13/77/475861377.db2.gz XFHZZVLPUAKYDM-KBPBESRZSA-N 1 0 348.321 2.751 20 5 EFBDRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297765039 475878636 /nfs/dbraw/zinc/87/86/36/475878636.db2.gz VYPZVPKOHRYBSC-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000353341968 475885988 /nfs/dbraw/zinc/88/59/88/475885988.db2.gz ZFZTUGYAOZXONT-LLVKDONJSA-N 1 0 326.372 2.976 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000346830784 475895090 /nfs/dbraw/zinc/89/50/90/475895090.db2.gz PCKDITRQJBWYCS-ZLKJLUDKSA-N 1 0 341.358 2.755 20 5 EFBDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000358738768 475895912 /nfs/dbraw/zinc/89/59/12/475895912.db2.gz BHWGWBAIHJBUIK-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338453744 475919612 /nfs/dbraw/zinc/91/96/12/475919612.db2.gz SCHZUFDLYGUFFO-MRXNPFEDSA-N 1 0 333.432 2.908 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338453742 475920056 /nfs/dbraw/zinc/92/00/56/475920056.db2.gz SCHZUFDLYGUFFO-INIZCTEOSA-N 1 0 333.432 2.908 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346888713 475940205 /nfs/dbraw/zinc/94/02/05/475940205.db2.gz BRINGLJDXGGSLI-AWEZNQCLSA-N 1 0 333.432 2.861 20 5 EFBDRO COc1cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000338477649 475941502 /nfs/dbraw/zinc/94/15/02/475941502.db2.gz OAJOSALDCYCCEC-RYUDHWBXSA-N 1 0 338.404 2.992 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343318731 475946357 /nfs/dbraw/zinc/94/63/57/475946357.db2.gz IRGFLEPWAYZJRQ-NSHDSACASA-N 1 0 335.429 2.673 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000346921843 475964611 /nfs/dbraw/zinc/96/46/11/475964611.db2.gz WMESJORQRFKNES-CQSZACIVSA-N 1 0 334.420 2.749 20 5 EFBDRO CC[NH+](CC)CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353437417 475966487 /nfs/dbraw/zinc/96/64/87/475966487.db2.gz RCJATDAGSRAFGD-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000362060937 475969814 /nfs/dbraw/zinc/96/98/14/475969814.db2.gz QTKCYQILCRTSLQ-HNNXBMFYSA-N 1 0 335.379 2.728 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000338539270 475994494 /nfs/dbraw/zinc/99/44/94/475994494.db2.gz FYIBEHZSVIHZKY-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346971763 475999141 /nfs/dbraw/zinc/99/91/41/475999141.db2.gz NTSQAHFLSHWAEP-FUHWJXTLSA-N 1 0 343.383 2.567 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340384636 476000707 /nfs/dbraw/zinc/00/07/07/476000707.db2.gz AYTKMWVGKNCMJW-AWEZNQCLSA-N 1 0 333.432 2.673 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000355531789 476011725 /nfs/dbraw/zinc/01/17/25/476011725.db2.gz KWVWGDQZIJTZOP-ZDUSSCGKSA-N 1 0 325.368 2.615 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)N1Cc2ccccc2C1 ZINC000355539010 476016285 /nfs/dbraw/zinc/01/62/85/476016285.db2.gz ZUDPNHPSFATZHO-UHFFFAOYSA-N 1 0 325.368 2.535 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355544821 476020729 /nfs/dbraw/zinc/02/07/29/476020729.db2.gz INNVTRUHXVATHE-CQSZACIVSA-N 1 0 339.395 2.924 20 5 EFBDRO CC[N@H+](CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499499 476023679 /nfs/dbraw/zinc/02/36/79/476023679.db2.gz USBUKNHABKDSOM-KRWDZBQOSA-N 1 0 345.447 2.738 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000358907903 476030361 /nfs/dbraw/zinc/03/03/61/476030361.db2.gz RXXFETMWNWUBLR-HNNXBMFYSA-N 1 0 346.431 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000353516624 476036493 /nfs/dbraw/zinc/03/64/93/476036493.db2.gz ZHCRYFOZCQYSAB-UHFFFAOYSA-N 1 0 341.358 2.866 20 5 EFBDRO CCC[N@H+](CC)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353518018 476039134 /nfs/dbraw/zinc/03/91/34/476039134.db2.gz KBOZKJSGOJCNNW-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1 ZINC000340447705 476040584 /nfs/dbraw/zinc/04/05/84/476040584.db2.gz YFMAWMSWTLEIPY-UHFFFAOYSA-N 1 0 349.394 2.675 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340448311 476042433 /nfs/dbraw/zinc/04/24/33/476042433.db2.gz KSHMFCQYSJNGPV-RYUDHWBXSA-N 1 0 344.371 2.763 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347027931 476045966 /nfs/dbraw/zinc/04/59/66/476045966.db2.gz VCMWBXKOTTUPCY-NEPJUHHUSA-N 1 0 327.331 2.523 20 5 EFBDRO CCC(=O)c1ccc(NC[C@@H](C)N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000358942438 476058624 /nfs/dbraw/zinc/05/86/24/476058624.db2.gz BDHCKTDHFZVZLQ-CQSZACIVSA-N 1 0 348.447 2.625 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000343431021 476059001 /nfs/dbraw/zinc/05/90/01/476059001.db2.gz QZKHLDYKVKPRPB-OAHLLOKOSA-N 1 0 346.387 2.940 20 5 EFBDRO C[C@@H](CC(F)(F)F)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000362189859 476059624 /nfs/dbraw/zinc/05/96/24/476059624.db2.gz PMCNZWMBNBQFFT-VIFPVBQESA-N 1 0 342.277 2.851 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000353567111 476085410 /nfs/dbraw/zinc/08/54/10/476085410.db2.gz GHUIMAWPFZCPJM-UHFFFAOYSA-N 1 0 342.399 2.786 20 5 EFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000298450903 476098243 /nfs/dbraw/zinc/09/82/43/476098243.db2.gz RABWNJBIBRZNHQ-QGZVFWFLSA-N 1 0 349.431 2.700 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000338679732 476109277 /nfs/dbraw/zinc/10/92/77/476109277.db2.gz KZZYEEUAZVNVIO-OAHLLOKOSA-N 1 0 337.420 2.541 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356596818 476113905 /nfs/dbraw/zinc/11/39/05/476113905.db2.gz LTSWVULFBDLBEI-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[N@H+](C)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000353608915 476121111 /nfs/dbraw/zinc/12/11/11/476121111.db2.gz SEYUFQLRKXHZDF-ZDUSSCGKSA-N 1 0 345.399 2.999 20 5 EFBDRO COc1ccc(CN(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000336726864 476126847 /nfs/dbraw/zinc/12/68/47/476126847.db2.gz WXHWXGSWMVDWTI-UHFFFAOYSA-N 1 0 329.400 2.954 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356738362 476127340 /nfs/dbraw/zinc/12/73/40/476127340.db2.gz HZRQWFOJANZCNR-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000350311730 476129651 /nfs/dbraw/zinc/12/96/51/476129651.db2.gz KCRIGXBFNJGKDO-IUODEOHRSA-N 1 0 326.393 2.878 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000336828992 476136639 /nfs/dbraw/zinc/13/66/39/476136639.db2.gz BGYNTMACYPULKG-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347182129 476155148 /nfs/dbraw/zinc/15/51/48/476155148.db2.gz WEKWMSQCGGEREI-LLVKDONJSA-N 1 0 329.347 2.628 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359078077 476169547 /nfs/dbraw/zinc/16/95/47/476169547.db2.gz CCYSJLJMQNKBQD-CYBMUJFWSA-N 1 0 325.368 2.788 20 5 EFBDRO CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000340650598 476180859 /nfs/dbraw/zinc/18/08/59/476180859.db2.gz KHJCMIATNKASFH-UHFFFAOYSA-N 1 0 327.384 2.926 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000357049733 476189028 /nfs/dbraw/zinc/18/90/28/476189028.db2.gz GFDJHVYBSVEARM-UHFFFAOYSA-N 1 0 347.419 2.662 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)c1 ZINC000357051322 476189196 /nfs/dbraw/zinc/18/91/96/476189196.db2.gz MZLUGOBTLIHPSF-KGLIPLIRSA-N 1 0 344.440 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000357053496 476191358 /nfs/dbraw/zinc/19/13/58/476191358.db2.gz OXPKQIPCCQIHAR-CABCVRRESA-N 1 0 327.384 2.896 20 5 EFBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000357055415 476192378 /nfs/dbraw/zinc/19/23/78/476192378.db2.gz RFFMLISZLGUJRS-UHFFFAOYSA-N 1 0 331.347 2.930 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000347255204 476209295 /nfs/dbraw/zinc/20/92/95/476209295.db2.gz FJVQNUQYHYLOAA-AWEZNQCLSA-N 1 0 336.367 2.826 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340700887 476218925 /nfs/dbraw/zinc/21/89/25/476218925.db2.gz IIZHMKABOODKTG-OAHLLOKOSA-N 1 0 344.415 2.606 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000357086070 476219698 /nfs/dbraw/zinc/21/96/98/476219698.db2.gz RJVQVXWMEHMESO-GJZGRUSLSA-N 1 0 327.384 2.896 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295677 476238765 /nfs/dbraw/zinc/23/87/65/476238765.db2.gz YSYFCZQBIYQJHE-RYUDHWBXSA-N 1 0 338.383 2.976 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357115394 476242339 /nfs/dbraw/zinc/24/23/39/476242339.db2.gz ZZLTTZYUOXCWQO-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353758772 476251296 /nfs/dbraw/zinc/25/12/96/476251296.db2.gz NEMLCLRYFUMEGT-OCCSQVGLSA-N 1 0 336.388 2.815 20 5 EFBDRO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc([N+](=O)[O-])c1 ZINC000347312727 476251372 /nfs/dbraw/zinc/25/13/72/476251372.db2.gz DLNZDWBMYPDFOC-RHSMWYFYSA-N 1 0 344.371 2.879 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000303968268 476254032 /nfs/dbraw/zinc/25/40/32/476254032.db2.gz AMEJMBREEAPGKK-AWEZNQCLSA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000303968270 476254358 /nfs/dbraw/zinc/25/43/58/476254358.db2.gz AMEJMBREEAPGKK-CQSZACIVSA-N 1 0 349.431 2.857 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000357138895 476258197 /nfs/dbraw/zinc/25/81/97/476258197.db2.gz XHZLIKALSKTXHY-KBPBESRZSA-N 1 0 327.384 2.896 20 5 EFBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353773900 476264478 /nfs/dbraw/zinc/26/44/78/476264478.db2.gz GGIVYEBFNYWADR-UONOGXRCSA-N 1 0 336.388 2.815 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000362483180 476276402 /nfs/dbraw/zinc/27/64/02/476276402.db2.gz TVDMZBNWTCRIQH-ZDUSSCGKSA-N 1 0 348.447 2.807 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000360059897 476287950 /nfs/dbraw/zinc/28/79/50/476287950.db2.gz RALJXCUOBPWOPO-BXUZGUMPSA-N 1 0 330.388 2.925 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cnn3ccccc23)n1 ZINC000353864435 476305742 /nfs/dbraw/zinc/30/57/42/476305742.db2.gz IZMZKMVHDGKHIK-GOEBONIOSA-N 1 0 340.387 2.713 20 5 EFBDRO CC(C)C[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552630 476305841 /nfs/dbraw/zinc/30/58/41/476305841.db2.gz USCVYCDPMLSSAC-CJNGLKHVSA-N 1 0 345.399 2.595 20 5 EFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2C1 ZINC000360636412 476325223 /nfs/dbraw/zinc/32/52/23/476325223.db2.gz NSBVKFCFYCHDTI-UHFFFAOYSA-N 1 0 343.387 2.552 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1 ZINC000357336420 476336364 /nfs/dbraw/zinc/33/63/64/476336364.db2.gz MDLJDAUGRURDMK-INIZCTEOSA-N 1 0 337.383 2.675 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362651549 476340884 /nfs/dbraw/zinc/34/08/84/476340884.db2.gz QBTXXCRCPWFVHX-HNNXBMFYSA-N 1 0 331.416 2.830 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C34CCC[NH+]3CCC4)n2)c1 ZINC000351223693 476368496 /nfs/dbraw/zinc/36/84/96/476368496.db2.gz MWRPHLSYKMMCRO-UHFFFAOYSA-N 1 0 344.371 2.662 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(OCCO)CC3)o2)cc1 ZINC000354034272 476381571 /nfs/dbraw/zinc/38/15/71/476381571.db2.gz PYEMCMCNKMHRCR-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000360840742 476421160 /nfs/dbraw/zinc/42/11/60/476421160.db2.gz CJQPYGYQRZDFOV-AWEZNQCLSA-N 1 0 347.419 2.843 20 5 EFBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522880 476429985 /nfs/dbraw/zinc/42/99/85/476429985.db2.gz KNGNMWSAXLJTEY-ZIAGYGMSSA-N 1 0 335.404 2.731 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000360881777 476451056 /nfs/dbraw/zinc/45/10/56/476451056.db2.gz UOEXQRAOYPAOOW-ZDUSSCGKSA-N 1 0 343.431 2.978 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000354137875 476454659 /nfs/dbraw/zinc/45/46/59/476454659.db2.gz IBRWUVXCOKGUAC-UHFFFAOYSA-N 1 0 333.432 2.934 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000357574375 476464542 /nfs/dbraw/zinc/46/45/42/476464542.db2.gz AJOQTLAKUHLWCS-CQSZACIVSA-N 1 0 348.447 2.971 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000360910743 476470984 /nfs/dbraw/zinc/47/09/84/476470984.db2.gz WFVCEUOXRYOFLI-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000369692451 476479962 /nfs/dbraw/zinc/47/99/62/476479962.db2.gz NDQHYFJOOYHSOW-UHFFFAOYSA-N 1 0 331.332 2.537 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000363668740 476486404 /nfs/dbraw/zinc/48/64/04/476486404.db2.gz ABZDZZZDOJITIR-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO CNc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000360951891 476498489 /nfs/dbraw/zinc/49/84/89/476498489.db2.gz UIVSVTNGYDYSPP-CQSZACIVSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000369772666 476517188 /nfs/dbraw/zinc/51/71/88/476517188.db2.gz LZIXSAPMHDYOBA-ROUUACIJSA-N 1 0 339.395 2.731 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360983152 476524056 /nfs/dbraw/zinc/52/40/56/476524056.db2.gz DOQYKESXWWEFOR-MRXNPFEDSA-N 1 0 349.431 2.735 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000361000935 476535231 /nfs/dbraw/zinc/53/52/31/476535231.db2.gz CPQBWVNFMSKEOO-UHFFFAOYSA-N 1 0 335.383 2.803 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377744083 476558087 /nfs/dbraw/zinc/55/80/87/476558087.db2.gz LCWUAOBLPATSKR-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000361059981 476573589 /nfs/dbraw/zinc/57/35/89/476573589.db2.gz OMWULIHTXQXQIJ-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO C[N@H+](CCn1cc(Cl)cc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000357760348 476583699 /nfs/dbraw/zinc/58/36/99/476583699.db2.gz KVGBSKIKOYMUNS-UHFFFAOYSA-N 1 0 339.754 2.681 20 5 EFBDRO COc1ncccc1CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000357774643 476595010 /nfs/dbraw/zinc/59/50/10/476595010.db2.gz LMGPSCUMHNOQTK-UHFFFAOYSA-N 1 0 338.367 2.932 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000369939417 476595812 /nfs/dbraw/zinc/59/58/12/476595812.db2.gz JHYMEHXBOYVDSB-CYBMUJFWSA-N 1 0 346.387 2.893 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000369938742 476596299 /nfs/dbraw/zinc/59/62/99/476596299.db2.gz WJCHBKJVTQAHGN-INIZCTEOSA-N 1 0 331.416 2.858 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000369938743 476596887 /nfs/dbraw/zinc/59/68/87/476596887.db2.gz WJCHBKJVTQAHGN-MRXNPFEDSA-N 1 0 331.416 2.858 20 5 EFBDRO C[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000374968015 476614720 /nfs/dbraw/zinc/61/47/20/476614720.db2.gz GTADEHPFBMUTDD-ZDUSSCGKSA-N 1 0 349.406 2.924 20 5 EFBDRO CNc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000361125579 476617812 /nfs/dbraw/zinc/61/78/12/476617812.db2.gz XPARTHLXDKFEPH-UHFFFAOYSA-N 1 0 328.372 2.950 20 5 EFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000354379652 476622459 /nfs/dbraw/zinc/62/24/59/476622459.db2.gz BVXLRQXJTYRZHN-BLLLJJGKSA-N 1 0 330.388 2.653 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000361136798 476628631 /nfs/dbraw/zinc/62/86/31/476628631.db2.gz SDVAOWDHJQLUSL-LLVKDONJSA-N 1 0 332.335 2.808 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361137026 476628976 /nfs/dbraw/zinc/62/89/76/476628976.db2.gz UDDBUCUVYKPWGI-GFCCVEGCSA-N 1 0 328.372 2.842 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375010965 476633601 /nfs/dbraw/zinc/63/36/01/476633601.db2.gz DDMPQMMGRIHSJY-IIDMSEBBSA-N 1 0 334.416 2.767 20 5 EFBDRO CNc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361144937 476633996 /nfs/dbraw/zinc/63/39/96/476633996.db2.gz MJLBFHSCHVJBPX-CHWSQXEVSA-N 1 0 334.420 2.629 20 5 EFBDRO COc1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000363305783 476644423 /nfs/dbraw/zinc/64/44/23/476644423.db2.gz DFUCOAFVVLNBGP-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363321234 476650780 /nfs/dbraw/zinc/65/07/80/476650780.db2.gz ONUIDPZGCQNDHZ-HOCLYGCPSA-N 1 0 346.431 2.756 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063046 476653693 /nfs/dbraw/zinc/65/36/93/476653693.db2.gz OEOINPQUVZCSMT-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363328247 476654165 /nfs/dbraw/zinc/65/41/65/476654165.db2.gz DXXFSGHFUMXUFM-RYUDHWBXSA-N 1 0 338.795 2.997 20 5 EFBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000354436810 476662083 /nfs/dbraw/zinc/66/20/83/476662083.db2.gz CWRWABAWJRRVLJ-ZIAGYGMSSA-N 1 0 343.431 2.520 20 5 EFBDRO Cc1ccc2[nH]c3c(c2c1)CN(CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000365718066 476679643 /nfs/dbraw/zinc/67/96/43/476679643.db2.gz OWACTSMQIZUZQX-UHFFFAOYSA-N 1 0 325.372 2.639 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456684305 476689259 /nfs/dbraw/zinc/68/92/59/476689259.db2.gz NROMPEJLTXUONV-UHFFFAOYSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790870 476689667 /nfs/dbraw/zinc/68/96/67/476689667.db2.gz SDPFGDVRIUTXPY-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429790872 476690181 /nfs/dbraw/zinc/69/01/81/476690181.db2.gz SDPFGDVRIUTXPY-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370203262 476697569 /nfs/dbraw/zinc/69/75/69/476697569.db2.gz FQRNMIMUEJIIJE-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000429873094 476707439 /nfs/dbraw/zinc/70/74/39/476707439.db2.gz ZMTNTHJDLVGOGT-GDBMZVCRSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000429873096 476707453 /nfs/dbraw/zinc/70/74/53/476707453.db2.gz ZMTNTHJDLVGOGT-HOCLYGCPSA-N 1 0 331.416 2.615 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000375185566 476707875 /nfs/dbraw/zinc/70/78/75/476707875.db2.gz AJPANZBXJUSDTO-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO C[N@@H+]1CCCC12CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC000378503886 476718004 /nfs/dbraw/zinc/71/80/04/476718004.db2.gz CBTSIXIYTNEBQL-UHFFFAOYSA-N 1 0 344.415 2.544 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000422634333 476723867 /nfs/dbraw/zinc/72/38/67/476723867.db2.gz QBSLFXCTYBQUNP-MRXNPFEDSA-N 1 0 331.416 2.816 20 5 EFBDRO C[C@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444612290 476726176 /nfs/dbraw/zinc/72/61/76/476726176.db2.gz SYWLVEGQFRKSMY-LBPRGKRZSA-N 1 0 332.404 2.987 20 5 EFBDRO C[C@@H](C[NH3+])N(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000383003264 476750148 /nfs/dbraw/zinc/75/01/48/476750148.db2.gz XSPWUJHFNDPMKB-QMMMGPOBSA-N 1 0 339.193 2.689 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422760597 476764171 /nfs/dbraw/zinc/76/41/71/476764171.db2.gz QINAABLQLXBOBC-NEPJUHHUSA-N 1 0 337.445 2.825 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422771273 476769866 /nfs/dbraw/zinc/76/98/66/476769866.db2.gz XHXSNWPNWKFUPF-FOSCPWQOSA-N 1 0 335.429 2.720 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452012315 476774589 /nfs/dbraw/zinc/77/45/89/476774589.db2.gz LWDIMFAKZVCAFU-UONOGXRCSA-N 1 0 334.420 2.700 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452032084 476782877 /nfs/dbraw/zinc/78/28/77/476782877.db2.gz CAEPDZZSULLZOR-GDBMZVCRSA-N 1 0 335.404 2.861 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452032066 476783287 /nfs/dbraw/zinc/78/32/87/476783287.db2.gz BZGOVYNQEAUHFH-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224476 476783987 /nfs/dbraw/zinc/78/39/87/476783987.db2.gz KEVIHCKFGQUWCM-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cnc(C)cc1C ZINC000452039467 476788341 /nfs/dbraw/zinc/78/83/41/476788341.db2.gz BUWYVKMRPBNXJD-UHFFFAOYSA-N 1 0 349.412 2.648 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000422819250 476792849 /nfs/dbraw/zinc/79/28/49/476792849.db2.gz HWDFPKAXAYGOFI-AOOOYVTPSA-N 1 0 343.836 2.549 20 5 EFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000422819252 476794054 /nfs/dbraw/zinc/79/40/54/476794054.db2.gz HWDFPKAXAYGOFI-UWVGGRQHSA-N 1 0 343.836 2.549 20 5 EFBDRO C[C@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452054985 476796877 /nfs/dbraw/zinc/79/68/77/476796877.db2.gz SRKBROMJYSTVEB-KHSSZTOVSA-N 1 0 329.400 2.901 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375387583 476809280 /nfs/dbraw/zinc/80/92/80/476809280.db2.gz OHAVOGZZYCNAGB-KRWDZBQOSA-N 1 0 330.388 2.539 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000446035676 476810913 /nfs/dbraw/zinc/81/09/13/476810913.db2.gz FISZXNCQWTZWTC-LLVKDONJSA-N 1 0 325.796 2.723 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422894023 476831760 /nfs/dbraw/zinc/83/17/60/476831760.db2.gz BJBPFGAMWCIYJR-CQSZACIVSA-N 1 0 330.388 2.588 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422894167 476832244 /nfs/dbraw/zinc/83/22/44/476832244.db2.gz SLMWLLJYDUEEEU-UHFFFAOYSA-N 1 0 345.852 2.784 20 5 EFBDRO Cc1c(NC(=O)CCN(C)[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452117088 476837170 /nfs/dbraw/zinc/83/71/70/476837170.db2.gz NOWXFCDKBRSUDO-HNNXBMFYSA-N 1 0 348.447 2.646 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000457036865 476840437 /nfs/dbraw/zinc/84/04/37/476840437.db2.gz QLCFCWDNNYJOHT-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CCCO)C3)o2)c1 ZINC000452124049 476840929 /nfs/dbraw/zinc/84/09/29/476840929.db2.gz QMOZVZVQLDTFKG-CQSZACIVSA-N 1 0 345.399 2.887 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457040396 476841952 /nfs/dbraw/zinc/84/19/52/476841952.db2.gz FTKXLKYKHINGPP-UHFFFAOYSA-N 1 0 344.415 2.609 20 5 EFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430499782 476842054 /nfs/dbraw/zinc/84/20/54/476842054.db2.gz BOIGQRZZOSNOBJ-SJORKVTESA-N 1 0 331.416 2.777 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457058956 476852309 /nfs/dbraw/zinc/85/23/09/476852309.db2.gz QMBDEKCZYHXKPC-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000457061723 476853655 /nfs/dbraw/zinc/85/36/55/476853655.db2.gz YYSXFZQCAVSKAG-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO COc1ccc(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950160 476860427 /nfs/dbraw/zinc/86/04/27/476860427.db2.gz XFIPHKZQIBIENC-XJKSGUPXSA-N 1 0 329.400 2.652 20 5 EFBDRO COc1cc(CN[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000430574251 476864482 /nfs/dbraw/zinc/86/44/82/476864482.db2.gz SDCXSGFGPDVGGI-HNNXBMFYSA-N 1 0 347.362 2.668 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000446348001 476865822 /nfs/dbraw/zinc/86/58/22/476865822.db2.gz GUAZETMXQZFXTL-CQSZACIVSA-N 1 0 339.823 2.969 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578748 476867393 /nfs/dbraw/zinc/86/73/93/476867393.db2.gz BHYVNLMYTUMCJV-ZIAGYGMSSA-N 1 0 336.436 2.535 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000414079608 476867686 /nfs/dbraw/zinc/86/76/86/476867686.db2.gz SCSVLKVYJXPIJR-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000422965830 476870715 /nfs/dbraw/zinc/87/07/15/476870715.db2.gz PVNWUYJCSQEFQG-INIZCTEOSA-N 1 0 327.384 2.937 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457095762 476871858 /nfs/dbraw/zinc/87/18/58/476871858.db2.gz QEYLLGLCVHCAME-CYBMUJFWSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457095763 476872068 /nfs/dbraw/zinc/87/20/68/476872068.db2.gz QEYLLGLCVHCAME-ZDUSSCGKSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000422972238 476872248 /nfs/dbraw/zinc/87/22/48/476872248.db2.gz ZWXVJYHZBNAMKQ-INIZCTEOSA-N 1 0 327.384 2.937 20 5 EFBDRO CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000422972240 476872622 /nfs/dbraw/zinc/87/26/22/476872622.db2.gz ZWXVJYHZBNAMKQ-MRXNPFEDSA-N 1 0 327.384 2.937 20 5 EFBDRO CC(C)(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000414272191 476877634 /nfs/dbraw/zinc/87/76/34/476877634.db2.gz XRFJIXLRUAEXHA-OAHLLOKOSA-N 1 0 340.445 2.775 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414266887 476877856 /nfs/dbraw/zinc/87/78/56/476877856.db2.gz SJGMFMYNGLSEAM-IARIHHJXSA-N 1 0 344.415 2.821 20 5 EFBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000366177199 476892521 /nfs/dbraw/zinc/89/25/21/476892521.db2.gz IYUZSWBAUMSNLJ-SFHVURJKSA-N 1 0 326.400 2.983 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000457137161 476897084 /nfs/dbraw/zinc/89/70/84/476897084.db2.gz XBMMJBICOPGMOS-LBPRGKRZSA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000415416558 476921878 /nfs/dbraw/zinc/92/18/78/476921878.db2.gz KMXPIVOFFTUKKZ-KBPBESRZSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000415418712 476922708 /nfs/dbraw/zinc/92/27/08/476922708.db2.gz PDKLNRKVAIHRAV-MRXNPFEDSA-N 1 0 340.383 2.912 20 5 EFBDRO Cc1cc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000415418711 476922812 /nfs/dbraw/zinc/92/28/12/476922812.db2.gz PDKLNRKVAIHRAV-INIZCTEOSA-N 1 0 340.383 2.912 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000415429151 476925075 /nfs/dbraw/zinc/92/50/75/476925075.db2.gz AXLSQKPKLJHGCA-BDAKNGLRSA-N 1 0 346.309 2.828 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452343548 476925263 /nfs/dbraw/zinc/92/52/63/476925263.db2.gz LJNNMUYRFGBXPA-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415429633 476926859 /nfs/dbraw/zinc/92/68/59/476926859.db2.gz BHMPOCPGAATGEL-MRVPVSSYSA-N 1 0 332.282 2.569 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]Cc2ccccc21 ZINC000430928771 476938868 /nfs/dbraw/zinc/93/88/68/476938868.db2.gz MIIQTZNEWZOPJR-CYBMUJFWSA-N 1 0 340.383 2.532 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000408148336 476940346 /nfs/dbraw/zinc/94/03/46/476940346.db2.gz BQORNWZPLVBHDB-MJBXVCDLSA-N 1 0 346.431 2.654 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000447059541 476945911 /nfs/dbraw/zinc/94/59/11/476945911.db2.gz LKSHIISBUDKMJT-GOSISDBHSA-N 1 0 346.358 2.954 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415654931 476949148 /nfs/dbraw/zinc/94/91/48/476949148.db2.gz JWWKQVKJBUOKJI-INIZCTEOSA-N 1 0 336.392 2.505 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000447071824 476950475 /nfs/dbraw/zinc/95/04/75/476950475.db2.gz CROMZSWOIWLMLY-GOSISDBHSA-N 1 0 346.358 2.954 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000408400467 476950761 /nfs/dbraw/zinc/95/07/61/476950761.db2.gz SKMWZHLHVXLTBR-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000423193861 476960886 /nfs/dbraw/zinc/96/08/86/476960886.db2.gz XGGKAXBOCPYBHC-LBPRGKRZSA-N 1 0 325.368 2.813 20 5 EFBDRO Cn1c2cc(F)ccc2nc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000431029321 476963122 /nfs/dbraw/zinc/96/31/22/476963122.db2.gz CBPGMMQQLIWNOE-UHFFFAOYSA-N 1 0 329.335 2.567 20 5 EFBDRO CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000423226990 476968604 /nfs/dbraw/zinc/96/86/04/476968604.db2.gz TVLMYYATBYZBII-QGZVFWFLSA-N 1 0 341.411 2.980 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000416005942 476989123 /nfs/dbraw/zinc/98/91/23/476989123.db2.gz KMJPFBUUDZAWQQ-CABZTGNLSA-N 1 0 348.325 2.543 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ccccc2)n1 ZINC000447511039 477000477 /nfs/dbraw/zinc/00/04/77/477000477.db2.gz RVVRJJNDDZNWQU-HZPDHXFCSA-N 1 0 330.388 2.944 20 5 EFBDRO COc1ccc(OCCN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000375800712 477015873 /nfs/dbraw/zinc/01/58/73/477015873.db2.gz DDYHPJLULGWPKR-CABCVRRESA-N 1 0 349.431 2.541 20 5 EFBDRO Cc1cc(OCC(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000431360286 477016847 /nfs/dbraw/zinc/01/68/47/477016847.db2.gz XFOPGLZUVFHCQW-UHFFFAOYSA-N 1 0 337.420 2.517 20 5 EFBDRO COc1c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000416097769 477018467 /nfs/dbraw/zinc/01/84/67/477018467.db2.gz GBFFYWKHCAKGKJ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](CCCC[NH3+])N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423420904 477028723 /nfs/dbraw/zinc/02/87/23/477028723.db2.gz BWAWZHMTGZPBJU-CZUORRHYSA-N 1 0 331.420 2.525 20 5 EFBDRO CCC[C@H](C)C(=O)NCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000431493038 477038937 /nfs/dbraw/zinc/03/89/37/477038937.db2.gz ABCRLCGKCIDXQB-LBPRGKRZSA-N 1 0 344.415 2.838 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000375841710 477041374 /nfs/dbraw/zinc/04/13/74/477041374.db2.gz TYLHXTPMQNSDCD-HLLBOEOZSA-N 1 0 344.415 2.769 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000423496318 477049413 /nfs/dbraw/zinc/04/94/13/477049413.db2.gz WIBNDAIHQBDDCJ-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO Cc1cc(OCC(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431570641 477053811 /nfs/dbraw/zinc/05/38/11/477053811.db2.gz LVAATKLZLBFMCA-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514496 477055937 /nfs/dbraw/zinc/05/59/37/477055937.db2.gz DDBCEFXGOSMHMQ-QWHCGFSZSA-N 1 0 347.440 2.962 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423528370 477063565 /nfs/dbraw/zinc/06/35/65/477063565.db2.gz NWNKGYZLYJSKKM-ZLKJLUDKSA-N 1 0 335.429 2.516 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423550129 477070302 /nfs/dbraw/zinc/07/03/02/477070302.db2.gz FKTFLKCCEFOGNP-KKUMJFAQSA-N 1 0 331.416 2.719 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423576922 477073256 /nfs/dbraw/zinc/07/32/56/477073256.db2.gz RPRDQRNWDMDQAO-NILFDRSVSA-N 1 0 349.456 2.906 20 5 EFBDRO O=C(CC[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375902851 477073217 /nfs/dbraw/zinc/07/32/17/477073217.db2.gz NSWBJTBYTJCIPL-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000431678825 477073304 /nfs/dbraw/zinc/07/33/04/477073304.db2.gz MUJOZVYDGZNXCX-CABCVRRESA-N 1 0 344.371 2.865 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423608481 477083767 /nfs/dbraw/zinc/08/37/67/477083767.db2.gz KKDIIYHGIBQHEP-HNNXBMFYSA-N 1 0 335.404 2.502 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423608483 477084366 /nfs/dbraw/zinc/08/43/66/477084366.db2.gz KKDIIYHGIBQHEP-OAHLLOKOSA-N 1 0 335.404 2.502 20 5 EFBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc([N+](=O)[O-])c1C ZINC000423610086 477084586 /nfs/dbraw/zinc/08/45/86/477084586.db2.gz MNMWTLXZLQYMST-UHFFFAOYSA-N 1 0 347.415 2.518 20 5 EFBDRO Cc1c(CC(=O)N(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000423631154 477093226 /nfs/dbraw/zinc/09/32/26/477093226.db2.gz ZNQOQYHUXQWPSU-UHFFFAOYSA-N 1 0 341.411 2.823 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000423629901 477093368 /nfs/dbraw/zinc/09/33/68/477093368.db2.gz XVKOGWJDPSAXGQ-ONGXEEELSA-N 1 0 343.836 2.597 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000366618968 477101359 /nfs/dbraw/zinc/10/13/59/477101359.db2.gz OFVJIRLSLKISRO-CYBMUJFWSA-N 1 0 330.388 2.717 20 5 EFBDRO Cc1cc(OCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431834363 477103463 /nfs/dbraw/zinc/10/34/63/477103463.db2.gz RFCJERZFUANXLS-HIFRSBDPSA-N 1 0 349.431 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)nc2c1 ZINC000371065451 477107020 /nfs/dbraw/zinc/10/70/20/477107020.db2.gz OZKGROFHOHGXBL-CYBMUJFWSA-N 1 0 331.372 2.985 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000431864715 477112123 /nfs/dbraw/zinc/11/21/23/477112123.db2.gz YBFOKMAARLOCFX-OAHLLOKOSA-N 1 0 349.431 2.519 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000416304058 477113927 /nfs/dbraw/zinc/11/39/27/477113927.db2.gz SUJCZXPABUGFHU-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366654796 477117188 /nfs/dbraw/zinc/11/71/88/477117188.db2.gz MKAIVYKKRGHFPO-LSDHHAIUSA-N 1 0 347.415 2.590 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026615 477119749 /nfs/dbraw/zinc/11/97/49/477119749.db2.gz JBQIGZOXFOYULG-XHSDSOJGSA-N 1 0 349.479 2.985 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423717400 477120839 /nfs/dbraw/zinc/12/08/39/477120839.db2.gz JUDZHHKGTVLXCU-HZPDHXFCSA-N 1 0 345.443 2.982 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423717397 477121800 /nfs/dbraw/zinc/12/18/00/477121800.db2.gz JUDZHHKGTVLXCU-CVEARBPZSA-N 1 0 345.443 2.982 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423736298 477126801 /nfs/dbraw/zinc/12/68/01/477126801.db2.gz FIOFDEVDKPIQJF-MWLCHTKSSA-N 1 0 343.836 2.584 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000423752906 477133415 /nfs/dbraw/zinc/13/34/15/477133415.db2.gz XOJLMEMDJWXVOW-GFCCVEGCSA-N 1 0 333.310 2.728 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000423752909 477134063 /nfs/dbraw/zinc/13/40/63/477134063.db2.gz XOJLMEMDJWXVOW-LBPRGKRZSA-N 1 0 333.310 2.728 20 5 EFBDRO Cc1cc(OCC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000432112806 477159555 /nfs/dbraw/zinc/15/95/55/477159555.db2.gz NJOODHQFWYXJNM-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)CO2 ZINC000453101831 477168114 /nfs/dbraw/zinc/16/81/14/477168114.db2.gz AAUSHOBXDWJZPR-AWEZNQCLSA-N 1 0 344.367 2.705 20 5 EFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423832607 477174514 /nfs/dbraw/zinc/17/45/14/477174514.db2.gz ADYNPBBBLBUSEG-CYBMUJFWSA-N 1 0 327.812 2.889 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423832773 477174611 /nfs/dbraw/zinc/17/46/11/477174611.db2.gz ALMAFQIEZINGHN-LKTVYLICSA-N 1 0 337.807 2.785 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376106545 477178036 /nfs/dbraw/zinc/17/80/36/477178036.db2.gz JWDSVDZJLPCDDC-STQMWFEESA-N 1 0 333.388 2.729 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448553713 477190579 /nfs/dbraw/zinc/19/05/79/477190579.db2.gz DDFHYNFSGVRHOR-UHFFFAOYSA-N 1 0 333.310 2.685 20 5 EFBDRO CS[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432331678 477195930 /nfs/dbraw/zinc/19/59/30/477195930.db2.gz PIFSQGDPFOFLCF-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432338027 477198608 /nfs/dbraw/zinc/19/86/08/477198608.db2.gz VTAPIXYKSOBHBH-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453330559 477208008 /nfs/dbraw/zinc/20/80/08/477208008.db2.gz DRKMLVPXDUCTIV-QEORTHHSSA-N 1 0 330.388 2.899 20 5 EFBDRO CCC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000453359696 477211995 /nfs/dbraw/zinc/21/19/95/477211995.db2.gz UQIYTEBPZRRMJX-KSZLIROESA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453360407 477215054 /nfs/dbraw/zinc/21/50/54/477215054.db2.gz KLLIETGFVAVZTL-KDOFPFPSSA-N 1 0 347.415 2.814 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000453376487 477218107 /nfs/dbraw/zinc/21/81/07/477218107.db2.gz XHVFSMWGBKOAOV-GZBFAFLISA-N 1 0 340.445 2.859 20 5 EFBDRO CC1(C)CCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389751 477220306 /nfs/dbraw/zinc/22/03/06/477220306.db2.gz GKWQHYUVHRDMJQ-HUUCEWRRSA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423958458 477232946 /nfs/dbraw/zinc/23/29/46/477232946.db2.gz BDCZADKUYZHYNV-DLBZAZTESA-N 1 0 339.395 2.697 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000423958573 477233940 /nfs/dbraw/zinc/23/39/40/477233940.db2.gz DRLARDMWECTUQP-SFHVURJKSA-N 1 0 341.411 2.906 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000376219165 477234409 /nfs/dbraw/zinc/23/44/09/477234409.db2.gz MQHRVSOLARZSCY-GFCCVEGCSA-N 1 0 348.403 2.514 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000423968383 477237414 /nfs/dbraw/zinc/23/74/14/477237414.db2.gz KIPLTDSNXIVOMU-KRWDZBQOSA-N 1 0 343.383 2.570 20 5 EFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000366882284 477238854 /nfs/dbraw/zinc/23/88/54/477238854.db2.gz LHGXCSKCELUBBR-PBHICJAKSA-N 1 0 348.378 2.556 20 5 EFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000366882285 477239006 /nfs/dbraw/zinc/23/90/06/477239006.db2.gz LHGXCSKCELUBBR-RHSMWYFYSA-N 1 0 348.378 2.556 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000453582664 477242246 /nfs/dbraw/zinc/24/22/46/477242246.db2.gz WZMKZOVHJIGMLU-HNNXBMFYSA-N 1 0 326.400 2.916 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000453588183 477243249 /nfs/dbraw/zinc/24/32/49/477243249.db2.gz YNJHWBHFCOHYHM-LBPRGKRZSA-N 1 0 338.404 2.907 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000423984667 477245719 /nfs/dbraw/zinc/24/57/19/477245719.db2.gz UPBSEWUBIPCABD-KRWDZBQOSA-N 1 0 327.384 2.895 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423989132 477248753 /nfs/dbraw/zinc/24/87/53/477248753.db2.gz YGGGDKNAKYVHST-MRXNPFEDSA-N 1 0 327.384 2.895 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366906701 477249582 /nfs/dbraw/zinc/24/95/82/477249582.db2.gz YUIHGFUTSIFQPT-CHWSQXEVSA-N 1 0 348.403 2.742 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000371333728 477250148 /nfs/dbraw/zinc/25/01/48/477250148.db2.gz BLMYACGLPVOVDG-AEFFLSMTSA-N 1 0 344.415 2.725 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366906702 477250557 /nfs/dbraw/zinc/25/05/57/477250557.db2.gz YUIHGFUTSIFQPT-OLZOCXBDSA-N 1 0 348.403 2.742 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411483691 477252693 /nfs/dbraw/zinc/25/26/93/477252693.db2.gz CCRHVLSHOONJMJ-QGZVFWFLSA-N 1 0 349.431 2.844 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424005699 477257734 /nfs/dbraw/zinc/25/77/34/477257734.db2.gz SXUSJXYSCDOASL-NEPJUHHUSA-N 1 0 337.445 2.764 20 5 EFBDRO Cc1cccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424030120 477265258 /nfs/dbraw/zinc/26/52/58/477265258.db2.gz DZMIFYYILJKPAQ-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCNC(=O)C1CCC1 ZINC000432787698 477265369 /nfs/dbraw/zinc/26/53/69/477265369.db2.gz UOWRBLOXQWFACJ-BJMVGYQFSA-N 1 0 331.416 2.846 20 5 EFBDRO Cc1sc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424044575 477271975 /nfs/dbraw/zinc/27/19/75/477271975.db2.gz RXYKMLCIUMAFFN-AWEZNQCLSA-N 1 0 337.445 2.815 20 5 EFBDRO Cc1c(CC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000424047140 477273638 /nfs/dbraw/zinc/27/36/38/477273638.db2.gz WOKHJEFUOYGXDN-GOSISDBHSA-N 1 0 345.443 2.682 20 5 EFBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411601159 477289403 /nfs/dbraw/zinc/28/94/03/477289403.db2.gz GHNGVMAGLKRRNA-CYBMUJFWSA-N 1 0 335.404 2.549 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000424117795 477298598 /nfs/dbraw/zinc/29/85/98/477298598.db2.gz ZHJQLRBORVPRBU-IINYFYTJSA-N 1 0 338.795 2.806 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000371412059 477301619 /nfs/dbraw/zinc/30/16/19/477301619.db2.gz DGSUUZBLVSFURF-VMPITWQZSA-N 1 0 329.400 2.695 20 5 EFBDRO CCn1cccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1=O ZINC000433060233 477304510 /nfs/dbraw/zinc/30/45/10/477304510.db2.gz GJFYWMORYHRCAS-AWEZNQCLSA-N 1 0 329.400 2.887 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC2(N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433090567 477306574 /nfs/dbraw/zinc/30/65/74/477306574.db2.gz IPKQAWLZPGREST-QGZVFWFLSA-N 1 0 345.443 2.772 20 5 EFBDRO O=C1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000433096840 477307339 /nfs/dbraw/zinc/30/73/39/477307339.db2.gz JJHORKQCRSFCHT-NUEKZKHPSA-N 1 0 331.416 2.564 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411649517 477309312 /nfs/dbraw/zinc/30/93/12/477309312.db2.gz RKXGQCAJEMZVFX-CYBMUJFWSA-N 1 0 337.420 2.842 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000458185199 477309879 /nfs/dbraw/zinc/30/98/79/477309879.db2.gz GVUJFYXMNWYAAF-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000433240008 477319405 /nfs/dbraw/zinc/31/94/05/477319405.db2.gz JZWUZBFFFFJCRW-KBXCAEBGSA-N 1 0 347.459 2.875 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000433763351 477326400 /nfs/dbraw/zinc/32/64/00/477326400.db2.gz AGUPSVRTUWPZDP-CYBMUJFWSA-N 1 0 349.435 2.532 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000376448821 477340124 /nfs/dbraw/zinc/34/01/24/477340124.db2.gz KJYDVZBQTHEQQP-UBULPXNDSA-N 1 0 329.400 2.693 20 5 EFBDRO Cn1cc(C[NH+]2CCC3(CCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367092428 477340998 /nfs/dbraw/zinc/34/09/98/477340998.db2.gz OKCNQTFSMYMIBN-UHFFFAOYSA-N 1 0 342.399 2.750 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448953975 477356975 /nfs/dbraw/zinc/35/69/75/477356975.db2.gz ITNXNHJQOCAPCE-MRXNPFEDSA-N 1 0 347.415 2.548 20 5 EFBDRO Cc1ncsc1CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000435739306 477362578 /nfs/dbraw/zinc/36/25/78/477362578.db2.gz WPMLJOVXXTTZGU-CQSZACIVSA-N 1 0 346.456 2.971 20 5 EFBDRO COc1ccnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314267 477368430 /nfs/dbraw/zinc/36/84/30/477368430.db2.gz ZUOAHWRXHPRAPP-ZFWWWQNUSA-N 1 0 342.399 2.894 20 5 EFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411828244 477384371 /nfs/dbraw/zinc/38/43/71/477384371.db2.gz UZZRIEANCGKFMW-MRXNPFEDSA-N 1 0 335.404 2.814 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411832702 477385488 /nfs/dbraw/zinc/38/54/88/477385488.db2.gz FOOJAOQHISJIHM-UHFFFAOYSA-N 1 0 328.372 2.773 20 5 EFBDRO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449027614 477396889 /nfs/dbraw/zinc/39/68/89/477396889.db2.gz JEWNVCMTNLDDRH-OAHLLOKOSA-N 1 0 342.399 2.993 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000411965452 477398299 /nfs/dbraw/zinc/39/82/99/477398299.db2.gz FKCJEIKDEOZQRH-SJKOYZFVSA-N 1 0 335.404 2.635 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000367218974 477400213 /nfs/dbraw/zinc/40/02/13/477400213.db2.gz LGLLBURONFXHNT-ZIAGYGMSSA-N 1 0 347.415 2.692 20 5 EFBDRO Cc1c(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000454863693 477409264 /nfs/dbraw/zinc/40/92/64/477409264.db2.gz YZTVLDGBXLZQEM-UHFFFAOYSA-N 1 0 346.431 2.719 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000449069069 477420318 /nfs/dbraw/zinc/42/03/18/477420318.db2.gz VTWLJEVWOIIOCD-DZGCQCFKSA-N 1 0 328.368 2.955 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412396440 477421683 /nfs/dbraw/zinc/42/16/83/477421683.db2.gz IDYOUVKMNFTMIT-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000449090562 477434457 /nfs/dbraw/zinc/43/44/57/477434457.db2.gz GZQXOAMDGZCQGC-RDJZCZTQSA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000449103352 477440955 /nfs/dbraw/zinc/44/09/55/477440955.db2.gz PSWBTAYKBJZYJZ-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCCO)cc1 ZINC000449131958 477452917 /nfs/dbraw/zinc/45/29/17/477452917.db2.gz QQQRLHAJTKXAOW-CQSZACIVSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000412997613 477466602 /nfs/dbraw/zinc/46/66/02/477466602.db2.gz WZRPRBDKIUZMEX-JTQLQIEISA-N 1 0 331.214 2.817 20 5 EFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000436384558 477473517 /nfs/dbraw/zinc/47/35/17/477473517.db2.gz GMWCLIUQZVIRAL-JNTIUJHMSA-N 1 0 334.416 2.764 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418424094 477474581 /nfs/dbraw/zinc/47/45/81/477474581.db2.gz JZXGEYBNJXLHJM-WMLDXEAASA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449218344 477492532 /nfs/dbraw/zinc/49/25/32/477492532.db2.gz HNBOWIPXSQIDHR-CYBMUJFWSA-N 1 0 348.424 2.892 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000455093543 477497099 /nfs/dbraw/zinc/49/70/99/477497099.db2.gz CGLCTSAGCWQVOP-KRWDZBQOSA-N 1 0 348.403 2.553 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000449270360 477517118 /nfs/dbraw/zinc/51/71/18/477517118.db2.gz QKDRNOMUBAXCBL-ZDUSSCGKSA-N 1 0 343.431 2.816 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000449280775 477521415 /nfs/dbraw/zinc/52/14/15/477521415.db2.gz BKIIFYZLLUZUSY-CVEARBPZSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1Cc2ccccc2C1 ZINC000449292537 477529737 /nfs/dbraw/zinc/52/97/37/477529737.db2.gz DGDRJKFUFQANIP-CQSZACIVSA-N 1 0 339.395 2.658 20 5 EFBDRO CNC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449303319 477534409 /nfs/dbraw/zinc/53/44/09/477534409.db2.gz XVJXLWJGYUJGMA-RHSMWYFYSA-N 1 0 341.411 2.993 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000449309717 477538074 /nfs/dbraw/zinc/53/80/74/477538074.db2.gz FEUUQFVJPRVPPF-QGPMSJSTSA-N 1 0 348.443 2.683 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000413166666 477550106 /nfs/dbraw/zinc/55/01/06/477550106.db2.gz KKGHGENPYQNBDG-CABCVRRESA-N 1 0 347.415 2.739 20 5 EFBDRO C[NH+](C)[C@]1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000413168904 477551644 /nfs/dbraw/zinc/55/16/44/477551644.db2.gz KHIIJAQWDVYKID-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO Cc1c(CNC(=O)NC(C)(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000458695687 477551691 /nfs/dbraw/zinc/55/16/91/477551691.db2.gz QDWQQXSQQLBWJD-UHFFFAOYSA-N 1 0 336.436 2.823 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413170032 477552161 /nfs/dbraw/zinc/55/21/61/477552161.db2.gz LJGSQJHJQLKIJH-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449360836 477561084 /nfs/dbraw/zinc/56/10/84/477561084.db2.gz JSSOOYATKTZTEY-GUYCJALGSA-N 1 0 332.375 2.858 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])cc1F ZINC000413186545 477561548 /nfs/dbraw/zinc/56/15/48/477561548.db2.gz BXCLCGAUIZTTHS-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413236577 477583883 /nfs/dbraw/zinc/58/38/83/477583883.db2.gz BXRNFSAQZGJHET-UHFFFAOYSA-N 1 0 332.326 2.929 20 5 EFBDRO COc1cc(C(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000419912873 477585553 /nfs/dbraw/zinc/58/55/53/477585553.db2.gz XSKWAVCYBGYDJL-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000419912870 477586044 /nfs/dbraw/zinc/58/60/44/477586044.db2.gz XRVLPVYNPSDNGL-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO CCc1cc(N2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420124948 477625721 /nfs/dbraw/zinc/62/57/21/477625721.db2.gz SLNUQIKNWNWWDI-CYBMUJFWSA-N 1 0 327.388 2.542 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425066052 477627222 /nfs/dbraw/zinc/62/72/22/477627222.db2.gz NBHYURJSVDQFJK-BLLLJJGKSA-N 1 0 349.406 2.564 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425065054 477627294 /nfs/dbraw/zinc/62/72/94/477627294.db2.gz JVWCRMBVPXGXKJ-SOLBZPMBSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+](C2CC2)C1 ZINC000413322859 477628488 /nfs/dbraw/zinc/62/84/88/477628488.db2.gz HOPAOSAMSXVYCP-SNVBAGLBSA-N 1 0 344.337 2.929 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000372088125 477633184 /nfs/dbraw/zinc/63/31/84/477633184.db2.gz JMJUPWBJMXHIGX-CQSZACIVSA-N 1 0 335.404 2.672 20 5 EFBDRO C[N@H+](CCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000413344428 477637759 /nfs/dbraw/zinc/63/77/59/477637759.db2.gz CTKONHKOZARZNU-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250213 477649101 /nfs/dbraw/zinc/64/91/01/477649101.db2.gz ZFJMKVXRBQUFCK-INIZCTEOSA-N 1 0 348.447 2.923 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2CCOCC2)n1 ZINC000367723839 477656684 /nfs/dbraw/zinc/65/66/84/477656684.db2.gz NFPUXLFORCXJCP-QGZVFWFLSA-N 1 0 330.388 2.549 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2nccn2C)C1 ZINC000377135362 477659818 /nfs/dbraw/zinc/65/98/18/477659818.db2.gz BDXMMQUCJJNBIN-ZDUSSCGKSA-N 1 0 328.372 2.915 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000413409111 477668066 /nfs/dbraw/zinc/66/80/66/477668066.db2.gz PCRUUUJSIVPLNH-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372157766 477668370 /nfs/dbraw/zinc/66/83/70/477668370.db2.gz QTENADPYHCSTKX-LSDHHAIUSA-N 1 0 347.415 2.590 20 5 EFBDRO COCCN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425402817 477682038 /nfs/dbraw/zinc/68/20/38/477682038.db2.gz HLBXKHDUHFHBEO-UHFFFAOYSA-N 1 0 329.194 2.968 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419755 477682074 /nfs/dbraw/zinc/68/20/74/477682074.db2.gz LKFXXEFYJFWYNN-WDEREUQCSA-N 1 0 342.237 2.882 20 5 EFBDRO Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2cccc([N+](=O)[O-])c2n1 ZINC000450792635 477718321 /nfs/dbraw/zinc/71/83/21/477718321.db2.gz OJYBVMUIYQDQIU-OKILXGFUSA-N 1 0 342.399 2.727 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000372293452 477740094 /nfs/dbraw/zinc/74/00/94/477740094.db2.gz DTYIYKNEIQUBMJ-DZGCQCFKSA-N 1 0 347.415 2.813 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420391306 477741703 /nfs/dbraw/zinc/74/17/03/477741703.db2.gz RYRWDAIPLLSHHB-FUHWJXTLSA-N 1 0 345.374 2.539 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377328492 477742407 /nfs/dbraw/zinc/74/24/07/477742407.db2.gz BYXSFZOHEZMQMJ-QWRGUYRKSA-N 1 0 338.795 2.997 20 5 EFBDRO CN(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000450883059 477748351 /nfs/dbraw/zinc/74/83/51/477748351.db2.gz OZFSBBSNZIWZRU-UHFFFAOYSA-N 1 0 343.431 2.560 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000426881246 477755934 /nfs/dbraw/zinc/75/59/34/477755934.db2.gz CVGRKQAJYKCWDQ-MRXNPFEDSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420422345 477756717 /nfs/dbraw/zinc/75/67/17/477756717.db2.gz ZHGYAJYMPMNWFD-KRWDZBQOSA-N 1 0 327.384 2.620 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426898992 477757775 /nfs/dbraw/zinc/75/77/75/477757775.db2.gz XYGWLFXUTUYKCG-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[NH+](C)C1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000420623559 477762033 /nfs/dbraw/zinc/76/20/33/477762033.db2.gz HTNAAICMMBVSIO-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO CC[NH+]1CCN(CC(C)(C)Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000450924210 477763046 /nfs/dbraw/zinc/76/30/46/477763046.db2.gz TWXNNZZTIPIHAR-UHFFFAOYSA-N 1 0 338.427 2.870 20 5 EFBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372348796 477765194 /nfs/dbraw/zinc/76/51/94/477765194.db2.gz YCWYQPPYSINFMY-WBVHZDCISA-N 1 0 341.411 2.710 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427212925 477767067 /nfs/dbraw/zinc/76/70/67/477767067.db2.gz OFPRZKYHIAXYND-UHFFFAOYSA-N 1 0 347.337 2.528 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccccc3Cl)CC2)c1 ZINC000450995346 477786687 /nfs/dbraw/zinc/78/66/87/477786687.db2.gz DHGGGFKNAGUZSH-UHFFFAOYSA-N 1 0 349.822 2.657 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000438012913 477787485 /nfs/dbraw/zinc/78/74/85/477787485.db2.gz QZCMLGXVYHLMSS-TXEJJXNPSA-N 1 0 327.331 2.523 20 5 EFBDRO Cc1c(CNC(=O)NC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000420833408 477788672 /nfs/dbraw/zinc/78/86/72/477788672.db2.gz GHESHVULCGCWJA-UHFFFAOYSA-N 1 0 334.420 2.575 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000456168938 477806610 /nfs/dbraw/zinc/80/66/10/477806610.db2.gz MBRVOCJWBZLEKR-UHFFFAOYSA-N 1 0 325.384 2.513 20 5 EFBDRO COc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000456171515 477807481 /nfs/dbraw/zinc/80/74/81/477807481.db2.gz OMRVRJBBDVACQI-UHFFFAOYSA-N 1 0 337.420 2.762 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420939181 477839845 /nfs/dbraw/zinc/83/98/45/477839845.db2.gz LRBNGJWBKOGHNJ-FRRDWIJNSA-N 1 0 346.387 2.656 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459324521 477843119 /nfs/dbraw/zinc/84/31/19/477843119.db2.gz VLEKETXTCXLVEH-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000493823613 477843646 /nfs/dbraw/zinc/84/36/46/477843646.db2.gz NVTYYPBNMFDSRQ-DFGFTWQDSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418476 477865830 /nfs/dbraw/zinc/86/58/30/477865830.db2.gz HDCUNLKTKNOEDL-LSDHHAIUSA-N 1 0 348.447 2.632 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000438565142 477866098 /nfs/dbraw/zinc/86/60/98/477866098.db2.gz BPFXUXISUHRRDN-UHFFFAOYSA-N 1 0 346.362 2.673 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456341420 477872965 /nfs/dbraw/zinc/87/29/65/477872965.db2.gz FISZPVCUHGNGNJ-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456344633 477874085 /nfs/dbraw/zinc/87/40/85/477874085.db2.gz HJCVPMXYBJMOOS-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438717109 477879943 /nfs/dbraw/zinc/87/99/43/477879943.db2.gz JDDFXXWISGSDCJ-WMZOPIPTSA-N 1 0 346.431 2.790 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421001722 477890894 /nfs/dbraw/zinc/89/08/94/477890894.db2.gz LTMJRXZUTSGXLM-IUODEOHRSA-N 1 0 345.403 2.732 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000438837840 477891116 /nfs/dbraw/zinc/89/11/16/477891116.db2.gz TYIOSRQFQSXZSV-CJNGLKHVSA-N 1 0 333.432 2.777 20 5 EFBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccsc1 ZINC000421009656 477895604 /nfs/dbraw/zinc/89/56/04/477895604.db2.gz NHXRRDFMIGZNHE-IUODEOHRSA-N 1 0 338.433 2.685 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421008004 477897096 /nfs/dbraw/zinc/89/70/96/477897096.db2.gz CWPCYPNITKHTGS-OAHLLOKOSA-N 1 0 349.431 2.716 20 5 EFBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[N@@H+]1C ZINC000421011095 477898433 /nfs/dbraw/zinc/89/84/33/477898433.db2.gz RUWGFMBLPTXOBV-INIZCTEOSA-N 1 0 330.388 2.776 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456377610 477898759 /nfs/dbraw/zinc/89/87/59/477898759.db2.gz LVLYXNALFXDYGN-CYBMUJFWSA-N 1 0 339.823 2.733 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438903071 477903627 /nfs/dbraw/zinc/90/36/27/477903627.db2.gz PQWZGTJPVIHERJ-UONOGXRCSA-N 1 0 333.432 2.825 20 5 EFBDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276845 477918305 /nfs/dbraw/zinc/91/83/05/477918305.db2.gz OCUPQCUHTNCSBM-CVEARBPZSA-N 1 0 340.445 2.783 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428533363 477922066 /nfs/dbraw/zinc/92/20/66/477922066.db2.gz GXDSZEFHRFVDDF-FUHWJXTLSA-N 1 0 330.359 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428542747 477925598 /nfs/dbraw/zinc/92/55/98/477925598.db2.gz YFNKFXPMMMOIOL-ROUUACIJSA-N 1 0 330.359 2.990 20 5 EFBDRO NC(=O)c1cccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000439134071 477934337 /nfs/dbraw/zinc/93/43/37/477934337.db2.gz NCEYXYIUSHQTSL-CQSZACIVSA-N 1 0 344.371 2.536 20 5 EFBDRO Cc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000439162536 477939263 /nfs/dbraw/zinc/93/92/63/477939263.db2.gz QCNBUSKTWVXTOL-MRXNPFEDSA-N 1 0 342.399 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC(F)F)o1 ZINC000428649319 477948879 /nfs/dbraw/zinc/94/88/79/477948879.db2.gz KYONZEZXWZZHGR-JTQLQIEISA-N 1 0 326.299 2.961 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)F)o2)cc1 ZINC000428652220 477950039 /nfs/dbraw/zinc/95/00/39/477950039.db2.gz RTDSFACPQLQFMF-NSHDSACASA-N 1 0 326.299 2.961 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000456525067 477964660 /nfs/dbraw/zinc/96/46/60/477964660.db2.gz QCZXTIOLAGIZBB-AWEZNQCLSA-N 1 0 333.432 2.815 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456523712 477964811 /nfs/dbraw/zinc/96/48/11/477964811.db2.gz FQGZXLDQTNCTQF-OLZOCXBDSA-N 1 0 337.395 2.780 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532675233 477969339 /nfs/dbraw/zinc/96/93/39/477969339.db2.gz BKEZIBZRQATHDU-CYBMUJFWSA-N 1 0 334.372 2.527 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000456539749 477973292 /nfs/dbraw/zinc/97/32/92/477973292.db2.gz YVWPJQZVPPIREH-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000428774391 477980031 /nfs/dbraw/zinc/98/00/31/477980031.db2.gz VTJODFSOSJRGKR-KRWDZBQOSA-N 1 0 346.408 2.973 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000494459333 477991312 /nfs/dbraw/zinc/99/13/12/477991312.db2.gz XHNRJDPZJYMKRE-AEFFLSMTSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000494480334 477995035 /nfs/dbraw/zinc/99/50/35/477995035.db2.gz ZDQLNDYCDUQFSX-DOTOQJQBSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000516870712 478002360 /nfs/dbraw/zinc/00/23/60/478002360.db2.gz LDYIJLVMIIZKES-IBGZPJMESA-N 1 0 339.395 2.989 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451414588 478003133 /nfs/dbraw/zinc/00/31/33/478003133.db2.gz IJGYAAOCBMPIDY-GVDBMIGSSA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459609227 478009214 /nfs/dbraw/zinc/00/92/14/478009214.db2.gz JBUUNJJCJYIPKK-GTNSWQLSSA-N 1 0 349.387 2.820 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000516921936 478012456 /nfs/dbraw/zinc/01/24/56/478012456.db2.gz XTTWTWPLTGORTC-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532991107 478018517 /nfs/dbraw/zinc/01/85/17/478018517.db2.gz CMIGRJHRTVGAEC-AWEZNQCLSA-N 1 0 348.447 2.734 20 5 EFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000428989228 478023028 /nfs/dbraw/zinc/02/30/28/478023028.db2.gz BYNDGVLRJNQVMV-GRDNDAEWSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000428994002 478023866 /nfs/dbraw/zinc/02/38/66/478023866.db2.gz DUYVILKJIAINRT-GRDNDAEWSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451451861 478024129 /nfs/dbraw/zinc/02/41/29/478024129.db2.gz BNMFFNBIYSWPAL-HNNXBMFYSA-N 1 0 333.388 2.854 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000428999581 478030278 /nfs/dbraw/zinc/03/02/78/478030278.db2.gz VDSPKHHVCBKGDJ-XJKCOSOUSA-N 1 0 344.415 2.898 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451474150 478036724 /nfs/dbraw/zinc/03/67/24/478036724.db2.gz ADSFIHMYGJUBFZ-VUCTXSBTSA-N 1 0 347.415 2.635 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451474148 478036941 /nfs/dbraw/zinc/03/69/41/478036941.db2.gz ADSFIHMYGJUBFZ-JCURWCKSSA-N 1 0 347.415 2.635 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429021726 478039411 /nfs/dbraw/zinc/03/94/11/478039411.db2.gz ROJLPTPCKPALKZ-IIDMSEBBSA-N 1 0 333.432 2.636 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451481152 478040787 /nfs/dbraw/zinc/04/07/87/478040787.db2.gz AHHVCBSLRFEIPG-SUMWQHHRSA-N 1 0 346.387 2.938 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451481509 478041322 /nfs/dbraw/zinc/04/13/22/478041322.db2.gz RHHGYGYSEZBQRY-HZPDHXFCSA-N 1 0 347.415 2.779 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451480796 478041658 /nfs/dbraw/zinc/04/16/58/478041658.db2.gz QBXGOWBIEZCPHQ-VBNZEHGJSA-N 1 0 347.415 2.859 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451483476 478043472 /nfs/dbraw/zinc/04/34/72/478043472.db2.gz FGXDDPWQKZVRAU-RHSMWYFYSA-N 1 0 335.404 2.635 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421351293 478046088 /nfs/dbraw/zinc/04/60/88/478046088.db2.gz NVBPHKZJQNIJID-XTBTUZTQSA-N 1 0 331.416 2.879 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000494706342 478052010 /nfs/dbraw/zinc/05/20/10/478052010.db2.gz DWKZHBFKYPQMEF-NSHDSACASA-N 1 0 348.428 2.966 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451504092 478055816 /nfs/dbraw/zinc/05/58/16/478055816.db2.gz JLAKDYTWOMFCLK-VCTAVGKDSA-N 1 0 346.387 2.794 20 5 EFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459719734 478056211 /nfs/dbraw/zinc/05/62/11/478056211.db2.gz RZXIHKGQIPEYFA-CQSZACIVSA-N 1 0 335.404 2.814 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451506337 478056878 /nfs/dbraw/zinc/05/68/78/478056878.db2.gz RYFMUUPXCWLTAD-QWHCGFSZSA-N 1 0 341.795 2.590 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451506334 478057500 /nfs/dbraw/zinc/05/75/00/478057500.db2.gz RYFMUUPXCWLTAD-OLZOCXBDSA-N 1 0 341.795 2.590 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451523432 478064095 /nfs/dbraw/zinc/06/40/95/478064095.db2.gz CWYQWZFBMAEPCS-PBHICJAKSA-N 1 0 349.431 2.979 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451523062 478064296 /nfs/dbraw/zinc/06/42/96/478064296.db2.gz CGRTUDNNMQJLOP-BBRMVZONSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000533349131 478067130 /nfs/dbraw/zinc/06/71/30/478067130.db2.gz RJAGYUQNSAXMJP-QGZVFWFLSA-N 1 0 348.447 2.905 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000459737328 478067467 /nfs/dbraw/zinc/06/74/67/478067467.db2.gz HUDIOYDOKKUDST-RHSMWYFYSA-N 1 0 344.411 2.900 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000459737338 478067572 /nfs/dbraw/zinc/06/75/72/478067572.db2.gz HUDIOYDOKKUDST-YOEHRIQHSA-N 1 0 344.411 2.900 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459742815 478069911 /nfs/dbraw/zinc/06/99/11/478069911.db2.gz CZJJRPKKAQGBRG-CVEARBPZSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459746484 478070879 /nfs/dbraw/zinc/07/08/79/478070879.db2.gz FNICZWUXRBPHLB-JKSUJKDBSA-N 1 0 347.415 2.779 20 5 EFBDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421398307 478074348 /nfs/dbraw/zinc/07/43/48/478074348.db2.gz YMTLCCXDPVMJTO-AWEZNQCLSA-N 1 0 329.356 2.565 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451541039 478076782 /nfs/dbraw/zinc/07/67/82/478076782.db2.gz LFUSWBDUCXNENV-SUMWQHHRSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543193 478078172 /nfs/dbraw/zinc/07/81/72/478078172.db2.gz BGGMGNQEUSWRSW-SJLPKXTDSA-N 1 0 336.432 2.950 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451544922 478079806 /nfs/dbraw/zinc/07/98/06/478079806.db2.gz QINLDLZMPVZINN-WMLDXEAASA-N 1 0 349.431 2.979 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000451545409 478080492 /nfs/dbraw/zinc/08/04/92/478080492.db2.gz HCOUEMSYLGUXJD-YTQUADARSA-N 1 0 345.443 2.637 20 5 EFBDRO CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545526 478081393 /nfs/dbraw/zinc/08/13/93/478081393.db2.gz HPNZOTGLQFDKTR-WBVHZDCISA-N 1 0 331.416 2.784 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000451546856 478083303 /nfs/dbraw/zinc/08/33/03/478083303.db2.gz KBRJTYKGKMVSON-AWEZNQCLSA-N 1 0 328.372 2.773 20 5 EFBDRO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548750 478084050 /nfs/dbraw/zinc/08/40/50/478084050.db2.gz OGSSWXHSXGVOCC-SJLPKXTDSA-N 1 0 336.432 2.808 20 5 EFBDRO CO[C@@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000459772063 478085341 /nfs/dbraw/zinc/08/53/41/478085341.db2.gz RWJJNOFLENHOTE-UONOGXRCSA-N 1 0 344.371 2.692 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccn(C)n1 ZINC000459779452 478087170 /nfs/dbraw/zinc/08/71/70/478087170.db2.gz FWQQGVPOVIKUMS-LBPRGKRZSA-N 1 0 341.371 2.877 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000429243195 478087470 /nfs/dbraw/zinc/08/74/70/478087470.db2.gz CFPGYACHGQDFDJ-CYBMUJFWSA-N 1 0 334.372 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C\c3ccncc3)C2)nc1 ZINC000494938780 478087996 /nfs/dbraw/zinc/08/79/96/478087996.db2.gz PCILWEWSLFXMSK-DJYNDVHFSA-N 1 0 325.372 2.584 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000517395426 478088028 /nfs/dbraw/zinc/08/80/28/478088028.db2.gz GHDSHTIDTISDAH-UHFFFAOYSA-N 1 0 344.415 2.704 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459793979 478095712 /nfs/dbraw/zinc/09/57/12/478095712.db2.gz VVULAHQGAHEDJU-XBFCOCLRSA-N 1 0 333.388 2.710 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459793978 478095808 /nfs/dbraw/zinc/09/58/08/478095808.db2.gz VVULAHQGAHEDJU-KWCYVHTRSA-N 1 0 333.388 2.710 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487987997 478101144 /nfs/dbraw/zinc/10/11/44/478101144.db2.gz MCEYKELPAGJKIH-DZGCQCFKSA-N 1 0 349.431 2.979 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000429290403 478101629 /nfs/dbraw/zinc/10/16/29/478101629.db2.gz ZUBFMGUXJYKFCG-CYBMUJFWSA-N 1 0 337.445 2.998 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517589225 478107536 /nfs/dbraw/zinc/10/75/36/478107536.db2.gz XQYAHBBHCFORLQ-GJZGRUSLSA-N 1 0 347.415 2.627 20 5 EFBDRO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488038650 478110211 /nfs/dbraw/zinc/11/02/11/478110211.db2.gz HTGLGOLBCRQAAF-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO COc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])cc1F ZINC000429319585 478111323 /nfs/dbraw/zinc/11/13/23/478111323.db2.gz SBMFBUIJXMJPTG-LBPRGKRZSA-N 1 0 332.331 2.705 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000451593586 478114080 /nfs/dbraw/zinc/11/40/80/478114080.db2.gz CWKQBEOPNOWMRA-CZUORRHYSA-N 1 0 326.343 2.760 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000534279543 478135001 /nfs/dbraw/zinc/13/50/01/478135001.db2.gz SBMWDARZBZQNRF-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000429480751 478141617 /nfs/dbraw/zinc/14/16/17/478141617.db2.gz KWEJEXGDWNWRFE-CYBMUJFWSA-N 1 0 327.384 2.864 20 5 EFBDRO Cn1cc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000518062734 478142392 /nfs/dbraw/zinc/14/23/92/478142392.db2.gz HWTSTQHPNFXTAB-QGZVFWFLSA-N 1 0 344.415 2.833 20 5 EFBDRO CCC(=O)c1ccc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000440648627 478145259 /nfs/dbraw/zinc/14/52/59/478145259.db2.gz JTODJGGPWVRJGB-UHFFFAOYSA-N 1 0 348.447 2.625 20 5 EFBDRO CC[N@H+](CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000534497362 478155263 /nfs/dbraw/zinc/15/52/63/478155263.db2.gz DBZMGNFAJFNCKW-UHFFFAOYSA-N 1 0 343.431 2.924 20 5 EFBDRO Cc1cccc2c1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000429584920 478159359 /nfs/dbraw/zinc/15/93/59/478159359.db2.gz HKUILMKVZKQLNR-INIZCTEOSA-N 1 0 342.395 2.701 20 5 EFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518334062 478159754 /nfs/dbraw/zinc/15/97/54/478159754.db2.gz XREFTOJBZPSFJP-KRWDZBQOSA-N 1 0 343.383 2.555 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000440823966 478167237 /nfs/dbraw/zinc/16/72/37/478167237.db2.gz XDINKCNGRXABJT-IBGZPJMESA-N 1 0 342.395 2.787 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000518527815 478175341 /nfs/dbraw/zinc/17/53/41/478175341.db2.gz HSQKIVOFAKRZKU-KRWDZBQOSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)C1 ZINC000488737467 478176908 /nfs/dbraw/zinc/17/69/08/478176908.db2.gz RZIDUKBJAWYZCN-ZENOOKHLSA-N 1 0 341.415 2.705 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451726425 478179829 /nfs/dbraw/zinc/17/98/29/478179829.db2.gz TZKLTDFIDFCEEO-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451731082 478181734 /nfs/dbraw/zinc/18/17/34/478181734.db2.gz QGXIRSGENCITMU-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000535004185 478183771 /nfs/dbraw/zinc/18/37/71/478183771.db2.gz FKBQFZDSCBKCGS-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429762831 478188072 /nfs/dbraw/zinc/18/80/72/478188072.db2.gz QUCVIPBHKHDHGF-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000518756480 478188237 /nfs/dbraw/zinc/18/82/37/478188237.db2.gz NQQDQGYXWPMCOL-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000451785172 478202500 /nfs/dbraw/zinc/20/25/00/478202500.db2.gz OTJYYJHAJNJYNA-KGLIPLIRSA-N 1 0 336.388 2.815 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](C)C[NH+](C)C ZINC000488986149 478208782 /nfs/dbraw/zinc/20/87/82/478208782.db2.gz QMYKLOMDDVHOBO-SNVBAGLBSA-N 1 0 327.356 2.520 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000519086571 478209064 /nfs/dbraw/zinc/20/90/64/478209064.db2.gz BDMKPAJSRKYIAG-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519142019 478211745 /nfs/dbraw/zinc/21/17/45/478211745.db2.gz VLAQXEIQZKODTJ-JGGQBBKZSA-N 1 0 340.445 2.598 20 5 EFBDRO C[NH+](C)CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000536232375 478244792 /nfs/dbraw/zinc/24/47/92/478244792.db2.gz LBVTYSYXFOGKBV-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccncc2)C1 ZINC000562444221 478249882 /nfs/dbraw/zinc/24/98/82/478249882.db2.gz NYVNZXYJQDLDLU-UKRRQHHQSA-N 1 0 340.383 2.806 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccncc2)C1 ZINC000562444222 478249962 /nfs/dbraw/zinc/24/99/62/478249962.db2.gz NYVNZXYJQDLDLU-ZFWWWQNUSA-N 1 0 340.383 2.806 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590646741 478275499 /nfs/dbraw/zinc/27/54/99/478275499.db2.gz CPGYBUGCSMPDJZ-AKAXFMLLSA-N 1 0 344.415 2.636 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCOC3(CCC3)C1)OCCO2 ZINC000590658328 478277296 /nfs/dbraw/zinc/27/72/96/478277296.db2.gz DCRLYJSXSHTFGR-CYBMUJFWSA-N 1 0 348.399 2.805 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCOC3(CCC3)C1)OCCO2 ZINC000590658348 478277320 /nfs/dbraw/zinc/27/73/20/478277320.db2.gz DCRLYJSXSHTFGR-ZDUSSCGKSA-N 1 0 348.399 2.805 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000594214653 478277817 /nfs/dbraw/zinc/27/78/17/478277817.db2.gz NPUUPOCAFFIIFH-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536883165 478278456 /nfs/dbraw/zinc/27/84/56/478278456.db2.gz RJYZHQDVAKSSFQ-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594216762 478279022 /nfs/dbraw/zinc/27/90/22/478279022.db2.gz MMPHVHMBQYPMNJ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590665814 478281025 /nfs/dbraw/zinc/28/10/25/478281025.db2.gz PHLWLZXDLJXRRG-OAHLLOKOSA-N 1 0 347.415 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCn3ccnc3C2)nc1-c1ccccc1 ZINC000489891722 478283315 /nfs/dbraw/zinc/28/33/15/478283315.db2.gz GRKSQAOHJWJFDV-AWEZNQCLSA-N 1 0 335.367 2.702 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000537093955 478285837 /nfs/dbraw/zinc/28/58/37/478285837.db2.gz ILTYJFWYQJGBDZ-DVOMOZLQSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000537291353 478295244 /nfs/dbraw/zinc/29/52/44/478295244.db2.gz OIEGPOOYFQTVPP-CQSZACIVSA-N 1 0 337.376 2.676 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000579463538 478303016 /nfs/dbraw/zinc/30/30/16/478303016.db2.gz YJJWFGPVQYDYIN-CABCVRRESA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463491 478303396 /nfs/dbraw/zinc/30/33/96/478303396.db2.gz VTBATJCSHJDWGX-IPYPFGDCSA-N 1 0 346.383 2.841 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000562664404 478304738 /nfs/dbraw/zinc/30/47/38/478304738.db2.gz UDSREGOCTCONBR-ZDUSSCGKSA-N 1 0 327.388 2.704 20 5 EFBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000590723253 478307103 /nfs/dbraw/zinc/30/71/03/478307103.db2.gz CZDFRXVYFKEFEG-HNNXBMFYSA-N 1 0 326.400 2.948 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594281052 478317322 /nfs/dbraw/zinc/31/73/22/478317322.db2.gz BDLRWTFUCSAYCO-DOTOQJQBSA-N 1 0 346.431 2.753 20 5 EFBDRO O=C1CCCN1CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562716819 478328448 /nfs/dbraw/zinc/32/84/48/478328448.db2.gz ZESRRRSEAZTVJA-INIZCTEOSA-N 1 0 331.416 2.787 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000570306747 478332995 /nfs/dbraw/zinc/33/29/95/478332995.db2.gz VFGNVPZIJJFJBN-INIZCTEOSA-N 1 0 333.432 2.779 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000600310972 478333611 /nfs/dbraw/zinc/33/36/11/478333611.db2.gz MHKRFVVUUIIEEE-GFCCVEGCSA-N 1 0 331.372 2.803 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000600315335 478336256 /nfs/dbraw/zinc/33/62/56/478336256.db2.gz SEFSZLNRGVELPR-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO CN(CCN1CCCC1=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000562764865 478345272 /nfs/dbraw/zinc/34/52/72/478345272.db2.gz ZBLKQVWIADZBRW-UHFFFAOYSA-N 1 0 345.321 2.668 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000594389152 478356657 /nfs/dbraw/zinc/35/66/57/478356657.db2.gz FWXPZERHOINDGD-UHFFFAOYSA-N 1 0 333.432 2.779 20 5 EFBDRO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000570505424 478373783 /nfs/dbraw/zinc/37/37/83/478373783.db2.gz DOWKEOSHQPAUET-ILXRZTDVSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000570505425 478374904 /nfs/dbraw/zinc/37/49/04/478374904.db2.gz DOWKEOSHQPAUET-KFWWJZLASA-N 1 0 333.432 2.935 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCc1ccccc1F ZINC000570509544 478376036 /nfs/dbraw/zinc/37/60/36/478376036.db2.gz DBACUCJQZDHYOS-HNNXBMFYSA-N 1 0 348.374 2.696 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597532839 478398729 /nfs/dbraw/zinc/39/87/29/478398729.db2.gz LSGSOOPNTVTEKB-USXIJHARSA-N 1 0 333.432 2.762 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597532379 478398780 /nfs/dbraw/zinc/39/87/80/478398780.db2.gz JPYABEOPTOMMDD-HUUCEWRRSA-N 1 0 337.395 2.610 20 5 EFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000562990306 478406386 /nfs/dbraw/zinc/40/63/86/478406386.db2.gz BOJTZLICXJPUCE-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489590 478408213 /nfs/dbraw/zinc/40/82/13/478408213.db2.gz DWQSQTGWMJHCOG-INIZCTEOSA-N 1 0 331.416 2.964 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498782 478411550 /nfs/dbraw/zinc/41/15/50/478411550.db2.gz LIHNPIPELGLGGL-PBHICJAKSA-N 1 0 333.432 2.807 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000581653539 478412424 /nfs/dbraw/zinc/41/24/24/478412424.db2.gz CWDBCMAFLLEYCC-CQSZACIVSA-N 1 0 349.431 2.842 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000594514459 478421295 /nfs/dbraw/zinc/42/12/95/478421295.db2.gz YFKWYUXQHXDJGZ-IUODEOHRSA-N 1 0 345.403 2.675 20 5 EFBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000590971751 478422910 /nfs/dbraw/zinc/42/29/10/478422910.db2.gz KRNIDXOGSGFHJL-ZDUSSCGKSA-N 1 0 345.424 2.939 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594516524 478423071 /nfs/dbraw/zinc/42/30/71/478423071.db2.gz XCHMZRHLEXHQKZ-BMFZPTHFSA-N 1 0 329.404 2.891 20 5 EFBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000590971656 478423228 /nfs/dbraw/zinc/42/32/28/478423228.db2.gz CXQLCBZKAXISGE-GFCCVEGCSA-N 1 0 345.424 2.939 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570698226 478426839 /nfs/dbraw/zinc/42/68/39/478426839.db2.gz JXOXACFSBOVBGK-ZDUSSCGKSA-N 1 0 330.310 2.589 20 5 EFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C1CCCCC1 ZINC000600591886 478431633 /nfs/dbraw/zinc/43/16/33/478431633.db2.gz PPZUEQJBCIOVDR-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000594546495 478431804 /nfs/dbraw/zinc/43/18/04/478431804.db2.gz LRHFFCFQCJBBRL-CQSZACIVSA-N 1 0 334.420 2.842 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000594546493 478431872 /nfs/dbraw/zinc/43/18/72/478431872.db2.gz LRHFFCFQCJBBRL-AWEZNQCLSA-N 1 0 334.420 2.842 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594554163 478434839 /nfs/dbraw/zinc/43/48/39/478434839.db2.gz OPIXAJONSAGRPU-XKQJLSEDSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594554157 478434969 /nfs/dbraw/zinc/43/49/69/478434969.db2.gz OFIGWQQKDJUMSN-XKQJLSEDSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000570750927 478435680 /nfs/dbraw/zinc/43/56/80/478435680.db2.gz XXFVGBOVVNOQKV-RDTXWAMCSA-N 1 0 331.416 2.643 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591039800 478441194 /nfs/dbraw/zinc/44/11/94/478441194.db2.gz BCWUDLCDKXWXPQ-BHYGNILZSA-N 1 0 331.416 2.687 20 5 EFBDRO O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591062989 478446056 /nfs/dbraw/zinc/44/60/56/478446056.db2.gz DYRUNTZBLPWVIJ-HNNXBMFYSA-N 1 0 329.400 2.606 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591062984 478446786 /nfs/dbraw/zinc/44/67/86/478446786.db2.gz DSZANTDWTBOAMK-WMLDXEAASA-N 1 0 329.400 2.822 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591062070 478447036 /nfs/dbraw/zinc/44/70/36/478447036.db2.gz ULKGLJOJYKFEID-OAHLLOKOSA-N 1 0 329.400 2.606 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061815 478447057 /nfs/dbraw/zinc/44/70/57/478447057.db2.gz JTPRSIQEQSGQJV-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591063140 478447157 /nfs/dbraw/zinc/44/71/57/478447157.db2.gz ZKLWSSPCXURSON-HYVNUMGLSA-N 1 0 331.416 2.689 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000594592334 478452069 /nfs/dbraw/zinc/45/20/69/478452069.db2.gz VGOSCRZYSCPFIO-UHFFFAOYSA-N 1 0 335.433 2.910 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597696079 478468484 /nfs/dbraw/zinc/46/84/84/478468484.db2.gz BGCMLJNJYDPFHZ-IAQYHMDHSA-N 1 0 337.395 2.563 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597701967 478470346 /nfs/dbraw/zinc/47/03/46/478470346.db2.gz YKEWQACBXCKWKG-CABZTGNLSA-N 1 0 345.321 2.778 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597702205 478471132 /nfs/dbraw/zinc/47/11/32/478471132.db2.gz ZDKOSJYFVMKWFB-TZMCWYRMSA-N 1 0 335.404 2.547 20 5 EFBDRO Cn1c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000597703736 478472025 /nfs/dbraw/zinc/47/20/25/478472025.db2.gz INTNGEHUTUHKET-UHFFFAOYSA-N 1 0 348.447 2.660 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC000597716947 478476968 /nfs/dbraw/zinc/47/69/68/478476968.db2.gz UFNYIQPURNXPFB-SFHVURJKSA-N 1 0 342.399 2.634 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491290323 478499899 /nfs/dbraw/zinc/49/98/99/478499899.db2.gz CDCJERBUOSFKDL-YFHOEESVSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000600761572 478508489 /nfs/dbraw/zinc/50/84/89/478508489.db2.gz LWQQHCHVOKTRLL-WBAXXEDZSA-N 1 0 344.415 2.626 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000594716273 478510431 /nfs/dbraw/zinc/51/04/31/478510431.db2.gz NVWAROSLYYGUCV-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591297634 478512683 /nfs/dbraw/zinc/51/26/83/478512683.db2.gz PZHUYYKACHMJKL-SECBINFHSA-N 1 0 346.309 2.877 20 5 EFBDRO C[C@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[NH2+]1 ZINC000600772524 478513564 /nfs/dbraw/zinc/51/35/64/478513564.db2.gz DJZOAIQOOXWZGP-AAEUAGOBSA-N 1 0 332.429 2.948 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000591303888 478515548 /nfs/dbraw/zinc/51/55/48/478515548.db2.gz GDLKVGWEIGTISK-DGCLKSJQSA-N 1 0 336.392 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000591303887 478516300 /nfs/dbraw/zinc/51/63/00/478516300.db2.gz GDLKVGWEIGTISK-AAEUAGOBSA-N 1 0 336.392 2.585 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000591303890 478516424 /nfs/dbraw/zinc/51/64/24/478516424.db2.gz GDLKVGWEIGTISK-YPMHNXCESA-N 1 0 336.392 2.585 20 5 EFBDRO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600781472 478517240 /nfs/dbraw/zinc/51/72/40/478517240.db2.gz CKEXEDVFIQDBQV-KPZWWZAWSA-N 1 0 328.368 2.804 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491368524 478526692 /nfs/dbraw/zinc/52/66/92/478526692.db2.gz ROLNKOFVKADERC-SREVYHEPSA-N 1 0 331.416 2.846 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000541053124 478533039 /nfs/dbraw/zinc/53/30/39/478533039.db2.gz FCPLUSMPKDPJQG-INIZCTEOSA-N 1 0 346.383 2.614 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)C3CCCCC3)n2)cc1 ZINC000541052087 478533301 /nfs/dbraw/zinc/53/33/01/478533301.db2.gz XWGRQYPMYDXFQG-OAHLLOKOSA-N 1 0 346.387 2.676 20 5 EFBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CCC1 ZINC000600824865 478536309 /nfs/dbraw/zinc/53/63/09/478536309.db2.gz CJSVUIOXWNUZOJ-UHFFFAOYSA-N 1 0 337.445 2.967 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597853944 478540827 /nfs/dbraw/zinc/54/08/27/478540827.db2.gz FGMRZONBKPRTMG-AWEZNQCLSA-N 1 0 349.431 2.600 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491418823 478542868 /nfs/dbraw/zinc/54/28/68/478542868.db2.gz PKMZRAYNXKTWAG-FPLPWBNLSA-N 1 0 331.416 2.846 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC000597860260 478545857 /nfs/dbraw/zinc/54/58/57/478545857.db2.gz MSRQZKSSVITEBX-ZDUSSCGKSA-N 1 0 349.431 2.762 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491437742 478547728 /nfs/dbraw/zinc/54/77/28/478547728.db2.gz VKKRWSISEOOTLA-CGQZWFTASA-N 1 0 329.400 2.695 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491438017 478547849 /nfs/dbraw/zinc/54/78/49/478547849.db2.gz YLTDPLODLVNCPA-HYXAFXHYSA-N 1 0 335.379 2.595 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000541393080 478555090 /nfs/dbraw/zinc/55/50/90/478555090.db2.gz MFPYJNFESHFOCV-AWEZNQCLSA-N 1 0 331.416 2.852 20 5 EFBDRO COc1cccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000563502980 478572026 /nfs/dbraw/zinc/57/20/26/478572026.db2.gz VXDDDYSLRUMQOB-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597923736 478577516 /nfs/dbraw/zinc/57/75/16/478577516.db2.gz OVGDYAOSAXHJCZ-CWRNSKLLSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597923134 478577979 /nfs/dbraw/zinc/57/79/79/478577979.db2.gz LULSPTDOBYBZAZ-LBPRGKRZSA-N 1 0 339.823 2.780 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000597925790 478578904 /nfs/dbraw/zinc/57/89/04/478578904.db2.gz RFONRUUSSIUOFG-GFCCVEGCSA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000597924863 478580038 /nfs/dbraw/zinc/58/00/38/478580038.db2.gz TXOUFQGSQGARDR-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000571394412 478586585 /nfs/dbraw/zinc/58/65/85/478586585.db2.gz ROCRYZZABRBSIO-AWEZNQCLSA-N 1 0 344.367 2.576 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600965822 478588923 /nfs/dbraw/zinc/58/89/23/478588923.db2.gz BUYMDIPTOCVLDJ-ZDUSSCGKSA-N 1 0 326.784 2.710 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491561876 478589725 /nfs/dbraw/zinc/58/97/25/478589725.db2.gz LQSUISOSWMELIB-LYASGUKUSA-N 1 0 347.390 2.880 20 5 EFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594928442 478591126 /nfs/dbraw/zinc/59/11/26/478591126.db2.gz YYUYBSVBFIFCIZ-UHFFFAOYSA-N 1 0 344.293 2.516 20 5 EFBDRO COc1cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000594956585 478604357 /nfs/dbraw/zinc/60/43/57/478604357.db2.gz LPJHAHRINBLINZ-ZDUSSCGKSA-N 1 0 337.420 2.574 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997838 478604615 /nfs/dbraw/zinc/60/46/15/478604615.db2.gz DQLMKQRTQZVGOR-ZDUSSCGKSA-N 1 0 337.395 2.976 20 5 EFBDRO CC1(C)C[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591678401 478605023 /nfs/dbraw/zinc/60/50/23/478605023.db2.gz SVXSOAGPBYJWPV-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000591676222 478605169 /nfs/dbraw/zinc/60/51/69/478605169.db2.gz FVFYQLYKELOODI-ZANVPECISA-N 1 0 345.321 2.813 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000591677269 478605896 /nfs/dbraw/zinc/60/58/96/478605896.db2.gz DMKIDOQLGQLLKM-NSHDSACASA-N 1 0 343.836 2.599 20 5 EFBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000541890335 478607879 /nfs/dbraw/zinc/60/78/79/478607879.db2.gz RCZZXPIKCKCHRN-ZFWWWQNUSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@H](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[NH+](C)C ZINC000597991295 478610055 /nfs/dbraw/zinc/61/00/55/478610055.db2.gz CSIYUPHZDQOVKL-CYBMUJFWSA-N 1 0 342.399 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3Cc4ccccc4C3)CC2)cn1 ZINC000563655593 478611846 /nfs/dbraw/zinc/61/18/46/478611846.db2.gz IHXQIIKPLREOFN-UHFFFAOYSA-N 1 0 338.411 2.527 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491641589 478613070 /nfs/dbraw/zinc/61/30/70/478613070.db2.gz KZWOXBOXKUAALW-HJWRWDBZSA-N 1 0 331.416 2.989 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601010116 478613098 /nfs/dbraw/zinc/61/30/98/478613098.db2.gz JTYQDKKLBPLMHU-GFCCVEGCSA-N 1 0 337.395 2.974 20 5 EFBDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000591728949 478614415 /nfs/dbraw/zinc/61/44/15/478614415.db2.gz DWMHNLPJAYIPAJ-MRXNPFEDSA-N 1 0 346.383 2.523 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000582506367 478614528 /nfs/dbraw/zinc/61/45/28/478614528.db2.gz BOQKZGGCVWQSNB-HZPDHXFCSA-N 1 0 333.432 2.716 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000571516012 478614971 /nfs/dbraw/zinc/61/49/71/478614971.db2.gz GVHUGURDMKAXIP-GOEBONIOSA-N 1 0 346.358 2.751 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591734504 478616090 /nfs/dbraw/zinc/61/60/90/478616090.db2.gz HPFGAFUNRSYEFN-NVXWUHKLSA-N 1 0 345.399 2.861 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000591740790 478617068 /nfs/dbraw/zinc/61/70/68/478617068.db2.gz HTXLWMIIOLBGLC-CJNGLKHVSA-N 1 0 346.408 2.771 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744293 478618082 /nfs/dbraw/zinc/61/80/82/478618082.db2.gz PEKQPWDWWJYOGS-AYOQOUSVSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000591744321 478618835 /nfs/dbraw/zinc/61/88/35/478618835.db2.gz SFHOBCIEGYIJRE-PMPSAXMXSA-N 1 0 334.416 2.893 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000591767561 478624606 /nfs/dbraw/zinc/62/46/06/478624606.db2.gz RZKQWFLYAVGXNU-MRXNPFEDSA-N 1 0 334.416 2.893 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000591768316 478625218 /nfs/dbraw/zinc/62/52/18/478625218.db2.gz XHLBVSAJWHOZGN-STQMWFEESA-N 1 0 344.358 2.750 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000591771022 478626337 /nfs/dbraw/zinc/62/63/37/478626337.db2.gz KSRAJFSVGQOSLZ-PWSUYJOCSA-N 1 0 336.310 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000595014408 478629191 /nfs/dbraw/zinc/62/91/91/478629191.db2.gz PHJPLYKZMXLGFQ-GFCCVEGCSA-N 1 0 343.383 2.596 20 5 EFBDRO CCc1nn(C)c(NCC[N@@H+](CC)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000491682456 478630647 /nfs/dbraw/zinc/63/06/47/478630647.db2.gz YLSANTUXOLZASN-UHFFFAOYSA-N 1 0 337.346 2.577 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582580521 478632543 /nfs/dbraw/zinc/63/25/43/478632543.db2.gz LCGBUWULTMWGNJ-RBSFLKMASA-N 1 0 333.432 2.935 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595026823 478633371 /nfs/dbraw/zinc/63/33/71/478633371.db2.gz MMWBQNNAZQOOLU-VXGBXAGGSA-N 1 0 335.404 2.653 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000595028553 478635204 /nfs/dbraw/zinc/63/52/04/478635204.db2.gz UTEKANYDXYMMRR-GDZNZVCISA-N 1 0 336.388 2.592 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000595035193 478637486 /nfs/dbraw/zinc/63/74/86/478637486.db2.gz HPGCHYAXBIGFSO-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044435 478638855 /nfs/dbraw/zinc/63/88/55/478638855.db2.gz MSMUGMPMAHQNMO-OLZOCXBDSA-N 1 0 335.404 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000595046708 478639911 /nfs/dbraw/zinc/63/99/11/478639911.db2.gz CUWPEYXJCRAPHM-OCCSQVGLSA-N 1 0 335.404 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000595044924 478639970 /nfs/dbraw/zinc/63/99/70/478639970.db2.gz PELICKQBNXIACM-AVGNSLFASA-N 1 0 335.404 2.546 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000563836686 478643021 /nfs/dbraw/zinc/64/30/21/478643021.db2.gz UVFUJQNGMSYBKC-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO CCn1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000595068320 478648773 /nfs/dbraw/zinc/64/87/73/478648773.db2.gz JRFJKWZJKNGGPU-BBRMVZONSA-N 1 0 329.404 2.707 20 5 EFBDRO COCCc1ncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000601102834 478657248 /nfs/dbraw/zinc/65/72/48/478657248.db2.gz GQISDCMZAONVCA-UHFFFAOYSA-N 1 0 337.401 2.539 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000582687081 478659936 /nfs/dbraw/zinc/65/99/36/478659936.db2.gz PUCNNCCGQMJSTI-DZGCQCFKSA-N 1 0 333.436 2.573 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000582687082 478660223 /nfs/dbraw/zinc/66/02/23/478660223.db2.gz PUCNNCCGQMJSTI-HIFRSBDPSA-N 1 0 333.436 2.573 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000563947457 478672024 /nfs/dbraw/zinc/67/20/24/478672024.db2.gz RDMCEZIXILGDBF-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CCC[C@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000601139692 478683284 /nfs/dbraw/zinc/68/32/84/478683284.db2.gz HJIOXRGQNSOFCS-OAHLLOKOSA-N 1 0 332.404 2.636 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000591899038 478684317 /nfs/dbraw/zinc/68/43/17/478684317.db2.gz IRTYMVWMNDKFLF-CABCVRRESA-N 1 0 347.415 2.739 20 5 EFBDRO Cc1nocc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000601142540 478684339 /nfs/dbraw/zinc/68/43/39/478684339.db2.gz UHGILELNFLGMGV-UHFFFAOYSA-N 1 0 327.344 2.582 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601144181 478684903 /nfs/dbraw/zinc/68/49/03/478684903.db2.gz FYTKTCOBJQMFOE-MASHWEEQSA-N 1 0 341.293 2.593 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC000595223287 478692755 /nfs/dbraw/zinc/69/27/55/478692755.db2.gz YDJUKJFGPLRISS-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601154005 478692937 /nfs/dbraw/zinc/69/29/37/478692937.db2.gz WMVDPZFJVCIVQY-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2c1CC[NH2+]C2 ZINC000582840484 478699089 /nfs/dbraw/zinc/69/90/89/478699089.db2.gz SKFYAEBULVUCIS-UHFFFAOYSA-N 1 0 341.367 2.648 20 5 EFBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582840404 478699711 /nfs/dbraw/zinc/69/97/11/478699711.db2.gz VZOHXJCNQVWAIO-HNAYVOBHSA-N 1 0 342.395 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220495 478711679 /nfs/dbraw/zinc/71/16/79/478711679.db2.gz QAOQOQANAVHFDX-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO Cc1noc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595287154 478713386 /nfs/dbraw/zinc/71/33/86/478713386.db2.gz LSQKPTVZWWOYHZ-UHFFFAOYSA-N 1 0 330.388 2.599 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595288952 478715644 /nfs/dbraw/zinc/71/56/44/478715644.db2.gz BZPUNJZKBKCXJZ-IRXDYDNUSA-N 1 0 346.475 2.695 20 5 EFBDRO Cc1noc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595300436 478720647 /nfs/dbraw/zinc/72/06/47/478720647.db2.gz RGCGDSOTWKEATI-UHFFFAOYSA-N 1 0 344.415 2.988 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000564320041 478722805 /nfs/dbraw/zinc/72/28/05/478722805.db2.gz UTKHIOAASGTEPX-XHSDSOJGSA-N 1 0 334.416 2.893 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000601207642 478724082 /nfs/dbraw/zinc/72/40/82/478724082.db2.gz QBVMLDMWIJTJEV-CYBMUJFWSA-N 1 0 335.379 2.824 20 5 EFBDRO CC1(C)C[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000571994081 478724321 /nfs/dbraw/zinc/72/43/21/478724321.db2.gz RHBVFTABRLICMD-ZDUSSCGKSA-N 1 0 335.404 2.718 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000601209616 478725369 /nfs/dbraw/zinc/72/53/69/478725369.db2.gz GPHISXAFVIPUSE-HIFRSBDPSA-N 1 0 329.404 2.508 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000601211049 478725448 /nfs/dbraw/zinc/72/54/48/478725448.db2.gz VRHJJUQSCDPTTC-UKRRQHHQSA-N 1 0 342.399 2.875 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891368 478726537 /nfs/dbraw/zinc/72/65/37/478726537.db2.gz COQZSSOASMCITE-YSSGOKQJSA-N 1 0 329.400 2.693 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000491909168 478733245 /nfs/dbraw/zinc/73/32/45/478733245.db2.gz BDEPNYKGVSGLDX-PTRZUZADSA-N 1 0 331.416 2.939 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601224885 478733854 /nfs/dbraw/zinc/73/38/54/478733854.db2.gz CIZSYTJUOJUHAG-NOZJJQNGSA-N 1 0 326.784 2.805 20 5 EFBDRO Cc1noc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595333570 478734165 /nfs/dbraw/zinc/73/41/65/478734165.db2.gz KMBQKFLPLDMTSQ-AWEZNQCLSA-N 1 0 344.415 2.988 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000491911658 478734828 /nfs/dbraw/zinc/73/48/28/478734828.db2.gz HIXRJFXJCDHROG-RIEFBQKVSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595334885 478737331 /nfs/dbraw/zinc/73/73/31/478737331.db2.gz BFYXSFMDOBEQSJ-INIZCTEOSA-N 1 0 339.411 2.667 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491925950 478739679 /nfs/dbraw/zinc/73/96/79/478739679.db2.gz ONRIFKOOUDPEHZ-XITLMJRVSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491936928 478745640 /nfs/dbraw/zinc/74/56/40/478745640.db2.gz HVDSNPAEDAOWJG-LYASGUKUSA-N 1 0 335.379 2.690 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3c(F)cccc3F)C2)nc1 ZINC000592079650 478766987 /nfs/dbraw/zinc/76/69/87/478766987.db2.gz DWZHSINVCIFJKB-GFCCVEGCSA-N 1 0 348.353 2.997 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295646 478771625 /nfs/dbraw/zinc/77/16/25/478771625.db2.gz ZEKHCRXWXWHIPC-BXKDBHETSA-N 1 0 329.282 2.641 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601295536 478772094 /nfs/dbraw/zinc/77/20/94/478772094.db2.gz WZEYSVHHJHAVDC-MFKMUULPSA-N 1 0 343.309 2.949 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000598341390 478775228 /nfs/dbraw/zinc/77/52/28/478775228.db2.gz ALYQHNSTNCWKNJ-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306114 478776180 /nfs/dbraw/zinc/77/61/80/478776180.db2.gz APZKTPAHHFCSHR-GGZOMVNGSA-N 1 0 331.294 2.852 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000598343007 478776266 /nfs/dbraw/zinc/77/62/66/478776266.db2.gz RGWOQEQRZJPXON-CQSZACIVSA-N 1 0 335.404 2.596 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000595433926 478779555 /nfs/dbraw/zinc/77/95/55/478779555.db2.gz WWYIIPNUAFYZHK-HZPDHXFCSA-N 1 0 339.436 2.746 20 5 EFBDRO C[N@H+](CCC(C)(C)C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592145368 478796664 /nfs/dbraw/zinc/79/66/64/478796664.db2.gz WISDWPBXKMKNOP-UHFFFAOYSA-N 1 0 337.376 2.630 20 5 EFBDRO CCOc1cc(N2CC[NH+]([C@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595464056 478799142 /nfs/dbraw/zinc/79/91/42/478799142.db2.gz FOBLBJWXYPOOKG-OAHLLOKOSA-N 1 0 349.431 2.683 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000592161157 478806127 /nfs/dbraw/zinc/80/61/27/478806127.db2.gz OIQDARHVKPQPCM-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO CC(C)[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544071647 478807451 /nfs/dbraw/zinc/80/74/51/478807451.db2.gz JWVFBJBDCRTRBP-INIZCTEOSA-N 1 0 345.399 2.640 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601372578 478807373 /nfs/dbraw/zinc/80/73/73/478807373.db2.gz CDDFGJZSQIUVGV-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO C[NH2+]CCCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000592165938 478809369 /nfs/dbraw/zinc/80/93/69/478809369.db2.gz WFNXFJBYNVFRSB-UHFFFAOYSA-N 1 0 340.177 2.894 20 5 EFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCC1C[NH2+]C1 ZINC000592165943 478809886 /nfs/dbraw/zinc/80/98/86/478809886.db2.gz WJCHWRVRFKXCQA-UHFFFAOYSA-N 1 0 338.161 2.504 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181488 478814954 /nfs/dbraw/zinc/81/49/54/478814954.db2.gz FNHPTRKTFSSLPR-UONOGXRCSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183598 478817453 /nfs/dbraw/zinc/81/74/53/478817453.db2.gz URXNCEMUCUPZKU-ZIAGYGMSSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595493552 478819128 /nfs/dbraw/zinc/81/91/28/478819128.db2.gz SHQGAQJULHJKNV-BZUAXINKSA-N 1 0 343.383 2.896 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592193404 478819735 /nfs/dbraw/zinc/81/97/35/478819735.db2.gz MLRWOYKRDLDQRL-CQSZACIVSA-N 1 0 347.415 2.957 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196704 478822188 /nfs/dbraw/zinc/82/21/88/478822188.db2.gz XDSZVSUDRSVJEZ-CQSZACIVSA-N 1 0 347.415 2.957 20 5 EFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592200126 478823096 /nfs/dbraw/zinc/82/30/96/478823096.db2.gz KPXKLSPRSGEUEA-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000492102489 478823983 /nfs/dbraw/zinc/82/39/83/478823983.db2.gz FFBPPKMEHVRWIP-ZDUSSCGKSA-N 1 0 342.399 2.587 20 5 EFBDRO COc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000595505643 478826457 /nfs/dbraw/zinc/82/64/57/478826457.db2.gz WUGPKCZEYDRFDM-QGZVFWFLSA-N 1 0 337.395 2.660 20 5 EFBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845899 478829396 /nfs/dbraw/zinc/82/93/96/478829396.db2.gz XRQQEXFUAQOCAT-IRXDYDNUSA-N 1 0 344.411 2.945 20 5 EFBDRO CC(C)C[NH2+]C1(CO)CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000595512810 478829755 /nfs/dbraw/zinc/82/97/55/478829755.db2.gz ZAUMIXBFKKOGIY-OAHLLOKOSA-N 1 0 335.448 2.728 20 5 EFBDRO Cc1ccsc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564850178 478831397 /nfs/dbraw/zinc/83/13/97/478831397.db2.gz UGHHLUJVEAWADH-ZDUSSCGKSA-N 1 0 336.413 2.537 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000503127545 478837148 /nfs/dbraw/zinc/83/71/48/478837148.db2.gz WEQZWZNKCQBVHB-UHFFFAOYSA-N 1 0 348.447 2.921 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000595535407 478839175 /nfs/dbraw/zinc/83/91/75/478839175.db2.gz OEPBGSORGSYHQA-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592244341 478839200 /nfs/dbraw/zinc/83/92/00/478839200.db2.gz AZGXORUHPSAPDE-IUODEOHRSA-N 1 0 337.445 2.532 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255212 478842301 /nfs/dbraw/zinc/84/23/01/478842301.db2.gz OSHVCQOQPDZIDN-STQMWFEESA-N 1 0 335.379 2.586 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255180 478842386 /nfs/dbraw/zinc/84/23/86/478842386.db2.gz OFVMQYUBFBPIGJ-DLBZAZTESA-N 1 0 345.443 2.766 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592255831 478843062 /nfs/dbraw/zinc/84/30/62/478843062.db2.gz UDRJEIYNYRIGFZ-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592295375 478855603 /nfs/dbraw/zinc/85/56/03/478855603.db2.gz CKZWGVTYOAVGER-UHFFFAOYSA-N 1 0 337.445 2.969 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592331771 478860583 /nfs/dbraw/zinc/86/05/83/478860583.db2.gz PIXBBPUXDVUQJV-SMDDNHRTSA-N 1 0 337.445 2.906 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(Br)c1 ZINC000592356690 478866917 /nfs/dbraw/zinc/86/69/17/478866917.db2.gz FKGUFSOUHHRJNJ-JTQLQIEISA-N 1 0 339.149 2.832 20 5 EFBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000592374884 478872366 /nfs/dbraw/zinc/87/23/66/478872366.db2.gz OCGFPZZQMSQRCL-UKRRQHHQSA-N 1 0 334.397 2.827 20 5 EFBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595600537 478879185 /nfs/dbraw/zinc/87/91/85/478879185.db2.gz HIGUKSHTMRZTIM-DLBZAZTESA-N 1 0 344.415 2.606 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CO)cc2)n1 ZINC000592392862 478881380 /nfs/dbraw/zinc/88/13/80/478881380.db2.gz AWNREMNQFXIUNP-HOTGVXAUSA-N 1 0 330.388 2.557 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428810 478891644 /nfs/dbraw/zinc/89/16/44/478891644.db2.gz VOUZLIILTHAXHK-MLGOLLRUSA-N 1 0 347.440 2.871 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CC[NH2+][C@H]4C3)cs2)c1 ZINC000592432860 478893191 /nfs/dbraw/zinc/89/31/91/478893191.db2.gz ZCIRQLWIQVOEPB-WBMJQRKESA-N 1 0 344.440 2.902 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598559339 478893304 /nfs/dbraw/zinc/89/33/04/478893304.db2.gz XSEVGGJDAQESRS-HOCLYGCPSA-N 1 0 345.443 2.937 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598561323 478894940 /nfs/dbraw/zinc/89/49/40/478894940.db2.gz PSKKCTJEINILFB-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598569217 478900732 /nfs/dbraw/zinc/90/07/32/478900732.db2.gz BTFLRUJTTPZQNU-DOTOQJQBSA-N 1 0 333.432 2.620 20 5 EFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000601620782 478911102 /nfs/dbraw/zinc/91/11/02/478911102.db2.gz LBXZIPHBKJYPAA-UHFFFAOYSA-N 1 0 335.385 2.979 20 5 EFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507263516 478912003 /nfs/dbraw/zinc/91/20/03/478912003.db2.gz BMIOUJVRVRVCNZ-ZDMBXUJBSA-N 1 0 343.836 2.916 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492315160 478925860 /nfs/dbraw/zinc/92/58/60/478925860.db2.gz AENHOUKUKOTDGM-PIZKADEWSA-N 1 0 331.416 2.797 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)OCCO2 ZINC000592516971 478926258 /nfs/dbraw/zinc/92/62/58/478926258.db2.gz LYARJYOUMJQMQL-UKRRQHHQSA-N 1 0 348.399 2.757 20 5 EFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670619 478926691 /nfs/dbraw/zinc/92/66/91/478926691.db2.gz GIEXPCTWFXHECS-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492320399 478927845 /nfs/dbraw/zinc/92/78/45/478927845.db2.gz OUBGDKALKLLBRD-WBTMPAOCSA-N 1 0 331.416 2.797 20 5 EFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCC1 ZINC000598633087 478934069 /nfs/dbraw/zinc/93/40/69/478934069.db2.gz KLEFUQKCQIMZNF-UHFFFAOYSA-N 1 0 330.363 2.772 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000592543867 478940461 /nfs/dbraw/zinc/94/04/61/478940461.db2.gz RUULLVFBKHCTLP-NSHDSACASA-N 1 0 343.836 2.599 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCO ZINC000595697616 478941536 /nfs/dbraw/zinc/94/15/36/478941536.db2.gz MASYMYHATLDKEC-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000598646510 478942297 /nfs/dbraw/zinc/94/22/97/478942297.db2.gz FRLGDKISUWCQKA-CQSZACIVSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567312 478942713 /nfs/dbraw/zinc/94/27/13/478942713.db2.gz BJTFPQBTYMTCBT-HNNXBMFYSA-N 1 0 346.431 2.578 20 5 EFBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000545585412 478943782 /nfs/dbraw/zinc/94/37/82/478943782.db2.gz KNEZCMVANPLCAJ-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598649078 478944730 /nfs/dbraw/zinc/94/47/30/478944730.db2.gz VHBCOAWRWWRQNQ-PWSUYJOCSA-N 1 0 343.221 2.808 20 5 EFBDRO COc1cc(CN2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000598647924 478944073 /nfs/dbraw/zinc/94/40/73/478944073.db2.gz NIIULARAQUJRSW-LBPRGKRZSA-N 1 0 326.368 2.725 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000595702203 478946658 /nfs/dbraw/zinc/94/66/58/478946658.db2.gz SWBOUURCNRYSKA-RISCZKNCSA-N 1 0 326.368 2.725 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227076 478956714 /nfs/dbraw/zinc/95/67/14/478956714.db2.gz VAFUGCGZJJJMOX-OFQRWUPVSA-N 1 0 348.447 2.944 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000601702741 478961215 /nfs/dbraw/zinc/96/12/15/478961215.db2.gz CTHVJNDMQWADQO-DZGCQCFKSA-N 1 0 343.383 2.686 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000598678507 478967385 /nfs/dbraw/zinc/96/73/85/478967385.db2.gz QXYGVFNBNSTUMR-UAGQMJEPSA-N 1 0 331.416 2.516 20 5 EFBDRO CCOc1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583929472 478972896 /nfs/dbraw/zinc/97/28/96/478972896.db2.gz LRGIGYFYHDPBIP-INIZCTEOSA-N 1 0 346.383 2.523 20 5 EFBDRO Cc1noc(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595750056 478973998 /nfs/dbraw/zinc/97/39/98/478973998.db2.gz RFLIDZXFCYXQJC-INIZCTEOSA-N 1 0 344.415 2.640 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1=CCCOC1 ZINC000595753010 478976232 /nfs/dbraw/zinc/97/62/32/478976232.db2.gz OESWRDHEXJEVIR-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000583979102 478984193 /nfs/dbraw/zinc/98/41/93/478984193.db2.gz MFYZDHYWZMKKMR-RDTXWAMCSA-N 1 0 346.431 2.783 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565373405 478992140 /nfs/dbraw/zinc/99/21/40/478992140.db2.gz VBCZCESZNTWYMC-HNSSHINMSA-N 1 0 345.443 2.795 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828123 479020150 /nfs/dbraw/zinc/02/01/50/479020150.db2.gz HZUQBVWUQHXEGJ-GJZGRUSLSA-N 1 0 331.416 2.909 20 5 EFBDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514669292 479045729 /nfs/dbraw/zinc/04/57/29/479045729.db2.gz ZHPHZIQDGMOEGS-LSDHHAIUSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000584194853 479047485 /nfs/dbraw/zinc/04/74/85/479047485.db2.gz BWRVAZBVFQMCFC-CQSZACIVSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)cc1 ZINC000601878537 479053671 /nfs/dbraw/zinc/05/36/71/479053671.db2.gz CCVVUVKBUFFFFH-OAHLLOKOSA-N 1 0 345.424 2.969 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000601882420 479056249 /nfs/dbraw/zinc/05/62/49/479056249.db2.gz YIUVQGOYMDGHPS-AWEZNQCLSA-N 1 0 329.356 2.501 20 5 EFBDRO CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@H+](C)C1 ZINC000592832707 479064529 /nfs/dbraw/zinc/06/45/29/479064529.db2.gz VLBVEZSVMLGFNW-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584241702 479066401 /nfs/dbraw/zinc/06/64/01/479066401.db2.gz SAAQCAIUWLHXDC-XYJFISCASA-N 1 0 345.443 2.859 20 5 EFBDRO CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592833221 479066432 /nfs/dbraw/zinc/06/64/32/479066432.db2.gz WTEDXGWNCJUQTP-QGZVFWFLSA-N 1 0 348.447 2.730 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930877 479079354 /nfs/dbraw/zinc/07/93/54/479079354.db2.gz AOGDTLKRSCLXSX-QMTHXVAHSA-N 1 0 346.412 2.816 20 5 EFBDRO CC(C)(NC(=O)c1cccc2c1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000595958135 479081260 /nfs/dbraw/zinc/08/12/60/479081260.db2.gz JMMLQLNHPMAVAB-UHFFFAOYSA-N 1 0 325.368 2.863 20 5 EFBDRO [NH3+]C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000595967561 479083172 /nfs/dbraw/zinc/08/31/72/479083172.db2.gz VKZNAFVMLWITRN-UHFFFAOYSA-N 1 0 343.836 2.728 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000598913591 479083394 /nfs/dbraw/zinc/08/33/94/479083394.db2.gz NFNLCGUJKQPJOT-JTQLQIEISA-N 1 0 345.334 2.589 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000598914345 479083808 /nfs/dbraw/zinc/08/38/08/479083808.db2.gz AVAQVAMUJBUMDA-HUUCEWRRSA-N 1 0 336.367 2.872 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000598913987 479083847 /nfs/dbraw/zinc/08/38/47/479083847.db2.gz UCILUAYYECWTTQ-SUZMYJTESA-N 1 0 338.795 2.839 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000598913866 479083917 /nfs/dbraw/zinc/08/39/17/479083917.db2.gz QHFBBIOQIFOBFI-HBNTYKKESA-N 1 0 338.795 2.758 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000598915411 479084697 /nfs/dbraw/zinc/08/46/97/479084697.db2.gz LOVWDIJFTKRDBR-LBPRGKRZSA-N 1 0 336.367 2.587 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000566083743 479084875 /nfs/dbraw/zinc/08/48/75/479084875.db2.gz QDBNYECHFPVUSS-HNNXBMFYSA-N 1 0 349.434 2.848 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916258 479085168 /nfs/dbraw/zinc/08/51/68/479085168.db2.gz UYNSVPMJABVXQR-ZANVPECISA-N 1 0 326.784 2.982 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000598915410 479085208 /nfs/dbraw/zinc/08/52/08/479085208.db2.gz LOVWDIJFTKRDBR-GFCCVEGCSA-N 1 0 336.367 2.587 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)cs2)c1 ZINC000601978184 479106266 /nfs/dbraw/zinc/10/62/66/479106266.db2.gz YFINJRXJWGUSFS-BETUJISGSA-N 1 0 331.397 2.797 20 5 EFBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000598967210 479106825 /nfs/dbraw/zinc/10/68/25/479106825.db2.gz FYHMYDXPYFUYPH-UHFFFAOYSA-N 1 0 344.293 2.609 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493671822 479108232 /nfs/dbraw/zinc/10/82/32/479108232.db2.gz COWHIXGLVNLLHB-ZKKXHLJNSA-N 1 0 335.379 2.688 20 5 EFBDRO CN(C(=O)CC[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596061400 479113438 /nfs/dbraw/zinc/11/34/38/479113438.db2.gz QCYQPMKYBOGECS-UHFFFAOYSA-N 1 0 327.384 2.780 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000598983148 479113760 /nfs/dbraw/zinc/11/37/60/479113760.db2.gz CBODDMVNTHBQHH-MRXNPFEDSA-N 1 0 348.399 2.959 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598989017 479116049 /nfs/dbraw/zinc/11/60/49/479116049.db2.gz XZOFQNAUICYLGO-BOTMBNHJSA-N 1 0 325.359 2.927 20 5 EFBDRO CC(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596070569 479120728 /nfs/dbraw/zinc/12/07/28/479120728.db2.gz RUSRQCDTTMQNRY-MRXNPFEDSA-N 1 0 345.403 2.776 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599001013 479121629 /nfs/dbraw/zinc/12/16/29/479121629.db2.gz RABDSKCEWIHAPM-HUUCEWRRSA-N 1 0 348.447 2.995 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599001011 479122160 /nfs/dbraw/zinc/12/21/60/479122160.db2.gz RABDSKCEWIHAPM-CABCVRRESA-N 1 0 348.447 2.995 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596075076 479123413 /nfs/dbraw/zinc/12/34/13/479123413.db2.gz YMKZMCAIEIEVQI-UHFFFAOYSA-N 1 0 328.363 2.582 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596075777 479123541 /nfs/dbraw/zinc/12/35/41/479123541.db2.gz LHYRYGXLWHKGKX-CYBMUJFWSA-N 1 0 334.420 2.618 20 5 EFBDRO O=c1[nH]ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596079409 479126396 /nfs/dbraw/zinc/12/63/96/479126396.db2.gz QJWPLYIJPYHVNP-AWEZNQCLSA-N 1 0 328.372 2.772 20 5 EFBDRO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)([NH+](C)C)C1 ZINC000596087015 479130670 /nfs/dbraw/zinc/13/06/70/479130670.db2.gz HENCZXINENWTIF-SJCJKPOMSA-N 1 0 334.420 2.616 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493720649 479130646 /nfs/dbraw/zinc/13/06/46/479130646.db2.gz IPVLBEMJTOOQGT-IYNGYCSASA-N 1 0 335.379 2.595 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1 ZINC000599024064 479130971 /nfs/dbraw/zinc/13/09/71/479130971.db2.gz YJVHFBNCIUBLER-GOSISDBHSA-N 1 0 330.384 2.652 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000593027963 479132546 /nfs/dbraw/zinc/13/25/46/479132546.db2.gz HKNQPTMBXOHRAC-QWHCGFSZSA-N 1 0 337.395 2.656 20 5 EFBDRO CC1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000596092662 479133761 /nfs/dbraw/zinc/13/37/61/479133761.db2.gz CIVOQEVDIMKVDC-DGNOSDGRSA-N 1 0 336.436 2.806 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032217 479135038 /nfs/dbraw/zinc/13/50/38/479135038.db2.gz MIUVIZMYWDNILS-HNNXBMFYSA-N 1 0 347.459 2.791 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596097195 479136377 /nfs/dbraw/zinc/13/63/77/479136377.db2.gz FYORIGYCHUDFRZ-CQSZACIVSA-N 1 0 334.420 2.644 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC(C)CC1 ZINC000596097542 479136509 /nfs/dbraw/zinc/13/65/09/479136509.db2.gz YVZPUGLBMGZWQF-TXKKKEFDSA-N 1 0 349.431 2.843 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC(C)CC1 ZINC000596097541 479136734 /nfs/dbraw/zinc/13/67/34/479136734.db2.gz YVZPUGLBMGZWQF-FVRSWCFKSA-N 1 0 349.431 2.843 20 5 EFBDRO COC(=O)c1cc(N[C@@H](C)C2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000599044633 479136918 /nfs/dbraw/zinc/13/69/18/479136918.db2.gz RGNUOCQSLAIXPI-LBPRGKRZSA-N 1 0 335.404 2.832 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000602019044 479142162 /nfs/dbraw/zinc/14/21/62/479142162.db2.gz DWSJPOPRFOGHEG-BETUJISGSA-N 1 0 343.383 2.800 20 5 EFBDRO O=c1[nH]ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596106387 479142422 /nfs/dbraw/zinc/14/24/22/479142422.db2.gz AFBBVDDIBHILEL-OAHLLOKOSA-N 1 0 342.399 2.672 20 5 EFBDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000593054883 479146216 /nfs/dbraw/zinc/14/62/16/479146216.db2.gz HLGDEVDWWIVQBS-MRXNPFEDSA-N 1 0 335.404 2.813 20 5 EFBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068712 479147884 /nfs/dbraw/zinc/14/78/84/479147884.db2.gz ONWVBFILEPZBFV-HIFRSBDPSA-N 1 0 337.420 2.699 20 5 EFBDRO COc1cc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])cc1C ZINC000596116126 479148959 /nfs/dbraw/zinc/14/89/59/479148959.db2.gz YNRHWLAURPRAKC-UHFFFAOYSA-N 1 0 349.431 2.969 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059362 479150119 /nfs/dbraw/zinc/15/01/19/479150119.db2.gz PLSVZEPRJLDCHU-UONOGXRCSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ncccc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599074490 479151204 /nfs/dbraw/zinc/15/12/04/479151204.db2.gz SSMYNDOJMWZAPQ-GFCCVEGCSA-N 1 0 328.372 2.805 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000599073541 479151431 /nfs/dbraw/zinc/15/14/31/479151431.db2.gz JDUGIWJRZGQLQR-CXMBCZLWSA-N 1 0 329.356 2.876 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)CO1 ZINC000593063272 479153567 /nfs/dbraw/zinc/15/35/67/479153567.db2.gz SYMNKPKNOPYHDT-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO O=C(c1ccccc1)c1ccc(N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599083197 479154238 /nfs/dbraw/zinc/15/42/38/479154238.db2.gz KJSJNCTUSQEVBO-INIZCTEOSA-N 1 0 337.379 2.720 20 5 EFBDRO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596130215 479154815 /nfs/dbraw/zinc/15/48/15/479154815.db2.gz NSYYENRBBSCZSA-UHFFFAOYSA-N 1 0 325.434 2.513 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596132858 479156234 /nfs/dbraw/zinc/15/62/34/479156234.db2.gz RUPQKNAOARAOOC-ZDUSSCGKSA-N 1 0 341.415 2.631 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000596146071 479163107 /nfs/dbraw/zinc/16/31/07/479163107.db2.gz KWYKLXKQXUUEFL-NHYWBVRUSA-N 1 0 347.444 2.550 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593082325 479163559 /nfs/dbraw/zinc/16/35/59/479163559.db2.gz HBJKSBOQETWXBQ-AWEZNQCLSA-N 1 0 349.431 2.572 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593085720 479164781 /nfs/dbraw/zinc/16/47/81/479164781.db2.gz VYGBMHWUTBEJTG-AWEZNQCLSA-N 1 0 349.431 2.572 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H](C)[NH2+]1 ZINC000599110310 479164975 /nfs/dbraw/zinc/16/49/75/479164975.db2.gz PTTDGRMZNKJRPB-OKILXGFUSA-N 1 0 342.399 2.755 20 5 EFBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC000593088588 479165257 /nfs/dbraw/zinc/16/52/57/479165257.db2.gz IBLZEVNMVQXINS-FQEVSTJZSA-N 1 0 339.439 2.996 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584540234 479173256 /nfs/dbraw/zinc/17/32/56/479173256.db2.gz RIQQNFABPXTUPA-VMGRFDJRSA-N 1 0 342.399 2.826 20 5 EFBDRO Cc1cccc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000584587868 479188646 /nfs/dbraw/zinc/18/86/46/479188646.db2.gz HHQMCYDGOBJWRW-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CS[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596195861 479191581 /nfs/dbraw/zinc/19/15/81/479191581.db2.gz PEERCRARTFJUKQ-CHWSQXEVSA-N 1 0 327.475 2.981 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000596216735 479205026 /nfs/dbraw/zinc/20/50/26/479205026.db2.gz LKKNWEYFCFSWER-SJKOYZFVSA-N 1 0 342.399 2.797 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217293 479206159 /nfs/dbraw/zinc/20/61/59/479206159.db2.gz BWHDDYYDBGLTOV-IUODEOHRSA-N 1 0 328.372 2.628 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOC(C)(C)C ZINC000610859786 479212831 /nfs/dbraw/zinc/21/28/31/479212831.db2.gz MGWIRIREQWUAAJ-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593187909 479229185 /nfs/dbraw/zinc/22/91/85/479229185.db2.gz RPZWVQIDKKLOFI-AGIUHOORSA-N 1 0 334.420 2.580 20 5 EFBDRO CCc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000574192427 479238523 /nfs/dbraw/zinc/23/85/23/479238523.db2.gz YSFURTBAVQMGGR-SFHVURJKSA-N 1 0 344.411 2.729 20 5 EFBDRO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cn1C)C1CCCCC1 ZINC000593253475 479262163 /nfs/dbraw/zinc/26/21/63/479262163.db2.gz UUVHNJTTXNZRQL-UHFFFAOYSA-N 1 0 336.436 2.708 20 5 EFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000585090417 479278414 /nfs/dbraw/zinc/27/84/14/479278414.db2.gz LUZLHCKTXNGPAX-QLFBSQMISA-N 1 0 341.415 2.873 20 5 EFBDRO CC[N@@H+]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000611092233 479281758 /nfs/dbraw/zinc/28/17/58/479281758.db2.gz MDKVQBIJHKJHDQ-QWHCGFSZSA-N 1 0 345.403 2.732 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)CC3CC3)cs2)c1 ZINC000611108220 479284186 /nfs/dbraw/zinc/28/41/86/479284186.db2.gz IGVARMQKCNNFDI-CYBMUJFWSA-N 1 0 333.413 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000611177953 479301873 /nfs/dbraw/zinc/30/18/73/479301873.db2.gz HGYJCGXYMRHBAS-GOSISDBHSA-N 1 0 342.395 2.509 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)cc1 ZINC000611185028 479306148 /nfs/dbraw/zinc/30/61/48/479306148.db2.gz LMONZXUXQXOQFV-UHFFFAOYSA-N 1 0 345.399 2.677 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCOCC2)CC1 ZINC000599473162 479307860 /nfs/dbraw/zinc/30/78/60/479307860.db2.gz YTOVNAXJDIMQOT-HNNXBMFYSA-N 1 0 333.432 2.761 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603220370 479309257 /nfs/dbraw/zinc/30/92/57/479309257.db2.gz UERGNNLHTVUSQG-CQSZACIVSA-N 1 0 329.404 2.824 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596487588 479314691 /nfs/dbraw/zinc/31/46/91/479314691.db2.gz IICKTNWVBWMCQC-GFCCVEGCSA-N 1 0 345.403 2.776 20 5 EFBDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000599511847 479317876 /nfs/dbraw/zinc/31/78/76/479317876.db2.gz BYXNIOVYEBYQFN-BZPMIXESSA-N 1 0 344.358 2.558 20 5 EFBDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599514186 479318737 /nfs/dbraw/zinc/31/87/37/479318737.db2.gz DZXICRSCZBEJQM-UPJWGTAASA-N 1 0 344.358 2.558 20 5 EFBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596501456 479319067 /nfs/dbraw/zinc/31/90/67/479319067.db2.gz FKMWVNQPYVBADV-KRWDZBQOSA-N 1 0 340.383 2.991 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000599527730 479322771 /nfs/dbraw/zinc/32/27/71/479322771.db2.gz SQQSLWBOGPNOOH-QGZVFWFLSA-N 1 0 346.431 2.761 20 5 EFBDRO Cc1c(CNC(=O)N(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593396467 479324370 /nfs/dbraw/zinc/32/43/70/479324370.db2.gz ACXMNBKERBYLHC-UHFFFAOYSA-N 1 0 334.420 2.531 20 5 EFBDRO COCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000611257704 479326505 /nfs/dbraw/zinc/32/65/05/479326505.db2.gz YWXPRBPMIFTMRO-UHFFFAOYSA-N 1 0 336.388 2.757 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602436761 479331144 /nfs/dbraw/zinc/33/11/44/479331144.db2.gz ZTEYWPPGAMIQEV-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419318 479333422 /nfs/dbraw/zinc/33/34/22/479333422.db2.gz FKLZBYLQFUZMGS-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)OCCO2 ZINC000611274860 479333912 /nfs/dbraw/zinc/33/39/12/479333912.db2.gz YJAWPNGPOFKVCH-CQSZACIVSA-N 1 0 348.399 2.615 20 5 EFBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000611296756 479340294 /nfs/dbraw/zinc/34/02/94/479340294.db2.gz LLAYXKKSINFSCQ-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602458782 479344560 /nfs/dbraw/zinc/34/45/60/479344560.db2.gz OZZTZQGBVOLKFP-QGZVFWFLSA-N 1 0 349.431 2.728 20 5 EFBDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602458581 479344633 /nfs/dbraw/zinc/34/46/33/479344633.db2.gz OZZTZQGBVOLKFP-KRWDZBQOSA-N 1 0 349.431 2.728 20 5 EFBDRO Cc1nn(CC[N@@H+](C)Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000603326172 479346908 /nfs/dbraw/zinc/34/69/08/479346908.db2.gz MEAXNSUXGWQOON-UHFFFAOYSA-N 1 0 343.362 2.919 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000586766505 479348110 /nfs/dbraw/zinc/34/81/10/479348110.db2.gz XMRQHJPPNSCIOU-UHFFFAOYSA-N 1 0 334.326 2.590 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000586790674 479355599 /nfs/dbraw/zinc/35/55/99/479355599.db2.gz NCFBJXPRRBYQJJ-UKPHBRMFSA-N 1 0 344.415 2.558 20 5 EFBDRO CCOCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000599625484 479358863 /nfs/dbraw/zinc/35/88/63/479358863.db2.gz MCGTYVASJMHEMA-KRWDZBQOSA-N 1 0 344.415 2.817 20 5 EFBDRO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000574856286 479359980 /nfs/dbraw/zinc/35/99/80/479359980.db2.gz BOLBMWLWLIOEBE-INIZCTEOSA-N 1 0 331.416 2.904 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599641109 479364272 /nfs/dbraw/zinc/36/42/72/479364272.db2.gz OBYMPJZYNAUVOX-NVXWUHKLSA-N 1 0 332.404 2.510 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593489858 479364814 /nfs/dbraw/zinc/36/48/14/479364814.db2.gz YNPKXRDQKHRANZ-OAHLLOKOSA-N 1 0 337.395 2.609 20 5 EFBDRO CC[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1[NH3+] ZINC000602494066 479367869 /nfs/dbraw/zinc/36/78/69/479367869.db2.gz WZZZBMPKWSGQJD-XJKSGUPXSA-N 1 0 331.416 2.602 20 5 EFBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000593515272 479372444 /nfs/dbraw/zinc/37/24/44/479372444.db2.gz FCOOOIKXUHBTJI-UHFFFAOYSA-N 1 0 332.326 2.931 20 5 EFBDRO CC(C)C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000602511226 479374561 /nfs/dbraw/zinc/37/45/61/479374561.db2.gz NMRJDGXKFZUIJV-QGZVFWFLSA-N 1 0 349.479 2.525 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602511785 479376439 /nfs/dbraw/zinc/37/64/39/479376439.db2.gz RCTNGEDWVADCPM-HNNXBMFYSA-N 1 0 335.379 2.584 20 5 EFBDRO O=C(CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 ZINC000602514061 479376689 /nfs/dbraw/zinc/37/66/89/479376689.db2.gz KXFSWNIWLKRVAT-UHFFFAOYSA-N 1 0 345.321 2.762 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574951117 479377577 /nfs/dbraw/zinc/37/75/77/479377577.db2.gz YVXCVSZNKMJVRA-GJZGRUSLSA-N 1 0 333.432 2.889 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431691 479378452 /nfs/dbraw/zinc/37/84/52/479378452.db2.gz CLFYFDNMYITYKG-SJKOYZFVSA-N 1 0 347.371 2.948 20 5 EFBDRO COc1cccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1OC ZINC000602519758 479378931 /nfs/dbraw/zinc/37/89/31/479378931.db2.gz JJFBICOYYPIGOQ-UHFFFAOYSA-N 1 0 330.384 2.987 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000602519410 479379246 /nfs/dbraw/zinc/37/92/46/479379246.db2.gz DVOHOXAAHQJFDP-CYBMUJFWSA-N 1 0 331.338 2.611 20 5 EFBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000602523447 479380453 /nfs/dbraw/zinc/38/04/53/479380453.db2.gz CPMYNTLANDJSLT-CYBMUJFWSA-N 1 0 332.404 2.946 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000611442805 479381322 /nfs/dbraw/zinc/38/13/22/479381322.db2.gz DHVUHSLYUURYFJ-INIZCTEOSA-N 1 0 330.388 2.945 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602527063 479382751 /nfs/dbraw/zinc/38/27/51/479382751.db2.gz JIZCALGPAQAJCI-CYBMUJFWSA-N 1 0 333.413 2.880 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000574982029 479383402 /nfs/dbraw/zinc/38/34/02/479383402.db2.gz BVXBTQNVOWNYQW-INIZCTEOSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOC3CCCC3)CC2)cn1 ZINC000602532298 479384284 /nfs/dbraw/zinc/38/42/84/479384284.db2.gz LNISITAUDLPHMD-UHFFFAOYSA-N 1 0 348.447 2.898 20 5 EFBDRO COc1cc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000588053689 479388349 /nfs/dbraw/zinc/38/83/49/479388349.db2.gz ZIDXQARGXDVMBK-QGZVFWFLSA-N 1 0 341.411 2.967 20 5 EFBDRO COC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000599683261 479388855 /nfs/dbraw/zinc/38/88/55/479388855.db2.gz PTEIKXWCQRFFEO-RHSMWYFYSA-N 1 0 344.415 2.816 20 5 EFBDRO CC(=O)Nc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602540064 479388939 /nfs/dbraw/zinc/38/89/39/479388939.db2.gz VDBZHHDUXSIENU-UHFFFAOYSA-N 1 0 327.384 2.928 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)OCCO2 ZINC000611479703 479389602 /nfs/dbraw/zinc/38/96/02/479389602.db2.gz SVQOSIKHYFUNIO-HNNXBMFYSA-N 1 0 348.399 2.757 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602542098 479389837 /nfs/dbraw/zinc/38/98/37/479389837.db2.gz SXYBPZQEFCHVNH-YPMHNXCESA-N 1 0 345.321 2.503 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545184 479390683 /nfs/dbraw/zinc/39/06/83/479390683.db2.gz NSWQEHQGNIIDTL-CYBMUJFWSA-N 1 0 332.404 2.946 20 5 EFBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556734 479395609 /nfs/dbraw/zinc/39/56/09/479395609.db2.gz MHNRGPIRDKOJRN-PELKAZGASA-N 1 0 338.351 2.816 20 5 EFBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602556735 479395629 /nfs/dbraw/zinc/39/56/29/479395629.db2.gz MHNRGPIRDKOJRN-PRHODGIISA-N 1 0 338.351 2.816 20 5 EFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555134 479395895 /nfs/dbraw/zinc/39/58/95/479395895.db2.gz OSMULLTZLYMXIC-LLVKDONJSA-N 1 0 345.403 2.914 20 5 EFBDRO Cc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sc1C ZINC000602556990 479395973 /nfs/dbraw/zinc/39/59/73/479395973.db2.gz ICVZYAQKYIYMAV-UHFFFAOYSA-N 1 0 347.444 2.822 20 5 EFBDRO CCc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602559399 479396309 /nfs/dbraw/zinc/39/63/09/479396309.db2.gz IGWNRAYYZQUXFA-UHFFFAOYSA-N 1 0 347.444 2.767 20 5 EFBDRO C[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560941 479397916 /nfs/dbraw/zinc/39/79/16/479397916.db2.gz OHFGPPWQXOASKR-DTWKUNHWSA-N 1 0 348.266 2.991 20 5 EFBDRO C[C@H]1C[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000602560942 479398543 /nfs/dbraw/zinc/39/85/43/479398543.db2.gz OHFGPPWQXOASKR-IUCAKERBSA-N 1 0 348.266 2.991 20 5 EFBDRO C[C@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564196 479399389 /nfs/dbraw/zinc/39/93/89/479399389.db2.gz QHTVWOGQRMNXDD-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564195 479399795 /nfs/dbraw/zinc/39/97/95/479399795.db2.gz QHTVWOGQRMNXDD-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000602566494 479400795 /nfs/dbraw/zinc/40/07/95/479400795.db2.gz DOQOVDPNSFOQRI-GFCCVEGCSA-N 1 0 340.305 2.984 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602568972 479401017 /nfs/dbraw/zinc/40/10/17/479401017.db2.gz PZEVPYTVCFHEAH-INIZCTEOSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611515105 479401605 /nfs/dbraw/zinc/40/16/05/479401605.db2.gz XZDMVDDDFZZFAY-DOTOQJQBSA-N 1 0 333.432 2.761 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cn1 ZINC000602569802 479401971 /nfs/dbraw/zinc/40/19/71/479401971.db2.gz SJICJZIOYVXOIG-BBWFWOEESA-N 1 0 346.431 2.506 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCNc1cnccn1 ZINC000602569822 479402143 /nfs/dbraw/zinc/40/21/43/479402143.db2.gz SOPPFLRMVVBTCR-UHFFFAOYSA-N 1 0 341.293 2.605 20 5 EFBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569273 479402236 /nfs/dbraw/zinc/40/22/36/479402236.db2.gz OQKNLSLGCYRIDN-PVBMHHQDSA-N 1 0 338.351 2.860 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 ZINC000602581775 479408557 /nfs/dbraw/zinc/40/85/57/479408557.db2.gz RLMDBPBKJHAKCF-HZPDHXFCSA-N 1 0 334.420 2.506 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCCC1 ZINC000575136751 479410710 /nfs/dbraw/zinc/41/07/10/479410710.db2.gz JLYSRUGNNNEDSE-INIZCTEOSA-N 1 0 331.416 2.964 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000602586844 479410910 /nfs/dbraw/zinc/41/09/10/479410910.db2.gz DCJDOPRRZWSBBL-HNNXBMFYSA-N 1 0 327.384 2.593 20 5 EFBDRO C[C@@H]1CCN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602592315 479413124 /nfs/dbraw/zinc/41/31/24/479413124.db2.gz COJORFFERGSXQB-SECBINFHSA-N 1 0 348.266 2.850 20 5 EFBDRO O=[N+]([O-])c1sc(CNCCC[NH+]2CCCC2)cc1Br ZINC000602594494 479415139 /nfs/dbraw/zinc/41/51/39/479415139.db2.gz XUTDWJNSOBGBMA-UHFFFAOYSA-N 1 0 348.266 2.994 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000602598102 479417739 /nfs/dbraw/zinc/41/77/39/479417739.db2.gz BEVFNAMQOFWOJQ-UHFFFAOYSA-N 1 0 349.774 2.747 20 5 EFBDRO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602606347 479419796 /nfs/dbraw/zinc/41/97/96/479419796.db2.gz CVDQQSBUBKNRGP-CABCVRRESA-N 1 0 348.447 2.753 20 5 EFBDRO C[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602610169 479421231 /nfs/dbraw/zinc/42/12/31/479421231.db2.gz GZEKEQPPRWLKHJ-SNVBAGLBSA-N 1 0 332.326 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@]3(O)CCCOC3)o2)cc1 ZINC000593690988 479424344 /nfs/dbraw/zinc/42/43/44/479424344.db2.gz GQTCXONQAVULQH-GOSISDBHSA-N 1 0 346.383 2.876 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000602621674 479428967 /nfs/dbraw/zinc/42/89/67/479428967.db2.gz ISNOBYVEZQMJSZ-LBPRGKRZSA-N 1 0 340.305 2.915 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593708500 479431297 /nfs/dbraw/zinc/43/12/97/479431297.db2.gz ZOYWGIUEXZMIFE-XUWXXGDYSA-N 1 0 346.431 2.735 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000602624998 479431301 /nfs/dbraw/zinc/43/13/01/479431301.db2.gz WEBCKPALWHIXNY-CQSZACIVSA-N 1 0 325.368 2.996 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593718277 479432730 /nfs/dbraw/zinc/43/27/30/479432730.db2.gz DCGKFCFKBHCLIN-SUMWQHHRSA-N 1 0 331.416 2.820 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(CC)C2)cc1[N+](=O)[O-] ZINC000593723419 479435013 /nfs/dbraw/zinc/43/50/13/479435013.db2.gz NCYRVGVYMDBJLJ-QWHCGFSZSA-N 1 0 335.404 2.513 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000593722638 479435183 /nfs/dbraw/zinc/43/51/83/479435183.db2.gz JHUZISAKTTUJKC-ACJLOTCBSA-N 1 0 343.427 2.963 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593724435 479435561 /nfs/dbraw/zinc/43/55/61/479435561.db2.gz WIBRLUBOPSHDSQ-BLLLJJGKSA-N 1 0 331.416 2.775 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575401323 479437568 /nfs/dbraw/zinc/43/75/68/479437568.db2.gz SPGOXEICFWBXIP-JGVFFNPUSA-N 1 0 334.298 2.861 20 5 EFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1[N+](=O)[O-] ZINC000614533690 479438162 /nfs/dbraw/zinc/43/81/62/479438162.db2.gz DMYRTCYTOXGMIR-KRWDZBQOSA-N 1 0 347.440 2.730 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593730827 479438340 /nfs/dbraw/zinc/43/83/40/479438340.db2.gz HZJITJJLQNGRLA-YJBOKZPZSA-N 1 0 333.432 2.943 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)CC(F)F)cc1Br ZINC000602635475 479439044 /nfs/dbraw/zinc/43/90/44/479439044.db2.gz FONCZNVDXMEZFM-YFKPBYRVSA-N 1 0 345.165 2.525 20 5 EFBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602636538 479440095 /nfs/dbraw/zinc/44/00/95/479440095.db2.gz IIZIAFJBKBZPAS-UHFFFAOYSA-N 1 0 348.321 2.633 20 5 EFBDRO CCOC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602642178 479442242 /nfs/dbraw/zinc/44/22/42/479442242.db2.gz IJDVLUUWZRRHJH-INIZCTEOSA-N 1 0 336.436 2.609 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000602641476 479442853 /nfs/dbraw/zinc/44/28/53/479442853.db2.gz SCFBGFRBQQLJGK-BXUZGUMPSA-N 1 0 348.321 2.755 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000588821878 479444299 /nfs/dbraw/zinc/44/42/99/479444299.db2.gz OMIRVPUDKAAAEG-MRXNPFEDSA-N 1 0 343.431 2.830 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588821389 479444627 /nfs/dbraw/zinc/44/46/27/479444627.db2.gz FQEMCDJAXZLYKD-CYBMUJFWSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000614583884 479449615 /nfs/dbraw/zinc/44/96/15/479449615.db2.gz QWQQHVVRVDJOFM-SFHVURJKSA-N 1 0 341.342 2.830 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NCCC[NH2+]C3CCCCC3)c2c1 ZINC000611700717 479450574 /nfs/dbraw/zinc/45/05/74/479450574.db2.gz DAWZCNYOZBPZLC-UHFFFAOYSA-N 1 0 329.404 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000611706372 479451391 /nfs/dbraw/zinc/45/13/91/479451391.db2.gz JIVGLXQNEUFTTK-AWEZNQCLSA-N 1 0 327.388 2.603 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705812 479451433 /nfs/dbraw/zinc/45/14/33/479451433.db2.gz HQLPHRUZKDFTDN-CYBMUJFWSA-N 1 0 329.404 2.849 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611706580 479451958 /nfs/dbraw/zinc/45/19/58/479451958.db2.gz KNMRPATXUGLTMK-STQMWFEESA-N 1 0 329.404 2.847 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593764101 479452813 /nfs/dbraw/zinc/45/28/13/479452813.db2.gz VWZDHTGFUIOVQT-GUYCJALGSA-N 1 0 332.404 2.804 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000611712114 479453880 /nfs/dbraw/zinc/45/38/80/479453880.db2.gz FYXQPZZZODLUCU-AWEZNQCLSA-N 1 0 341.415 2.706 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000611710067 479454312 /nfs/dbraw/zinc/45/43/12/479454312.db2.gz YIVDJMFHWPKQED-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO C[NH+](C)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602695323 479482908 /nfs/dbraw/zinc/48/29/08/479482908.db2.gz MIRLWMKUZOGKBC-UHFFFAOYSA-N 1 0 334.239 2.603 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665430 479460040 /nfs/dbraw/zinc/46/00/40/479460040.db2.gz JHSAVIJRYKBQDB-DOMZBBRYSA-N 1 0 330.388 2.652 20 5 EFBDRO Cc1c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000602668366 479462966 /nfs/dbraw/zinc/46/29/66/479462966.db2.gz WOXKTJDKAUWICO-IRXDYDNUSA-N 1 0 334.416 2.703 20 5 EFBDRO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602668589 479462990 /nfs/dbraw/zinc/46/29/90/479462990.db2.gz DDXYVOVQEIWZNM-OAHLLOKOSA-N 1 0 349.479 2.669 20 5 EFBDRO COC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602671531 479465232 /nfs/dbraw/zinc/46/52/32/479465232.db2.gz KPMOYOKFQMRAQJ-UHFFFAOYSA-N 1 0 334.420 2.507 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1-c1ccccc1 ZINC000588969819 479465915 /nfs/dbraw/zinc/46/59/15/479465915.db2.gz LQDKSZVAILISAA-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602677076 479468802 /nfs/dbraw/zinc/46/88/02/479468802.db2.gz RPKMSEHTDPHIKQ-SNVBAGLBSA-N 1 0 335.223 2.933 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674864 479469347 /nfs/dbraw/zinc/46/93/47/479469347.db2.gz GXMBPGMRWUUUFN-BXUZGUMPSA-N 1 0 348.321 2.755 20 5 EFBDRO Cc1cc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602680149 479470683 /nfs/dbraw/zinc/47/06/83/479470683.db2.gz CMWLPYZZGXFTFK-UHFFFAOYSA-N 1 0 341.415 2.760 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000602686185 479474507 /nfs/dbraw/zinc/47/45/07/479474507.db2.gz BRUVSJQMYRMQSU-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO C[NH+](C)CC(C)(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602688952 479476598 /nfs/dbraw/zinc/47/65/98/479476598.db2.gz UHFLCVZZNMXNRP-UHFFFAOYSA-N 1 0 336.255 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)cn1 ZINC000602694088 479479676 /nfs/dbraw/zinc/47/96/76/479479676.db2.gz QMZXAJYCBZTFDN-HUUCEWRRSA-N 1 0 328.372 2.697 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000589113518 479480371 /nfs/dbraw/zinc/48/03/71/479480371.db2.gz DEPPVEXJIIFCQG-GHMZBOCLSA-N 1 0 347.337 2.505 20 5 EFBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCC[N@@H+]1C ZINC000602701082 479487607 /nfs/dbraw/zinc/48/76/07/479487607.db2.gz ZWHYXYPSTJPZGJ-SECBINFHSA-N 1 0 348.266 2.945 20 5 EFBDRO C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618561934 479493410 /nfs/dbraw/zinc/49/34/10/479493410.db2.gz INVZHVNSMCPCCE-GOSISDBHSA-N 1 0 346.475 2.588 20 5 EFBDRO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602709069 479493615 /nfs/dbraw/zinc/49/36/15/479493615.db2.gz ZRRUTYRDBMBQJU-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611824590 479493708 /nfs/dbraw/zinc/49/37/08/479493708.db2.gz ROCCHGUPNFKPQR-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1csc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000618562615 479493969 /nfs/dbraw/zinc/49/39/69/479493969.db2.gz SFUYXQWSWMZVOI-QWHCGFSZSA-N 1 0 335.433 2.872 20 5 EFBDRO Cc1csc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000618562602 479494257 /nfs/dbraw/zinc/49/42/57/479494257.db2.gz SFUYXQWSWMZVOI-CHWSQXEVSA-N 1 0 335.433 2.872 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000589189938 479494157 /nfs/dbraw/zinc/49/41/57/479494157.db2.gz BLYXRKBECYLITI-UHFFFAOYSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(C3CCCC3)C2)n1 ZINC000618567937 479495219 /nfs/dbraw/zinc/49/52/19/479495219.db2.gz MJLDXJKWEWPWBE-BHYGNILZSA-N 1 0 347.463 2.882 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593884648 479496328 /nfs/dbraw/zinc/49/63/28/479496328.db2.gz VKNJHWXWNLJICP-UHFFFAOYSA-N 1 0 331.372 2.899 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593884532 479496463 /nfs/dbraw/zinc/49/64/63/479496463.db2.gz XVRVHEQPLSCPPB-UHFFFAOYSA-N 1 0 333.432 2.817 20 5 EFBDRO CCC1(O)CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618571502 479496607 /nfs/dbraw/zinc/49/66/07/479496607.db2.gz XHGKYRILZROTDZ-KRIMKBQASA-N 1 0 336.436 2.948 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000593883479 479496549 /nfs/dbraw/zinc/49/65/49/479496549.db2.gz NKKKERGMJXDWET-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCCN1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602713387 479497236 /nfs/dbraw/zinc/49/72/36/479497236.db2.gz MIGDPBOEGRSIQO-SECBINFHSA-N 1 0 348.266 2.993 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593883612 479497355 /nfs/dbraw/zinc/49/73/55/479497355.db2.gz QUBNAHOOSGZXJO-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593884921 479497424 /nfs/dbraw/zinc/49/74/24/479497424.db2.gz YCDHTCXVBQEXAK-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000589205473 479497691 /nfs/dbraw/zinc/49/76/91/479497691.db2.gz SCNIJEPIRZNGCQ-GMNBZTITSA-N 1 0 329.400 2.552 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000602715047 479499868 /nfs/dbraw/zinc/49/98/68/479499868.db2.gz LZHWSXGOCNOCGJ-CQSZACIVSA-N 1 0 344.415 2.948 20 5 EFBDRO CC1(C)CC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000593894171 479500659 /nfs/dbraw/zinc/50/06/59/479500659.db2.gz WXJAMBMHXLBQAR-UHFFFAOYSA-N 1 0 337.395 2.702 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)CC2CC2)cc1Br ZINC000602718209 479500622 /nfs/dbraw/zinc/50/06/22/479500622.db2.gz QWLCIKPAXWIZLI-VIFPVBQESA-N 1 0 349.250 2.917 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593912443 479506197 /nfs/dbraw/zinc/50/61/97/479506197.db2.gz OAHAWWRIINMWHI-SJCJKPOMSA-N 1 0 349.456 2.908 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593915699 479507355 /nfs/dbraw/zinc/50/73/55/479507355.db2.gz KEWPSTWZTCTXHR-IINYFYTJSA-N 1 0 325.796 2.838 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593915184 479507753 /nfs/dbraw/zinc/50/77/53/479507753.db2.gz SBAVLSFTARBBKK-DCGLDWPTSA-N 1 0 349.456 2.663 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593918728 479508902 /nfs/dbraw/zinc/50/89/02/479508902.db2.gz JEGKOYHDIOWSEK-UHFFFAOYSA-N 1 0 333.413 2.929 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000618601571 479510268 /nfs/dbraw/zinc/51/02/68/479510268.db2.gz XMSMOXDKJCNWRP-OUOZUETKSA-N 1 0 341.415 2.600 20 5 EFBDRO COc1cc2[nH]c(NCc3ccc([N+](=O)[O-])cc3F)[nH+]c2cc1OC ZINC000618619227 479516860 /nfs/dbraw/zinc/51/68/60/479516860.db2.gz PRRCQQCQJFYIND-UHFFFAOYSA-N 1 0 346.318 2.661 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576002657 479520178 /nfs/dbraw/zinc/52/01/78/479520178.db2.gz AZFVDMUIUZABMQ-MRAWALMUSA-N 1 0 342.399 2.826 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000604467069 479520826 /nfs/dbraw/zinc/52/08/26/479520826.db2.gz VPQNELZEAKLEOA-RVKKMQEKSA-N 1 0 347.459 2.977 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939335 479527045 /nfs/dbraw/zinc/52/70/45/479527045.db2.gz INMFVINJHRRLHG-QWHCGFSZSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938955 479527577 /nfs/dbraw/zinc/52/75/77/479527577.db2.gz DCZVIHLHPZGXGG-CHWSQXEVSA-N 1 0 328.372 2.976 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000602750181 479528848 /nfs/dbraw/zinc/52/88/48/479528848.db2.gz FLZWDTUBZGXRMW-UHFFFAOYSA-N 1 0 328.294 2.642 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000604505412 479529768 /nfs/dbraw/zinc/52/97/68/479529768.db2.gz YWTMFVKAJKJBRE-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000604506148 479529848 /nfs/dbraw/zinc/52/98/48/479529848.db2.gz LQQGPZQNNSVXQT-NSHDSACASA-N 1 0 331.397 2.776 20 5 EFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)cc1OC ZINC000602766336 479536631 /nfs/dbraw/zinc/53/66/31/479536631.db2.gz QJJZWJGHHXKQPP-UHFFFAOYSA-N 1 0 348.403 2.639 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000602766874 479537354 /nfs/dbraw/zinc/53/73/54/479537354.db2.gz GDNPKFVDMWUCGS-INIZCTEOSA-N 1 0 332.379 2.946 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000602765554 479537847 /nfs/dbraw/zinc/53/78/47/479537847.db2.gz VGNSEITXCOMLDV-UHFFFAOYSA-N 1 0 344.415 2.891 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000604552453 479539323 /nfs/dbraw/zinc/53/93/23/479539323.db2.gz PSZMRNUPLPQKNS-NSHDSACASA-N 1 0 337.445 2.777 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000604552452 479539428 /nfs/dbraw/zinc/53/94/28/479539428.db2.gz PSZMRNUPLPQKNS-LLVKDONJSA-N 1 0 337.445 2.777 20 5 EFBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602771426 479541030 /nfs/dbraw/zinc/54/10/30/479541030.db2.gz ACGKIOMDTRZJII-HNNXBMFYSA-N 1 0 330.388 2.945 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000604561766 479545060 /nfs/dbraw/zinc/54/50/60/479545060.db2.gz XFYZQZYSZDBDET-OAHLLOKOSA-N 1 0 346.431 2.772 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000602780503 479549110 /nfs/dbraw/zinc/54/91/10/479549110.db2.gz VLVOQOUQWFWETG-KRWDZBQOSA-N 1 0 343.431 2.701 20 5 EFBDRO Cc1ccc(F)c(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000576150581 479549768 /nfs/dbraw/zinc/54/97/68/479549768.db2.gz TYXQCJFABWIUOV-HNNXBMFYSA-N 1 0 348.374 2.614 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594020678 479552178 /nfs/dbraw/zinc/55/21/78/479552178.db2.gz KWKULJPMLPKUNX-CQSZACIVSA-N 1 0 348.447 2.728 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000612028259 479554277 /nfs/dbraw/zinc/55/42/77/479554277.db2.gz YCPFAMYBCNRGHL-GDBMZVCRSA-N 1 0 328.368 2.612 20 5 EFBDRO C[NH+](C)CCN(c1ncnc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000589692373 479561634 /nfs/dbraw/zinc/56/16/34/479561634.db2.gz PBEZATDXLSVTSM-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000602808101 479567608 /nfs/dbraw/zinc/56/76/08/479567608.db2.gz XDOGELIVGGRNQH-ZDUSSCGKSA-N 1 0 340.387 2.636 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000602808760 479568078 /nfs/dbraw/zinc/56/80/78/479568078.db2.gz ZAJKXNPISAVJDG-CYBMUJFWSA-N 1 0 340.387 2.636 20 5 EFBDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602812883 479570842 /nfs/dbraw/zinc/57/08/42/479570842.db2.gz SGZLVVDHISNDHO-AWEZNQCLSA-N 1 0 334.376 2.676 20 5 EFBDRO CC[C@](C)(O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602819017 479572779 /nfs/dbraw/zinc/57/27/79/479572779.db2.gz YEBVMAYCRAUUFA-SFHVURJKSA-N 1 0 346.431 2.763 20 5 EFBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602817995 479573151 /nfs/dbraw/zinc/57/31/51/479573151.db2.gz MUGJAHCKKMPWOK-CQSZACIVSA-N 1 0 338.795 2.730 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000589886921 479580664 /nfs/dbraw/zinc/58/06/64/479580664.db2.gz SZYPAHANYHGUPF-ZDUSSCGKSA-N 1 0 348.447 2.859 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938049 479584134 /nfs/dbraw/zinc/58/41/34/479584134.db2.gz BLWVIPYSCVQWDY-RISCZKNCSA-N 1 0 348.321 2.929 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)n1 ZINC000618822999 479607110 /nfs/dbraw/zinc/60/71/10/479607110.db2.gz RHEPWKVRCQCLQK-CQSZACIVSA-N 1 0 342.399 2.995 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602892171 479615012 /nfs/dbraw/zinc/61/50/12/479615012.db2.gz RAKINIDWJYCLTM-HOTGVXAUSA-N 1 0 338.379 2.534 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000597207180 479621168 /nfs/dbraw/zinc/62/11/68/479621168.db2.gz SQEKZLZVZHPGEV-AHIVSBDTSA-N 1 0 329.400 2.599 20 5 EFBDRO CC[N@H+](CCOc1ccccc1OC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602904738 479622652 /nfs/dbraw/zinc/62/26/52/479622652.db2.gz LBHSTCKTPSDDKZ-UHFFFAOYSA-N 1 0 348.403 2.509 20 5 EFBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594196152 479626852 /nfs/dbraw/zinc/62/68/52/479626852.db2.gz LBVTWOWHLLUBPO-KGLIPLIRSA-N 1 0 349.456 2.820 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597220732 479627647 /nfs/dbraw/zinc/62/76/47/479627647.db2.gz GLPKRSVNUFEUNP-OJLVUWQFSA-N 1 0 332.400 2.847 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594201736 479630140 /nfs/dbraw/zinc/63/01/40/479630140.db2.gz QOIFEEXYDVHFAX-HUUCEWRRSA-N 1 0 347.415 2.740 20 5 EFBDRO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000602922689 479633196 /nfs/dbraw/zinc/63/31/96/479633196.db2.gz BTGIVBUIMPLDGW-KRWDZBQOSA-N 1 0 333.363 2.811 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000590402911 479640388 /nfs/dbraw/zinc/64/03/88/479640388.db2.gz KKBUFRUMGUWORX-GWCFXTLKSA-N 1 0 333.413 2.974 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCOCC1 ZINC000597252259 479645248 /nfs/dbraw/zinc/64/52/48/479645248.db2.gz QAEQHBJFUJPMDD-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCSCC3)CC2)c([N+](=O)[O-])c1 ZINC000602950248 479647185 /nfs/dbraw/zinc/64/71/85/479647185.db2.gz ZPKHDKPDYCBLPB-UHFFFAOYSA-N 1 0 349.456 2.803 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000602957407 479650927 /nfs/dbraw/zinc/65/09/27/479650927.db2.gz SPDYDTZNTLMTGU-JTQLQIEISA-N 1 0 346.412 2.600 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000615303166 479651983 /nfs/dbraw/zinc/65/19/83/479651983.db2.gz GGEZNBMHAWKDNJ-BFUOFWGJSA-N 1 0 349.434 2.846 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000579043964 479653674 /nfs/dbraw/zinc/65/36/74/479653674.db2.gz SHJWNXUCKOWRGH-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]([NH3+])c1ccccc1 ZINC000579108489 479661313 /nfs/dbraw/zinc/66/13/13/479661313.db2.gz SJDBTSJRWSSPCY-INIZCTEOSA-N 1 0 327.384 2.937 20 5 EFBDRO COc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590568762 479661393 /nfs/dbraw/zinc/66/13/93/479661393.db2.gz BVXZKZJVUGXSHS-KBPBESRZSA-N 1 0 337.420 2.823 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccsc1 ZINC000590571646 479661444 /nfs/dbraw/zinc/66/14/44/479661444.db2.gz UNHYKNODAJAGLB-LLVKDONJSA-N 1 0 326.809 2.841 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([NH+]4CCCC4)CC3)c21 ZINC000612443835 479673606 /nfs/dbraw/zinc/67/36/06/479673606.db2.gz OFOZDKPRSDEOJK-AWEZNQCLSA-N 1 0 341.415 2.993 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+](C4CCCC4)C3)c21 ZINC000612444142 479673882 /nfs/dbraw/zinc/67/38/82/479673882.db2.gz CTDIGPUWVNUVRS-GFCCVEGCSA-N 1 0 327.388 2.967 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000612446006 479674087 /nfs/dbraw/zinc/67/40/87/479674087.db2.gz KMCNPIZIUVPUEK-ZDUSSCGKSA-N 1 0 329.404 2.849 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612483460 479679812 /nfs/dbraw/zinc/67/98/12/479679812.db2.gz JRAVBKVTFRHLQC-NEPJUHHUSA-N 1 0 337.395 2.684 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000612691921 479733487 /nfs/dbraw/zinc/73/34/87/479733487.db2.gz UFDQREVPNDGJAU-AWRCXPFVSA-N 1 0 332.400 2.924 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000615835570 479766073 /nfs/dbraw/zinc/76/60/73/479766073.db2.gz RRLQGHDRIDFZAR-IWCZSELASA-N 1 0 345.443 2.529 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1O ZINC000615943155 479788591 /nfs/dbraw/zinc/78/85/91/479788591.db2.gz IEMBCGNULLKZRH-ZDUSSCGKSA-N 1 0 348.403 2.572 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000615941693 479789455 /nfs/dbraw/zinc/78/94/55/479789455.db2.gz IWSZLVSJGICODW-AWEZNQCLSA-N 1 0 339.823 2.939 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000619525363 479818930 /nfs/dbraw/zinc/81/89/30/479818930.db2.gz DJIKLUZGAQAUQN-KRWDZBQOSA-N 1 0 342.399 2.500 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000619532016 479821351 /nfs/dbraw/zinc/82/13/51/479821351.db2.gz XNRXCWQQFCJRAM-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619578696 479834404 /nfs/dbraw/zinc/83/44/04/479834404.db2.gz NJAQBNUBFZAYCS-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO Nc1c(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000619582009 479835371 /nfs/dbraw/zinc/83/53/71/479835371.db2.gz UHMRZXAEEVZSPU-UHFFFAOYSA-N 1 0 349.350 2.990 20 5 EFBDRO Cn1nc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000609466642 480164264 /nfs/dbraw/zinc/16/42/64/480164264.db2.gz XZGZTSXCSOKWIX-UHFFFAOYSA-N 1 0 326.356 2.650 20 5 EFBDRO CCCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000609574588 480179299 /nfs/dbraw/zinc/17/92/99/480179299.db2.gz ZLXGTOANJUZVLT-OAHLLOKOSA-N 1 0 346.387 2.600 20 5 EFBDRO CSc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609583585 480181582 /nfs/dbraw/zinc/18/15/82/480181582.db2.gz QLCDQTMEGXDTEM-LLVKDONJSA-N 1 0 337.445 2.777 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000609624028 480188886 /nfs/dbraw/zinc/18/88/86/480188886.db2.gz VXKSRXWTWXZEDT-UHFFFAOYSA-N 1 0 346.431 2.583 20 5 EFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609672627 480195110 /nfs/dbraw/zinc/19/51/10/480195110.db2.gz NLSDCJNBAFCWEI-UHFFFAOYSA-N 1 0 339.395 2.614 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000609793851 480205679 /nfs/dbraw/zinc/20/56/79/480205679.db2.gz UQBDWVUNRBALCO-NSHDSACASA-N 1 0 339.823 2.637 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848916 480211813 /nfs/dbraw/zinc/21/18/13/480211813.db2.gz OMATZTMYDZEYCQ-QWHCGFSZSA-N 1 0 346.387 2.800 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000609849517 480213226 /nfs/dbraw/zinc/21/32/26/480213226.db2.gz HNZFAAHGBVKAJB-CQSZACIVSA-N 1 0 327.388 2.603 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610023880 480230829 /nfs/dbraw/zinc/23/08/29/480230829.db2.gz OZFHVENGLKTCON-QWHCGFSZSA-N 1 0 334.420 2.685 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610063363 480232517 /nfs/dbraw/zinc/23/25/17/480232517.db2.gz RADAKCFBQWYJIB-MRXNPFEDSA-N 1 0 331.416 2.569 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610062193 480232680 /nfs/dbraw/zinc/23/26/80/480232680.db2.gz YDOPQPNPLOJNEM-AWEZNQCLSA-N 1 0 333.432 2.719 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610063362 480233466 /nfs/dbraw/zinc/23/34/66/480233466.db2.gz RADAKCFBQWYJIB-INIZCTEOSA-N 1 0 331.416 2.569 20 5 EFBDRO CN(C)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000610211481 480252488 /nfs/dbraw/zinc/25/24/88/480252488.db2.gz FVCIOPZZJTXNKO-UHFFFAOYSA-N 1 0 340.427 2.983 20 5 EFBDRO CNc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610244033 480257470 /nfs/dbraw/zinc/25/74/70/480257470.db2.gz VFBWNSYYTLEQTP-CQSZACIVSA-N 1 0 346.431 2.585 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279218 480269362 /nfs/dbraw/zinc/26/93/62/480269362.db2.gz AMKXOVWHXXLIMJ-OAHLLOKOSA-N 1 0 329.404 2.967 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000610411319 480300266 /nfs/dbraw/zinc/30/02/66/480300266.db2.gz OQBLLJADBVKBRB-UHFFFAOYSA-N 1 0 325.434 2.738 20 5 EFBDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420546 480302064 /nfs/dbraw/zinc/30/20/64/480302064.db2.gz PDHUQVXGONFXSQ-KBXCAEBGSA-N 1 0 333.432 2.889 20 5 EFBDRO COc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)C)c1 ZINC000610447516 480308145 /nfs/dbraw/zinc/30/81/45/480308145.db2.gz CDRXKHPAXKIZNB-UHFFFAOYSA-N 1 0 332.404 2.958 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000610468042 480313191 /nfs/dbraw/zinc/31/31/91/480313191.db2.gz OKEMFXCHMLXMRC-UHFFFAOYSA-N 1 0 332.356 2.726 20 5 EFBDRO CSc1cccc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000614457181 480313436 /nfs/dbraw/zinc/31/34/36/480313436.db2.gz ZZEKHWFPQYWNNW-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000610512471 480326143 /nfs/dbraw/zinc/32/61/43/480326143.db2.gz GZMMKPQGSFWUET-SNVBAGLBSA-N 1 0 343.225 2.719 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724497 480337692 /nfs/dbraw/zinc/33/76/92/480337692.db2.gz FNGKHHHPSFBLSW-RHSMWYFYSA-N 1 0 331.416 2.785 20 5 EFBDRO COC(=O)[C@@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610585865 480344946 /nfs/dbraw/zinc/34/49/46/480344946.db2.gz PZIJAMULQAWJFM-JTQLQIEISA-N 1 0 333.344 2.510 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617753246 480352421 /nfs/dbraw/zinc/35/24/21/480352421.db2.gz LXLMFOBIKXDJLX-YOEHRIQHSA-N 1 0 345.443 2.889 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610642970 480354361 /nfs/dbraw/zinc/35/43/61/480354361.db2.gz DQOLDJGQALMAFZ-KBPBESRZSA-N 1 0 348.447 2.994 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610642971 480354579 /nfs/dbraw/zinc/35/45/79/480354579.db2.gz DQOLDJGQALMAFZ-KGLIPLIRSA-N 1 0 348.447 2.994 20 5 EFBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000610662792 480357607 /nfs/dbraw/zinc/35/76/07/480357607.db2.gz XOTFAAVPSZUNPK-UHFFFAOYSA-N 1 0 343.383 2.981 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610715242 480371876 /nfs/dbraw/zinc/37/18/76/480371876.db2.gz RFMJYZKJJKRPRG-CYBMUJFWSA-N 1 0 335.404 2.738 20 5 EFBDRO C[NH2+]C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1 ZINC000630001117 480504953 /nfs/dbraw/zinc/50/49/53/480504953.db2.gz BJZAGBPCOSGHFV-UHFFFAOYSA-N 1 0 335.407 2.553 20 5 EFBDRO CC1(C)CCC[N@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000618198591 480565218 /nfs/dbraw/zinc/56/52/18/480565218.db2.gz GXUIBXWORQMCQA-UHFFFAOYSA-N 1 0 349.431 2.578 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000618280677 480603190 /nfs/dbraw/zinc/60/31/90/480603190.db2.gz PYIJQGXMEMJAOM-CQSZACIVSA-N 1 0 329.404 2.531 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000646862109 481520725 /nfs/dbraw/zinc/52/07/25/481520725.db2.gz VTRJVWVFLXSZCC-FZKQIMNGSA-N 1 0 335.407 2.576 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000189825739 533747538 /nfs/dbraw/zinc/74/75/38/533747538.db2.gz MBOAAYTWDSWUPT-YVEFUNNKSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133088886 533808739 /nfs/dbraw/zinc/80/87/39/533808739.db2.gz VYWROBQDAXYBIP-GJZGRUSLSA-N 1 0 333.432 2.746 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651481 533822260 /nfs/dbraw/zinc/82/22/60/533822260.db2.gz LZTMCSWWRLPDOX-AWEZNQCLSA-N 1 0 327.384 2.604 20 5 EFBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000183116869 533876490 /nfs/dbraw/zinc/87/64/90/533876490.db2.gz PQANIWFSRIPVTM-SWLSCSKDSA-N 1 0 331.372 2.949 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1Cl ZINC000183777003 533877683 /nfs/dbraw/zinc/87/76/83/533877683.db2.gz BLDGPRYKHAARCL-JTQLQIEISA-N 1 0 339.754 2.900 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000191798220 533947779 /nfs/dbraw/zinc/94/77/79/533947779.db2.gz OGMWMWPNESCSQI-GOSISDBHSA-N 1 0 339.395 2.794 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000181785129 534069315 /nfs/dbraw/zinc/06/93/15/534069315.db2.gz ATDDPMDDGTZPLE-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000152042612 534319102 /nfs/dbraw/zinc/31/91/02/534319102.db2.gz HCSXREVBSDHUNP-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000045830884 518161487 /nfs/dbraw/zinc/16/14/87/518161487.db2.gz IXXIAIIXFHOQJR-MRXNPFEDSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360655907 518177169 /nfs/dbraw/zinc/17/71/69/518177169.db2.gz ZPCDXCGXGOMVGJ-AWEZNQCLSA-N 1 0 344.415 2.743 20 5 EFBDRO CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000090177808 518721706 /nfs/dbraw/zinc/72/17/06/518721706.db2.gz RSDAIHHNGZHDGS-HZPDHXFCSA-N 1 0 345.443 2.905 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000074137068 519208915 /nfs/dbraw/zinc/20/89/15/519208915.db2.gz OLPGPKAMYAAZBB-AWEZNQCLSA-N 1 0 339.461 2.779 20 5 EFBDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000119873755 519760459 /nfs/dbraw/zinc/76/04/59/519760459.db2.gz TXJJYVQVOSTPCJ-MRXNPFEDSA-N 1 0 335.404 2.670 20 5 EFBDRO CC1(C)CC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000011368702 520284492 /nfs/dbraw/zinc/28/44/92/520284492.db2.gz HIUABWVOFUJJOY-UHFFFAOYSA-N 1 0 348.447 2.822 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823791 520727252 /nfs/dbraw/zinc/72/72/52/520727252.db2.gz PKHFWTLCNBQBBN-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000081941416 520736085 /nfs/dbraw/zinc/73/60/85/520736085.db2.gz IDHJXMJODZXQMB-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072823793 520738952 /nfs/dbraw/zinc/73/89/52/520738952.db2.gz PKHFWTLCNBQBBN-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180523567 520756859 /nfs/dbraw/zinc/75/68/59/520756859.db2.gz CYGIYVCJLCXCTF-UHFFFAOYSA-N 1 0 343.387 2.666 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240718 520777202 /nfs/dbraw/zinc/77/72/02/520777202.db2.gz AYCSUHCETAJMIQ-CRAIPNDOSA-N 1 0 335.448 2.994 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000089634251 520789202 /nfs/dbraw/zinc/78/92/02/520789202.db2.gz LLILCAAFOLCNJZ-SWLSCSKDSA-N 1 0 328.434 2.849 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072834614 520848307 /nfs/dbraw/zinc/84/83/07/520848307.db2.gz LJWNLPZJVPXSBF-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240591 521159902 /nfs/dbraw/zinc/15/99/02/521159902.db2.gz AYCSUHCETAJMIQ-QAPCUYQASA-N 1 0 335.448 2.994 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178658146 521876988 /nfs/dbraw/zinc/87/69/88/521876988.db2.gz VVIRDBITWFKUDR-ZDUSSCGKSA-N 1 0 327.384 2.848 20 5 EFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112379553 522021139 /nfs/dbraw/zinc/02/11/39/522021139.db2.gz RNSFVFKKHHOPGL-SCLBCKFNSA-N 1 0 346.431 2.882 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159502280 522051458 /nfs/dbraw/zinc/05/14/58/522051458.db2.gz LDSCRHLTEKHJFO-NSHDSACASA-N 1 0 328.210 2.541 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188118655 522060707 /nfs/dbraw/zinc/06/07/07/522060707.db2.gz CJRYDMDOKYPBPA-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157883188 522083439 /nfs/dbraw/zinc/08/34/39/522083439.db2.gz XXEPSHYOOZBBPR-GFCCVEGCSA-N 1 0 342.237 2.789 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154596236 522099730 /nfs/dbraw/zinc/09/97/30/522099730.db2.gz NQMFHMHGPARYNC-OLZOCXBDSA-N 1 0 342.399 2.746 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000081290268 522145789 /nfs/dbraw/zinc/14/57/89/522145789.db2.gz ATCFMIZFLUHXPG-HNNXBMFYSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000245911275 522351361 /nfs/dbraw/zinc/35/13/61/522351361.db2.gz FWDKUVMEGMRYRC-IUODEOHRSA-N 1 0 338.404 2.595 20 5 EFBDRO COCC(C)(C)[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000182432445 522826090 /nfs/dbraw/zinc/82/60/90/522826090.db2.gz BSHWRBNCBYJMEC-UHFFFAOYSA-N 1 0 348.346 2.762 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000195347476 523669565 /nfs/dbraw/zinc/66/95/65/523669565.db2.gz ZLRHYXFABZJZKX-ZDUSSCGKSA-N 1 0 343.431 2.978 20 5 EFBDRO CN(C)C(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194408042 524009380 /nfs/dbraw/zinc/00/93/80/524009380.db2.gz WNSRRVOXNFIVLB-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000067223885 524089033 /nfs/dbraw/zinc/08/90/33/524089033.db2.gz NCTXRGWMXFSPNW-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694654 524118415 /nfs/dbraw/zinc/11/84/15/524118415.db2.gz JHBFITYYKBRIAO-ZNMIVQPWSA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000173279518 524152949 /nfs/dbraw/zinc/15/29/49/524152949.db2.gz OPKFNLGHFIJMJP-INIZCTEOSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000153353192 524183694 /nfs/dbraw/zinc/18/36/94/524183694.db2.gz SYUVZZXFVNNRNE-PBHICJAKSA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182071922 524300876 /nfs/dbraw/zinc/30/08/76/524300876.db2.gz DSOOWXCOZDVFSJ-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120653640 524342462 /nfs/dbraw/zinc/34/24/62/524342462.db2.gz TYACZWGSRMVEPM-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120743617 524557906 /nfs/dbraw/zinc/55/79/06/524557906.db2.gz ABJRHMVHGSZDGH-HZMBPMFUSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000182103924 524573986 /nfs/dbraw/zinc/57/39/86/524573986.db2.gz PMLUAKMJQJWAMB-AWEZNQCLSA-N 1 0 327.384 2.845 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115639 524607260 /nfs/dbraw/zinc/60/72/60/524607260.db2.gz UHZHMILIGRPELY-NEPJUHHUSA-N 1 0 344.371 2.676 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120016949 524955926 /nfs/dbraw/zinc/95/59/26/524955926.db2.gz KOBZOQRXKMMCAI-OAHLLOKOSA-N 1 0 338.404 2.729 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000066186118 525175557 /nfs/dbraw/zinc/17/55/57/525175557.db2.gz CVOPWZZWFSIVKD-CZUORRHYSA-N 1 0 332.404 2.536 20 5 EFBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000081732241 525217832 /nfs/dbraw/zinc/21/78/32/525217832.db2.gz ZKBYBJDJOMWMGC-LBPRGKRZSA-N 1 0 348.447 2.875 20 5 EFBDRO C[S@@](=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183131025 525366539 /nfs/dbraw/zinc/36/65/39/525366539.db2.gz HNJSKUFDXQXAKN-MZNJEOGPSA-N 1 0 348.424 2.683 20 5 EFBDRO Cc1c(Br)c(N[C@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000165747438 525524005 /nfs/dbraw/zinc/52/40/05/525524005.db2.gz WKUYAPHLORXVER-MRVPVSSYSA-N 1 0 331.214 2.813 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000245497996 525855519 /nfs/dbraw/zinc/85/55/19/525855519.db2.gz VEVJFDITGJVZDK-UONOGXRCSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000120917805 526167838 /nfs/dbraw/zinc/16/78/38/526167838.db2.gz FTDRUVZMNVCKQE-CQSZACIVSA-N 1 0 327.384 2.984 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000343973377 534913764 /nfs/dbraw/zinc/91/37/64/534913764.db2.gz QRSCBMNGXZMNJS-ZDUSSCGKSA-N 1 0 332.404 2.766 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153597609 526260570 /nfs/dbraw/zinc/26/05/70/526260570.db2.gz KVLAWUHDLSQTNQ-QAPCUYQASA-N 1 0 343.427 2.992 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153835148 526472362 /nfs/dbraw/zinc/47/23/62/526472362.db2.gz FQBXDEZMDYCSQO-AWEZNQCLSA-N 1 0 335.404 2.988 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136979366 526574881 /nfs/dbraw/zinc/57/48/81/526574881.db2.gz LMYSUPPYTZHYPM-LBPRGKRZSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([NH+]2CCCC2)CC1 ZINC000104405405 526581648 /nfs/dbraw/zinc/58/16/48/526581648.db2.gz DHTSHVPSXQBYCV-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077510557 526610969 /nfs/dbraw/zinc/61/09/69/526610969.db2.gz ZINRFIURHAVYCI-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO Cc1noc([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000067387453 526651746 /nfs/dbraw/zinc/65/17/46/526651746.db2.gz WQLQTYIKOBXWHM-CYBMUJFWSA-N 1 0 332.360 2.545 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351621079 536474432 /nfs/dbraw/zinc/47/44/32/536474432.db2.gz PSOKAHACLQENSD-IAQYHMDHSA-N 1 0 336.367 2.682 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000246231243 526995736 /nfs/dbraw/zinc/99/57/36/526995736.db2.gz GFJZDEQRIFAGAZ-GOEBONIOSA-N 1 0 329.400 2.570 20 5 EFBDRO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245517542 527061807 /nfs/dbraw/zinc/06/18/07/527061807.db2.gz AFMPDOXRPCBIIA-BMFZPTHFSA-N 1 0 331.416 2.564 20 5 EFBDRO [NH3+]C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000237821734 527130249 /nfs/dbraw/zinc/13/02/49/527130249.db2.gz WFVXWTPRKBXCOG-UHFFFAOYSA-N 1 0 334.420 2.565 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCCC1 ZINC000173015884 527270762 /nfs/dbraw/zinc/27/07/62/527270762.db2.gz IZFODJYVGLWLGE-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)C1CCC1 ZINC000228522729 527327855 /nfs/dbraw/zinc/32/78/55/527327855.db2.gz JFXRIOAATHSUPW-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157320874 527371281 /nfs/dbraw/zinc/37/12/81/527371281.db2.gz IORUUQYEFPMPAO-MRXNPFEDSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000245718309 527391469 /nfs/dbraw/zinc/39/14/69/527391469.db2.gz QQVGLHMLDOWVIC-WMZOPIPTSA-N 1 0 343.383 2.567 20 5 EFBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(Br)c1 ZINC000093434098 527409419 /nfs/dbraw/zinc/40/94/19/527409419.db2.gz NIUGZEBBGIEFTB-UHFFFAOYSA-N 1 0 329.198 2.650 20 5 EFBDRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000131378428 527786278 /nfs/dbraw/zinc/78/62/78/527786278.db2.gz OREVPFKWFDHTBD-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000174474123 527816438 /nfs/dbraw/zinc/81/64/38/527816438.db2.gz PIIAXTIXMUYGMM-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000174967448 527834985 /nfs/dbraw/zinc/83/49/85/527834985.db2.gz QDRWWUNCBHUJER-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229244 527848499 /nfs/dbraw/zinc/84/84/99/527848499.db2.gz IRTGVLCTLAFPKE-CYBMUJFWSA-N 1 0 339.411 2.906 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000189324749 527872537 /nfs/dbraw/zinc/87/25/37/527872537.db2.gz ROUKGUQHNQGBLN-KGLIPLIRSA-N 1 0 333.413 2.967 20 5 EFBDRO CCCN(CCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000190398812 528071566 /nfs/dbraw/zinc/07/15/66/528071566.db2.gz AUFVXMJYEXCCAK-UHFFFAOYSA-N 1 0 334.420 2.648 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130233854 528077860 /nfs/dbraw/zinc/07/78/60/528077860.db2.gz MRFKDAANLRIWNA-UHFFFAOYSA-N 1 0 347.419 2.665 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154711535 528099700 /nfs/dbraw/zinc/09/97/00/528099700.db2.gz UZVPJJMVVRNFKF-UHFFFAOYSA-N 1 0 344.415 2.995 20 5 EFBDRO CC[NH+](CC)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130913450 528128907 /nfs/dbraw/zinc/12/89/07/528128907.db2.gz KSEVQLKWBOGKCY-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000187042286 528143059 /nfs/dbraw/zinc/14/30/59/528143059.db2.gz XGSANIMJTKYWJF-HOTGVXAUSA-N 1 0 349.431 2.767 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174225966 528177419 /nfs/dbraw/zinc/17/74/19/528177419.db2.gz NYZARMQUQXNYTB-AWEZNQCLSA-N 1 0 349.431 2.625 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000184331177 528279254 /nfs/dbraw/zinc/27/92/54/528279254.db2.gz YJAYMVLXZUSPQJ-OAHLLOKOSA-N 1 0 346.387 2.583 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174171730 528287606 /nfs/dbraw/zinc/28/76/06/528287606.db2.gz CRNLOSXOAQCBEH-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183630206 528336590 /nfs/dbraw/zinc/33/65/90/528336590.db2.gz YSNGAYACXRCIFF-UHFFFAOYSA-N 1 0 349.435 2.966 20 5 EFBDRO CC(C)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174663863 528571809 /nfs/dbraw/zinc/57/18/09/528571809.db2.gz PWAQCZOZUKITNQ-IRXDYDNUSA-N 1 0 332.404 2.529 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154220457 528606168 /nfs/dbraw/zinc/60/61/68/528606168.db2.gz WPHVRXRDUJTXGI-ZFWWWQNUSA-N 1 0 338.404 2.840 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)N[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153244421 528606229 /nfs/dbraw/zinc/60/62/29/528606229.db2.gz KRYOYYOYWNSIOK-OLZOCXBDSA-N 1 0 337.420 2.949 20 5 EFBDRO CCOC(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242765 528697272 /nfs/dbraw/zinc/69/72/72/528697272.db2.gz UMPKUGGCHBNWQI-UHFFFAOYSA-N 1 0 336.388 2.781 20 5 EFBDRO CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191520289 528862547 /nfs/dbraw/zinc/86/25/47/528862547.db2.gz IKWBUMHXKLZPPM-QGZVFWFLSA-N 1 0 346.431 2.799 20 5 EFBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)C ZINC000189563419 528906830 /nfs/dbraw/zinc/90/68/30/528906830.db2.gz BKDIWPCTVMJCKE-UHFFFAOYSA-N 1 0 343.449 2.529 20 5 EFBDRO CCC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178521502 529006520 /nfs/dbraw/zinc/00/65/20/529006520.db2.gz TXOCGIWKMZRMRG-GOSISDBHSA-N 1 0 335.448 2.872 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171609750 529013399 /nfs/dbraw/zinc/01/33/99/529013399.db2.gz RXJCSHCWBRNWOJ-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171609742 529022767 /nfs/dbraw/zinc/02/27/67/529022767.db2.gz RXJCSHCWBRNWOJ-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132440193 529138842 /nfs/dbraw/zinc/13/88/42/529138842.db2.gz KXQNEGUYNMWOIY-CQSZACIVSA-N 1 0 335.404 2.859 20 5 EFBDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178670971 529203172 /nfs/dbraw/zinc/20/31/72/529203172.db2.gz BMGYDTVNASEWBL-CHWSQXEVSA-N 1 0 345.321 2.799 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778698 529236264 /nfs/dbraw/zinc/23/62/64/529236264.db2.gz YQLLWGQLCFSILZ-GOEBONIOSA-N 1 0 338.404 2.608 20 5 EFBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130157582 529260261 /nfs/dbraw/zinc/26/02/61/529260261.db2.gz LKCUHNIOPXXCAN-WMZOPIPTSA-N 1 0 345.399 2.813 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000412248101 534946288 /nfs/dbraw/zinc/94/62/88/534946288.db2.gz KUASJZUTFBWFEH-CZUORRHYSA-N 1 0 347.415 2.548 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412036383 535021779 /nfs/dbraw/zinc/02/17/79/535021779.db2.gz FTPMHONWHIOBDT-VBQJREDUSA-N 1 0 334.416 2.975 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342089597 535021870 /nfs/dbraw/zinc/02/18/70/535021870.db2.gz RYEKRBCRAWYMAN-RRQGHBQHSA-N 1 0 333.432 2.941 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000356804275 535022577 /nfs/dbraw/zinc/02/25/77/535022577.db2.gz KNOCBPBWYQZBQJ-STQMWFEESA-N 1 0 339.461 2.920 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000355870798 535057502 /nfs/dbraw/zinc/05/75/02/535057502.db2.gz DZWBDPUGUQZXKU-UHFFFAOYSA-N 1 0 337.420 2.551 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418422012 535226708 /nfs/dbraw/zinc/22/67/08/535226708.db2.gz IFYHZPNTZMVKIX-IUODEOHRSA-N 1 0 334.420 2.647 20 5 EFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000236838735 535241488 /nfs/dbraw/zinc/24/14/88/535241488.db2.gz FXUOPAHVKBWLIM-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412351239 535244961 /nfs/dbraw/zinc/24/49/61/535244961.db2.gz ASMMEPMMWNJAER-RRQGHBQHSA-N 1 0 333.432 2.935 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342933761 535260940 /nfs/dbraw/zinc/26/09/40/535260940.db2.gz JDZOIASRSPWDNB-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)c1 ZINC000344426512 535426921 /nfs/dbraw/zinc/42/69/21/535426921.db2.gz IWPIJIPJEJHOAY-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000338446252 535427378 /nfs/dbraw/zinc/42/73/78/535427378.db2.gz NFPKHQOTMGUVNP-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000236856783 535456675 /nfs/dbraw/zinc/45/66/75/535456675.db2.gz PHGCQHVHXQOIRM-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343280802 535587247 /nfs/dbraw/zinc/58/72/47/535587247.db2.gz NBXNKJVNBDILEI-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000359530687 535605207 /nfs/dbraw/zinc/60/52/07/535605207.db2.gz DKNJSTASPUCXTB-CZUORRHYSA-N 1 0 345.399 2.976 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342929642 535662076 /nfs/dbraw/zinc/66/20/76/535662076.db2.gz QESMBIQPMDEXJY-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000344575772 535675737 /nfs/dbraw/zinc/67/57/37/535675737.db2.gz CACQHXSFWRDZFO-AWEZNQCLSA-N 1 0 336.413 2.810 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710679 535771754 /nfs/dbraw/zinc/77/17/54/535771754.db2.gz LVBALALEBUWPBN-RDJZCZTQSA-N 1 0 333.432 2.716 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193300155 535782169 /nfs/dbraw/zinc/78/21/69/535782169.db2.gz UOTUNZATNUSQRL-BBRMVZONSA-N 1 0 333.388 2.793 20 5 EFBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000342820470 535784836 /nfs/dbraw/zinc/78/48/36/535784836.db2.gz JBSPRDGDRCAUFH-UHFFFAOYSA-N 1 0 336.388 2.911 20 5 EFBDRO CC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000343886554 535819849 /nfs/dbraw/zinc/81/98/49/535819849.db2.gz RADHZJJMDWVDCW-CQSZACIVSA-N 1 0 331.416 2.996 20 5 EFBDRO CC[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660567 535822075 /nfs/dbraw/zinc/82/20/75/535822075.db2.gz CNPXUGPNXDHHLF-KGLIPLIRSA-N 1 0 340.445 2.927 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000344217234 535846466 /nfs/dbraw/zinc/84/64/66/535846466.db2.gz QPQZGYBCQJYAMD-UHFFFAOYSA-N 1 0 331.347 2.942 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349293873 535865786 /nfs/dbraw/zinc/86/57/86/535865786.db2.gz GNUKUAUFUOCOSZ-UHFFFAOYSA-N 1 0 332.379 2.693 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344207438 536034086 /nfs/dbraw/zinc/03/40/86/536034086.db2.gz GQUUXUIZNQMKQK-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO CN(CC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000266257672 536037069 /nfs/dbraw/zinc/03/70/69/536037069.db2.gz LMIVMLVKFCGNPE-UHFFFAOYSA-N 1 0 342.399 2.731 20 5 EFBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000342323587 536347524 /nfs/dbraw/zinc/34/75/24/536347524.db2.gz YDRZJXMMUSSDBM-CQSZACIVSA-N 1 0 339.461 2.676 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000414639479 536404798 /nfs/dbraw/zinc/40/47/98/536404798.db2.gz FKEFVXCFKSBUNT-SSDOTTSWSA-N 1 0 330.266 2.814 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000414639464 536404853 /nfs/dbraw/zinc/40/48/53/536404853.db2.gz FHZNZEDOSASWNX-SSDOTTSWSA-N 1 0 341.165 2.558 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(C)CC[NH+](C)CC1 ZINC000342914453 536587907 /nfs/dbraw/zinc/58/79/07/536587907.db2.gz AZYACRNWNHPEIZ-UHFFFAOYSA-N 1 0 335.404 2.834 20 5 EFBDRO COc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000355857896 536693267 /nfs/dbraw/zinc/69/32/67/536693267.db2.gz BRHQAOKUDFXNJY-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO COc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000354114843 536846128 /nfs/dbraw/zinc/84/61/28/536846128.db2.gz MYDLUKPPXGVNCM-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO Cc1cc(N[C@@H](C)Cc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450837746 546254605 /nfs/dbraw/zinc/25/46/05/546254605.db2.gz DGSBDYSRMUKLCC-NSHDSACASA-N 1 0 325.372 2.650 20 5 EFBDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753940640 575363616 /nfs/dbraw/zinc/36/36/16/575363616.db2.gz UUMKYWJPJVLLFY-GOEBONIOSA-N 1 0 333.432 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC000754251881 575411176 /nfs/dbraw/zinc/41/11/76/575411176.db2.gz XULUPLJODPHDCT-MRXNPFEDSA-N 1 0 336.775 2.950 20 5 EFBDRO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346821 575423291 /nfs/dbraw/zinc/42/32/91/575423291.db2.gz GTIUEZOQKHLRNQ-CVEARBPZSA-N 1 0 334.372 2.761 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754361539 575424976 /nfs/dbraw/zinc/42/49/76/575424976.db2.gz IIARBAJHFDRCQG-XHDPSFHLSA-N 1 0 325.384 2.540 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000754520735 575446339 /nfs/dbraw/zinc/44/63/39/575446339.db2.gz WDUUZBFQQGTLCG-SMDDNHRTSA-N 1 0 341.795 2.734 20 5 EFBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984137 575666440 /nfs/dbraw/zinc/66/64/40/575666440.db2.gz JRQADQNCVRYPCV-HNNXBMFYSA-N 1 0 347.321 2.768 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000756090547 575682336 /nfs/dbraw/zinc/68/23/36/575682336.db2.gz JGWJMGNACMYDSE-CQSZACIVSA-N 1 0 349.406 2.846 20 5 EFBDRO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000756998379 575809413 /nfs/dbraw/zinc/80/94/13/575809413.db2.gz LEHZVZPTKKMNHV-AWEZNQCLSA-N 1 0 327.812 2.985 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757795330 575853130 /nfs/dbraw/zinc/85/31/30/575853130.db2.gz KXZMNGFCWGPOSJ-NOZJJQNGSA-N 1 0 338.795 2.852 20 5 EFBDRO Cc1nn(CN2CCC3(CC2)OCc2ccccc23)c(C)c1[N+](=O)[O-] ZINC000759752368 575930226 /nfs/dbraw/zinc/93/02/26/575930226.db2.gz UCFDJJRMEULIQA-UHFFFAOYSA-N 1 0 342.399 2.887 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898960 576086157 /nfs/dbraw/zinc/08/61/57/576086157.db2.gz MZZIFGXGWVQAKD-UHFFFAOYSA-N 1 0 336.388 2.578 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC3(C2)CCOCC3)c2cc([N+](=O)[O-])ccc12 ZINC000761290393 576140963 /nfs/dbraw/zinc/14/09/63/576140963.db2.gz JNQGBHQLFVZPDE-UHFFFAOYSA-N 1 0 330.388 2.713 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292740 576141508 /nfs/dbraw/zinc/14/15/08/576141508.db2.gz MSMDFTPGDZPANW-OAHLLOKOSA-N 1 0 344.415 2.959 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761525436 576174463 /nfs/dbraw/zinc/17/44/63/576174463.db2.gz JZZPKGXIFCFKDW-RYUDHWBXSA-N 1 0 346.836 2.694 20 5 EFBDRO C[NH+]1CCC(NC(=S)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000763306206 576371929 /nfs/dbraw/zinc/37/19/29/576371929.db2.gz SBBCSEOHSCELRT-UHFFFAOYSA-N 1 0 348.472 2.528 20 5 EFBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000763523894 576380027 /nfs/dbraw/zinc/38/00/27/576380027.db2.gz KANIVDYSCZVFHO-RISCZKNCSA-N 1 0 348.355 2.561 20 5 EFBDRO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000764315977 576447934 /nfs/dbraw/zinc/44/79/34/576447934.db2.gz SAVBVEOKUROBPA-AWEZNQCLSA-N 1 0 342.399 2.881 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cccc1[N+](=O)[O-] ZINC000764959009 576529131 /nfs/dbraw/zinc/52/91/31/576529131.db2.gz YWGPKPRYHYGAHD-CYBMUJFWSA-N 1 0 338.371 2.730 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764986829 576533023 /nfs/dbraw/zinc/53/30/23/576533023.db2.gz HMUYQGDHCMIGRI-CQSZACIVSA-N 1 0 332.404 2.959 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764986828 576533087 /nfs/dbraw/zinc/53/30/87/576533087.db2.gz HMUYQGDHCMIGRI-AWEZNQCLSA-N 1 0 332.404 2.959 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039159 576539495 /nfs/dbraw/zinc/53/94/95/576539495.db2.gz PRTBNKHFKTWEJE-OAHLLOKOSA-N 1 0 345.447 2.874 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765038172 576539603 /nfs/dbraw/zinc/53/96/03/576539603.db2.gz NHGXYOCCVRSYOO-OAHLLOKOSA-N 1 0 331.420 2.627 20 5 EFBDRO Cc1nn(C[N@H+](C)CCC2CCOCC2)c2ccc([N+](=O)[O-])cc12 ZINC000765074467 577003895 /nfs/dbraw/zinc/00/38/95/577003895.db2.gz RJUGPWVVPYKMCI-UHFFFAOYSA-N 1 0 332.404 2.959 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765289193 577027822 /nfs/dbraw/zinc/02/78/22/577027822.db2.gz MVKIVDOEWIVNJT-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000765508845 577048705 /nfs/dbraw/zinc/04/87/05/577048705.db2.gz LDCWEKXVSSKNNW-VHSXEESVSA-N 1 0 341.795 2.929 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000765517231 577049891 /nfs/dbraw/zinc/04/98/91/577049891.db2.gz WBWXFHDDIGJNHT-RDJZCZTQSA-N 1 0 335.448 2.866 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765663271 577063756 /nfs/dbraw/zinc/06/37/56/577063756.db2.gz NMDJTTDMJJQORC-CQSZACIVSA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000765979705 577094654 /nfs/dbraw/zinc/09/46/54/577094654.db2.gz WZUHSRRFKHXUEA-KBXCAEBGSA-N 1 0 333.432 2.889 20 5 EFBDRO CCc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000766004048 577097649 /nfs/dbraw/zinc/09/76/49/577097649.db2.gz RDCPMXHIZHZPCZ-UHFFFAOYSA-N 1 0 329.404 2.639 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766248710 577126725 /nfs/dbraw/zinc/12/67/25/577126725.db2.gz NEOLZISMZBBVOL-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(C)(O)CC1 ZINC000766479892 577156807 /nfs/dbraw/zinc/15/68/07/577156807.db2.gz PSFHQFBRFLZOPG-SFYCDEOASA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C)(O)CC1 ZINC000766481409 577157131 /nfs/dbraw/zinc/15/71/31/577157131.db2.gz ZYAVAIDLSCECEZ-RFSCMCKOSA-N 1 0 335.404 2.595 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766554151 577166158 /nfs/dbraw/zinc/16/61/58/577166158.db2.gz FWEDZFGGNARADR-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766557575 577166561 /nfs/dbraw/zinc/16/65/61/577166561.db2.gz VUDIGJROYNGECH-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766583497 577168853 /nfs/dbraw/zinc/16/88/53/577168853.db2.gz WNLUHZZLYNZOSX-HUUCEWRRSA-N 1 0 333.432 2.968 20 5 EFBDRO COc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000766928185 577188404 /nfs/dbraw/zinc/18/84/04/577188404.db2.gz RSLLMIMQBVFFEA-ZDUSSCGKSA-N 1 0 335.360 2.920 20 5 EFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954750 577189639 /nfs/dbraw/zinc/18/96/39/577189639.db2.gz PYCSXHNBAUKINX-SUMWQHHRSA-N 1 0 348.378 2.556 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000725789533 577225696 /nfs/dbraw/zinc/22/56/96/577225696.db2.gz IYXSOTOHRXOLAK-UHFFFAOYSA-N 1 0 346.431 2.790 20 5 EFBDRO CC(=O)N1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000768215632 577260985 /nfs/dbraw/zinc/26/09/85/577260985.db2.gz VTNHKOYJMKWJOG-UHFFFAOYSA-N 1 0 325.796 2.691 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000768706186 577296422 /nfs/dbraw/zinc/29/64/22/577296422.db2.gz JBBQGLDNZDXNAV-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO CCCCCC[N@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769602763 577374572 /nfs/dbraw/zinc/37/45/72/577374572.db2.gz HVTQUFUWBBHKHW-UHFFFAOYSA-N 1 0 347.419 2.599 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770018719 577397955 /nfs/dbraw/zinc/39/79/55/577397955.db2.gz ZLKIKGMSHGQLPT-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000770689222 581126019 /nfs/dbraw/zinc/12/60/19/581126019.db2.gz PMVDYDYDYOAZIX-RBUKOAKNSA-N 1 0 340.379 2.760 20 5 EFBDRO Cc1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000771189648 581185785 /nfs/dbraw/zinc/18/57/85/581185785.db2.gz XJVXNJBGVNYWSL-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO CCc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000773136179 581399944 /nfs/dbraw/zinc/39/99/44/581399944.db2.gz GLLKLYBMYUFVLD-GFCCVEGCSA-N 1 0 344.419 2.595 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2cccc(F)c2)n1 ZINC000774148161 581485591 /nfs/dbraw/zinc/48/55/91/581485591.db2.gz PSTWNTBDIPQXLM-OAGGEKHMSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000774232465 581487752 /nfs/dbraw/zinc/48/77/52/581487752.db2.gz YTKXSFHCKHWKLA-LSDHHAIUSA-N 1 0 345.359 2.973 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2ccc(F)cc2)n1 ZINC000774392288 581490722 /nfs/dbraw/zinc/49/07/22/581490722.db2.gz KURBOBFWQXPMTJ-PMPSAXMXSA-N 1 0 348.378 2.737 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639143 581496048 /nfs/dbraw/zinc/49/60/48/581496048.db2.gz UBHKKMUDJOLUKP-GFCCVEGCSA-N 1 0 337.811 2.581 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000774902568 581503615 /nfs/dbraw/zinc/50/36/15/581503615.db2.gz IGHRTEYFIKBMOW-OCCSQVGLSA-N 1 0 336.392 2.808 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824612111 608564014 /nfs/dbraw/zinc/56/40/14/608564014.db2.gz JDAZCUSKJGVBLE-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000850395542 1250463113 /nfs/dbraw/zinc/46/31/13/1250463113.db2.gz ALICQWQYBXPLLU-LLVKDONJSA-N 1 0 339.823 2.985 20 5 EFBDRO CCOC(=O)NC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000850431902 1250484489 /nfs/dbraw/zinc/48/44/89/1250484489.db2.gz MSUHSDLYBKSZCL-UHFFFAOYSA-N 1 0 335.404 2.784 20 5 EFBDRO CCOC(=O)NC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000850438750 1250487128 /nfs/dbraw/zinc/48/71/28/1250487128.db2.gz WRSATNZTFLIGSL-UHFFFAOYSA-N 1 0 335.404 2.784 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000850449322 1250490085 /nfs/dbraw/zinc/49/00/85/1250490085.db2.gz VMNLSRKQEBWIBL-OCCSQVGLSA-N 1 0 336.388 2.940 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000850468507 1250496299 /nfs/dbraw/zinc/49/62/99/1250496299.db2.gz HYMFDEXNXYOTHT-BKGUAONASA-N 1 0 344.367 2.749 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850503143 1250511579 /nfs/dbraw/zinc/51/15/79/1250511579.db2.gz UQBLVBSMAYQMJM-MEECLSRCSA-N 1 0 325.434 2.517 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1SCCS1 ZINC000850562092 1250534586 /nfs/dbraw/zinc/53/45/86/1250534586.db2.gz QGPQUTXMNAOVRF-SNVBAGLBSA-N 1 0 341.458 2.708 20 5 EFBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850730603 1250583050 /nfs/dbraw/zinc/58/30/50/1250583050.db2.gz UMMLDVGEFHOLBP-UHFFFAOYSA-N 1 0 345.197 2.558 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000922322730 1265534381 /nfs/dbraw/zinc/53/43/81/1265534381.db2.gz HJEAJXSHGLOSAE-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465533 1251021295 /nfs/dbraw/zinc/02/12/95/1251021295.db2.gz JINBAXMZMIRKGU-KRWDZBQOSA-N 1 0 340.379 2.955 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851715410 1251221959 /nfs/dbraw/zinc/22/19/59/1251221959.db2.gz TVFMALVYDZIFNP-IRXDYDNUSA-N 1 0 346.475 2.695 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851715408 1251221978 /nfs/dbraw/zinc/22/19/78/1251221978.db2.gz TVFMALVYDZIFNP-CALCHBBNSA-N 1 0 346.475 2.695 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CC[NH+](C3CC3)CC1)CC2 ZINC000784601069 1252032204 /nfs/dbraw/zinc/03/22/04/1252032204.db2.gz ILZGDCDMQLYMPT-UHFFFAOYSA-N 1 0 329.400 2.667 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107229967 1255431582 /nfs/dbraw/zinc/43/15/82/1255431582.db2.gz QOGHMSVUWNCYRS-UPHRSURJSA-N 1 0 346.431 2.555 20 5 EFBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922428746 1265999292 /nfs/dbraw/zinc/99/92/92/1265999292.db2.gz IREXPJIIJWEJFF-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1F ZINC001127865257 1256796429 /nfs/dbraw/zinc/79/64/29/1256796429.db2.gz DGRXOUDDRYKICF-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1F ZINC001127870055 1256848164 /nfs/dbraw/zinc/84/81/64/1256848164.db2.gz IKLXZCITACMDCS-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(C1CCC1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997464312 1257597169 /nfs/dbraw/zinc/59/71/69/1257597169.db2.gz KRZKEVPHJSBJKR-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CCC1(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[NH2+]C1 ZINC001168583000 1258072174 /nfs/dbraw/zinc/07/21/74/1258072174.db2.gz CIFGMGBRVBQTMD-UHFFFAOYSA-N 1 0 328.372 2.733 20 5 EFBDRO O=C(C1CC=CC1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997637466 1258140213 /nfs/dbraw/zinc/14/02/13/1258140213.db2.gz IUFVSQBVJYUEEK-UHFFFAOYSA-N 1 0 343.427 2.889 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997638636 1258142710 /nfs/dbraw/zinc/14/27/10/1258142710.db2.gz TZSOTEVOTQKRRA-VMPITWQZSA-N 1 0 343.427 2.889 20 5 EFBDRO CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946424397 1258755396 /nfs/dbraw/zinc/75/53/96/1258755396.db2.gz KGPVJGKBWSMOTQ-IYBDPMFKSA-N 1 0 331.416 2.675 20 5 EFBDRO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946487334 1259268072 /nfs/dbraw/zinc/26/80/72/1259268072.db2.gz RCYUOAORCABULA-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO COc1ccc([C@H]2CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000154562153 1266247390 /nfs/dbraw/zinc/24/73/90/1266247390.db2.gz DFGUGJUSMPBRMX-HNNXBMFYSA-N 1 0 330.388 2.864 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091024742 1259518901 /nfs/dbraw/zinc/51/89/01/1259518901.db2.gz KGPYLNKUQVQXAP-ZDUSSCGKSA-N 1 0 335.433 2.884 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000708550639 1259765757 /nfs/dbraw/zinc/76/57/57/1259765757.db2.gz KLZPXGKUTUDSIT-ZDUSSCGKSA-N 1 0 329.194 2.560 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000843822386 1260550808 /nfs/dbraw/zinc/55/08/08/1260550808.db2.gz ROVFVBXVZBMGSU-CYBMUJFWSA-N 1 0 337.395 2.750 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000923314177 1261446960 /nfs/dbraw/zinc/44/69/60/1261446960.db2.gz RNVMPDZEZOTNQW-WDEREUQCSA-N 1 0 341.770 2.696 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Br ZINC000923366966 1261561164 /nfs/dbraw/zinc/56/11/64/1261561164.db2.gz BQWBKRMRCXMJEW-LBPRGKRZSA-N 1 0 330.226 2.820 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001001187227 1261964542 /nfs/dbraw/zinc/96/45/42/1261964542.db2.gz IUHDFCJECPFFEE-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO CC(C)OCCCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168681229 1262440083 /nfs/dbraw/zinc/44/00/83/1262440083.db2.gz QWBLGSFKKHZNEA-UHFFFAOYSA-N 1 0 325.409 2.762 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3COC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000922642912 1266505167 /nfs/dbraw/zinc/50/51/67/1266505167.db2.gz IVTWYUUPLFIYNF-ABAIWWIYSA-N 1 0 332.356 2.988 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824657763 1278221690 /nfs/dbraw/zinc/22/16/90/1278221690.db2.gz FSNIQGFSMFTGJC-XYPHTWIQSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1coc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001003469504 1264791054 /nfs/dbraw/zinc/79/10/54/1264791054.db2.gz UNIOMWQPHNHTHM-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824765048 1278271011 /nfs/dbraw/zinc/27/10/11/1278271011.db2.gz SERNFBVEDFFALL-BPUTZDHNSA-N 1 0 331.416 2.687 20 5 EFBDRO O=[N+]([O-])c1c(NCCc2ccc3ccccc3c2)ncnc1C1C[NH2+]C1 ZINC001168733716 1266696237 /nfs/dbraw/zinc/69/62/37/1266696237.db2.gz NRPYAKRJUCYORE-UHFFFAOYSA-N 1 0 349.394 2.879 20 5 EFBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738082232 1268321004 /nfs/dbraw/zinc/32/10/04/1268321004.db2.gz PKSCGBCFVOLHHQ-AWEZNQCLSA-N 1 0 330.388 2.774 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000738224219 1268408492 /nfs/dbraw/zinc/40/84/92/1268408492.db2.gz LWADJVKDWQZWID-NSHDSACASA-N 1 0 336.417 2.713 20 5 EFBDRO CN(C(=O)C(C)(F)F)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005030570 1268429787 /nfs/dbraw/zinc/42/97/87/1268429787.db2.gz JVVSPPNJVYWUKE-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO CN(C(=O)C(C)(F)F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005030831 1268430552 /nfs/dbraw/zinc/43/05/52/1268430552.db2.gz MIYWVPBNKVZMSX-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000740001062 1268787965 /nfs/dbraw/zinc/78/79/65/1268787965.db2.gz DMBJUERKPXVLTN-CQSZACIVSA-N 1 0 332.791 2.994 20 5 EFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000740001061 1268787980 /nfs/dbraw/zinc/78/79/80/1268787980.db2.gz DMBJUERKPXVLTN-AWEZNQCLSA-N 1 0 332.791 2.994 20 5 EFBDRO CSc1nc(Cl)nc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155117357 1269292509 /nfs/dbraw/zinc/29/25/09/1269292509.db2.gz POXKXVYXAJFEBY-LBPRGKRZSA-N 1 0 349.819 2.654 20 5 EFBDRO CN(CCOC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741244847 1269427806 /nfs/dbraw/zinc/42/78/06/1269427806.db2.gz KMMNJPXSJASVNF-AWEZNQCLSA-N 1 0 328.796 2.876 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086028955 1269586104 /nfs/dbraw/zinc/58/61/04/1269586104.db2.gz MSYHYTBAGZGYMO-OTVXOJSOSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC001086048781 1269675419 /nfs/dbraw/zinc/67/54/19/1269675419.db2.gz RUMHJHGUJPQUBJ-VDISTLRHSA-N 1 0 335.429 2.607 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC=CC1 ZINC001086048825 1269675543 /nfs/dbraw/zinc/67/55/43/1269675543.db2.gz UEVXAEZMBWBHQV-AKAXFMLLSA-N 1 0 329.400 2.545 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741752267 1269687262 /nfs/dbraw/zinc/68/72/62/1269687262.db2.gz NXANQBSHHCIMFO-MWLCHTKSSA-N 1 0 326.784 2.852 20 5 EFBDRO Cc1c(C(=O)N2CCC(N(C)CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000742235393 1269946683 /nfs/dbraw/zinc/94/66/83/1269946683.db2.gz GRHVUMAGWMGGLN-UHFFFAOYSA-N 1 0 341.358 2.705 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000742392343 1270021141 /nfs/dbraw/zinc/02/11/41/1270021141.db2.gz IYJCSKCDVOLRSA-HNNXBMFYSA-N 1 0 335.404 2.659 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086172287 1270341283 /nfs/dbraw/zinc/34/12/83/1270341283.db2.gz SDWFDFDATIZVAH-ZOGDPKMRSA-N 1 0 343.427 2.625 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC001086297450 1270869078 /nfs/dbraw/zinc/86/90/78/1270869078.db2.gz GFJMNLTUIABMRO-HDJSIYSDSA-N 1 0 345.424 2.955 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001086303303 1270907921 /nfs/dbraw/zinc/90/79/21/1270907921.db2.gz YOAXUVBEJHZRNU-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCc1ccccn1 ZINC000744389840 1271005807 /nfs/dbraw/zinc/00/58/07/1271005807.db2.gz MWJLHKVPDAQDKW-UHFFFAOYSA-N 1 0 345.399 2.942 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000843873759 1278608529 /nfs/dbraw/zinc/60/85/29/1278608529.db2.gz SCGJNTRUQFOWLD-AWEZNQCLSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000843854496 1278611098 /nfs/dbraw/zinc/61/10/98/1278611098.db2.gz SFOUIPQAQVKHDH-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000843901801 1278623893 /nfs/dbraw/zinc/62/38/93/1278623893.db2.gz PREYLXPJGVDLJS-UHFFFAOYSA-N 1 0 335.379 2.789 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086448672 1271526075 /nfs/dbraw/zinc/52/60/75/1271526075.db2.gz OOSPZKAUOZPTAK-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000843892853 1278640362 /nfs/dbraw/zinc/64/03/62/1278640362.db2.gz HPVKAGBJQKPPKI-LBPRGKRZSA-N 1 0 349.406 2.989 20 5 EFBDRO COc1ncc([N+](=O)[O-])cc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171095838 1278647980 /nfs/dbraw/zinc/64/79/80/1278647980.db2.gz UJRGVBQCSUCVDN-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745843775 1271641253 /nfs/dbraw/zinc/64/12/53/1271641253.db2.gz RKZRPHORCPXITQ-UHFFFAOYSA-N 1 0 347.346 2.813 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CC2)C1 ZINC001086473871 1271676768 /nfs/dbraw/zinc/67/67/68/1271676768.db2.gz ADJSCBXVPQJNFT-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746049933 1271744881 /nfs/dbraw/zinc/74/48/81/1271744881.db2.gz YHAKMGHNCUFSST-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1(C)C ZINC000234316916 1272095905 /nfs/dbraw/zinc/09/59/05/1272095905.db2.gz HXDAKUFLHRKBBZ-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO CC(C)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034575338 1272319551 /nfs/dbraw/zinc/31/95/51/1272319551.db2.gz HLMZEYLDYGLKQQ-HDJSIYSDSA-N 1 0 337.395 2.860 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001034591711 1272340323 /nfs/dbraw/zinc/34/03/23/1272340323.db2.gz GSZRWZKZOPSJFF-SHTZXODSSA-N 1 0 342.399 2.754 20 5 EFBDRO [NH3+][C@H]1CCc2nn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2C1 ZINC001168815458 1272420481 /nfs/dbraw/zinc/42/04/81/1272420481.db2.gz GLRLZTRGVWHNEO-VIFPVBQESA-N 1 0 326.278 2.615 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1cc[nH]c1 ZINC001034650133 1272437770 /nfs/dbraw/zinc/43/77/70/1272437770.db2.gz BJFOZDNSCAXEOW-HDJSIYSDSA-N 1 0 348.428 2.815 20 5 EFBDRO CCOC(=O)c1ccc(-n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001168848726 1272458670 /nfs/dbraw/zinc/45/86/70/1272458670.db2.gz WOJOBLIESQWXAB-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168979902 1272550097 /nfs/dbraw/zinc/55/00/97/1272550097.db2.gz CAYCLEKZZHXVBU-KGLIPLIRSA-N 1 0 341.452 2.859 20 5 EFBDRO C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168956368 1272554970 /nfs/dbraw/zinc/55/49/70/1272554970.db2.gz DSPJVWPQQBJCKY-UONOGXRCSA-N 1 0 341.477 2.609 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC001168961541 1272556395 /nfs/dbraw/zinc/55/63/95/1272556395.db2.gz IUVPBBBQBIJODC-LERXQTSPSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964779 1272557669 /nfs/dbraw/zinc/55/76/69/1272557669.db2.gz WCGVYVRMQOBCNP-UONOGXRCSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965301 1272557926 /nfs/dbraw/zinc/55/79/26/1272557926.db2.gz ZKJGHVOIUHTHDZ-ILXRZTDVSA-N 1 0 341.452 2.811 20 5 EFBDRO O=C1CCC2(CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001168965075 1272558224 /nfs/dbraw/zinc/55/82/24/1272558224.db2.gz XULRJXWUQUOGOV-FXQQTDPRSA-N 1 0 349.475 2.735 20 5 EFBDRO COc1ccccc1CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965520 1272559961 /nfs/dbraw/zinc/55/99/61/1272559961.db2.gz AJUWFPVCPJNZIQ-CRAIPNDOSA-N 1 0 347.459 2.695 20 5 EFBDRO CN(CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168973972 1272565366 /nfs/dbraw/zinc/56/53/66/1272565366.db2.gz PRSPKRYIOCSKQQ-ZIAGYGMSSA-N 1 0 329.441 2.669 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001168992030 1272569477 /nfs/dbraw/zinc/56/94/77/1272569477.db2.gz JARSAEHTJYYMKA-XIRDDKMYSA-N 1 0 337.851 2.949 20 5 EFBDRO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997079 1272572886 /nfs/dbraw/zinc/57/28/86/1272572886.db2.gz XMKHICKBVMYADI-CHWSQXEVSA-N 1 0 329.441 2.715 20 5 EFBDRO [NH3+]Cc1cc(Br)ccc1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997135 1272573470 /nfs/dbraw/zinc/57/34/70/1272573470.db2.gz BSJZPUGQQZXYFS-JOYOIKCWSA-N 1 0 328.210 2.765 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3cccc(F)c3)cn2)C1 ZINC001168998413 1272574899 /nfs/dbraw/zinc/57/48/99/1272574899.db2.gz MQWXEYFDHKNANP-HOCLYGCPSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998555 1272575681 /nfs/dbraw/zinc/57/56/81/1272575681.db2.gz OOMKNTCPGKNMJT-GDBMZVCRSA-N 1 0 334.416 2.736 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169000772 1272576203 /nfs/dbraw/zinc/57/62/03/1272576203.db2.gz BQVJSKXETJSKPZ-MJEQTWJJSA-N 1 0 332.400 2.886 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC001169000352 1272576564 /nfs/dbraw/zinc/57/65/64/1272576564.db2.gz XQJIKYGYLQKGJK-DOTOQJQBSA-N 1 0 336.407 2.952 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2COc3ccc(Br)cc32)C1 ZINC001169004974 1272578858 /nfs/dbraw/zinc/57/88/58/1272578858.db2.gz SYTLTLWYNRVFMW-NDMJEZRESA-N 1 0 341.205 2.918 20 5 EFBDRO CCN(CC)C(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169005428 1272578957 /nfs/dbraw/zinc/57/89/57/1272578957.db2.gz UHRVAMATMIZVIC-FUHWJXTLSA-N 1 0 347.459 2.746 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006761 1272581742 /nfs/dbraw/zinc/58/17/42/1272581742.db2.gz YVIJWYVUBFYJOO-ILXRZTDVSA-N 1 0 343.468 2.961 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3nsc4ccccc43)CC2)C1 ZINC001169010655 1272583431 /nfs/dbraw/zinc/58/34/31/1272583431.db2.gz FGMOSTOCFCORQV-ZIAGYGMSSA-N 1 0 346.456 2.864 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169012322 1272584683 /nfs/dbraw/zinc/58/46/83/1272584683.db2.gz PBFGQPLAOQRGMU-RBSFLKMASA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC12C[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011038 1272585738 /nfs/dbraw/zinc/58/57/38/1272585738.db2.gz HMKABMACXWTCIO-ZIAGYGMSSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011105 1272585856 /nfs/dbraw/zinc/58/58/56/1272585856.db2.gz IKOUXZVCGILBED-QPSCCSFWSA-N 1 0 339.436 2.516 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1Br ZINC001168986767 1272588543 /nfs/dbraw/zinc/58/85/43/1272588543.db2.gz ZBGHMRXIIIHRQY-NWDGAFQWSA-N 1 0 343.221 2.993 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169028417 1272591453 /nfs/dbraw/zinc/59/14/53/1272591453.db2.gz RYEJZPHRRUPMCI-HOCLYGCPSA-N 1 0 337.851 2.903 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)C1 ZINC001169027870 1272592477 /nfs/dbraw/zinc/59/24/77/1272592477.db2.gz RJAJPEJHKHBQGV-XBFCOCLRSA-N 1 0 326.343 2.863 20 5 EFBDRO Cc1cnc(C[NH3+])n1-c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001169029161 1272593701 /nfs/dbraw/zinc/59/37/01/1272593701.db2.gz MIKTYALPEFWQSJ-UHFFFAOYSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169030270 1272593878 /nfs/dbraw/zinc/59/38/78/1272593878.db2.gz XQZFYEMGPBXFCF-RVKKMQEKSA-N 1 0 334.416 2.984 20 5 EFBDRO CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169033679 1272596323 /nfs/dbraw/zinc/59/63/23/1272596323.db2.gz DIIGLKYMBZXLGG-YPMHNXCESA-N 1 0 338.429 2.728 20 5 EFBDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033231 1272597398 /nfs/dbraw/zinc/59/73/98/1272597398.db2.gz BLVFFQGSEAYJDF-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO O=c1oc2ccccc2n1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035601 1272598313 /nfs/dbraw/zinc/59/83/13/1272598313.db2.gz KUSXCSHKTKWULM-DZGCQCFKSA-N 1 0 345.399 2.677 20 5 EFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035615 1272598784 /nfs/dbraw/zinc/59/87/84/1272598784.db2.gz KVBIOLSXZWWMGO-AVGNSLFASA-N 1 0 338.477 2.504 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035626 1272598854 /nfs/dbraw/zinc/59/88/54/1272598854.db2.gz KWZDCEVOPLNIPT-ZIAGYGMSSA-N 1 0 341.452 2.811 20 5 EFBDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035494 1272598876 /nfs/dbraw/zinc/59/88/76/1272598876.db2.gz BLVFFQGSEAYJDF-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035491 1272599009 /nfs/dbraw/zinc/59/90/09/1272599009.db2.gz BLVFFQGSEAYJDF-ILXRZTDVSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169036448 1272600340 /nfs/dbraw/zinc/60/03/40/1272600340.db2.gz OLWSKCASRLIRTP-KBPBESRZSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037529 1272603235 /nfs/dbraw/zinc/60/32/35/1272603235.db2.gz SBTGRBMTJJPTCE-RBSFLKMASA-N 1 0 341.452 2.811 20 5 EFBDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036980 1272603372 /nfs/dbraw/zinc/60/33/72/1272603372.db2.gz HTJRMFYOHCZOPC-CFVMTHIKSA-N 1 0 334.416 2.721 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3nccc4ccccc43)CC2)C1 ZINC001169038002 1272605553 /nfs/dbraw/zinc/60/55/53/1272605553.db2.gz UZQNFJNFJIMXPR-RDJZCZTQSA-N 1 0 340.427 2.802 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC001169038952 1272606336 /nfs/dbraw/zinc/60/63/36/1272606336.db2.gz LTTRNYRBXRUYQD-OXQOHEQNSA-N 1 0 343.471 2.955 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3nccc4ccccc43)CC2)C1 ZINC001169038003 1272606594 /nfs/dbraw/zinc/60/65/94/1272606594.db2.gz UZQNFJNFJIMXPR-WBVHZDCISA-N 1 0 340.427 2.802 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001169038340 1272606800 /nfs/dbraw/zinc/60/68/00/1272606800.db2.gz YFWCXCGOZZCOIW-LSDHHAIUSA-N 1 0 328.416 2.669 20 5 EFBDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039841 1272608294 /nfs/dbraw/zinc/60/82/94/1272608294.db2.gz UREZACGSHHJFJE-ZIAGYGMSSA-N 1 0 329.441 2.667 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001169045638 1272611876 /nfs/dbraw/zinc/61/18/76/1272611876.db2.gz JPCDSXIQSOUJHF-AKHDSKFASA-N 1 0 329.444 2.638 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041601 1272612844 /nfs/dbraw/zinc/61/28/44/1272612844.db2.gz BLEHFJISZGPSGN-KBXIAJHMSA-N 1 0 339.436 2.516 20 5 EFBDRO O=C(C1CCCCC1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169045624 1272613348 /nfs/dbraw/zinc/61/33/48/1272613348.db2.gz JOPZPUFUXKLVAL-NVXWUHKLSA-N 1 0 337.464 2.546 20 5 EFBDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043604 1272615317 /nfs/dbraw/zinc/61/53/17/1272615317.db2.gz HEPGLBSBBRQVEQ-ZIAGYGMSSA-N 1 0 329.441 2.621 20 5 EFBDRO C[N@H+](Cc1cncc(Br)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025323 1272621866 /nfs/dbraw/zinc/62/18/66/1272621866.db2.gz YQBDYPCTVANBHS-GXFFZTMASA-N 1 0 328.210 2.721 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)C1 ZINC001169026471 1272623652 /nfs/dbraw/zinc/62/36/52/1272623652.db2.gz XHEBHIIZFCHCFS-UKRRQHHQSA-N 1 0 342.399 2.583 20 5 EFBDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047056 1272624872 /nfs/dbraw/zinc/62/48/72/1272624872.db2.gz QNMHAMKUHPJIAS-ZACQAIPSSA-N 1 0 338.448 2.877 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001169050486 1272628294 /nfs/dbraw/zinc/62/82/94/1272628294.db2.gz ZVHDGZCATHDUCE-UONOGXRCSA-N 1 0 339.386 2.528 20 5 EFBDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055347 1272632662 /nfs/dbraw/zinc/63/26/62/1272632662.db2.gz PTWCYBJSIIKBJN-HYVNUMGLSA-N 1 0 343.427 2.552 20 5 EFBDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055346 1272632706 /nfs/dbraw/zinc/63/27/06/1272632706.db2.gz PTWCYBJSIIKBJN-DJIMGWMZSA-N 1 0 343.427 2.552 20 5 EFBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C[C@](C)(C[NH3+])C1 ZINC001169151950 1272713281 /nfs/dbraw/zinc/71/32/81/1272713281.db2.gz NQHJVJFBQJLXNY-WBMJQRKESA-N 1 0 332.408 2.593 20 5 EFBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001169189475 1272731156 /nfs/dbraw/zinc/73/11/56/1272731156.db2.gz VPXFLBFMJFGJCD-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO Cc1cc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001169235269 1272742042 /nfs/dbraw/zinc/74/20/42/1272742042.db2.gz UWNHKSMQVRCSGD-MRVPVSSYSA-N 1 0 325.166 2.871 20 5 EFBDRO Cc1ccnc(CCNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)c1 ZINC001169319919 1272803559 /nfs/dbraw/zinc/80/35/59/1272803559.db2.gz LDAUMRKJYRTXAC-UHFFFAOYSA-N 1 0 344.415 2.893 20 5 EFBDRO COc1ncc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169686251 1273091114 /nfs/dbraw/zinc/09/11/14/1273091114.db2.gz WZTYHHZISHNSDK-LBPRGKRZSA-N 1 0 329.360 2.634 20 5 EFBDRO [NH3+]CCc1cn(-c2ccnc3c2cccc3[N+](=O)[O-])c2cccnc12 ZINC001169708946 1273111464 /nfs/dbraw/zinc/11/14/64/1273111464.db2.gz IGRIFSKOGJKOQR-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3cnccc3c2[N+](=O)[O-])c2cccnc12 ZINC001169711359 1273113369 /nfs/dbraw/zinc/11/33/69/1273113369.db2.gz WIHFHLZNZZUMOS-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C[NH3+])c1ccccc1)CC2 ZINC000844160940 1278791232 /nfs/dbraw/zinc/79/12/32/1278791232.db2.gz OPIJXWVHHDODIK-HNNXBMFYSA-N 1 0 325.368 2.535 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c(o1)CCCC2 ZINC001129186491 1274165067 /nfs/dbraw/zinc/16/50/67/1274165067.db2.gz GOKLOVSZQSAVRA-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO CC1CC[NH+](CC(=O)N(C)CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC001109498819 1274354669 /nfs/dbraw/zinc/35/46/69/1274354669.db2.gz RDCCWTXKAWWTPW-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001109520811 1274377603 /nfs/dbraw/zinc/37/76/03/1274377603.db2.gz MUUWCDUEFKBZAP-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO COc1ccc(COC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000792565844 1278875529 /nfs/dbraw/zinc/87/55/29/1278875529.db2.gz SCZUVMAFESHIPA-UHFFFAOYSA-N 1 0 327.296 2.608 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3ncnc4cc5ccccc5cc43)c2c1 ZINC001170021950 1274651228 /nfs/dbraw/zinc/65/12/28/1274651228.db2.gz IUGIEXSWRWBEKL-UHFFFAOYSA-N 1 0 326.363 2.976 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])c2c1 ZINC001170023377 1274674446 /nfs/dbraw/zinc/67/44/46/1274674446.db2.gz GTRXQRSICKHTMY-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000785725858 1275157741 /nfs/dbraw/zinc/15/77/41/1275157741.db2.gz BOEHINOJMCYDEN-ZIAGYGMSSA-N 1 0 336.388 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000786832878 1275537463 /nfs/dbraw/zinc/53/74/63/1275537463.db2.gz SNJCZYJRKIRPIZ-DOTOQJQBSA-N 1 0 328.368 2.612 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000786812966 1275550397 /nfs/dbraw/zinc/55/03/97/1275550397.db2.gz MXDWJVDQUKRVHM-CTXBLAANSA-N 1 0 333.388 2.819 20 5 EFBDRO CCn1cc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000844417102 1278965609 /nfs/dbraw/zinc/96/56/09/1278965609.db2.gz JVCXUOLUMUITPU-KRWDZBQOSA-N 1 0 332.404 2.755 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000787418732 1275769426 /nfs/dbraw/zinc/76/94/26/1275769426.db2.gz QNBZYWJLLMLRSS-LCYFTJDESA-N 1 0 331.372 2.573 20 5 EFBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000746682478 1275781964 /nfs/dbraw/zinc/78/19/64/1275781964.db2.gz NKLISOVQVFICHH-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO COc1ccc(C[C@@H](C)N(C)c2nc(C[NH3+])ccc2C)c([N+](=O)[O-])c1 ZINC001170294599 1278978709 /nfs/dbraw/zinc/97/87/09/1278978709.db2.gz BSGVJKFNFYGIDY-CYBMUJFWSA-N 1 0 344.415 2.833 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295652 1278978741 /nfs/dbraw/zinc/97/87/41/1278978741.db2.gz DCJZTPVBAUPKNT-CQSZACIVSA-N 1 0 349.431 2.527 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170295193 1278978811 /nfs/dbraw/zinc/97/88/11/1278978811.db2.gz AVRKJDBQRWMYCV-YXKWSERDSA-N 1 0 342.395 2.782 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297553 1278980731 /nfs/dbraw/zinc/98/07/31/1278980731.db2.gz PECMPLQKAWJSGM-RHSMWYFYSA-N 1 0 344.411 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170300099 1278982183 /nfs/dbraw/zinc/98/21/83/1278982183.db2.gz WXXNIGOLDDITKC-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1ccc(C[C@@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001170299752 1278983599 /nfs/dbraw/zinc/98/35/99/1278983599.db2.gz WCHIXYVZZHVCSK-CJNGLKHVSA-N 1 0 341.411 2.924 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157265270 1275859765 /nfs/dbraw/zinc/85/97/65/1275859765.db2.gz IKOVYZXZWQTZJE-KWQFWETISA-N 1 0 331.203 2.827 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170304722 1278990725 /nfs/dbraw/zinc/99/07/25/1278990725.db2.gz GGWVSMZYKFQPNE-KPZWWZAWSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)N(C(N)=[NH2+])c2ccccc2)c([N+](=O)[O-])c1 ZINC001170305318 1278991450 /nfs/dbraw/zinc/99/14/50/1278991450.db2.gz JCGHMBMPKWFBPK-GFCCVEGCSA-N 1 0 328.372 2.934 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277881 1278992929 /nfs/dbraw/zinc/99/29/29/1278992929.db2.gz UETYWNABUPMGMB-CPUCHLNUSA-N 1 0 337.420 2.657 20 5 EFBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787981654 1276005198 /nfs/dbraw/zinc/00/51/98/1276005198.db2.gz CSNKQPUUEOHECG-UHFFFAOYSA-N 1 0 347.415 2.838 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC001170310459 1279006795 /nfs/dbraw/zinc/00/67/95/1279006795.db2.gz WLMXSSBVYJQQOK-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170312704 1279007793 /nfs/dbraw/zinc/00/77/93/1279007793.db2.gz GVWPWPVZMSXENG-NSHDSACASA-N 1 0 341.371 2.611 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170312984 1279008550 /nfs/dbraw/zinc/00/85/50/1279008550.db2.gz HODFPMVFTORRLQ-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC001170318349 1279011830 /nfs/dbraw/zinc/01/18/30/1279011830.db2.gz PKKCIRNEZNXUFK-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170318326 1279011913 /nfs/dbraw/zinc/01/19/13/1279011913.db2.gz PAWFKDXSFNOZPW-UKRRQHHQSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC001170318352 1279012532 /nfs/dbraw/zinc/01/25/32/1279012532.db2.gz PKKCIRNEZNXUFK-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCCC(OC)OC)c([N+](=O)[O-])c1 ZINC001170319225 1279013560 /nfs/dbraw/zinc/01/35/60/1279013560.db2.gz VNEKFFAWKQYJPK-LBPRGKRZSA-N 1 0 326.393 2.523 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170326454 1279017607 /nfs/dbraw/zinc/01/76/07/1279017607.db2.gz JXHLHSIIBUDAAV-GFCCVEGCSA-N 1 0 344.367 2.713 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001170325809 1279017822 /nfs/dbraw/zinc/01/78/22/1279017822.db2.gz AEMITIPMWVHZEW-JTQLQIEISA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001170325811 1279017989 /nfs/dbraw/zinc/01/79/89/1279017989.db2.gz AEMITIPMWVHZEW-SNVBAGLBSA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2COc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326427 1279018386 /nfs/dbraw/zinc/01/83/86/1279018386.db2.gz JMWROIHCPORCKD-TZMCWYRMSA-N 1 0 343.383 2.695 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3nccn3c2)c([N+](=O)[O-])c1 ZINC001170329256 1279020092 /nfs/dbraw/zinc/02/00/92/1279020092.db2.gz YLACHUKJBQXTIU-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO CCc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000788817421 1276335996 /nfs/dbraw/zinc/33/59/96/1276335996.db2.gz ZXHVAAJNVIPFTB-MSOLQXFVSA-N 1 0 330.384 2.514 20 5 EFBDRO CC(C)c1[nH]nc(-c2nc(-c3ccc(C[NH3+])cc3F)no2)c1[N+](=O)[O-] ZINC000817864535 1276350839 /nfs/dbraw/zinc/35/08/39/1276350839.db2.gz KZRICPVOQHLAOA-UHFFFAOYSA-N 1 0 346.322 2.756 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1Br ZINC000817865525 1276351901 /nfs/dbraw/zinc/35/19/01/1276351901.db2.gz KLEJUZIFJXJHIL-UHFFFAOYSA-N 1 0 340.221 2.685 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@H]2CCOC2)o1 ZINC000922939491 1276365513 /nfs/dbraw/zinc/36/55/13/1276365513.db2.gz PTCLSGMMIHYVDL-AWEZNQCLSA-N 1 0 332.356 2.750 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](O)(CF)CC2)c([N+](=O)[O-])c1 ZINC001170329603 1279021527 /nfs/dbraw/zinc/02/15/27/1279021527.db2.gz SGUKJCIBBXQTHA-DYVFJYSZSA-N 1 0 340.395 2.721 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352354 1279032119 /nfs/dbraw/zinc/03/21/19/1279032119.db2.gz MHCBPRLSLRGZJV-HOCLYGCPSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355308 1279034261 /nfs/dbraw/zinc/03/42/61/1279034261.db2.gz ZJKKMWOYSNNSPY-JCKWVBRZSA-N 1 0 333.432 2.560 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355056 1279035042 /nfs/dbraw/zinc/03/50/42/1279035042.db2.gz VMDVAMMFUCNQCA-GDBMZVCRSA-N 1 0 335.448 2.949 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355867 1279036495 /nfs/dbraw/zinc/03/64/95/1279036495.db2.gz RROIUIGHFWPIDP-NOLJZWGESA-N 1 0 332.400 2.835 20 5 EFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145400 1276490253 /nfs/dbraw/zinc/49/02/53/1276490253.db2.gz FXOXPIYOZYCWOH-KGLIPLIRSA-N 1 0 325.453 2.591 20 5 EFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000818529750 1276526299 /nfs/dbraw/zinc/52/62/99/1276526299.db2.gz PXAGEOSODVBBLE-UHFFFAOYSA-N 1 0 345.321 2.956 20 5 EFBDRO Cc1ccc(NCCCNC(=O)c2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000818465819 1276527331 /nfs/dbraw/zinc/52/73/31/1276527331.db2.gz LTBZKQVHNQIFHF-UHFFFAOYSA-N 1 0 342.399 2.594 20 5 EFBDRO CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000818544999 1276532466 /nfs/dbraw/zinc/53/24/66/1276532466.db2.gz YGINBODDBVWBDI-NSHDSACASA-N 1 0 343.786 2.530 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818560481 1276534765 /nfs/dbraw/zinc/53/47/65/1276534765.db2.gz WKDYTIVZTKQPIY-NOZJJQNGSA-N 1 0 343.786 2.658 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC000818565341 1276534952 /nfs/dbraw/zinc/53/49/52/1276534952.db2.gz WWCUQINKPZIBQD-LLVKDONJSA-N 1 0 346.774 2.712 20 5 EFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818961850 1276550504 /nfs/dbraw/zinc/55/05/04/1276550504.db2.gz VUJYDGRKKHZRAQ-KRWDZBQOSA-N 1 0 330.384 2.914 20 5 EFBDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962690 1276551559 /nfs/dbraw/zinc/55/15/59/1276551559.db2.gz VKGCBJHMIHJFGF-QGZVFWFLSA-N 1 0 344.415 2.659 20 5 EFBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818984079 1276563490 /nfs/dbraw/zinc/56/34/90/1276563490.db2.gz WBHVAEQRGUEQES-LIRRHRJNSA-N 1 0 341.411 2.669 20 5 EFBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818990156 1276564724 /nfs/dbraw/zinc/56/47/24/1276564724.db2.gz GGVBLMLBRRBMDD-ZWKOTPCHSA-N 1 0 335.448 2.872 20 5 EFBDRO CCCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818990154 1276564976 /nfs/dbraw/zinc/56/49/76/1276564976.db2.gz GGVBLMLBRRBMDD-QZTJIDSGSA-N 1 0 335.448 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000819008178 1276570585 /nfs/dbraw/zinc/57/05/85/1276570585.db2.gz NEDFJHGQAKNOIX-MRXNPFEDSA-N 1 0 344.367 2.579 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000818968706 1276572869 /nfs/dbraw/zinc/57/28/69/1276572869.db2.gz FONGCAMFKJFUNX-QZTJIDSGSA-N 1 0 347.390 2.660 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000819048653 1276581555 /nfs/dbraw/zinc/58/15/55/1276581555.db2.gz OEPNFPFMYHBXNH-HOTGVXAUSA-N 1 0 332.331 2.881 20 5 EFBDRO C[C@H](O)C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819155799 1276633883 /nfs/dbraw/zinc/63/38/83/1276633883.db2.gz RUDNFILKKRDDQE-YJLNNSPDSA-N 1 0 344.411 2.773 20 5 EFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819116251 1276638229 /nfs/dbraw/zinc/63/82/29/1276638229.db2.gz VAWPPRFEIVFULL-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(C)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819171933 1276654136 /nfs/dbraw/zinc/65/41/36/1276654136.db2.gz RRIGVNXGLSMBNZ-OAHLLOKOSA-N 1 0 330.384 2.741 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819182079 1276661184 /nfs/dbraw/zinc/66/11/84/1276661184.db2.gz HQLVBZQNOJYVFV-CRAIPNDOSA-N 1 0 335.448 2.586 20 5 EFBDRO CC(C)Oc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819186114 1276664660 /nfs/dbraw/zinc/66/46/60/1276664660.db2.gz PISDQUMOPOWPOO-INIZCTEOSA-N 1 0 331.372 2.600 20 5 EFBDRO CCCCn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000819204824 1276676906 /nfs/dbraw/zinc/67/69/06/1276676906.db2.gz FNGVBRVIGRCLDM-KRWDZBQOSA-N 1 0 332.404 2.723 20 5 EFBDRO Cc1ccc2c(c1)nc(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)n2C ZINC000819236615 1276678054 /nfs/dbraw/zinc/67/80/54/1276678054.db2.gz LFEUZDLNYXDMRP-QGZVFWFLSA-N 1 0 340.383 2.613 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000819236358 1276679229 /nfs/dbraw/zinc/67/92/29/1276679229.db2.gz GVUUNWCJCLNWQI-ZOCIIQOWSA-N 1 0 343.427 2.909 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000819236354 1276679275 /nfs/dbraw/zinc/67/92/75/1276679275.db2.gz GVUUNWCJCLNWQI-JVPBZIDWSA-N 1 0 343.427 2.909 20 5 EFBDRO CC(C)(O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819241276 1276680014 /nfs/dbraw/zinc/68/00/14/1276680014.db2.gz MYIRETNIARXERN-KRWDZBQOSA-N 1 0 330.384 2.645 20 5 EFBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819324190 1276726903 /nfs/dbraw/zinc/72/69/03/1276726903.db2.gz VPFBSPOLZOEAOQ-DOTOQJQBSA-N 1 0 328.368 2.530 20 5 EFBDRO Cc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819324191 1276727140 /nfs/dbraw/zinc/72/71/40/1276727140.db2.gz VPFBSPOLZOEAOQ-NVXWUHKLSA-N 1 0 328.368 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000819327770 1276730078 /nfs/dbraw/zinc/73/00/78/1276730078.db2.gz IANYPTTUDTUXJW-KSSFIOAISA-N 1 0 345.374 2.636 20 5 EFBDRO CO[C@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819345979 1276735455 /nfs/dbraw/zinc/73/54/55/1276735455.db2.gz RIPVCIBIAKAUOD-ZWKOTPCHSA-N 1 0 330.384 2.780 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789454549 1276738109 /nfs/dbraw/zinc/73/81/09/1276738109.db2.gz AWZKMNWDVAJHDQ-RTBURBONSA-N 1 0 344.411 2.818 20 5 EFBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819352367 1276740650 /nfs/dbraw/zinc/74/06/50/1276740650.db2.gz MULVPUYUIBPOIP-RCCFBDPRSA-N 1 0 328.368 2.783 20 5 EFBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000819323272 1276747372 /nfs/dbraw/zinc/74/73/72/1276747372.db2.gz YTGWGPGDIROBJR-DOTOQJQBSA-N 1 0 348.424 2.767 20 5 EFBDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819362003 1276755385 /nfs/dbraw/zinc/75/53/85/1276755385.db2.gz SIDXBYBNFUTWCL-SGTLLEGYSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CCOCC4)CC3)c2c1 ZINC000789529082 1276785862 /nfs/dbraw/zinc/78/58/62/1276785862.db2.gz KDNFSWHKOOPLIC-UHFFFAOYSA-N 1 0 330.388 2.795 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000923125239 1276876578 /nfs/dbraw/zinc/87/65/78/1276876578.db2.gz AUCXPPZNZGQNRO-XOKHGSTOSA-N 1 0 346.431 2.972 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820609692 1277242563 /nfs/dbraw/zinc/24/25/63/1277242563.db2.gz SCAXUNLUPBVPIE-AOIWGVFYSA-N 1 0 343.427 2.643 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820609693 1277242635 /nfs/dbraw/zinc/24/26/35/1277242635.db2.gz SCAXUNLUPBVPIE-LMMKCTJWSA-N 1 0 343.427 2.643 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2cccs2)c([N+](=O)[O-])c1 ZINC001170306475 1279028378 /nfs/dbraw/zinc/02/83/78/1279028378.db2.gz VVTZTHWTEDWYBG-SMDDNHRTSA-N 1 0 336.413 2.919 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2N(C)C)c([N+](=O)[O-])c1 ZINC001170306628 1279028452 /nfs/dbraw/zinc/02/84/52/1279028452.db2.gz YZDKCBVCTBMOOJ-COXVUDFISA-N 1 0 335.448 2.997 20 5 EFBDRO COc1ccnc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170306725 1279029236 /nfs/dbraw/zinc/02/92/36/1279029236.db2.gz AWWVSFNJFGIFFF-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO C[N@H+](CCCO)C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000820665102 1277270850 /nfs/dbraw/zinc/27/08/50/1277270850.db2.gz USBVFNFAEPSZSA-UHFFFAOYSA-N 1 0 343.374 2.815 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC001170307842 1279029876 /nfs/dbraw/zinc/02/98/76/1279029876.db2.gz ISISHTOUMRPSJX-ZDUSSCGKSA-N 1 0 330.384 2.817 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000820670621 1277272286 /nfs/dbraw/zinc/27/22/86/1277272286.db2.gz STVLJUZXXGMZKC-UHFFFAOYSA-N 1 0 341.358 2.833 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874912 1277354560 /nfs/dbraw/zinc/35/45/60/1277354560.db2.gz VASLPZIQHSDXLY-MORSLUCNSA-N 1 0 343.427 2.641 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000821031932 1277406306 /nfs/dbraw/zinc/40/63/06/1277406306.db2.gz XSIIBVSNGFJGPD-ZIFCJYIRSA-N 1 0 343.427 2.643 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000923265499 1277413570 /nfs/dbraw/zinc/41/35/70/1277413570.db2.gz KIASDACJBMLPFG-NWDGAFQWSA-N 1 0 337.807 2.865 20 5 EFBDRO C[C@](C[NH3+])(NCc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000923296028 1277524291 /nfs/dbraw/zinc/52/42/91/1277524291.db2.gz NGDZMQIMRLBUDL-CYBMUJFWSA-N 1 0 328.210 2.574 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NCc1cc([N+](=O)[O-])ccc1Br ZINC000923295877 1277524647 /nfs/dbraw/zinc/52/46/47/1277524647.db2.gz JLTBXWAQCATKKI-CYBMUJFWSA-N 1 0 330.226 2.820 20 5 EFBDRO Cc1c(C[NH2+][C@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000790543308 1277655307 /nfs/dbraw/zinc/65/53/07/1277655307.db2.gz OMLGNWQRJAFQMA-CQSZACIVSA-N 1 0 327.384 2.698 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cccc1[N+](=O)[O-] ZINC000790543779 1277656748 /nfs/dbraw/zinc/65/67/48/1277656748.db2.gz RTUKONJWSNRWRW-OAHLLOKOSA-N 1 0 343.358 2.937 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000790584174 1277662272 /nfs/dbraw/zinc/66/22/72/1277662272.db2.gz QWVRLRBWCVIHTR-BSDKJSHOSA-N 1 0 331.416 2.845 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871793525 1287292017 /nfs/dbraw/zinc/29/20/17/1287292017.db2.gz UNMLMSUHQQXVSW-YOGCLGLASA-N 1 0 343.387 2.709 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790781246 1277770165 /nfs/dbraw/zinc/77/01/65/1277770165.db2.gz SXVBMZGJZLYFPD-ZDUSSCGKSA-N 1 0 345.802 2.632 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000790784557 1277771438 /nfs/dbraw/zinc/77/14/38/1277771438.db2.gz MVOJIAXAJKFBDQ-ONGXEEELSA-N 1 0 343.786 2.529 20 5 EFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c(C[NH+](C)C)c1 ZINC000791364920 1278071319 /nfs/dbraw/zinc/07/13/19/1278071319.db2.gz XTBPXZDLNMKXOP-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO CCN1CCC([N@H+](C)[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170345849 1279051251 /nfs/dbraw/zinc/05/12/51/1279051251.db2.gz MZVUGNKBUSLOSU-AWEZNQCLSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351433 1279057040 /nfs/dbraw/zinc/05/70/40/1279057040.db2.gz CFGWMSRXTFZSNA-CYBMUJFWSA-N 1 0 348.399 2.564 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878747 1279233425 /nfs/dbraw/zinc/23/34/25/1279233425.db2.gz ZULMYCPBPHIGDO-WBMJQRKESA-N 1 0 345.355 2.757 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793291728 1279499925 /nfs/dbraw/zinc/49/99/25/1279499925.db2.gz UYPLOGRIHOVYKR-ZDUSSCGKSA-N 1 0 325.796 2.596 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845557504 1279712469 /nfs/dbraw/zinc/71/24/69/1279712469.db2.gz PMYWMPYKZXAEOO-AOOOYVTPSA-N 1 0 329.759 2.662 20 5 EFBDRO COc1cc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000845728102 1279800850 /nfs/dbraw/zinc/80/08/50/1279800850.db2.gz FRFBGTDESQXSFS-SNVBAGLBSA-N 1 0 340.351 2.772 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)C1 ZINC000793765306 1279845634 /nfs/dbraw/zinc/84/56/34/1279845634.db2.gz HXAZQOXPXDUMGL-INIZCTEOSA-N 1 0 349.822 2.583 20 5 EFBDRO Cc1nn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000793745803 1279860126 /nfs/dbraw/zinc/86/01/26/1279860126.db2.gz TZENKRPIMAHQOC-OAHLLOKOSA-N 1 0 344.415 2.959 20 5 EFBDRO C[C@@H](COCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846072167 1280004962 /nfs/dbraw/zinc/00/49/62/1280004962.db2.gz CXGIRHLZANDYKX-AWEZNQCLSA-N 1 0 333.432 2.968 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000846065987 1280015167 /nfs/dbraw/zinc/01/51/67/1280015167.db2.gz XXYXAYALFNSXIY-UHFFFAOYSA-N 1 0 349.406 2.611 20 5 EFBDRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000846097705 1280031549 /nfs/dbraw/zinc/03/15/49/1280031549.db2.gz UIQJWHWZEBGSEI-VIFPVBQESA-N 1 0 346.214 2.860 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000872024326 1287404258 /nfs/dbraw/zinc/40/42/58/1287404258.db2.gz QGGHDZGVHLUTNA-VXGBXAGGSA-N 1 0 337.445 2.978 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NC1CCN(CC(F)(F)F)CC1)C[NH2+]C2 ZINC001170446020 1280138803 /nfs/dbraw/zinc/13/88/03/1280138803.db2.gz PHZQHMPTZDRVNL-UHFFFAOYSA-N 1 0 344.337 2.637 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000872021368 1287402754 /nfs/dbraw/zinc/40/27/54/1287402754.db2.gz CGZVKUROHOGFJP-CHWSQXEVSA-N 1 0 339.461 2.688 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000872024325 1287403689 /nfs/dbraw/zinc/40/36/89/1287403689.db2.gz QGGHDZGVHLUTNA-RYUDHWBXSA-N 1 0 337.445 2.978 20 5 EFBDRO COCCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872030617 1287405854 /nfs/dbraw/zinc/40/58/54/1287405854.db2.gz ITKULTRSXZQTMD-LBPRGKRZSA-N 1 0 327.450 2.546 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804529876 1280267862 /nfs/dbraw/zinc/26/78/62/1280267862.db2.gz OFHUYTXSHVTXKP-CYBMUJFWSA-N 1 0 334.376 2.671 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000872046959 1287411002 /nfs/dbraw/zinc/41/10/02/1287411002.db2.gz AFGCFJMWCFOLPM-IAQYHMDHSA-N 1 0 340.445 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000872048214 1287411272 /nfs/dbraw/zinc/41/12/72/1287411272.db2.gz HLUMMVDBFFEPJB-RYUDHWBXSA-N 1 0 337.445 2.977 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054489 1287413473 /nfs/dbraw/zinc/41/34/73/1287413473.db2.gz XGPMFIKJTRAOBS-ZKYQVNSYSA-N 1 0 337.445 2.882 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054487 1287413485 /nfs/dbraw/zinc/41/34/85/1287413485.db2.gz XGPMFIKJTRAOBS-QKCSRTOESA-N 1 0 337.445 2.882 20 5 EFBDRO O=C(Cc1cccc(F)c1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175379717 1287415205 /nfs/dbraw/zinc/41/52/05/1287415205.db2.gz WRCUKOPJBNLZER-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CCOCC1 ZINC000872059860 1287415856 /nfs/dbraw/zinc/41/58/56/1287415856.db2.gz JFBGHJMNKLEXQC-IAQYHMDHSA-N 1 0 340.445 2.755 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872066256 1287417913 /nfs/dbraw/zinc/41/79/13/1287417913.db2.gz LOKNDVXGURGPMJ-WDEREUQCSA-N 1 0 325.434 2.834 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846665963 1280384975 /nfs/dbraw/zinc/38/49/75/1280384975.db2.gz BDEMUGIJBPIBIY-GJZGRUSLSA-N 1 0 337.807 2.737 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846668483 1280386626 /nfs/dbraw/zinc/38/66/26/1280386626.db2.gz UPIFAKNUKKCBKG-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(O)CCOCC1 ZINC000872070399 1287419420 /nfs/dbraw/zinc/41/94/20/1287419420.db2.gz UCXLXDTUBHEEDK-LBPRGKRZSA-N 1 0 340.445 2.899 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001091358892 1280429168 /nfs/dbraw/zinc/42/91/68/1280429168.db2.gz OUGINSXCMXFRHZ-FZNQNYSPSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2[nH]ccc2s1 ZINC001149150575 1280619079 /nfs/dbraw/zinc/61/90/79/1280619079.db2.gz VKHIYICQKKVKFE-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846989345 1280677271 /nfs/dbraw/zinc/67/72/71/1280677271.db2.gz RIXAASUOWHKRDO-ZDUSSCGKSA-N 1 0 341.358 2.629 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1CCCC2 ZINC000847016763 1280705294 /nfs/dbraw/zinc/70/52/94/1280705294.db2.gz FGNHUFSRQFEPSF-CXAGYDPISA-N 1 0 336.363 2.899 20 5 EFBDRO CC(=O)NCC[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000805821761 1280798894 /nfs/dbraw/zinc/79/88/94/1280798894.db2.gz DSLXIVFEGFRPPU-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO [NH3+]Cc1ccccc1CNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001160906493 1280806985 /nfs/dbraw/zinc/80/69/85/1280806985.db2.gz ZBWIEBZSYIKVKJ-UHFFFAOYSA-N 1 0 342.733 2.941 20 5 EFBDRO CCc1cccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001130401326 1280809472 /nfs/dbraw/zinc/80/94/72/1280809472.db2.gz ZLTPSCDDLOKPBZ-UHFFFAOYSA-N 1 0 347.440 2.667 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2sccc2[nH]1 ZINC001146600119 1280947831 /nfs/dbraw/zinc/94/78/31/1280947831.db2.gz PXIOGMWDJORKLU-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO CCOc1cnc(-n2c(CC[NH3+])cc3ccccc32)c([N+](=O)[O-])c1 ZINC001171300603 1281126144 /nfs/dbraw/zinc/12/61/44/1281126144.db2.gz BYITVXKLJZHXFD-UHFFFAOYSA-N 1 0 326.356 2.834 20 5 EFBDRO Cc1nc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001175583708 1287476413 /nfs/dbraw/zinc/47/64/13/1287476413.db2.gz ABVBNGAMGVIXKA-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171303793 1281172625 /nfs/dbraw/zinc/17/26/25/1281172625.db2.gz BKQQSIOEVBUWCZ-UHFFFAOYSA-N 1 0 339.351 2.827 20 5 EFBDRO CCc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130814415 1281201692 /nfs/dbraw/zinc/20/16/92/1281201692.db2.gz MFFSRFZYFZJMBH-UHFFFAOYSA-N 1 0 345.374 2.816 20 5 EFBDRO CCc1oc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001147583352 1281212448 /nfs/dbraw/zinc/21/24/48/1281212448.db2.gz CLJVNZLHAONFOF-UHFFFAOYSA-N 1 0 331.372 2.578 20 5 EFBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001130883405 1281258946 /nfs/dbraw/zinc/25/89/46/1281258946.db2.gz AFOUZIAIBYYZNT-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001130883855 1281259118 /nfs/dbraw/zinc/25/91/18/1281259118.db2.gz WFKWQIPAUBELFT-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc1CC ZINC001147987746 1281392638 /nfs/dbraw/zinc/39/26/38/1281392638.db2.gz UXTJIWXOZXTNGJ-UHFFFAOYSA-N 1 0 345.399 2.832 20 5 EFBDRO Cc1cc(F)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001131120246 1281485466 /nfs/dbraw/zinc/48/54/66/1281485466.db2.gz JGIXCRFKVMCFSK-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000872252635 1287503327 /nfs/dbraw/zinc/50/33/27/1287503327.db2.gz UNPYLVBEWKTWPI-RCCFBDPRSA-N 1 0 330.384 2.730 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148512780 1281578528 /nfs/dbraw/zinc/57/85/28/1281578528.db2.gz XTSBWBROMALVLE-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000808230832 1281600186 /nfs/dbraw/zinc/60/01/86/1281600186.db2.gz QZHJVPDFQCCXBP-OAHLLOKOSA-N 1 0 327.388 2.933 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000808486860 1281733400 /nfs/dbraw/zinc/73/34/00/1281733400.db2.gz LEQUDRMDQNMGQH-ZDUSSCGKSA-N 1 0 335.404 2.692 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000825594118 1287525151 /nfs/dbraw/zinc/52/51/51/1287525151.db2.gz DRGXPPBLMLZICS-CQSZACIVSA-N 1 0 337.807 2.852 20 5 EFBDRO C[N@@H+]1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408198 1282047816 /nfs/dbraw/zinc/04/78/16/1282047816.db2.gz BVINILAREIMNEI-UHFFFAOYSA-N 1 0 346.218 2.756 20 5 EFBDRO Cn1c(Cl)nc(Cl)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728115 1282408765 /nfs/dbraw/zinc/40/87/65/1282408765.db2.gz LIJFQTLRMWNIAP-UHFFFAOYSA-N 1 0 344.202 2.600 20 5 EFBDRO [NH3+]CCN(C[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809736180 1282411756 /nfs/dbraw/zinc/41/17/56/1282411756.db2.gz IZESWXPYITUHRP-CQSZACIVSA-N 1 0 327.384 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000809732822 1282412053 /nfs/dbraw/zinc/41/20/53/1282412053.db2.gz LGNUZVLZYBLGLE-GOSISDBHSA-N 1 0 338.367 2.604 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000809734439 1282412775 /nfs/dbraw/zinc/41/27/75/1282412775.db2.gz DPCZIMUPEXDAAM-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO CC(C)N(C)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734764 1282414244 /nfs/dbraw/zinc/41/42/44/1282414244.db2.gz KULFSJKRHVWMBO-UHFFFAOYSA-N 1 0 343.431 2.800 20 5 EFBDRO COCCOc1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736530 1282414349 /nfs/dbraw/zinc/41/43/49/1282414349.db2.gz YROAZZWEBCXAGZ-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000809734900 1282414865 /nfs/dbraw/zinc/41/48/65/1282414865.db2.gz NPARJBQHCJUFMW-UHFFFAOYSA-N 1 0 345.399 2.886 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCO1 ZINC000809738107 1282437150 /nfs/dbraw/zinc/43/71/50/1282437150.db2.gz SQKUHCGDPALSNG-CQSZACIVSA-N 1 0 341.839 2.791 20 5 EFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809778239 1282477932 /nfs/dbraw/zinc/47/79/32/1282477932.db2.gz NGHDVKGUGVFYEY-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000809918804 1282564834 /nfs/dbraw/zinc/56/48/34/1282564834.db2.gz OZRDGBTYRHLHCO-LLVKDONJSA-N 1 0 338.795 2.854 20 5 EFBDRO Cc1cccc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001131969509 1282690852 /nfs/dbraw/zinc/69/08/52/1282690852.db2.gz LPLMOCLFIOGINE-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000809974143 1282694748 /nfs/dbraw/zinc/69/47/48/1282694748.db2.gz NSJBIKTYNZLDBG-ZDUSSCGKSA-N 1 0 349.214 2.779 20 5 EFBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000809986544 1282715362 /nfs/dbraw/zinc/71/53/62/1282715362.db2.gz JQKOSOJMRHEZOK-UHFFFAOYSA-N 1 0 349.214 2.875 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987878 1282716509 /nfs/dbraw/zinc/71/65/09/1282716509.db2.gz OZDGDAVANGZJKE-JQWIXIFHSA-N 1 0 346.214 2.906 20 5 EFBDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559364 1287595434 /nfs/dbraw/zinc/59/54/34/1287595434.db2.gz FHELGTBAQXCGPW-LBPRGKRZSA-N 1 0 348.447 2.865 20 5 EFBDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563819 1287597585 /nfs/dbraw/zinc/59/75/85/1287597585.db2.gz OYDVKJKIRZFLBM-LBPRGKRZSA-N 1 0 346.456 2.947 20 5 EFBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000810039062 1282802077 /nfs/dbraw/zinc/80/20/77/1282802077.db2.gz PIYKMADUWTZZOH-KRWDZBQOSA-N 1 0 347.415 2.880 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564684 1287598351 /nfs/dbraw/zinc/59/83/51/1287598351.db2.gz POFAMNULKXVMMV-ZFWWWQNUSA-N 1 0 329.400 2.679 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815564682 1287598886 /nfs/dbraw/zinc/59/88/86/1287598886.db2.gz POFAMNULKXVMMV-HIFRSBDPSA-N 1 0 329.400 2.679 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596578 1287622525 /nfs/dbraw/zinc/62/25/25/1287622525.db2.gz YAPMACXULWLGKX-WBMJQRKESA-N 1 0 346.431 2.761 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594637 1287622847 /nfs/dbraw/zinc/62/28/47/1287622847.db2.gz UYJSTYUMRWMZRK-PSLIRLAXSA-N 1 0 337.326 2.839 20 5 EFBDRO CC[N@@H+]1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562431 1283192368 /nfs/dbraw/zinc/19/23/68/1283192368.db2.gz CGZNEZHHYRUXLW-UHFFFAOYSA-N 1 0 334.207 2.612 20 5 EFBDRO Cc1cc(F)cc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132236240 1283194517 /nfs/dbraw/zinc/19/45/17/1283194517.db2.gz BOAOBZAFWHMXMK-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO COc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000810840836 1283729376 /nfs/dbraw/zinc/72/93/76/1283729376.db2.gz IVQPNBJBMVVBAS-ZIAGYGMSSA-N 1 0 334.372 2.695 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810847077 1283736106 /nfs/dbraw/zinc/73/61/06/1283736106.db2.gz MIWTXHZQXQMYLU-UONOGXRCSA-N 1 0 336.413 2.857 20 5 EFBDRO CCCNC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811474767 1284362457 /nfs/dbraw/zinc/36/24/57/1284362457.db2.gz AXFSFCCKMPIPRS-UHFFFAOYSA-N 1 0 334.203 2.908 20 5 EFBDRO CC[S@](=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480470 1284365308 /nfs/dbraw/zinc/36/53/08/1284365308.db2.gz ZDTORIMKEIHUJL-IBGZPJMESA-N 1 0 325.217 2.760 20 5 EFBDRO Cc1cc(NCCNC(=O)CCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001093704187 1284412930 /nfs/dbraw/zinc/41/29/30/1284412930.db2.gz ABWQBHFKSUNIMU-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1coc(C(F)F)c1 ZINC001132936511 1284472171 /nfs/dbraw/zinc/47/21/71/1284472171.db2.gz SDCFYXCZBJWKJF-UHFFFAOYSA-N 1 0 339.298 2.645 20 5 EFBDRO Cc1nn(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1[N+](=O)[O-] ZINC000811782930 1284598208 /nfs/dbraw/zinc/59/82/08/1284598208.db2.gz MPKMQBOPLPASFW-KRWDZBQOSA-N 1 0 328.372 2.527 20 5 EFBDRO Cc1cc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001093889098 1284599534 /nfs/dbraw/zinc/59/95/34/1284599534.db2.gz RYJTWYYXZHINPW-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO Cc1ccc(NCCNC(=O)C(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001093889249 1284600741 /nfs/dbraw/zinc/60/07/41/1284600741.db2.gz VUAWFLXOVQPXJX-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@@H+]1C1CC1 ZINC000811812611 1284643715 /nfs/dbraw/zinc/64/37/15/1284643715.db2.gz UEFZEJIUGKTDRC-AAEUAGOBSA-N 1 0 344.415 2.524 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC001170652324 1284788882 /nfs/dbraw/zinc/78/88/82/1284788882.db2.gz JNVVLAXTVSMHFX-UHFFFAOYSA-N 1 0 337.445 2.688 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC001170653024 1284790107 /nfs/dbraw/zinc/79/01/07/1284790107.db2.gz NQEKIJLFPCMWCS-UHFFFAOYSA-N 1 0 331.416 2.627 20 5 EFBDRO CC(C)n1cccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176207895 1287744684 /nfs/dbraw/zinc/74/46/84/1287744684.db2.gz JJSUEKITTKEHMM-UHFFFAOYSA-N 1 0 344.415 2.887 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001133156944 1284889440 /nfs/dbraw/zinc/88/94/40/1284889440.db2.gz ATNWZWSADBRISO-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000716203867 1285172170 /nfs/dbraw/zinc/17/21/70/1285172170.db2.gz LVFNPNAASVGEFK-BBRMVZONSA-N 1 0 327.388 2.707 20 5 EFBDRO Cc1cc(NCCCNC(=O)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094509383 1285216807 /nfs/dbraw/zinc/21/68/07/1285216807.db2.gz NSHNKQRHFMGQCX-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO COc1ccc([N+](=O)[O-])nc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170680645 1285243398 /nfs/dbraw/zinc/24/33/98/1285243398.db2.gz DEZVOBYOFAZNNR-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO CCCCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001133360929 1285252725 /nfs/dbraw/zinc/25/27/25/1285252725.db2.gz ZFYLZOFTBBBNIE-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171683042 1285714737 /nfs/dbraw/zinc/71/47/37/1285714737.db2.gz YIUIGMQOOSYLAE-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001171688987 1285751309 /nfs/dbraw/zinc/75/13/09/1285751309.db2.gz KYQYAEBMELCMOQ-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001171689092 1285752306 /nfs/dbraw/zinc/75/23/06/1285752306.db2.gz NSPAAIURBPQHIX-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO COc1ccsc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171770008 1285777031 /nfs/dbraw/zinc/77/70/31/1285777031.db2.gz JOLIXKOABKDASJ-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO COc1ccccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171825817 1285796816 /nfs/dbraw/zinc/79/68/16/1285796816.db2.gz CDYVHGHWRIJITC-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)[C@@H](C)C1 ZINC000822569165 1289035238 /nfs/dbraw/zinc/03/52/38/1289035238.db2.gz PRVQQJXBPZXVKL-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001171878886 1285909106 /nfs/dbraw/zinc/90/91/06/1285909106.db2.gz BAGXSUNDIXXUMD-UHFFFAOYSA-N 1 0 327.384 2.813 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1 ZINC001133834080 1286002641 /nfs/dbraw/zinc/00/26/41/1286002641.db2.gz NMEZYLGSFBQLLY-UHFFFAOYSA-N 1 0 348.428 2.694 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC001133837923 1286007796 /nfs/dbraw/zinc/00/77/96/1286007796.db2.gz QQNITCZITKVHFP-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO Cc1nnsc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000813883205 1286170129 /nfs/dbraw/zinc/17/01/29/1286170129.db2.gz AAMZAGJDMGIMSN-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902721 1286307725 /nfs/dbraw/zinc/30/77/25/1286307725.db2.gz BUIKUZGLULZMJH-MDZRGWNJSA-N 1 0 344.411 2.870 20 5 EFBDRO [NH3+]Cc1nc2cnccc2n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904993 1286309275 /nfs/dbraw/zinc/30/92/75/1286309275.db2.gz GZHAFXLCMWEZOK-CQSZACIVSA-N 1 0 337.383 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1ccc(O)cc1)CC2 ZINC001172906013 1286309892 /nfs/dbraw/zinc/30/98/92/1286309892.db2.gz LUSQYSHLDZGMRF-APWZRJJASA-N 1 0 342.395 2.871 20 5 EFBDRO NC(=O)[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172908829 1286311316 /nfs/dbraw/zinc/31/13/16/1286311316.db2.gz ZPIPPRYIFRMTCR-FUHWJXTLSA-N 1 0 339.395 2.658 20 5 EFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912447 1286324514 /nfs/dbraw/zinc/32/45/14/1286324514.db2.gz ALVAYYMLSYHVRD-JKSUJKDBSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)CC2 ZINC001172920526 1286328307 /nfs/dbraw/zinc/32/83/07/1286328307.db2.gz KAROYAREWXAPJE-NLNMYJFZSA-N 1 0 328.412 2.951 20 5 EFBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172920596 1286328467 /nfs/dbraw/zinc/32/84/67/1286328467.db2.gz KWABVKQNYHSKAD-BGTYHANMSA-N 1 0 344.411 2.583 20 5 EFBDRO Cc1nc2c(n1[C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C[NH2+]CC2 ZINC001172921003 1286328728 /nfs/dbraw/zinc/32/87/28/1286328728.db2.gz NTNYUOLRCHPGSY-HNNXBMFYSA-N 1 0 326.400 2.866 20 5 EFBDRO O=C(Cc1ccccc1Cl)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150109693 1286341738 /nfs/dbraw/zinc/34/17/38/1286341738.db2.gz VQVKOOMVOXOGBK-UHFFFAOYSA-N 1 0 347.802 2.697 20 5 EFBDRO Cn1cnc2c1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172912948 1286352759 /nfs/dbraw/zinc/35/27/59/1286352759.db2.gz MZWVZNAYSOTPOT-OAHLLOKOSA-N 1 0 326.400 2.634 20 5 EFBDRO COC(=O)CC[N@H+](C1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912684 1286352875 /nfs/dbraw/zinc/35/28/75/1286352875.db2.gz LGZYBUOXRWRHCT-HNNXBMFYSA-N 1 0 332.400 2.870 20 5 EFBDRO O=C1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC2(CCCC2)N1 ZINC001172912958 1286353530 /nfs/dbraw/zinc/35/35/30/1286353530.db2.gz NGMWTIJCLUFGNE-MRXNPFEDSA-N 1 0 343.427 2.587 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOC3(CCOCC3)C1)CC2 ZINC001172912502 1286353556 /nfs/dbraw/zinc/35/35/56/1286353556.db2.gz AKOIUXFIVYOWTD-KRWDZBQOSA-N 1 0 346.427 2.724 20 5 EFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000822663176 1289068854 /nfs/dbraw/zinc/06/88/54/1289068854.db2.gz MSLBOOJXRFGAMT-AWEZNQCLSA-N 1 0 347.415 2.548 20 5 EFBDRO [NH3+]Cc1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173008386 1286382029 /nfs/dbraw/zinc/38/20/29/1286382029.db2.gz WXJCZYVMBVJPEQ-UHFFFAOYSA-N 1 0 336.342 2.975 20 5 EFBDRO CCOCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007595 1286382519 /nfs/dbraw/zinc/38/25/19/1286382519.db2.gz UEPAKEFLTVDUTI-UHFFFAOYSA-N 1 0 343.374 2.858 20 5 EFBDRO C[C@]1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001173013401 1286382994 /nfs/dbraw/zinc/38/29/94/1286382994.db2.gz QXMIUKDVSDDXOR-INIZCTEOSA-N 1 0 341.358 2.610 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2ccccc2)c1F ZINC001173175553 1286451032 /nfs/dbraw/zinc/45/10/32/1286451032.db2.gz PHCSLCSISZEJML-LRDDRELGSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCn2ccnc2)c1F ZINC001173174842 1286451335 /nfs/dbraw/zinc/45/13/35/1286451335.db2.gz DNPPWCYXGOJSTD-LBPRGKRZSA-N 1 0 336.367 2.550 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCOCC2)c1F ZINC001173174734 1286451383 /nfs/dbraw/zinc/45/13/83/1286451383.db2.gz BAXGBUFDZDITIF-LLVKDONJSA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1F ZINC001173175424 1286451453 /nfs/dbraw/zinc/45/14/53/1286451453.db2.gz BXDZPHUFMJWXLG-SUHUHFCYSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cscn2)c1F ZINC001173174852 1286451542 /nfs/dbraw/zinc/45/15/42/1286451542.db2.gz DPBTYXQALGBAEV-VIFPVBQESA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccnc2F)c1F ZINC001173175606 1286451610 /nfs/dbraw/zinc/45/16/10/1286451610.db2.gz DQZRIVYFHTVQHY-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccncc2F)c1F ZINC001173175130 1286451712 /nfs/dbraw/zinc/45/17/12/1286451712.db2.gz AHAXUKJCNQVTIU-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1cncc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173176925 1286452483 /nfs/dbraw/zinc/45/24/83/1286452483.db2.gz AGGLXERVDJOSQL-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)C ZINC001173176111 1286452572 /nfs/dbraw/zinc/45/25/72/1286452572.db2.gz XPBSJVAKAYRNET-WCQYABFASA-N 1 0 328.384 2.934 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822717475 1289075610 /nfs/dbraw/zinc/07/56/10/1289075610.db2.gz ZTHSLDBLLOREJU-KBPBESRZSA-N 1 0 327.469 2.695 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(C)nn2C)c1F ZINC001173180059 1286454961 /nfs/dbraw/zinc/45/49/61/1286454961.db2.gz SNJNHQKKNUWYST-JTQLQIEISA-N 1 0 336.367 2.505 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1F ZINC001173180209 1286455358 /nfs/dbraw/zinc/45/53/58/1286455358.db2.gz JIKCYVICAHNKQY-PEBVRCNWSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(F)n2)c1F ZINC001173183641 1286456096 /nfs/dbraw/zinc/45/60/96/1286456096.db2.gz COSZUZCEUHTERX-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO CCN(CC[NH+](C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183609 1286456109 /nfs/dbraw/zinc/45/61/09/1286456109.db2.gz IGZUKLMPOCLTQT-GFCCVEGCSA-N 1 0 327.400 2.557 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1F ZINC001173183148 1286456160 /nfs/dbraw/zinc/45/61/60/1286456160.db2.gz LIVRTBSCVRXMQC-YNEHKIRRSA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC3(COC3)C2)c1F ZINC001173183506 1286456652 /nfs/dbraw/zinc/45/66/52/1286456652.db2.gz ZETXUQDUMGMKIG-GFCCVEGCSA-N 1 0 338.379 2.786 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1F ZINC001173194079 1286458713 /nfs/dbraw/zinc/45/87/13/1286458713.db2.gz XTQHFSVCYYATMB-JTQLQIEISA-N 1 0 335.335 2.564 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215859 1286470249 /nfs/dbraw/zinc/47/02/49/1286470249.db2.gz AOFRQFQOVXFTDJ-FZKQIMNGSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001173215409 1286470479 /nfs/dbraw/zinc/47/04/79/1286470479.db2.gz WLKWHZYALLTFIT-PBHICJAKSA-N 1 0 330.384 2.555 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)COCc1ccccc1 ZINC001173218520 1286472842 /nfs/dbraw/zinc/47/28/42/1286472842.db2.gz KHVKDDWWNHZDSL-YJBOKZPZSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cnc2ccc(F)cn21 ZINC001173218381 1286473172 /nfs/dbraw/zinc/47/31/72/1286473172.db2.gz ANQKZWDHKNGYMD-LLVKDONJSA-N 1 0 341.346 2.928 20 5 EFBDRO CC(C)NC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221942 1286475401 /nfs/dbraw/zinc/47/54/01/1286475401.db2.gz RFDHFBCQCIKMLL-AWEZNQCLSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001173223639 1286476995 /nfs/dbraw/zinc/47/69/95/1286476995.db2.gz JQCCSKREWSKHSX-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001173226596 1286480904 /nfs/dbraw/zinc/48/09/04/1286480904.db2.gz RFOROVJCWNKELB-KDOFPFPSSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC001173226978 1286481734 /nfs/dbraw/zinc/48/17/34/1286481734.db2.gz NGZYPCDPPLZJAU-CQSZACIVSA-N 1 0 326.400 2.873 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001173226711 1286482134 /nfs/dbraw/zinc/48/21/34/1286482134.db2.gz NMTHDDBZGWZPMD-NSHDSACASA-N 1 0 332.322 2.915 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227501 1286482452 /nfs/dbraw/zinc/48/24/52/1286482452.db2.gz GJZPKAYXMQZLBA-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001173231260 1286482801 /nfs/dbraw/zinc/48/28/01/1286482801.db2.gz AFIFBMBSHWAGIX-HNNXBMFYSA-N 1 0 341.415 2.528 20 5 EFBDRO CCN1CC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC001173230108 1286483167 /nfs/dbraw/zinc/48/31/67/1286483167.db2.gz ZCVJLEBHLGFWFQ-BEFAXECRSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001173232313 1286483240 /nfs/dbraw/zinc/48/32/40/1286483240.db2.gz DRVHVQGXUBVLQG-ZDUSSCGKSA-N 1 0 327.384 2.727 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001173233212 1286483856 /nfs/dbraw/zinc/48/38/56/1286483856.db2.gz JOPCXHNTSYZXIB-IGJVIKARSA-N 1 0 330.306 2.930 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1nccs1 ZINC001173235440 1286484184 /nfs/dbraw/zinc/48/41/84/1286484184.db2.gz SVCDKEXPOTZJOF-NSHDSACASA-N 1 0 334.401 2.601 20 5 EFBDRO COc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234548 1286484291 /nfs/dbraw/zinc/48/42/91/1286484291.db2.gz PJVNSSSHXUDSPN-RHSMWYFYSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001173234087 1286484406 /nfs/dbraw/zinc/48/44/06/1286484406.db2.gz MHMJCLGNECKCBR-ASFAAARLSA-N 1 0 345.443 2.954 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCCCC1=O ZINC001173233275 1286484421 /nfs/dbraw/zinc/48/44/21/1286484421.db2.gz HVIVTNRSWBMZBV-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001173235326 1286484559 /nfs/dbraw/zinc/48/45/59/1286484559.db2.gz WCJPMACZXOBGNL-INIZCTEOSA-N 1 0 347.459 2.713 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001173234789 1286484779 /nfs/dbraw/zinc/48/47/79/1286484779.db2.gz QBEQQBBAHHDCCT-MAUKXSAKSA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC001173210319 1286485417 /nfs/dbraw/zinc/48/54/17/1286485417.db2.gz ITGYMFZNVBEODT-QWHCGFSZSA-N 1 0 325.372 2.919 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccccc1 ZINC001173213211 1286486706 /nfs/dbraw/zinc/48/67/06/1286486706.db2.gz GRDKPCMIBFYGMG-AWEZNQCLSA-N 1 0 327.384 2.545 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001134249307 1286488623 /nfs/dbraw/zinc/48/86/23/1286488623.db2.gz HVCWTNKNOIXZEC-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO CCC(=O)N(C)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238092 1286496169 /nfs/dbraw/zinc/49/61/69/1286496169.db2.gz MXWUJBFNLJLVGV-AWEZNQCLSA-N 1 0 333.432 2.859 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001134357208 1286588864 /nfs/dbraw/zinc/58/88/64/1286588864.db2.gz UUISJSYFJFIBFN-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000814483343 1286652696 /nfs/dbraw/zinc/65/26/96/1286652696.db2.gz SBEREDGYYIFEKA-UHFFFAOYSA-N 1 0 341.383 2.689 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095233737 1286721839 /nfs/dbraw/zinc/72/18/39/1286721839.db2.gz OJYKZYFPUMQLND-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@H+](C)CCC(=O)N1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001095236122 1286725377 /nfs/dbraw/zinc/72/53/77/1286725377.db2.gz XIEBQKZTMVYXFP-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000822766054 1289112259 /nfs/dbraw/zinc/11/22/59/1289112259.db2.gz MGQCEIWSXRFOAW-UHFFFAOYSA-N 1 0 345.193 2.789 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822861702 1289141464 /nfs/dbraw/zinc/14/14/64/1289141464.db2.gz DUPWZNJZJOGELK-QLFBSQMISA-N 1 0 325.453 2.686 20 5 EFBDRO COc1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001176361025 1287965031 /nfs/dbraw/zinc/96/50/31/1287965031.db2.gz JILSIFKZIIOCHX-UHFFFAOYSA-N 1 0 331.376 2.810 20 5 EFBDRO COC[C@]1(C)CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830520256 1289147472 /nfs/dbraw/zinc/14/74/72/1289147472.db2.gz SEORLNZRKIXFMP-OAHLLOKOSA-N 1 0 341.795 2.545 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001176817933 1288134895 /nfs/dbraw/zinc/13/48/95/1288134895.db2.gz VOJIKVICLVERIK-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001176817860 1288135287 /nfs/dbraw/zinc/13/52/87/1288135287.db2.gz RBNVRUQEHMFGRH-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001176920719 1288172759 /nfs/dbraw/zinc/17/27/59/1288172759.db2.gz OHRZCLIZQXOPGG-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816660933 1288233726 /nfs/dbraw/zinc/23/37/26/1288233726.db2.gz VKKGSFMLFPLGCS-KSSFIOAISA-N 1 0 333.432 2.704 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816874159 1288308223 /nfs/dbraw/zinc/30/82/23/1288308223.db2.gz WQMGKBLBTMLGIF-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000853645740 1300210964 /nfs/dbraw/zinc/21/09/64/1300210964.db2.gz FHNHYRYAKHSUFP-SKDRFNHKSA-N 1 0 328.210 2.886 20 5 EFBDRO CSCC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177856001 1288572762 /nfs/dbraw/zinc/57/27/62/1288572762.db2.gz ROWZBGUDUYSCFQ-UHFFFAOYSA-N 1 0 339.461 2.724 20 5 EFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000817417670 1288594351 /nfs/dbraw/zinc/59/43/51/1288594351.db2.gz RNOSZJRNCHZRMU-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000821776705 1288793528 /nfs/dbraw/zinc/79/35/28/1288793528.db2.gz JUYUGFVIGNSHDD-YOGCLGLASA-N 1 0 335.429 2.672 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821891719 1288824544 /nfs/dbraw/zinc/82/45/44/1288824544.db2.gz NDVZAVQOLLNANI-MSOLQXFVSA-N 1 0 343.427 2.831 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822452888 1288994848 /nfs/dbraw/zinc/99/48/48/1288994848.db2.gz FFKKKVHDUNUZJZ-XYPHTWIQSA-N 1 0 331.416 2.546 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822452883 1288994994 /nfs/dbraw/zinc/99/49/94/1288994994.db2.gz FFKKKVHDUNUZJZ-COXVUDFISA-N 1 0 331.416 2.546 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000822458209 1288996605 /nfs/dbraw/zinc/99/66/05/1288996605.db2.gz GIWLFQLCHNHIAQ-OAHLLOKOSA-N 1 0 331.416 2.958 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822532736 1289011574 /nfs/dbraw/zinc/01/15/74/1289011574.db2.gz AEHOSZQHCCOYTB-GASCZTMLSA-N 1 0 327.469 2.696 20 5 EFBDRO CC(C)(CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N+](=O)[O-] ZINC000823083444 1289206223 /nfs/dbraw/zinc/20/62/23/1289206223.db2.gz AUAHXIFCVMMHBD-MRXNPFEDSA-N 1 0 339.480 2.937 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000823119448 1289214787 /nfs/dbraw/zinc/21/47/87/1289214787.db2.gz STHVBAYZWHLFIY-YQEWQEHLSA-N 1 0 331.416 2.687 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823243858 1289261189 /nfs/dbraw/zinc/26/11/89/1289261189.db2.gz OFVMNFWJSSSRSY-CQSZACIVSA-N 1 0 327.469 2.839 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000823591139 1289367951 /nfs/dbraw/zinc/36/79/51/1289367951.db2.gz IYHFYESGBPOVTR-SFHVURJKSA-N 1 0 330.384 2.813 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCc3ccc(O)cc3C1)C[NH2+]C2 ZINC001171034165 1289463874 /nfs/dbraw/zinc/46/38/74/1289463874.db2.gz YPXLPYBONGTOHE-HNNXBMFYSA-N 1 0 325.368 2.873 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000823933081 1289495454 /nfs/dbraw/zinc/49/54/54/1289495454.db2.gz KCUYCTBTHIURAV-LBPRGKRZSA-N 1 0 347.419 2.515 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939872 1289496246 /nfs/dbraw/zinc/49/62/46/1289496246.db2.gz YKVXHSJSFQCMOY-UHFFFAOYSA-N 1 0 335.408 2.517 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003179 1289498083 /nfs/dbraw/zinc/49/80/83/1289498083.db2.gz RMXZEBCGINLHRJ-UHFFFAOYSA-N 1 0 349.435 2.763 20 5 EFBDRO C[N@H+](CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000824003329 1289498492 /nfs/dbraw/zinc/49/84/92/1289498492.db2.gz XRUVVDQCCIBOBS-UHFFFAOYSA-N 1 0 349.435 2.953 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1cccs1 ZINC000824008634 1289499649 /nfs/dbraw/zinc/49/96/49/1289499649.db2.gz RWXUJPPRFHKHEZ-ZDUSSCGKSA-N 1 0 349.416 2.663 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000823993425 1289510112 /nfs/dbraw/zinc/51/01/12/1289510112.db2.gz FKJCMHHMDMNKMW-AWEZNQCLSA-N 1 0 337.424 2.665 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824002735 1289511952 /nfs/dbraw/zinc/51/19/52/1289511952.db2.gz GKXRKHOEOVKLGT-UHFFFAOYSA-N 1 0 349.435 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000873010544 1289518335 /nfs/dbraw/zinc/51/83/35/1289518335.db2.gz JPGOLGAPZDOLJU-UHFFFAOYSA-N 1 0 343.431 2.862 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NCc1ccccc1 ZINC000873011799 1289518377 /nfs/dbraw/zinc/51/83/77/1289518377.db2.gz GNFSBFDMADGTMP-UHFFFAOYSA-N 1 0 327.384 2.618 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000873021725 1289524903 /nfs/dbraw/zinc/52/49/03/1289524903.db2.gz PFSQZEXVCUCMIH-INIZCTEOSA-N 1 0 344.415 2.568 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000873023077 1289525396 /nfs/dbraw/zinc/52/53/96/1289525396.db2.gz ZWJRWTAFHKZCLU-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000873058904 1289544143 /nfs/dbraw/zinc/54/41/43/1289544143.db2.gz LBHRCCDPUIQGQU-UONOGXRCSA-N 1 0 340.445 2.657 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000873075208 1289553754 /nfs/dbraw/zinc/55/37/54/1289553754.db2.gz SZPTXHVOJJSXHO-CQSZACIVSA-N 1 0 330.363 2.806 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000873129702 1289584986 /nfs/dbraw/zinc/58/49/86/1289584986.db2.gz QXTIBJBVRDPKEN-GDBMZVCRSA-N 1 0 330.388 2.647 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873130239 1289586676 /nfs/dbraw/zinc/58/66/76/1289586676.db2.gz BJUBZXJTYJXHLW-MRXNPFEDSA-N 1 0 330.384 2.778 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000824331458 1289609239 /nfs/dbraw/zinc/60/92/39/1289609239.db2.gz KHUWXGJUKTUZAD-GXFFZTMASA-N 1 0 338.795 2.806 20 5 EFBDRO CC[C@@H]1COCCN1CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000873189643 1289629881 /nfs/dbraw/zinc/62/98/81/1289629881.db2.gz SKDOQIQGDNANHS-GSPCDJLXSA-N 1 0 333.432 2.699 20 5 EFBDRO Cc1c(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cccc1[N+](=O)[O-] ZINC000873299064 1289712719 /nfs/dbraw/zinc/71/27/19/1289712719.db2.gz IMCPKAQWRVZYHC-OAHLLOKOSA-N 1 0 340.383 2.739 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C12CC[NH+](CC1)CC2 ZINC001181545710 1289840696 /nfs/dbraw/zinc/84/06/96/1289840696.db2.gz HUMGTKHZIIIDSG-UHFFFAOYSA-N 1 0 347.422 2.790 20 5 EFBDRO O=C(CCCF)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001166630597 1312808016 /nfs/dbraw/zinc/80/80/16/1312808016.db2.gz LOADVBBQHWCHSC-UHFFFAOYSA-N 1 0 337.395 2.721 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1nccc1-c1ccncc1 ZINC000795643227 1290796503 /nfs/dbraw/zinc/79/65/03/1290796503.db2.gz ANGPCNQIJRTVFS-UHFFFAOYSA-N 1 0 337.383 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876542411 1290938044 /nfs/dbraw/zinc/93/80/44/1290938044.db2.gz UUKUQWMLHBRBOV-MRXNPFEDSA-N 1 0 333.432 2.508 20 5 EFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc2ccc3cccnc3c2n1 ZINC001166699930 1312823615 /nfs/dbraw/zinc/82/36/15/1312823615.db2.gz DODNJXTUVXKDJW-HNNXBMFYSA-N 1 0 342.406 2.873 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000876853849 1291048829 /nfs/dbraw/zinc/04/88/29/1291048829.db2.gz ARBSAIVONHXAEV-UHFFFAOYSA-N 1 0 341.367 2.946 20 5 EFBDRO Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000825921471 1291069999 /nfs/dbraw/zinc/06/99/99/1291069999.db2.gz VTOOPJXQWOSITP-QGZVFWFLSA-N 1 0 343.383 2.637 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CCO)C2CC2)cc1Br ZINC000877058737 1291121033 /nfs/dbraw/zinc/12/10/33/1291121033.db2.gz FWDLLCZJUCGEAC-JTQLQIEISA-N 1 0 335.223 2.669 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000877086762 1291131452 /nfs/dbraw/zinc/13/14/52/1291131452.db2.gz AITMBHICVJXHQT-HNNXBMFYSA-N 1 0 328.796 2.779 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000877399173 1291224291 /nfs/dbraw/zinc/22/42/91/1291224291.db2.gz LFCJAXZMDSLNII-UHFFFAOYSA-N 1 0 341.411 2.952 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000877485738 1291246203 /nfs/dbraw/zinc/24/62/03/1291246203.db2.gz FBPFBMWULCKSRP-CQSZACIVSA-N 1 0 334.416 2.982 20 5 EFBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000795700958 1291256081 /nfs/dbraw/zinc/25/60/81/1291256081.db2.gz MJPGXGXRTKZSCH-BBRMVZONSA-N 1 0 343.431 2.769 20 5 EFBDRO CC[C@@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000877832574 1291400348 /nfs/dbraw/zinc/40/03/48/1291400348.db2.gz NSMJNPSUTTTYFH-GDIGMMSISA-N 1 0 344.411 2.773 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878046071 1291469041 /nfs/dbraw/zinc/46/90/41/1291469041.db2.gz YBZAKHCYUXAGBF-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO Nc1ccnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001166888521 1312861068 /nfs/dbraw/zinc/86/10/68/1312861068.db2.gz JRCHTQFUUXIAAE-OAHLLOKOSA-N 1 0 327.388 2.821 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000878223709 1291565587 /nfs/dbraw/zinc/56/55/87/1291565587.db2.gz RCZXKARWMOETCG-AEFFLSMTSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000878223711 1291565841 /nfs/dbraw/zinc/56/58/41/1291565841.db2.gz RCZXKARWMOETCG-FUHWJXTLSA-N 1 0 344.415 2.688 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878682049 1291751718 /nfs/dbraw/zinc/75/17/18/1291751718.db2.gz JQAVBWWVMLYALY-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@@H](O)c3ccccc3)C2)nc1 ZINC000795956101 1291808201 /nfs/dbraw/zinc/80/82/01/1291808201.db2.gz UNXMFGIRAKGBKG-DOTOQJQBSA-N 1 0 342.399 2.600 20 5 EFBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001114773575 1291902144 /nfs/dbraw/zinc/90/21/44/1291902144.db2.gz UHNJWIGNYFEVRO-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001151848492 1292057829 /nfs/dbraw/zinc/05/78/29/1292057829.db2.gz MUAMGRFFJNVCQM-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879517004 1292165768 /nfs/dbraw/zinc/16/57/68/1292165768.db2.gz BUUFIWAZNQJESJ-QGZVFWFLSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879522438 1292170728 /nfs/dbraw/zinc/17/07/28/1292170728.db2.gz XNECJTNOQXKCKP-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000880042468 1292343895 /nfs/dbraw/zinc/34/38/95/1292343895.db2.gz AUUDWYQCJOCXNJ-ZDUSSCGKSA-N 1 0 336.388 2.769 20 5 EFBDRO CC(=O)c1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)ccc1[N+](=O)[O-] ZINC001233496596 1312942903 /nfs/dbraw/zinc/94/29/03/1312942903.db2.gz XVJJUKAJFIRUNC-HNNXBMFYSA-N 1 0 348.399 2.820 20 5 EFBDRO Cc1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000881213240 1292788856 /nfs/dbraw/zinc/78/88/56/1292788856.db2.gz YQBYCTZQBDBHRI-UHFFFAOYSA-N 1 0 329.404 2.965 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000881352710 1292850041 /nfs/dbraw/zinc/85/00/41/1292850041.db2.gz MYOXZUYPNZYOID-UHFFFAOYSA-N 1 0 349.822 2.916 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2cc(Br)cc(F)c21 ZINC001233667625 1312966828 /nfs/dbraw/zinc/96/68/28/1312966828.db2.gz ITIJNZHWUPSRPF-QMMMGPOBSA-N 1 0 331.209 2.938 20 5 EFBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000881780764 1293004526 /nfs/dbraw/zinc/00/45/26/1293004526.db2.gz CUGBLJPEHFIDAY-UHFFFAOYSA-N 1 0 348.353 2.980 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000881810111 1293014491 /nfs/dbraw/zinc/01/44/91/1293014491.db2.gz ABYZHVQFCPXQIV-IAGOWNOFSA-N 1 0 344.415 2.526 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(F)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001233699066 1312974573 /nfs/dbraw/zinc/97/45/73/1312974573.db2.gz UGBLMBCHDXRVKN-BETUJISGSA-N 1 0 342.342 2.895 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(F)c([N+](=O)[O-])c(F)c3)O2)CC1 ZINC001233749256 1312984127 /nfs/dbraw/zinc/98/41/27/1312984127.db2.gz DRPNYLSUGPWBRJ-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882444806 1293203778 /nfs/dbraw/zinc/20/37/78/1293203778.db2.gz WBDILGXCVRTYOT-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882727414 1293299596 /nfs/dbraw/zinc/29/95/96/1293299596.db2.gz VVLJXEVTUQHYRT-OAHLLOKOSA-N 1 0 347.415 2.535 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cccc1[N+](=O)[O-] ZINC000883280741 1293530810 /nfs/dbraw/zinc/53/08/10/1293530810.db2.gz MLXGRTILZFOQHT-UHFFFAOYSA-N 1 0 340.383 2.723 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000883455366 1293599078 /nfs/dbraw/zinc/59/90/78/1293599078.db2.gz BDEUGKQEDUAXAI-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000883457155 1293600338 /nfs/dbraw/zinc/60/03/38/1293600338.db2.gz WCBSNGSZDHVQIW-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001233903028 1313015217 /nfs/dbraw/zinc/01/52/17/1313015217.db2.gz NCSLNBBKJMVKGZ-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]CCC12CCC2 ZINC000883539378 1293628706 /nfs/dbraw/zinc/62/87/06/1293628706.db2.gz YAXWRGBUHZNPFF-UHFFFAOYSA-N 1 0 338.795 2.998 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233947505 1313023884 /nfs/dbraw/zinc/02/38/84/1313023884.db2.gz QQILXIGZLQLEAD-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1O)Cc1ccc([N+](=O)[O-])cc1 ZINC001234099328 1313056694 /nfs/dbraw/zinc/05/66/94/1313056694.db2.gz DVOCNAAYRRVSDL-UHFFFAOYSA-N 1 0 343.383 2.552 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000884706426 1294225455 /nfs/dbraw/zinc/22/54/55/1294225455.db2.gz CAHSNGQWVJTSJT-UHFFFAOYSA-N 1 0 332.408 2.844 20 5 EFBDRO COc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000884855745 1294268510 /nfs/dbraw/zinc/26/85/10/1294268510.db2.gz PKCOQRQEYQQPRV-ZDUSSCGKSA-N 1 0 328.372 2.714 20 5 EFBDRO CC(C)SCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234147070 1313068095 /nfs/dbraw/zinc/06/80/95/1313068095.db2.gz ZOYKTUWLRMTRHM-UHFFFAOYSA-N 1 0 339.461 2.675 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000885972831 1294597560 /nfs/dbraw/zinc/59/75/60/1294597560.db2.gz LQICHQDLCGQGSA-MRXNPFEDSA-N 1 0 332.448 2.934 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000136811221 1294688702 /nfs/dbraw/zinc/68/87/02/1294688702.db2.gz QZNLJEZNQXATEY-KRWDZBQOSA-N 1 0 346.383 2.777 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000886122824 1294713546 /nfs/dbraw/zinc/71/35/46/1294713546.db2.gz KYRFTIIYMSLKOM-UHFFFAOYSA-N 1 0 329.404 2.879 20 5 EFBDRO C[C@H](C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000886205926 1294761662 /nfs/dbraw/zinc/76/16/62/1294761662.db2.gz CZHIEYUIEMNKCA-CABCVRRESA-N 1 0 329.400 2.976 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)o1 ZINC000886229336 1294775660 /nfs/dbraw/zinc/77/56/60/1294775660.db2.gz OFIWIKVRDPXOLK-KBPBESRZSA-N 1 0 346.383 2.874 20 5 EFBDRO CN(Cc1cccnc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000886274334 1294809308 /nfs/dbraw/zinc/80/93/08/1294809308.db2.gz QQRQLOHCOZLDLG-UHFFFAOYSA-N 1 0 338.408 2.725 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000886279261 1294810528 /nfs/dbraw/zinc/81/05/28/1294810528.db2.gz UOJXGHYUHVTZGB-DLBZAZTESA-N 1 0 327.384 2.588 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000886303970 1294835343 /nfs/dbraw/zinc/83/53/43/1294835343.db2.gz KOQHOFUICXOTAM-CABCVRRESA-N 1 0 335.310 2.888 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903718025 1313111994 /nfs/dbraw/zinc/11/19/94/1313111994.db2.gz YAQXOMVNMCKSFE-CYBMUJFWSA-N 1 0 330.226 2.820 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234359890 1313113098 /nfs/dbraw/zinc/11/30/98/1313113098.db2.gz KKNNNWWVKFMZFC-CQSZACIVSA-N 1 0 337.420 2.541 20 5 EFBDRO Cc1ncsc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234362237 1313114145 /nfs/dbraw/zinc/11/41/45/1313114145.db2.gz ZROFFZVQNGKKLS-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(I)c1 ZINC001234399024 1313119084 /nfs/dbraw/zinc/11/90/84/1313119084.db2.gz QCIXHECQNISBCK-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000886602131 1295048314 /nfs/dbraw/zinc/04/83/14/1295048314.db2.gz KJDHNGWTLDDSEG-KZNAEPCWSA-N 1 0 345.443 2.887 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886935682 1295220517 /nfs/dbraw/zinc/22/05/17/1295220517.db2.gz SXUCLNRHGNFRDB-LLVKDONJSA-N 1 0 342.346 2.578 20 5 EFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000887131495 1295286996 /nfs/dbraw/zinc/28/69/96/1295286996.db2.gz ZBZSOYRDTCOLRS-HNNXBMFYSA-N 1 0 342.399 2.579 20 5 EFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134570 1295288253 /nfs/dbraw/zinc/28/82/53/1295288253.db2.gz LXVAFRLUIKORSH-ZDUSSCGKSA-N 1 0 330.363 2.840 20 5 EFBDRO COc1cc(Br)c(O[C@@H](C)C[N+](C)(C)C)cc1OC ZINC001234509773 1313141761 /nfs/dbraw/zinc/14/17/61/1313141761.db2.gz SUGZDACEJCYMRK-JTQLQIEISA-N 1 0 333.246 2.940 20 5 EFBDRO CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000252701793 1295307740 /nfs/dbraw/zinc/30/77/40/1295307740.db2.gz FHJAOSKNCGELIR-WCQYABFASA-N 1 0 342.237 2.917 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000252707056 1295317868 /nfs/dbraw/zinc/31/78/68/1295317868.db2.gz VYPJTISECDJQDW-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H]1[NH2+]CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000903748113 1313159120 /nfs/dbraw/zinc/15/91/20/1313159120.db2.gz YVHSVJNVIWROHU-NXEZZACHSA-N 1 0 328.210 2.540 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903751731 1313162232 /nfs/dbraw/zinc/16/22/32/1313162232.db2.gz IMRNUSJWZWTNHJ-QGZVFWFLSA-N 1 0 345.443 2.718 20 5 EFBDRO C[C@@H]1[C@H](C)N(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000775984567 1295571180 /nfs/dbraw/zinc/57/11/80/1295571180.db2.gz GXPULRSHJXABQH-MNOVXSKESA-N 1 0 342.237 2.882 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903753761 1313166174 /nfs/dbraw/zinc/16/61/74/1313166174.db2.gz YBVLKWRGMCKBJC-ISTVAULSSA-N 1 0 342.237 2.833 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903753759 1313166286 /nfs/dbraw/zinc/16/62/86/1313166286.db2.gz YBVLKWRGMCKBJC-BFVZDQMLSA-N 1 0 342.237 2.833 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001234710079 1313185617 /nfs/dbraw/zinc/18/56/17/1313185617.db2.gz GKBLOUNGIBZZQJ-ZDUSSCGKSA-N 1 0 336.415 2.912 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234876639 1313201661 /nfs/dbraw/zinc/20/16/61/1313201661.db2.gz ICMQQFJHSCIPOZ-VIFPVBQESA-N 1 0 331.166 2.536 20 5 EFBDRO CCOC(=O)c1c(=O)[nH]c(C)c(C(C)C)c1O[C@@H](C)C[N+](C)(C)C ZINC001234900993 1313205313 /nfs/dbraw/zinc/20/53/13/1313205313.db2.gz XDXUEUOXVMPIDP-LBPRGKRZSA-O 1 0 339.456 2.869 20 5 EFBDRO COc1ccc(Br)c(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001234936911 1313209795 /nfs/dbraw/zinc/20/97/95/1313209795.db2.gz VLLHQKWVRUTJII-SNVBAGLBSA-N 1 0 333.246 2.940 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000776154926 1296720819 /nfs/dbraw/zinc/72/08/19/1296720819.db2.gz CRZGCGWFJBUITD-BRWVUGGUSA-N 1 0 334.416 2.956 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000927083325 1296985586 /nfs/dbraw/zinc/98/55/86/1296985586.db2.gz DXDNOIHPVZRAFP-XIRDDKMYSA-N 1 0 334.416 2.701 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@H](O)CC2)c1 ZINC000930590937 1297276279 /nfs/dbraw/zinc/27/62/79/1297276279.db2.gz VNNJETNACDFZLX-LBPRGKRZSA-N 1 0 329.194 2.704 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000776270261 1297323246 /nfs/dbraw/zinc/32/32/46/1297323246.db2.gz BHASTNKTBGOKIX-KRWDZBQOSA-N 1 0 346.383 2.777 20 5 EFBDRO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776279819 1297355871 /nfs/dbraw/zinc/35/58/71/1297355871.db2.gz YCAQRSZWQURNNQ-GOSISDBHSA-N 1 0 330.384 2.947 20 5 EFBDRO O=C(CCCF)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001205918844 1313375631 /nfs/dbraw/zinc/37/56/31/1313375631.db2.gz HEOKFNPJNXVIGA-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934192759 1297545552 /nfs/dbraw/zinc/54/55/52/1297545552.db2.gz AKGRTXQPHBUWTC-XOSAIJSUSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934192756 1297546114 /nfs/dbraw/zinc/54/61/14/1297546114.db2.gz AKGRTXQPHBUWTC-ABFRBSLYSA-N 1 0 331.416 2.687 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CC2 ZINC000935220039 1297618358 /nfs/dbraw/zinc/61/83/58/1297618358.db2.gz XJXXUHKQGCUXHB-SJORKVTESA-N 1 0 343.427 2.785 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1N ZINC001236350326 1313473022 /nfs/dbraw/zinc/47/30/22/1313473022.db2.gz RSLZUCBAKRMVNU-VQTJNVASSA-N 1 0 334.419 2.925 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000776486899 1299305436 /nfs/dbraw/zinc/30/54/36/1299305436.db2.gz YPFSYXCURKCNLM-JTQLQIEISA-N 1 0 326.784 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000776585301 1299612768 /nfs/dbraw/zinc/61/27/68/1299612768.db2.gz UQADTQZRMRNSFW-GOSISDBHSA-N 1 0 333.432 2.579 20 5 EFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000776590290 1299685456 /nfs/dbraw/zinc/68/54/56/1299685456.db2.gz YQVXSHSNHUTVBP-ZWKOTPCHSA-N 1 0 330.384 2.684 20 5 EFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776601919 1299731154 /nfs/dbraw/zinc/73/11/54/1299731154.db2.gz NNCXOUJNBYZCSK-CVEARBPZSA-N 1 0 330.388 2.805 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000852593344 1299775372 /nfs/dbraw/zinc/77/53/72/1299775372.db2.gz FHWVELXVYOOMAX-ROUUACIJSA-N 1 0 334.416 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000776606708 1299778033 /nfs/dbraw/zinc/77/80/33/1299778033.db2.gz ZXQFGDAJLWLQLB-HDMKZQKVSA-N 1 0 334.416 2.767 20 5 EFBDRO CC(C)C[NH2+]C1(CO)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000853660624 1300218334 /nfs/dbraw/zinc/21/83/34/1300218334.db2.gz ILHBTFSLKPMEMY-UHFFFAOYSA-N 1 0 341.839 2.825 20 5 EFBDRO CC(C)CO[C@@H](C)C(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853672665 1300223932 /nfs/dbraw/zinc/22/39/32/1300223932.db2.gz JFIUBBUHPRDUBC-VIFPVBQESA-N 1 0 331.319 2.933 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313732 1300512618 /nfs/dbraw/zinc/51/26/18/1300512618.db2.gz CRKKCWQKSFHSTM-LLVKDONJSA-N 1 0 336.392 2.598 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CC[NH+]2CCCCC2)c1F ZINC000855034164 1300770793 /nfs/dbraw/zinc/77/07/93/1300770793.db2.gz VCGZJKHNHLVNIN-UHFFFAOYSA-N 1 0 341.358 2.739 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000245850711 1300789131 /nfs/dbraw/zinc/78/91/31/1300789131.db2.gz JGDLQECLHAZFLN-RHSMWYFYSA-N 1 0 343.431 2.627 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000245905776 1300813179 /nfs/dbraw/zinc/81/31/79/1300813179.db2.gz UOKRWYJBXXAYKV-YPMHNXCESA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1F ZINC000855286564 1300888159 /nfs/dbraw/zinc/88/81/59/1300888159.db2.gz TVOLBBKUBGQLFJ-JTQLQIEISA-N 1 0 341.358 2.784 20 5 EFBDRO O=C(CC1CC1)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000963483125 1300935662 /nfs/dbraw/zinc/93/56/62/1300935662.db2.gz CEVNHSTYCFCDQF-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000776810944 1300944358 /nfs/dbraw/zinc/94/43/58/1300944358.db2.gz IYXRWDCHHVQBBI-ZFWWWQNUSA-N 1 0 335.404 2.941 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776821857 1301018514 /nfs/dbraw/zinc/01/85/14/1301018514.db2.gz HHXDWDAUVOCUMI-ZBFHGGJFSA-N 1 0 349.431 2.984 20 5 EFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000795430999 1301339330 /nfs/dbraw/zinc/33/93/30/1301339330.db2.gz MGQQGQOTDPJYFQ-SUMWQHHRSA-N 1 0 328.368 2.911 20 5 EFBDRO CC1(C(=O)NC2CC3(C2)CC([NH2+]Cc2csc([N+](=O)[O-])c2)C3)CC1 ZINC000963844597 1301369344 /nfs/dbraw/zinc/36/93/44/1301369344.db2.gz CCEJUXLIYLVRLD-UHFFFAOYSA-N 1 0 349.456 2.973 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859423440 1301460181 /nfs/dbraw/zinc/46/01/81/1301460181.db2.gz RZKIDIGRTGPQBO-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859900618 1301628775 /nfs/dbraw/zinc/62/87/75/1301628775.db2.gz DFCWRLJUTTWGOG-WDEREUQCSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860096121 1301698359 /nfs/dbraw/zinc/69/83/59/1301698359.db2.gz UPCOYSNTMFRWQT-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861952063 1302256325 /nfs/dbraw/zinc/25/63/25/1302256325.db2.gz DFDQFGNXVUEJDE-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000864945114 1303093740 /nfs/dbraw/zinc/09/37/40/1303093740.db2.gz DUTIQNVTIAEYAA-CYBMUJFWSA-N 1 0 337.395 2.515 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000865140714 1303174784 /nfs/dbraw/zinc/17/47/84/1303174784.db2.gz JIKXQPHRMPVUAT-OAHLLOKOSA-N 1 0 349.406 2.753 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097187973 1313898080 /nfs/dbraw/zinc/89/80/80/1313898080.db2.gz LZLDIPSKIFNVFR-GASCZTMLSA-N 1 0 346.431 2.530 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccccc1 ZINC000865403410 1303238835 /nfs/dbraw/zinc/23/88/35/1303238835.db2.gz DUYAPDKAJFMREI-KRWDZBQOSA-N 1 0 333.363 2.941 20 5 EFBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+]1CCCCC1 ZINC000865454660 1303265075 /nfs/dbraw/zinc/26/50/75/1303265075.db2.gz GITKNIYUSMHDBD-LBPRGKRZSA-N 1 0 325.384 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(C(F)F)c1 ZINC000865454132 1303265159 /nfs/dbraw/zinc/26/51/59/1303265159.db2.gz QWADALVFWADFJN-UHFFFAOYSA-N 1 0 329.347 2.791 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865525267 1303295212 /nfs/dbraw/zinc/29/52/12/1303295212.db2.gz VQUXBJFCITVCCG-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865525266 1303295282 /nfs/dbraw/zinc/29/52/82/1303295282.db2.gz VQUXBJFCITVCCG-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865592651 1303325282 /nfs/dbraw/zinc/32/52/82/1303325282.db2.gz WXZZSKHFHDTJIG-GFCCVEGCSA-N 1 0 341.358 2.691 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCOCC3)C2)c(C(F)F)c1 ZINC000865843084 1303426089 /nfs/dbraw/zinc/42/60/89/1303426089.db2.gz JZBDIHBWHYBEPR-CYBMUJFWSA-N 1 0 341.358 2.833 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865917017 1303453495 /nfs/dbraw/zinc/45/34/95/1303453495.db2.gz XKJVKBUMEKUNBV-UHFFFAOYSA-N 1 0 325.384 2.537 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866103582 1303525443 /nfs/dbraw/zinc/52/54/43/1303525443.db2.gz YXKDMDYJCGKOPP-AWEZNQCLSA-N 1 0 349.406 2.611 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCCO1 ZINC000866218902 1303568440 /nfs/dbraw/zinc/56/84/40/1303568440.db2.gz AVDCZYOYDYRZEV-XJKSGUPXSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000866259272 1303583374 /nfs/dbraw/zinc/58/33/74/1303583374.db2.gz AEUVNDWFBSNGLF-SUMWQHHRSA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000866259266 1303583810 /nfs/dbraw/zinc/58/38/10/1303583810.db2.gz AEUVNDWFBSNGLF-CXAGYDPISA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCOC1 ZINC000866270739 1303588181 /nfs/dbraw/zinc/58/81/81/1303588181.db2.gz UFSXWYFJCDVVTI-KGLIPLIRSA-N 1 0 340.395 2.698 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCOC1 ZINC000866270741 1303588189 /nfs/dbraw/zinc/58/81/89/1303588189.db2.gz UFSXWYFJCDVVTI-ZIAGYGMSSA-N 1 0 340.395 2.698 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866303508 1303594731 /nfs/dbraw/zinc/59/47/31/1303594731.db2.gz UBEZLMOGVAZXBO-BXUZGUMPSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000866309887 1303598449 /nfs/dbraw/zinc/59/84/49/1303598449.db2.gz CPOVNHZCJBQNBQ-SRCQZFHVSA-N 1 0 338.379 2.593 20 5 EFBDRO COCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866366174 1303616215 /nfs/dbraw/zinc/61/62/15/1303616215.db2.gz YBLLRZKPBQFEQQ-CYBMUJFWSA-N 1 0 340.395 2.698 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867944334 1304032862 /nfs/dbraw/zinc/03/28/62/1304032862.db2.gz SIFITSDNPCIMIH-IBGZPJMESA-N 1 0 341.411 2.908 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867944335 1304032953 /nfs/dbraw/zinc/03/29/53/1304032953.db2.gz SIFITSDNPCIMIH-LJQANCHMSA-N 1 0 341.411 2.908 20 5 EFBDRO CC[C@@H](Cc1ccccc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945741 1304034236 /nfs/dbraw/zinc/03/42/36/1304034236.db2.gz HVZRAHJPOHPMLS-QFBILLFUSA-N 1 0 341.411 2.906 20 5 EFBDRO CC[C@H](Cc1ccccc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945742 1304034401 /nfs/dbraw/zinc/03/44/01/1304034401.db2.gz HVZRAHJPOHPMLS-VQIMIIECSA-N 1 0 341.411 2.906 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867947884 1304035157 /nfs/dbraw/zinc/03/51/57/1304035157.db2.gz MGMMTIMQYIWHLZ-POZUXBRTSA-N 1 0 339.395 2.516 20 5 EFBDRO C[C@H](Cc1ccsc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948255 1304036456 /nfs/dbraw/zinc/03/64/56/1304036456.db2.gz QYOKPRJWHIGGPC-BDJLRTHQSA-N 1 0 333.413 2.578 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948532 1304036577 /nfs/dbraw/zinc/03/65/77/1304036577.db2.gz YGKSOJFJKDHZHL-SOLBZPMBSA-N 1 0 331.416 2.854 20 5 EFBDRO CCc1ccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867950893 1304038330 /nfs/dbraw/zinc/03/83/30/1304038330.db2.gz IAPGBJZIKXJDFF-INIZCTEOSA-N 1 0 333.413 2.709 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867952716 1304040900 /nfs/dbraw/zinc/04/09/00/1304040900.db2.gz DNBWQPOBQZWUEZ-GOSISDBHSA-N 1 0 327.384 2.518 20 5 EFBDRO Cc1cc(F)ccc1CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956708 1304043740 /nfs/dbraw/zinc/04/37/40/1304043740.db2.gz SDWAAVQNZADXGP-GOSISDBHSA-N 1 0 345.374 2.575 20 5 EFBDRO Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867981167 1304056182 /nfs/dbraw/zinc/05/61/82/1304056182.db2.gz IUOIXDKDPVEMTG-YQVWRLOYSA-N 1 0 339.395 2.749 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000868061525 1304102891 /nfs/dbraw/zinc/10/28/91/1304102891.db2.gz DGYHKXOBSVMZIU-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc([N+](=O)[O-])c1Cl ZINC000868159271 1304161513 /nfs/dbraw/zinc/16/15/13/1304161513.db2.gz QOYHZCIBTWMJTH-JGPRNRPPSA-N 1 0 338.795 2.900 20 5 EFBDRO CCC(=O)c1ccc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000795092804 1304919237 /nfs/dbraw/zinc/91/92/37/1304919237.db2.gz KGDVDXLLBWQMKC-UHFFFAOYSA-N 1 0 349.431 2.735 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795135498 1305422964 /nfs/dbraw/zinc/42/29/64/1305422964.db2.gz IOLWTZPQMGJAND-DOMZBBRYSA-N 1 0 334.445 2.850 20 5 EFBDRO CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000795136397 1305448606 /nfs/dbraw/zinc/44/86/06/1305448606.db2.gz MMGFOIRXNKTIRY-YIONKMFJSA-N 1 0 334.445 2.849 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870862355 1305637581 /nfs/dbraw/zinc/63/75/81/1305637581.db2.gz PFRSPCPCFFYIHQ-UMSPYCQHSA-N 1 0 325.796 2.724 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NC1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870912721 1305678834 /nfs/dbraw/zinc/67/88/34/1305678834.db2.gz KJWUBQJTHPJOMA-KJXMEXGPSA-N 1 0 339.395 2.831 20 5 EFBDRO COc1cc(C(=O)NCCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000870959211 1305711115 /nfs/dbraw/zinc/71/11/15/1305711115.db2.gz YIEVVLFFLQVMEJ-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976995 1305722597 /nfs/dbraw/zinc/72/25/97/1305722597.db2.gz CZANDZIWBSQKFT-YIYPIFLZSA-N 1 0 349.456 2.722 20 5 EFBDRO Cc1c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000796550739 1306253880 /nfs/dbraw/zinc/25/38/80/1306253880.db2.gz FPKAUZGZRXSLRZ-OAHLLOKOSA-N 1 0 335.404 2.956 20 5 EFBDRO CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796555446 1306354524 /nfs/dbraw/zinc/35/45/24/1306354524.db2.gz STHYBRNDUZZFRY-AWEZNQCLSA-N 1 0 339.367 2.787 20 5 EFBDRO CC1(NC(=O)c2ccc[nH]2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045363040 1307279006 /nfs/dbraw/zinc/27/90/06/1307279006.db2.gz AHMALNBBDHDYQO-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900240477 1307809877 /nfs/dbraw/zinc/80/98/77/1307809877.db2.gz LDAWXHXCXBNKHP-GHMZBOCLSA-N 1 0 341.770 2.744 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900408967 1308135541 /nfs/dbraw/zinc/13/55/41/1308135541.db2.gz CJCRRKHTTZSBOH-JTQLQIEISA-N 1 0 343.786 2.847 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900522306 1308253957 /nfs/dbraw/zinc/25/39/57/1308253957.db2.gz AZLXSLOMEFIINC-SECBINFHSA-N 1 0 331.775 2.847 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900692159 1308540729 /nfs/dbraw/zinc/54/07/29/1308540729.db2.gz FEXIKVLKSZCGIE-NSHDSACASA-N 1 0 331.775 2.703 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000800860088 1308565181 /nfs/dbraw/zinc/56/51/81/1308565181.db2.gz TVDWRLRXVSQVHV-CYBMUJFWSA-N 1 0 340.387 2.515 20 5 EFBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)nc2)CC1 ZINC001209934107 1314261239 /nfs/dbraw/zinc/26/12/39/1314261239.db2.gz IWZOKWPQWIZZOO-UHFFFAOYSA-N 1 0 343.387 2.789 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900889184 1308835622 /nfs/dbraw/zinc/83/56/22/1308835622.db2.gz DXJJPJIQTWAJNI-SNVBAGLBSA-N 1 0 343.786 2.801 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000801569853 1310540714 /nfs/dbraw/zinc/54/07/14/1310540714.db2.gz GDQRZPDMNUTWJE-OAHLLOKOSA-N 1 0 328.368 2.957 20 5 EFBDRO Nc1ccc2cc3ccc(Nc4cnc(NCCO)nc4)cc3[nH+]c2c1 ZINC001210901782 1314406833 /nfs/dbraw/zinc/40/68/33/1314406833.db2.gz YHHXLEXIKQFOSZ-UHFFFAOYSA-N 1 0 346.394 2.908 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210951742 1314414520 /nfs/dbraw/zinc/41/45/20/1314414520.db2.gz ONGCOMNBQZACSV-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c(N)c([N+](=O)[O-])c1 ZINC000749581266 1311034415 /nfs/dbraw/zinc/03/44/15/1311034415.db2.gz BHICBRBAPHAEFA-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000749687420 1311037451 /nfs/dbraw/zinc/03/74/51/1311037451.db2.gz JQSOTFGHYSYLIY-CRAIPNDOSA-N 1 0 342.399 2.606 20 5 EFBDRO CC(C)(F)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222252568 1311105399 /nfs/dbraw/zinc/10/53/99/1311105399.db2.gz LUPWHGFLZVSTCR-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO CC(C)CC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222269556 1311107915 /nfs/dbraw/zinc/10/79/15/1311107915.db2.gz JZSRVOAGFSFOLE-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO CC(C)CC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222269264 1311108028 /nfs/dbraw/zinc/10/80/28/1311108028.db2.gz FQTZOVMIXKXYGQ-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000801932545 1311119021 /nfs/dbraw/zinc/11/90/21/1311119021.db2.gz OYZZXKWWVPBCQA-UHFFFAOYSA-N 1 0 346.362 2.938 20 5 EFBDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001222413870 1311127722 /nfs/dbraw/zinc/12/77/22/1311127722.db2.gz FEOXCBGUOUIRNY-FQEVSTJZSA-N 1 0 334.419 2.940 20 5 EFBDRO O=C(/C=C/C1CC1)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222741176 1311178697 /nfs/dbraw/zinc/17/86/97/1311178697.db2.gz MLEUHHXVWMOLSL-BQYQJAHWSA-N 1 0 343.427 2.889 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001222778314 1311182693 /nfs/dbraw/zinc/18/26/93/1311182693.db2.gz WCUBRHXKVGAFIX-JOCQHMNTSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001222778351 1311182739 /nfs/dbraw/zinc/18/27/39/1311182739.db2.gz WGINXJMQUGQYRR-FVCICTRLSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001222778014 1311182892 /nfs/dbraw/zinc/18/28/92/1311182892.db2.gz SJKWDOSVBSICDR-CYBMUJFWSA-N 1 0 336.388 2.771 20 5 EFBDRO CC1(C(=O)NCC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001223265159 1311234235 /nfs/dbraw/zinc/23/42/35/1311234235.db2.gz BFEPWMKAOHOTLX-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO COC(=O)c1ccc(COC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001223413699 1311257875 /nfs/dbraw/zinc/25/78/75/1311257875.db2.gz OFKBZKNNCIQQAE-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001223448545 1311262213 /nfs/dbraw/zinc/26/22/13/1311262213.db2.gz OHZSRYUHZHMPNA-OAHLLOKOSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cccc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001223663221 1311289018 /nfs/dbraw/zinc/28/90/18/1311289018.db2.gz UUSKZCVBIHKEBG-HDJSIYSDSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cccc(CO[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223663728 1311289074 /nfs/dbraw/zinc/28/90/74/1311289074.db2.gz ZHSLQDLNCWDKMP-AWEZNQCLSA-N 1 0 336.388 2.771 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001223966492 1311326696 /nfs/dbraw/zinc/32/66/96/1311326696.db2.gz KBXFJYLFJGAOCC-OAHLLOKOSA-N 1 0 336.388 2.772 20 5 EFBDRO O=C(CCCF)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001224105841 1311342434 /nfs/dbraw/zinc/34/24/34/1311342434.db2.gz MBAKBGJPWUEQMT-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782518265 1311367797 /nfs/dbraw/zinc/36/77/97/1311367797.db2.gz BRXFEIUGBKIWDI-CXAGYDPISA-N 1 0 328.368 2.911 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158729719 1311375489 /nfs/dbraw/zinc/37/54/89/1311375489.db2.gz KZRIDWJSQFELOH-ZDUSSCGKSA-N 1 0 343.387 2.942 20 5 EFBDRO COc1ncnc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c1[N+](=O)[O-] ZINC001158731507 1311375544 /nfs/dbraw/zinc/37/55/44/1311375544.db2.gz XZFOWBPVLATQOD-LBPRGKRZSA-N 1 0 329.360 2.634 20 5 EFBDRO [NH3+][C@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC12COC2 ZINC001158761380 1311382455 /nfs/dbraw/zinc/38/24/55/1311382455.db2.gz BBZOAPDZMNFIJP-ZDUSSCGKSA-N 1 0 340.814 2.600 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(NCC34CC[NH+](CC3)CC4)nn2)cc1 ZINC001158828536 1311397547 /nfs/dbraw/zinc/39/75/47/1311397547.db2.gz FSXUUFTWJUVXBZ-UHFFFAOYSA-N 1 0 339.399 2.950 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@@H]21 ZINC001224622504 1311414811 /nfs/dbraw/zinc/41/48/11/1311414811.db2.gz GYYMPCOTLSJRHI-PMPSAXMXSA-N 1 0 327.489 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H](OCCC[N+](C)(C)C)CC(F)(F)C1 ZINC001224623656 1311415112 /nfs/dbraw/zinc/41/51/12/1311415112.db2.gz PDBKFHGGXKCACL-ZDUSSCGKSA-N 1 0 337.431 2.744 20 5 EFBDRO CC(C)(OCCC[N+](C)(C)C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001224623087 1311415043 /nfs/dbraw/zinc/41/50/43/1311415043.db2.gz KYWPYNVQBLKNMA-KRWDZBQOSA-N 1 0 346.447 2.988 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001224707808 1311425789 /nfs/dbraw/zinc/42/57/89/1311425789.db2.gz TVHVDKFPAAJCEW-KBPBESRZSA-N 1 0 337.395 2.814 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC4(C3)CCC[NH2+]C4)ccc21 ZINC001159025507 1311436138 /nfs/dbraw/zinc/43/61/38/1311436138.db2.gz ROPYCHHJHAXGJO-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO CCc1cc(N(C)C(C)(C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159058787 1311443371 /nfs/dbraw/zinc/44/33/71/1311443371.db2.gz BZXRJRIRZGOGEF-UHFFFAOYSA-N 1 0 329.404 2.788 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2occc2[nH]1 ZINC001159122033 1311455486 /nfs/dbraw/zinc/45/54/86/1311455486.db2.gz XRIDFUCDSIOCTQ-UHFFFAOYSA-N 1 0 342.355 2.579 20 5 EFBDRO CCOC(=O)c1c2c(sc1Nc1ccc([N+](=O)[O-])nc1)C[NH2+]CC2 ZINC001159208995 1311474332 /nfs/dbraw/zinc/47/43/32/1311474332.db2.gz RNIBDQGXBDRZBZ-UHFFFAOYSA-N 1 0 348.384 2.617 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccnc2OCC2CC[NH2+]CC2)c1 ZINC001159295191 1311488522 /nfs/dbraw/zinc/48/85/22/1311488522.db2.gz LOPBOKKDDQNJAJ-UHFFFAOYSA-N 1 0 344.371 2.817 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c1F ZINC001159340187 1311498569 /nfs/dbraw/zinc/49/85/69/1311498569.db2.gz XQWVQHJRKPQQLM-SNVBAGLBSA-N 1 0 336.298 2.752 20 5 EFBDRO CN(CC[NH3+])CCNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159439696 1311516336 /nfs/dbraw/zinc/51/63/36/1311516336.db2.gz WOPPKAZUZJBYDK-UHFFFAOYSA-N 1 0 329.835 2.739 20 5 EFBDRO C[C@@H](Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159500657 1311527810 /nfs/dbraw/zinc/52/78/10/1311527810.db2.gz FHNQLYVJVZFBJW-OTYXRUKQSA-N 1 0 336.779 2.585 20 5 EFBDRO C[C@H](Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCO1 ZINC001159503758 1311528567 /nfs/dbraw/zinc/52/85/67/1311528567.db2.gz ZDTWDJNOZGBQNG-LKFCYVNXSA-N 1 0 336.779 2.585 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1[nH]ccc1C1CC1 ZINC001159614709 1311552659 /nfs/dbraw/zinc/55/26/59/1311552659.db2.gz IVMARCRTEMLYII-UHFFFAOYSA-N 1 0 348.428 2.772 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159631865 1311555694 /nfs/dbraw/zinc/55/56/94/1311555694.db2.gz VHRASEUXCFPKQD-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225635058 1311557672 /nfs/dbraw/zinc/55/76/72/1311557672.db2.gz WOVQYMQSTKIEJV-DZGCQCFKSA-N 1 0 328.372 2.989 20 5 EFBDRO CC(C)(CC(F)F)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001159691439 1311566749 /nfs/dbraw/zinc/56/67/49/1311566749.db2.gz VRVIXBBYNOBVMA-UHFFFAOYSA-N 1 0 349.403 2.934 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc(Br)cc1[N+](=O)[O-])C2 ZINC001225747569 1311571995 /nfs/dbraw/zinc/57/19/95/1311571995.db2.gz NMXZZIICDCLMGI-JGPRNRPPSA-N 1 0 342.193 2.756 20 5 EFBDRO Cc1c(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159832889 1311592410 /nfs/dbraw/zinc/59/24/10/1311592410.db2.gz PJERDUYMHYWWSV-LBPRGKRZSA-N 1 0 328.328 2.981 20 5 EFBDRO CN1CCO[C@@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973354 1311596125 /nfs/dbraw/zinc/59/61/25/1311596125.db2.gz QHMGXNDTNJFISO-GOSISDBHSA-N 1 0 328.368 2.971 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159856166 1311597314 /nfs/dbraw/zinc/59/73/14/1311597314.db2.gz NEZMFORTNQOJHO-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO COc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159947778 1311614967 /nfs/dbraw/zinc/61/49/67/1311614967.db2.gz PUSFOVQPCXTQSR-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc([N+](=O)[O-])c(F)cc3F)O2)CC1 ZINC001226192571 1311627201 /nfs/dbraw/zinc/62/72/01/1311627201.db2.gz XBSGOYPZQILPCN-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO COc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001160005159 1311627528 /nfs/dbraw/zinc/62/75/28/1311627528.db2.gz ZYLWGJJDOQOYPG-LLVKDONJSA-N 1 0 341.371 2.535 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])c(C)n3)c2c1 ZINC001160010698 1311627907 /nfs/dbraw/zinc/62/79/07/1311627907.db2.gz CCQNIZWBGIIYPK-LLVKDONJSA-N 1 0 325.372 2.835 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C)ncc3[N+](=O)[O-])c2c1 ZINC001160013336 1311628748 /nfs/dbraw/zinc/62/87/48/1311628748.db2.gz WCSDDQUKVUXTJA-LLVKDONJSA-N 1 0 325.372 2.835 20 5 EFBDRO COC(=O)Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226216275 1311631572 /nfs/dbraw/zinc/63/15/72/1311631572.db2.gz HGOQCKHNQOSPKT-AWEZNQCLSA-N 1 0 336.388 2.562 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ncc([N+](=O)[O-])cc3Cl)O2)CC1 ZINC001226256588 1311637503 /nfs/dbraw/zinc/63/75/03/1311637503.db2.gz UMRMFYXNYIEVND-GFCCVEGCSA-N 1 0 341.795 2.665 20 5 EFBDRO COc1cc(Br)c(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001226283891 1311641988 /nfs/dbraw/zinc/64/19/88/1311641988.db2.gz ZHQDZJNTDGWVGF-UHFFFAOYSA-N 1 0 345.193 2.839 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226304357 1311645468 /nfs/dbraw/zinc/64/54/68/1311645468.db2.gz ZIMFQTIYTQRIPB-LLVKDONJSA-N 1 0 334.294 2.713 20 5 EFBDRO Cc1nc(Cl)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160124312 1311648194 /nfs/dbraw/zinc/64/81/94/1311648194.db2.gz QYPJNKQTXZIWKC-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001226577344 1311691349 /nfs/dbraw/zinc/69/13/49/1311691349.db2.gz YXPUGUNRUDJKJW-AWEZNQCLSA-N 1 0 329.356 2.652 20 5 EFBDRO COc1cc(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001226578509 1311691636 /nfs/dbraw/zinc/69/16/36/1311691636.db2.gz HONPIQSNRHCZIO-GUYCJALGSA-N 1 0 343.383 2.898 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160338323 1311693538 /nfs/dbraw/zinc/69/35/38/1311693538.db2.gz WVZQLBNBRVKYCU-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001226593865 1311693950 /nfs/dbraw/zinc/69/39/50/1311693950.db2.gz NQRSVWWDILJCBW-MRXNPFEDSA-N 1 0 341.479 2.508 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c(Br)csc21 ZINC001226609546 1311696592 /nfs/dbraw/zinc/69/65/92/1311696592.db2.gz OMBQZYKRGSOBCP-QMMMGPOBSA-N 1 0 331.259 2.927 20 5 EFBDRO [NH3+]Cc1ccc(Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)cn1 ZINC001160406216 1311703964 /nfs/dbraw/zinc/70/39/64/1311703964.db2.gz SWZSWJZYRGMRFS-UHFFFAOYSA-N 1 0 340.318 2.788 20 5 EFBDRO CSCC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000902392898 1311705962 /nfs/dbraw/zinc/70/59/62/1311705962.db2.gz LYIKNJOAOSJSHK-UHFFFAOYSA-N 1 0 347.444 2.886 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226733191 1311715250 /nfs/dbraw/zinc/71/52/50/1311715250.db2.gz JILYGEKEEZGTOX-XJKSGUPXSA-N 1 0 328.372 2.674 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001160476550 1311719478 /nfs/dbraw/zinc/71/94/78/1311719478.db2.gz YBNMCCAUNYJVTA-XYYAHUGASA-N 1 0 348.403 2.594 20 5 EFBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001160475699 1311719635 /nfs/dbraw/zinc/71/96/35/1311719635.db2.gz IVYYTETVSHWDCE-XYYAHUGASA-N 1 0 327.388 2.965 20 5 EFBDRO O=C(/C=C\C1CC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226777533 1311721784 /nfs/dbraw/zinc/72/17/84/1311721784.db2.gz DADWIAPXLFIXQW-SREVYHEPSA-N 1 0 329.400 2.642 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(Cl)c([N+](=O)[O-])cn3)O2)CC1 ZINC001226918483 1311741116 /nfs/dbraw/zinc/74/11/16/1311741116.db2.gz XPCYFNBQHNIJRU-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccccc2c2ccccc21 ZINC001226992565 1311751358 /nfs/dbraw/zinc/75/13/58/1311751358.db2.gz MAOZABYLXJDVSR-CQSZACIVSA-N 1 0 339.415 2.751 20 5 EFBDRO COc1cc(C)nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160661083 1311753790 /nfs/dbraw/zinc/75/37/90/1311753790.db2.gz CQBLWMWCJHMFKB-CYBMUJFWSA-N 1 0 344.415 2.908 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CC[C@H]1O ZINC001160734624 1311771464 /nfs/dbraw/zinc/77/14/64/1311771464.db2.gz DXMZDKDSEAYYSA-PZJWPPBQSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160737151 1311771731 /nfs/dbraw/zinc/77/17/31/1311771731.db2.gz BNFVNPQIJQWBOJ-ICSRJNTNSA-N 1 0 334.419 2.532 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160737153 1311771853 /nfs/dbraw/zinc/77/18/53/1311771853.db2.gz BNFVNPQIJQWBOJ-QUCCMNQESA-N 1 0 334.419 2.532 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160738747 1311771966 /nfs/dbraw/zinc/77/19/66/1311771966.db2.gz UWQQZZJXPLSIPD-VXNVDRBHSA-N 1 0 338.717 2.904 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001227184814 1311773561 /nfs/dbraw/zinc/77/35/61/1311773561.db2.gz KMZGSLWMDAMUQW-CQSZACIVSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160759734 1311776011 /nfs/dbraw/zinc/77/60/11/1311776011.db2.gz LYXUXCXUNPCEJK-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001160763900 1311776472 /nfs/dbraw/zinc/77/64/72/1311776472.db2.gz XEBSEXATMGNUEQ-UHFFFAOYSA-N 1 0 342.355 2.718 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160763907 1311776612 /nfs/dbraw/zinc/77/66/12/1311776612.db2.gz XLLAMHYAUPGZAK-UHFFFAOYSA-N 1 0 337.339 2.882 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC001227216345 1311777715 /nfs/dbraw/zinc/77/77/15/1311777715.db2.gz RAZLKNBPDMMGRB-PJXYFTJBSA-N 1 0 329.356 2.853 20 5 EFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902481423 1311781129 /nfs/dbraw/zinc/78/11/29/1311781129.db2.gz CRUNIWSHQAMSHV-DOTOQJQBSA-N 1 0 343.431 2.540 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)oc2c1 ZINC001227234756 1311781176 /nfs/dbraw/zinc/78/11/76/1311781176.db2.gz SHGSMYDSRIUNMK-MQMHXKEQSA-N 1 0 347.371 2.758 20 5 EFBDRO Cn1ccnc1[C@H](NC[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902485034 1311788100 /nfs/dbraw/zinc/78/81/00/1311788100.db2.gz YIBGPWRZQOLCTM-NVXWUHKLSA-N 1 0 343.431 2.540 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001227297665 1311790502 /nfs/dbraw/zinc/79/05/02/1311790502.db2.gz WOLDADUADIQSPP-WDNDVIMCSA-N 1 0 334.372 2.776 20 5 EFBDRO CSc1nc(Cl)nc(NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC001160907018 1311807505 /nfs/dbraw/zinc/80/75/05/1311807505.db2.gz GHNATUMAPCSJAS-UHFFFAOYSA-N 1 0 339.808 2.831 20 5 EFBDRO [NH3+]Cc1ccccc1CNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001160906378 1311807534 /nfs/dbraw/zinc/80/75/34/1311807534.db2.gz WFDDIAALBKLNHA-UHFFFAOYSA-N 1 0 342.733 2.941 20 5 EFBDRO [NH3+]Cc1ccccc1CNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001160906246 1311807537 /nfs/dbraw/zinc/80/75/37/1311807537.db2.gz QTZAKEVXRODBFT-UHFFFAOYSA-N 1 0 328.159 2.762 20 5 EFBDRO O=[N+]([O-])c1ccccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001227483923 1311811529 /nfs/dbraw/zinc/81/15/29/1311811529.db2.gz DULXJYJGXJYTJV-MRXNPFEDSA-N 1 0 328.368 2.875 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(I)c(F)c1 ZINC001227494723 1311811723 /nfs/dbraw/zinc/81/17/23/1311811723.db2.gz JLENSORBGHTHLM-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2[nH]cnc21 ZINC001227692655 1311840349 /nfs/dbraw/zinc/84/03/49/1311840349.db2.gz AMVLMAIKVPVQFA-CYBMUJFWSA-N 1 0 339.355 2.519 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902541611 1311853407 /nfs/dbraw/zinc/85/34/07/1311853407.db2.gz IGZJDVAHNJNKKB-MRXNPFEDSA-N 1 0 331.420 2.564 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525123 1311860615 /nfs/dbraw/zinc/86/06/15/1311860615.db2.gz MBRONEWDRUQQBN-CWQOZTLDSA-N 1 0 347.459 2.511 20 5 EFBDRO Cc1nc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001161118882 1311862633 /nfs/dbraw/zinc/86/26/33/1311862633.db2.gz PLOZDJTXUIOWQW-UHFFFAOYSA-N 1 0 334.420 2.790 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c(F)c1 ZINC001161131994 1311866060 /nfs/dbraw/zinc/86/60/60/1311866060.db2.gz VUSCWYWWFZMNPD-UHFFFAOYSA-N 1 0 346.362 2.911 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161569184 1311918750 /nfs/dbraw/zinc/91/87/50/1311918750.db2.gz DSSJVEAGBSNNMI-UHFFFAOYSA-N 1 0 339.827 2.835 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001161584125 1311922513 /nfs/dbraw/zinc/92/25/13/1311922513.db2.gz UAVZWPJRTPXUEB-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO O=C(CCC(F)F)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228308124 1311929253 /nfs/dbraw/zinc/92/92/53/1311929253.db2.gz WYRRDTGNLRJSID-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CC1(CC(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001228333425 1311932251 /nfs/dbraw/zinc/93/22/51/1311932251.db2.gz XYAKSSDMAGLSHL-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(F)cc(F)c3[N+](=O)[O-])O2)CC1 ZINC001228610483 1311969558 /nfs/dbraw/zinc/96/95/58/1311969558.db2.gz WLNIEHRPUULDGZ-GFCCVEGCSA-N 1 0 342.342 2.895 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228655075 1311976480 /nfs/dbraw/zinc/97/64/80/1311976480.db2.gz PGZVDJRBNJQXTP-CZUORRHYSA-N 1 0 328.372 2.674 20 5 EFBDRO Nc1nc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161822639 1311981806 /nfs/dbraw/zinc/98/18/06/1311981806.db2.gz VNLYWJAAZFJIOL-MRXNPFEDSA-N 1 0 345.378 2.864 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c3ccccc3oc(=O)c1[N+](=O)[O-])C2 ZINC001228802402 1312001630 /nfs/dbraw/zinc/00/16/30/1312001630.db2.gz KCTQMTBMUCLDIB-ZSBIGDGJSA-N 1 0 330.340 2.705 20 5 EFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC001228803382 1312002063 /nfs/dbraw/zinc/00/20/63/1312002063.db2.gz AIOCQWBZRFJJQF-HAQNSBGRSA-N 1 0 332.356 2.953 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001228962246 1312027911 /nfs/dbraw/zinc/02/79/11/1312027911.db2.gz HMPLXXLWHKDHKV-SNVBAGLBSA-N 1 0 328.752 2.508 20 5 EFBDRO COCCC1([NH3+])CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001162041475 1312037053 /nfs/dbraw/zinc/03/70/53/1312037053.db2.gz KEYHCJMNIOTQIB-UHFFFAOYSA-N 1 0 349.218 2.631 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1Br ZINC001229086280 1312045703 /nfs/dbraw/zinc/04/57/03/1312045703.db2.gz OMTRKACVYUVVAN-ZDUSSCGKSA-N 1 0 327.178 2.830 20 5 EFBDRO CC(=O)Nc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128064 1312051530 /nfs/dbraw/zinc/05/15/30/1312051530.db2.gz KBSMWKRXBLGCAA-CYBMUJFWSA-N 1 0 349.387 2.617 20 5 EFBDRO CC(=O)c1cccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001229133002 1312051714 /nfs/dbraw/zinc/05/17/14/1312051714.db2.gz ZIVHCTZNPCJSEF-AWEZNQCLSA-N 1 0 348.399 2.820 20 5 EFBDRO CC(=O)Nc1cc(O[C@@H]2CCC[N@@H+](C)CC2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229131778 1312051802 /nfs/dbraw/zinc/05/18/02/1312051802.db2.gz YWJAUDLYQLBSDZ-CYBMUJFWSA-N 1 0 349.387 2.619 20 5 EFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](CCOC)CC1 ZINC001229180738 1312058023 /nfs/dbraw/zinc/05/80/23/1312058023.db2.gz XYFCWLSBDFYZHI-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO COc1ncnc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001162186203 1312063814 /nfs/dbraw/zinc/06/38/14/1312063814.db2.gz IKJGWLMKRLXJQI-HDJSIYSDSA-N 1 0 349.435 2.660 20 5 EFBDRO CCOC(=O)c1ccnc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001162353260 1312093357 /nfs/dbraw/zinc/09/33/57/1312093357.db2.gz NODCUSOKWOTDJC-QGZVFWFLSA-N 1 0 348.403 2.501 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162467469 1312109391 /nfs/dbraw/zinc/10/93/91/1312109391.db2.gz QQHYAROSBBKNKJ-OLZOCXBDSA-N 1 0 335.404 2.819 20 5 EFBDRO O=C(C1=CCCC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048762750 1312114408 /nfs/dbraw/zinc/11/44/08/1312114408.db2.gz LORQDKPWWFCPLJ-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162537571 1312120606 /nfs/dbraw/zinc/12/06/06/1312120606.db2.gz OJYDGKSZBWZVOK-UHFFFAOYSA-N 1 0 346.387 2.713 20 5 EFBDRO CCOc1nc(-n2cncc2-c2cccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162564377 1312125392 /nfs/dbraw/zinc/12/53/92/1312125392.db2.gz CAQXDBLOLPHKGI-UHFFFAOYSA-N 1 0 339.355 2.700 20 5 EFBDRO O=[N+]([O-])c1c(Br)ccnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162586868 1312129991 /nfs/dbraw/zinc/12/99/91/1312129991.db2.gz LKMATAWOIQHFAH-GFCCVEGCSA-N 1 0 347.188 2.646 20 5 EFBDRO O=[N+]([O-])c1c(Br)ccnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162586869 1312130048 /nfs/dbraw/zinc/13/00/48/1312130048.db2.gz LKMATAWOIQHFAH-LBPRGKRZSA-N 1 0 347.188 2.646 20 5 EFBDRO Cc1cc(O)c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001229749499 1312132769 /nfs/dbraw/zinc/13/27/69/1312132769.db2.gz BKUYDRCNGTXCHE-HDJSIYSDSA-N 1 0 336.388 2.631 20 5 EFBDRO CC(=O)N(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC001162639241 1312141223 /nfs/dbraw/zinc/14/12/23/1312141223.db2.gz RPQMWIDPJXFGDF-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229898883 1312156622 /nfs/dbraw/zinc/15/66/22/1312156622.db2.gz DYFUPUJEFFJFHM-JOCQHMNTSA-N 1 0 336.388 2.941 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229897941 1312156648 /nfs/dbraw/zinc/15/66/48/1312156648.db2.gz APTVYDFHDFGSCE-YWVIFJGQSA-N 1 0 348.399 2.799 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001162728580 1312161862 /nfs/dbraw/zinc/16/18/62/1312161862.db2.gz CKGNRZLDBVOVHX-OAHLLOKOSA-N 1 0 341.383 2.585 20 5 EFBDRO COC(=O)c1cc(OC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC001229943967 1312162765 /nfs/dbraw/zinc/16/27/65/1312162765.db2.gz WEDSAZNYFIQXMK-UHFFFAOYSA-N 1 0 338.335 2.526 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162733827 1312163170 /nfs/dbraw/zinc/16/31/70/1312163170.db2.gz SJSWFTPEHMKGBW-OAHLLOKOSA-N 1 0 348.403 2.619 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1CCC([NH+](C)C)CC1 ZINC001229960288 1312163412 /nfs/dbraw/zinc/16/34/12/1312163412.db2.gz JRUZUHQFZZEQGZ-UHFFFAOYSA-N 1 0 336.388 2.941 20 5 EFBDRO Cc1ccc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001162795755 1312177935 /nfs/dbraw/zinc/17/79/35/1312177935.db2.gz ASRMWCQWVUFPTO-SQWLQELKSA-N 1 0 337.383 2.546 20 5 EFBDRO O=[N+]([O-])c1c2nsnc2ccc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162809655 1312180532 /nfs/dbraw/zinc/18/05/32/1312180532.db2.gz GGBIMQRNAOQKPD-UHFFFAOYSA-N 1 0 341.396 2.857 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162841700 1312188305 /nfs/dbraw/zinc/18/83/05/1312188305.db2.gz MSDOPDTVGCZBQE-LLVKDONJSA-N 1 0 345.790 2.937 20 5 EFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162914446 1312203161 /nfs/dbraw/zinc/20/31/61/1312203161.db2.gz UMHIXJVEMQWBJZ-SNVBAGLBSA-N 1 0 340.339 2.740 20 5 EFBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc([N+](=O)[O-])c3c2CNC3=O)c1 ZINC001162914901 1312203647 /nfs/dbraw/zinc/20/36/47/1312203647.db2.gz YJKIQXRPSPILOQ-SNVBAGLBSA-N 1 0 336.351 2.802 20 5 EFBDRO CCOc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001162965892 1312213909 /nfs/dbraw/zinc/21/39/09/1312213909.db2.gz BGAYHHLZRLYCAO-HNNXBMFYSA-N 1 0 349.431 2.954 20 5 EFBDRO COc1cccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162964964 1312213975 /nfs/dbraw/zinc/21/39/75/1312213975.db2.gz DAKMJVPPSMKPCJ-ZDUSSCGKSA-N 1 0 335.404 2.564 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001162970090 1312214676 /nfs/dbraw/zinc/21/46/76/1312214676.db2.gz IZWHZXMNHFWTGO-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981382 1312218052 /nfs/dbraw/zinc/21/80/52/1312218052.db2.gz CKVRSQLMKNYDSA-UHFFFAOYSA-N 1 0 332.191 2.636 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001163052327 1312232706 /nfs/dbraw/zinc/23/27/06/1312232706.db2.gz GOYTZRFRXUZEFD-AWEZNQCLSA-N 1 0 338.367 2.921 20 5 EFBDRO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001163123144 1312245798 /nfs/dbraw/zinc/24/57/98/1312245798.db2.gz ZBMSZIHKGPZKDM-UHFFFAOYSA-N 1 0 349.222 2.575 20 5 EFBDRO CC(F)(F)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163143091 1312250198 /nfs/dbraw/zinc/25/01/98/1312250198.db2.gz NNIZGSFLHZTZPS-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cc2)cc1 ZINC001163146737 1312251076 /nfs/dbraw/zinc/25/10/76/1312251076.db2.gz YSWGNUROUOLBEL-KZNAEPCWSA-N 1 0 325.368 2.661 20 5 EFBDRO Nc1[nH]c2ccc(O[C@H]3CCN(c4ccccc4[N+](=O)[O-])C3)cc2[nH+]1 ZINC001230516968 1312252753 /nfs/dbraw/zinc/25/27/53/1312252753.db2.gz VSYWSYXPUVSQDY-LBPRGKRZSA-N 1 0 339.355 2.711 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2ccccc21 ZINC001163175140 1312257558 /nfs/dbraw/zinc/25/75/58/1312257558.db2.gz CRQSQIGFMWBNPT-VFVRVIDISA-N 1 0 327.384 2.784 20 5 EFBDRO CCOc1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001163209427 1312264756 /nfs/dbraw/zinc/26/47/56/1312264756.db2.gz GUNUJCUHIFBMCB-ZBFHGGJFSA-N 1 0 328.372 2.904 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1OC(F)(F)F ZINC001163263126 1312276678 /nfs/dbraw/zinc/27/66/78/1312276678.db2.gz ZZDPUEURQCXJKH-MIMYLULJSA-N 1 0 331.294 2.903 20 5 EFBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163279266 1312281140 /nfs/dbraw/zinc/28/11/40/1312281140.db2.gz KXKHKTYOMFSJSS-SJKOYZFVSA-N 1 0 330.388 2.647 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc2cnccc21 ZINC001163284603 1312282363 /nfs/dbraw/zinc/28/23/63/1312282363.db2.gz MMUSDYHFVQKTQK-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308227 1312285849 /nfs/dbraw/zinc/28/58/49/1312285849.db2.gz CHSSGBKRPMROSY-DIFFPNOSSA-N 1 0 346.362 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308226 1312286232 /nfs/dbraw/zinc/28/62/32/1312286232.db2.gz CHSSGBKRPMROSY-APPDUMDISA-N 1 0 346.362 2.605 20 5 EFBDRO CC(C)(C)c1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310132 1312286468 /nfs/dbraw/zinc/28/64/68/1312286468.db2.gz KAHUOIWLHCHYEF-SUMWQHHRSA-N 1 0 334.420 2.610 20 5 EFBDRO Cc1ccc2c(ccnc2N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163309182 1312286627 /nfs/dbraw/zinc/28/66/27/1312286627.db2.gz GVJDCGBWRSPBLK-SCLBCKFNSA-N 1 0 342.399 2.774 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163327088 1312290249 /nfs/dbraw/zinc/29/02/49/1312290249.db2.gz IZCUYBUCMWOWTG-WYBPUXDHSA-N 1 0 337.807 2.910 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163360132 1312295545 /nfs/dbraw/zinc/29/55/45/1312295545.db2.gz BXIXPTWQOKDLPG-MWLCHTKSSA-N 1 0 327.816 2.877 20 5 EFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])c(C)c2C)cc1 ZINC001163468479 1312319048 /nfs/dbraw/zinc/31/90/48/1312319048.db2.gz WNVBXJMHTZSRAE-CQSZACIVSA-N 1 0 344.371 2.505 20 5 EFBDRO CN(CCC[NH+](C)C)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001163600515 1312344906 /nfs/dbraw/zinc/34/49/06/1312344906.db2.gz MSJKYWQYKGYWKC-UHFFFAOYSA-N 1 0 333.367 2.579 20 5 EFBDRO CC(=O)Cc1c(F)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001230794811 1312345920 /nfs/dbraw/zinc/34/59/20/1312345920.db2.gz VVYBLLVATQZGQJ-CLLJXQQHSA-N 1 0 336.363 2.869 20 5 EFBDRO COc1cc(C)nc(N2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163669833 1312358455 /nfs/dbraw/zinc/35/84/55/1312358455.db2.gz XBTSPKQYGKIFAH-HNNXBMFYSA-N 1 0 342.399 2.800 20 5 EFBDRO [NH3+]CCN(CCO)c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001163829883 1312390369 /nfs/dbraw/zinc/39/03/69/1312390369.db2.gz HHMKQOINRMUWFF-UHFFFAOYSA-N 1 0 332.407 2.694 20 5 EFBDRO O=C(/C=C\C1CC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163941097 1312411909 /nfs/dbraw/zinc/41/19/09/1312411909.db2.gz XSJDFTIRABOTHL-FPLPWBNLSA-N 1 0 343.427 2.937 20 5 EFBDRO Cc1cc(C[NH3+])nn1-c1cc(C)c(Br)cc1[N+](=O)[O-] ZINC001163985875 1312420681 /nfs/dbraw/zinc/42/06/81/1312420681.db2.gz HXNDETLIDFKTBW-UHFFFAOYSA-N 1 0 325.166 2.619 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)c21 ZINC001163989446 1312421645 /nfs/dbraw/zinc/42/16/45/1312421645.db2.gz BMQLYXQWRJMWES-HNNXBMFYSA-N 1 0 349.394 2.559 20 5 EFBDRO C[NH+](C)Cc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3c2)c1 ZINC001163994122 1312422485 /nfs/dbraw/zinc/42/24/85/1312422485.db2.gz DVHYSFUSVSHGAB-UHFFFAOYSA-N 1 0 325.372 2.916 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164070079 1312440716 /nfs/dbraw/zinc/44/07/16/1312440716.db2.gz NBGYUHMWMBREJM-KOLCDFICSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164068750 1312440847 /nfs/dbraw/zinc/44/08/47/1312440847.db2.gz HBRLIDTWSCOKSS-NXEZZACHSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164070083 1312440935 /nfs/dbraw/zinc/44/09/35/1312440935.db2.gz NBGYUHMWMBREJM-ONGXEEELSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164071402 1312441255 /nfs/dbraw/zinc/44/12/55/1312441255.db2.gz SPMIEPVPIBMNIJ-DTWKUNHWSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001164077052 1312442731 /nfs/dbraw/zinc/44/27/31/1312442731.db2.gz HDLCXNUOWWKNEE-AAEUAGOBSA-N 1 0 345.378 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001164077054 1312442761 /nfs/dbraw/zinc/44/27/61/1312442761.db2.gz HDLCXNUOWWKNEE-DGCLKSJQSA-N 1 0 345.378 2.755 20 5 EFBDRO Cc1cc(N2C[C@H](C)CC[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164080129 1312442925 /nfs/dbraw/zinc/44/29/25/1312442925.db2.gz ZQEGFXKANWQJEF-WBMJQRKESA-N 1 0 341.415 2.924 20 5 EFBDRO C[NH+]1CCC(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001231234098 1312459870 /nfs/dbraw/zinc/45/98/70/1312459870.db2.gz LDVPZOBFZJMFAK-UHFFFAOYSA-N 1 0 349.265 2.995 20 5 EFBDRO COc1ccc(-c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)cc1 ZINC001231253766 1312464094 /nfs/dbraw/zinc/46/40/94/1312464094.db2.gz BOTMVNCXJHRBKY-QGZVFWFLSA-N 1 0 344.431 2.725 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(-n3cnc4c3C[NH2+]CC4)c2c1 ZINC001164316971 1312491426 /nfs/dbraw/zinc/49/14/26/1312491426.db2.gz SSDFNKOWCSXKGW-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO CCCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001164407313 1312509453 /nfs/dbraw/zinc/50/94/53/1312509453.db2.gz CLAMPMSLNBUQNK-UHFFFAOYSA-N 1 0 344.415 2.785 20 5 EFBDRO [NH3+]CCON=c1nc(Oc2cccc([N+](=O)[O-])c2)c2sccc2[nH]1 ZINC001164415236 1312510202 /nfs/dbraw/zinc/51/02/02/1312510202.db2.gz RQGSDPZMJYEBQK-UHFFFAOYSA-N 1 0 347.356 2.694 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164462817 1312519040 /nfs/dbraw/zinc/51/90/40/1312519040.db2.gz UQLBWHXSPQZYOK-VHSXEESVSA-N 1 0 335.795 2.755 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C[NH3+])CC[C@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164468537 1312519791 /nfs/dbraw/zinc/51/97/91/1312519791.db2.gz SBJKAKLGFQWRBC-ZIAGYGMSSA-N 1 0 341.415 2.924 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1C1CC1 ZINC001164604539 1312548292 /nfs/dbraw/zinc/54/82/92/1312548292.db2.gz NTEHJTHXLKSZOY-UHFFFAOYSA-N 1 0 343.383 2.975 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164608737 1312549385 /nfs/dbraw/zinc/54/93/85/1312549385.db2.gz WJQCFJRMDVHZLA-CYBMUJFWSA-N 1 0 332.791 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164608716 1312549715 /nfs/dbraw/zinc/54/97/15/1312549715.db2.gz VREVYMJWBBTFJS-OAHLLOKOSA-N 1 0 349.394 2.559 20 5 EFBDRO COc1cc(C)nc(N2CCC(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001165064945 1312561837 /nfs/dbraw/zinc/56/18/37/1312561837.db2.gz DMMRHQHUTVHVST-UHFFFAOYSA-N 1 0 348.447 2.865 20 5 EFBDRO COc1nc(N2CCC(C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001165065134 1312561989 /nfs/dbraw/zinc/56/19/89/1312561989.db2.gz FHZXWLUKZNEBQT-UHFFFAOYSA-N 1 0 334.420 2.557 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001165087503 1312565195 /nfs/dbraw/zinc/56/51/95/1312565195.db2.gz CPGQPVDMXAJQMC-UHFFFAOYSA-N 1 0 345.856 2.681 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165089964 1312565835 /nfs/dbraw/zinc/56/58/35/1312565835.db2.gz WLFPZEPVKUJSKY-RHSMWYFYSA-N 1 0 342.374 2.840 20 5 EFBDRO CCc1cc(N2CC(C)([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165121704 1312572290 /nfs/dbraw/zinc/57/22/90/1312572290.db2.gz XMRDAZXJTOKLIA-UHFFFAOYSA-N 1 0 341.415 2.755 20 5 EFBDRO C[N@H+]1C[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@H]2C1 ZINC001165147497 1312577983 /nfs/dbraw/zinc/57/79/83/1312577983.db2.gz FPDPLTBJMCEGQE-PHIMTYICSA-N 1 0 332.791 2.794 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165185137 1312582265 /nfs/dbraw/zinc/58/22/65/1312582265.db2.gz UEDKAGDJGPQCDJ-ZANVPECISA-N 1 0 346.765 2.576 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165202998 1312585291 /nfs/dbraw/zinc/58/52/91/1312585291.db2.gz QYAYBLILXQGLHM-UONOGXRCSA-N 1 0 341.415 2.671 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c1C1CC1 ZINC001165221325 1312589879 /nfs/dbraw/zinc/58/98/79/1312589879.db2.gz LOJRVWBJMDEFPC-UHFFFAOYSA-N 1 0 348.428 2.772 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1C1CC1 ZINC001165221250 1312589971 /nfs/dbraw/zinc/58/99/71/1312589971.db2.gz GJOBGRRIJSYDAV-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165237352 1312593039 /nfs/dbraw/zinc/59/30/39/1312593039.db2.gz VUHCWAMKHKDDLI-CYBMUJFWSA-N 1 0 346.765 2.768 20 5 EFBDRO Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001165264279 1312598011 /nfs/dbraw/zinc/59/80/11/1312598011.db2.gz ABUBLCQMQKLMEN-CYBMUJFWSA-N 1 0 344.337 2.809 20 5 EFBDRO O=[N+]([O-])c1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001165264703 1312598160 /nfs/dbraw/zinc/59/81/60/1312598160.db2.gz HTWKUEZNGVCLKQ-GFCCVEGCSA-N 1 0 330.310 2.501 20 5 EFBDRO Clc1ccc2ccc3ccc(N4CCOCC45C[NH2+]C5)nc3c2n1 ZINC001165286837 1312602696 /nfs/dbraw/zinc/60/26/96/1312602696.db2.gz USUKGNZDIAYJGG-UHFFFAOYSA-N 1 0 340.814 2.615 20 5 EFBDRO Cc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165300833 1312605092 /nfs/dbraw/zinc/60/50/92/1312605092.db2.gz LAZSPQQJZZGODN-GFCCVEGCSA-N 1 0 344.337 2.952 20 5 EFBDRO O=[N+]([O-])c1cccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165304664 1312606379 /nfs/dbraw/zinc/60/63/79/1312606379.db2.gz QXIUAYFXMOEAKN-SNVBAGLBSA-N 1 0 330.310 2.643 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001165324345 1312608880 /nfs/dbraw/zinc/60/88/80/1312608880.db2.gz QQYVAHPBMGPKLU-KRWDZBQOSA-N 1 0 341.415 2.897 20 5 EFBDRO CCOc1nc(N2CCCC[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001165325004 1312609010 /nfs/dbraw/zinc/60/90/10/1312609010.db2.gz UFKUDPFGTVTSRB-AWEZNQCLSA-N 1 0 334.420 2.747 20 5 EFBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC001165330488 1312610536 /nfs/dbraw/zinc/61/05/36/1312610536.db2.gz ZKYNOSGAPXSZBY-YVEFUNNKSA-N 1 0 328.347 2.723 20 5 EFBDRO CCc1cc(N2CC[C@H]3C[C@@]3([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165330056 1312610585 /nfs/dbraw/zinc/61/05/85/1312610585.db2.gz WHGPUIXOTJWWPO-SCLBCKFNSA-N 1 0 339.399 2.542 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nc2c1 ZINC001165349866 1312613451 /nfs/dbraw/zinc/61/34/51/1312613451.db2.gz ICQRFJOIXUQNNP-MAUKXSAKSA-N 1 0 347.378 2.614 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165411853 1312624297 /nfs/dbraw/zinc/62/42/97/1312624297.db2.gz YMLYODTWQANEJZ-UHFFFAOYSA-N 1 0 347.806 2.627 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165433931 1312630221 /nfs/dbraw/zinc/63/02/21/1312630221.db2.gz OZIWZGRAEYIJOL-SWLSCSKDSA-N 1 0 330.363 2.656 20 5 EFBDRO C[N@H+](C1CN(Cc2ccc3ccc4cccnc4c3n2)C1)[C@H]1CCOC1 ZINC001232222900 1312651774 /nfs/dbraw/zinc/65/17/74/1312651774.db2.gz IGEGFHSHZCJNMU-SFHVURJKSA-N 1 0 348.450 2.688 20 5 EFBDRO CC1(C(N)=O)CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221905 1312651921 /nfs/dbraw/zinc/65/19/21/1312651921.db2.gz GIHDBCVALKFREJ-UHFFFAOYSA-N 1 0 334.423 2.870 20 5 EFBDRO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232223913 1312652114 /nfs/dbraw/zinc/65/21/14/1312652114.db2.gz VRMCTIIOLSFPAG-HXUWFJFHSA-N 1 0 348.406 2.857 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccc(F)c1 ZINC001019951522 1314547994 /nfs/dbraw/zinc/54/79/94/1314547994.db2.gz XMPIRKUTJWICOW-HDJSIYSDSA-N 1 0 349.387 2.846 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001246279991 1314605857 /nfs/dbraw/zinc/60/58/57/1314605857.db2.gz NHPGAGGZFHAFRS-KBXCAEBGSA-N 1 0 325.412 2.830 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020124356 1314621854 /nfs/dbraw/zinc/62/18/54/1314621854.db2.gz JYFCAKDAXQKYRS-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO CC[C@@]1(CN[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC001246454193 1314630523 /nfs/dbraw/zinc/63/05/23/1314630523.db2.gz AKUBLIDEMCPVRY-PXAZEXFGSA-N 1 0 339.411 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](C[NH3+])c2ccccc2)c1F ZINC001246507268 1314639326 /nfs/dbraw/zinc/63/93/26/1314639326.db2.gz MNQZZYZABAXHED-SWLSCSKDSA-N 1 0 347.390 2.963 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)CC[C@@H]2C[NH3+])c1F ZINC001246571464 1314650214 /nfs/dbraw/zinc/65/02/14/1314650214.db2.gz UJJCBCNNPRAFBG-RWMBFGLXSA-N 1 0 339.411 2.733 20 5 EFBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246572987 1314650343 /nfs/dbraw/zinc/65/03/43/1314650343.db2.gz VNWIKKJXXPAHSA-DZGCQCFKSA-N 1 0 343.349 2.808 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582736 1314652555 /nfs/dbraw/zinc/65/25/55/1314652555.db2.gz SPCWXQQVNUPKOI-SUMWQHHRSA-N 1 0 339.411 2.687 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582734 1314652572 /nfs/dbraw/zinc/65/25/72/1314652572.db2.gz SPCWXQQVNUPKOI-DYVFJYSZSA-N 1 0 339.411 2.687 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001246590449 1314653032 /nfs/dbraw/zinc/65/30/32/1314653032.db2.gz JIINIXPXDGYOMB-FRRDWIJNSA-N 1 0 339.411 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246603724 1314656257 /nfs/dbraw/zinc/65/62/57/1314656257.db2.gz RKRINUJZRCJEGH-QUCCMNQESA-N 1 0 337.423 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246603722 1314656340 /nfs/dbraw/zinc/65/63/40/1314656340.db2.gz RKRINUJZRCJEGH-AZUAARDMSA-N 1 0 337.423 2.579 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246626724 1314659939 /nfs/dbraw/zinc/65/99/39/1314659939.db2.gz HXZFFLCKYXFVCS-KDOFPFPSSA-N 1 0 333.432 2.610 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246683663 1314670556 /nfs/dbraw/zinc/67/05/56/1314670556.db2.gz BRCGGJKMKSRRRA-OCCSQVGLSA-N 1 0 339.411 2.603 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246683661 1314670925 /nfs/dbraw/zinc/67/09/25/1314670925.db2.gz BRCGGJKMKSRRRA-JSGCOSHPSA-N 1 0 339.411 2.603 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000119732965 1314696138 /nfs/dbraw/zinc/69/61/38/1314696138.db2.gz INSHMPCDXXGPLW-UHFFFAOYSA-N 1 0 344.459 2.780 20 5 EFBDRO CCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246854669 1314697550 /nfs/dbraw/zinc/69/75/50/1314697550.db2.gz QMYAVHIUQQXIGF-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO CC(C)(C)[NH+]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC001318267701 1328542400 /nfs/dbraw/zinc/54/24/00/1328542400.db2.gz NDSGWYPYPKOXOI-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906486 1314706494 /nfs/dbraw/zinc/70/64/94/1314706494.db2.gz BWTCKQCPIXQKQP-SJCJKPOMSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@@]2(C)CCC[NH2+]C2)c1F ZINC001246906484 1314706805 /nfs/dbraw/zinc/70/68/05/1314706805.db2.gz BWTCKQCPIXQKQP-PXAZEXFGSA-N 1 0 339.411 2.747 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246940247 1314711263 /nfs/dbraw/zinc/71/12/63/1314711263.db2.gz TZUACUAHRQGQGQ-DJIMGWMZSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)C1 ZINC001246940249 1314711642 /nfs/dbraw/zinc/71/16/42/1314711642.db2.gz TZUACUAHRQGQGQ-OIISXLGYSA-N 1 0 335.423 2.825 20 5 EFBDRO COc1ccc(C[C@H](C)N(C(C)C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246955834 1314714759 /nfs/dbraw/zinc/71/47/59/1314714759.db2.gz VLYWNJNXYIFQDS-GOEBONIOSA-N 1 0 335.448 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C(C)C)[C@H]2CC[NH2+]C2)c1F ZINC001246967775 1314717596 /nfs/dbraw/zinc/71/75/96/1314717596.db2.gz ONKFWSOUXWJXLB-STQMWFEESA-N 1 0 339.411 2.746 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020304188 1314722345 /nfs/dbraw/zinc/72/23/45/1314722345.db2.gz QYNNEUNQMNTYLD-QAQDUYKDSA-N 1 0 339.395 2.574 20 5 EFBDRO COCCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246979781 1314722601 /nfs/dbraw/zinc/72/26/01/1314722601.db2.gz PPZDYSVEFNKQEL-IEBWSBKVSA-N 1 0 347.459 2.543 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001247016389 1314731409 /nfs/dbraw/zinc/73/14/09/1314731409.db2.gz UPHSETHNEAINTP-QRTARXTBSA-N 1 0 333.432 2.608 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001215374701 1314826472 /nfs/dbraw/zinc/82/64/72/1314826472.db2.gz XODCLVAZXGZPQK-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO CC1(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C1 ZINC001247723497 1314829199 /nfs/dbraw/zinc/82/91/99/1314829199.db2.gz IXAZXCOARNHEJE-UHFFFAOYSA-N 1 0 331.379 2.985 20 5 EFBDRO C[NH+](C)Cc1cccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001216048012 1314905611 /nfs/dbraw/zinc/90/56/11/1314905611.db2.gz PDVAFHSSMWHHRY-UHFFFAOYSA-N 1 0 343.318 2.908 20 5 EFBDRO C[NH2+]Cc1cccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c1F ZINC001216226041 1314929686 /nfs/dbraw/zinc/92/96/86/1314929686.db2.gz JRZQFCQQVFVQCH-UHFFFAOYSA-N 1 0 348.381 2.931 20 5 EFBDRO COc1ccc(Nc2c[nH+]ccc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC001248470699 1314937765 /nfs/dbraw/zinc/93/77/65/1314937765.db2.gz VKCQDMTVAUQNKS-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO Cc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c([N+](=O)[O-])c1 ZINC001216831650 1315013044 /nfs/dbraw/zinc/01/30/44/1315013044.db2.gz WCKRNACOQOFNRF-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO C[C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001249070334 1315016177 /nfs/dbraw/zinc/01/61/77/1315016177.db2.gz HGJRLVGLZJXAEC-OPRDCNLKSA-N 1 0 335.339 2.671 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CO[C@@H]4CC[NH2+]C4)n3)nc12 ZINC001249272473 1315042830 /nfs/dbraw/zinc/04/28/30/1315042830.db2.gz ZSOSRDNTXRVRDW-CQSZACIVSA-N 1 0 347.378 2.712 20 5 EFBDRO Cc1cc(C)c(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC001249279287 1315044107 /nfs/dbraw/zinc/04/41/07/1315044107.db2.gz XEJYEACNTKNOSP-OAHLLOKOSA-N 1 0 339.355 2.899 20 5 EFBDRO Cc1ccnc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249279288 1315044233 /nfs/dbraw/zinc/04/42/33/1315044233.db2.gz XFZDTKMBVNNZRV-CYBMUJFWSA-N 1 0 325.328 2.591 20 5 EFBDRO Cc1cccnc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278004 1315044583 /nfs/dbraw/zinc/04/45/83/1315044583.db2.gz BXWYOHVXEVQPSL-CYBMUJFWSA-N 1 0 325.328 2.591 20 5 EFBDRO Cc1cccc([C@H]([NH3+])Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001249339399 1315056275 /nfs/dbraw/zinc/05/62/75/1315056275.db2.gz TWDNOOWFXLKQKU-GFCCVEGCSA-N 1 0 343.318 2.730 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217944525 1315122903 /nfs/dbraw/zinc/12/29/03/1315122903.db2.gz FGBQGNOLTCPIOX-GXSJLCMTSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)ccc1Br ZINC001217945594 1315123318 /nfs/dbraw/zinc/12/33/18/1315123318.db2.gz KYCMRRMFYAYEAG-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217957997 1315125265 /nfs/dbraw/zinc/12/52/65/1315125265.db2.gz AEBPZPWALPDZQL-FZMZJTMJSA-N 1 0 340.351 2.629 20 5 EFBDRO C[NH2+][C@H]1C[C@@H](Oc2c(Br)cc3c(c2[N+](=O)[O-])CCC3)C1 ZINC001217957748 1315125295 /nfs/dbraw/zinc/12/52/95/1315125295.db2.gz SSMPTZTXFVSMLT-AOOOYVTPSA-N 1 0 341.205 2.975 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217971028 1315127124 /nfs/dbraw/zinc/12/71/24/1315127124.db2.gz DKNUJPCUHSGWEV-ONGXEEELSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973133 1315127827 /nfs/dbraw/zinc/12/78/27/1315127827.db2.gz CKOHJTHIAIDKJX-SECBINFHSA-N 1 0 331.166 2.584 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217973331 1315127972 /nfs/dbraw/zinc/12/79/72/1315127972.db2.gz BGKRKPGZUXMUBE-CABZTGNLSA-N 1 0 338.257 2.962 20 5 EFBDRO Cc1nc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981029 1315128458 /nfs/dbraw/zinc/12/84/58/1315128458.db2.gz NVGKVJWPHOJJLX-GXSJLCMTSA-N 1 0 348.172 2.530 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1[N+](=O)[O-] ZINC001217983663 1315128883 /nfs/dbraw/zinc/12/88/83/1315128883.db2.gz WTLSDNLCDVOJMU-UWVGGRQHSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@H]3C[NH2+]CCC[C@H]3F)[nH]c2cc1Cl ZINC001217981117 1315129217 /nfs/dbraw/zinc/12/92/17/1315129217.db2.gz OLCITZHKTLFKBW-PELKAZGASA-N 1 0 328.731 2.593 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]CC[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218025743 1315135394 /nfs/dbraw/zinc/13/53/94/1315135394.db2.gz VHDWZDYHOKRRQU-PELKAZGASA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001218068682 1315142173 /nfs/dbraw/zinc/14/21/73/1315142173.db2.gz FPDBRMQBWWLSHH-KOLCDFICSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)cc2)cc1 ZINC001218075335 1315144736 /nfs/dbraw/zinc/14/47/36/1315144736.db2.gz YOSXQJKWGPDIJC-HKUYNNGSSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)cc2)c1 ZINC001218079258 1315145690 /nfs/dbraw/zinc/14/56/90/1315145690.db2.gz XDNGRVALEYIQHA-HKUYNNGSSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218092019 1315146657 /nfs/dbraw/zinc/14/66/57/1315146657.db2.gz QHLYGJLICFWIDV-WCQYABFASA-N 1 0 331.294 2.920 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218088400 1315147044 /nfs/dbraw/zinc/14/70/44/1315147044.db2.gz DRXOIHYLCOIBJA-WBVHZDCISA-N 1 0 334.372 2.683 20 5 EFBDRO Cc1cc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218148356 1315155127 /nfs/dbraw/zinc/15/51/27/1315155127.db2.gz WCSJZXZZZKBVFI-WOFXILAISA-N 1 0 327.178 2.652 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218322692 1315179071 /nfs/dbraw/zinc/17/90/71/1315179071.db2.gz SPDZPAFOVSDRFI-KOLCDFICSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C=CC[NH2+]C1)CCC2 ZINC001218334079 1315180891 /nfs/dbraw/zinc/18/08/91/1315180891.db2.gz LBLJPGQPOSVDSO-SNVBAGLBSA-N 1 0 339.189 2.753 20 5 EFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[NH2+][C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218385794 1315187215 /nfs/dbraw/zinc/18/72/15/1315187215.db2.gz LQAGAEHRMUVMGZ-MEDUHNTESA-N 1 0 342.351 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218398354 1315190098 /nfs/dbraw/zinc/19/00/98/1315190098.db2.gz DOCVCLKRKVGRFL-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO Cc1nc(O[C@H]2CC[C@@H](C)[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218408208 1315191829 /nfs/dbraw/zinc/19/18/29/1315191829.db2.gz ULVIJIIDMRTBGC-APPZFPTMSA-N 1 0 330.182 2.580 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000749154104 1315193811 /nfs/dbraw/zinc/19/38/11/1315193811.db2.gz ODWDQAAQUOMDLL-UHFFFAOYSA-N 1 0 347.346 2.813 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1[N+](=O)[O-] ZINC001218444542 1315196217 /nfs/dbraw/zinc/19/62/17/1315196217.db2.gz JXDODVYWTFTULY-JQEORGNBSA-N 1 0 327.178 2.795 20 5 EFBDRO Cc1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218443462 1315196503 /nfs/dbraw/zinc/19/65/03/1315196503.db2.gz AOQCMOIENIZAAI-JQEORGNBSA-N 1 0 327.178 2.795 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)ccc1Br ZINC001218458017 1315199618 /nfs/dbraw/zinc/19/96/18/1315199618.db2.gz BYZZYKHLNPRRKC-GMOODISLSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(F)cc1Br ZINC001218460771 1315199789 /nfs/dbraw/zinc/19/97/89/1315199789.db2.gz NUVDGLZMYWNAQL-RGNHYFCHSA-N 1 0 345.168 2.873 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1Br ZINC001218477702 1315202528 /nfs/dbraw/zinc/20/25/28/1315202528.db2.gz DGJLQXAYIVGZJP-VIFPVBQESA-N 1 0 344.209 2.970 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001218481226 1315203016 /nfs/dbraw/zinc/20/30/16/1315203016.db2.gz NGWBGGQBFMUEIG-QGHHPUGFSA-N 1 0 341.363 2.734 20 5 EFBDRO COC(=O)c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218491600 1315204834 /nfs/dbraw/zinc/20/48/34/1315204834.db2.gz VLMHMRHTJHGFOH-MRXNPFEDSA-N 1 0 328.324 2.605 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1nnco1 ZINC001218500389 1315206014 /nfs/dbraw/zinc/20/60/14/1315206014.db2.gz ABTXRCSCVKDJHQ-KRWDZBQOSA-N 1 0 332.363 2.885 20 5 EFBDRO Nc1cn(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)nc1N ZINC001218627273 1315223304 /nfs/dbraw/zinc/22/33/04/1315223304.db2.gz QNXQYNAGURBPJL-KRWDZBQOSA-N 1 0 345.406 2.564 20 5 EFBDRO Cn1ncc(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)n1 ZINC001218625852 1315223325 /nfs/dbraw/zinc/22/33/25/1315223325.db2.gz IPDBHPMNJSEOKZ-SFHVURJKSA-N 1 0 345.406 2.630 20 5 EFBDRO COc1c(O)ccc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c1[N+](=O)[O-] ZINC001250980493 1315305719 /nfs/dbraw/zinc/30/57/19/1315305719.db2.gz OXNVNJMARBULKF-UHFFFAOYSA-N 1 0 342.355 2.914 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001318412975 1328579597 /nfs/dbraw/zinc/57/95/97/1328579597.db2.gz JTCGOSVSKQVBNK-DZGCQCFKSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001219666643 1315334049 /nfs/dbraw/zinc/33/40/49/1315334049.db2.gz LQNUOOGDZXIFLE-KGLIPLIRSA-N 1 0 334.423 2.758 20 5 EFBDRO CCNc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251762144 1315376384 /nfs/dbraw/zinc/37/63/84/1315376384.db2.gz YCVXUONNVJFTQY-LSDHHAIUSA-N 1 0 334.420 2.629 20 5 EFBDRO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)c1cccc2nc3ccccc3nc21 ZINC001221408624 1315522620 /nfs/dbraw/zinc/52/26/20/1315522620.db2.gz BKRUEFNDBZQNQS-IBGZPJMESA-N 1 0 346.434 2.901 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001318441377 1328591759 /nfs/dbraw/zinc/59/17/59/1328591759.db2.gz ZQWJTRSLIDNINX-MAZHCROVSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@]1(O)CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254464869 1315706572 /nfs/dbraw/zinc/70/65/72/1315706572.db2.gz LFQNRACXFGAUHZ-PPUGGXLSSA-N 1 0 333.432 2.847 20 5 EFBDRO COC(CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC001254470058 1315706827 /nfs/dbraw/zinc/70/68/27/1315706827.db2.gz NGBKRXBYAZILMU-UHFFFAOYSA-N 1 0 337.420 2.552 20 5 EFBDRO CCOC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467547 1315706879 /nfs/dbraw/zinc/70/68/79/1315706879.db2.gz BHXWZOSAVDHDRZ-UHFFFAOYSA-N 1 0 349.431 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccnn3CCF)CC2)cc1 ZINC001254470421 1315706908 /nfs/dbraw/zinc/70/69/08/1315706908.db2.gz MESKWEKJHKNWBO-UHFFFAOYSA-N 1 0 347.394 2.519 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@]1(C)O ZINC001254473842 1315707405 /nfs/dbraw/zinc/70/74/05/1315707405.db2.gz ILFVRVOZURFGOT-KSSFIOAISA-N 1 0 333.432 2.656 20 5 EFBDRO CCN(CC)CC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476309 1315707588 /nfs/dbraw/zinc/70/75/88/1315707588.db2.gz NPWBSEBEXDDFRC-UHFFFAOYSA-N 1 0 334.464 2.837 20 5 EFBDRO CCOC(=O)CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472818 1315707715 /nfs/dbraw/zinc/70/77/15/1315707715.db2.gz PMLBRFDWGPYFOS-UHFFFAOYSA-N 1 0 347.415 2.639 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480214 1315707935 /nfs/dbraw/zinc/70/79/35/1315707935.db2.gz YHEIQHAWGRJAGB-IBGZPJMESA-N 1 0 346.475 2.980 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCCC34COC4)CC2)cc1 ZINC001254478612 1315708032 /nfs/dbraw/zinc/70/80/32/1315708032.db2.gz HZCBCICNUIQBGN-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC4(COC4)CC3)CC2)cc1 ZINC001254476920 1315708240 /nfs/dbraw/zinc/70/82/40/1315708240.db2.gz XEAIGZSZBBBENI-UHFFFAOYSA-N 1 0 331.416 2.676 20 5 EFBDRO CC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479773 1315708290 /nfs/dbraw/zinc/70/82/90/1315708290.db2.gz KYZIHHQPGIWIGR-UHFFFAOYSA-N 1 0 331.416 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCOCC34CCC4)CC2)cc1 ZINC001254479473 1315708454 /nfs/dbraw/zinc/70/84/54/1315708454.db2.gz APKPLXVOHBRHLG-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481525 1315708657 /nfs/dbraw/zinc/70/86/57/1315708657.db2.gz WZAOFSVWFMRRSD-QGZVFWFLSA-N 1 0 333.432 2.799 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccco1 ZINC001001108435 1315712343 /nfs/dbraw/zinc/71/23/43/1315712343.db2.gz CLYIZAFXPFEQOW-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC001254532250 1315720025 /nfs/dbraw/zinc/72/00/25/1315720025.db2.gz LZXTWRGBZVWRIN-GFCCVEGCSA-N 1 0 335.404 2.735 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC001254533034 1315720892 /nfs/dbraw/zinc/72/08/92/1315720892.db2.gz IXRBQOWRQUGDID-CYBMUJFWSA-N 1 0 337.420 2.982 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001254539983 1315721071 /nfs/dbraw/zinc/72/10/71/1315721071.db2.gz NUOWDJDJLBESHI-GFCCVEGCSA-N 1 0 338.371 2.511 20 5 EFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254541240 1315721630 /nfs/dbraw/zinc/72/16/30/1315721630.db2.gz ZSAUMXBTENDJQW-YOEHRIQHSA-N 1 0 344.411 2.728 20 5 EFBDRO COc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254540988 1315721773 /nfs/dbraw/zinc/72/17/73/1315721773.db2.gz XTDURRUERSJVOW-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001254542801 1315721887 /nfs/dbraw/zinc/72/18/87/1315721887.db2.gz BBVMDYMTDFPOPJ-KBRIMQKVSA-N 1 0 345.443 2.953 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC001254540703 1315721892 /nfs/dbraw/zinc/72/18/92/1315721892.db2.gz ULEIDGOKBUCWGM-IFXJQAMLSA-N 1 0 342.395 2.786 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)COCc1ccccc1 ZINC001254543506 1315721914 /nfs/dbraw/zinc/72/19/14/1315721914.db2.gz SMIFKPPVYQBFPA-QAPCUYQASA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1CCOCC1)C(C)(C)C ZINC001254548396 1315722275 /nfs/dbraw/zinc/72/22/75/1315722275.db2.gz IJIDNIPEQDBLIS-CRAIPNDOSA-N 1 0 349.475 2.862 20 5 EFBDRO CC(C)NC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254549729 1315722601 /nfs/dbraw/zinc/72/26/01/1315722601.db2.gz YEHXVYVJIYZFJZ-AWEZNQCLSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001254553476 1315722897 /nfs/dbraw/zinc/72/28/97/1315722897.db2.gz VQPVPQSWRWAHNV-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2ccnn2)cc1 ZINC001254549829 1315722905 /nfs/dbraw/zinc/72/29/05/1315722905.db2.gz XJKMREBRJMRXDU-AWEZNQCLSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001254550353 1315722907 /nfs/dbraw/zinc/72/29/07/1315722907.db2.gz HZPQEWMZDZYXNJ-XJKSGUPXSA-N 1 0 329.400 2.673 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001254560012 1315723233 /nfs/dbraw/zinc/72/32/33/1315723233.db2.gz OQUBVSCNLCWWOY-CYBMUJFWSA-N 1 0 333.432 2.749 20 5 EFBDRO CCN1CC[C@@]2(C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C)C1=O ZINC001254560367 1315723303 /nfs/dbraw/zinc/72/33/03/1315723303.db2.gz FMGNFVOUTLYTAF-KHYOSLBOSA-N 1 0 345.443 2.716 20 5 EFBDRO CCN1CC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)C1=O ZINC001254559384 1315723389 /nfs/dbraw/zinc/72/33/89/1315723389.db2.gz XIQMEMFBGVLIEW-BEFAXECRSA-N 1 0 345.443 2.860 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)(CC1)CC2 ZINC001254564918 1315724485 /nfs/dbraw/zinc/72/44/85/1315724485.db2.gz BNZWSMRKJWZQOH-VNCLNFNDSA-N 1 0 344.411 2.918 20 5 EFBDRO CCN1CCC2(CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC001254566270 1315724600 /nfs/dbraw/zinc/72/46/00/1315724600.db2.gz SFGCGHLPGYNBSF-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC001254565331 1315724625 /nfs/dbraw/zinc/72/46/25/1315724625.db2.gz DGYUWGUOUDOHCL-OAHLLOKOSA-N 1 0 328.368 2.869 20 5 EFBDRO CN(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254564874 1315724711 /nfs/dbraw/zinc/72/47/11/1315724711.db2.gz BESFLFUMTOZDJI-AWEZNQCLSA-N 1 0 335.404 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1[C@@H]3C[C@@H]4C[C@H]1C[C@](O)(C3)C4)C2 ZINC001254568347 1315724717 /nfs/dbraw/zinc/72/47/17/1315724717.db2.gz SUQVVPXVBGUCBP-LJTKAQPESA-N 1 0 328.412 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001254567463 1315724730 /nfs/dbraw/zinc/72/47/30/1315724730.db2.gz ONADHDZSQBJDJM-MOPGFXCFSA-N 1 0 337.423 2.926 20 5 EFBDRO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254568343 1315724913 /nfs/dbraw/zinc/72/49/13/1315724913.db2.gz SSUIXFQOYLAFTB-WLYUNCDWSA-N 1 0 347.415 2.707 20 5 EFBDRO Cc1cnc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC001254569831 1315725139 /nfs/dbraw/zinc/72/51/39/1315725139.db2.gz LFQCPOIIWRHRMD-ZBFHGGJFSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001254569092 1315725464 /nfs/dbraw/zinc/72/54/64/1315725464.db2.gz HTGKSGBHCDTQCK-GDBMZVCRSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ccncn1)C1CC[NH2+]CC1 ZINC001254570901 1315725648 /nfs/dbraw/zinc/72/56/48/1315725648.db2.gz QPDCSOIXMQLVLW-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO COc1ccc(OC)c(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254569827 1315725682 /nfs/dbraw/zinc/72/56/82/1315725682.db2.gz ZKCWFTNLWZEDIY-OAHLLOKOSA-N 1 0 328.368 2.869 20 5 EFBDRO COc1cccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC001254573061 1315725958 /nfs/dbraw/zinc/72/59/58/1315725958.db2.gz WEFCBXHPSVKZNR-MRXNPFEDSA-N 1 0 342.395 2.912 20 5 EFBDRO COC(=O)c1ccccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573024 1315726028 /nfs/dbraw/zinc/72/60/28/1315726028.db2.gz VNRCAXDZBZRJGG-HNNXBMFYSA-N 1 0 326.352 2.638 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@]13C[C@H]4C[C@@H](C1)C[C@](O)(C4)C3)C2 ZINC001254573504 1315726060 /nfs/dbraw/zinc/72/60/60/1315726060.db2.gz AWGKODRVYMCYHX-FQHNVQKISA-N 1 0 328.412 2.735 20 5 EFBDRO COc1ccccc1OCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571950 1315726190 /nfs/dbraw/zinc/72/61/90/1315726190.db2.gz FAQLUMCFJGYROY-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1Cl)C2 ZINC001254577017 1315726346 /nfs/dbraw/zinc/72/63/46/1315726346.db2.gz BHRXURZQEFKRIF-JKSUJKDBSA-N 1 0 346.814 2.909 20 5 EFBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579398 1315726433 /nfs/dbraw/zinc/72/64/33/1315726433.db2.gz RLERZEISDXHAQI-RCBQFDQVSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccnc1N1CCCC1)C2 ZINC001254579375 1315726465 /nfs/dbraw/zinc/72/64/65/1315726465.db2.gz QSRGWHKYURWPEW-QGZVFWFLSA-N 1 0 338.411 2.847 20 5 EFBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579399 1315726498 /nfs/dbraw/zinc/72/64/98/1315726498.db2.gz RLERZEISDXHAQI-UHOFOFEASA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc(OC3CCC3)n1)C2 ZINC001254585233 1315727707 /nfs/dbraw/zinc/72/77/07/1315727707.db2.gz BZUWZPHMNXYVNR-OAHLLOKOSA-N 1 0 340.383 2.573 20 5 EFBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588676 1315727830 /nfs/dbraw/zinc/72/78/30/1315727830.db2.gz HQJVLDYIIQMUSW-PYEURXAXSA-N 1 0 344.411 2.629 20 5 EFBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587905 1315727853 /nfs/dbraw/zinc/72/78/53/1315727853.db2.gz CEORYQAWWZEDFF-BBRMVZONSA-N 1 0 326.352 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cn(CC(F)(F)F)cn1)C2 ZINC001254586490 1315727857 /nfs/dbraw/zinc/72/78/57/1315727857.db2.gz KJLOQIPFKWWXCF-GFCCVEGCSA-N 1 0 340.305 2.611 20 5 EFBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585728 1315727908 /nfs/dbraw/zinc/72/79/08/1315727908.db2.gz NPYYLOQAFUIICS-MBVDDHJVSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OC3CCC3)ncn1)C2 ZINC001254588318 1315727980 /nfs/dbraw/zinc/72/79/80/1315727980.db2.gz XWZHSHMQGWGTGN-AWEZNQCLSA-N 1 0 340.383 2.573 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585838 1315728083 /nfs/dbraw/zinc/72/80/83/1315728083.db2.gz GXHJPMKJJIIJDG-FVQBIDKESA-N 1 0 332.400 2.774 20 5 EFBDRO CCOC(=O)CC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593188 1315728276 /nfs/dbraw/zinc/72/82/76/1315728276.db2.gz JQQHNEBEBZLIPJ-KRWDZBQOSA-N 1 0 332.400 2.727 20 5 EFBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588877 1315728669 /nfs/dbraw/zinc/72/86/69/1315728669.db2.gz JSLPSXYNFRVRFS-BHYGNILZSA-N 1 0 332.400 2.774 20 5 EFBDRO CCc1ncnc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254596871 1315728943 /nfs/dbraw/zinc/72/89/43/1315728943.db2.gz SHXYCXNAIPSENN-MRXNPFEDSA-N 1 0 338.411 2.515 20 5 EFBDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596217 1315729003 /nfs/dbraw/zinc/72/90/03/1315729003.db2.gz MMYCTOUYEYHRSJ-CEXWTWQISA-N 1 0 346.427 2.722 20 5 EFBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599073 1315729011 /nfs/dbraw/zinc/72/90/11/1315729011.db2.gz ZXRGNTOZWGZTTG-IPMKNSEASA-N 1 0 346.427 2.580 20 5 EFBDRO CC[C@@H]1[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2 ZINC001254596162 1315729032 /nfs/dbraw/zinc/72/90/32/1315729032.db2.gz PCIHNURMXSAXLM-AOIWGVFYSA-N 1 0 343.427 2.585 20 5 EFBDRO Cc1cccc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254596076 1315729054 /nfs/dbraw/zinc/72/90/54/1315729054.db2.gz BQGRJAYFQJZDGE-GOSISDBHSA-N 1 0 338.411 2.588 20 5 EFBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597350 1315729158 /nfs/dbraw/zinc/72/91/58/1315729158.db2.gz HRTWXSHPGAUTEN-HNNXBMFYSA-N 1 0 335.404 2.519 20 5 EFBDRO CN(CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254596425 1315729223 /nfs/dbraw/zinc/72/92/23/1315729223.db2.gz DNXJAKYJXBXIIJ-MRXNPFEDSA-N 1 0 349.431 2.861 20 5 EFBDRO O=C([C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599954 1315729544 /nfs/dbraw/zinc/72/95/44/1315729544.db2.gz NEXUDBWLVWFHPI-MSOLQXFVSA-N 1 0 343.427 2.539 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600851 1315729955 /nfs/dbraw/zinc/72/99/55/1315729955.db2.gz VYXVQDRQVGNOMN-CQSZACIVSA-N 1 0 332.400 2.774 20 5 EFBDRO COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609609 1315730947 /nfs/dbraw/zinc/73/09/47/1315730947.db2.gz YCMKEVBGCIVBDO-SFHVURJKSA-N 1 0 338.363 2.864 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]([NH+]3CCCCC3)[C@@H](F)C1)C2 ZINC001254610563 1315731042 /nfs/dbraw/zinc/73/10/42/1315731042.db2.gz NMNBDFFDQPXVLR-QYZOEREBSA-N 1 0 347.434 2.960 20 5 EFBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254609949 1315731183 /nfs/dbraw/zinc/73/11/83/1315731183.db2.gz GINZWZJFIYQNNN-SUNYJGFJSA-N 1 0 346.427 2.973 20 5 EFBDRO CCC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C(C)=O)CC1 ZINC001254609829 1315731231 /nfs/dbraw/zinc/73/12/31/1315731231.db2.gz YZBWMJHIMFBCEB-LJQANCHMSA-N 1 0 345.443 2.785 20 5 EFBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254609947 1315731371 /nfs/dbraw/zinc/73/13/71/1315731371.db2.gz GINZWZJFIYQNNN-GLJUWKHASA-N 1 0 346.427 2.973 20 5 EFBDRO Cc1cccnc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612060 1315731822 /nfs/dbraw/zinc/73/18/22/1315731822.db2.gz USWGDGNGRAFCKW-ROUUACIJSA-N 1 0 339.395 2.919 20 5 EFBDRO C[NH+]1CCN(c2cc(-c3nnc(C4CCC4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001255257347 1315797050 /nfs/dbraw/zinc/79/70/50/1315797050.db2.gz KAJKUOFRBCAVED-UHFFFAOYSA-N 1 0 343.387 2.664 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001039583331 1315879129 /nfs/dbraw/zinc/87/91/29/1315879129.db2.gz MSEVDZFCUKPXFZ-XMTFNYHQSA-N 1 0 349.475 2.687 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318478944 1328611213 /nfs/dbraw/zinc/61/12/13/1328611213.db2.gz BLHBGVBANICRKS-QWHCGFSZSA-N 1 0 337.445 2.919 20 5 EFBDRO COC[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256093906 1315904245 /nfs/dbraw/zinc/90/42/45/1315904245.db2.gz SIWYDBQRHNWIBY-MRXNPFEDSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH+]3CC([C@@H](C)OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101483 1315905154 /nfs/dbraw/zinc/90/51/54/1315905154.db2.gz KJKOKWHDZBWBTA-CYBMUJFWSA-N 1 0 349.431 2.539 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(-c2nnc(CC[NH+]3CCC(C)CC3)o2)c1 ZINC001257897400 1316101464 /nfs/dbraw/zinc/10/14/64/1316101464.db2.gz YESQSUJMTKYJHO-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261285256 1316402211 /nfs/dbraw/zinc/40/22/11/1316402211.db2.gz WMLPNCIRJHDNAI-UHFFFAOYSA-N 1 0 346.431 2.886 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001261439679 1316412226 /nfs/dbraw/zinc/41/22/26/1316412226.db2.gz SKCSXHJAYPXVBS-AWEZNQCLSA-N 1 0 341.415 2.753 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC001261647889 1316422594 /nfs/dbraw/zinc/42/25/94/1316422594.db2.gz LLADWCJQSIRIBU-CYBMUJFWSA-N 1 0 335.404 2.915 20 5 EFBDRO C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC001262812073 1316493343 /nfs/dbraw/zinc/49/33/43/1316493343.db2.gz JSXNWTFNGMZLLB-ZDUSSCGKSA-N 1 0 346.431 2.721 20 5 EFBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001263257200 1316524385 /nfs/dbraw/zinc/52/43/85/1316524385.db2.gz OKLFIAQKTKHMRP-BLLLJJGKSA-N 1 0 337.807 2.521 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001319007337 1328762781 /nfs/dbraw/zinc/76/27/81/1328762781.db2.gz LHDNBDRWQTWNLZ-AWEZNQCLSA-N 1 0 346.431 2.727 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC001319404373 1328873906 /nfs/dbraw/zinc/87/39/06/1328873906.db2.gz NGSRCEXEUGVIKP-WCQYABFASA-N 1 0 335.433 2.821 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001319763192 1328979910 /nfs/dbraw/zinc/97/99/10/1328979910.db2.gz LSYDIGJIANJRHH-XYPHTWIQSA-N 1 0 348.447 2.774 20 5 EFBDRO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001320025901 1329058465 /nfs/dbraw/zinc/05/84/65/1329058465.db2.gz JGMZLRWJKJVGAP-ZDUSSCGKSA-N 1 0 341.367 2.671 20 5 EFBDRO CSc1cccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001320452875 1329134903 /nfs/dbraw/zinc/13/49/03/1329134903.db2.gz DSYXLXRQOANNGB-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001320857460 1329311340 /nfs/dbraw/zinc/31/13/40/1329311340.db2.gz LSVMICIDPZSZHF-STQMWFEESA-N 1 0 336.392 2.598 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001320947218 1329323101 /nfs/dbraw/zinc/32/31/01/1329323101.db2.gz TWYZUHZWMWYDJJ-HUUCEWRRSA-N 1 0 336.388 2.813 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC001321205874 1329356823 /nfs/dbraw/zinc/35/68/23/1329356823.db2.gz XDNIUUOGHCFWGJ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001317969967 1328462139 /nfs/dbraw/zinc/46/21/39/1328462139.db2.gz KMQXSOLIBGJFPA-MGPQQGTHSA-N 1 0 348.447 2.733 20 5 EFBDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001322405049 1329456341 /nfs/dbraw/zinc/45/63/41/1329456341.db2.gz UTFQXJZFEAWXMH-UHFFFAOYSA-N 1 0 340.383 2.599 20 5 EFBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001322418698 1329457292 /nfs/dbraw/zinc/45/72/92/1329457292.db2.gz YCMBKWRBOPXOFL-KRWDZBQOSA-N 1 0 333.432 2.860 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001322680327 1329478863 /nfs/dbraw/zinc/47/88/63/1329478863.db2.gz HQDOMILUGVDADL-GOEBONIOSA-N 1 0 346.431 2.772 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C(C)(C)C)CC1 ZINC001322678931 1329479030 /nfs/dbraw/zinc/47/90/30/1329479030.db2.gz WHUILIYYQGTNOK-UHFFFAOYSA-N 1 0 335.404 2.610 20 5 EFBDRO CC1CC[NH+](CCc2nnc(-c3ccc(N)c([N+](=O)[O-])c3)o2)CC1 ZINC001322932840 1329498984 /nfs/dbraw/zinc/49/89/84/1329498984.db2.gz YMQZNLIEBIDYKK-UHFFFAOYSA-N 1 0 331.376 2.501 20 5 EFBDRO C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001323272814 1329529561 /nfs/dbraw/zinc/52/95/61/1329529561.db2.gz BSFNBZYSKKMJTL-KGLIPLIRSA-N 1 0 346.431 2.740 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001323716244 1329564433 /nfs/dbraw/zinc/56/44/33/1329564433.db2.gz WRARALAROBGJNY-MELADBBJSA-N 1 0 340.445 2.550 20 5 EFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001324149760 1329603557 /nfs/dbraw/zinc/60/35/57/1329603557.db2.gz DUTMRJQWLYAWDP-JTQLQIEISA-N 1 0 329.194 2.968 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCOC3)C2)c(Br)c1 ZINC001324150599 1329603562 /nfs/dbraw/zinc/60/35/62/1329603562.db2.gz KKRRNQBCVNJWQZ-CQSZACIVSA-N 1 0 341.205 2.970 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001324494458 1329632939 /nfs/dbraw/zinc/63/29/39/1329632939.db2.gz HQUJIMMMBLLYBI-NSHDSACASA-N 1 0 335.379 2.599 20 5 EFBDRO COc1ccc(OC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001324548404 1329638062 /nfs/dbraw/zinc/63/80/62/1329638062.db2.gz PSVQHVHUGPPAIB-UHFFFAOYSA-N 1 0 327.296 2.779 20 5 EFBDRO CC(C)(CCC(=O)N(CC[NH+]1CCCC1)c1ccccc1)[N+](=O)[O-] ZINC001324702383 1329652622 /nfs/dbraw/zinc/65/26/22/1329652622.db2.gz KBSXXJFPLSUFSW-UHFFFAOYSA-N 1 0 333.432 2.951 20 5 EFBDRO C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001325197620 1329674840 /nfs/dbraw/zinc/67/48/40/1329674840.db2.gz WEAXGHVMGMAYFP-ZYHUDNBSSA-N 1 0 343.221 2.950 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001325245538 1329676542 /nfs/dbraw/zinc/67/65/42/1329676542.db2.gz ZMLANRWBCBDXEI-YLFCFFPRSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001325245536 1329676561 /nfs/dbraw/zinc/67/65/61/1329676561.db2.gz ZMLANRWBCBDXEI-VVLHAWIVSA-N 1 0 331.416 2.687 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC001325489501 1329691998 /nfs/dbraw/zinc/69/19/98/1329691998.db2.gz OOXXVCVCGLAFQT-LLVKDONJSA-N 1 0 347.806 2.866 20 5 EFBDRO CN(C)c1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001326147028 1329734754 /nfs/dbraw/zinc/73/47/54/1329734754.db2.gz PKLPLOHXFBQFEM-GOSISDBHSA-N 1 0 329.400 2.527 20 5 EFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[N@@H+]1C ZINC001327572445 1330498271 /nfs/dbraw/zinc/49/82/71/1330498271.db2.gz DOIJZBJXZUQJSZ-ZDUSSCGKSA-N 1 0 342.237 2.883 20 5 EFBDRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001327945279 1330533428 /nfs/dbraw/zinc/53/34/28/1330533428.db2.gz KQGRLRYXONPMRF-CQSZACIVSA-N 1 0 331.416 2.569 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1-c1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001328380037 1330589051 /nfs/dbraw/zinc/58/90/51/1330589051.db2.gz LZOFJKXDECXNRP-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001329673943 1330727521 /nfs/dbraw/zinc/72/75/21/1330727521.db2.gz OJBVNSSZNXMMKT-JTQLQIEISA-N 1 0 335.795 2.757 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001329982592 1330758272 /nfs/dbraw/zinc/75/82/72/1330758272.db2.gz BFOYORHJBBBFIA-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1nn(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC001331051840 1330788461 /nfs/dbraw/zinc/78/84/61/1330788461.db2.gz WSFOCNMGVSGKOY-HNNXBMFYSA-N 1 0 343.431 2.744 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001331212866 1330806125 /nfs/dbraw/zinc/80/61/25/1330806125.db2.gz LYSPLPAAIUHYAZ-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001331274090 1330813914 /nfs/dbraw/zinc/81/39/14/1330813914.db2.gz CXOPBOQVYBRKDX-SMDDNHRTSA-N 1 0 336.367 2.682 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001332420539 1330969681 /nfs/dbraw/zinc/96/96/81/1330969681.db2.gz JISJTRJXJDQPKE-YGRLFVJLSA-N 1 0 338.795 2.724 20 5 EFBDRO C[N@@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1(C)C ZINC001333313364 1331114178 /nfs/dbraw/zinc/11/41/78/1331114178.db2.gz NBOAHUVHIBXHAV-UHFFFAOYSA-N 1 0 336.417 2.855 20 5 EFBDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001333442300 1331144918 /nfs/dbraw/zinc/14/49/18/1331144918.db2.gz PNZFKDKWAFWFCQ-XJKSGUPXSA-N 1 0 332.404 2.536 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001333503300 1331156090 /nfs/dbraw/zinc/15/60/90/1331156090.db2.gz XJFOHVHDLWNTFL-NSHDSACASA-N 1 0 338.383 2.976 20 5 EFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[NH2+]C1 ZINC001333753405 1331207795 /nfs/dbraw/zinc/20/77/95/1331207795.db2.gz ZJYAMDINFTUSOF-ZDUSSCGKSA-N 1 0 346.412 2.542 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001333770102 1331211285 /nfs/dbraw/zinc/21/12/85/1331211285.db2.gz GYJGXTTYNOUFEO-WCXIOVBPSA-N 1 0 331.416 2.687 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001333873801 1331231738 /nfs/dbraw/zinc/23/17/38/1331231738.db2.gz NYONFTOWYNYKIS-ZANVPECISA-N 1 0 329.194 2.560 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076444 1331245948 /nfs/dbraw/zinc/24/59/48/1331245948.db2.gz RLSJQSJBVDMKSR-UHFFFAOYSA-N 1 0 326.372 2.976 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1O ZINC001334810031 1331310115 /nfs/dbraw/zinc/31/01/15/1331310115.db2.gz XOSABPABRZCFMS-NOZJJQNGSA-N 1 0 329.194 2.560 20 5 EFBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001335518234 1331365581 /nfs/dbraw/zinc/36/55/81/1331365581.db2.gz HYPZJLRXMCVGJM-NZSAHSFTSA-N 1 0 342.395 2.789 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001335766728 1331399668 /nfs/dbraw/zinc/39/96/68/1331399668.db2.gz XYMOEWZHHWHTPA-KGLIPLIRSA-N 1 0 335.429 2.673 20 5 EFBDRO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001335780562 1331402021 /nfs/dbraw/zinc/40/20/21/1331402021.db2.gz KUBKNKPMEGHEBC-NXEZZACHSA-N 1 0 329.194 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](CCCCO)CC1 ZINC001336661437 1331489565 /nfs/dbraw/zinc/48/95/65/1331489565.db2.gz UXYRMIZLKXCKAU-UHFFFAOYSA-N 1 0 347.337 2.508 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721454 1331496104 /nfs/dbraw/zinc/49/61/04/1331496104.db2.gz HSJLKAQTNGIPJV-SJCJKPOMSA-N 1 0 340.383 2.866 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC001336721461 1331496168 /nfs/dbraw/zinc/49/61/68/1331496168.db2.gz HSJLKAQTNGIPJV-YVEFUNNKSA-N 1 0 340.383 2.866 20 5 EFBDRO CCOc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001336735082 1331498026 /nfs/dbraw/zinc/49/80/26/1331498026.db2.gz FADSPNHNQRNJTQ-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1[N+](=O)[O-] ZINC001336747939 1331499392 /nfs/dbraw/zinc/49/93/92/1331499392.db2.gz PGIWPSHGSISIEG-BFYDXBDKSA-N 1 0 340.379 2.985 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001336754108 1331499908 /nfs/dbraw/zinc/49/99/08/1331499908.db2.gz APKZYWDKWHGPNA-INIZCTEOSA-N 1 0 337.326 2.608 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001336899032 1331514629 /nfs/dbraw/zinc/51/46/29/1331514629.db2.gz MCWPHYQLSPWQIY-UHFFFAOYSA-N 1 0 330.392 2.596 20 5 EFBDRO Nc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001336970592 1331522419 /nfs/dbraw/zinc/52/24/19/1331522419.db2.gz RTLTYZYDRNPOTN-UHFFFAOYSA-N 1 0 333.436 2.664 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337008462 1331526557 /nfs/dbraw/zinc/52/65/57/1331526557.db2.gz WSHHUUJHTFXFOU-MCIONIFRSA-N 1 0 337.807 2.755 20 5 EFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])co1 ZINC001337580832 1331586157 /nfs/dbraw/zinc/58/61/57/1331586157.db2.gz SMYLLSSLMKWCOK-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC001338076930 1331647139 /nfs/dbraw/zinc/64/71/39/1331647139.db2.gz UUQSDKQKLMRDAK-CYBMUJFWSA-N 1 0 348.428 3.000 20 5 EFBDRO Cc1cccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001338436768 1331707736 /nfs/dbraw/zinc/70/77/36/1331707736.db2.gz QYUHASYIBHCWFS-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001338739094 1331731617 /nfs/dbraw/zinc/73/16/17/1331731617.db2.gz NZBDWWAHAPTHEG-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338823645 1331741781 /nfs/dbraw/zinc/74/17/81/1331741781.db2.gz HBNLQNSEGSBJQW-DOMZBBRYSA-N 1 0 332.404 2.764 20 5 EFBDRO CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339066049 1331782059 /nfs/dbraw/zinc/78/20/59/1331782059.db2.gz OABPJEYPXODFAW-ZIAGYGMSSA-N 1 0 348.447 2.967 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339726934 1331943379 /nfs/dbraw/zinc/94/33/79/1331943379.db2.gz KZOZEQKAGQWXAG-KBPBESRZSA-N 1 0 346.431 2.740 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001340129184 1332143407 /nfs/dbraw/zinc/14/34/07/1332143407.db2.gz SNMCDPDTQYHEFH-UHFFFAOYSA-N 1 0 344.396 2.610 20 5 EFBDRO O=[N+]([O-])CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC001341300303 1332250125 /nfs/dbraw/zinc/25/01/25/1332250125.db2.gz OHXGDTYBFZZBQD-UHFFFAOYSA-N 1 0 343.221 2.707 20 5 EFBDRO CC1CC[NH+](CCc2nnc(COc3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001341571713 1332269092 /nfs/dbraw/zinc/26/90/92/1332269092.db2.gz ZOISMLKVYOSLBX-UHFFFAOYSA-N 1 0 346.387 2.831 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)CCSCCC[NH3+])cc1[N+](=O)[O-] ZINC001341615016 1332271382 /nfs/dbraw/zinc/27/13/82/1332271382.db2.gz JBOZZZYGDRRXHZ-LBPRGKRZSA-N 1 0 325.434 2.553 20 5 EFBDRO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001341668052 1332274865 /nfs/dbraw/zinc/27/48/65/1332274865.db2.gz MQOXPPPXRRGBQI-VXGBXAGGSA-N 1 0 339.823 2.624 20 5 EFBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC001342154404 1332310834 /nfs/dbraw/zinc/31/08/34/1332310834.db2.gz FJOKBBZAKAQXDO-YYQUZTFQSA-N 1 0 331.416 2.674 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001342196655 1332316069 /nfs/dbraw/zinc/31/60/69/1332316069.db2.gz ZYVOMMKHIBMFJL-UHFFFAOYSA-N 1 0 326.312 2.812 20 5 EFBDRO O=C(NC[C@H]1CCC[NH2+]CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001343715894 1332372689 /nfs/dbraw/zinc/37/26/89/1332372689.db2.gz XFZYAUCJLWXVOJ-AWEZNQCLSA-N 1 0 331.416 2.522 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(C[NH2+]C2)CC1 ZINC001343945520 1332392601 /nfs/dbraw/zinc/39/26/01/1332392601.db2.gz NRCOVUCUVVPSBE-UHFFFAOYSA-N 1 0 331.397 2.635 20 5 EFBDRO COCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001344824622 1332485662 /nfs/dbraw/zinc/48/56/62/1332485662.db2.gz IICNGRAQODZKDN-GFCCVEGCSA-N 1 0 333.344 2.752 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001344876314 1332490566 /nfs/dbraw/zinc/49/05/66/1332490566.db2.gz SVKUVKICDPCEDO-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346204382 1332611402 /nfs/dbraw/zinc/61/14/02/1332611402.db2.gz SHMPFYWXOKIZCL-CYBMUJFWSA-N 1 0 328.372 2.539 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346435633 1332640162 /nfs/dbraw/zinc/64/01/62/1332640162.db2.gz MNJSSQOSRDKJGU-QGZVFWFLSA-N 1 0 346.431 2.753 20 5 EFBDRO CN(c1ncnc2c(Cl)cc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](C)C1 ZINC001347056418 1332714803 /nfs/dbraw/zinc/71/48/03/1332714803.db2.gz LGDCKPMBSJDGFX-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO COc1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001347522480 1332752810 /nfs/dbraw/zinc/75/28/10/1332752810.db2.gz QDYIYRBIZCHSQY-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001348659471 1332857447 /nfs/dbraw/zinc/85/74/47/1332857447.db2.gz QQJFMQGLBDVZJE-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001349913880 1333012207 /nfs/dbraw/zinc/01/22/07/1333012207.db2.gz YKPMOAYZNSNYSI-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001351289368 1333206640 /nfs/dbraw/zinc/20/66/40/1333206640.db2.gz SOHQJGXIUXCOMJ-ZDUSSCGKSA-N 1 0 331.210 2.854 20 5 EFBDRO CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847073913 1333311406 /nfs/dbraw/zinc/31/14/06/1333311406.db2.gz IEPRDXPAWQEWMO-HZPDHXFCSA-N 1 0 338.404 2.584 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000847254953 1333448959 /nfs/dbraw/zinc/44/89/59/1333448959.db2.gz HZTWLDQYMGIMHV-LSDHHAIUSA-N 1 0 335.379 2.789 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000847254947 1333449246 /nfs/dbraw/zinc/44/92/46/1333449246.db2.gz HZTWLDQYMGIMHV-CABCVRRESA-N 1 0 335.379 2.789 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-] ZINC001353229653 1334033067 /nfs/dbraw/zinc/03/30/67/1334033067.db2.gz BMUSSDOWPIFHII-UHFFFAOYSA-N 1 0 344.327 2.621 20 5 EFBDRO CN(C)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001353274481 1334059405 /nfs/dbraw/zinc/05/94/05/1334059405.db2.gz UCHQKZALFUBIOR-QZTJIDSGSA-N 1 0 347.390 2.660 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001353309719 1334082162 /nfs/dbraw/zinc/08/21/62/1334082162.db2.gz HUIBADRPEQWQAZ-SUMDDJOVSA-N 1 0 342.395 2.555 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001353309720 1334082519 /nfs/dbraw/zinc/08/25/19/1334082519.db2.gz HUIBADRPEQWQAZ-SZVBFZGTSA-N 1 0 342.395 2.555 20 5 EFBDRO O=C(CC1CCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002504924 1334306339 /nfs/dbraw/zinc/30/63/39/1334306339.db2.gz OBWAKRLFIBAUBI-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001354781262 1334510751 /nfs/dbraw/zinc/51/07/51/1334510751.db2.gz JUOZSFNYUGHEAH-JSGCOSHPSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001354828578 1334544742 /nfs/dbraw/zinc/54/47/42/1334544742.db2.gz BZVQYISICDTLCW-ZDUSSCGKSA-N 1 0 339.395 2.774 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848300743 1334598768 /nfs/dbraw/zinc/59/87/68/1334598768.db2.gz BEVYMVTYQLEVLL-YFHOEESVSA-N 1 0 331.416 2.941 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000848300619 1334598858 /nfs/dbraw/zinc/59/88/58/1334598858.db2.gz RCMRBPJHLAEHAX-UHFFFAOYSA-N 1 0 337.395 2.989 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479531 1334737467 /nfs/dbraw/zinc/73/74/67/1334737467.db2.gz DMHYXQGOGLXPNA-SFHVURJKSA-N 1 0 343.431 2.688 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000848482912 1334739970 /nfs/dbraw/zinc/73/99/70/1334739970.db2.gz VAJAYYHOOMYPSX-CABCVRRESA-N 1 0 342.399 2.774 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848489510 1334746459 /nfs/dbraw/zinc/74/64/59/1334746459.db2.gz VTJLATVNIDEKBV-MRXNPFEDSA-N 1 0 343.431 2.830 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000848524267 1334772879 /nfs/dbraw/zinc/77/28/79/1334772879.db2.gz RMYCMBCSIFSVKL-CXAGYDPISA-N 1 0 346.358 2.751 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCCC[NH2+]1 ZINC001355521482 1334808483 /nfs/dbraw/zinc/80/84/83/1334808483.db2.gz ULUPBCCZHJYSEK-NSHDSACASA-N 1 0 343.786 2.578 20 5 EFBDRO Cc1cc(C(=O)N2CCCc3cc(CC[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001355626985 1334835357 /nfs/dbraw/zinc/83/53/57/1334835357.db2.gz MMOUFZJWUISODC-UHFFFAOYSA-N 1 0 339.395 2.997 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000848760510 1334878968 /nfs/dbraw/zinc/87/89/68/1334878968.db2.gz FVQARDYUAZCCTR-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000848793549 1334901762 /nfs/dbraw/zinc/90/17/62/1334901762.db2.gz LTEREOATVMJNTA-CYBMUJFWSA-N 1 0 339.823 2.939 20 5 EFBDRO C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001356510015 1335046197 /nfs/dbraw/zinc/04/61/97/1335046197.db2.gz AHBFRZBUSUDFBG-QMTHXVAHSA-N 1 0 346.353 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC23CCCCC3)cc1 ZINC001356609501 1335062505 /nfs/dbraw/zinc/06/25/05/1335062505.db2.gz PIEMNQIOXBJWQL-HNNXBMFYSA-N 1 0 338.429 2.681 20 5 EFBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F ZINC000849081269 1335071718 /nfs/dbraw/zinc/07/17/18/1335071718.db2.gz PIGHNZATUBSYPD-UHFFFAOYSA-N 1 0 335.314 2.921 20 5 EFBDRO COc1ccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000849100439 1335551731 /nfs/dbraw/zinc/55/17/31/1335551731.db2.gz XFYJWSQCDZNMEV-UHFFFAOYSA-N 1 0 330.344 2.619 20 5 EFBDRO Cc1nn(C[N@H+](C)CCC2CCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121255060 712932868 /nfs/dbraw/zinc/93/28/68/712932868.db2.gz UFOBLSFGHDHHKR-UHFFFAOYSA-N 1 0 332.404 2.959 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020550811 713154399 /nfs/dbraw/zinc/15/43/99/713154399.db2.gz NKYSVOFYFVDBAD-SHTZXODSSA-N 1 0 343.383 2.801 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CC2)C1 ZINC001020569954 713217934 /nfs/dbraw/zinc/21/79/34/713217934.db2.gz QQHOIIXHUZCRLL-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)[nH]1 ZINC001020638081 713307882 /nfs/dbraw/zinc/30/78/82/713307882.db2.gz DHOXQFMLCADAFD-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000893624016 717903386 /nfs/dbraw/zinc/90/33/86/717903386.db2.gz LLRYATAVXGYASC-KBPBESRZSA-N 1 0 338.404 2.991 20 5 EFBDRO CC[N@H+](Cc1ccc(C(=O)Nc2c([N+](=O)[O-])ncn2C)cc1)C(C)C ZINC000891347060 714433123 /nfs/dbraw/zinc/43/31/23/714433123.db2.gz GFUBQJCIQHRLNR-UHFFFAOYSA-N 1 0 345.403 2.811 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021791139 714479777 /nfs/dbraw/zinc/47/97/77/714479777.db2.gz YWEGEHUIAGVTTC-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001021812036 714506883 /nfs/dbraw/zinc/50/68/83/714506883.db2.gz KYKAJKSRCJAPOJ-OKILXGFUSA-N 1 0 331.397 2.707 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000157813983 714524362 /nfs/dbraw/zinc/52/43/62/714524362.db2.gz VYPJTISECDJQDW-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC001021824730 714537204 /nfs/dbraw/zinc/53/72/04/714537204.db2.gz PUWPYYNUSVWUOO-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC001022009928 714645877 /nfs/dbraw/zinc/64/58/77/714645877.db2.gz QUUNBJMEFJLUSO-BETUJISGSA-N 1 0 335.385 2.608 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000891433605 714658349 /nfs/dbraw/zinc/65/83/49/714658349.db2.gz ANFZIYJXEFHRNS-UHFFFAOYSA-N 1 0 337.807 2.739 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933334651 714669656 /nfs/dbraw/zinc/66/96/56/714669656.db2.gz RZTITQGXCCBTAR-ZDUSSCGKSA-N 1 0 349.456 2.875 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022039768 714682898 /nfs/dbraw/zinc/68/28/98/714682898.db2.gz JYFCAKDAXQKYRS-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000065969072 718001106 /nfs/dbraw/zinc/00/11/06/718001106.db2.gz GOPXMMUDIPRVTH-UHFFFAOYSA-N 1 0 346.818 2.961 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000933426045 714774082 /nfs/dbraw/zinc/77/40/82/714774082.db2.gz TUOHGZQJXIGVNF-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000891475553 714775668 /nfs/dbraw/zinc/77/56/68/714775668.db2.gz HXNNDYBOAMEWKK-OAHLLOKOSA-N 1 0 345.403 2.586 20 5 EFBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2OC)[NH+](C)C)c1 ZINC000891502410 714789116 /nfs/dbraw/zinc/78/91/16/714789116.db2.gz WLCPESFVNAAKOP-HNNXBMFYSA-N 1 0 346.387 2.722 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CC1 ZINC001022246066 714913359 /nfs/dbraw/zinc/91/33/59/714913359.db2.gz QIJPPRFQEASTTG-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC001022334929 715020147 /nfs/dbraw/zinc/02/01/47/715020147.db2.gz ZOLREYMUNWFKFG-OKILXGFUSA-N 1 0 335.379 2.614 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933780281 715047906 /nfs/dbraw/zinc/04/79/06/715047906.db2.gz WTSWSFKCCKGSOQ-WBAXXEDZSA-N 1 0 345.443 2.889 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933780278 715048054 /nfs/dbraw/zinc/04/80/54/715048054.db2.gz WTSWSFKCCKGSOQ-BMGDILEWSA-N 1 0 345.443 2.889 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000891897044 715100582 /nfs/dbraw/zinc/10/05/82/715100582.db2.gz ATMUWRWLJWPHBT-HZSPNIEDSA-N 1 0 334.420 2.840 20 5 EFBDRO CCN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(C)C ZINC000934044757 715180551 /nfs/dbraw/zinc/18/05/51/715180551.db2.gz YRZAEBHMFVTFPQ-UHFFFAOYSA-N 1 0 349.435 2.609 20 5 EFBDRO COC(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934033464 715181808 /nfs/dbraw/zinc/18/18/08/715181808.db2.gz IVEWNWFBMHNBRU-CYBMUJFWSA-N 1 0 330.331 2.940 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001022508612 715192372 /nfs/dbraw/zinc/19/23/72/715192372.db2.gz UNHZQPYPHIXGMR-GASCZTMLSA-N 1 0 331.416 2.912 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000892003769 715217065 /nfs/dbraw/zinc/21/70/65/715217065.db2.gz DINPRIOCCRBQIJ-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001022567793 715218169 /nfs/dbraw/zinc/21/81/69/715218169.db2.gz DGBWTQCRDOJQHK-BETUJISGSA-N 1 0 337.445 2.829 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000934166450 715237094 /nfs/dbraw/zinc/23/70/94/715237094.db2.gz RBKVJRHPHDTQOW-RGCMKSIDSA-N 1 0 335.404 2.788 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000892137805 715269891 /nfs/dbraw/zinc/26/98/91/715269891.db2.gz NSABMUREHCZSAU-UHFFFAOYSA-N 1 0 347.444 2.663 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892144253 715273060 /nfs/dbraw/zinc/27/30/60/715273060.db2.gz MODZYTNWXLLMGD-LBPRGKRZSA-N 1 0 335.433 2.714 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934237074 715274185 /nfs/dbraw/zinc/27/41/85/715274185.db2.gz VBIIPUXODPRWGO-OLZOCXBDSA-N 1 0 328.372 2.538 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934236371 715274296 /nfs/dbraw/zinc/27/42/96/715274296.db2.gz NZWVITRNUUAIJB-NSHDSACASA-N 1 0 348.790 2.803 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001022653104 715275863 /nfs/dbraw/zinc/27/58/63/715275863.db2.gz IXZLNQXJFCWNJL-GASCZTMLSA-N 1 0 329.400 2.688 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000984566977 724386552 /nfs/dbraw/zinc/38/65/52/724386552.db2.gz AOQJYPOLLSULNY-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000934574378 715685436 /nfs/dbraw/zinc/68/54/36/715685436.db2.gz GIHRQOHATVUPAF-YGRLFVJLSA-N 1 0 335.429 2.529 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000072782172 715889855 /nfs/dbraw/zinc/88/98/55/715889855.db2.gz QYKVRSQTKZJFKG-SHQCLWGWSA-N 1 0 331.416 2.989 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(C1CC1)C1CC1 ZINC001022951871 716009054 /nfs/dbraw/zinc/00/90/54/716009054.db2.gz JPGACSPBBDCICK-IYBDPMFKSA-N 1 0 343.427 2.768 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424021071 716959001 /nfs/dbraw/zinc/95/90/01/716959001.db2.gz ANBPQIXEUSYYKK-MRXNPFEDSA-N 1 0 335.429 2.675 20 5 EFBDRO COc1c(O)ccc(CNCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000892460527 717628230 /nfs/dbraw/zinc/62/82/30/717628230.db2.gz RPKYAZUMBZLLIT-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1[N+](=O)[O-] ZINC000310649846 718111921 /nfs/dbraw/zinc/11/19/21/718111921.db2.gz PDVVBMTYLDLBQM-FOLVSLTJSA-N 1 0 347.415 2.858 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892571005 718297347 /nfs/dbraw/zinc/29/73/47/718297347.db2.gz UGKSZBOCMZPDBN-OLZOCXBDSA-N 1 0 337.420 2.662 20 5 EFBDRO COc1cccc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892599364 718325796 /nfs/dbraw/zinc/32/57/96/718325796.db2.gz KMGCENVQJQJKLD-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935798020 718345355 /nfs/dbraw/zinc/34/53/55/718345355.db2.gz OAPQESAZOQMYFG-SJORKVTESA-N 1 0 331.416 2.643 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892633772 718359772 /nfs/dbraw/zinc/35/97/72/718359772.db2.gz YGTOXJIDQFSKPJ-CYBMUJFWSA-N 1 0 337.420 2.521 20 5 EFBDRO COc1c(O)ccc(CN[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892668288 718411881 /nfs/dbraw/zinc/41/18/81/718411881.db2.gz FUFQJDLTLOFOFI-STQMWFEESA-N 1 0 337.420 2.519 20 5 EFBDRO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072514550 718571003 /nfs/dbraw/zinc/57/10/03/718571003.db2.gz NKTXVWCCMCAHMD-UHFFFAOYSA-N 1 0 332.360 2.660 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H](C)COc2ccccc2)c1[N+](=O)[O-] ZINC000892693273 718738240 /nfs/dbraw/zinc/73/82/40/718738240.db2.gz GLSJVGCATUPUSK-GFCCVEGCSA-N 1 0 332.356 2.866 20 5 EFBDRO O=C(C1CCC1)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981571938 718818531 /nfs/dbraw/zinc/81/85/31/718818531.db2.gz JFZRAAYDLHMDIL-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164632203 719178434 /nfs/dbraw/zinc/17/84/34/719178434.db2.gz DIGYNTYYYFHPJE-NXEZZACHSA-N 1 0 335.795 2.720 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892845208 719232419 /nfs/dbraw/zinc/23/24/19/719232419.db2.gz AYMQQAYSBALFHW-HIFRSBDPSA-N 1 0 329.404 2.793 20 5 EFBDRO C[C@@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H](C)C[N@@H+]1C ZINC001164637256 719248282 /nfs/dbraw/zinc/24/82/82/719248282.db2.gz VDMRFWOLLYVWNV-NEPJUHHUSA-N 1 0 345.378 2.720 20 5 EFBDRO CN(CCOc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023990761 719254552 /nfs/dbraw/zinc/25/45/52/719254552.db2.gz CKTSXWRBLYAVCO-UHFFFAOYSA-N 1 0 326.356 2.913 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OCC[C@H]1CC[NH2+]C1 ZINC000122452947 719305785 /nfs/dbraw/zinc/30/57/85/719305785.db2.gz YNQUDOYLTTZQTN-MRVPVSSYSA-N 1 0 333.157 2.875 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892947298 719307847 /nfs/dbraw/zinc/30/78/47/719307847.db2.gz BSYBHIHNAXLWFU-CQSZACIVSA-N 1 0 337.420 2.663 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCC2 ZINC000892958526 719345890 /nfs/dbraw/zinc/34/58/90/719345890.db2.gz BRHZLEZICDBCHH-UONOGXRCSA-N 1 0 336.388 2.746 20 5 EFBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892967754 719368344 /nfs/dbraw/zinc/36/83/44/719368344.db2.gz LQCWCUHEXAXAST-SMDDNHRTSA-N 1 0 339.823 2.985 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019976902 719413499 /nfs/dbraw/zinc/41/34/99/719413499.db2.gz ZVFIONUKCLGKRM-HAQNSBGRSA-N 1 0 335.385 2.608 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001019948351 719415485 /nfs/dbraw/zinc/41/54/85/719415485.db2.gz KJEGSPZHQFOPNT-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001019973572 719419005 /nfs/dbraw/zinc/41/90/05/719419005.db2.gz GPVQXMMCLVSWLC-HAQNSBGRSA-N 1 0 337.426 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001019973800 719419071 /nfs/dbraw/zinc/41/90/71/719419071.db2.gz KYKAJKSRCJAPOJ-HDJSIYSDSA-N 1 0 331.397 2.707 20 5 EFBDRO COc1ccc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000893024164 719480919 /nfs/dbraw/zinc/48/09/19/719480919.db2.gz AXULIAVXVZWYFL-DZGCQCFKSA-N 1 0 349.431 2.938 20 5 EFBDRO COc1cc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000893026464 719487293 /nfs/dbraw/zinc/48/72/93/719487293.db2.gz NKKAEAKJENUNAG-UKRRQHHQSA-N 1 0 349.431 2.938 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893092693 719624983 /nfs/dbraw/zinc/62/49/83/719624983.db2.gz MVRJQMHWTIENOH-HFBAOOFYSA-N 1 0 336.388 2.602 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000909616126 724611977 /nfs/dbraw/zinc/61/19/77/724611977.db2.gz FVFXZUCLTUSMOV-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000893801588 720092974 /nfs/dbraw/zinc/09/29/74/720092974.db2.gz JHOUAGSWHIGJOH-OIISXLGYSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)Oc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000893865046 720130520 /nfs/dbraw/zinc/13/05/20/720130520.db2.gz FKUMUVILKHCNJB-HNNXBMFYSA-N 1 0 347.419 2.830 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000893964739 720186142 /nfs/dbraw/zinc/18/61/42/720186142.db2.gz TVCXXSZFTSUWSG-SFHVURJKSA-N 1 0 347.415 2.612 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000893256283 720282351 /nfs/dbraw/zinc/28/23/51/720282351.db2.gz OWBHEBKKUFMRMP-TZMCWYRMSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727284 720334980 /nfs/dbraw/zinc/33/49/80/720334980.db2.gz SQISWBFUSFNCMJ-HZPDHXFCSA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722183 720352809 /nfs/dbraw/zinc/35/28/09/720352809.db2.gz FHJGIQXULLMWOO-JKSUJKDBSA-N 1 0 339.399 2.546 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000893317148 720588135 /nfs/dbraw/zinc/58/81/35/720588135.db2.gz KDVQUCDMXZPOOW-CQSZACIVSA-N 1 0 336.388 2.700 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893320725 720607451 /nfs/dbraw/zinc/60/74/51/720607451.db2.gz UIHDWJGMGCTDKV-KBPBESRZSA-N 1 0 338.404 2.992 20 5 EFBDRO COCC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]CC1 ZINC000261741236 720963888 /nfs/dbraw/zinc/96/38/88/720963888.db2.gz SVCMUKSIFQYLGI-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894160116 720977824 /nfs/dbraw/zinc/97/78/24/720977824.db2.gz RMQYQOUUWODUPD-GFCCVEGCSA-N 1 0 325.796 2.596 20 5 EFBDRO Cn1c2ccccc2c(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000894164511 721011510 /nfs/dbraw/zinc/01/15/10/721011510.db2.gz ALVFFDFIYZLXKU-ZDUSSCGKSA-N 1 0 344.415 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](CC4CC4)CC3)c2c1 ZINC000124211179 721415644 /nfs/dbraw/zinc/41/56/44/721415644.db2.gz BZFTYSCBOVNMDS-UHFFFAOYSA-N 1 0 348.428 2.857 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000983028355 721769957 /nfs/dbraw/zinc/76/99/57/721769957.db2.gz GVYBFGNGXGUETP-UMSPYCQHSA-N 1 0 335.385 2.548 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894275202 721882981 /nfs/dbraw/zinc/88/29/81/721882981.db2.gz QIDHKHDOCAUHTQ-RYUDHWBXSA-N 1 0 338.404 2.992 20 5 EFBDRO COc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165049460 721968981 /nfs/dbraw/zinc/96/89/81/721968981.db2.gz TZNFXLXCVKFDCM-CQSZACIVSA-N 1 0 334.420 2.843 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000894372861 722643773 /nfs/dbraw/zinc/64/37/73/722643773.db2.gz TZEHICKBSZEENS-GFCCVEGCSA-N 1 0 337.811 2.739 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000917581860 728762835 /nfs/dbraw/zinc/76/28/35/728762835.db2.gz WGSMKPJSXLVQMQ-DOMZBBRYSA-N 1 0 336.461 2.604 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1=O ZINC000894488750 722753339 /nfs/dbraw/zinc/75/33/39/722753339.db2.gz HXCQPWIDKUNOTP-GFCCVEGCSA-N 1 0 344.415 2.731 20 5 EFBDRO COCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000894582302 722787459 /nfs/dbraw/zinc/78/74/59/722787459.db2.gz NYKPLZYVGVHHDG-UHFFFAOYSA-N 1 0 328.796 2.781 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CSC)C2)c1[N+](=O)[O-] ZINC000894599147 722794251 /nfs/dbraw/zinc/79/42/51/722794251.db2.gz PMXOGDPPDGHATB-NSHDSACASA-N 1 0 326.418 2.884 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCO3)o2)c(Cl)c1 ZINC000894872453 722930080 /nfs/dbraw/zinc/93/00/80/722930080.db2.gz JFICVOPHRJIIRI-GFCCVEGCSA-N 1 0 338.747 2.971 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841233501 723067031 /nfs/dbraw/zinc/06/70/31/723067031.db2.gz WDSTVAALTSHNLL-ZJUUUORDSA-N 1 0 326.784 2.839 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917836948 728793583 /nfs/dbraw/zinc/79/35/83/728793583.db2.gz DEQOMEPPQFCPPJ-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000895187314 723845891 /nfs/dbraw/zinc/84/58/91/723845891.db2.gz QTUXWDDRXOKANN-FOLVSLTJSA-N 1 0 328.347 2.671 20 5 EFBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000985114779 723850849 /nfs/dbraw/zinc/85/08/49/723850849.db2.gz IFPOAGBFJXIUOT-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000896956540 723913027 /nfs/dbraw/zinc/91/30/27/723913027.db2.gz ONZLYDINGONPTC-ZDUSSCGKSA-N 1 0 325.796 2.737 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247490 723941727 /nfs/dbraw/zinc/94/17/27/723941727.db2.gz UTKKGZDNQNLYDM-HZMBPMFUSA-N 1 0 346.353 2.660 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+]C4(CCCCC4)C3)c21 ZINC000895252658 723944127 /nfs/dbraw/zinc/94/41/27/723944127.db2.gz CARNUZBMHQPTKR-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895279154 723978095 /nfs/dbraw/zinc/97/80/95/723978095.db2.gz RMQDTEODJBLEKD-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895327498 724040355 /nfs/dbraw/zinc/04/03/55/724040355.db2.gz DEMWQGPYYHHKRX-SJCJKPOMSA-N 1 0 348.424 2.641 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270121 724047330 /nfs/dbraw/zinc/04/73/30/724047330.db2.gz KFJDBEUNTQDEAG-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139258 724049284 /nfs/dbraw/zinc/04/92/84/724049284.db2.gz JOYLDXZJGCGEJK-MRXNPFEDSA-N 1 0 331.416 2.959 20 5 EFBDRO Cc1cn(C[N@H+]2CCC[C@H]2C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707191 724142130 /nfs/dbraw/zinc/14/21/30/724142130.db2.gz LFBDCYXCCDBNGF-HNNXBMFYSA-N 1 0 344.415 2.934 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897262072 724145557 /nfs/dbraw/zinc/14/55/57/724145557.db2.gz UFJHYVCNUKXGJH-WMHVBEDNSA-N 1 0 332.400 2.614 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000895690417 724256529 /nfs/dbraw/zinc/25/65/29/724256529.db2.gz CYHVBXLDSGJMST-PBHICJAKSA-N 1 0 344.367 2.929 20 5 EFBDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707720 724267148 /nfs/dbraw/zinc/26/71/48/724267148.db2.gz MPNYELFYVFEUOG-UZYOAWRESA-N 1 0 348.321 2.836 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895747440 724293579 /nfs/dbraw/zinc/29/35/79/724293579.db2.gz HYOCWMNJKCLWLM-RYUDHWBXSA-N 1 0 349.214 2.921 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000918574384 728894255 /nfs/dbraw/zinc/89/42/55/728894255.db2.gz ONQZTIJDZMRLOW-ZIAGYGMSSA-N 1 0 348.447 2.511 20 5 EFBDRO COC(=O)c1ccccc1CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000897309460 724337911 /nfs/dbraw/zinc/33/79/11/724337911.db2.gz IYPUQHSVLUQHMI-UHFFFAOYSA-N 1 0 344.367 2.722 20 5 EFBDRO C[N@H+](CC1CCC2(CC2)CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434116 724342819 /nfs/dbraw/zinc/34/28/19/724342819.db2.gz QMXBMQIUOYMKLV-IAGOWNOFSA-N 1 0 349.475 2.545 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000841371117 724852417 /nfs/dbraw/zinc/85/24/17/724852417.db2.gz WBIKTFYZKCKZFN-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000918703324 728912010 /nfs/dbraw/zinc/91/20/10/728912010.db2.gz BDMPISLYKZBKGF-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154826221 728931693 /nfs/dbraw/zinc/93/16/93/728931693.db2.gz LOVBTMOFAYIUSX-IUODEOHRSA-N 1 0 335.379 2.599 20 5 EFBDRO COc1ccc(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000741013399 725586239 /nfs/dbraw/zinc/58/62/39/725586239.db2.gz JRNWIIYZVOVEOZ-INIZCTEOSA-N 1 0 336.388 2.767 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152699189 726220405 /nfs/dbraw/zinc/22/04/05/726220405.db2.gz BNQYNLGFGMGIDC-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914292796 726223435 /nfs/dbraw/zinc/22/34/35/726223435.db2.gz AGGULMRAQSBWDI-UONOGXRCSA-N 1 0 334.420 2.829 20 5 EFBDRO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000729339422 726316421 /nfs/dbraw/zinc/31/64/21/726316421.db2.gz XPXJGPKCGOITJU-AWEZNQCLSA-N 1 0 334.351 2.775 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897490871 726322976 /nfs/dbraw/zinc/32/29/76/726322976.db2.gz OZSIWMADACATAA-CQSZACIVSA-N 1 0 346.431 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000153475154 726867736 /nfs/dbraw/zinc/86/77/36/726867736.db2.gz AWSSUFJSPKELAO-MRXNPFEDSA-N 1 0 343.431 2.852 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000908125420 727097832 /nfs/dbraw/zinc/09/78/32/727097832.db2.gz QHBCPEWYMNMZLC-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000888285260 727228540 /nfs/dbraw/zinc/22/85/40/727228540.db2.gz ZHSFZOYNXUVLFJ-LLVKDONJSA-N 1 0 340.811 2.972 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000910280210 727426618 /nfs/dbraw/zinc/42/66/18/727426618.db2.gz KGSAVCXGYCMRPC-ZDUSSCGKSA-N 1 0 344.415 2.561 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910284216 727427232 /nfs/dbraw/zinc/42/72/32/727427232.db2.gz OKPKEXFWTYLJPW-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000911474136 727543588 /nfs/dbraw/zinc/54/35/88/727543588.db2.gz VNZNRTKWWCCEMO-AWEZNQCLSA-N 1 0 339.342 2.506 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911811018 727602682 /nfs/dbraw/zinc/60/26/82/727602682.db2.gz PFCYSBZLNHLANY-ROUUACIJSA-N 1 0 337.379 2.983 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000911820147 727603017 /nfs/dbraw/zinc/60/30/17/727603017.db2.gz CNJQPIMDRMOOIG-IAQYHMDHSA-N 1 0 339.823 2.767 20 5 EFBDRO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000911819256 727603141 /nfs/dbraw/zinc/60/31/41/727603141.db2.gz OKIOVYFOZYMFBI-ULQDDVLXSA-N 1 0 331.416 2.722 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000912297160 727689806 /nfs/dbraw/zinc/68/98/06/727689806.db2.gz QCBFGGWBAOVVHK-JTQLQIEISA-N 1 0 343.786 2.990 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000912807536 727745079 /nfs/dbraw/zinc/74/50/79/727745079.db2.gz LUSVTLDHHMUUPZ-MLGOLLRUSA-N 1 0 337.395 2.926 20 5 EFBDRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816128 727749089 /nfs/dbraw/zinc/74/90/89/727749089.db2.gz VGIPPWXNIVAXQA-UKRRQHHQSA-N 1 0 349.431 2.796 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000916966967 727751034 /nfs/dbraw/zinc/75/10/34/727751034.db2.gz IQRLBJMRXPPICU-HOTGVXAUSA-N 1 0 336.775 2.605 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000917094401 727768096 /nfs/dbraw/zinc/76/80/96/727768096.db2.gz RTNKDGZSQAVWKE-YUMQZZPRSA-N 1 0 335.713 2.923 20 5 EFBDRO COCC(=O)Nc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000917134606 727775379 /nfs/dbraw/zinc/77/53/79/727775379.db2.gz CGRJNQLAYABQBO-UHFFFAOYSA-N 1 0 343.383 2.778 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000917416757 727805288 /nfs/dbraw/zinc/80/52/88/727805288.db2.gz MPLQKBIFLAJXEA-HNNXBMFYSA-N 1 0 338.310 2.705 20 5 EFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913293249 727817942 /nfs/dbraw/zinc/81/79/42/727817942.db2.gz LFROBZIQNDMYAP-HZPDHXFCSA-N 1 0 337.807 2.662 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000913293148 727818110 /nfs/dbraw/zinc/81/81/10/727818110.db2.gz JNOJXVAXTXFOGP-IRXDYDNUSA-N 1 0 349.456 2.731 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000055035528 727899316 /nfs/dbraw/zinc/89/93/16/727899316.db2.gz AJWBLBXAYYMJKJ-UHFFFAOYSA-N 1 0 345.447 2.956 20 5 EFBDRO Cc1c(Br)c(N[C@@H](C)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165814419 728071789 /nfs/dbraw/zinc/07/17/89/728071789.db2.gz NICSHKUVYZKJHS-UWVGGRQHSA-N 1 0 343.225 2.861 20 5 EFBDRO O=C(Cc1ccoc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000991605205 728144803 /nfs/dbraw/zinc/14/48/03/728144803.db2.gz SZOMQJFHPRHRAQ-UHFFFAOYSA-N 1 0 349.412 2.573 20 5 EFBDRO [NH3+]CCC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157896136 728253224 /nfs/dbraw/zinc/25/32/24/728253224.db2.gz NFPPSOLYTKCNJJ-UHFFFAOYSA-N 1 0 342.237 2.918 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000171956417 728560120 /nfs/dbraw/zinc/56/01/20/728560120.db2.gz XHPIZJIQQWIKIW-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)c2nonc21 ZINC000919723712 729075305 /nfs/dbraw/zinc/07/53/05/729075305.db2.gz VEYOEXXTCIBWLN-UHFFFAOYSA-N 1 0 345.384 2.663 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000919862451 729100788 /nfs/dbraw/zinc/10/07/88/729100788.db2.gz NQIIUVXRBNAOMB-KGLIPLIRSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000920463335 729185473 /nfs/dbraw/zinc/18/54/73/729185473.db2.gz CERHODXRPRPWGC-FSQQNCNXSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[NH+](CC)CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000920817684 729234056 /nfs/dbraw/zinc/23/40/56/729234056.db2.gz SZTHGPKPOMXCMB-NSHDSACASA-N 1 0 344.795 2.901 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921330256 729289414 /nfs/dbraw/zinc/28/94/14/729289414.db2.gz FXGLPMXIHFADSN-IVMMDQJWSA-N 1 0 334.420 2.828 20 5 EFBDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591549314 992731241 /nfs/dbraw/zinc/73/12/41/992731241.db2.gz CJDXJXQNZQZBLL-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931601438 1126135608 /nfs/dbraw/zinc/13/56/08/1126135608.db2.gz OPKJGGFNWRUNMR-SFHVURJKSA-N 1 0 348.374 2.826 20 5 EFBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)C[NH2+]1 ZINC001573721130 1087883373 /nfs/dbraw/zinc/88/33/73/1087883373.db2.gz XJFHUIWGDRZLFM-QWRGUYRKSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C(=O)N1C[C@H]2CCCC[C@@]2(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001575101444 1088241608 /nfs/dbraw/zinc/24/16/08/1088241608.db2.gz ZHGZEZGOYMIDBH-DNVCBOLYSA-N 1 0 345.443 2.850 20 5 EFBDRO CC(C)(C[NH3+])C1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001575311342 1088384121 /nfs/dbraw/zinc/38/41/21/1088384121.db2.gz VEKXPPFPPINYEI-UHFFFAOYSA-N 1 0 341.358 2.710 20 5 EFBDRO CC(C)[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@H](C)[NH3+] ZINC001575407573 1088447558 /nfs/dbraw/zinc/44/75/58/1088447558.db2.gz DIDKRVKLNJLMHP-IINYFYTJSA-N 1 0 331.376 2.543 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC12CCN(c1ncnc3sc([N+](=O)[O-])cc31)CC2 ZINC001575523029 1088531146 /nfs/dbraw/zinc/53/11/46/1088531146.db2.gz OFGOYUGFFMGHNR-CYBMUJFWSA-N 1 0 347.444 2.814 20 5 EFBDRO C[C@H](CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001576023627 1088859711 /nfs/dbraw/zinc/85/97/11/1088859711.db2.gz QNXSYRDQQDMMSI-ZIAGYGMSSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576530754 1089313195 /nfs/dbraw/zinc/31/31/95/1089313195.db2.gz NUGQVHKGHRKSQM-GUYCJALGSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@H]1CC(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001576589494 1089339776 /nfs/dbraw/zinc/33/97/76/1089339776.db2.gz QFKBBBLIDKULAR-VFVRVIDISA-N 1 0 333.432 2.957 20 5 EFBDRO C[C@H]1CC(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC001576589493 1089340217 /nfs/dbraw/zinc/34/02/17/1089340217.db2.gz QFKBBBLIDKULAR-SNUQEOBHSA-N 1 0 333.432 2.957 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC001576649805 1089378240 /nfs/dbraw/zinc/37/82/40/1089378240.db2.gz IHEIJQIMJSCGAD-FOGDFJRCSA-N 1 0 325.796 2.836 20 5 EFBDRO C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC001576699527 1089402837 /nfs/dbraw/zinc/40/28/37/1089402837.db2.gz YFPVSOUKJYJNDS-FZMZJTMJSA-N 1 0 341.358 2.663 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576748349 1089435425 /nfs/dbraw/zinc/43/54/25/1089435425.db2.gz IVCKXAWJGRDMTO-KKFJDGPESA-N 1 0 345.321 2.730 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576748351 1089435958 /nfs/dbraw/zinc/43/59/58/1089435958.db2.gz IVCKXAWJGRDMTO-VYUIOLGVSA-N 1 0 345.321 2.730 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001576784171 1089459926 /nfs/dbraw/zinc/45/99/26/1089459926.db2.gz YSAWMARFKIWAIR-VHSXEESVSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CC[C@H]1C[NH3+] ZINC001576806896 1089469352 /nfs/dbraw/zinc/46/93/52/1089469352.db2.gz KSHDHNUEZJQRPR-IUCAKERBSA-N 1 0 348.266 2.836 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001576883067 1089506100 /nfs/dbraw/zinc/50/61/00/1089506100.db2.gz SNSSNNBSJPQILS-VWYCJHECSA-N 1 0 342.237 2.928 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001577096495 1089649534 /nfs/dbraw/zinc/64/95/34/1089649534.db2.gz OQKCLFAHIGGNJA-VKJFTORMSA-N 1 0 331.416 2.503 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001577096598 1089652481 /nfs/dbraw/zinc/65/24/81/1089652481.db2.gz RZBVYFRXSVZACR-HYVNUMGLSA-N 1 0 331.416 2.516 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH2+]C ZINC001577476193 1089995898 /nfs/dbraw/zinc/99/58/98/1089995898.db2.gz XBZOKTGJFABXJF-LLVKDONJSA-N 1 0 325.434 2.825 20 5 EFBDRO CCNc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC001577902522 1090209762 /nfs/dbraw/zinc/20/97/62/1090209762.db2.gz RKLFGGZWGIGAJS-OAHLLOKOSA-N 1 0 334.420 2.664 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001578224213 1090313311 /nfs/dbraw/zinc/31/33/11/1090313311.db2.gz NUKVKHQAJYEPEF-OAGGEKHMSA-N 1 0 332.404 2.582 20 5 EFBDRO CCc1cc(NC[C@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001578249285 1090318055 /nfs/dbraw/zinc/31/80/55/1090318055.db2.gz XTJUXZNUGMHPET-OAHLLOKOSA-N 1 0 341.415 2.590 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC001578478860 1090382398 /nfs/dbraw/zinc/38/23/98/1090382398.db2.gz WNRDFUOEROSHPE-DLBZAZTESA-N 1 0 333.432 2.893 20 5 EFBDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001578622348 1090411227 /nfs/dbraw/zinc/41/12/27/1090411227.db2.gz SEDLPIBNCMQRKF-AWEZNQCLSA-N 1 0 327.384 2.984 20 5 EFBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001578676651 1090418769 /nfs/dbraw/zinc/41/87/69/1090418769.db2.gz JFFPNBCAYJOPGO-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH2+]CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001578707282 1090423384 /nfs/dbraw/zinc/42/33/84/1090423384.db2.gz JJCHEZDZIHSNIP-UHFFFAOYSA-N 1 0 331.397 2.695 20 5 EFBDRO COc1cc(CN2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC001579150586 1090527938 /nfs/dbraw/zinc/52/79/38/1090527938.db2.gz ONUJVJWVGWKBID-CYBMUJFWSA-N 1 0 331.347 2.633 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001579181099 1090537055 /nfs/dbraw/zinc/53/70/55/1090537055.db2.gz XWKRZUFPMPRTQY-BBRMVZONSA-N 1 0 347.415 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)c1 ZINC001579242670 1090558773 /nfs/dbraw/zinc/55/87/73/1090558773.db2.gz WZJNATKNXGRLHT-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC001579480109 1090620122 /nfs/dbraw/zinc/62/01/22/1090620122.db2.gz BXBLIFIFEYYUHL-YOKBYHGQSA-N 1 0 331.416 2.940 20 5 EFBDRO C[C@H](NC(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccccc1[N+](=O)[O-] ZINC001579483271 1090621201 /nfs/dbraw/zinc/62/12/01/1090621201.db2.gz YXZCNSMJBMEOCY-NSHDSACASA-N 1 0 344.371 2.541 20 5 EFBDRO Cc1c(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579524516 1090626159 /nfs/dbraw/zinc/62/61/59/1090626159.db2.gz OXZARGBGYGNYRX-CQSZACIVSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC001579560429 1090633930 /nfs/dbraw/zinc/63/39/30/1090633930.db2.gz XHMBCHXCARSECY-OAHLLOKOSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001579595984 1090639554 /nfs/dbraw/zinc/63/95/54/1090639554.db2.gz OQMFQDPSTGWLGA-AWEZNQCLSA-N 1 0 343.383 2.975 20 5 EFBDRO Cc1cc(N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])s1 ZINC001579622016 1090645470 /nfs/dbraw/zinc/64/54/70/1090645470.db2.gz DMSRHIYULOJRJM-SCRDCRAPSA-N 1 0 325.434 2.687 20 5 EFBDRO Cc1cc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001579631266 1090646958 /nfs/dbraw/zinc/64/69/58/1090646958.db2.gz LEMTXEZZBKXYBY-KRWDZBQOSA-N 1 0 340.383 2.912 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH3+])CCc2ccccc21 ZINC001579642393 1090648923 /nfs/dbraw/zinc/64/89/23/1090648923.db2.gz DEARYVLVGAJFBZ-CQSZACIVSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(C3CC[NH2+]CC3)CC1)CC2 ZINC001579643620 1090649866 /nfs/dbraw/zinc/64/98/66/1090649866.db2.gz QPKSZXFIUDZYKP-UHFFFAOYSA-N 1 0 329.400 2.572 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)c1F ZINC001579642674 1090650001 /nfs/dbraw/zinc/65/00/01/1090650001.db2.gz POONQBWAIGSRSF-ZDUSSCGKSA-N 1 0 343.358 2.963 20 5 EFBDRO Cc1ccc(NC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001579720249 1090671202 /nfs/dbraw/zinc/67/12/02/1090671202.db2.gz VAPSVOKFKJFPGK-CYBMUJFWSA-N 1 0 332.404 2.899 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579733739 1090673544 /nfs/dbraw/zinc/67/35/44/1090673544.db2.gz AHFSRYZAOKICAO-SUMWQHHRSA-N 1 0 332.404 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579733738 1090673648 /nfs/dbraw/zinc/67/36/48/1090673648.db2.gz AHFSRYZAOKICAO-GUYCJALGSA-N 1 0 332.404 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1C ZINC001579734342 1090674028 /nfs/dbraw/zinc/67/40/28/1090674028.db2.gz FONQXEKOSFWDHP-QGZVFWFLSA-N 1 0 339.395 2.998 20 5 EFBDRO Cc1sc(NC(=O)[C@H]2CC[NH2+][C@H]2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579933915 1090725921 /nfs/dbraw/zinc/72/59/21/1090725921.db2.gz BIVJGSHNTUXNAV-ZANVPECISA-N 1 0 346.412 2.963 20 5 EFBDRO [NH3+][C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC001580206905 1090810369 /nfs/dbraw/zinc/81/03/69/1090810369.db2.gz NWKGWEMZKPPBJY-CABZTGNLSA-N 1 0 339.264 2.585 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001580207482 1090810647 /nfs/dbraw/zinc/81/06/47/1090810647.db2.gz UWPBBCMOZYYNAJ-ZDUSSCGKSA-N 1 0 343.408 2.604 20 5 EFBDRO [NH3+]CC1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001580240770 1090826757 /nfs/dbraw/zinc/82/67/57/1090826757.db2.gz PAFUQFHCGYWBEG-OAHLLOKOSA-N 1 0 331.416 2.820 20 5 EFBDRO [NH3+]CC1(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC001580241817 1090826826 /nfs/dbraw/zinc/82/68/26/1090826826.db2.gz RXUOLTJTXZMHQM-UHFFFAOYSA-N 1 0 332.385 2.786 20 5 EFBDRO [NH3+]C[C@]12CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]1CCCC2 ZINC001580253750 1090834360 /nfs/dbraw/zinc/83/43/60/1090834360.db2.gz RLFMVQNAHFCNGS-SCLBCKFNSA-N 1 0 343.383 2.932 20 5 EFBDRO [NH3+]C[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC001580264804 1090841278 /nfs/dbraw/zinc/84/12/78/1090841278.db2.gz WMGXRGGAIBEHOQ-CYBMUJFWSA-N 1 0 343.358 2.756 20 5 EFBDRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001580287348 1090848731 /nfs/dbraw/zinc/84/87/31/1090848731.db2.gz OCNCYOAGFPKFJX-VIFPVBQESA-N 1 0 346.309 2.816 20 5 EFBDRO [NH3+]CC[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001580288323 1090850212 /nfs/dbraw/zinc/85/02/12/1090850212.db2.gz IJMLNSFDNPNLLV-NSHDSACASA-N 1 0 346.412 2.529 20 5 EFBDRO [NH3+]CCOc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001580313264 1090859589 /nfs/dbraw/zinc/85/95/89/1090859589.db2.gz BASZMTDVFCHHFZ-UHFFFAOYSA-N 1 0 347.346 2.643 20 5 EFBDRO [NH3+]Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c(F)c1 ZINC001580337840 1090867829 /nfs/dbraw/zinc/86/78/29/1090867829.db2.gz WPKLOCWYXHKQSN-UHFFFAOYSA-N 1 0 342.330 2.604 20 5 EFBDRO [NH3+]Cc1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001580348484 1090872799 /nfs/dbraw/zinc/87/27/99/1090872799.db2.gz YRQGCNIHYNDTNW-UHFFFAOYSA-N 1 0 328.372 2.884 20 5 EFBDRO [NH3+]Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[nH]1 ZINC001580355769 1090877923 /nfs/dbraw/zinc/87/79/23/1090877923.db2.gz SNGSWUVTDIASAM-UHFFFAOYSA-N 1 0 345.746 2.836 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC001580393267 1090887528 /nfs/dbraw/zinc/88/75/28/1090887528.db2.gz RHIZPKKFHCTOTQ-JKSUJKDBSA-N 1 0 344.346 2.693 20 5 EFBDRO [NH3+][C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC001580395525 1090887863 /nfs/dbraw/zinc/88/78/63/1090887863.db2.gz TWCOXNBUIWRVFN-QWHCGFSZSA-N 1 0 336.754 2.713 20 5 EFBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC001580401358 1090889181 /nfs/dbraw/zinc/88/91/81/1090889181.db2.gz WXBQPWPMTWPXGA-IINYFYTJSA-N 1 0 333.294 2.940 20 5 EFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001580404739 1090890082 /nfs/dbraw/zinc/89/00/82/1090890082.db2.gz OCWOPTHIMXOIJA-HUUCEWRRSA-N 1 0 331.759 2.603 20 5 EFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580481243 1090914301 /nfs/dbraw/zinc/91/43/01/1090914301.db2.gz IEJCLQBKZXYPBK-QEJZJMRPSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[NH2+]C2 ZINC001580564701 1090951358 /nfs/dbraw/zinc/95/13/58/1090951358.db2.gz GWRWPKMVLTYVNR-UHFFFAOYSA-N 1 0 329.381 2.929 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001580573596 1090955236 /nfs/dbraw/zinc/95/52/36/1090955236.db2.gz CEZAVAWVAKITRQ-HNNXBMFYSA-N 1 0 349.406 2.515 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001580613528 1090966853 /nfs/dbraw/zinc/96/68/53/1090966853.db2.gz AWEDZEKKYOVEFP-GFCCVEGCSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001580761056 1090998985 /nfs/dbraw/zinc/99/89/85/1090998985.db2.gz HUNQJTFPZOPLNQ-KRWDZBQOSA-N 1 0 329.331 2.604 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001580761058 1090999402 /nfs/dbraw/zinc/99/94/02/1090999402.db2.gz HUNQJTFPZOPLNQ-QGZVFWFLSA-N 1 0 329.331 2.604 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001580767001 1091001953 /nfs/dbraw/zinc/00/19/53/1091001953.db2.gz QGPFONMTOJUJSX-MRXNPFEDSA-N 1 0 336.367 2.731 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001580799704 1091012648 /nfs/dbraw/zinc/01/26/48/1091012648.db2.gz OSPHCVJMKJEQJR-ZIAGYGMSSA-N 1 0 326.356 2.612 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001580799701 1091013160 /nfs/dbraw/zinc/01/31/60/1091013160.db2.gz OSPHCVJMKJEQJR-KGLIPLIRSA-N 1 0 326.356 2.612 20 5 EFBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001580810842 1091016657 /nfs/dbraw/zinc/01/66/57/1091016657.db2.gz DYMDPWAZXPSGCT-INIZCTEOSA-N 1 0 339.342 2.621 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001580821947 1091021106 /nfs/dbraw/zinc/02/11/06/1091021106.db2.gz JVDUIQKUEWSUFP-MLGOLLRUSA-N 1 0 335.379 2.728 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC001580876790 1091030852 /nfs/dbraw/zinc/03/08/52/1091030852.db2.gz UZAIPRPSCIYBHO-JQWIXIFHSA-N 1 0 346.250 2.793 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1C[NH2+]CCC1(F)F ZINC001580874864 1091031210 /nfs/dbraw/zinc/03/12/10/1091031210.db2.gz MMCVVVWEABDUHR-NSHDSACASA-N 1 0 339.264 2.700 20 5 EFBDRO O=[N+]([O-])c1sc(CN2CCC23CC[NH2+]CC3)cc1Br ZINC001580876676 1091031269 /nfs/dbraw/zinc/03/12/69/1091031269.db2.gz PLMPXGPMOXOZDR-UHFFFAOYSA-N 1 0 346.250 2.747 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1Br ZINC001580876019 1091031323 /nfs/dbraw/zinc/03/13/23/1091031323.db2.gz WVULANDHRDJBKW-TXEJJXNPSA-N 1 0 340.221 2.684 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC001580876650 1091031418 /nfs/dbraw/zinc/03/14/18/1091031418.db2.gz OMENWPOZYMHLBU-SNVBAGLBSA-N 1 0 346.250 2.793 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1cc(Br)no1)C[NH2+]C2 ZINC001167498851 1092387238 /nfs/dbraw/zinc/38/72/38/1092387238.db2.gz RNBPKWWWPCGLSA-UHFFFAOYSA-N 1 0 339.149 2.561 20 5 EFBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589321778 1093075147 /nfs/dbraw/zinc/07/51/47/1093075147.db2.gz PPIHIECBSXCRMC-UHFFFAOYSA-N 1 0 338.371 2.800 20 5 EFBDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001589965766 1093200004 /nfs/dbraw/zinc/20/00/04/1093200004.db2.gz PXGCUGKXJZEHHY-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590600219 1093509302 /nfs/dbraw/zinc/50/93/02/1093509302.db2.gz BQUYYPJRAXJDDV-LBPRGKRZSA-N 1 0 347.423 2.616 20 5 EFBDRO Cc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001591868334 1093904570 /nfs/dbraw/zinc/90/45/70/1093904570.db2.gz YSTRNYNQDGVSST-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1cc(NCC[NH+](C(C)C)C(C)C)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592048424 1093966718 /nfs/dbraw/zinc/96/67/18/1093966718.db2.gz BBZHAZNWORXQBI-UHFFFAOYSA-N 1 0 347.423 2.614 20 5 EFBDRO Cc1cccc([C@H](C)[NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c1 ZINC001592243822 1094044960 /nfs/dbraw/zinc/04/49/60/1094044960.db2.gz JXVSLZGUKHFWNW-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC001593474879 1094320296 /nfs/dbraw/zinc/32/02/96/1094320296.db2.gz BTUNLIOFVQKSOF-UHFFFAOYSA-N 1 0 344.762 2.718 20 5 EFBDRO Cc1nc(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218397516 1094481381 /nfs/dbraw/zinc/48/13/81/1094481381.db2.gz FAJAXFSFHATKLJ-CBAPKCEASA-N 1 0 330.182 2.580 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(F)cc1Br ZINC001218445044 1094787028 /nfs/dbraw/zinc/78/70/28/1094787028.db2.gz SXOOKHHXQTXFAA-JSTDYGSISA-N 1 0 331.141 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217944538 1095053467 /nfs/dbraw/zinc/05/34/67/1095053467.db2.gz FGBQGNOLTCPIOX-ONGXEEELSA-N 1 0 333.157 2.826 20 5 EFBDRO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000782634422 1095191150 /nfs/dbraw/zinc/19/11/50/1095191150.db2.gz QOAWKWDTIHOUDP-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217976753 1095206256 /nfs/dbraw/zinc/20/62/56/1095206256.db2.gz LGXLIIDJDYCJEN-ZYHUDNBSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCC[NH+]1CCSCC1 ZINC001167835388 1095331436 /nfs/dbraw/zinc/33/14/36/1095331436.db2.gz ULHDPORFXYNPNO-UHFFFAOYSA-N 1 0 336.392 2.743 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CC[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001218031107 1095441649 /nfs/dbraw/zinc/44/16/49/1095441649.db2.gz MSPRCAUMXZGMJJ-KWQFWETISA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C[C@@H]1F ZINC001218071413 1095532642 /nfs/dbraw/zinc/53/26/42/1095532642.db2.gz PJYDUJACJAAWPU-ONGXEEELSA-N 1 0 333.157 2.745 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603891559 1096661463 /nfs/dbraw/zinc/66/14/63/1096661463.db2.gz STQDPUBYFYCEGQ-BXUZGUMPSA-N 1 0 330.392 2.785 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001604061199 1096714903 /nfs/dbraw/zinc/71/49/03/1096714903.db2.gz KRYORILXIVPNSW-OLZOCXBDSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604284271 1096794879 /nfs/dbraw/zinc/79/48/79/1096794879.db2.gz DAOZDARRNNNPPY-GFCCVEGCSA-N 1 0 347.423 2.697 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001605755064 1097216836 /nfs/dbraw/zinc/21/68/36/1097216836.db2.gz BTAKHPOKBRPOGI-UHFFFAOYSA-N 1 0 338.371 2.715 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])s1 ZINC001605828626 1097241466 /nfs/dbraw/zinc/24/14/66/1097241466.db2.gz WAFSQJLCRKPYPU-SNVBAGLBSA-N 1 0 344.400 2.996 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001609124515 1098158661 /nfs/dbraw/zinc/15/86/61/1098158661.db2.gz BSTUVAUAOYUUKR-SNVBAGLBSA-N 1 0 342.334 2.765 20 5 EFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609199813 1098196990 /nfs/dbraw/zinc/19/69/90/1098196990.db2.gz GLTYCMZJXJDEOM-RISCZKNCSA-N 1 0 330.392 2.833 20 5 EFBDRO CCC[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001609206532 1098200011 /nfs/dbraw/zinc/20/00/11/1098200011.db2.gz CLRDHFCTJZJCKA-GFCCVEGCSA-N 1 0 330.392 2.787 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCCCCCCC1 ZINC001609599858 1098394603 /nfs/dbraw/zinc/39/46/03/1098394603.db2.gz FBWULRCYAADQRK-UHFFFAOYSA-N 1 0 330.392 2.931 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC001609602642 1098395846 /nfs/dbraw/zinc/39/58/46/1098395846.db2.gz AVHJEILOWTWAPB-OAHLLOKOSA-N 1 0 342.403 2.930 20 5 EFBDRO CCCC[NH+](CCCC)CCNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167732307 1098631697 /nfs/dbraw/zinc/63/16/97/1098631697.db2.gz WQILYPQUWQEGCW-UHFFFAOYSA-N 1 0 328.388 2.681 20 5 EFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccnc3c1ccc1cccnc13)CC2 ZINC001270442101 1099092632 /nfs/dbraw/zinc/09/26/32/1099092632.db2.gz SHXHPYVTZZJVQC-UHFFFAOYSA-N 1 0 346.434 2.951 20 5 EFBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000749637571 1099152825 /nfs/dbraw/zinc/15/28/25/1099152825.db2.gz BKJDIWYFTAWNCJ-QGZVFWFLSA-N 1 0 335.448 2.872 20 5 EFBDRO COCCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894391704 1099197458 /nfs/dbraw/zinc/19/74/58/1099197458.db2.gz RKBYHFILZRWUKC-UHFFFAOYSA-N 1 0 334.372 2.888 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000843770261 1099760756 /nfs/dbraw/zinc/76/07/56/1099760756.db2.gz WUKJOFPCLXYYAN-UHFFFAOYSA-N 1 0 335.379 2.647 20 5 EFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729516157 1100072713 /nfs/dbraw/zinc/07/27/13/1100072713.db2.gz KCJSFQXDFAVSFB-UHFFFAOYSA-N 1 0 348.447 2.870 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCC[NH+](C)C ZINC000729516584 1100076676 /nfs/dbraw/zinc/07/66/76/1100076676.db2.gz ZWTCGSYVWIMICD-UHFFFAOYSA-N 1 0 327.812 2.939 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843780215 1100439784 /nfs/dbraw/zinc/43/97/84/1100439784.db2.gz CCQUSNXJUUNSLM-UHFFFAOYSA-N 1 0 342.399 2.511 20 5 EFBDRO COC[C@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840103139 1100825112 /nfs/dbraw/zinc/82/51/12/1100825112.db2.gz AZACKQKTXARKFW-QGZVFWFLSA-N 1 0 330.388 2.774 20 5 EFBDRO Cc1nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840153774 1100849946 /nfs/dbraw/zinc/84/99/46/1100849946.db2.gz LSUXXTKATVZEFT-HNNXBMFYSA-N 1 0 331.420 2.625 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000840776258 1101670866 /nfs/dbraw/zinc/67/08/66/1101670866.db2.gz HWMWMTPCUAWCHJ-SJORKVTESA-N 1 0 334.416 2.765 20 5 EFBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167122074 1101797124 /nfs/dbraw/zinc/79/71/24/1101797124.db2.gz ZLTVVFPNQYEBES-UHFFFAOYSA-N 1 0 341.327 2.870 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167159508 1101957165 /nfs/dbraw/zinc/95/71/65/1101957165.db2.gz BLKCURCBSPVRMD-UHFFFAOYSA-N 1 0 342.374 2.770 20 5 EFBDRO O=[N+]([O-])c1cnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(F)c1 ZINC001167159539 1101963379 /nfs/dbraw/zinc/96/33/79/1101963379.db2.gz CQQOTMQGFYNKJL-UHFFFAOYSA-N 1 0 342.374 2.770 20 5 EFBDRO Cc1ccnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001167160681 1101964779 /nfs/dbraw/zinc/96/47/79/1101964779.db2.gz XNUMHZUCABDVJT-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO O=C(CCCC(F)(F)F)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167252583 1102151731 /nfs/dbraw/zinc/15/17/31/1102151731.db2.gz OKHPSCLEZUQCSM-UHFFFAOYSA-N 1 0 347.337 2.923 20 5 EFBDRO CCOC(=O)c1ccc(-n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001167313235 1102525351 /nfs/dbraw/zinc/52/53/51/1102525351.db2.gz HMEWZJXKRRVJJL-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CCOCC1 ZINC001210444966 1102583674 /nfs/dbraw/zinc/58/36/74/1102583674.db2.gz RCZXPAAOQOFATN-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783609588 1102691573 /nfs/dbraw/zinc/69/15/73/1102691573.db2.gz ZREMSGGLLMOMQO-NSHDSACASA-N 1 0 327.768 2.569 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]CC[N+](=O)[O-])ccc21 ZINC000905274853 1103021253 /nfs/dbraw/zinc/02/12/53/1103021253.db2.gz SYUQDNOVALNZSJ-UHFFFAOYSA-N 1 0 335.404 2.741 20 5 EFBDRO COc1ccc(F)cc1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905477988 1103210472 /nfs/dbraw/zinc/21/04/72/1103210472.db2.gz GFTRAIMSRUFCHT-INIZCTEOSA-N 1 0 334.347 2.608 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000905642341 1103458201 /nfs/dbraw/zinc/45/82/01/1103458201.db2.gz AIWFSUQVPLZNIW-HZPDHXFCSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1Cl ZINC000783676155 1103736774 /nfs/dbraw/zinc/73/67/74/1103736774.db2.gz DKIYYOLIVNDJSH-UHFFFAOYSA-N 1 0 338.820 2.883 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001168383837 1104158515 /nfs/dbraw/zinc/15/85/15/1104158515.db2.gz JGSGEWROOUJBOW-UHFFFAOYSA-N 1 0 333.413 2.874 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC1(C)CC[NH2+]CC1 ZINC001168189737 1104354005 /nfs/dbraw/zinc/35/40/05/1104354005.db2.gz ZVBQZZUKHJRVDC-UHFFFAOYSA-N 1 0 327.768 2.589 20 5 EFBDRO CSCC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(C)(C)O ZINC001168212785 1104537323 /nfs/dbraw/zinc/53/73/23/1104537323.db2.gz JLIUAMGSBMIOHY-CQSZACIVSA-N 1 0 325.434 2.503 20 5 EFBDRO [NH3+]Cc1cnn(-c2c3ccc(Br)cc3ncc2[N+](=O)[O-])c1 ZINC001168261334 1104613038 /nfs/dbraw/zinc/61/30/38/1104613038.db2.gz CKJJOCMQUUKKOV-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO C[N+](C)(C)CCO[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001224772514 1104702609 /nfs/dbraw/zinc/70/26/09/1104702609.db2.gz ACPUJFZNWHZZRX-OAHLLOKOSA-N 1 0 328.274 2.751 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000897891715 1106133689 /nfs/dbraw/zinc/13/36/89/1106133689.db2.gz MSJFAXMNWBGEQD-NVXWUHKLSA-N 1 0 332.356 2.748 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(Cl)c1 ZINC001168342657 1107339355 /nfs/dbraw/zinc/33/93/55/1107339355.db2.gz OUXCYVSAXRTXRF-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000904622302 1108047117 /nfs/dbraw/zinc/04/71/17/1108047117.db2.gz GVQAKZUZFXIQHM-UHFFFAOYSA-N 1 0 339.355 2.956 20 5 EFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1 ZINC000904623397 1108047907 /nfs/dbraw/zinc/04/79/07/1108047907.db2.gz CJCYJWBCGFMEDK-UHFFFAOYSA-N 1 0 339.355 2.956 20 5 EFBDRO CC(C)N1CCC[C@@H]1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000923888819 1108224407 /nfs/dbraw/zinc/22/44/07/1108224407.db2.gz GIJUBOOAMCGNPP-CYBMUJFWSA-N 1 0 333.344 2.652 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990612849 1108386070 /nfs/dbraw/zinc/38/60/70/1108386070.db2.gz WVKKOXHXSNLFSS-VMPITWQZSA-N 1 0 329.400 2.642 20 5 EFBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000905107149 1108407687 /nfs/dbraw/zinc/40/76/87/1108407687.db2.gz VHQXQROVVJHCCQ-UHFFFAOYSA-N 1 0 332.231 2.824 20 5 EFBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000905236183 1108558976 /nfs/dbraw/zinc/55/89/76/1108558976.db2.gz DUBGFQNXEPXNIL-NSHDSACASA-N 1 0 328.237 2.719 20 5 EFBDRO O=[N+]([O-])c1cc(NCC2(N3CCCC3)COC2)cc(C(F)(F)F)c1 ZINC001168451372 1108648344 /nfs/dbraw/zinc/64/83/44/1108648344.db2.gz LNCDDMYOGLCOOP-UHFFFAOYSA-N 1 0 345.321 2.890 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167055597 1108765510 /nfs/dbraw/zinc/76/55/10/1108765510.db2.gz INGNGMNPQFUXML-QMMMGPOBSA-N 1 0 342.186 2.949 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843805492 1109213176 /nfs/dbraw/zinc/21/31/76/1109213176.db2.gz GAPOQHMCCRQNEZ-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO COc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000899323879 1109282514 /nfs/dbraw/zinc/28/25/14/1109282514.db2.gz SCVSMBITFSQKEF-LBPRGKRZSA-N 1 0 334.347 2.519 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000843806340 1109451456 /nfs/dbraw/zinc/45/14/56/1109451456.db2.gz UGCZCZYUSCZIDW-LLVKDONJSA-N 1 0 325.384 2.748 20 5 EFBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000899873790 1109530146 /nfs/dbraw/zinc/53/01/46/1109530146.db2.gz UNOLVVNYKAKZFH-UHFFFAOYSA-N 1 0 332.322 2.620 20 5 EFBDRO CC1(C)C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159495793 1109664643 /nfs/dbraw/zinc/66/46/43/1109664643.db2.gz LFGRYDOAULHDHU-UHFFFAOYSA-N 1 0 328.210 2.541 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000159495054 1109665539 /nfs/dbraw/zinc/66/55/39/1109665539.db2.gz AAMREEGSIHZNJK-NXEZZACHSA-N 1 0 328.210 2.540 20 5 EFBDRO O=C(C=C1CCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990955597 1110065209 /nfs/dbraw/zinc/06/52/09/1110065209.db2.gz SAWATSSFDKZUAX-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001112352974 1111215754 /nfs/dbraw/zinc/21/57/54/1111215754.db2.gz LESGNSBOVWWUHQ-UHFFFAOYSA-N 1 0 348.447 2.728 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+]1CCCC1 ZINC001106780154 1111826248 /nfs/dbraw/zinc/82/62/48/1111826248.db2.gz YFGSYKHHKUGGRQ-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001106789538 1111838236 /nfs/dbraw/zinc/83/82/36/1111838236.db2.gz SMJOOGOXUXIFTR-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001106847962 1111910601 /nfs/dbraw/zinc/91/06/01/1111910601.db2.gz MWIAUOKINDDZCG-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001106926739 1118611276 /nfs/dbraw/zinc/61/12/76/1118611276.db2.gz VMYSCTPJGDTQQX-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072513740 1119701379 /nfs/dbraw/zinc/70/13/79/1119701379.db2.gz MRFVHJJRCYEULY-UHFFFAOYSA-N 1 0 332.360 2.660 20 5 EFBDRO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNc2ccccc2[N+](=O)[O-])CC1 ZINC001111645283 1120004354 /nfs/dbraw/zinc/00/43/54/1120004354.db2.gz FZSBXHFAIGROTN-SHTZXODSSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050164182 214048268 /nfs/dbraw/zinc/04/82/68/214048268.db2.gz ITHLOUZKIIEIGK-BDAKNGLRSA-N 1 0 329.198 2.552 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053404303 214181734 /nfs/dbraw/zinc/18/17/34/214181734.db2.gz SBIONPKAWYJJHI-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000261435650 290623819 /nfs/dbraw/zinc/62/38/19/290623819.db2.gz DXPNEIOSCFBZNM-MELADBBJSA-N 1 0 348.447 2.733 20 5 EFBDRO COc1ccc(OCC[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000173719977 231013317 /nfs/dbraw/zinc/01/33/17/231013317.db2.gz IXWURRXJEFJKOK-UHFFFAOYSA-N 1 0 337.401 2.879 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984518 214740341 /nfs/dbraw/zinc/74/03/41/214740341.db2.gz CLOUYOHUXWPLPC-LLVKDONJSA-N 1 0 343.225 2.673 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055749944 214340465 /nfs/dbraw/zinc/34/04/65/214340465.db2.gz XFZANVFTLJAGIJ-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176697447 529610800 /nfs/dbraw/zinc/61/08/00/529610800.db2.gz MHDKKHFIMRCBAW-QGZVFWFLSA-N 1 0 346.431 2.783 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000447518146 282249220 /nfs/dbraw/zinc/24/92/20/282249220.db2.gz VHHNXTVAHAMUSC-RRFJBIMHSA-N 1 0 347.419 2.761 20 5 EFBDRO Nc1c(C(=O)NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000176616532 231694760 /nfs/dbraw/zinc/69/47/60/231694760.db2.gz AFCJTKZRSBPHNO-UHFFFAOYSA-N 1 0 334.420 2.563 20 5 EFBDRO CNC(=O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179408300 529856887 /nfs/dbraw/zinc/85/68/87/529856887.db2.gz PGISZLBGJAJSIA-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO C[N@H+](CCCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000180906937 529891190 /nfs/dbraw/zinc/89/11/90/529891190.db2.gz UVABJJJXYXRCQZ-UHFFFAOYSA-N 1 0 334.420 2.561 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000179030624 529958780 /nfs/dbraw/zinc/95/87/80/529958780.db2.gz UPKDIYKYSHJEDB-UHFFFAOYSA-N 1 0 333.413 2.881 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000178351426 529980418 /nfs/dbraw/zinc/98/04/18/529980418.db2.gz UTOXDZRVBLLLBE-JQWIXIFHSA-N 1 0 325.796 2.724 20 5 EFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000133139205 529999851 /nfs/dbraw/zinc/99/98/51/529999851.db2.gz QKHHZNNZENZYAQ-UHFFFAOYSA-N 1 0 331.372 2.828 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175501319 530048849 /nfs/dbraw/zinc/04/88/49/530048849.db2.gz ZDXJBHWHDJPPEC-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1Cl ZINC000178012767 232059546 /nfs/dbraw/zinc/05/95/46/232059546.db2.gz FIHWQALCJWSGRG-LBPRGKRZSA-N 1 0 326.780 2.833 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101912114 219171942 /nfs/dbraw/zinc/17/19/42/219171942.db2.gz QXYCVMFKLBYDRT-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101912665 219172525 /nfs/dbraw/zinc/17/25/25/219172525.db2.gz XPEXSZVCBSATBV-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO Cc1nc([N+](=O)[O-])c(Br)n1Cc1nccn1C(F)F ZINC000102202056 219190672 /nfs/dbraw/zinc/19/06/72/219190672.db2.gz OWUXIOZXXZBFFK-UHFFFAOYSA-N 1 0 336.096 2.502 20 5 EFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377572 215036575 /nfs/dbraw/zinc/03/65/75/215036575.db2.gz OZGMPQIQJGZNPU-GUTXKFCHSA-N 1 0 339.461 2.730 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102640869 219217729 /nfs/dbraw/zinc/21/77/29/219217729.db2.gz GINXDTOCWLAYNH-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[NH+](C)CCCOc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000103135179 219261015 /nfs/dbraw/zinc/26/10/15/219261015.db2.gz CDYWFSLYUSVKEL-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EFBDRO COc1ccc(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000103144966 219262102 /nfs/dbraw/zinc/26/21/02/219262102.db2.gz BWRIRXDTHBUCRF-UHFFFAOYSA-N 1 0 343.383 2.643 20 5 EFBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343724795 535109577 /nfs/dbraw/zinc/10/95/77/535109577.db2.gz YYYABCXRNAGJJH-MRXNPFEDSA-N 1 0 345.399 2.640 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000179692348 233329148 /nfs/dbraw/zinc/32/91/48/233329148.db2.gz NWNXBANLVDZHDJ-MRXNPFEDSA-N 1 0 346.358 2.753 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068509957 215313793 /nfs/dbraw/zinc/31/37/93/215313793.db2.gz WAJAREQMSDLHTN-MRXNPFEDSA-N 1 0 342.399 2.518 20 5 EFBDRO COc1cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)ccc1O ZINC000104195182 219359925 /nfs/dbraw/zinc/35/99/25/219359925.db2.gz ZJKZEVIVJJIZAD-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180934962 234034182 /nfs/dbraw/zinc/03/41/82/234034182.db2.gz LRNHSUMBJUNNDJ-ZIAGYGMSSA-N 1 0 348.447 2.665 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000181401737 234175402 /nfs/dbraw/zinc/17/54/02/234175402.db2.gz JSHWVXDJUQZGIU-OAHLLOKOSA-N 1 0 341.411 2.913 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000181471745 234198266 /nfs/dbraw/zinc/19/82/66/234198266.db2.gz XXNSTWSORAPPIR-AWEZNQCLSA-N 1 0 342.399 2.800 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000181839584 234345704 /nfs/dbraw/zinc/34/57/04/234345704.db2.gz VTBHOWFIVOCWQV-HNNXBMFYSA-N 1 0 341.411 2.913 20 5 EFBDRO Cc1c(CC(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000128216424 222925667 /nfs/dbraw/zinc/92/56/67/222925667.db2.gz FUWXIIZCBUEIQI-UHFFFAOYSA-N 1 0 345.443 2.969 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183330129 235010970 /nfs/dbraw/zinc/01/09/70/235010970.db2.gz IYRKXAWZEBSQKL-GFCCVEGCSA-N 1 0 345.403 2.625 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000183473781 235098590 /nfs/dbraw/zinc/09/85/90/235098590.db2.gz WRYBFYPZYLCKIQ-XPTSAGLGSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183602290 235159062 /nfs/dbraw/zinc/15/90/62/235159062.db2.gz OFLKXZXSTLHZFY-ZDUSSCGKSA-N 1 0 335.408 2.766 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000341286077 291068382 /nfs/dbraw/zinc/06/83/82/291068382.db2.gz PYIDGYURCKGHFT-ZFWWWQNUSA-N 1 0 326.400 2.973 20 5 EFBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353773901 146557213 /nfs/dbraw/zinc/55/72/13/146557213.db2.gz GGIVYEBFNYWADR-ZIAGYGMSSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246434998 295934583 /nfs/dbraw/zinc/93/45/83/295934583.db2.gz DAJIIBXEGKLXQP-UPJWGTAASA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342738671 291126848 /nfs/dbraw/zinc/12/68/48/291126848.db2.gz JRFYDOFTNOESQK-STQMWFEESA-N 1 0 342.399 2.775 20 5 EFBDRO CSc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000188024043 236388892 /nfs/dbraw/zinc/38/88/92/236388892.db2.gz MBESAEDCOPUBDO-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070171309 283443631 /nfs/dbraw/zinc/44/36/31/283443631.db2.gz HAHLEUDZLHZWEZ-JTQLQIEISA-N 1 0 328.210 2.923 20 5 EFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189903699 237381800 /nfs/dbraw/zinc/38/18/00/237381800.db2.gz RTXOJGDZWBDCET-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237965448 283499450 /nfs/dbraw/zinc/49/94/50/283499450.db2.gz URXKZXRWPHZQKL-CYBMUJFWSA-N 1 0 346.412 2.672 20 5 EFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257421 223036852 /nfs/dbraw/zinc/03/68/52/223036852.db2.gz ZQTGPBWGHOGLPA-CJNGLKHVSA-N 1 0 340.445 2.879 20 5 EFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000178694153 296019545 /nfs/dbraw/zinc/01/95/45/296019545.db2.gz RBDNRCOIIMKRGZ-HZSPNIEDSA-N 1 0 348.447 2.544 20 5 EFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073024985 216341699 /nfs/dbraw/zinc/34/16/99/216341699.db2.gz YDYCHSAPSVUMBZ-UHFFFAOYSA-N 1 0 343.387 2.700 20 5 EFBDRO [NH3+]CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 ZINC000154334531 238939205 /nfs/dbraw/zinc/93/92/05/238939205.db2.gz GJZBSZLUTACJQY-UHFFFAOYSA-N 1 0 349.434 2.542 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159284200 239022940 /nfs/dbraw/zinc/02/29/40/239022940.db2.gz NUNQCTAGOBNNSX-ZDUSSCGKSA-N 1 0 335.404 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000132092751 223299343 /nfs/dbraw/zinc/29/93/43/223299343.db2.gz JRBFYNCEVCZBDK-UHFFFAOYSA-N 1 0 326.400 2.922 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346126970 291306152 /nfs/dbraw/zinc/30/61/52/291306152.db2.gz GYVSKCUOEPKAQO-SWLSCSKDSA-N 1 0 342.399 2.775 20 5 EFBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000192779832 283758208 /nfs/dbraw/zinc/75/82/08/283758208.db2.gz NXBCVSNOVXWBBH-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO C[C@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[N@@H+]1C ZINC000345740979 291307998 /nfs/dbraw/zinc/30/79/98/291307998.db2.gz HXTQSOYNRIATNU-XJKSGUPXSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132407209 223327662 /nfs/dbraw/zinc/32/76/62/223327662.db2.gz CZQAMVXLNLSVBQ-SMDDNHRTSA-N 1 0 335.404 2.858 20 5 EFBDRO COc1cccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000192459610 240048344 /nfs/dbraw/zinc/04/83/44/240048344.db2.gz XQTBXXYYXMKJNY-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000193200829 240056013 /nfs/dbraw/zinc/05/60/13/240056013.db2.gz IDZDMYKKLSZMQV-UHFFFAOYSA-N 1 0 340.445 2.879 20 5 EFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193197587 240091111 /nfs/dbraw/zinc/09/11/11/240091111.db2.gz PTSSXNLNBPGJDQ-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193390224 240140728 /nfs/dbraw/zinc/14/07/28/240140728.db2.gz NGAGWAYKLLVQML-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO Cc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000193634486 240245188 /nfs/dbraw/zinc/24/51/88/240245188.db2.gz PYTDZJFASCHOJT-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000226357440 242101292 /nfs/dbraw/zinc/10/12/92/242101292.db2.gz LDEQWMZPTHKCCG-MRVPVSSYSA-N 1 0 329.198 2.647 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000231628685 242269502 /nfs/dbraw/zinc/26/95/02/242269502.db2.gz BLIGMGKHYXBJHL-UHFFFAOYSA-N 1 0 331.214 2.752 20 5 EFBDRO C[C@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000235736299 242285033 /nfs/dbraw/zinc/28/50/33/242285033.db2.gz DSKBMEISEOQLPQ-LBPRGKRZSA-N 1 0 329.198 2.554 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000236810205 242366112 /nfs/dbraw/zinc/36/61/12/242366112.db2.gz QZXHTKHSUMEFBL-UHFFFAOYSA-N 1 0 341.433 2.573 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236674677 242314552 /nfs/dbraw/zinc/31/45/52/242314552.db2.gz DSUJLZGDWRLGNG-QGZVFWFLSA-N 1 0 336.436 2.667 20 5 EFBDRO COc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000411042199 242690501 /nfs/dbraw/zinc/69/05/01/242690501.db2.gz DGKYFUZTIYSGRZ-UHFFFAOYSA-N 1 0 341.383 2.593 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000133436325 223415554 /nfs/dbraw/zinc/41/55/54/223415554.db2.gz QVUXDVRPTSOAEM-SJCJKPOMSA-N 1 0 337.395 2.974 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237812663 242805526 /nfs/dbraw/zinc/80/55/26/242805526.db2.gz GQMAQIQDKFBGAX-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000411410768 242825726 /nfs/dbraw/zinc/82/57/26/242825726.db2.gz WNYCPHODDDSAEN-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000412002515 243066003 /nfs/dbraw/zinc/06/60/03/243066003.db2.gz UKKYJVJWNDQVCE-QGZVFWFLSA-N 1 0 342.399 2.645 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411934056 243033991 /nfs/dbraw/zinc/03/39/91/243033991.db2.gz HCHDPELRGZOEAZ-AEFFLSMTSA-N 1 0 328.368 2.782 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951240 243041367 /nfs/dbraw/zinc/04/13/67/243041367.db2.gz PUQCRDXSCXCEAM-GTNSWQLSSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972838 243050150 /nfs/dbraw/zinc/05/01/50/243050150.db2.gz QRQPJWHFECHTJS-DIFFPNOSSA-N 1 0 346.387 2.938 20 5 EFBDRO CC[N@@H+](Cc1occc1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412035341 243085059 /nfs/dbraw/zinc/08/50/59/243085059.db2.gz FTNGZVVIKOQTRD-OAHLLOKOSA-N 1 0 334.372 2.758 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000245381459 243104190 /nfs/dbraw/zinc/10/41/90/243104190.db2.gz CMOWBLWCOGOTIH-GRYCIOLGSA-N 1 0 349.387 2.676 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000412007674 243070164 /nfs/dbraw/zinc/07/01/64/243070164.db2.gz KAVZLWPEMZJZAA-ZWKOTPCHSA-N 1 0 343.427 2.785 20 5 EFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412095721 243134862 /nfs/dbraw/zinc/13/48/62/243134862.db2.gz TXZOWVHHHNCBER-TZMCWYRMSA-N 1 0 331.372 2.843 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412152941 243172042 /nfs/dbraw/zinc/17/20/42/243172042.db2.gz MKJIGXLEJYLSSN-CQSZACIVSA-N 1 0 349.431 2.796 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412165822 243180508 /nfs/dbraw/zinc/18/05/08/243180508.db2.gz WXYMWKGVBRDJBD-FHLIZLRMSA-N 1 0 345.443 2.889 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000412189186 243193695 /nfs/dbraw/zinc/19/36/95/243193695.db2.gz CTEUOFMNOVASAS-DZJNRPSUSA-N 1 0 343.427 2.641 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000246480999 243261904 /nfs/dbraw/zinc/26/19/04/243261904.db2.gz RSCNRMAIVFLGFA-BBRMVZONSA-N 1 0 332.404 2.536 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412248799 243227641 /nfs/dbraw/zinc/22/76/41/243227641.db2.gz MRDRIWVUUVYOBH-UHFFFAOYSA-N 1 0 347.415 2.764 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000412263145 243235015 /nfs/dbraw/zinc/23/50/15/243235015.db2.gz YZARZZVTCCKCSB-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246359516 243236183 /nfs/dbraw/zinc/23/61/83/243236183.db2.gz KJJZFNMGTBUDCZ-STQMWFEESA-N 1 0 345.403 2.589 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000246737106 243305511 /nfs/dbraw/zinc/30/55/11/243305511.db2.gz AVCSVBALQNRZQN-BDJLRTHQSA-N 1 0 330.388 2.535 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000412340599 243278158 /nfs/dbraw/zinc/27/81/58/243278158.db2.gz RFEMZBDLHCBUJX-VQTPCSAVSA-N 1 0 343.427 2.782 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246834397 243321683 /nfs/dbraw/zinc/32/16/83/243321683.db2.gz KGBRSIDTARCCIP-LBTNJELSSA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246995475 243351110 /nfs/dbraw/zinc/35/11/10/243351110.db2.gz FIILYVCGIYQCQP-XEZPLFJOSA-N 1 0 332.404 2.534 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1[NH+](C)C ZINC000413211922 243543900 /nfs/dbraw/zinc/54/39/00/243543900.db2.gz QLZHUTPCUXSSCQ-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248524411 243580604 /nfs/dbraw/zinc/58/06/04/243580604.db2.gz TUWVYDRLGKFGAL-WWGRRREGSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000252705831 243870073 /nfs/dbraw/zinc/87/00/73/243870073.db2.gz RMVKYRYIHNPMJR-BXKDBHETSA-N 1 0 328.210 2.526 20 5 EFBDRO COC1([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414319056 244086436 /nfs/dbraw/zinc/08/64/36/244086436.db2.gz RACLGOXRPKFPMZ-STQMWFEESA-N 1 0 335.404 2.859 20 5 EFBDRO Cn1cc(C[N@@H+]2CCCO[C@H](CF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414479270 244188390 /nfs/dbraw/zinc/18/83/90/244188390.db2.gz RPTVUYKGGZHXEP-MRXNPFEDSA-N 1 0 348.378 2.556 20 5 EFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414497234 244197536 /nfs/dbraw/zinc/19/75/36/244197536.db2.gz JWVOKOJPLINHHB-CQSZACIVSA-N 1 0 343.383 2.765 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414515758 244205005 /nfs/dbraw/zinc/20/50/05/244205005.db2.gz MUQMRRVVIIXAJP-RAXLEYEMSA-N 1 0 340.445 2.801 20 5 EFBDRO [NH3+]C1(c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCCC1 ZINC000414611852 244254125 /nfs/dbraw/zinc/25/41/25/244254125.db2.gz CXNDPUWCTOQAIA-UHFFFAOYSA-N 1 0 327.344 2.709 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCOC3)o2)c1 ZINC000414562892 244237384 /nfs/dbraw/zinc/23/73/84/244237384.db2.gz UCGJPIMTHCXAKF-RHSMWYFYSA-N 1 0 346.383 2.732 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414655784 244278447 /nfs/dbraw/zinc/27/84/47/244278447.db2.gz HJUYIYNSTQKIJY-CZUORRHYSA-N 1 0 332.404 2.981 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000414704420 244299376 /nfs/dbraw/zinc/29/93/76/244299376.db2.gz NFTXJJHNJHQIJV-ZIAGYGMSSA-N 1 0 332.404 2.757 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414871707 244379564 /nfs/dbraw/zinc/37/95/64/244379564.db2.gz VHJGRNNUXMUXMY-LBPRGKRZSA-N 1 0 331.372 2.705 20 5 EFBDRO COc1ccc(-c2ccc(CNCC3([NH3+])CCC3)o2)c([N+](=O)[O-])c1 ZINC000414876965 244383941 /nfs/dbraw/zinc/38/39/41/244383941.db2.gz MBSYFVUTFSRHNA-UHFFFAOYSA-N 1 0 331.372 2.834 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415665944 244444829 /nfs/dbraw/zinc/44/48/29/244444829.db2.gz WARVLCIRKAMYMT-YUTCNCBUSA-N 1 0 348.403 2.585 20 5 EFBDRO C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000417128856 245034983 /nfs/dbraw/zinc/03/49/83/245034983.db2.gz JLFKEVDKMFJVCO-LBPRGKRZSA-N 1 0 340.383 2.758 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140030 245040075 /nfs/dbraw/zinc/04/00/75/245040075.db2.gz PEEPBUVZWCYPRT-LRDDRELGSA-N 1 0 334.420 2.863 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417146620 245042079 /nfs/dbraw/zinc/04/20/79/245042079.db2.gz YNWKOIKLWWSDIR-DYVFJYSZSA-N 1 0 346.431 2.829 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000447071825 284222627 /nfs/dbraw/zinc/22/26/27/284222627.db2.gz CROMZSWOIWLMLY-SFHVURJKSA-N 1 0 346.358 2.954 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)C1CC1 ZINC000417389999 245078245 /nfs/dbraw/zinc/07/82/45/245078245.db2.gz QETDDBYLSPDFPN-HUUCEWRRSA-N 1 0 339.386 2.845 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418312147 245118465 /nfs/dbraw/zinc/11/84/65/245118465.db2.gz NHAMFWVTMFRPAK-OLZOCXBDSA-N 1 0 334.420 2.517 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121922 245112919 /nfs/dbraw/zinc/11/29/19/245112919.db2.gz JFEXONKATDNOEC-XQQFMLRXSA-N 1 0 336.388 2.623 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418328781 245122906 /nfs/dbraw/zinc/12/29/06/245122906.db2.gz AXDQKTBANXDQCB-HIFRSBDPSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418328783 245123814 /nfs/dbraw/zinc/12/38/14/245123814.db2.gz AXDQKTBANXDQCB-ZFWWWQNUSA-N 1 0 346.431 2.657 20 5 EFBDRO CC1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]CC1 ZINC000418521890 245182158 /nfs/dbraw/zinc/18/21/58/245182158.db2.gz RZDSQGRBGFBMHR-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547637 245190125 /nfs/dbraw/zinc/19/01/25/245190125.db2.gz JISVBYJTBSNMFI-OAHLLOKOSA-N 1 0 334.420 2.657 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418557651 245191727 /nfs/dbraw/zinc/19/17/27/245191727.db2.gz WUKPNOMMMIEPCD-GOSISDBHSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000418632560 245219029 /nfs/dbraw/zinc/21/90/29/245219029.db2.gz ZDXKBFBOTWUHRX-AWEZNQCLSA-N 1 0 334.420 2.647 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418644143 245222751 /nfs/dbraw/zinc/22/27/51/245222751.db2.gz PLLIYRKYWBDQPM-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418644142 245223913 /nfs/dbraw/zinc/22/39/13/245223913.db2.gz PLLIYRKYWBDQPM-INIZCTEOSA-N 1 0 348.447 2.557 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418796740 245294496 /nfs/dbraw/zinc/29/44/96/245294496.db2.gz UDEKSPWOOBJWAZ-KBMXLJTQSA-N 1 0 346.431 2.611 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419321812 245379317 /nfs/dbraw/zinc/37/93/17/245379317.db2.gz ROTOPSFQKIBKRO-CHWSQXEVSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419371431 245391443 /nfs/dbraw/zinc/39/14/43/245391443.db2.gz KSIGGOPLVCBTAI-YNEHKIRRSA-N 1 0 335.404 2.908 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419379039 245394954 /nfs/dbraw/zinc/39/49/54/245394954.db2.gz WCXDAJURLKVHDO-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078543519 217071532 /nfs/dbraw/zinc/07/15/32/217071532.db2.gz FPLBCEVZJHGPNG-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420292092 245592897 /nfs/dbraw/zinc/59/28/97/245592897.db2.gz WJKQSNJVPXWWMM-OCCSQVGLSA-N 1 0 334.420 2.662 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000420291670 245591908 /nfs/dbraw/zinc/59/19/08/245591908.db2.gz VYERIOLULICTCP-BDAKNGLRSA-N 1 0 329.198 2.682 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000111231943 220116772 /nfs/dbraw/zinc/11/67/72/220116772.db2.gz CALYOCMJOBBPPS-KBPBESRZSA-N 1 0 348.321 2.751 20 5 EFBDRO COc1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])ccc1O ZINC000080846630 217336291 /nfs/dbraw/zinc/33/62/91/217336291.db2.gz AARNVGNEFDCZQM-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000080940464 217343308 /nfs/dbraw/zinc/34/33/08/217343308.db2.gz PGMLAIXRPJVGRN-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000421678957 246059847 /nfs/dbraw/zinc/05/98/47/246059847.db2.gz FZGBEHCXAOXMDM-UHFFFAOYSA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421685021 246061895 /nfs/dbraw/zinc/06/18/95/246061895.db2.gz MXIIUWKLUKXVGM-UHFFFAOYSA-N 1 0 333.432 2.861 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000421684379 246062335 /nfs/dbraw/zinc/06/23/35/246062335.db2.gz JXGBFLZNWWLEFH-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000421683129 246062478 /nfs/dbraw/zinc/06/24/78/246062478.db2.gz CRMPPCTWMSLZMS-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000421701422 246068481 /nfs/dbraw/zinc/06/84/81/246068481.db2.gz HNKYYZNQJXKPEW-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000421748208 246095089 /nfs/dbraw/zinc/09/50/89/246095089.db2.gz FDCOXPFRGNSCAG-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000421770486 246107547 /nfs/dbraw/zinc/10/75/47/246107547.db2.gz BPXSLTMSHCRGBM-OAHLLOKOSA-N 1 0 331.416 2.770 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421887328 246151952 /nfs/dbraw/zinc/15/19/52/246151952.db2.gz SQLKZGLTLNUZAE-SUMWQHHRSA-N 1 0 331.416 2.820 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000422004138 246212419 /nfs/dbraw/zinc/21/24/19/246212419.db2.gz FTVLDUQFERFQSI-UHFFFAOYSA-N 1 0 347.415 2.547 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000422009894 246216130 /nfs/dbraw/zinc/21/61/30/246216130.db2.gz RVNGJWDQXBNKJC-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1nn(C)c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000264324531 246352744 /nfs/dbraw/zinc/35/27/44/246352744.db2.gz QZLMWBAJARIBCT-INIZCTEOSA-N 1 0 343.431 2.613 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000422578003 246391479 /nfs/dbraw/zinc/39/14/79/246391479.db2.gz VILWZDRKNLSKCB-UHFFFAOYSA-N 1 0 334.298 2.863 20 5 EFBDRO COc1ccnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000424314260 246725884 /nfs/dbraw/zinc/72/58/84/246725884.db2.gz ZUOAHWRXHPRAPP-DZGCQCFKSA-N 1 0 342.399 2.894 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000425281621 247029114 /nfs/dbraw/zinc/02/91/14/247029114.db2.gz PTTJLXFUNQTLHY-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1ccn2c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc2c1 ZINC000425987012 247222637 /nfs/dbraw/zinc/22/26/37/247222637.db2.gz XZGJDBRKDNDUBB-UHFFFAOYSA-N 1 0 340.387 2.585 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426475886 247285520 /nfs/dbraw/zinc/28/55/20/247285520.db2.gz ZWYGDGBMAOBGIP-JSGCOSHPSA-N 1 0 331.372 2.767 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426491638 247287032 /nfs/dbraw/zinc/28/70/32/247287032.db2.gz IOEHPNDRCFVBAZ-DOMZBBRYSA-N 1 0 333.388 2.806 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000426327627 247262990 /nfs/dbraw/zinc/26/29/90/247262990.db2.gz VDDQLFYZTDTBEP-NSHDSACASA-N 1 0 346.387 2.961 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000427064448 247313540 /nfs/dbraw/zinc/31/35/40/247313540.db2.gz LREXZIWEJQSDDJ-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000427179955 247325965 /nfs/dbraw/zinc/32/59/65/247325965.db2.gz WSRYNNQVBWYQGV-DOTOQJQBSA-N 1 0 334.416 2.845 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cn1 ZINC000427382117 247345093 /nfs/dbraw/zinc/34/50/93/247345093.db2.gz CBSPMFLXLNYVMU-UHFFFAOYSA-N 1 0 342.399 2.627 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427386602 247345292 /nfs/dbraw/zinc/34/52/92/247345292.db2.gz IVIIDMDCVKYENI-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089140384 217772751 /nfs/dbraw/zinc/77/27/51/217772751.db2.gz NFMAEXSCCABQKO-UHFFFAOYSA-N 1 0 335.404 2.941 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000427858045 247403440 /nfs/dbraw/zinc/40/34/40/247403440.db2.gz RYPWPFXFUUQQIF-HZPDHXFCSA-N 1 0 326.400 2.717 20 5 EFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000428989232 247559367 /nfs/dbraw/zinc/55/93/67/247559367.db2.gz BYNDGVLRJNQVMV-JKIFEVAISA-N 1 0 333.432 2.766 20 5 EFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430499780 247789647 /nfs/dbraw/zinc/78/96/47/247789647.db2.gz BOIGQRZZOSNOBJ-IRXDYDNUSA-N 1 0 331.416 2.777 20 5 EFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193204 248026626 /nfs/dbraw/zinc/02/66/26/248026626.db2.gz JAIQHDWBPCSCKG-HNNXBMFYSA-N 1 0 340.445 2.818 20 5 EFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433201527 248028264 /nfs/dbraw/zinc/02/82/64/248028264.db2.gz WVJRZXUUHBYNEA-CQSZACIVSA-N 1 0 340.445 2.818 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000433566143 248072085 /nfs/dbraw/zinc/07/20/85/248072085.db2.gz YJHNFAVZKYAXNH-DYVFJYSZSA-N 1 0 346.431 2.972 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266091807 248090294 /nfs/dbraw/zinc/09/02/94/248090294.db2.gz PQEHHBBJISJGRN-HNNXBMFYSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000266098126 248095089 /nfs/dbraw/zinc/09/50/89/248095089.db2.gz RAEXTHWQRRYQKW-AAEUAGOBSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000266101775 248098307 /nfs/dbraw/zinc/09/83/07/248098307.db2.gz RTHJNCJKVLUYOX-OAHLLOKOSA-N 1 0 333.413 2.997 20 5 EFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000433944608 248105135 /nfs/dbraw/zinc/10/51/35/248105135.db2.gz WZKWJQOZAFPWSY-DZGCQCFKSA-N 1 0 336.417 2.883 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433953726 248106739 /nfs/dbraw/zinc/10/67/39/248106739.db2.gz LWBHPKAPEDOUSC-MRXNPFEDSA-N 1 0 346.431 2.753 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435036143 248205392 /nfs/dbraw/zinc/20/53/92/248205392.db2.gz SPNOOCKFLAZKQC-CQSZACIVSA-N 1 0 344.415 2.900 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266282118 248221592 /nfs/dbraw/zinc/22/15/92/248221592.db2.gz AJMIPRINCHQXTD-CQSZACIVSA-N 1 0 339.823 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc1 ZINC000266283494 248223193 /nfs/dbraw/zinc/22/31/93/248223193.db2.gz UWSFRNCPDGBZDW-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372768 248232608 /nfs/dbraw/zinc/23/26/08/248232608.db2.gz SKKOVKIOBRSZRQ-VXGBXAGGSA-N 1 0 332.429 2.887 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000435384998 248234236 /nfs/dbraw/zinc/23/42/36/248234236.db2.gz PEKMCCDWSMMBIO-APHBMKBZSA-N 1 0 344.440 2.887 20 5 EFBDRO [NH3+]C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388466 248235944 /nfs/dbraw/zinc/23/59/44/248235944.db2.gz HBBKFPVWVBSPPS-LBPRGKRZSA-N 1 0 332.429 2.889 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266309967 248240007 /nfs/dbraw/zinc/24/00/07/248240007.db2.gz MQZHYYCQQAUAHI-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266310779 248240407 /nfs/dbraw/zinc/24/04/07/248240407.db2.gz NCCNOPRILGCHRJ-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000266680518 248407664 /nfs/dbraw/zinc/40/76/64/248407664.db2.gz CLSAPZROKPVFPP-OAHLLOKOSA-N 1 0 348.447 2.559 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000267361269 296250457 /nfs/dbraw/zinc/25/04/57/296250457.db2.gz HBBWDGRBCJTATF-LBPRGKRZSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000266539765 248351210 /nfs/dbraw/zinc/35/12/10/248351210.db2.gz PKMSUXWLVFEMJM-CQSZACIVSA-N 1 0 327.388 2.658 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000266553970 248358431 /nfs/dbraw/zinc/35/84/31/248358431.db2.gz VIMBEPJXHXIJSP-UKRRQHHQSA-N 1 0 331.416 2.894 20 5 EFBDRO Cc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000012348520 211354512 /nfs/dbraw/zinc/35/45/12/211354512.db2.gz SNIXCRPQMBSGKG-OAHLLOKOSA-N 1 0 333.413 2.997 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092069820 218114597 /nfs/dbraw/zinc/11/45/97/218114597.db2.gz KYYHAVVYMPWDRU-NFBGWVBBSA-N 1 0 327.388 2.612 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000092429308 218141609 /nfs/dbraw/zinc/14/16/09/218141609.db2.gz MHQGYWPXCLXAHE-TZMCWYRMSA-N 1 0 331.416 2.875 20 5 EFBDRO CSc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010299695 211161119 /nfs/dbraw/zinc/16/11/19/211161119.db2.gz NJGWNFAHJHEZJM-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093360818 218218194 /nfs/dbraw/zinc/21/81/94/218218194.db2.gz PQOWVCCCIQPCRH-CYBMUJFWSA-N 1 0 343.383 2.813 20 5 EFBDRO CCC1(CO)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000093591950 218234528 /nfs/dbraw/zinc/23/45/28/218234528.db2.gz DZSUTCPXXTZQBA-UHFFFAOYSA-N 1 0 338.404 2.597 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093717722 218243960 /nfs/dbraw/zinc/24/39/60/218243960.db2.gz UQFJWGGXHHYZHE-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444677383 250328951 /nfs/dbraw/zinc/32/89/51/250328951.db2.gz UEAYIMDFCDHRHL-QGZVFWFLSA-N 1 0 348.403 2.929 20 5 EFBDRO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444742143 250339561 /nfs/dbraw/zinc/33/95/61/250339561.db2.gz WEAXSYFXZNNCPT-MRXNPFEDSA-N 1 0 348.374 2.914 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000094119683 218265735 /nfs/dbraw/zinc/26/57/35/218265735.db2.gz VVBQIZLQFQTQNA-UHFFFAOYSA-N 1 0 333.432 2.934 20 5 EFBDRO CCc1nn(C)c(NC[C@H](c2ccco2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000094151003 218266355 /nfs/dbraw/zinc/26/63/55/218266355.db2.gz CHLZACACDQXXHU-CYBMUJFWSA-N 1 0 335.408 2.979 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]2(CCO)CCOC2)s1 ZINC000447065343 250538058 /nfs/dbraw/zinc/53/80/58/250538058.db2.gz HEGDDXSCFSPFGA-QGZVFWFLSA-N 1 0 348.424 2.954 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000447089535 250542665 /nfs/dbraw/zinc/54/26/65/250542665.db2.gz WXCLCQRBSNAEOQ-QINSGFPZSA-N 1 0 343.427 2.942 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CCO)CCCC2)n1 ZINC000447561285 250576718 /nfs/dbraw/zinc/57/67/18/250576718.db2.gz HIJYFIVTJCMXNI-GJZGRUSLSA-N 1 0 336.436 2.807 20 5 EFBDRO CC1(C)CCC(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000095428451 218371087 /nfs/dbraw/zinc/37/10/87/218371087.db2.gz TUVREBLQPUIFKD-IAGOWNOFSA-N 1 0 336.432 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000095452170 218396444 /nfs/dbraw/zinc/39/64/44/218396444.db2.gz GOEJMTXYQSEPQL-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000267202933 250829165 /nfs/dbraw/zinc/82/91/65/250829165.db2.gz JSENYUZNWDGNLR-ZDUSSCGKSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449182593 250943293 /nfs/dbraw/zinc/94/32/93/250943293.db2.gz BPMYVCYLNXEYJN-NWDGAFQWSA-N 1 0 337.807 2.710 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCC1CCOCC1 ZINC000449165527 250938117 /nfs/dbraw/zinc/93/81/17/250938117.db2.gz WSALCSATXPCRQJ-HNNXBMFYSA-N 1 0 336.432 2.949 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449182595 250943009 /nfs/dbraw/zinc/94/30/09/250943009.db2.gz BPMYVCYLNXEYJN-VXGBXAGGSA-N 1 0 337.807 2.710 20 5 EFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449461901 251034473 /nfs/dbraw/zinc/03/44/73/251034473.db2.gz UHHYJOCNWNECIS-KDOFPFPSSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000267413254 251036588 /nfs/dbraw/zinc/03/65/88/251036588.db2.gz KTATXFZBCUAJKS-UKRRQHHQSA-N 1 0 343.383 2.828 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449510830 251047497 /nfs/dbraw/zinc/04/74/97/251047497.db2.gz QQEDSODEQUUZOF-FUHWJXTLSA-N 1 0 334.416 2.880 20 5 EFBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000449520740 251050969 /nfs/dbraw/zinc/05/09/69/251050969.db2.gz STYMEGIKNVPSRV-ZDUSSCGKSA-N 1 0 329.356 2.565 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000449517964 251051171 /nfs/dbraw/zinc/05/11/71/251051171.db2.gz LTTJMGCMOPTLQS-PBHICJAKSA-N 1 0 327.384 2.991 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449559452 251065609 /nfs/dbraw/zinc/06/56/09/251065609.db2.gz YIPVKBDJKVXZGZ-CKEIUWERSA-N 1 0 334.416 2.976 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449586504 251075276 /nfs/dbraw/zinc/07/52/76/251075276.db2.gz NCEYIUZKFZWRSU-MTWCHYJXSA-N 1 0 342.399 2.851 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000449591609 251076844 /nfs/dbraw/zinc/07/68/44/251076844.db2.gz WVPYORNSNDUPTO-RHSMWYFYSA-N 1 0 330.388 2.647 20 5 EFBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449599033 251078644 /nfs/dbraw/zinc/07/86/44/251078644.db2.gz FBMGHABELJEFOW-NSHDSACASA-N 1 0 333.413 2.938 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449624990 251084505 /nfs/dbraw/zinc/08/45/05/251084505.db2.gz AMCQOUITAXSVLZ-PEBVRCNWSA-N 1 0 335.404 2.715 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449637959 251088835 /nfs/dbraw/zinc/08/88/35/251088835.db2.gz IRQOEPGDKJJEOK-GXSJLCMTSA-N 1 0 345.321 2.861 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449636947 251088960 /nfs/dbraw/zinc/08/89/60/251088960.db2.gz FOJYBJDGYOFYBL-AVGNSLFASA-N 1 0 337.445 2.709 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000449639156 251090631 /nfs/dbraw/zinc/09/06/31/251090631.db2.gz OBIZKXWVFNQVKV-CVEARBPZSA-N 1 0 332.404 2.634 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@H]1CCOC1 ZINC000449680174 251112821 /nfs/dbraw/zinc/11/28/21/251112821.db2.gz GICUBYQCAKCUJV-KBPBESRZSA-N 1 0 335.404 2.718 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@@H]1CCOC1 ZINC000449680177 251113076 /nfs/dbraw/zinc/11/30/76/251113076.db2.gz GICUBYQCAKCUJV-ZIAGYGMSSA-N 1 0 335.404 2.718 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCSCC2)c(Cl)c1 ZINC000449682984 251115286 /nfs/dbraw/zinc/11/52/86/251115286.db2.gz IOMCUULCVZQQLY-UHFFFAOYSA-N 1 0 330.837 2.938 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449690676 251118903 /nfs/dbraw/zinc/11/89/03/251118903.db2.gz QVIYNJUVFQCYMJ-ZIAGYGMSSA-N 1 0 349.456 2.535 20 5 EFBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449693672 251120619 /nfs/dbraw/zinc/12/06/19/251120619.db2.gz FBUUFXXISLSQEH-GOSISDBHSA-N 1 0 346.383 2.686 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000449757316 251143175 /nfs/dbraw/zinc/14/31/75/251143175.db2.gz SDNSXOFQOUDOPV-ROUUACIJSA-N 1 0 340.379 2.983 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449760159 251144826 /nfs/dbraw/zinc/14/48/26/251144826.db2.gz MGMSONZVXTXCBU-HZPDHXFCSA-N 1 0 336.388 2.899 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCC1(C)C ZINC000449784216 251153941 /nfs/dbraw/zinc/15/39/41/251153941.db2.gz VZYHGTVOQOZMTQ-CQSZACIVSA-N 1 0 348.447 2.776 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449758744 251145556 /nfs/dbraw/zinc/14/55/56/251145556.db2.gz WRSRCTGJIXCELG-OJLVUWQFSA-N 1 0 331.416 2.550 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449768975 251148839 /nfs/dbraw/zinc/14/88/39/251148839.db2.gz GJWVFJANOCVJDS-UXILZDJPSA-N 1 0 342.399 2.851 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449768972 251149034 /nfs/dbraw/zinc/14/90/34/251149034.db2.gz GJWVFJANOCVJDS-AAQZWPSQSA-N 1 0 342.399 2.851 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449768973 251149182 /nfs/dbraw/zinc/14/91/82/251149182.db2.gz GJWVFJANOCVJDS-DVJJNNKXSA-N 1 0 342.399 2.851 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449911003 251196499 /nfs/dbraw/zinc/19/64/99/251196499.db2.gz JBRBUORQDXIBJR-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO Cc1nc(NCC2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000450284960 251329314 /nfs/dbraw/zinc/32/93/14/251329314.db2.gz DGSRIGKRYNPBLM-UHFFFAOYSA-N 1 0 347.444 2.501 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268030152 251552482 /nfs/dbraw/zinc/55/24/82/251552482.db2.gz MGGXDIBMRSQSMO-AWEZNQCLSA-N 1 0 334.420 2.700 20 5 EFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000152925869 224033220 /nfs/dbraw/zinc/03/32/20/224033220.db2.gz PCOSQFACMHWONQ-HUBLWGQQSA-N 1 0 346.387 2.941 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000453035445 252022253 /nfs/dbraw/zinc/02/22/53/252022253.db2.gz KFMPRWHPNVXDPS-VKJFTORMSA-N 1 0 336.432 2.947 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454318133 252212996 /nfs/dbraw/zinc/21/29/96/252212996.db2.gz LHCNOORMJYLLIE-UHFFFAOYSA-N 1 0 326.372 2.976 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCCCC1 ZINC000268808694 252261644 /nfs/dbraw/zinc/26/16/44/252261644.db2.gz GOJWAUHYRIXCQE-ZDUSSCGKSA-N 1 0 335.404 2.597 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268853580 252301551 /nfs/dbraw/zinc/30/15/51/252301551.db2.gz QIBKITBDHMNJSG-PBHICJAKSA-N 1 0 330.384 2.994 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000188070062 533009352 /nfs/dbraw/zinc/00/93/52/533009352.db2.gz YFTZUVLZVHSWJG-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458882410 255789177 /nfs/dbraw/zinc/78/91/77/255789177.db2.gz AGDTYRGBTMDLHH-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000153693709 224142257 /nfs/dbraw/zinc/14/22/57/224142257.db2.gz YOXPPMKWZMMNPC-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO CC[N@H+](C)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000097347875 219013354 /nfs/dbraw/zinc/01/33/54/219013354.db2.gz NMVHXLTZCKNCIH-UHFFFAOYSA-N 1 0 349.172 2.563 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153699606 224143595 /nfs/dbraw/zinc/14/35/95/224143595.db2.gz JFSCYVFTFOYDNU-RDJZCZTQSA-N 1 0 343.427 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)C1CCOCC1)CCC2 ZINC000447592344 285145276 /nfs/dbraw/zinc/14/52/76/285145276.db2.gz KXGKGKDSXDOABT-ZWKOTPCHSA-N 1 0 334.416 2.739 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000183473796 533098683 /nfs/dbraw/zinc/09/86/83/533098683.db2.gz WRYBFYPZYLCKIQ-OTYXRUKQSA-N 1 0 341.795 2.590 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000178396474 285167818 /nfs/dbraw/zinc/16/78/18/285167818.db2.gz BSWSPHIDDYRHSJ-QGZVFWFLSA-N 1 0 344.415 2.553 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261602659 285170858 /nfs/dbraw/zinc/17/08/58/285170858.db2.gz BVBBWZOYJHJWFD-LLVKDONJSA-N 1 0 344.337 2.977 20 5 EFBDRO COCCOC[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000181513640 533136303 /nfs/dbraw/zinc/13/63/03/533136303.db2.gz HLSFOYLAIXUXPK-AWEZNQCLSA-N 1 0 345.399 2.941 20 5 EFBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000153736338 224149323 /nfs/dbraw/zinc/14/93/23/224149323.db2.gz OAXRQSSGPYOQAQ-AWEZNQCLSA-N 1 0 336.413 2.810 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000153943820 224179226 /nfs/dbraw/zinc/17/92/26/224179226.db2.gz DTLOCHOUSZXWBJ-QZTJIDSGSA-N 1 0 333.432 2.579 20 5 EFBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000188673589 533214766 /nfs/dbraw/zinc/21/47/66/533214766.db2.gz GGNUJZZBVWEMHG-UHFFFAOYSA-N 1 0 330.340 2.898 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000459326926 255859351 /nfs/dbraw/zinc/85/93/51/255859351.db2.gz XEHDBYGNLRNKBJ-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO Cc1ccc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000459512309 255889366 /nfs/dbraw/zinc/88/93/66/255889366.db2.gz QOBURAAYVNWIBM-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459763429 255929802 /nfs/dbraw/zinc/92/98/02/255929802.db2.gz OBZDYZRFWOHNLM-CVEARBPZSA-N 1 0 336.388 2.529 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459777443 255932356 /nfs/dbraw/zinc/93/23/56/255932356.db2.gz VWTQVCNEXVPCTO-VBNZEHGJSA-N 1 0 347.415 2.777 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000117759825 221087323 /nfs/dbraw/zinc/08/73/23/221087323.db2.gz OTOGBIVHGZOQJW-LBPRGKRZSA-N 1 0 339.823 2.639 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000117759827 221087745 /nfs/dbraw/zinc/08/77/45/221087745.db2.gz OTOGBIVHGZOQJW-GFCCVEGCSA-N 1 0 339.823 2.639 20 5 EFBDRO Cc1c(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000118640206 221163345 /nfs/dbraw/zinc/16/33/45/221163345.db2.gz UWNIPNWMPVGSBP-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868693 221199548 /nfs/dbraw/zinc/19/95/48/221199548.db2.gz IYONZZURBISRDC-CQSZACIVSA-N 1 0 348.447 2.586 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000119075099 221237920 /nfs/dbraw/zinc/23/79/20/221237920.db2.gz CYVXIBKDERGJBC-HNNXBMFYSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000119281203 221284284 /nfs/dbraw/zinc/28/42/84/221284284.db2.gz SIDDFCREZAEGKD-IOASZLSFSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000119281417 221284359 /nfs/dbraw/zinc/28/43/59/221284359.db2.gz SIDDFCREZAEGKD-XJKCOSOUSA-N 1 0 331.416 2.898 20 5 EFBDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119541959 221343951 /nfs/dbraw/zinc/34/39/51/221343951.db2.gz DJZOTRODKGQNHD-AWEZNQCLSA-N 1 0 335.404 2.670 20 5 EFBDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000119541794 221344425 /nfs/dbraw/zinc/34/44/25/221344425.db2.gz DJZOTRODKGQNHD-CQSZACIVSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000177867371 533226050 /nfs/dbraw/zinc/22/60/50/533226050.db2.gz FNWNAYQQQKVBGN-WFASDCNBSA-N 1 0 348.403 2.551 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000119790248 221401399 /nfs/dbraw/zinc/40/13/99/221401399.db2.gz FAIJNKIWUQJDEP-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO [NH3+]C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000155716216 224459482 /nfs/dbraw/zinc/45/94/82/224459482.db2.gz CYULOKPDFYQVIU-HNNXBMFYSA-N 1 0 337.445 2.711 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181675141 533293360 /nfs/dbraw/zinc/29/33/60/533293360.db2.gz KCBQLKQTMIDOJK-UKRRQHHQSA-N 1 0 331.416 2.978 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000435056645 533383248 /nfs/dbraw/zinc/38/32/48/533383248.db2.gz NAUGUSUIENBJQG-QZFKAFNDSA-N 1 0 333.432 2.651 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000344841158 533384328 /nfs/dbraw/zinc/38/43/28/533384328.db2.gz GIUTVCCGLHPOLI-LCYFTJDESA-N 1 0 325.368 2.887 20 5 EFBDRO COc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182251344 533324816 /nfs/dbraw/zinc/32/48/16/533324816.db2.gz QCXOLCNRJGAEOQ-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000181107454 533407573 /nfs/dbraw/zinc/40/75/73/533407573.db2.gz ORMIZAVCYFBULX-SNVBAGLBSA-N 1 0 339.193 2.905 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000344816154 533409022 /nfs/dbraw/zinc/40/90/22/533409022.db2.gz CAWJTESYNUCLDX-RVDMUPIBSA-N 1 0 333.432 2.699 20 5 EFBDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178656705 533567896 /nfs/dbraw/zinc/56/78/96/533567896.db2.gz BQJORKDMOOIDSN-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129244795 533616589 /nfs/dbraw/zinc/61/65/89/533616589.db2.gz MWYKRKLPWCODJW-IUODEOHRSA-N 1 0 326.418 2.537 20 5 EFBDRO CCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000016035764 285581594 /nfs/dbraw/zinc/58/15/94/285581594.db2.gz KMRKSYXGMNOOFC-UHFFFAOYSA-O 1 0 330.389 2.703 20 5 EFBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000355958014 147108679 /nfs/dbraw/zinc/10/86/79/147108679.db2.gz OVWNGRVZPOJWAC-UHFFFAOYSA-N 1 0 346.225 2.559 20 5 EFBDRO CC1CC[NH+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054779831 141354114 /nfs/dbraw/zinc/35/41/14/141354114.db2.gz VGBADDIRJCYBAL-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO Cc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152696 141460631 /nfs/dbraw/zinc/46/06/31/141460631.db2.gz UQKBHRYPVNTXMA-DOTOQJQBSA-N 1 0 335.448 2.647 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000338673157 141659954 /nfs/dbraw/zinc/65/99/54/141659954.db2.gz KZVYWUMWBGMLFZ-CYBMUJFWSA-N 1 0 343.387 2.567 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000338673158 141660053 /nfs/dbraw/zinc/66/00/53/141660053.db2.gz KZVYWUMWBGMLFZ-ZDUSSCGKSA-N 1 0 343.387 2.567 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)CNc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000340549679 141812820 /nfs/dbraw/zinc/81/28/20/141812820.db2.gz BFDBSHHPMGFRQQ-KBXCAEBGSA-N 1 0 348.447 2.633 20 5 EFBDRO O=C(C1CCC1)N(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000343498919 142008183 /nfs/dbraw/zinc/00/81/83/142008183.db2.gz CCTZNWAGCOXLJS-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000344429991 142015135 /nfs/dbraw/zinc/01/51/35/142015135.db2.gz CGLUKZFOMMQARW-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344429226 142015430 /nfs/dbraw/zinc/01/54/30/142015430.db2.gz REUREEBKWHVYAZ-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344471017 142022668 /nfs/dbraw/zinc/02/26/68/142022668.db2.gz ASXCZKLERDGZPW-ZDUSSCGKSA-N 1 0 325.434 2.897 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@H]2CCOC2)s1 ZINC000344489077 142026781 /nfs/dbraw/zinc/02/67/81/142026781.db2.gz ZCLHGRPCHRDNBS-LRDDRELGSA-N 1 0 348.424 2.810 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000344570008 142042172 /nfs/dbraw/zinc/04/21/72/142042172.db2.gz GTSUXSGTAHQYGJ-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344702139 142063359 /nfs/dbraw/zinc/06/33/59/142063359.db2.gz RXVIQPVSJPZVES-JKSUJKDBSA-N 1 0 344.415 2.898 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000344961816 142103662 /nfs/dbraw/zinc/10/36/62/142103662.db2.gz HKGHNYMJMOMWJP-HUUCEWRRSA-N 1 0 349.431 2.613 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000345974128 142126294 /nfs/dbraw/zinc/12/62/94/142126294.db2.gz XPXQNQLNHSOQTB-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346151576 142155655 /nfs/dbraw/zinc/15/56/55/142155655.db2.gz ZEVFWSMVBNRACT-SLEUVZQESA-N 1 0 335.379 2.536 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346187834 142163977 /nfs/dbraw/zinc/16/39/77/142163977.db2.gz OISSCBWYDDTKEQ-MQIPJXDCSA-N 1 0 335.379 2.536 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346213703 142168698 /nfs/dbraw/zinc/16/86/98/142168698.db2.gz YTDSAPGQCVQXDS-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000346304427 142186479 /nfs/dbraw/zinc/18/64/79/142186479.db2.gz WHEXBHKRDGXHNY-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cs2)c1 ZINC000346323125 142189367 /nfs/dbraw/zinc/18/93/67/142189367.db2.gz FNRCNUYNKCUFBI-APHBMKBZSA-N 1 0 345.424 2.921 20 5 EFBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568370 142237623 /nfs/dbraw/zinc/23/76/23/142237623.db2.gz VDWROYFCXNXDEE-NWDGAFQWSA-N 1 0 344.371 2.676 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1ncc[nH]1 ZINC000347937319 142296002 /nfs/dbraw/zinc/29/60/02/142296002.db2.gz OLCJCTHZSNABMB-HNNXBMFYSA-N 1 0 339.355 2.636 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943152 142297275 /nfs/dbraw/zinc/29/72/75/142297275.db2.gz OBLKOQJLBCMAKH-OLZOCXBDSA-N 1 0 337.395 2.686 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943155 142297508 /nfs/dbraw/zinc/29/75/08/142297508.db2.gz OBLKOQJLBCMAKH-QWHCGFSZSA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000347945975 142297894 /nfs/dbraw/zinc/29/78/94/142297894.db2.gz FFGBJDBOJQMJKK-HNNXBMFYSA-N 1 0 346.431 2.772 20 5 EFBDRO C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000347987138 142304674 /nfs/dbraw/zinc/30/46/74/142304674.db2.gz BAHUSWIZYDIZKE-VXGBXAGGSA-N 1 0 335.379 2.604 20 5 EFBDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000348016403 142309078 /nfs/dbraw/zinc/30/90/78/142309078.db2.gz QSXLMGNYSCWRJF-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000349414565 142328337 /nfs/dbraw/zinc/32/83/37/142328337.db2.gz HHEQLYXJRWSSGH-NHYWBVRUSA-N 1 0 333.413 2.921 20 5 EFBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000349414566 142328555 /nfs/dbraw/zinc/32/85/55/142328555.db2.gz HHEQLYXJRWSSGH-XHDPSFHLSA-N 1 0 333.413 2.921 20 5 EFBDRO NC(=O)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000349952593 142382136 /nfs/dbraw/zinc/38/21/36/142382136.db2.gz QFJFLZXPQOGUKI-OAHLLOKOSA-N 1 0 333.775 2.607 20 5 EFBDRO C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349979951 142386191 /nfs/dbraw/zinc/38/61/91/142386191.db2.gz XYPYKILRRIZQLW-GDBMZVCRSA-N 1 0 348.447 2.929 20 5 EFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000350039515 142393777 /nfs/dbraw/zinc/39/37/77/142393777.db2.gz IDMSNYCSDGSMHP-HOTGVXAUSA-N 1 0 336.436 2.851 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000340914614 144952862 /nfs/dbraw/zinc/95/28/62/144952862.db2.gz PZUXOMUBQFZZSI-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000341313714 145031311 /nfs/dbraw/zinc/03/13/11/145031311.db2.gz ZZZNQBUXLAWUTC-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000355113012 146866842 /nfs/dbraw/zinc/86/68/42/146866842.db2.gz IYYOZHDHRNRDHA-MRVPVSSYSA-N 1 0 334.298 2.685 20 5 EFBDRO Cc1ccccc1-n1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000342177993 145075456 /nfs/dbraw/zinc/07/54/56/145075456.db2.gz RVJKXWXPNOAYTA-UHFFFAOYSA-N 1 0 337.383 2.816 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000342228137 145084058 /nfs/dbraw/zinc/08/40/58/145084058.db2.gz PXBIYUWFEGQMOC-SFHVURJKSA-N 1 0 330.384 2.643 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342323999 145100895 /nfs/dbraw/zinc/10/08/95/145100895.db2.gz QTIVGFVBKVTZLG-LLVKDONJSA-N 1 0 345.403 2.543 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342369546 145110092 /nfs/dbraw/zinc/11/00/92/145110092.db2.gz GUYHWVSDTIJNJQ-GOSISDBHSA-N 1 0 345.374 2.783 20 5 EFBDRO CC1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000342367086 145110207 /nfs/dbraw/zinc/11/02/07/145110207.db2.gz XOGADKGKNVZFJG-UHFFFAOYSA-N 1 0 340.445 2.784 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000342440953 145126891 /nfs/dbraw/zinc/12/68/91/145126891.db2.gz LIVZRJNJOUMIQV-ULQDDVLXSA-N 1 0 331.416 2.640 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342584793 145153110 /nfs/dbraw/zinc/15/31/10/145153110.db2.gz IDWHZQPZYOJBAB-KBPBESRZSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCO1 ZINC000342606868 145158634 /nfs/dbraw/zinc/15/86/34/145158634.db2.gz QJWKEGUISJXVNY-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342650347 145165979 /nfs/dbraw/zinc/16/59/79/145165979.db2.gz HQUFVXWWYJVUGJ-QMTHXVAHSA-N 1 0 340.811 2.530 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342747931 145184211 /nfs/dbraw/zinc/18/42/11/145184211.db2.gz MKDNQUFVMHPKFQ-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000342790643 145193519 /nfs/dbraw/zinc/19/35/19/145193519.db2.gz DHMDEEJKZADYLE-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000343563511 145239621 /nfs/dbraw/zinc/23/96/21/145239621.db2.gz ZMSCVGHZUXCLPN-IRXDYDNUSA-N 1 0 342.395 2.652 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343588249 145246258 /nfs/dbraw/zinc/24/62/58/145246258.db2.gz FOSYGWSHBJKNPC-OCCSQVGLSA-N 1 0 334.420 2.628 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343588246 145246425 /nfs/dbraw/zinc/24/64/25/145246425.db2.gz FOSYGWSHBJKNPC-GXTWGEPZSA-N 1 0 334.420 2.628 20 5 EFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC[N@@H+]1C ZINC000343610184 145251900 /nfs/dbraw/zinc/25/19/00/145251900.db2.gz STSKYMHKJUPXOF-CZUORRHYSA-N 1 0 346.431 2.725 20 5 EFBDRO C[C@@H]1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343614390 145252704 /nfs/dbraw/zinc/25/27/04/145252704.db2.gz YFEDLUSPTMIOFQ-SCZZXKLOSA-N 1 0 329.198 2.647 20 5 EFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000343621323 145254200 /nfs/dbraw/zinc/25/42/00/145254200.db2.gz HOWSQIJMLZKHRB-LJQANCHMSA-N 1 0 341.411 2.962 20 5 EFBDRO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629813 145256763 /nfs/dbraw/zinc/25/67/63/145256763.db2.gz YPODFPCHJGSZNV-GOEBONIOSA-N 1 0 341.367 2.565 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000343639467 145258877 /nfs/dbraw/zinc/25/88/77/145258877.db2.gz LCSGEFNACYUERF-UHFFFAOYSA-N 1 0 325.796 2.743 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000343886640 145316867 /nfs/dbraw/zinc/31/68/67/145316867.db2.gz KFLJBRGEEZRQIN-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344004046 145343098 /nfs/dbraw/zinc/34/30/98/145343098.db2.gz KGMUHKCFTJURSM-DGCLKSJQSA-N 1 0 333.388 2.662 20 5 EFBDRO C[C@H](NCc1ccncc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000344010039 145344260 /nfs/dbraw/zinc/34/42/60/145344260.db2.gz ZYLQNUWWSVIQCT-AWEZNQCLSA-N 1 0 344.415 2.781 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)COc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000344143527 145378108 /nfs/dbraw/zinc/37/81/08/145378108.db2.gz QYMNHJBQGWCWHC-RDTXWAMCSA-N 1 0 349.431 2.600 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000344188235 145387803 /nfs/dbraw/zinc/38/78/03/145387803.db2.gz XSEGOPOHQRANKV-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203121 145391481 /nfs/dbraw/zinc/39/14/81/145391481.db2.gz BOZHRGWTWWAKJL-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203123 145391492 /nfs/dbraw/zinc/39/14/92/145391492.db2.gz BOZHRGWTWWAKJL-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344325492 145421632 /nfs/dbraw/zinc/42/16/32/145421632.db2.gz MNBRSAOVEMRGIK-CQSZACIVSA-N 1 0 340.445 2.775 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000348522149 145963765 /nfs/dbraw/zinc/96/37/65/145963765.db2.gz VSQOJXWRRJQKEN-WCQYABFASA-N 1 0 343.330 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348535225 145966678 /nfs/dbraw/zinc/96/66/78/145966678.db2.gz QMBIAGUGJAMPAR-YPMHNXCESA-N 1 0 343.330 2.592 20 5 EFBDRO [NH3+]CCN(CC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000348934870 146026391 /nfs/dbraw/zinc/02/63/91/146026391.db2.gz OFFHUERWVVLCSY-UHFFFAOYSA-N 1 0 325.368 2.836 20 5 EFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2C1 ZINC000349054662 146043838 /nfs/dbraw/zinc/04/38/38/146043838.db2.gz GIAOISTZYAETCO-LBPRGKRZSA-N 1 0 346.774 2.712 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)Cc1ccccc1 ZINC000349055456 146044228 /nfs/dbraw/zinc/04/42/28/146044228.db2.gz SONLDKIHYKVZEI-AWEZNQCLSA-N 1 0 344.415 2.574 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000349077649 146048098 /nfs/dbraw/zinc/04/80/98/146048098.db2.gz NEAIZCMOYAQBNQ-UHFFFAOYSA-N 1 0 333.432 2.815 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000349201480 146065585 /nfs/dbraw/zinc/06/55/85/146065585.db2.gz LANLXKBYJZENNW-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1nccn1CCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351498502 146131758 /nfs/dbraw/zinc/13/17/58/146131758.db2.gz BBPFGEQRUGLROT-JKSUJKDBSA-N 1 0 346.435 2.850 20 5 EFBDRO CCOc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351505113 146133288 /nfs/dbraw/zinc/13/32/88/146133288.db2.gz ZPPSOLISPKKWTF-GJZGRUSLSA-N 1 0 345.403 2.859 20 5 EFBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351605037 146157077 /nfs/dbraw/zinc/15/70/77/146157077.db2.gz XOJZNMNBMONMCD-UHFFFAOYSA-N 1 0 343.387 2.946 20 5 EFBDRO CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000351614493 146158919 /nfs/dbraw/zinc/15/89/19/146158919.db2.gz GXKIOKHNTQGHCU-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000351654048 146169347 /nfs/dbraw/zinc/16/93/47/146169347.db2.gz ZEIYQDVCQVBNBL-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351831069 146213605 /nfs/dbraw/zinc/21/36/05/146213605.db2.gz VFYQVXBIQAAFKV-PWSUYJOCSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@H](F)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000351998035 146260102 /nfs/dbraw/zinc/26/01/02/146260102.db2.gz ZRIRWCMNDCZDCY-LBPRGKRZSA-N 1 0 335.383 2.731 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844042 146331491 /nfs/dbraw/zinc/33/14/91/146331491.db2.gz ABEQLEMRWKRNDV-MJGOQNOKSA-N 1 0 339.395 2.895 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000352876465 146338606 /nfs/dbraw/zinc/33/86/06/146338606.db2.gz MZTHAAWQANKIQS-LSDHHAIUSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352879261 146338978 /nfs/dbraw/zinc/33/89/78/146338978.db2.gz VMXYCXVNMPTBSR-QWHCGFSZSA-N 1 0 332.404 2.987 20 5 EFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924282 146350047 /nfs/dbraw/zinc/35/00/47/146350047.db2.gz YYPPMVZKMHWXKF-ONXXMXGDSA-N 1 0 329.404 2.528 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCn1cc(Br)cn1 ZINC000353064782 146389306 /nfs/dbraw/zinc/38/93/06/146389306.db2.gz RJBGVHDAJCYYTB-UHFFFAOYSA-N 1 0 339.193 2.652 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355584865 147004327 /nfs/dbraw/zinc/00/43/27/147004327.db2.gz PUENTVFHZORQPA-AWEZNQCLSA-N 1 0 336.388 2.911 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355711968 147041616 /nfs/dbraw/zinc/04/16/16/147041616.db2.gz AGKYDTSFVIBCLI-GOSISDBHSA-N 1 0 327.384 2.644 20 5 EFBDRO COc1c(C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000356257365 147191148 /nfs/dbraw/zinc/19/11/48/147191148.db2.gz CQUNJDBJKKKQFS-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000356387007 147231221 /nfs/dbraw/zinc/23/12/21/147231221.db2.gz GQOAEQBGHGFKMC-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000356760324 147328835 /nfs/dbraw/zinc/32/88/35/147328835.db2.gz HGMHFDCBVXLVMC-LBPRGKRZSA-N 1 0 334.420 2.628 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000357629066 147577246 /nfs/dbraw/zinc/57/72/46/147577246.db2.gz RIPIBLXJSKFODE-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358304297 147765018 /nfs/dbraw/zinc/76/50/18/147765018.db2.gz SPFTWXQADKCIMS-MORSLUCNSA-N 1 0 333.432 2.623 20 5 EFBDRO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000359128277 148003271 /nfs/dbraw/zinc/00/32/71/148003271.db2.gz HIXCDBDUUTXIMA-RBSFLKMASA-N 1 0 333.432 2.857 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359144905 148007690 /nfs/dbraw/zinc/00/76/90/148007690.db2.gz SVERJEBCNRGIMS-HNNXBMFYSA-N 1 0 333.432 2.860 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000359539235 148114554 /nfs/dbraw/zinc/11/45/54/148114554.db2.gz DYLAHEIHQROPHT-OAHLLOKOSA-N 1 0 334.420 2.529 20 5 EFBDRO Cc1c(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000359537932 148114755 /nfs/dbraw/zinc/11/47/55/148114755.db2.gz AOYXIQHJKAMCGM-UHFFFAOYSA-N 1 0 346.431 2.673 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359633031 148146050 /nfs/dbraw/zinc/14/60/50/148146050.db2.gz JOCPHMHSRBFDGI-QGZVFWFLSA-N 1 0 336.432 2.985 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000359645324 148149840 /nfs/dbraw/zinc/14/98/40/148149840.db2.gz LMUALIALUVHCTE-KRWDZBQOSA-N 1 0 332.356 2.750 20 5 EFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC000359681720 148161467 /nfs/dbraw/zinc/16/14/67/148161467.db2.gz USPMSEPQVREFSW-MRXNPFEDSA-N 1 0 349.412 2.508 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000359794906 148191136 /nfs/dbraw/zinc/19/11/36/148191136.db2.gz OZPHWNHQPPDLTI-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360052849 148261254 /nfs/dbraw/zinc/26/12/54/148261254.db2.gz QHZYCOFFYHOCRJ-ZDUSSCGKSA-N 1 0 335.326 2.647 20 5 EFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070647 148264719 /nfs/dbraw/zinc/26/47/19/148264719.db2.gz IJWDYTTWLQSDHV-CYBMUJFWSA-N 1 0 325.384 2.955 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000360200389 148297252 /nfs/dbraw/zinc/29/72/52/148297252.db2.gz RDEDECWGPAVTMM-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000360840744 148467013 /nfs/dbraw/zinc/46/70/13/148467013.db2.gz CJQPYGYQRZDFOV-CQSZACIVSA-N 1 0 347.419 2.843 20 5 EFBDRO CNc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000361365377 148613022 /nfs/dbraw/zinc/61/30/22/148613022.db2.gz JQWJXEMNUIGOOH-UHFFFAOYSA-N 1 0 334.420 2.676 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000364304439 149119783 /nfs/dbraw/zinc/11/97/83/149119783.db2.gz KJBIMOUEKJSOMY-HFTRVMKXSA-N 1 0 334.416 2.844 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000364480503 149163397 /nfs/dbraw/zinc/16/33/97/149163397.db2.gz WBJHMJLPGCXVPY-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC000364581536 149189126 /nfs/dbraw/zinc/18/91/26/149189126.db2.gz GIKJFTXDSRJPCT-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364589093 149190335 /nfs/dbraw/zinc/19/03/35/149190335.db2.gz QHNFWOJCLSTXLL-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=C(CCN1CCC[C@H]1c1ncc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364639926 149205103 /nfs/dbraw/zinc/20/51/03/149205103.db2.gz WCKQGVSLILKLET-AWEZNQCLSA-N 1 0 347.350 2.623 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000364945247 149281551 /nfs/dbraw/zinc/28/15/51/149281551.db2.gz QAQAPEVGESBXKV-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000365155802 149332383 /nfs/dbraw/zinc/33/23/83/149332383.db2.gz LPHQLSFRWAQDSV-OAHLLOKOSA-N 1 0 347.415 2.612 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000367993770 150004779 /nfs/dbraw/zinc/00/47/79/150004779.db2.gz JCADRMMKEGENHZ-GOSISDBHSA-N 1 0 349.431 2.572 20 5 EFBDRO COc1cccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000368175234 150057200 /nfs/dbraw/zinc/05/72/00/150057200.db2.gz VNYASGLNQYWBPL-UHFFFAOYSA-N 1 0 344.415 2.755 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000368285409 150086226 /nfs/dbraw/zinc/08/62/26/150086226.db2.gz PBTLHTUENCEDRY-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000368325160 150095087 /nfs/dbraw/zinc/09/50/87/150095087.db2.gz XWFZPYAEYDJMPM-JSGCOSHPSA-N 1 0 335.379 2.534 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368479173 150127626 /nfs/dbraw/zinc/12/76/26/150127626.db2.gz RHJPVOKLFFTZPC-ZDUSSCGKSA-N 1 0 332.379 2.922 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564808 150150071 /nfs/dbraw/zinc/15/00/71/150150071.db2.gz WAEMYLHTURYNSR-CJNGLKHVSA-N 1 0 344.415 2.820 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368686349 150181609 /nfs/dbraw/zinc/18/16/09/150181609.db2.gz WEKDNUDUZXOVQV-GDBMZVCRSA-N 1 0 346.431 2.844 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000368686351 150182115 /nfs/dbraw/zinc/18/21/15/150182115.db2.gz WEKDNUDUZXOVQV-HOCLYGCPSA-N 1 0 346.431 2.844 20 5 EFBDRO O=C(c1ccco1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368903602 150232987 /nfs/dbraw/zinc/23/29/87/150232987.db2.gz YOBBVMSOBPIHMC-UHFFFAOYSA-N 1 0 329.356 2.536 20 5 EFBDRO CSc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000371226194 150755018 /nfs/dbraw/zinc/75/50/18/150755018.db2.gz ATSCYTYTNZUOIQ-CQSZACIVSA-N 1 0 349.456 2.921 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1csc([N+](=O)[O-])c1 ZINC000372025952 150933363 /nfs/dbraw/zinc/93/33/63/150933363.db2.gz NSMPUVKYWOVLDN-FOLVSLTJSA-N 1 0 343.408 2.517 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000372897912 151077703 /nfs/dbraw/zinc/07/77/03/151077703.db2.gz SCUMXEJSXSVAAI-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373233478 151138197 /nfs/dbraw/zinc/13/81/97/151138197.db2.gz VXQQOFYNHMTUMZ-CYBMUJFWSA-N 1 0 345.359 2.616 20 5 EFBDRO CO[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000373288107 151146910 /nfs/dbraw/zinc/14/69/10/151146910.db2.gz LQTVWXBUMRQLDZ-AWEZNQCLSA-N 1 0 332.360 2.646 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000373345864 151155505 /nfs/dbraw/zinc/15/55/05/151155505.db2.gz RIRIAMXFWPENHY-NJELEJDNSA-N 1 0 342.399 2.777 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373929751 151251089 /nfs/dbraw/zinc/25/10/89/151251089.db2.gz RPUJGPBGBZRWSQ-QWHCGFSZSA-N 1 0 335.429 2.673 20 5 EFBDRO Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000373947557 151254406 /nfs/dbraw/zinc/25/44/06/151254406.db2.gz RPZWMDUQIAEYIQ-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000374334707 151325952 /nfs/dbraw/zinc/32/59/52/151325952.db2.gz WHQSZUOPRBAQNW-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000374607087 151379751 /nfs/dbraw/zinc/37/97/51/151379751.db2.gz UQBIUNOQHYKTMY-ZWKOTPCHSA-N 1 0 346.358 2.921 20 5 EFBDRO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2(CCC2)N1 ZINC000374808882 151416004 /nfs/dbraw/zinc/41/60/04/151416004.db2.gz OJJVLKBOUMERQX-CVEARBPZSA-N 1 0 329.400 2.763 20 5 EFBDRO COc1ccc(OCCN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000375800714 151597942 /nfs/dbraw/zinc/59/79/42/151597942.db2.gz DDYHPJLULGWPKR-HUUCEWRRSA-N 1 0 349.431 2.541 20 5 EFBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000378170439 152024708 /nfs/dbraw/zinc/02/47/08/152024708.db2.gz SCOKGWWOOAAOQC-WMLDXEAASA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1sc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378306539 152052927 /nfs/dbraw/zinc/05/29/27/152052927.db2.gz LEWLQCYBOISFOQ-ZIAGYGMSSA-N 1 0 345.424 2.792 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000408085671 152150028 /nfs/dbraw/zinc/15/00/28/152150028.db2.gz BSPSVXMIDNXDQG-CQSZACIVSA-N 1 0 343.427 2.996 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000352018180 292296555 /nfs/dbraw/zinc/29/65/55/292296555.db2.gz OHFVKDHSXBHEMY-RLFYNMQTSA-N 1 0 333.432 2.759 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000343392379 164572649 /nfs/dbraw/zinc/57/26/49/164572649.db2.gz WPUMVZOFTPAJQF-HNNXBMFYSA-N 1 0 335.404 2.637 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158407972 225009590 /nfs/dbraw/zinc/00/95/90/225009590.db2.gz MTDMHWYZGZSXCH-MFKMUULPSA-N 1 0 325.796 2.660 20 5 EFBDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000159754872 225272967 /nfs/dbraw/zinc/27/29/67/225272967.db2.gz KWXXMEGZIYTXTI-UHFFFAOYSA-N 1 0 343.383 2.942 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000122467333 222093692 /nfs/dbraw/zinc/09/36/92/222093692.db2.gz DJEBQRRUMCWEKM-UHFFFAOYSA-N 1 0 331.416 2.738 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122968674 222191288 /nfs/dbraw/zinc/19/12/88/222191288.db2.gz KNPWHVJHQZFODZ-MRXNPFEDSA-N 1 0 333.432 2.826 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124211894 222392241 /nfs/dbraw/zinc/39/22/41/222392241.db2.gz GRNUSAZYBPXPIQ-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124627178 222457336 /nfs/dbraw/zinc/45/73/36/222457336.db2.gz FLVTUSQYKLJWEN-UHFFFAOYSA-N 1 0 335.408 2.623 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)CC3CC3)cs2)c1 ZINC000092505820 544546533 /nfs/dbraw/zinc/54/65/33/544546533.db2.gz CAMJGQSTCZWVDN-UHFFFAOYSA-N 1 0 333.413 2.923 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043143583 272970223 /nfs/dbraw/zinc/97/02/23/272970223.db2.gz UYWVTFJQZLWNML-AWEZNQCLSA-N 1 0 348.428 2.758 20 5 EFBDRO CC(C)(CCc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000131749924 264691290 /nfs/dbraw/zinc/69/12/90/264691290.db2.gz ATPLWEOLYWBKNT-UHFFFAOYSA-N 1 0 329.400 2.758 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000184654094 265022483 /nfs/dbraw/zinc/02/24/83/265022483.db2.gz XYEZDLXFEHOCIL-HNNXBMFYSA-N 1 0 335.448 2.868 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000184830845 265029010 /nfs/dbraw/zinc/02/90/10/265029010.db2.gz FKSHXUUARDOGSP-DLBZAZTESA-N 1 0 347.459 2.964 20 5 EFBDRO COc1cccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185543578 265044525 /nfs/dbraw/zinc/04/45/25/265044525.db2.gz KMWQBRKKIRXYLE-OKILXGFUSA-N 1 0 337.420 2.905 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186398107 265065752 /nfs/dbraw/zinc/06/57/52/265065752.db2.gz HZZASJUPANONCL-CYBMUJFWSA-N 1 0 335.404 2.860 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000188925115 265163762 /nfs/dbraw/zinc/16/37/62/265163762.db2.gz HANXVXGDRJDPCO-QGZVFWFLSA-N 1 0 344.411 2.995 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000192707355 265306013 /nfs/dbraw/zinc/30/60/13/265306013.db2.gz MLFFLXXVVPAETL-CQSZACIVSA-N 1 0 336.413 2.666 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C ZINC000193983895 265355255 /nfs/dbraw/zinc/35/52/55/265355255.db2.gz UIXDQOIDJMJQNA-HNNXBMFYSA-N 1 0 342.399 2.993 20 5 EFBDRO [NH3+]C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237893918 265467281 /nfs/dbraw/zinc/46/72/81/265467281.db2.gz FNKYXNZCLLOXHS-LLVKDONJSA-N 1 0 346.412 2.529 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000270221754 265656391 /nfs/dbraw/zinc/65/63/91/265656391.db2.gz UAFZSZQGZRPAHZ-ZDUSSCGKSA-N 1 0 334.376 2.671 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270968898 265861234 /nfs/dbraw/zinc/86/12/34/265861234.db2.gz PRPNOFSIPVLQDG-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000271307675 265942990 /nfs/dbraw/zinc/94/29/90/265942990.db2.gz RYSAPMKDPJTSPS-CQSZACIVSA-N 1 0 329.404 2.577 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)CCCO ZINC000271354633 265954343 /nfs/dbraw/zinc/95/43/43/265954343.db2.gz DRIWJPCIEITMDH-ZDUSSCGKSA-N 1 0 337.420 2.700 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505190 265995271 /nfs/dbraw/zinc/99/52/71/265995271.db2.gz MPOAGAAXYLMTKK-NOZJJQNGSA-N 1 0 336.310 2.957 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000271535670 266002830 /nfs/dbraw/zinc/00/28/30/266002830.db2.gz OURYBBPPYSTCIT-HIFRSBDPSA-N 1 0 338.404 2.905 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000271535673 266003044 /nfs/dbraw/zinc/00/30/44/266003044.db2.gz OURYBBPPYSTCIT-UKRRQHHQSA-N 1 0 338.404 2.905 20 5 EFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271539909 266003574 /nfs/dbraw/zinc/00/35/74/266003574.db2.gz UBHXYPRULZLWGB-NSHDSACASA-N 1 0 327.812 2.985 20 5 EFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580066 266010628 /nfs/dbraw/zinc/01/06/28/266010628.db2.gz RSZIEMJHLVWUSS-MNOVXSKESA-N 1 0 335.360 2.525 20 5 EFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134070 272993850 /nfs/dbraw/zinc/99/38/50/272993850.db2.gz UWJHWUBHEIWXBO-MRXNPFEDSA-N 1 0 348.447 2.639 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731211 266052390 /nfs/dbraw/zinc/05/23/90/266052390.db2.gz NFVFRNKKQRQIKB-DZKIICNBSA-N 1 0 346.431 2.782 20 5 EFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271912266 266094750 /nfs/dbraw/zinc/09/47/50/266094750.db2.gz YDGFSCIATQDLBX-CXAGYDPISA-N 1 0 349.431 2.699 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1O ZINC000272045920 266135371 /nfs/dbraw/zinc/13/53/71/266135371.db2.gz WXJWPWBQXDUEPX-KGLIPLIRSA-N 1 0 338.404 2.992 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000272126890 266162485 /nfs/dbraw/zinc/16/24/85/266162485.db2.gz ATLSZTDWGVHFSE-LBPRGKRZSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272168164 266175520 /nfs/dbraw/zinc/17/55/20/266175520.db2.gz IVHAFYPPFIBGET-LBPRGKRZSA-N 1 0 344.415 2.878 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272222414 266194412 /nfs/dbraw/zinc/19/44/12/266194412.db2.gz NWVJOCMZFWXOSZ-GXTWGEPZSA-N 1 0 341.358 2.676 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272223824 266195284 /nfs/dbraw/zinc/19/52/84/266195284.db2.gz SLXUDYJHAYITEU-QMTHXVAHSA-N 1 0 340.221 2.888 20 5 EFBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312607 266226305 /nfs/dbraw/zinc/22/63/05/266226305.db2.gz SASSYCXKNWSDLD-HIFRSBDPSA-N 1 0 329.404 2.651 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365425 266243035 /nfs/dbraw/zinc/24/30/35/266243035.db2.gz SVEQNFJQDFZVMO-DZGCQCFKSA-N 1 0 343.383 2.828 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272449914 266270092 /nfs/dbraw/zinc/27/00/92/266270092.db2.gz CBILDYUKNJYFSP-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000272550456 266305170 /nfs/dbraw/zinc/30/51/70/266305170.db2.gz MBDVPBRYEARFFB-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272562258 266307441 /nfs/dbraw/zinc/30/74/41/266307441.db2.gz GUMUCNXJGGMSHN-AWEZNQCLSA-N 1 0 348.447 2.995 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272595870 266320176 /nfs/dbraw/zinc/32/01/76/266320176.db2.gz UMHBKFLPQSCGJX-GRDNDAEWSA-N 1 0 349.431 2.713 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1(C(=O)OC)CCC1 ZINC000272608080 266324505 /nfs/dbraw/zinc/32/45/05/266324505.db2.gz YURPTJWYMYAFNK-HNNXBMFYSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272625245 266329400 /nfs/dbraw/zinc/32/94/00/266329400.db2.gz APBNCEUGRHAWHK-CYBMUJFWSA-N 1 0 331.416 2.639 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000272633262 266334242 /nfs/dbraw/zinc/33/42/42/266334242.db2.gz XFWVLGAIWPVNDR-RRQGHBQHSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272656199 266342256 /nfs/dbraw/zinc/34/22/56/266342256.db2.gz BFXFPBOFWAJLIJ-CQSZACIVSA-N 1 0 346.431 2.554 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000272761347 266374023 /nfs/dbraw/zinc/37/40/23/266374023.db2.gz AKJXTYCMVZAYBQ-TZMCWYRMSA-N 1 0 348.403 2.551 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000272817831 266390078 /nfs/dbraw/zinc/39/00/78/266390078.db2.gz KOLCHUPPKFNHDS-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO CNC(=O)CC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272854853 266399255 /nfs/dbraw/zinc/39/92/55/266399255.db2.gz PFWUQXBNHMWHPZ-UHFFFAOYSA-N 1 0 342.399 2.804 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422143 266496567 /nfs/dbraw/zinc/49/65/67/266496567.db2.gz JWJMSZHAFVXUQY-WBVHZDCISA-N 1 0 348.378 2.783 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273915145 266578291 /nfs/dbraw/zinc/57/82/91/266578291.db2.gz DPOINICJCUCLIA-CYBMUJFWSA-N 1 0 337.395 2.612 20 5 EFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020480 266599928 /nfs/dbraw/zinc/59/99/28/266599928.db2.gz MUGUAZSZBXJQTD-NWDGAFQWSA-N 1 0 347.371 2.927 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274520712 266666043 /nfs/dbraw/zinc/66/60/43/266666043.db2.gz WOCXFONYUXYVOC-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO Nc1c(F)c(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000274717033 266696919 /nfs/dbraw/zinc/69/69/19/266696919.db2.gz ZYNBIRLUFBBENL-UHFFFAOYSA-N 1 0 345.378 2.788 20 5 EFBDRO CN1C(=O)CCc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000274756521 266702595 /nfs/dbraw/zinc/70/25/95/266702595.db2.gz GBACGSVWOPVOQX-UHFFFAOYSA-N 1 0 339.395 2.836 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107695417 273008051 /nfs/dbraw/zinc/00/80/51/273008051.db2.gz YRLKKVQOCNFZOC-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCOC1 ZINC000107693766 273008117 /nfs/dbraw/zinc/00/81/17/273008117.db2.gz BFPWKQFWLZTWSI-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000276529390 267007011 /nfs/dbraw/zinc/00/70/11/267007011.db2.gz YMOKPQPXVGOJGY-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCOc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276828342 267056887 /nfs/dbraw/zinc/05/68/87/267056887.db2.gz AOGQJLJWLDUWCJ-UHFFFAOYSA-N 1 0 349.431 2.684 20 5 EFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000276933774 267080723 /nfs/dbraw/zinc/08/07/23/267080723.db2.gz ACTCBDUTOZDCOL-MRXNPFEDSA-N 1 0 342.399 2.693 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277086264 267111791 /nfs/dbraw/zinc/11/17/91/267111791.db2.gz AXIWJWCYRCSBQS-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107599 267115110 /nfs/dbraw/zinc/11/51/10/267115110.db2.gz GXIBEBSYEVMGEE-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CCC1 ZINC000277116262 267116882 /nfs/dbraw/zinc/11/68/82/267116882.db2.gz IJERKXKQODEKMB-ZDUSSCGKSA-N 1 0 349.431 2.951 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277132961 267119560 /nfs/dbraw/zinc/11/95/60/267119560.db2.gz JJWZPBCRBDTSKB-OAHLLOKOSA-N 1 0 348.447 2.654 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000277255321 267140419 /nfs/dbraw/zinc/14/04/19/267140419.db2.gz ZTJHBRQCINISNH-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000277366466 267165217 /nfs/dbraw/zinc/16/52/17/267165217.db2.gz CVGCDNVAWOZECG-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000277363186 267165553 /nfs/dbraw/zinc/16/55/53/267165553.db2.gz CNUSYLSDNVVNIZ-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000277434471 267179907 /nfs/dbraw/zinc/17/99/07/267179907.db2.gz DYGZTMZSEXJEHL-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277567760 267201113 /nfs/dbraw/zinc/20/11/13/267201113.db2.gz KRVMCFBITHMPAQ-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277583992 267204628 /nfs/dbraw/zinc/20/46/28/267204628.db2.gz RSFFZBOTEFPFDN-KXKDPZRNSA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277612050 267211809 /nfs/dbraw/zinc/21/18/09/267211809.db2.gz AUUSWTNCLRVRJS-ZDUSSCGKSA-N 1 0 341.839 2.839 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277747022 267252079 /nfs/dbraw/zinc/25/20/79/267252079.db2.gz LFYPFISDLXKGSV-SMDDNHRTSA-N 1 0 348.321 2.609 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000277772391 267259778 /nfs/dbraw/zinc/25/97/78/267259778.db2.gz NDNJEBPKFFUINX-MRXNPFEDSA-N 1 0 326.368 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277791109 267264416 /nfs/dbraw/zinc/26/44/16/267264416.db2.gz ONSHEVQDFPPECL-BXUZGUMPSA-N 1 0 348.321 2.609 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000277818888 267271246 /nfs/dbraw/zinc/27/12/46/267271246.db2.gz QSFFKFHVUWUABU-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277856234 267280609 /nfs/dbraw/zinc/28/06/09/267280609.db2.gz TVUSMWFVWVMRDN-JSGCOSHPSA-N 1 0 332.322 2.773 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000278120266 267347831 /nfs/dbraw/zinc/34/78/31/267347831.db2.gz QHUQLZLEJWDHOI-SMDDNHRTSA-N 1 0 348.334 2.710 20 5 EFBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278546821 267477915 /nfs/dbraw/zinc/47/79/15/267477915.db2.gz AXRARTBAPZGVBH-YVEFUNNKSA-N 1 0 348.424 2.953 20 5 EFBDRO CCC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278570743 267483710 /nfs/dbraw/zinc/48/37/10/267483710.db2.gz XILFHMFGYMBZEM-KRWDZBQOSA-N 1 0 333.432 2.890 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000193844152 273065577 /nfs/dbraw/zinc/06/55/77/273065577.db2.gz WZWLVHZCWBVIEB-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCC2 ZINC000271118638 273099213 /nfs/dbraw/zinc/09/92/13/273099213.db2.gz IVIZKAYWDVXBPN-GFCCVEGCSA-N 1 0 347.444 2.793 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000271124079 273099616 /nfs/dbraw/zinc/09/96/16/273099616.db2.gz KFZJOUNVBIOFBS-LBPRGKRZSA-N 1 0 325.434 2.533 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C(C)C ZINC000271137551 273100986 /nfs/dbraw/zinc/10/09/86/273100986.db2.gz NNFDIDNRZNIAOM-ZDUSSCGKSA-N 1 0 339.461 2.827 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000274308303 273131525 /nfs/dbraw/zinc/13/15/25/273131525.db2.gz SSBZUCNVKAIXIV-CABCVRRESA-N 1 0 335.404 2.715 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274960189 273135663 /nfs/dbraw/zinc/13/56/63/273135663.db2.gz IUXVVKUNHRQINI-UHFFFAOYSA-N 1 0 341.415 2.902 20 5 EFBDRO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276971028 273144571 /nfs/dbraw/zinc/14/45/71/273144571.db2.gz WWVMNTMKCXFDLN-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000277156167 273149219 /nfs/dbraw/zinc/14/92/19/273149219.db2.gz WXTUSMFPQSXLJI-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277505860 273158796 /nfs/dbraw/zinc/15/87/96/273158796.db2.gz QDRJMBWXSPXFJS-HNNXBMFYSA-N 1 0 349.431 2.719 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278989620 273163742 /nfs/dbraw/zinc/16/37/42/273163742.db2.gz DSRBRFWIRSNIEX-WBMJQRKESA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(C(F)(F)F)cs1 ZINC000279059048 273171741 /nfs/dbraw/zinc/17/17/41/273171741.db2.gz ZBZIPRXECSGEMM-SSDOTTSWSA-N 1 0 335.311 2.617 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279058422 273171787 /nfs/dbraw/zinc/17/17/87/273171787.db2.gz KPLYRTZNXIFBST-LRDDRELGSA-N 1 0 331.416 2.918 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCO1 ZINC000279062044 273172149 /nfs/dbraw/zinc/17/21/49/273172149.db2.gz LQCCLZNRUIETTB-RDJZCZTQSA-N 1 0 338.404 2.666 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC2(C(N)=O)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084964 273174939 /nfs/dbraw/zinc/17/49/39/273174939.db2.gz MZGRJLDUPLZTQP-OAHLLOKOSA-N 1 0 331.416 2.953 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279156073 273182905 /nfs/dbraw/zinc/18/29/05/273182905.db2.gz TTYGUQGONQMEJX-CXAGYDPISA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212909 273189165 /nfs/dbraw/zinc/18/91/65/273189165.db2.gz YJVIOEBPJRVYAJ-IAGOWNOFSA-N 1 0 334.416 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3CCO)co2)cc1 ZINC000279254118 273193641 /nfs/dbraw/zinc/19/36/41/273193641.db2.gz LKZAIKIDHZRHPG-LRDDRELGSA-N 1 0 331.372 2.891 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000279351875 273205688 /nfs/dbraw/zinc/20/56/88/273205688.db2.gz QLAMORQKCNMWOU-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279406658 273211868 /nfs/dbraw/zinc/21/18/68/273211868.db2.gz WYCFMCXBMCHUTG-UHFFFAOYSA-N 1 0 345.802 2.778 20 5 EFBDRO CO[C@]1(C)CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000279458403 273217639 /nfs/dbraw/zinc/21/76/39/273217639.db2.gz ZYVPYHCYFDAOTQ-MRXNPFEDSA-N 1 0 332.360 2.646 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n1C ZINC000279553327 273227511 /nfs/dbraw/zinc/22/75/11/273227511.db2.gz RBXWDTXDIRWDEZ-KRWDZBQOSA-N 1 0 341.411 2.713 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000279624910 273235431 /nfs/dbraw/zinc/23/54/31/273235431.db2.gz BDJRUALDNMTCKR-ZBFHGGJFSA-N 1 0 333.432 2.764 20 5 EFBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000279665355 273239768 /nfs/dbraw/zinc/23/97/68/273239768.db2.gz GYMQKMBUNONWGD-JTQLQIEISA-N 1 0 340.763 2.605 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279669585 273240149 /nfs/dbraw/zinc/24/01/49/273240149.db2.gz FNYFOAOTEOKIIN-HNNXBMFYSA-N 1 0 337.807 2.833 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000279752534 273249527 /nfs/dbraw/zinc/24/95/27/273249527.db2.gz QIHGFDVACLZAPJ-UHFFFAOYSA-N 1 0 349.456 2.701 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000279804498 273255317 /nfs/dbraw/zinc/25/53/17/273255317.db2.gz PKTZUVCRMIPRQZ-HIFRSBDPSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810989 273255965 /nfs/dbraw/zinc/25/59/65/273255965.db2.gz PWFZPCRLOJWGIQ-IUODEOHRSA-N 1 0 346.387 2.770 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279810986 273256003 /nfs/dbraw/zinc/25/60/03/273256003.db2.gz PWFZPCRLOJWGIQ-DOMZBBRYSA-N 1 0 346.387 2.770 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816859 273256604 /nfs/dbraw/zinc/25/66/04/273256604.db2.gz QHFCOXYRCGWXHD-DOMZBBRYSA-N 1 0 336.388 2.587 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199186 273301418 /nfs/dbraw/zinc/30/14/18/273301418.db2.gz IVEMEYCTAUYNMT-GDBMZVCRSA-N 1 0 349.431 2.683 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237662 273305713 /nfs/dbraw/zinc/30/57/13/273305713.db2.gz AUCHSLGOBKDZEI-SUMWQHHRSA-N 1 0 335.404 2.813 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237643 273305730 /nfs/dbraw/zinc/30/57/30/273305730.db2.gz AUCHSLGOBKDZEI-CXAGYDPISA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280559678 273341044 /nfs/dbraw/zinc/34/10/44/273341044.db2.gz UPTPQBWNUAVVTC-ACJLOTCBSA-N 1 0 343.383 2.836 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000280733577 273360941 /nfs/dbraw/zinc/36/09/41/273360941.db2.gz VNTYZPPCHAALQV-VIFPVBQESA-N 1 0 343.786 2.529 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000280754706 273363295 /nfs/dbraw/zinc/36/32/95/273363295.db2.gz DZRBSKWDIHTAGD-AHIWAGSCSA-N 1 0 334.416 2.552 20 5 EFBDRO CCC(=O)c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000280776778 273365499 /nfs/dbraw/zinc/36/54/99/273365499.db2.gz SKIOBNZAXVIAFW-ZBFHGGJFSA-N 1 0 337.445 2.669 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000280865497 273375302 /nfs/dbraw/zinc/37/53/02/273375302.db2.gz CMSQZESNNJDPDP-CRAIPNDOSA-N 1 0 345.443 2.764 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000280873910 273376194 /nfs/dbraw/zinc/37/61/94/273376194.db2.gz FMCKEPMYJIGTPF-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000280933224 273382773 /nfs/dbraw/zinc/38/27/73/273382773.db2.gz IHCIVSKUUGAUEI-GFCCVEGCSA-N 1 0 326.418 2.521 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000280933237 273383003 /nfs/dbraw/zinc/38/30/03/273383003.db2.gz IHCIVSKUUGAUEI-LBPRGKRZSA-N 1 0 326.418 2.521 20 5 EFBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCC1 ZINC000281025467 273392987 /nfs/dbraw/zinc/39/29/87/273392987.db2.gz SRNCQCDLXWUZFY-UHFFFAOYSA-N 1 0 331.376 2.530 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000281034148 273393833 /nfs/dbraw/zinc/39/38/33/273393833.db2.gz VSUPJAYCAHEHDH-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000281037033 273394050 /nfs/dbraw/zinc/39/40/50/273394050.db2.gz VXPMYATVSVQEFZ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281045841 273394883 /nfs/dbraw/zinc/39/48/83/273394883.db2.gz HGYIPOLBGXKPKG-GOSISDBHSA-N 1 0 343.383 2.813 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433280895 273538303 /nfs/dbraw/zinc/53/83/03/273538303.db2.gz GIXAEPOPNSPNEA-WBMJQRKESA-N 1 0 331.416 2.916 20 5 EFBDRO COCCn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000282956931 273645220 /nfs/dbraw/zinc/64/52/20/273645220.db2.gz ZLXICJGLCKXKTA-QGZVFWFLSA-N 1 0 330.388 2.605 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000283106607 273669833 /nfs/dbraw/zinc/66/98/33/273669833.db2.gz MEJMYPKOWPWBAR-CVEARBPZSA-N 1 0 339.436 2.746 20 5 EFBDRO CCOc1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000283371478 273707261 /nfs/dbraw/zinc/70/72/61/273707261.db2.gz CRJGHMYZBMJZOM-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO CC[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000170639614 273746949 /nfs/dbraw/zinc/74/69/49/273746949.db2.gz KZBXJFZCIMHGRM-CYBMUJFWSA-N 1 0 332.404 2.766 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340413870 273748228 /nfs/dbraw/zinc/74/82/28/273748228.db2.gz QUSQHUGGWAULNU-HZSPNIEDSA-N 1 0 340.445 2.595 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000283811653 273762923 /nfs/dbraw/zinc/76/29/23/273762923.db2.gz CGLKGQHNNZFDFW-AWEZNQCLSA-N 1 0 349.406 2.846 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411104478 273794056 /nfs/dbraw/zinc/79/40/56/273794056.db2.gz YBMVEPYPAFECHU-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284100760 273797314 /nfs/dbraw/zinc/79/73/14/273797314.db2.gz MUKYKKWYLOZJFY-GTNSWQLSSA-N 1 0 331.372 2.570 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000284897738 273904018 /nfs/dbraw/zinc/90/40/18/273904018.db2.gz CDAGXGOVMNMILS-GLZXHMCRSA-N 1 0 335.404 2.554 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285142076 273949149 /nfs/dbraw/zinc/94/91/49/273949149.db2.gz OSNVQJFRAFZTJX-GOEBONIOSA-N 1 0 346.431 2.926 20 5 EFBDRO Cc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000285488596 274009926 /nfs/dbraw/zinc/00/99/26/274009926.db2.gz MCEBTOWNZDPPKL-UHFFFAOYSA-N 1 0 339.193 2.652 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421022605 274015575 /nfs/dbraw/zinc/01/55/75/274015575.db2.gz AKLLMMMCQUDIRL-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285572135 274028110 /nfs/dbraw/zinc/02/81/10/274028110.db2.gz NUOBYVUHAGAKPH-CQSZACIVSA-N 1 0 348.321 2.753 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285614523 274038366 /nfs/dbraw/zinc/03/83/66/274038366.db2.gz QFSWKJWHZWAWHC-DOMZBBRYSA-N 1 0 334.376 2.562 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000285633829 274042395 /nfs/dbraw/zinc/04/23/95/274042395.db2.gz KOKBECVBODKRFN-CYBMUJFWSA-N 1 0 340.445 2.911 20 5 EFBDRO COC[C@@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261865228 274047154 /nfs/dbraw/zinc/04/71/54/274047154.db2.gz YFOFKOAMFUPUCF-ZDUSSCGKSA-N 1 0 344.209 2.538 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285725118 274061586 /nfs/dbraw/zinc/06/15/86/274061586.db2.gz XDOUPFGFYVUCOV-DGCLKSJQSA-N 1 0 325.359 2.932 20 5 EFBDRO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000285785033 274074410 /nfs/dbraw/zinc/07/44/10/274074410.db2.gz OKGYEJLAKCVXEF-GMTAPVOTSA-N 1 0 331.376 2.671 20 5 EFBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801247 274077700 /nfs/dbraw/zinc/07/77/00/274077700.db2.gz FUQNZCRCPJUHEE-IUODEOHRSA-N 1 0 339.823 2.543 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000285804034 274078126 /nfs/dbraw/zinc/07/81/26/274078126.db2.gz MTPFGIPRLMZZTD-UHFFFAOYSA-N 1 0 345.399 2.711 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000285898338 274096542 /nfs/dbraw/zinc/09/65/42/274096542.db2.gz RVLWDAFTBPOSOL-IVXVGSNXSA-N 1 0 329.400 2.693 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285924409 274101443 /nfs/dbraw/zinc/10/14/43/274101443.db2.gz UWFUVSVHLKRYMZ-UHFFFAOYSA-N 1 0 331.372 2.782 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000285966730 274108460 /nfs/dbraw/zinc/10/84/60/274108460.db2.gz DNFWSXOSSLXTLO-GFCCVEGCSA-N 1 0 326.418 2.810 20 5 EFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000286056783 274124864 /nfs/dbraw/zinc/12/48/64/274124864.db2.gz IZRZROODOGCRIJ-OAHLLOKOSA-N 1 0 341.383 2.713 20 5 EFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000286078348 274129113 /nfs/dbraw/zinc/12/91/13/274129113.db2.gz JYLTVMCFOARMMF-HNNXBMFYSA-N 1 0 337.420 2.883 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000286182165 274148930 /nfs/dbraw/zinc/14/89/30/274148930.db2.gz KZUNSYGZSJCZNV-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000286238339 274159809 /nfs/dbraw/zinc/15/98/09/274159809.db2.gz UQGYOHGKZOSZNQ-CQSZACIVSA-N 1 0 332.404 2.513 20 5 EFBDRO CCC[NH+]1CCC(N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286239316 274160027 /nfs/dbraw/zinc/16/00/27/274160027.db2.gz MBZQCIYXOLDACM-UHFFFAOYSA-N 1 0 335.433 2.910 20 5 EFBDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000286296829 274172067 /nfs/dbraw/zinc/17/20/67/274172067.db2.gz CGOLULJCIVNRBK-CQSZACIVSA-N 1 0 346.305 2.565 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000286334904 274180560 /nfs/dbraw/zinc/18/05/60/274180560.db2.gz VNHYGSNVTWFNAX-ZYHUDNBSSA-N 1 0 333.417 2.520 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000286346719 274182651 /nfs/dbraw/zinc/18/26/51/274182651.db2.gz WGMXIPUNDKWSPP-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286403376 274193925 /nfs/dbraw/zinc/19/39/25/274193925.db2.gz ZTKKNCDJNGTDII-ZYHUDNBSSA-N 1 0 333.417 2.520 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000286438352 274201371 /nfs/dbraw/zinc/20/13/71/274201371.db2.gz MDENDPGCLCVEQB-CYBMUJFWSA-N 1 0 339.823 2.797 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286442131 274202196 /nfs/dbraw/zinc/20/21/96/274202196.db2.gz OFGVOXYNCYSAFX-PWSUYJOCSA-N 1 0 333.417 2.663 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342889752 274218514 /nfs/dbraw/zinc/21/85/14/274218514.db2.gz ZMEMNAVJDVGIEJ-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181570155 274254422 /nfs/dbraw/zinc/25/44/22/274254422.db2.gz SYEHBCVRBGKASX-NEPJUHHUSA-N 1 0 329.356 2.978 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740183 274263210 /nfs/dbraw/zinc/26/32/10/274263210.db2.gz YBPKXQGWLGTKIH-CHWSQXEVSA-N 1 0 332.322 2.896 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286747108 274264672 /nfs/dbraw/zinc/26/46/72/274264672.db2.gz CZEMUGQUFWAXPL-JKIFEVAISA-N 1 0 346.431 2.924 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000286832086 274282178 /nfs/dbraw/zinc/28/21/78/274282178.db2.gz XKUVXQZZGDSIGN-UHFFFAOYSA-N 1 0 348.447 2.652 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000286846295 274285614 /nfs/dbraw/zinc/28/56/14/274285614.db2.gz XPNGQYRXLJKFKM-JKSUJKDBSA-N 1 0 348.447 2.652 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286855996 274287467 /nfs/dbraw/zinc/28/74/67/274287467.db2.gz BTPOWCAPJWNUCJ-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286930274 274303094 /nfs/dbraw/zinc/30/30/94/274303094.db2.gz LJAUAUVVCVMWEK-TZMCWYRMSA-N 1 0 332.404 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286938092 274305084 /nfs/dbraw/zinc/30/50/84/274305084.db2.gz LWDLXQUKHPXPMZ-WFASDCNBSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287058096 274331947 /nfs/dbraw/zinc/33/19/47/274331947.db2.gz TUZYROYIPSWQJR-NNQSOWQGSA-N 1 0 332.404 2.992 20 5 EFBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000287086727 274338550 /nfs/dbraw/zinc/33/85/50/274338550.db2.gz KSGMKTASSUAAIZ-DZGCQCFKSA-N 1 0 347.415 2.611 20 5 EFBDRO CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000287107545 274344314 /nfs/dbraw/zinc/34/43/14/274344314.db2.gz ZLOBGVCQSWODIC-KGLIPLIRSA-N 1 0 325.409 2.750 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCCO ZINC000287338128 274398117 /nfs/dbraw/zinc/39/81/17/274398117.db2.gz MUTSIVNFQXFEJE-ZDUSSCGKSA-N 1 0 342.461 2.843 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCCO ZINC000287338123 274398125 /nfs/dbraw/zinc/39/81/25/274398125.db2.gz MUTSIVNFQXFEJE-CYBMUJFWSA-N 1 0 342.461 2.843 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000433240010 274491553 /nfs/dbraw/zinc/49/15/53/274491553.db2.gz JZWUZBFFFFJCRW-KDOFPFPSSA-N 1 0 347.459 2.875 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000288218983 274550508 /nfs/dbraw/zinc/55/05/08/274550508.db2.gz DPNXOGWEDFTWIW-RHSMWYFYSA-N 1 0 345.443 2.958 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288564636 274619192 /nfs/dbraw/zinc/61/91/92/274619192.db2.gz WKTIYMYXCIBRBI-NWDGAFQWSA-N 1 0 337.807 2.947 20 5 EFBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000289352279 274745718 /nfs/dbraw/zinc/74/57/18/274745718.db2.gz NDFMCODRHCVWTQ-HZPDHXFCSA-N 1 0 349.431 2.767 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000073052232 274756760 /nfs/dbraw/zinc/75/67/60/274756760.db2.gz PCZFOIKSIFGHJF-QGZVFWFLSA-N 1 0 345.399 2.659 20 5 EFBDRO [NH3+]CCN(Cc1cnc([C@H]2CCCO2)s1)c1ccccc1[N+](=O)[O-] ZINC000289673635 274802021 /nfs/dbraw/zinc/80/20/21/274802021.db2.gz DOVTXZZGVSSXAP-OAHLLOKOSA-N 1 0 348.428 2.868 20 5 EFBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289764992 274818155 /nfs/dbraw/zinc/81/81/55/274818155.db2.gz XDJRHGSJXJGQFI-TZMCWYRMSA-N 1 0 325.796 2.595 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230133204 274958260 /nfs/dbraw/zinc/95/82/60/274958260.db2.gz UKMKWGUJMVZTHG-ZMLRMANQSA-N 1 0 340.221 2.921 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264575940 274967528 /nfs/dbraw/zinc/96/75/28/274967528.db2.gz INUMWBIUOQZDGF-RCMYXZNBSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358497211 275011583 /nfs/dbraw/zinc/01/15/83/275011583.db2.gz ARBVIQSKIFSKIY-UHFFFAOYSA-N 1 0 329.356 2.557 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CCCCC4)C3)cc2N1 ZINC000264543377 275018435 /nfs/dbraw/zinc/01/84/35/275018435.db2.gz BCZWMNPNJVDVJM-AWEZNQCLSA-N 1 0 344.415 2.544 20 5 EFBDRO O=CN1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000273008179 275031653 /nfs/dbraw/zinc/03/16/53/275031653.db2.gz VOGSEWWJTPONDN-UHFFFAOYSA-N 1 0 336.391 2.610 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000261814740 275033856 /nfs/dbraw/zinc/03/38/56/275033856.db2.gz GSHLKEJTGWZRRW-GFCCVEGCSA-N 1 0 333.417 2.568 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467063 275039622 /nfs/dbraw/zinc/03/96/22/275039622.db2.gz CGXQOPFNZVVBBD-IBGZPJMESA-N 1 0 342.395 2.955 20 5 EFBDRO C/C(=C/c1ccccc1)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192684695 275399035 /nfs/dbraw/zinc/39/90/35/275399035.db2.gz LSTAWHMHTDVCGO-CIMVEIJJSA-N 1 0 342.395 2.682 20 5 EFBDRO CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000097083802 275486843 /nfs/dbraw/zinc/48/68/43/275486843.db2.gz NMCCJTNZURZQFD-ZDUSSCGKSA-N 1 0 328.372 2.556 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000375935470 275535220 /nfs/dbraw/zinc/53/52/20/275535220.db2.gz VVYFUPAWVULBIA-WFASDCNBSA-N 1 0 331.416 2.716 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000360882008 275861994 /nfs/dbraw/zinc/86/19/94/275861994.db2.gz BSKFGVAQNCQFQI-IAGOWNOFSA-N 1 0 334.416 2.694 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000345080176 276107436 /nfs/dbraw/zinc/10/74/36/276107436.db2.gz JXRRZQMEJMMVSW-AWEZNQCLSA-N 1 0 336.436 2.509 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245455687 276109686 /nfs/dbraw/zinc/10/96/86/276109686.db2.gz SRTBGBFOEWEPKE-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000346324637 276124836 /nfs/dbraw/zinc/12/48/36/276124836.db2.gz ACKGMUHBIMYXPJ-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000345904270 276240008 /nfs/dbraw/zinc/24/00/08/276240008.db2.gz KVIRJYKMBSOMMT-NWDGAFQWSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195441854 276325913 /nfs/dbraw/zinc/32/59/13/276325913.db2.gz OMSXRRJWLVZZLK-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338047756 276329995 /nfs/dbraw/zinc/32/99/95/276329995.db2.gz DGICIDCRGKNFNX-CQSZACIVSA-N 1 0 336.436 2.509 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000343972338 277018363 /nfs/dbraw/zinc/01/83/63/277018363.db2.gz DSPBEVMHIFTHEY-XGWTYTTDSA-N 1 0 331.416 2.892 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000360868798 277084811 /nfs/dbraw/zinc/08/48/11/277084811.db2.gz BFZCUVRZHAGKEL-DZGCQCFKSA-N 1 0 343.387 2.565 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281436 277244191 /nfs/dbraw/zinc/24/41/91/277244191.db2.gz JECWGOYSLXSMST-WQVCFCJDSA-N 1 0 331.416 2.822 20 5 EFBDRO C[NH2+]CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000070190159 277266173 /nfs/dbraw/zinc/26/61/73/277266173.db2.gz GYMOUXDYODLBKE-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000123130724 277390018 /nfs/dbraw/zinc/39/00/18/277390018.db2.gz MSRLKFCYZYHUSL-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236710292 277510383 /nfs/dbraw/zinc/51/03/83/277510383.db2.gz HVURYWDHVUEFBC-GOSISDBHSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCCC1 ZINC000263775669 277589287 /nfs/dbraw/zinc/58/92/87/277589287.db2.gz XPDZCTXDROEQEZ-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429191138 277909380 /nfs/dbraw/zinc/90/93/80/277909380.db2.gz OTLLUJBYOZIMEW-UKRRQHHQSA-N 1 0 348.447 2.544 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000076898005 278037483 /nfs/dbraw/zinc/03/74/83/278037483.db2.gz NSYQSYZEDOTYFD-OAHLLOKOSA-N 1 0 335.448 2.919 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000343974259 278071500 /nfs/dbraw/zinc/07/15/00/278071500.db2.gz FUNOYRKSIQFONM-UOJCXKCYSA-N 1 0 331.416 2.892 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457106027 278174885 /nfs/dbraw/zinc/17/48/85/278174885.db2.gz CTQDCYFLEKTQJL-GFCCVEGCSA-N 1 0 337.445 2.871 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000340940348 278202603 /nfs/dbraw/zinc/20/26/03/278202603.db2.gz RBCPWAWBLIOMOC-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110349774 278270203 /nfs/dbraw/zinc/27/02/03/278270203.db2.gz GDFBJHOQXVHNRN-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCCCC1 ZINC000344948930 278281760 /nfs/dbraw/zinc/28/17/60/278281760.db2.gz KMUKYUQVLHWTAO-ZDUSSCGKSA-N 1 0 344.415 2.928 20 5 EFBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545818 278374592 /nfs/dbraw/zinc/37/45/92/278374592.db2.gz YGAUSOJBKJNDQH-CHWSQXEVSA-N 1 0 338.408 2.596 20 5 EFBDRO C[C@@H]1C[NH+](CC2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000192788867 278744465 /nfs/dbraw/zinc/74/44/65/278744465.db2.gz KYLFOYJGBCIWDS-ZIAGYGMSSA-N 1 0 348.447 2.503 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370636277 278899555 /nfs/dbraw/zinc/89/95/55/278899555.db2.gz SJHAMXRBVKHXDC-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1[C@H](C)N(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000356797940 279104610 /nfs/dbraw/zinc/10/46/10/279104610.db2.gz QZEJVOAYLOSBCO-ZJUUUORDSA-N 1 0 328.210 2.886 20 5 EFBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564249 279121075 /nfs/dbraw/zinc/12/10/75/279121075.db2.gz WDHJTADHHUAWRJ-XHSDSOJGSA-N 1 0 338.452 2.909 20 5 EFBDRO Cc1nn(C)c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000265221166 279200820 /nfs/dbraw/zinc/20/08/20/279200820.db2.gz GJJFGEZODGEIKB-GFCCVEGCSA-N 1 0 335.433 2.947 20 5 EFBDRO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359628197 279201579 /nfs/dbraw/zinc/20/15/79/279201579.db2.gz ZHKIGKWWAPPYPY-HZSPNIEDSA-N 1 0 347.415 2.577 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000120705140 279344816 /nfs/dbraw/zinc/34/48/16/279344816.db2.gz HJWDHYUSVNIFKV-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163963236 279728201 /nfs/dbraw/zinc/72/82/01/279728201.db2.gz HIKJELANNZQAPM-UWVGGRQHSA-N 1 0 328.210 2.778 20 5 EFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339089996 279797317 /nfs/dbraw/zinc/79/73/17/279797317.db2.gz FHKYAANKFBKKJN-ZIAGYGMSSA-N 1 0 348.321 2.897 20 5 EFBDRO CCOc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351505112 279985909 /nfs/dbraw/zinc/98/59/09/279985909.db2.gz ZPPSOLISPKKWTF-CABCVRRESA-N 1 0 345.403 2.859 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453435940 280156622 /nfs/dbraw/zinc/15/66/22/280156622.db2.gz ULXIRNZFEXMXMI-BLLLJJGKSA-N 1 0 337.445 2.724 20 5 EFBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCc2ccccc21 ZINC000341681881 280167965 /nfs/dbraw/zinc/16/79/65/280167965.db2.gz BNHFNYFLIGOKTF-SFHVURJKSA-N 1 0 327.384 2.598 20 5 EFBDRO Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363664955 280300199 /nfs/dbraw/zinc/30/01/99/280300199.db2.gz LKZVXRWNEPYCLK-ACJLOTCBSA-N 1 0 343.383 2.623 20 5 EFBDRO Cc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000374062320 280323128 /nfs/dbraw/zinc/32/31/28/280323128.db2.gz RFCZKGRJZSSCTM-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000420266300 280367808 /nfs/dbraw/zinc/36/78/08/280367808.db2.gz VQLYDFLLWURLBM-KGLIPLIRSA-N 1 0 342.374 2.842 20 5 EFBDRO Cc1cccc(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000364635270 281224670 /nfs/dbraw/zinc/22/46/70/281224670.db2.gz LKIZJYMKIBOJNM-UHFFFAOYSA-N 1 0 333.432 2.842 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346257711 281257068 /nfs/dbraw/zinc/25/70/68/281257068.db2.gz HBZMVHMCJIPUJO-IVMMDQJWSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000194484721 281258425 /nfs/dbraw/zinc/25/84/25/281258425.db2.gz IJCKOFFLEZHQRO-VNHYZAJKSA-N 1 0 333.432 2.999 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000422005763 289063428 /nfs/dbraw/zinc/06/34/28/289063428.db2.gz JTVRETQXGUEXQR-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425277365 290280901 /nfs/dbraw/zinc/28/09/01/290280901.db2.gz CRZZXPSECOPSLE-JOYOIKCWSA-N 1 0 330.310 2.539 20 5 EFBDRO CCC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090882113 292857906 /nfs/dbraw/zinc/85/79/06/292857906.db2.gz KFDOMXGDOROAGV-MRXNPFEDSA-N 1 0 340.445 2.850 20 5 EFBDRO CC[NH+](CC)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119906633 292916619 /nfs/dbraw/zinc/91/66/19/292916619.db2.gz TZVDCGJMBSIHTL-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126363236 293036428 /nfs/dbraw/zinc/03/64/28/293036428.db2.gz GKKLMXPORVMFOZ-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000127313616 293065581 /nfs/dbraw/zinc/06/55/81/293065581.db2.gz QERFFHXHAUTBSR-AWEZNQCLSA-N 1 0 335.404 2.692 20 5 EFBDRO C[NH+](C)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000127853711 293083715 /nfs/dbraw/zinc/08/37/15/293083715.db2.gz ZSKVJMKIVZOMLN-UHFFFAOYSA-N 1 0 344.415 2.818 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129046369 293122782 /nfs/dbraw/zinc/12/27/82/293122782.db2.gz JHLUOWWLNFSIFC-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129381223 293132477 /nfs/dbraw/zinc/13/24/77/293132477.db2.gz NDYJHEOUMAVMMF-OAHLLOKOSA-N 1 0 344.415 2.561 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000130368395 293163276 /nfs/dbraw/zinc/16/32/76/293163276.db2.gz FPDADWFUYDDANY-TZMCWYRMSA-N 1 0 346.431 2.754 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000132324938 293223929 /nfs/dbraw/zinc/22/39/29/293223929.db2.gz MILFLDMESFWNGG-NSHDSACASA-N 1 0 337.445 2.919 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152609046 293341688 /nfs/dbraw/zinc/34/16/88/293341688.db2.gz IHUMKWSBWUCVFA-OAHLLOKOSA-N 1 0 332.429 2.981 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C2CC2)c1 ZINC000153300830 293369984 /nfs/dbraw/zinc/36/99/84/293369984.db2.gz SRLYOWZSUSGFKK-QGZVFWFLSA-N 1 0 346.383 2.730 20 5 EFBDRO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000153850773 293397374 /nfs/dbraw/zinc/39/73/74/293397374.db2.gz DFYITYBFZZANIC-AWEZNQCLSA-N 1 0 325.796 2.660 20 5 EFBDRO CCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000156975296 293529731 /nfs/dbraw/zinc/52/97/31/293529731.db2.gz CPGUVYCDGPNTDJ-UHFFFAOYSA-N 1 0 329.347 2.724 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246041491 293651335 /nfs/dbraw/zinc/65/13/35/293651335.db2.gz NYIHFTOFASGZJN-IKGGRYGDSA-N 1 0 349.431 2.661 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290204060 294026534 /nfs/dbraw/zinc/02/65/34/294026534.db2.gz RPRIGGHGVKEPHE-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO CCOCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290224674 294031834 /nfs/dbraw/zinc/03/18/34/294031834.db2.gz IFKXCPOUQAEIRK-CYBMUJFWSA-N 1 0 337.420 2.964 20 5 EFBDRO O=C([C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000290557508 294119566 /nfs/dbraw/zinc/11/95/66/294119566.db2.gz SCNIJEPIRZNGCQ-YERXGYGTSA-N 1 0 329.400 2.552 20 5 EFBDRO Cn1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000345299384 294151469 /nfs/dbraw/zinc/15/14/69/294151469.db2.gz INPLLBWGZIMZMG-OAHLLOKOSA-N 1 0 342.399 2.500 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000290701090 294161748 /nfs/dbraw/zinc/16/17/48/294161748.db2.gz KPNZLFHAQRMHGM-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000290920374 294220574 /nfs/dbraw/zinc/22/05/74/294220574.db2.gz IFQKSFFSSLQBDH-PXAZEXFGSA-N 1 0 342.399 2.797 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000291366240 294360253 /nfs/dbraw/zinc/36/02/53/294360253.db2.gz ZFQVRRJWDNWFFA-CQSZACIVSA-N 1 0 336.436 2.507 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000292045001 294561739 /nfs/dbraw/zinc/56/17/39/294561739.db2.gz IPJUOTUGOKAIEL-CQSZACIVSA-N 1 0 348.447 2.832 20 5 EFBDRO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+](C)C ZINC000292392837 294668271 /nfs/dbraw/zinc/66/82/71/294668271.db2.gz NRRYONSHUXGCOP-NSHDSACASA-N 1 0 348.428 2.646 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000293012473 294853049 /nfs/dbraw/zinc/85/30/49/294853049.db2.gz JZBAWDKPVPKMHR-OAHLLOKOSA-N 1 0 346.387 2.532 20 5 EFBDRO COc1cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])cc1F ZINC000293241528 294918331 /nfs/dbraw/zinc/91/83/31/294918331.db2.gz YZAXRTTUHCWJSF-OAHLLOKOSA-N 1 0 326.368 2.629 20 5 EFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293577875 295003605 /nfs/dbraw/zinc/00/36/05/295003605.db2.gz JOEZUAPKATWFPL-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C[NH+](C)C ZINC000293700863 295031097 /nfs/dbraw/zinc/03/10/97/295031097.db2.gz ILTYJVQPULOSRZ-ZDUSSCGKSA-N 1 0 342.399 2.584 20 5 EFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000293720017 295035775 /nfs/dbraw/zinc/03/57/75/295035775.db2.gz PKRVEPGSAIDUNC-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000293753553 295042389 /nfs/dbraw/zinc/04/23/89/295042389.db2.gz MKBRZQSYMRIPEG-QMMMGPOBSA-N 1 0 334.203 2.829 20 5 EFBDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293801288 295052739 /nfs/dbraw/zinc/05/27/39/295052739.db2.gz RDUAJEHETKXYST-LBPRGKRZSA-N 1 0 342.399 2.778 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000293841765 295061747 /nfs/dbraw/zinc/06/17/47/295061747.db2.gz XUOZJKSFPIJXSM-MRXNPFEDSA-N 1 0 329.404 2.668 20 5 EFBDRO COc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000293982942 295092530 /nfs/dbraw/zinc/09/25/30/295092530.db2.gz RRYLAFIGGQBZGI-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016160 295098418 /nfs/dbraw/zinc/09/84/18/295098418.db2.gz DNUIYTRUNQZZPE-CRFBAAHOSA-N 1 0 341.411 2.994 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294190246 295125294 /nfs/dbraw/zinc/12/52/94/295125294.db2.gz PLUHURGOMNMOHX-LJQANCHMSA-N 1 0 345.443 2.817 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215255 295129322 /nfs/dbraw/zinc/12/93/22/295129322.db2.gz QTQCZRMTUQDEAS-DVBCCOPCSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294293147 295142471 /nfs/dbraw/zinc/14/24/71/295142471.db2.gz FZTUVEKAEHYWPS-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294329722 295148557 /nfs/dbraw/zinc/14/85/57/295148557.db2.gz DUCYGBMMTFUIDE-INIZCTEOSA-N 1 0 333.432 2.603 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N+](=O)[O-] ZINC000294491255 295175279 /nfs/dbraw/zinc/17/52/79/295175279.db2.gz RJQQZNTVSHIUDT-CYBMUJFWSA-N 1 0 339.461 2.837 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294733777 295217302 /nfs/dbraw/zinc/21/73/02/295217302.db2.gz XMKFNOJVHWUCJP-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294733778 295217331 /nfs/dbraw/zinc/21/73/31/295217331.db2.gz XMKFNOJVHWUCJP-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070171308 295240527 /nfs/dbraw/zinc/24/05/27/295240527.db2.gz HAHLEUDZLHZWEZ-SNVBAGLBSA-N 1 0 328.210 2.923 20 5 EFBDRO Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294939233 295248579 /nfs/dbraw/zinc/24/85/79/295248579.db2.gz JOKLWZUOESBHAP-SWLSCSKDSA-N 1 0 327.388 2.626 20 5 EFBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000294995823 295255606 /nfs/dbraw/zinc/25/56/06/295255606.db2.gz VEAZODJPRNUTGT-UHFFFAOYSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295010727 295257307 /nfs/dbraw/zinc/25/73/07/295257307.db2.gz CRTMIEORZWNWAC-NVXWUHKLSA-N 1 0 347.459 2.991 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295048595 295261634 /nfs/dbraw/zinc/26/16/34/295261634.db2.gz FMWIWOIVAJZHPX-FICVDOATSA-N 1 0 333.388 2.550 20 5 EFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295085533 295266242 /nfs/dbraw/zinc/26/62/42/295266242.db2.gz BKYGEZZKRWAOCX-UONOGXRCSA-N 1 0 343.358 2.515 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295105672 295269053 /nfs/dbraw/zinc/26/90/53/295269053.db2.gz KXXYOBBLLDYMRG-SFHVURJKSA-N 1 0 344.415 2.854 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CF)CC1 ZINC000295191479 295280236 /nfs/dbraw/zinc/28/02/36/295280236.db2.gz TWCHRJURJYYFFI-UHFFFAOYSA-N 1 0 339.367 2.614 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295219143 295284027 /nfs/dbraw/zinc/28/40/27/295284027.db2.gz AGWZKMGATMKRHX-GFCCVEGCSA-N 1 0 342.399 2.632 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000295239351 295286680 /nfs/dbraw/zinc/28/66/80/295286680.db2.gz OUQONKGQPZCIER-CYBMUJFWSA-N 1 0 337.420 2.528 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000295400174 295313558 /nfs/dbraw/zinc/31/35/58/295313558.db2.gz RIQFAUASVVGSSO-GFCCVEGCSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295412767 295315854 /nfs/dbraw/zinc/31/58/54/295315854.db2.gz UMFHQMSLIOQXIW-ZBFHGGJFSA-N 1 0 333.432 2.601 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295467106 295325649 /nfs/dbraw/zinc/32/56/49/295325649.db2.gz YZDORSYJWUSJOX-NEPJUHHUSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000295518524 295334340 /nfs/dbraw/zinc/33/43/40/295334340.db2.gz IHWLIPFZRNSTEN-HNNXBMFYSA-N 1 0 333.432 2.751 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000295688035 295360854 /nfs/dbraw/zinc/36/08/54/295360854.db2.gz LNJQSTMWHKWACL-UHFFFAOYSA-N 1 0 331.372 2.740 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000295691200 295361280 /nfs/dbraw/zinc/36/12/80/295361280.db2.gz WOZABWJRPSZQJX-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295697807 295362594 /nfs/dbraw/zinc/36/25/94/295362594.db2.gz NVTYYPBNMFDSRQ-MDDUGHTDSA-N 1 0 329.400 2.551 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295700831 295363237 /nfs/dbraw/zinc/36/32/37/295363237.db2.gz PWHLMWNGIBDLCR-NSHDSACASA-N 1 0 325.796 2.580 20 5 EFBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295714645 295364688 /nfs/dbraw/zinc/36/46/88/295364688.db2.gz SJVAWVCMFTZLRR-UKRRQHHQSA-N 1 0 327.388 2.768 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000295816006 295380509 /nfs/dbraw/zinc/38/05/09/295380509.db2.gz BOSQATRJIWLWHI-JKSUJKDBSA-N 1 0 347.415 2.861 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009095 295411133 /nfs/dbraw/zinc/41/11/33/295411133.db2.gz MLUAKFWHSGLCDC-NZVBXONLSA-N 1 0 346.387 2.794 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229065 295444691 /nfs/dbraw/zinc/44/46/91/295444691.db2.gz WMEGOXOYPHAHOS-OLZOCXBDSA-N 1 0 345.403 2.797 20 5 EFBDRO C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296280100 295452000 /nfs/dbraw/zinc/45/20/00/295452000.db2.gz IYHHTIAKSNCCKO-AWEZNQCLSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159765120 302217155 /nfs/dbraw/zinc/21/71/55/302217155.db2.gz UCYBWAZOEWMVOB-QGZVFWFLSA-N 1 0 327.384 2.902 20 5 EFBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423177519 303003991 /nfs/dbraw/zinc/00/39/91/303003991.db2.gz IZGPQWDVERWTCU-MRXNPFEDSA-N 1 0 343.431 2.669 20 5 EFBDRO C[NH+](C)CC(C)(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000308610643 311227963 /nfs/dbraw/zinc/22/79/63/311227963.db2.gz WXRMMZXFPHNGRP-UHFFFAOYSA-N 1 0 330.226 2.787 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179875880 310792637 /nfs/dbraw/zinc/79/26/37/310792637.db2.gz ZRJUHHBNTQIGPL-SNVBAGLBSA-N 1 0 341.795 2.591 20 5 EFBDRO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296425247 310818227 /nfs/dbraw/zinc/81/82/27/310818227.db2.gz STVSGJXVPVDXBZ-CYBMUJFWSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296468401 310823480 /nfs/dbraw/zinc/82/34/80/310823480.db2.gz XSLMDVWLZKWVGI-XYPHTWIQSA-N 1 0 347.415 2.635 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000296604275 310829242 /nfs/dbraw/zinc/82/92/42/310829242.db2.gz HRXZIOHDBBEIRC-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO Cc1nc(NCc2ccc(OCCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000297113859 310854316 /nfs/dbraw/zinc/85/43/16/310854316.db2.gz LWELGUYWQJREDP-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297224706 310867987 /nfs/dbraw/zinc/86/79/87/310867987.db2.gz HKHUYAUSGSFQKQ-DNOWBOINSA-N 1 0 340.445 2.849 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccc(F)cc1 ZINC000297235828 310869526 /nfs/dbraw/zinc/86/95/26/310869526.db2.gz PHQNPQBZAKMJRM-SJORKVTESA-N 1 0 343.358 2.691 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297324644 310881186 /nfs/dbraw/zinc/88/11/86/310881186.db2.gz ZMLMHTDVADWOFF-CMDGGOBGSA-N 1 0 329.400 2.741 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298628716 311009230 /nfs/dbraw/zinc/00/92/30/311009230.db2.gz VQZIQGAITVQOEQ-KRWDZBQOSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)CC1(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000298735821 311019124 /nfs/dbraw/zinc/01/91/24/311019124.db2.gz SVKJQDGTRRDNMM-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccsc1 ZINC000298914400 311034336 /nfs/dbraw/zinc/03/43/36/311034336.db2.gz FNPMWRJDUCYLKE-ZDUSSCGKSA-N 1 0 336.417 2.797 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298958540 311037685 /nfs/dbraw/zinc/03/76/85/311037685.db2.gz DPZYXQHFWIBSEA-UONOGXRCSA-N 1 0 329.356 2.698 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000299001887 311041057 /nfs/dbraw/zinc/04/10/57/311041057.db2.gz OYYSYQUQNMCGOL-LBPRGKRZSA-N 1 0 337.376 2.828 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000299055051 311046185 /nfs/dbraw/zinc/04/61/85/311046185.db2.gz TUNBGDLYXZJSRS-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299057459 311046306 /nfs/dbraw/zinc/04/63/06/311046306.db2.gz PXAAAZCPGSDDAW-UHFFFAOYSA-N 1 0 330.388 2.693 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299078650 311048561 /nfs/dbraw/zinc/04/85/61/311048561.db2.gz RZVITSDPJVJGPZ-IAGOWNOFSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299078654 311048604 /nfs/dbraw/zinc/04/86/04/311048604.db2.gz RZVITSDPJVJGPZ-IRXDYDNUSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299137193 311055031 /nfs/dbraw/zinc/05/50/31/311055031.db2.gz SNQHWSXLHQSFOM-KFWWJZLASA-N 1 0 333.432 2.620 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000299169693 311058453 /nfs/dbraw/zinc/05/84/53/311058453.db2.gz SGOYEBYZTJYDLV-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000299261207 311066400 /nfs/dbraw/zinc/06/64/00/311066400.db2.gz TXSZTUDTIOYPDM-HNNXBMFYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299260168 311066577 /nfs/dbraw/zinc/06/65/77/311066577.db2.gz BKXKXFMNTWJMDU-UHFFFAOYSA-N 1 0 344.415 2.560 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000299282133 311068772 /nfs/dbraw/zinc/06/87/72/311068772.db2.gz CMEKPUUPUFQBRM-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[NH+]1CCCCC1 ZINC000299374050 311078002 /nfs/dbraw/zinc/07/80/02/311078002.db2.gz ZPDIIWSHAZKXMF-UHFFFAOYSA-N 1 0 344.415 2.542 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299524789 311093339 /nfs/dbraw/zinc/09/33/39/311093339.db2.gz LVCNRGXIMFLFII-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000299585253 311099635 /nfs/dbraw/zinc/09/96/35/311099635.db2.gz HWWDFCWTBVFQRT-HNNXBMFYSA-N 1 0 343.383 2.637 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299689174 311111288 /nfs/dbraw/zinc/11/12/88/311111288.db2.gz SQXPSDYGRSRQNF-UHFFFAOYSA-N 1 0 332.404 2.928 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301085847 311118118 /nfs/dbraw/zinc/11/81/18/311118118.db2.gz XGZIDRWLNYWSIJ-LBPRGKRZSA-N 1 0 345.403 2.920 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301093089 311118382 /nfs/dbraw/zinc/11/83/82/311118382.db2.gz LVGDLQGDPJCHOJ-NSHDSACASA-N 1 0 331.376 2.530 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301187585 311123558 /nfs/dbraw/zinc/12/35/58/311123558.db2.gz KSJCMXFDPMGYEB-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1nn(C)c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000301274055 311128419 /nfs/dbraw/zinc/12/84/19/311128419.db2.gz KLGDVQDLFVEBDG-HIFRSBDPSA-N 1 0 335.452 2.728 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000301304151 311130494 /nfs/dbraw/zinc/13/04/94/311130494.db2.gz XDTDHTWGPCJKLA-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301458583 311138452 /nfs/dbraw/zinc/13/84/52/311138452.db2.gz IJOSFCFXXUITND-CQSZACIVSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301483985 311140022 /nfs/dbraw/zinc/14/00/22/311140022.db2.gz UZAHWOBOXBCDSV-UHFFFAOYSA-N 1 0 341.839 2.840 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301502083 311141143 /nfs/dbraw/zinc/14/11/43/311141143.db2.gz FIEIEGUGBCJWQS-ZDUSSCGKSA-N 1 0 340.855 2.995 20 5 EFBDRO CCOc1cc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301532525 311142901 /nfs/dbraw/zinc/14/29/01/311142901.db2.gz PYESHHWUDDWHMG-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301547857 311143664 /nfs/dbraw/zinc/14/36/64/311143664.db2.gz PPFHFADMKDYCPP-MRXNPFEDSA-N 1 0 344.415 2.648 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301583827 311145884 /nfs/dbraw/zinc/14/58/84/311145884.db2.gz OHZDLNSMJFNFAC-WDEREUQCSA-N 1 0 331.376 2.528 20 5 EFBDRO Cc1cc(NCC2(C[NH+]3CCOCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301591013 311146378 /nfs/dbraw/zinc/14/63/78/311146378.db2.gz TYGWCGDXUSAYCZ-UHFFFAOYSA-N 1 0 348.447 2.993 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301602322 311147151 /nfs/dbraw/zinc/14/71/51/311147151.db2.gz WEXLOSZYOMRJHN-STQMWFEESA-N 1 0 348.403 2.836 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000301678405 311152010 /nfs/dbraw/zinc/15/20/10/311152010.db2.gz INPUIGMWKCTRHV-LLVKDONJSA-N 1 0 329.198 2.504 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301714239 311154399 /nfs/dbraw/zinc/15/43/99/311154399.db2.gz ZGFVKDSMVIJOOD-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000301742152 311155854 /nfs/dbraw/zinc/15/58/54/311155854.db2.gz YMHZHHKJEFBSLY-CYBMUJFWSA-N 1 0 325.796 2.913 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000301768502 311157369 /nfs/dbraw/zinc/15/73/69/311157369.db2.gz DVISUMVPCBGZII-HNNXBMFYSA-N 1 0 348.447 2.877 20 5 EFBDRO COc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301884174 311164505 /nfs/dbraw/zinc/16/45/05/311164505.db2.gz YOPHWZDKZAMDHG-TXEJJXNPSA-N 1 0 341.383 2.654 20 5 EFBDRO Cc1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301887318 311164903 /nfs/dbraw/zinc/16/49/03/311164903.db2.gz QQLWKKPAHZTKHF-IRXDYDNUSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301887317 311164932 /nfs/dbraw/zinc/16/49/32/311164932.db2.gz QQLWKKPAHZTKHF-IAGOWNOFSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301887319 311165034 /nfs/dbraw/zinc/16/50/34/311165034.db2.gz QQLWKKPAHZTKHF-SJORKVTESA-N 1 0 341.411 2.951 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301911184 311166348 /nfs/dbraw/zinc/16/63/48/311166348.db2.gz BLCUHWHDOLZTKV-ZDUSSCGKSA-N 1 0 332.408 2.560 20 5 EFBDRO Cc1cc(N[C@@H](C)[C@@H](C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212664 311185033 /nfs/dbraw/zinc/18/50/33/311185033.db2.gz YYDQZYBDNUARCZ-UONOGXRCSA-N 1 0 344.415 2.973 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000302782089 311200897 /nfs/dbraw/zinc/20/08/97/311200897.db2.gz SFERYBUIEQOEMN-QWRGUYRKSA-N 1 0 347.337 2.505 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000304736920 311213187 /nfs/dbraw/zinc/21/31/87/311213187.db2.gz AGJMNGBKKZGDBD-SFHVURJKSA-N 1 0 344.415 2.553 20 5 EFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000305103162 311215668 /nfs/dbraw/zinc/21/56/68/311215668.db2.gz BYVQJOHWSUCVJL-GDZNZVCISA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000305149549 311217629 /nfs/dbraw/zinc/21/76/29/311217629.db2.gz OFVRJSXEHRZKJA-CQSZACIVSA-N 1 0 348.321 2.609 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc([N+](=O)[O-])cc1 ZINC000324167381 311241014 /nfs/dbraw/zinc/24/10/14/311241014.db2.gz FGMWJMYAUVCRBD-LRDDRELGSA-N 1 0 330.388 2.512 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000325452832 311243115 /nfs/dbraw/zinc/24/31/15/311243115.db2.gz YBNWKCZTZFSUCJ-FPLPWBNLSA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325645746 311243299 /nfs/dbraw/zinc/24/32/99/311243299.db2.gz XJRCYPTUJRREGT-YVEFUNNKSA-N 1 0 325.368 2.659 20 5 EFBDRO C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000325645744 311243332 /nfs/dbraw/zinc/24/33/32/311243332.db2.gz XJRCYPTUJRREGT-SJCJKPOMSA-N 1 0 325.368 2.659 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326624358 311244325 /nfs/dbraw/zinc/24/43/25/311244325.db2.gz NYZNSIVKAJNKIP-PLNGDYQASA-N 1 0 329.400 2.600 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326611998 311244418 /nfs/dbraw/zinc/24/44/18/311244418.db2.gz JWSJQVLQVRLBOC-ZZXKWVIFSA-N 1 0 329.400 2.600 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000330546074 311321435 /nfs/dbraw/zinc/32/14/35/311321435.db2.gz CCQCWKFZTFRWJO-QWHCGFSZSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330548580 311321652 /nfs/dbraw/zinc/32/16/52/311321652.db2.gz DCACZLYIZXTYNG-UHFFFAOYSA-N 1 0 325.434 2.850 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000330562349 311322058 /nfs/dbraw/zinc/32/20/58/311322058.db2.gz JHWLNNPZUPIOBR-STQMWFEESA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000330573772 311322501 /nfs/dbraw/zinc/32/25/01/311322501.db2.gz NOFJQHDMXFCJRT-CHWSQXEVSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330596883 311323760 /nfs/dbraw/zinc/32/37/60/311323760.db2.gz VUYYCCVOWSVBCQ-TUAOUCFPSA-N 1 0 325.434 2.753 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000330802507 311335709 /nfs/dbraw/zinc/33/57/09/311335709.db2.gz AUUYQBIZJUHOHC-OKILXGFUSA-N 1 0 348.447 2.646 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330860745 311339344 /nfs/dbraw/zinc/33/93/44/311339344.db2.gz PPSZHQLRSPKCIP-ZDUSSCGKSA-N 1 0 337.395 2.638 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000330859107 311339362 /nfs/dbraw/zinc/33/93/62/311339362.db2.gz JXZPCRBWXCRDBI-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330897760 311342327 /nfs/dbraw/zinc/34/23/27/311342327.db2.gz HVBTUVJEXSYZDS-AVGNSLFASA-N 1 0 337.445 2.674 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000331002076 311348095 /nfs/dbraw/zinc/34/80/95/311348095.db2.gz QVOWLZUMQUQXIG-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000330998977 311348173 /nfs/dbraw/zinc/34/81/73/311348173.db2.gz PRCZUYIQIFHGAO-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331052194 311351039 /nfs/dbraw/zinc/35/10/39/311351039.db2.gz MHZXQUDWAQSTQR-CYBMUJFWSA-N 1 0 335.404 2.731 20 5 EFBDRO CSc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331163823 311358133 /nfs/dbraw/zinc/35/81/33/311358133.db2.gz RTTPAVKHLHWPST-AWEZNQCLSA-N 1 0 337.445 2.729 20 5 EFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270440 311364077 /nfs/dbraw/zinc/36/40/77/311364077.db2.gz ANNZPXKRPXYMJC-JMSVASOKSA-N 1 0 346.387 2.626 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331277138 311364371 /nfs/dbraw/zinc/36/43/71/311364371.db2.gz FWYUMPLVEJJIGU-QEORTHHSSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331291911 311365372 /nfs/dbraw/zinc/36/53/72/311365372.db2.gz PQUOUDKGBPXLEQ-DXCKQFNASA-N 1 0 349.431 2.713 20 5 EFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299644 311365883 /nfs/dbraw/zinc/36/58/83/311365883.db2.gz VPLMWSGKFDJERT-TYNCELHUSA-N 1 0 346.387 2.626 20 5 EFBDRO COc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000331414627 311375260 /nfs/dbraw/zinc/37/52/60/311375260.db2.gz DCOBJHAUJJXDRD-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000331470611 311380671 /nfs/dbraw/zinc/38/06/71/311380671.db2.gz OONPFNOUPBRQEP-TUKIKUTGSA-N 1 0 332.408 2.527 20 5 EFBDRO Cc1noc(C)c1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331520518 311385576 /nfs/dbraw/zinc/38/55/76/311385576.db2.gz VQKSNOIISFDOOM-GJZGRUSLSA-N 1 0 333.392 2.712 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331594019 311394834 /nfs/dbraw/zinc/39/48/34/311394834.db2.gz BYZSEDJYWRDTBE-CZUORRHYSA-N 1 0 349.456 2.775 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331623392 311398632 /nfs/dbraw/zinc/39/86/32/311398632.db2.gz YCQJIIGNWQXEIU-JSGCOSHPSA-N 1 0 327.388 2.738 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331874265 311429171 /nfs/dbraw/zinc/42/91/71/311429171.db2.gz BWPFCIYXUMUBHR-YDHLFZDLSA-N 1 0 349.406 2.923 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000331991473 311442015 /nfs/dbraw/zinc/44/20/15/311442015.db2.gz XZANBAPXPPGXFL-GDZNZVCISA-N 1 0 349.406 2.923 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000332001113 311443300 /nfs/dbraw/zinc/44/33/00/311443300.db2.gz QXQZERTYCNCSSV-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332083670 311452301 /nfs/dbraw/zinc/45/23/01/311452301.db2.gz PBAZGGIMQLZDIG-LSDHHAIUSA-N 1 0 331.416 2.910 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332230387 311474742 /nfs/dbraw/zinc/47/47/42/311474742.db2.gz DHZCDDNJGSVCSX-RYUDHWBXSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[C@@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332399341 311498978 /nfs/dbraw/zinc/49/89/78/311498978.db2.gz RNAXZFMCLOMHOW-HZPDHXFCSA-N 1 0 333.432 2.922 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411967863 311982350 /nfs/dbraw/zinc/98/23/50/311982350.db2.gz IVFFARVODHIYCE-SJKOYZFVSA-N 1 0 335.404 2.717 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145324 312046504 /nfs/dbraw/zinc/04/65/04/312046504.db2.gz ZQEDBDWCLSFQLD-INIZCTEOSA-N 1 0 344.415 2.648 20 5 EFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000413147078 312046722 /nfs/dbraw/zinc/04/67/22/312046722.db2.gz UXJPZUYBHZBGHY-UHFFFAOYSA-N 1 0 348.325 2.531 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414824803 312054543 /nfs/dbraw/zinc/05/45/43/312054543.db2.gz GAQYFLKHIGJCDV-CYBMUJFWSA-N 1 0 345.399 2.953 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415066233 312087120 /nfs/dbraw/zinc/08/71/20/312087120.db2.gz OFEDOLVCXRKBJB-MRXNPFEDSA-N 1 0 329.400 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415298614 312126920 /nfs/dbraw/zinc/12/69/20/312126920.db2.gz PGSOZHKKNIRRGX-BFHYXJOUSA-N 1 0 332.404 2.721 20 5 EFBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 ZINC000415440253 312139765 /nfs/dbraw/zinc/13/97/65/312139765.db2.gz NVIJYSQPPKKTMO-UHFFFAOYSA-N 1 0 332.282 2.617 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415442046 312139816 /nfs/dbraw/zinc/13/98/16/312139816.db2.gz PPZGCGYKHFLNQP-MRVPVSSYSA-N 1 0 334.298 2.733 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452055 312140875 /nfs/dbraw/zinc/14/08/75/312140875.db2.gz XVLMZJURKBBZPP-SNVBAGLBSA-N 1 0 334.298 2.718 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452679 312140911 /nfs/dbraw/zinc/14/09/11/312140911.db2.gz YSDFAXVYQSPSNU-DTWKUNHWSA-N 1 0 346.309 2.815 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415653202 312162723 /nfs/dbraw/zinc/16/27/23/312162723.db2.gz IAIUBKXAAFPSED-YPMHNXCESA-N 1 0 336.392 2.633 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415653192 312162876 /nfs/dbraw/zinc/16/28/76/312162876.db2.gz IAIUBKXAAFPSED-AAEUAGOBSA-N 1 0 336.392 2.633 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415760051 312169672 /nfs/dbraw/zinc/16/96/72/312169672.db2.gz JOULCKZFPJBRRV-QEJZJMRPSA-N 1 0 332.404 2.748 20 5 EFBDRO C[NH2+]Cc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000415942580 312182354 /nfs/dbraw/zinc/18/23/54/312182354.db2.gz JTQJHUXAPZUUAE-UHFFFAOYSA-N 1 0 340.383 2.904 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417138893 312194719 /nfs/dbraw/zinc/19/47/19/312194719.db2.gz OKVZYSLSQCXFIG-XJKSGUPXSA-N 1 0 346.431 2.687 20 5 EFBDRO COCCCN(C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303914 312206076 /nfs/dbraw/zinc/20/60/76/312206076.db2.gz DUIWTUFGLNECMY-GOSISDBHSA-N 1 0 335.448 2.920 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304779 312206477 /nfs/dbraw/zinc/20/64/77/312206477.db2.gz FOGGAWCMTZAHIT-CRAIPNDOSA-N 1 0 333.432 2.673 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309770 312206890 /nfs/dbraw/zinc/20/68/90/312206890.db2.gz KAPOYHLJOYUMAV-DJIMGWMZSA-N 1 0 331.416 2.867 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN(C3CC3)CCO1)CCCC2 ZINC000417311210 312207328 /nfs/dbraw/zinc/20/73/28/312207328.db2.gz OAELQKGCHJFLKY-PKOBYXMFSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN1CCCO)CCCC2 ZINC000417327020 312209457 /nfs/dbraw/zinc/20/94/57/312209457.db2.gz DLEXYLNHLSGFAX-IEBWSBKVSA-N 1 0 347.459 2.799 20 5 EFBDRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417335805 312210718 /nfs/dbraw/zinc/21/07/18/312210718.db2.gz GSIJSWLCDBEXKM-SJLPKXTDSA-N 1 0 336.432 2.985 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345387 312212181 /nfs/dbraw/zinc/21/21/81/312212181.db2.gz UHQSDYDLTLYDDQ-CXAGYDPISA-N 1 0 331.416 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)CCCC2 ZINC000417349764 312212658 /nfs/dbraw/zinc/21/26/58/312212658.db2.gz MIROQKGFMQRDDH-LPHOPBHVSA-N 1 0 347.459 2.799 20 5 EFBDRO [NH3+]C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000417711340 312260045 /nfs/dbraw/zinc/26/00/45/312260045.db2.gz DIBPSZCBVXHHHD-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417719335 312261068 /nfs/dbraw/zinc/26/10/68/312261068.db2.gz PUEUIGUZNBITTI-KRWDZBQOSA-N 1 0 348.447 2.701 20 5 EFBDRO CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000417729981 312262786 /nfs/dbraw/zinc/26/27/86/312262786.db2.gz QQKKGLAMBWCPFW-KRWDZBQOSA-N 1 0 348.447 2.701 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417758211 312266592 /nfs/dbraw/zinc/26/65/92/312266592.db2.gz CEWKXYUIKUYUAC-UHFFFAOYSA-N 1 0 348.447 2.688 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000417762444 312267415 /nfs/dbraw/zinc/26/74/15/312267415.db2.gz IROPTNBSNVXHPJ-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417844008 312280072 /nfs/dbraw/zinc/28/00/72/312280072.db2.gz HHEFUZAFCMVRLW-JKSUJKDBSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417845507 312280308 /nfs/dbraw/zinc/28/03/08/312280308.db2.gz IOHMUCQTXAUEPL-YDHLFZDLSA-N 1 0 334.420 2.733 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417854916 312282758 /nfs/dbraw/zinc/28/27/58/312282758.db2.gz QPIYFXLLYKHLIL-KCXAZCMYSA-N 1 0 334.420 2.815 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417854918 312282763 /nfs/dbraw/zinc/28/27/63/312282763.db2.gz QPIYFXLLYKHLIL-RCBQFDQVSA-N 1 0 334.420 2.815 20 5 EFBDRO CC[C@@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417859390 312283784 /nfs/dbraw/zinc/28/37/84/312283784.db2.gz WDBSTPPVYKSAOB-GDBMZVCRSA-N 1 0 334.420 2.877 20 5 EFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000417971236 312302784 /nfs/dbraw/zinc/30/27/84/312302784.db2.gz AMDSPICRAFMBOZ-WFASDCNBSA-N 1 0 334.420 2.733 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417990682 312305711 /nfs/dbraw/zinc/30/57/11/312305711.db2.gz MMRHOAOECVSXCQ-LLVKDONJSA-N 1 0 342.827 2.607 20 5 EFBDRO C[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418225892 312350274 /nfs/dbraw/zinc/35/02/74/312350274.db2.gz ABNZWZOYZZOFHM-AWEZNQCLSA-N 1 0 342.399 2.826 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418239064 312352213 /nfs/dbraw/zinc/35/22/13/312352213.db2.gz XZUDEGWOPBUESP-XJKSGUPXSA-N 1 0 346.431 2.687 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CN)C1CCCCC1 ZINC000420354378 312363387 /nfs/dbraw/zinc/36/33/87/312363387.db2.gz BFPPNXDYHGRIOZ-QGZVFWFLSA-N 1 0 348.447 2.729 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420589120 312374198 /nfs/dbraw/zinc/37/41/98/312374198.db2.gz STNREFSHFUPPEG-OKILXGFUSA-N 1 0 348.447 2.864 20 5 EFBDRO Cn1ccnc1[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423478771 312422531 /nfs/dbraw/zinc/42/25/31/312422531.db2.gz LKAGKPKQEIDDMJ-WBVHZDCISA-N 1 0 343.431 2.540 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423515531 312427950 /nfs/dbraw/zinc/42/79/50/312427950.db2.gz ADOCOZZFSHWFGJ-MRXNPFEDSA-N 1 0 335.429 2.532 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000423579207 312434141 /nfs/dbraw/zinc/43/41/41/312434141.db2.gz VWOKINGMJQTZJP-CWRNSKLLSA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423592637 312435812 /nfs/dbraw/zinc/43/58/12/312435812.db2.gz FBCNPJMRKCKLNV-KOLCDFICSA-N 1 0 343.836 2.597 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833296 312466243 /nfs/dbraw/zinc/46/62/43/312466243.db2.gz BHACXJZVFZKPRD-WFASDCNBSA-N 1 0 325.796 2.772 20 5 EFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000423975539 312493003 /nfs/dbraw/zinc/49/30/03/312493003.db2.gz DCYKNIFBBWNWBN-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424044462 312502469 /nfs/dbraw/zinc/50/24/69/312502469.db2.gz RUPQGHANDOLMHH-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424052798 312504012 /nfs/dbraw/zinc/50/40/12/312504012.db2.gz NDPSLLXBHZLAHY-BZPMIXESSA-N 1 0 346.431 2.615 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000424053815 312504487 /nfs/dbraw/zinc/50/44/87/312504487.db2.gz ADODEERBQNVQBE-MDZLAQPJSA-N 1 0 331.372 2.786 20 5 EFBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433143599 312595842 /nfs/dbraw/zinc/59/58/42/312595842.db2.gz ZLJYDAQALVBNFW-IUODEOHRSA-N 1 0 331.372 2.807 20 5 EFBDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144767 312595957 /nfs/dbraw/zinc/59/59/57/312595957.db2.gz NSOICTFJUDVBCN-PBHICJAKSA-N 1 0 336.432 2.940 20 5 EFBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168291 312597358 /nfs/dbraw/zinc/59/73/58/312597358.db2.gz MGIKHNCTDZULCR-CXAGYDPISA-N 1 0 333.432 2.628 20 5 EFBDRO Cc1cccc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453580253 312912364 /nfs/dbraw/zinc/91/23/64/312912364.db2.gz SZOMZBLJAHYYFC-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000453609334 312917465 /nfs/dbraw/zinc/91/74/65/312917465.db2.gz WALFRBCNSBLYEU-UHFFFAOYSA-N 1 0 331.372 2.859 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000453635370 312922477 /nfs/dbraw/zinc/92/24/77/312922477.db2.gz USDPLRAPXISLEK-WBMJQRKESA-N 1 0 330.388 2.652 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000470147114 313129060 /nfs/dbraw/zinc/12/90/60/313129060.db2.gz NDVMOXCGDAYEJR-LXZTZZPZSA-N 1 0 329.400 2.584 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000471229324 313140862 /nfs/dbraw/zinc/14/08/62/313140862.db2.gz WVQUPPFBEDOENS-GOSISDBHSA-N 1 0 349.431 2.763 20 5 EFBDRO CC1CC[NH+](CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000473918382 313202061 /nfs/dbraw/zinc/20/20/61/313202061.db2.gz BWTQGMJKAYQXOH-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO CCOC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000474076292 313204528 /nfs/dbraw/zinc/20/45/28/313204528.db2.gz RRCGATWRUXFRQA-CJNGLKHVSA-N 1 0 337.420 2.963 20 5 EFBDRO COc1c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474875805 313212895 /nfs/dbraw/zinc/21/28/95/313212895.db2.gz CYNMZQPQKQCQBQ-INIZCTEOSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)F)CC1 ZINC000475210510 313219890 /nfs/dbraw/zinc/21/98/90/313219890.db2.gz HIYCJTBHMFNHAT-SNVBAGLBSA-N 1 0 327.331 2.947 20 5 EFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475703712 313225059 /nfs/dbraw/zinc/22/50/59/313225059.db2.gz YAOGKIZRDZEOEM-JSGCOSHPSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000476395998 313232927 /nfs/dbraw/zinc/23/29/27/313232927.db2.gz KBJBCEPFLHZWOT-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1c(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cccc1[N+](=O)[O-] ZINC000479489720 313269448 /nfs/dbraw/zinc/26/94/48/313269448.db2.gz NHZSOKDVKDLOLY-OAHLLOKOSA-N 1 0 347.802 2.743 20 5 EFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC000485413939 313327408 /nfs/dbraw/zinc/32/74/08/313327408.db2.gz WDNZGKLKEICHKF-OKILXGFUSA-N 1 0 342.374 2.794 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486963020 313352110 /nfs/dbraw/zinc/35/21/10/313352110.db2.gz FYSNTWGZBPEKPO-CYBMUJFWSA-N 1 0 345.403 2.813 20 5 EFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000487059138 313361776 /nfs/dbraw/zinc/36/17/76/313361776.db2.gz ISKVRFYNFIMFNS-CYBMUJFWSA-N 1 0 329.347 2.973 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1C[NH+](C)C ZINC000488363629 313477663 /nfs/dbraw/zinc/47/76/63/313477663.db2.gz GGKNSUIPNCSFHC-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491477577 313753311 /nfs/dbraw/zinc/75/33/11/313753311.db2.gz HJEXOZONJPVZDW-XQRVVYSFSA-N 1 0 335.379 2.738 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491870123 313797724 /nfs/dbraw/zinc/79/77/24/313797724.db2.gz NNVRWZOMKYZVQN-XQRVVYSFSA-N 1 0 335.379 2.547 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491936930 313818071 /nfs/dbraw/zinc/81/80/71/313818071.db2.gz HVDSNPAEDAOWJG-PMGBHYCQSA-N 1 0 335.379 2.690 20 5 EFBDRO C[NH+](C)CC1(NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000492617932 314059332 /nfs/dbraw/zinc/05/93/32/314059332.db2.gz NQVKMQLLEGRFGW-ALCCZGGFSA-N 1 0 337.807 2.862 20 5 EFBDRO CCOc1cc(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)ccc1[N+](=O)[O-] ZINC000492693960 314088743 /nfs/dbraw/zinc/08/87/43/314088743.db2.gz AUQRBEYJVDCUKI-LBPRGKRZSA-N 1 0 336.388 2.767 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000492803914 314132440 /nfs/dbraw/zinc/13/24/40/314132440.db2.gz WASZIXUZIDILLL-XVJNWHFHSA-N 1 0 343.427 2.941 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492920869 314177782 /nfs/dbraw/zinc/17/77/82/314177782.db2.gz KIQDGGPMQLZSGG-UQXCZLMFSA-N 1 0 347.390 2.832 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000492922255 314178041 /nfs/dbraw/zinc/17/80/41/314178041.db2.gz MXXFZJISGOHCRB-VJONKGRXSA-N 1 0 343.427 2.797 20 5 EFBDRO Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000492927949 314181345 /nfs/dbraw/zinc/18/13/45/314181345.db2.gz SGGXLYNMFMZHDA-BIENSFFJSA-N 1 0 344.346 2.748 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492991716 314203906 /nfs/dbraw/zinc/20/39/06/314203906.db2.gz HQDISXSFYNFIEV-XQRVVYSFSA-N 1 0 349.406 2.985 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492991715 314204020 /nfs/dbraw/zinc/20/40/20/314204020.db2.gz HQDISXSFYNFIEV-GQCTYLIASA-N 1 0 349.406 2.985 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000493046049 314222076 /nfs/dbraw/zinc/22/20/76/314222076.db2.gz DBLVTFSQKHBCFP-XJKSGUPXSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493109325 314242806 /nfs/dbraw/zinc/24/28/06/314242806.db2.gz ZLGKQLNKDKHPDP-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493110318 314243614 /nfs/dbraw/zinc/24/36/14/314243614.db2.gz ZUELRWHOSGKYCR-ZEVQVBBLSA-N 1 0 343.427 2.845 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000493135995 314253719 /nfs/dbraw/zinc/25/37/19/314253719.db2.gz XOWUVJJQBSRPSY-CQSZACIVSA-N 1 0 348.447 2.947 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000493170123 314264658 /nfs/dbraw/zinc/26/46/58/314264658.db2.gz XEIKCOPDEYEYAA-MTIYJEKLSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000493329928 314318317 /nfs/dbraw/zinc/31/83/17/314318317.db2.gz XJYQAAZLKWKFBB-QHHAFSJGSA-N 1 0 347.390 2.738 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493353354 314326377 /nfs/dbraw/zinc/32/63/77/314326377.db2.gz NTXIKRNMXYAPJB-DDJMYBDESA-N 1 0 335.379 2.690 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493450801 314361179 /nfs/dbraw/zinc/36/11/79/314361179.db2.gz KCTWZMATPAIHOV-UXHZXRBQSA-N 1 0 343.427 2.798 20 5 EFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493494813 314377918 /nfs/dbraw/zinc/37/79/18/314377918.db2.gz AMELSZZUVBANTH-WMZOPIPTSA-N 1 0 345.399 2.933 20 5 EFBDRO CSC1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000493681967 314443200 /nfs/dbraw/zinc/44/32/00/314443200.db2.gz AFMQANRCWRODRM-BQYQJAHWSA-N 1 0 349.456 2.552 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493683465 314443844 /nfs/dbraw/zinc/44/38/44/314443844.db2.gz CELRCFFEMUMCSU-LQPUYASZSA-N 1 0 347.390 2.738 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493862024 314507224 /nfs/dbraw/zinc/50/72/24/314507224.db2.gz YGNNSGIDRCRERT-STKFURGQSA-N 1 0 335.379 2.628 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494026607 314534497 /nfs/dbraw/zinc/53/44/97/314534497.db2.gz JECKSRQNFJEZDA-UHFFFAOYSA-N 1 0 336.436 2.660 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495479704 314729161 /nfs/dbraw/zinc/72/91/61/314729161.db2.gz JAASHGRJLIHBOM-PWSUYJOCSA-N 1 0 327.406 2.613 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495567058 314758914 /nfs/dbraw/zinc/75/89/14/314758914.db2.gz SKVTUXPVYSELOY-YPMHNXCESA-N 1 0 339.367 2.690 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000496668721 315151261 /nfs/dbraw/zinc/15/12/61/315151261.db2.gz SPLXDQFKCLNIFY-LLVKDONJSA-N 1 0 339.367 2.690 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000497515447 315393386 /nfs/dbraw/zinc/39/33/86/315393386.db2.gz MVUMMAWYAPGXDS-OLZOCXBDSA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000498208121 315400767 /nfs/dbraw/zinc/40/07/67/315400767.db2.gz ODYXHBOZPRGHNQ-WMZOPIPTSA-N 1 0 333.432 2.941 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000507387012 315484117 /nfs/dbraw/zinc/48/41/17/315484117.db2.gz RIRCIZRHGBLJND-AWEZNQCLSA-N 1 0 333.432 2.815 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000510910424 315512326 /nfs/dbraw/zinc/51/23/26/315512326.db2.gz BSENGAHUPPKZIT-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514597545 315543423 /nfs/dbraw/zinc/54/34/23/315543423.db2.gz WYVQEFXMDWAFFO-NSHDSACASA-N 1 0 345.321 2.957 20 5 EFBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000514789093 315563034 /nfs/dbraw/zinc/56/30/34/315563034.db2.gz VQKIGDCIBAUZCM-BFHYXJOUSA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515115629 315593083 /nfs/dbraw/zinc/59/30/83/315593083.db2.gz ARMHUXXESXBWIG-KBPBESRZSA-N 1 0 333.432 2.887 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000515176978 315597879 /nfs/dbraw/zinc/59/78/79/315597879.db2.gz BAJQHXUNIJHLTC-KRWDZBQOSA-N 1 0 344.415 2.746 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000515531763 315625704 /nfs/dbraw/zinc/62/57/04/315625704.db2.gz VEMFCOPUWOPRMC-LRDDRELGSA-N 1 0 331.416 2.892 20 5 EFBDRO CNc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515988879 315646901 /nfs/dbraw/zinc/64/69/01/315646901.db2.gz PULAWIINKKAXRZ-UGSOOPFHSA-N 1 0 348.447 2.877 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000518736091 315826116 /nfs/dbraw/zinc/82/61/16/315826116.db2.gz NHNVNUDRNLIVFP-UHFFFAOYSA-N 1 0 334.420 2.657 20 5 EFBDRO O=C(CC[NH2+][C@H]1COc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000519141345 315846499 /nfs/dbraw/zinc/84/64/99/315846499.db2.gz AMIHRBRGNUDPQO-CQSZACIVSA-N 1 0 341.367 2.517 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000521228679 316009433 /nfs/dbraw/zinc/00/94/33/316009433.db2.gz MBTDYRPDGHJYJN-HNNXBMFYSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521862742 316047542 /nfs/dbraw/zinc/04/75/42/316047542.db2.gz JSHDOENIOHDZFG-STQMWFEESA-N 1 0 336.413 2.617 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522187206 316079304 /nfs/dbraw/zinc/07/93/04/316079304.db2.gz XBXIZBUWIRGHGK-UHFFFAOYSA-N 1 0 336.436 2.517 20 5 EFBDRO CNc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522476799 316091966 /nfs/dbraw/zinc/09/19/66/316091966.db2.gz SNLPARIESZUFEH-OAHLLOKOSA-N 1 0 336.436 2.733 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000522744478 316099471 /nfs/dbraw/zinc/09/94/71/316099471.db2.gz YLXYJQYEADSZAI-GFCCVEGCSA-N 1 0 339.823 2.637 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523353056 316118085 /nfs/dbraw/zinc/11/80/85/316118085.db2.gz OBIVGGXGDKKVTL-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO CCc1cc(NCC[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000523863460 316141356 /nfs/dbraw/zinc/14/13/56/316141356.db2.gz UTSYYJUUBJOUKH-UHFFFAOYSA-N 1 0 343.431 2.788 20 5 EFBDRO COc1ccc(OCC[NH+]2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525786402 316237563 /nfs/dbraw/zinc/23/75/63/316237563.db2.gz BAVSNKGTLYDCHZ-VXGBXAGGSA-N 1 0 326.418 2.808 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000530359322 317114404 /nfs/dbraw/zinc/11/44/04/317114404.db2.gz BMZQMWHUFQZIRR-HZPDHXFCSA-N 1 0 329.404 2.811 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)Cc1ccccc1 ZINC000530833226 317183444 /nfs/dbraw/zinc/18/34/44/317183444.db2.gz XVPCGSDETCEOKV-AWEZNQCLSA-N 1 0 344.415 2.574 20 5 EFBDRO CNc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000531151025 317227362 /nfs/dbraw/zinc/22/73/62/317227362.db2.gz UCMCMLVTGZGPRU-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO COC(=O)CCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000531241435 317239956 /nfs/dbraw/zinc/23/99/56/317239956.db2.gz OYNXIWXBBXUFFV-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531729071 317305579 /nfs/dbraw/zinc/30/55/79/317305579.db2.gz SIEIGRSMAUMYOV-MGPQQGTHSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000531736849 317306410 /nfs/dbraw/zinc/30/64/10/317306410.db2.gz GAMSORNTOKBGJL-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000531931488 317334006 /nfs/dbraw/zinc/33/40/06/317334006.db2.gz OMUAXRBRAYHNPC-NVXWUHKLSA-N 1 0 335.448 2.911 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532044984 317346843 /nfs/dbraw/zinc/34/68/43/317346843.db2.gz LWLUPOQIFSUNLA-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000532233738 317372608 /nfs/dbraw/zinc/37/26/08/317372608.db2.gz VGUJMZVLUMPXCI-NILFDRSVSA-N 1 0 335.404 2.715 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000532233736 317373055 /nfs/dbraw/zinc/37/30/55/317373055.db2.gz VGUJMZVLUMPXCI-BYCMXARLSA-N 1 0 335.404 2.715 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534248282 317536628 /nfs/dbraw/zinc/53/66/28/317536628.db2.gz UDNQKOVTHNNNPO-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cn1 ZINC000535785714 317611437 /nfs/dbraw/zinc/61/14/37/317611437.db2.gz BOOTXQAUDMGIJU-WMZOPIPTSA-N 1 0 338.411 2.916 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538376364 317693749 /nfs/dbraw/zinc/69/37/49/317693749.db2.gz WXRSPLJUCYUKMM-RDJZCZTQSA-N 1 0 336.388 2.685 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000539076770 317714688 /nfs/dbraw/zinc/71/46/88/317714688.db2.gz GGVODOBKIRRKRK-GWCFXTLKSA-N 1 0 345.321 2.717 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000541594041 317782429 /nfs/dbraw/zinc/78/24/29/317782429.db2.gz NDGHIVRANSXNKO-RISCZKNCSA-N 1 0 334.376 2.966 20 5 EFBDRO Cn1ccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000546936462 317985259 /nfs/dbraw/zinc/98/52/59/317985259.db2.gz ZYEFUWZUCDDJNS-RHSMWYFYSA-N 1 0 328.416 2.872 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000547798283 318043351 /nfs/dbraw/zinc/04/33/51/318043351.db2.gz WSWLJRXNQFMHNK-QGZVFWFLSA-N 1 0 333.432 2.860 20 5 EFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000547798153 318043359 /nfs/dbraw/zinc/04/33/59/318043359.db2.gz WYTJHBAKCSWSBP-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000547943889 318054614 /nfs/dbraw/zinc/05/46/14/318054614.db2.gz PHUSCFVXFMRTCK-GFCCVEGCSA-N 1 0 337.445 2.777 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000548454783 318109843 /nfs/dbraw/zinc/10/98/43/318109843.db2.gz CDIAPHCGADZHJS-GFCCVEGCSA-N 1 0 325.434 2.911 20 5 EFBDRO C[N@H+](CCC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000548719421 318136022 /nfs/dbraw/zinc/13/60/22/318136022.db2.gz CMYARNYIOIHSRQ-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000548761593 318140774 /nfs/dbraw/zinc/14/07/74/318140774.db2.gz VLSPRAFLDVUKAM-CABCVRRESA-N 1 0 348.447 2.776 20 5 EFBDRO O=C(CC[NH2+]CCc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000548761204 318140779 /nfs/dbraw/zinc/14/07/79/318140779.db2.gz RFFSZCKLYDPBLN-UHFFFAOYSA-N 1 0 331.347 2.895 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000549552626 318177093 /nfs/dbraw/zinc/17/70/93/318177093.db2.gz HLUNGUYEBRWSQM-INIZCTEOSA-N 1 0 341.411 2.967 20 5 EFBDRO O=C(NCc1cnc2n1CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000551795889 318216454 /nfs/dbraw/zinc/21/64/54/318216454.db2.gz JNVQSSLTSWKJII-UHFFFAOYSA-N 1 0 339.355 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000552030986 318238597 /nfs/dbraw/zinc/23/85/97/318238597.db2.gz ZAXAFDJHFNBOJG-CRAIPNDOSA-N 1 0 346.358 2.751 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000552112212 318243110 /nfs/dbraw/zinc/24/31/10/318243110.db2.gz SDKFUOHSFHFRQH-UHFFFAOYSA-N 1 0 348.428 2.645 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000552112697 318243253 /nfs/dbraw/zinc/24/32/53/318243253.db2.gz PZWYXKVNGHRBJP-UHFFFAOYSA-N 1 0 342.399 2.584 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000553448052 318283668 /nfs/dbraw/zinc/28/36/68/318283668.db2.gz MDPKSOSJPHEFHB-RYUDHWBXSA-N 1 0 333.388 2.727 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000553448050 318283696 /nfs/dbraw/zinc/28/36/96/318283696.db2.gz MDPKSOSJPHEFHB-NEPJUHHUSA-N 1 0 333.388 2.727 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553997152 318298662 /nfs/dbraw/zinc/29/86/62/318298662.db2.gz VBCHPPKGEHIOJC-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554113788 318301375 /nfs/dbraw/zinc/30/13/75/318301375.db2.gz XKLNIDURGLVNNL-BORJPKMPSA-N 1 0 345.443 2.887 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554113790 318301474 /nfs/dbraw/zinc/30/14/74/318301474.db2.gz XKLNIDURGLVNNL-OIPACUDHSA-N 1 0 345.443 2.887 20 5 EFBDRO Cc1ccc(OCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000554527247 318320948 /nfs/dbraw/zinc/32/09/48/318320948.db2.gz RUDJVWUGHQPZMZ-UHFFFAOYSA-N 1 0 343.383 2.900 20 5 EFBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554831198 318337587 /nfs/dbraw/zinc/33/75/87/318337587.db2.gz BNEHKVOAXCKERC-QAPCUYQASA-N 1 0 344.411 2.864 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000558743743 318491035 /nfs/dbraw/zinc/49/10/35/318491035.db2.gz ZTPLCJUIJQTUHD-HNNXBMFYSA-N 1 0 334.420 2.920 20 5 EFBDRO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000559350590 318510478 /nfs/dbraw/zinc/51/04/78/318510478.db2.gz REUFTQJEXZUVQC-ZDUSSCGKSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562300319 318632416 /nfs/dbraw/zinc/63/24/16/318632416.db2.gz KFEWPJKDSSJQKI-PBHICJAKSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccccn1 ZINC000562592736 318668411 /nfs/dbraw/zinc/66/84/11/318668411.db2.gz VFRMHGUTZCBHLN-MRXNPFEDSA-N 1 0 340.383 2.986 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000563618649 318804043 /nfs/dbraw/zinc/80/40/43/318804043.db2.gz ZNWSMCRQDYHGLL-LLVKDONJSA-N 1 0 327.331 2.948 20 5 EFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564650823 318877631 /nfs/dbraw/zinc/87/76/31/318877631.db2.gz DQBHXIFHRDQGEK-UHFFFAOYSA-N 1 0 340.445 2.784 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c1 ZINC000564652251 318878060 /nfs/dbraw/zinc/87/80/60/318878060.db2.gz WFPQEHQZVWOHNC-QANKJYHBSA-N 1 0 346.358 2.619 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000564792530 318892092 /nfs/dbraw/zinc/89/20/92/318892092.db2.gz JTGNEGZWEVFIJS-YJBOKZPZSA-N 1 0 346.358 2.751 20 5 EFBDRO CS[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000564873086 318903837 /nfs/dbraw/zinc/90/38/37/318903837.db2.gz KXJUZRAJTBFMBX-DZGCQCFKSA-N 1 0 342.461 2.702 20 5 EFBDRO CC(C)Oc1nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000565226888 318949148 /nfs/dbraw/zinc/94/91/48/318949148.db2.gz RPWPDLXYWCYISD-UONOGXRCSA-N 1 0 334.420 2.840 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCn2ccnc2)n1 ZINC000565755278 318998482 /nfs/dbraw/zinc/99/84/82/318998482.db2.gz ISSXOKHJOJEKHR-CABCVRRESA-N 1 0 332.408 2.542 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000565828524 319006337 /nfs/dbraw/zinc/00/63/37/319006337.db2.gz TUZZFKGSDAEOML-HTWSVDAQSA-N 1 0 342.395 2.870 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566007120 319022862 /nfs/dbraw/zinc/02/28/62/319022862.db2.gz GQKGFKIIXMTVPW-CABCVRRESA-N 1 0 347.415 2.733 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000566103717 319032749 /nfs/dbraw/zinc/03/27/49/319032749.db2.gz HTJKYQJXJCFLDV-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000566112555 319034301 /nfs/dbraw/zinc/03/43/01/319034301.db2.gz PMSISDYFFQMSJS-UHFFFAOYSA-N 1 0 340.445 2.929 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000566120706 319035925 /nfs/dbraw/zinc/03/59/25/319035925.db2.gz OVRPFMNIQIQMID-QGPMSJSTSA-N 1 0 334.416 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000566476049 319082146 /nfs/dbraw/zinc/08/21/46/319082146.db2.gz SGIZUQFWXPONFO-SUMWQHHRSA-N 1 0 346.358 2.751 20 5 EFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000566542156 319087310 /nfs/dbraw/zinc/08/73/10/319087310.db2.gz DWROJTKGVVCDOB-HUUCEWRRSA-N 1 0 332.408 2.529 20 5 EFBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000567161107 319143897 /nfs/dbraw/zinc/14/38/97/319143897.db2.gz MGGNPLOJIWNPFX-NSHDSACASA-N 1 0 335.326 2.608 20 5 EFBDRO CC(C)OCC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567379447 319165928 /nfs/dbraw/zinc/16/59/28/319165928.db2.gz GDJTVSMEXZMZLT-CQSZACIVSA-N 1 0 330.812 2.556 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3occc32)c1 ZINC000567464491 319174012 /nfs/dbraw/zinc/17/40/12/319174012.db2.gz VRIJEAXNUJEHMH-BBRMVZONSA-N 1 0 332.356 2.595 20 5 EFBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567891843 319222502 /nfs/dbraw/zinc/22/25/02/319222502.db2.gz WJUXOCKWKLJNDF-QGZVFWFLSA-N 1 0 343.383 2.901 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568390429 319279606 /nfs/dbraw/zinc/27/96/06/319279606.db2.gz MUTRUIITOKUGCE-DYVFJYSZSA-N 1 0 339.395 2.967 20 5 EFBDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000568589264 319297093 /nfs/dbraw/zinc/29/70/93/319297093.db2.gz CLCNOMZDWUXESN-LSDHHAIUSA-N 1 0 344.419 2.526 20 5 EFBDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000569095557 319347904 /nfs/dbraw/zinc/34/79/04/319347904.db2.gz SGOWXFAIYIOKQZ-HNNXBMFYSA-N 1 0 348.424 2.846 20 5 EFBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000569110012 319349376 /nfs/dbraw/zinc/34/93/76/319349376.db2.gz CLQCDYFULDMLQB-XJKSGUPXSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000569352057 319372857 /nfs/dbraw/zinc/37/28/57/319372857.db2.gz DGRQFUYALKUFLD-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000570081963 319442737 /nfs/dbraw/zinc/44/27/37/319442737.db2.gz ABRDDUMMBJVVRS-ULQDDVLXSA-N 1 0 342.395 2.728 20 5 EFBDRO [NH3+][C@H](CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000570321453 319464968 /nfs/dbraw/zinc/46/49/68/319464968.db2.gz FODHUPPCFPTDBW-OAHLLOKOSA-N 1 0 325.368 2.964 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC000570963805 319530009 /nfs/dbraw/zinc/53/00/09/319530009.db2.gz SKMZSRBLUAJEQZ-JTQLQIEISA-N 1 0 342.804 2.839 20 5 EFBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574150875 319834356 /nfs/dbraw/zinc/83/43/56/319834356.db2.gz HLDMTSLPBHQLLE-UONOGXRCSA-N 1 0 334.372 2.538 20 5 EFBDRO CCc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000574192424 319839641 /nfs/dbraw/zinc/83/96/41/319839641.db2.gz YSFURTBAVQMGGR-GOSISDBHSA-N 1 0 344.411 2.729 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574426695 319862024 /nfs/dbraw/zinc/86/20/24/319862024.db2.gz HXNRZEDASFEZQM-MRXNPFEDSA-N 1 0 348.447 2.872 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000574464655 319865176 /nfs/dbraw/zinc/86/51/76/319865176.db2.gz PFVVLKBKPBLDIF-OAHLLOKOSA-N 1 0 348.447 2.945 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000575127162 319927521 /nfs/dbraw/zinc/92/75/21/319927521.db2.gz WCEUNUZBLFWJLI-JKSUJKDBSA-N 1 0 346.435 2.898 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575355873 319942341 /nfs/dbraw/zinc/94/23/41/319942341.db2.gz MVPFONJSZXZXSA-GXTWGEPZSA-N 1 0 336.413 2.617 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000575450162 319945857 /nfs/dbraw/zinc/94/58/57/319945857.db2.gz STTRBHDZDZATLN-SUMWQHHRSA-N 1 0 348.374 2.867 20 5 EFBDRO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000575867015 319960857 /nfs/dbraw/zinc/96/08/57/319960857.db2.gz CTEXLZVQNXJFLP-KRWDZBQOSA-N 1 0 338.404 2.667 20 5 EFBDRO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000576576401 320028769 /nfs/dbraw/zinc/02/87/69/320028769.db2.gz AXLUXZBXVDGRCF-UHFFFAOYSA-N 1 0 328.372 2.725 20 5 EFBDRO CC(C)Oc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000576597594 320031877 /nfs/dbraw/zinc/03/18/77/320031877.db2.gz WVOKAPXMRKHOOW-ZDUSSCGKSA-N 1 0 334.376 2.507 20 5 EFBDRO Cn1nccc1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000576780524 320047976 /nfs/dbraw/zinc/04/79/76/320047976.db2.gz NUJXMWIGSMWYSE-GFCCVEGCSA-N 1 0 340.387 2.584 20 5 EFBDRO COC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000576981793 320066304 /nfs/dbraw/zinc/06/63/04/320066304.db2.gz RLBHXLILPRAENK-UHFFFAOYSA-N 1 0 335.404 2.862 20 5 EFBDRO C[NH2+]CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000577107182 320077989 /nfs/dbraw/zinc/07/79/89/320077989.db2.gz KJZBXEWBWCDKHK-UHFFFAOYSA-N 1 0 337.323 2.505 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000577628142 320129495 /nfs/dbraw/zinc/12/94/95/320129495.db2.gz RWYVVHKZKCXJQE-JKSUJKDBSA-N 1 0 331.416 2.926 20 5 EFBDRO C=Cc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000578187783 320181437 /nfs/dbraw/zinc/18/14/37/320181437.db2.gz WPWWMZIYJCOJPI-KRWDZBQOSA-N 1 0 342.395 2.810 20 5 EFBDRO COc1ccc(CC(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000578272572 320190083 /nfs/dbraw/zinc/19/00/83/320190083.db2.gz PUNKBAYCTIJBDK-UHFFFAOYSA-N 1 0 349.431 2.528 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000578522158 320214256 /nfs/dbraw/zinc/21/42/56/320214256.db2.gz CNTGAURREHJZPA-MRXNPFEDSA-N 1 0 343.383 2.792 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000578725746 320232804 /nfs/dbraw/zinc/23/28/04/320232804.db2.gz VWOLWCVFKMEGQE-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578731533 320233399 /nfs/dbraw/zinc/23/33/99/320233399.db2.gz FCLXOLJLASLHQE-BBRMVZONSA-N 1 0 339.823 2.971 20 5 EFBDRO CC(C)C[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000181541464 323238601 /nfs/dbraw/zinc/23/86/01/323238601.db2.gz VGJVPTLEDZSYCO-UHFFFAOYSA-N 1 0 342.461 2.983 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cc1[N+](=O)[O-] ZINC000181840302 323253115 /nfs/dbraw/zinc/25/31/15/323253115.db2.gz PZRHUJJGQSGNLR-UKRRQHHQSA-N 1 0 334.372 2.725 20 5 EFBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181912394 323255170 /nfs/dbraw/zinc/25/51/70/323255170.db2.gz MLYFAARCKVCOKM-YOEHRIQHSA-N 1 0 342.395 2.781 20 5 EFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000181974010 323258106 /nfs/dbraw/zinc/25/81/06/323258106.db2.gz DARFOOVXTSCBGT-KRWDZBQOSA-N 1 0 346.387 2.549 20 5 EFBDRO CN(CCc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182214405 323269075 /nfs/dbraw/zinc/26/90/75/323269075.db2.gz GKYDLKOVFPGOIH-UHFFFAOYSA-N 1 0 348.424 2.543 20 5 EFBDRO C[N@H+](CCCc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182211325 323269479 /nfs/dbraw/zinc/26/94/79/323269479.db2.gz LXRLVMVMCAKQOB-QGZVFWFLSA-N 1 0 344.411 2.899 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000182223104 323270099 /nfs/dbraw/zinc/27/00/99/323270099.db2.gz WNMXBIKPPWZBJF-HZPDHXFCSA-N 1 0 334.416 2.989 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000182326191 323277328 /nfs/dbraw/zinc/27/73/28/323277328.db2.gz JAWUZHSHERDTBI-KGLIPLIRSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000182326175 323277441 /nfs/dbraw/zinc/27/74/41/323277441.db2.gz JAWUZHSHERDTBI-KBPBESRZSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000182336559 323277837 /nfs/dbraw/zinc/27/78/37/323277837.db2.gz YMAIZHUKCSECER-HOCLYGCPSA-N 1 0 335.404 2.779 20 5 EFBDRO COCCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182375022 323279610 /nfs/dbraw/zinc/27/96/10/323279610.db2.gz XGTKHLIDQLHJME-CQSZACIVSA-N 1 0 328.796 2.876 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000182369424 323279781 /nfs/dbraw/zinc/27/97/81/323279781.db2.gz RORDTRJZDNYYOT-ZBFHGGJFSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182378658 323280679 /nfs/dbraw/zinc/28/06/79/323280679.db2.gz QMRIUELFKQXLEJ-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182519268 323287371 /nfs/dbraw/zinc/28/73/71/323287371.db2.gz ZLNYUYOJLIITOT-KGLIPLIRSA-N 1 0 349.387 2.680 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183471466 323336216 /nfs/dbraw/zinc/33/62/16/323336216.db2.gz NYIHFTOFASGZJN-IXDOHACOSA-N 1 0 349.431 2.661 20 5 EFBDRO C[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc([N+](=O)[O-])cc1F ZINC000184517569 323366651 /nfs/dbraw/zinc/36/66/51/323366651.db2.gz CMQWRVVOVODAIV-LLVKDONJSA-N 1 0 346.362 2.933 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184551420 323368071 /nfs/dbraw/zinc/36/80/71/323368071.db2.gz UPUCEFQMPZINBI-AVGNSLFASA-N 1 0 337.395 2.826 20 5 EFBDRO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000185033151 323380913 /nfs/dbraw/zinc/38/09/13/323380913.db2.gz RXFDUCRVFNJZLG-OLZOCXBDSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185129976 323384509 /nfs/dbraw/zinc/38/45/09/323384509.db2.gz PHHUUSLIGQEOJX-OCCSQVGLSA-N 1 0 337.395 2.780 20 5 EFBDRO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185162241 323385577 /nfs/dbraw/zinc/38/55/77/323385577.db2.gz RUNPBEPFBRYTKC-GFCCVEGCSA-N 1 0 337.395 2.686 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185376726 323389693 /nfs/dbraw/zinc/38/96/93/323389693.db2.gz CZPRXXRAJSWTDN-OCCSQVGLSA-N 1 0 337.395 2.780 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000192909369 323483175 /nfs/dbraw/zinc/48/31/75/323483175.db2.gz PZNSRPFPGPXFCD-ZDUSSCGKSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463493 323962950 /nfs/dbraw/zinc/96/29/50/323962950.db2.gz VTBATJCSHJDWGX-UMVBOHGHSA-N 1 0 346.383 2.841 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000580193535 324118289 /nfs/dbraw/zinc/11/82/89/324118289.db2.gz HHVPVAFVTNKEMX-OLZOCXBDSA-N 1 0 340.351 2.517 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000580222080 324123715 /nfs/dbraw/zinc/12/37/15/324123715.db2.gz BEZDPXZRPKHFPT-ZNMIVQPWSA-N 1 0 334.416 2.845 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000580385226 324150086 /nfs/dbraw/zinc/15/00/86/324150086.db2.gz BJYCWCCALGMEPK-LLVKDONJSA-N 1 0 333.392 2.776 20 5 EFBDRO C[C@H]1CN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580390674 324151633 /nfs/dbraw/zinc/15/16/33/324151633.db2.gz WCDMHQCNQSKTAP-SUMWQHHRSA-N 1 0 333.432 2.628 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000580667397 324209955 /nfs/dbraw/zinc/20/99/55/324209955.db2.gz QKOLLCIRYYMGDB-NSHDSACASA-N 1 0 342.804 2.839 20 5 EFBDRO COc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000580782267 324235072 /nfs/dbraw/zinc/23/50/72/324235072.db2.gz BHVGTAQDUQXUJU-HNNXBMFYSA-N 1 0 344.415 2.963 20 5 EFBDRO Cn1cc([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000581109989 324305421 /nfs/dbraw/zinc/30/54/21/324305421.db2.gz CUDDRJZYFMUYOC-KRWDZBQOSA-N 1 0 328.416 2.996 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000581200516 324328219 /nfs/dbraw/zinc/32/82/19/324328219.db2.gz QTNHRLDZGWNOFK-RHSMWYFYSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000581246496 324335461 /nfs/dbraw/zinc/33/54/61/324335461.db2.gz XYJFJSPFUAQODH-INIZCTEOSA-N 1 0 334.803 2.984 20 5 EFBDRO CC(C)n1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290040 324343417 /nfs/dbraw/zinc/34/34/17/324343417.db2.gz NXODQDBFSVHABK-GJZGRUSLSA-N 1 0 332.408 2.842 20 5 EFBDRO CC(C)n1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000581290042 324343747 /nfs/dbraw/zinc/34/37/47/324343747.db2.gz NXODQDBFSVHABK-LSDHHAIUSA-N 1 0 332.408 2.842 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000581479740 324387627 /nfs/dbraw/zinc/38/76/27/324387627.db2.gz YEFCTEKTNVOQBJ-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO Cc1ccc(NCCC[NH2+]C[C@](C)(O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000581603440 324417634 /nfs/dbraw/zinc/41/76/34/324417634.db2.gz XGBFYKPVBPOFIX-ZDUSSCGKSA-N 1 0 335.326 2.608 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000581954141 324488990 /nfs/dbraw/zinc/48/89/90/324488990.db2.gz LAIGVBFYMVJHRT-HNONPPJISA-N 1 0 343.427 2.819 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137441652 473206685 /nfs/dbraw/zinc/20/66/85/473206685.db2.gz ADMOBDGBBURAIY-WMLDXEAASA-N 1 0 339.395 2.988 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161100521 473207131 /nfs/dbraw/zinc/20/71/31/473207131.db2.gz CNNDYJHNNSPNHY-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095407766 473198864 /nfs/dbraw/zinc/19/88/64/473198864.db2.gz STSBHYDPFIGNBK-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000081520343 473212906 /nfs/dbraw/zinc/21/29/06/473212906.db2.gz KHDBZZCBTRSNBY-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000081520344 473213267 /nfs/dbraw/zinc/21/32/67/473213267.db2.gz KHDBZZCBTRSNBY-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081572347 473224240 /nfs/dbraw/zinc/22/42/40/473224240.db2.gz WTUDKONGVYWTTK-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000161311768 473225256 /nfs/dbraw/zinc/22/52/56/473225256.db2.gz UCNCXGKVYLEXDN-CQSZACIVSA-N 1 0 348.447 2.734 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000161311901 473225343 /nfs/dbraw/zinc/22/53/43/473225343.db2.gz UCNCXGKVYLEXDN-AWEZNQCLSA-N 1 0 348.447 2.734 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000095977813 473238063 /nfs/dbraw/zinc/23/80/63/473238063.db2.gz VRDLJSASGQSYMX-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[NH+]1CCN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074241 473241023 /nfs/dbraw/zinc/24/10/23/473241023.db2.gz CZLBOAKNYCONEF-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1[N+](=O)[O-] ZINC000095982157 473241799 /nfs/dbraw/zinc/24/17/99/473241799.db2.gz XKQQNPDYCCUQJA-BXUZGUMPSA-N 1 0 345.403 2.559 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161711749 473254698 /nfs/dbraw/zinc/25/46/98/473254698.db2.gz KHACXJHRBHNKKZ-NEPJUHHUSA-N 1 0 346.412 2.718 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161711644 473255174 /nfs/dbraw/zinc/25/51/74/473255174.db2.gz KHACXJHRBHNKKZ-VXGBXAGGSA-N 1 0 346.412 2.718 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000112309485 473255475 /nfs/dbraw/zinc/25/54/75/473255475.db2.gz PKKYZJJFWJSDCX-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1noc(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171051180 473264210 /nfs/dbraw/zinc/26/42/10/473264210.db2.gz VKEKWQFNLWRFNK-UHFFFAOYSA-N 1 0 341.371 2.890 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCC[NH+]1CCCCCC1 ZINC000124592846 473270895 /nfs/dbraw/zinc/27/08/95/473270895.db2.gz WOAZPNBXPNLREM-UHFFFAOYSA-N 1 0 337.395 2.659 20 5 EFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000081941496 473275731 /nfs/dbraw/zinc/27/57/31/473275731.db2.gz LMDRIORDTDMNDR-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000517134366 468072401 /nfs/dbraw/zinc/07/24/01/468072401.db2.gz NGQVHCVXEKYAGV-AWEZNQCLSA-N 1 0 345.403 2.948 20 5 EFBDRO C[C@@H]1CSCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000190473519 473286534 /nfs/dbraw/zinc/28/65/34/473286534.db2.gz LXCHDJLAWXLELM-NSHDSACASA-N 1 0 341.408 2.747 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000162022464 473295805 /nfs/dbraw/zinc/29/58/05/473295805.db2.gz NTKFTAVOQNKZAJ-KGLIPLIRSA-N 1 0 345.399 2.803 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000124772355 473300456 /nfs/dbraw/zinc/30/04/56/473300456.db2.gz DRKMODNEOXDGHP-UHFFFAOYSA-N 1 0 346.431 2.854 20 5 EFBDRO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000177068553 473300947 /nfs/dbraw/zinc/30/09/47/473300947.db2.gz IIVDZUMXNSSRFN-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177100490 473306387 /nfs/dbraw/zinc/30/63/87/473306387.db2.gz GFPGHHXJIFDSQC-JQWIXIFHSA-N 1 0 337.807 2.532 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000162133228 473306506 /nfs/dbraw/zinc/30/65/06/473306506.db2.gz ICRCIGKKRXXYDJ-VXGBXAGGSA-N 1 0 346.412 2.718 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000171162426 473307487 /nfs/dbraw/zinc/30/74/87/473307487.db2.gz VVNOTRZUQOZZIK-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000147709497 473311411 /nfs/dbraw/zinc/31/14/11/473311411.db2.gz VNJHLOPCFZRSPT-OAHLLOKOSA-N 1 0 333.413 2.997 20 5 EFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000083026504 473312648 /nfs/dbraw/zinc/31/26/48/473312648.db2.gz DKLOJAGREUQPBM-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190553313 473317052 /nfs/dbraw/zinc/31/70/52/473317052.db2.gz SYTVUGIMFMXRFA-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112820983 473317336 /nfs/dbraw/zinc/31/73/36/473317336.db2.gz DZCCVSTZACPQNV-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000171202592 473320922 /nfs/dbraw/zinc/32/09/22/473320922.db2.gz BBEWOIAWEHUULS-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO CC1(C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000190564532 473321283 /nfs/dbraw/zinc/32/12/83/473321283.db2.gz YCKZKZVITYKGRP-UHFFFAOYSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)c1ccco1 ZINC000185082020 473321499 /nfs/dbraw/zinc/32/14/99/473321499.db2.gz HYNUJBRBZUSCFZ-CQSZACIVSA-N 1 0 347.371 2.538 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177159241 473320343 /nfs/dbraw/zinc/32/03/43/473320343.db2.gz AYZYIXVBBIJQOT-QWRGUYRKSA-N 1 0 335.429 2.672 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214357 473332539 /nfs/dbraw/zinc/33/25/39/473332539.db2.gz GSDVUXJUDZIXDP-ZDUSSCGKSA-N 1 0 332.404 2.900 20 5 EFBDRO C[NH+](C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCCC1 ZINC000611152876 469174919 /nfs/dbraw/zinc/17/49/19/469174919.db2.gz LQIGPBNCCCSGKZ-UHFFFAOYSA-N 1 0 332.408 2.704 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185128869 473338041 /nfs/dbraw/zinc/33/80/41/473338041.db2.gz IPKKPKPLUVNXAX-DZGCQCFKSA-N 1 0 349.406 2.924 20 5 EFBDRO C[C@@H](O)[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162457365 473341291 /nfs/dbraw/zinc/34/12/91/473341291.db2.gz NTBATFMGYDKNMV-NXEZZACHSA-N 1 0 329.194 2.560 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706837 469306204 /nfs/dbraw/zinc/30/62/04/469306204.db2.gz HKNMSMYWWYLUBG-ZDUSSCGKSA-N 1 0 329.404 2.928 20 5 EFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125074754 473352158 /nfs/dbraw/zinc/35/21/58/473352158.db2.gz TYGRYNIAJMYFHU-AWEZNQCLSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC34CCOCC4)nc2c1 ZINC000619723141 479866130 /nfs/dbraw/zinc/86/61/30/479866130.db2.gz IHRCZJVDFLGQRK-HNNXBMFYSA-N 1 0 330.388 2.910 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000150829972 473362651 /nfs/dbraw/zinc/36/26/51/473362651.db2.gz FSGPTNVANKOCQE-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150829607 473363325 /nfs/dbraw/zinc/36/33/25/473363325.db2.gz XGKIDGYCKSPIMB-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150850994 473366538 /nfs/dbraw/zinc/36/65/38/473366538.db2.gz AKEHEZQRUSXNMO-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125220150 473375697 /nfs/dbraw/zinc/37/56/97/473375697.db2.gz ZGPPOCVPGQDHIQ-NEPJUHHUSA-N 1 0 349.387 2.773 20 5 EFBDRO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185246554 473375969 /nfs/dbraw/zinc/37/59/69/473375969.db2.gz JWLAIZVJSCUGDX-QWHCGFSZSA-N 1 0 337.395 2.638 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190750022 473382006 /nfs/dbraw/zinc/38/20/06/473382006.db2.gz NOHOINCOTMLZKQ-OAHLLOKOSA-N 1 0 347.415 2.612 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000162778762 473382052 /nfs/dbraw/zinc/38/20/52/473382052.db2.gz LAHRIRMRLMVGQM-UWVGGRQHSA-N 1 0 346.330 2.719 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000125257422 473383655 /nfs/dbraw/zinc/38/36/55/473383655.db2.gz PORRKLROZJUCOY-PBHICJAKSA-N 1 0 329.400 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000618346567 469968997 /nfs/dbraw/zinc/96/89/97/469968997.db2.gz PAZMNCUSGASJTF-UHFFFAOYSA-N 1 0 327.388 2.824 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000162841063 473389068 /nfs/dbraw/zinc/38/90/68/473389068.db2.gz ZRPOEEXDLVMZLB-FZKQIMNGSA-N 1 0 339.395 2.967 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171445285 473389154 /nfs/dbraw/zinc/38/91/54/473389154.db2.gz WCDCYUKVNZKJSC-GFCCVEGCSA-N 1 0 335.429 2.627 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000619782543 479883332 /nfs/dbraw/zinc/88/33/32/479883332.db2.gz BZAUWCNERUFNPA-NSHDSACASA-N 1 0 331.397 2.896 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000619782542 479883880 /nfs/dbraw/zinc/88/38/80/479883880.db2.gz BZAUWCNERUFNPA-LLVKDONJSA-N 1 0 331.397 2.896 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000331655556 475366606 /nfs/dbraw/zinc/36/66/06/475366606.db2.gz WQJHUPFIPBULLY-KBXCAEBGSA-N 1 0 346.431 2.749 20 5 EFBDRO CO[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000338545718 476000140 /nfs/dbraw/zinc/00/01/40/476000140.db2.gz IXMFQDVAKXYRSU-DOTOQJQBSA-N 1 0 342.399 2.864 20 5 EFBDRO Cc1ccccc1C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592140091 478791761 /nfs/dbraw/zinc/79/17/61/478791761.db2.gz YZIBOVPFNNGZDZ-HNNXBMFYSA-N 1 0 342.395 2.922 20 5 EFBDRO Cc1ccccc1C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000592138533 478792849 /nfs/dbraw/zinc/79/28/49/478792849.db2.gz ZITGVUQWJPYVIH-INIZCTEOSA-N 1 0 342.395 2.922 20 5 EFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602579377 479407141 /nfs/dbraw/zinc/40/71/41/479407141.db2.gz ANUCBZUPEHJNRM-RDJZCZTQSA-N 1 0 348.447 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccnc2OCC(F)F)cc1 ZINC000602578390 479407217 /nfs/dbraw/zinc/40/72/17/479407217.db2.gz FDAFPYIORKNFBV-UHFFFAOYSA-N 1 0 337.326 2.966 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000593882944 479495102 /nfs/dbraw/zinc/49/51/02/479495102.db2.gz LUWQJZFNOIIUDA-UHFFFAOYSA-N 1 0 349.431 2.616 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000619846038 479896475 /nfs/dbraw/zinc/89/64/75/479896475.db2.gz BQJGZBZXJNBOMS-IMXKFXGHSA-N 1 0 345.443 2.652 20 5 EFBDRO Cc1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000619868412 479898348 /nfs/dbraw/zinc/89/83/48/479898348.db2.gz WRXJVUIFUKVQAG-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO Cc1sc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000619868387 479898874 /nfs/dbraw/zinc/89/88/74/479898874.db2.gz BWHSGBFJMOJJMF-UHFFFAOYSA-N 1 0 337.445 2.913 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000005603148 471512404 /nfs/dbraw/zinc/51/24/04/471512404.db2.gz LALXQNFBJHJTMT-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000008367019 471684722 /nfs/dbraw/zinc/68/47/22/471684722.db2.gz ATUZOXJBXGACMM-HNNXBMFYSA-N 1 0 325.368 2.599 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000008406585 471686947 /nfs/dbraw/zinc/68/69/47/471686947.db2.gz PSTHGHXQVWMDTO-MRXNPFEDSA-N 1 0 325.368 2.599 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000008430912 471687897 /nfs/dbraw/zinc/68/78/97/471687897.db2.gz XHRQRCWIZYXBOQ-ZHACJKMWSA-N 1 0 339.395 2.986 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008515463 471691462 /nfs/dbraw/zinc/69/14/62/471691462.db2.gz GIFLSSVFFDREBZ-MRXNPFEDSA-N 1 0 343.383 2.684 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000009982514 471725331 /nfs/dbraw/zinc/72/53/31/471725331.db2.gz DAWVKAPWQGJUJC-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000011095077 471746317 /nfs/dbraw/zinc/74/63/17/471746317.db2.gz RTLRPRBRFAGYBH-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000014713207 471877764 /nfs/dbraw/zinc/87/77/64/471877764.db2.gz NVHMLAKEPQAIJF-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000016599202 471943496 /nfs/dbraw/zinc/94/34/96/471943496.db2.gz KDJVYZOAGXPQPX-QGZVFWFLSA-N 1 0 342.399 2.669 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000053271542 471990122 /nfs/dbraw/zinc/99/01/22/471990122.db2.gz XUMXHEAWGQSQNR-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067204141 472004905 /nfs/dbraw/zinc/00/49/05/472004905.db2.gz XVPDKCKNYDWFFJ-INIZCTEOSA-N 1 0 325.368 2.728 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067204139 472005225 /nfs/dbraw/zinc/00/52/25/472005225.db2.gz XVPDKCKNYDWFFJ-MRXNPFEDSA-N 1 0 325.368 2.728 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067276703 472014275 /nfs/dbraw/zinc/01/42/75/472014275.db2.gz NLQXICQJIDBLCJ-MRXNPFEDSA-N 1 0 345.399 2.930 20 5 EFBDRO CNC(=O)c1ccc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053574989 472020865 /nfs/dbraw/zinc/02/08/65/472020865.db2.gz OCRNBQGUKFVEJP-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000053582835 472022253 /nfs/dbraw/zinc/02/22/53/472022253.db2.gz USPYJPMKSKOCHZ-UHFFFAOYSA-N 1 0 331.401 2.848 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000024367725 472053069 /nfs/dbraw/zinc/05/30/69/472053069.db2.gz JRBQXAGCXFXYDM-QGZVFWFLSA-N 1 0 342.399 2.889 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000054059855 472055475 /nfs/dbraw/zinc/05/54/75/472055475.db2.gz WXYOXAPWEXSTKT-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067593909 472056045 /nfs/dbraw/zinc/05/60/45/472056045.db2.gz AXJUPASMSMYCAW-GOSISDBHSA-N 1 0 339.395 2.876 20 5 EFBDRO COc1ccc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000024796467 472067953 /nfs/dbraw/zinc/06/79/53/472067953.db2.gz LKDXLFTUVVQCQC-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000054281658 472071705 /nfs/dbraw/zinc/07/17/05/472071705.db2.gz DBKKSNMBCCHBDG-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO CNc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000054287072 472074247 /nfs/dbraw/zinc/07/42/47/472074247.db2.gz UKGSSLSYUKHPKP-ZDUSSCGKSA-N 1 0 348.447 2.877 20 5 EFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000067725367 472079527 /nfs/dbraw/zinc/07/95/27/472079527.db2.gz OFVXLCKJWRPPSG-UHFFFAOYSA-N 1 0 334.420 2.706 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000054374046 472082855 /nfs/dbraw/zinc/08/28/55/472082855.db2.gz AJSTVHNTJDVSFD-MRXNPFEDSA-N 1 0 330.388 2.736 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CC(C)C)CC1 ZINC000041894485 472094353 /nfs/dbraw/zinc/09/43/53/472094353.db2.gz GUXZLRVAFZQRHV-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CC(C)[NH+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000054645722 472104301 /nfs/dbraw/zinc/10/43/01/472104301.db2.gz KPNPYTGMBYYYEZ-UHFFFAOYSA-N 1 0 336.436 2.555 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645782 472104472 /nfs/dbraw/zinc/10/44/72/472104472.db2.gz BWZYVXXSLACKPW-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000054805956 472117494 /nfs/dbraw/zinc/11/74/94/472117494.db2.gz KOTJICCQOKIITA-AWEZNQCLSA-N 1 0 348.447 2.905 20 5 EFBDRO C[N@H+](CCOc1ccccc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026222738 472127708 /nfs/dbraw/zinc/12/77/08/472127708.db2.gz VPYZTQZKJKKTDH-UHFFFAOYSA-N 1 0 343.383 2.934 20 5 EFBDRO CC(C)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042360213 472133037 /nfs/dbraw/zinc/13/30/37/472133037.db2.gz FTVTUUXYBNBYIV-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000055085202 472139209 /nfs/dbraw/zinc/13/92/09/472139209.db2.gz JZZXSFKCOBJCMP-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000026473468 472139367 /nfs/dbraw/zinc/13/93/67/472139367.db2.gz HGAOXZYRGDGITK-VXGBXAGGSA-N 1 0 349.387 2.773 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134790 472140253 /nfs/dbraw/zinc/14/02/53/472140253.db2.gz MWQJVOCKUCUZSW-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO CNc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000075506436 472147749 /nfs/dbraw/zinc/14/77/49/472147749.db2.gz MCQOCMGFEMRKLL-HNNXBMFYSA-N 1 0 346.431 2.727 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075537099 472152369 /nfs/dbraw/zinc/15/23/69/472152369.db2.gz HVZARSBMGSHYNB-OAHLLOKOSA-N 1 0 332.404 2.981 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000084251123 472160331 /nfs/dbraw/zinc/16/03/31/472160331.db2.gz CJDZTOTXHMUALB-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000075587754 472163357 /nfs/dbraw/zinc/16/33/57/472163357.db2.gz JJHUEBJKHRGYCL-AWEZNQCLSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000075587756 472163428 /nfs/dbraw/zinc/16/34/28/472163428.db2.gz JJHUEBJKHRGYCL-CQSZACIVSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@H]([N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000027135067 472163725 /nfs/dbraw/zinc/16/37/25/472163725.db2.gz OYVMFMXKBLHFOI-JTQLQIEISA-N 1 0 337.376 2.628 20 5 EFBDRO Cc1cc(C)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000027231305 472167075 /nfs/dbraw/zinc/16/70/75/472167075.db2.gz BWYJCHHVMUBBHT-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000027391366 472175913 /nfs/dbraw/zinc/17/59/13/472175913.db2.gz WHXMVHLTDSORDD-UHFFFAOYSA-N 1 0 343.383 2.844 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000027750507 472193451 /nfs/dbraw/zinc/19/34/51/472193451.db2.gz YRQKHYWTDMRZNC-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000043085575 472197415 /nfs/dbraw/zinc/19/74/15/472197415.db2.gz TZAGZYWOFDKVFN-GJZGRUSLSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075837794 472204791 /nfs/dbraw/zinc/20/47/91/472204791.db2.gz NXWQMVVYCRXRHX-OAOQPFQOSA-N 1 0 334.416 2.988 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055749166 472233108 /nfs/dbraw/zinc/23/31/08/472233108.db2.gz PICYEPLVUWKUCX-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055749165 472233375 /nfs/dbraw/zinc/23/33/75/472233375.db2.gz PICYEPLVUWKUCX-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055749939 472234362 /nfs/dbraw/zinc/23/43/62/472234362.db2.gz YQTWPASNQVPKAI-GRYCIOLGSA-N 1 0 325.434 2.753 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000043467402 472234962 /nfs/dbraw/zinc/23/49/62/472234962.db2.gz AHOZQIMZRQRCGE-QGZVFWFLSA-N 1 0 342.399 2.889 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000075996463 472234959 /nfs/dbraw/zinc/23/49/59/472234959.db2.gz GSCUGPWUHFRPKO-ZDUSSCGKSA-N 1 0 348.321 2.609 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000085359723 472239294 /nfs/dbraw/zinc/23/92/94/472239294.db2.gz UGHPZMJXJIALJC-QWHCGFSZSA-N 1 0 336.436 2.931 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068798932 472245393 /nfs/dbraw/zinc/24/53/93/472245393.db2.gz XOYPFHXKEUUTLT-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800432 472245628 /nfs/dbraw/zinc/24/56/28/472245628.db2.gz SFQBUNLLAKPJHF-UHFFFAOYSA-N 1 0 337.445 2.630 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076057448 472254460 /nfs/dbraw/zinc/25/44/60/472254460.db2.gz VHDVXADTMFURMY-OAHLLOKOSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000068936975 472268791 /nfs/dbraw/zinc/26/87/91/472268791.db2.gz OSHDHULZCLTFCH-CQSZACIVSA-N 1 0 337.376 2.828 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000076158858 472288423 /nfs/dbraw/zinc/28/84/23/472288423.db2.gz AYQJSDVTSLRILM-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087134069 472309201 /nfs/dbraw/zinc/30/92/01/472309201.db2.gz UWJHWUBHEIWXBO-INIZCTEOSA-N 1 0 348.447 2.639 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044582640 472320050 /nfs/dbraw/zinc/32/00/50/472320050.db2.gz MJRWYKYJDQTEHC-TXEJJXNPSA-N 1 0 325.434 2.754 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000056459444 472324313 /nfs/dbraw/zinc/32/43/13/472324313.db2.gz DWUSTYBAUVFKFE-HNNXBMFYSA-N 1 0 348.428 2.758 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000044868654 472345751 /nfs/dbraw/zinc/34/57/51/472345751.db2.gz OYXMPTNRQMDJJP-CYBMUJFWSA-N 1 0 337.376 2.828 20 5 EFBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000088230089 472349517 /nfs/dbraw/zinc/34/95/17/472349517.db2.gz RZCIBDZNUVSPBD-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO Cc1nn(C)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000076461400 472350774 /nfs/dbraw/zinc/35/07/74/472350774.db2.gz SQXVINOBEMGEMS-OAHLLOKOSA-N 1 0 329.404 2.886 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000088250683 472352385 /nfs/dbraw/zinc/35/23/85/472352385.db2.gz YEMRJOIXMHMQGA-JXMROGBWSA-N 1 0 343.383 2.791 20 5 EFBDRO COc1cc(CN2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000613381680 479982454 /nfs/dbraw/zinc/98/24/54/479982454.db2.gz QJDVGERGESZTSS-ZDUSSCGKSA-N 1 0 325.384 2.705 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000069501081 472358950 /nfs/dbraw/zinc/35/89/50/472358950.db2.gz OGDSPDCEJXYAOV-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000088601405 472376040 /nfs/dbraw/zinc/37/60/40/472376040.db2.gz JRVQBYACHPMTTO-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000088600281 472376438 /nfs/dbraw/zinc/37/64/38/472376438.db2.gz CWGVVTUPUSJVNV-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000088716891 472381577 /nfs/dbraw/zinc/38/15/77/472381577.db2.gz ABQUUMSZDPIQKW-IRXDYDNUSA-N 1 0 346.475 2.898 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045208930 472382704 /nfs/dbraw/zinc/38/27/04/472382704.db2.gz SULLDFNHARGGSO-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000076681714 472384500 /nfs/dbraw/zinc/38/45/00/472384500.db2.gz RDUOOKGGZWSYKM-MRXNPFEDSA-N 1 0 347.415 2.522 20 5 EFBDRO CNC(=O)c1ccc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000057148306 472386035 /nfs/dbraw/zinc/38/60/35/472386035.db2.gz GWWVHXRPIAPGEV-HZSPNIEDSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000613389714 479984231 /nfs/dbraw/zinc/98/42/31/479984231.db2.gz LDBLQVGEIHTQLH-KSSFIOAISA-N 1 0 330.384 2.728 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389614 479984278 /nfs/dbraw/zinc/98/42/78/479984278.db2.gz OXGRVPHSWPWODO-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCCC1 ZINC000089204711 472391130 /nfs/dbraw/zinc/39/11/30/472391130.db2.gz JEFVEURSZUYOQV-NSHDSACASA-N 1 0 331.376 2.674 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000128056670 472394031 /nfs/dbraw/zinc/39/40/31/472394031.db2.gz KWDVGPCAEAUURM-ZDUSSCGKSA-N 1 0 349.456 2.875 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154173417 472398313 /nfs/dbraw/zinc/39/83/13/472398313.db2.gz YSELPDHJIIQGCK-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388726 479985004 /nfs/dbraw/zinc/98/50/04/479985004.db2.gz CUFRYTQCJZLMQH-MLGOLLRUSA-N 1 0 341.367 2.990 20 5 EFBDRO Cc1c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000057287904 472410057 /nfs/dbraw/zinc/41/00/57/472410057.db2.gz OVBNXDAKEFAGOR-MRXNPFEDSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000154303630 472414108 /nfs/dbraw/zinc/41/41/08/472414108.db2.gz ZSXJUQLEZLRVLB-AWEZNQCLSA-N 1 0 334.420 2.539 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000154330705 472419342 /nfs/dbraw/zinc/41/93/42/472419342.db2.gz GLXZNSQQAZWEHV-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000128212755 472419670 /nfs/dbraw/zinc/41/96/70/472419670.db2.gz IRJRLBZOIGWGLL-NEPJUHHUSA-N 1 0 329.194 2.606 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128245812 472424160 /nfs/dbraw/zinc/42/41/60/472424160.db2.gz NGQNRMAPSSNEKP-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069776610 472428693 /nfs/dbraw/zinc/42/86/93/472428693.db2.gz OCMKQAMTTPEZAS-AWEZNQCLSA-N 1 0 334.420 2.782 20 5 EFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000032400303 472428861 /nfs/dbraw/zinc/42/88/61/472428861.db2.gz ZCLSTGRYNKBJIR-UHFFFAOYSA-N 1 0 339.395 2.773 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000045625286 472435738 /nfs/dbraw/zinc/43/57/38/472435738.db2.gz NVAWJOBVALTHEZ-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000097083803 472437177 /nfs/dbraw/zinc/43/71/77/472437177.db2.gz NMCCJTNZURZQFD-CYBMUJFWSA-N 1 0 328.372 2.556 20 5 EFBDRO CC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000097083836 472437698 /nfs/dbraw/zinc/43/76/98/472437698.db2.gz RFPQVQLTASRUJJ-AWEZNQCLSA-N 1 0 342.399 2.804 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069849335 472451488 /nfs/dbraw/zinc/45/14/88/472451488.db2.gz BAQKLAQCEYVPNS-ZNFPLGDCSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513321 472452001 /nfs/dbraw/zinc/45/20/01/472452001.db2.gz DFRJBIOQRLZBCP-JTQLQIEISA-N 1 0 339.193 2.732 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069857603 472452531 /nfs/dbraw/zinc/45/25/31/472452531.db2.gz JLWIXUJBZFQBPH-JKSUJKDBSA-N 1 0 333.432 2.700 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000154637525 472454679 /nfs/dbraw/zinc/45/46/79/472454679.db2.gz UMWMEFNYBQARRM-UHFFFAOYSA-N 1 0 349.337 2.865 20 5 EFBDRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154661357 472458848 /nfs/dbraw/zinc/45/88/48/472458848.db2.gz WSWHSQKJKWLDLH-OALUTQOASA-N 1 0 344.411 2.901 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045770605 472460272 /nfs/dbraw/zinc/46/02/72/472460272.db2.gz JSUOVBKQIHASLD-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000069911623 472464022 /nfs/dbraw/zinc/46/40/22/472464022.db2.gz NFQUKVOIUHKELF-INIZCTEOSA-N 1 0 336.413 2.810 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057716862 472467212 /nfs/dbraw/zinc/46/72/12/472467212.db2.gz HIIOEDKEJPCANG-RYUDHWBXSA-N 1 0 337.445 2.674 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ncccc12 ZINC000089602949 472467485 /nfs/dbraw/zinc/46/74/85/472467485.db2.gz SAQQIJNEHJVHRU-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO CCOc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089602846 472467632 /nfs/dbraw/zinc/46/76/32/472467632.db2.gz WEAVWWYWYHIMRD-HNNXBMFYSA-N 1 0 335.404 2.659 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000089628523 472472412 /nfs/dbraw/zinc/47/24/12/472472412.db2.gz UVXDULVSHSIZSE-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128625285 472476873 /nfs/dbraw/zinc/47/68/73/472476873.db2.gz WORHLRUCDXRAIZ-UHFFFAOYSA-N 1 0 341.383 2.547 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000033083791 472495841 /nfs/dbraw/zinc/49/58/41/472495841.db2.gz CSWNMOXDKUQNJR-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000129062890 472519593 /nfs/dbraw/zinc/51/95/93/472519593.db2.gz FMJKHARDVZVGRO-FZMZJTMJSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089883294 472532378 /nfs/dbraw/zinc/53/23/78/472532378.db2.gz DYKYJDPHDVWCOV-UHFFFAOYSA-N 1 0 330.388 2.776 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077542786 472550964 /nfs/dbraw/zinc/55/09/64/472550964.db2.gz GVIVQJFEPJFDFE-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046593533 472574064 /nfs/dbraw/zinc/57/40/64/472574064.db2.gz FDICAPGZAGUNRV-KBPBESRZSA-N 1 0 349.431 2.986 20 5 EFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000046600381 472575796 /nfs/dbraw/zinc/57/57/96/472575796.db2.gz HNMZHYODBXQPPQ-UHFFFAOYSA-N 1 0 336.388 2.852 20 5 EFBDRO CC(C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000071849534 472582905 /nfs/dbraw/zinc/58/29/05/472582905.db2.gz LSHAPBKURGUQNX-INIZCTEOSA-N 1 0 340.855 2.932 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnnc1C1CC1 ZINC000090032020 472582854 /nfs/dbraw/zinc/58/28/54/472582854.db2.gz CMEFMLCYJDTWTA-CYBMUJFWSA-N 1 0 329.404 2.675 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119791848 472583775 /nfs/dbraw/zinc/58/37/75/472583775.db2.gz XOFNDIJMTSHDBJ-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000119807009 472584994 /nfs/dbraw/zinc/58/49/94/472584994.db2.gz WMNOVFOKDMYPOR-HNNXBMFYSA-N 1 0 349.387 2.820 20 5 EFBDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000119807149 472585081 /nfs/dbraw/zinc/58/50/81/472585081.db2.gz WMNOVFOKDMYPOR-OAHLLOKOSA-N 1 0 349.387 2.820 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000102637297 472585625 /nfs/dbraw/zinc/58/56/25/472585625.db2.gz DRKIUQZCRWWLPU-AWEZNQCLSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119830845 472587240 /nfs/dbraw/zinc/58/72/40/472587240.db2.gz ACKWFRNKPQNZAF-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000046708242 472588527 /nfs/dbraw/zinc/58/85/27/472588527.db2.gz YHNGYZSVTFRMOV-CQSZACIVSA-N 1 0 329.356 2.755 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000102926068 472599590 /nfs/dbraw/zinc/59/95/90/472599590.db2.gz RDCCHYJGSQOWKF-INIZCTEOSA-N 1 0 329.400 2.748 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](OCC(C)C)C1 ZINC000119910660 472600637 /nfs/dbraw/zinc/60/06/37/472600637.db2.gz XWKHXUFKUHMJDW-OAHLLOKOSA-N 1 0 335.404 2.589 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000058861301 472607444 /nfs/dbraw/zinc/60/74/44/472607444.db2.gz FEDUKMWGKVCJDW-UHFFFAOYSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000155814610 472621216 /nfs/dbraw/zinc/62/12/16/472621216.db2.gz BPECKVZBIKQZGS-STQMWFEESA-N 1 0 338.371 2.982 20 5 EFBDRO Cc1nccn1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000130692468 472622281 /nfs/dbraw/zinc/62/22/81/472622281.db2.gz WWZJIYHGQVKLIV-UHFFFAOYSA-N 1 0 329.360 2.763 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC[NH+]1CCC(O)CC1 ZINC000059363440 472625628 /nfs/dbraw/zinc/62/56/28/472625628.db2.gz HOEZHAMUIAIERS-UHFFFAOYSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071970317 472626955 /nfs/dbraw/zinc/62/69/55/472626955.db2.gz JPZUMZCBIJSSJE-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000090518866 472628563 /nfs/dbraw/zinc/62/85/63/472628563.db2.gz CVBXKXZMHXMABK-MRXNPFEDSA-N 1 0 331.347 2.733 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccc(F)cc1 ZINC000090519104 472628760 /nfs/dbraw/zinc/62/87/60/472628760.db2.gz AFLAFDZSLROCGR-ZDUSSCGKSA-N 1 0 333.363 2.979 20 5 EFBDRO CC[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090519499 472628943 /nfs/dbraw/zinc/62/89/43/472628943.db2.gz CFHSOYZYRKLXBZ-KRWDZBQOSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090529826 472630106 /nfs/dbraw/zinc/63/01/06/472630106.db2.gz FOPBYYCXQWUQRB-NSHDSACASA-N 1 0 336.417 2.523 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000090538097 472631512 /nfs/dbraw/zinc/63/15/12/472631512.db2.gz NTYINVSODXQPLV-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550726 472633798 /nfs/dbraw/zinc/63/37/98/472633798.db2.gz PFDJIFBWOFUONF-MRXNPFEDSA-N 1 0 329.400 2.710 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc2ccccc2o1 ZINC000090551481 472633863 /nfs/dbraw/zinc/63/38/63/472633863.db2.gz OLABLJOVDXBMJK-UHFFFAOYSA-N 1 0 327.340 2.635 20 5 EFBDRO CCC[N@@H+](CCc1cccc(F)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549235 472633998 /nfs/dbraw/zinc/63/39/98/472633998.db2.gz HDUCUUJXCOFTKW-UHFFFAOYSA-N 1 0 347.390 2.850 20 5 EFBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552052 472634728 /nfs/dbraw/zinc/63/47/28/472634728.db2.gz SSFOZIJYRADJAM-PBHICJAKSA-N 1 0 327.384 2.635 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000090552049 472634979 /nfs/dbraw/zinc/63/49/79/472634979.db2.gz KHAWRJNWTYDMKG-UHFFFAOYSA-N 1 0 345.374 2.775 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000046988376 472635440 /nfs/dbraw/zinc/63/54/40/472635440.db2.gz OXKYBPSBVFBJDZ-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046989030 472635474 /nfs/dbraw/zinc/63/54/74/472635474.db2.gz LXSNAKJMNLIFMF-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046990985 472636630 /nfs/dbraw/zinc/63/66/30/472636630.db2.gz HQQWRCLNOXPZQW-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)Cc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000155914489 472638480 /nfs/dbraw/zinc/63/84/80/472638480.db2.gz IXHQIEZHNJQHPV-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCOCC1 ZINC000155919500 472640010 /nfs/dbraw/zinc/64/00/10/472640010.db2.gz QHAKBZCAANRYON-UHFFFAOYSA-N 1 0 341.795 2.545 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090610776 472642180 /nfs/dbraw/zinc/64/21/80/472642180.db2.gz KPGWMQQSOZCRFE-QEORTHHSSA-N 1 0 346.431 2.970 20 5 EFBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361106 472647162 /nfs/dbraw/zinc/64/71/62/472647162.db2.gz VSBIVVQLVWQHRQ-MRXNPFEDSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000060394758 472651197 /nfs/dbraw/zinc/65/11/97/472651197.db2.gz JVZRESRMRCWQFH-UHFFFAOYSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCCCC1 ZINC000060396096 472651271 /nfs/dbraw/zinc/65/12/71/472651271.db2.gz KMUKYUQVLHWTAO-CYBMUJFWSA-N 1 0 344.415 2.928 20 5 EFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000156036719 472658494 /nfs/dbraw/zinc/65/84/94/472658494.db2.gz SBIOYGJSWGXHGL-QWHCGFSZSA-N 1 0 342.399 2.698 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000047145543 472660824 /nfs/dbraw/zinc/66/08/24/472660824.db2.gz RQPVWKXKLXRXEI-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000060485111 472661944 /nfs/dbraw/zinc/66/19/44/472661944.db2.gz DUKBWTABPSWYOU-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000104661139 472680680 /nfs/dbraw/zinc/68/06/80/472680680.db2.gz SQAZKUKFIJQJAF-BETUJISGSA-N 1 0 331.372 2.902 20 5 EFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)cc1 ZINC000060862622 472681533 /nfs/dbraw/zinc/68/15/33/472681533.db2.gz KCTAOKKPWNCIRN-CQSZACIVSA-N 1 0 342.403 2.524 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000104684515 472683313 /nfs/dbraw/zinc/68/33/13/472683313.db2.gz CFWYLRFWQCMTAP-CQSZACIVSA-N 1 0 349.431 2.857 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061011987 472688178 /nfs/dbraw/zinc/68/81/78/472688178.db2.gz LGUKIXFXYCRUBW-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000613450827 480003771 /nfs/dbraw/zinc/00/37/71/480003771.db2.gz GQZBJGBAASNQHP-CQSZACIVSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C1CCCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120458822 472693660 /nfs/dbraw/zinc/69/36/60/472693660.db2.gz FTMWZTAAYRMKQZ-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078307393 472694108 /nfs/dbraw/zinc/69/41/08/472694108.db2.gz YLTQNBJEFJYLIH-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072693822 472701027 /nfs/dbraw/zinc/70/10/27/472701027.db2.gz HJPZSACFCPDPCY-CJNGLKHVSA-N 1 0 329.400 2.748 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000120517179 472702721 /nfs/dbraw/zinc/70/27/21/472702721.db2.gz TUWVYDRLGKFGAL-IOASZLSFSA-N 1 0 340.445 2.783 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091099484 472704386 /nfs/dbraw/zinc/70/43/86/472704386.db2.gz HXPDSKNOTXDKQZ-ZDUSSCGKSA-N 1 0 337.445 2.557 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000091099191 472704816 /nfs/dbraw/zinc/70/48/16/472704816.db2.gz WZYDVDXIPGJDME-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072731480 472709651 /nfs/dbraw/zinc/70/96/51/472709651.db2.gz GEXSBPMFWYNCNU-AWEZNQCLSA-N 1 0 332.404 2.790 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000072729655 472709912 /nfs/dbraw/zinc/70/99/12/472709912.db2.gz JZIPOSMCHULSQU-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO CCNC(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072726987 472710040 /nfs/dbraw/zinc/71/00/40/472710040.db2.gz GINCESYUVFOZHG-UHFFFAOYSA-N 1 0 342.399 2.588 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc2sccn21 ZINC000078424829 472713711 /nfs/dbraw/zinc/71/37/11/472713711.db2.gz IPYXDWJIGSVKKI-LBPRGKRZSA-N 1 0 335.433 2.616 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072809092 472718942 /nfs/dbraw/zinc/71/89/42/472718942.db2.gz BVAJDEKKVIMZNN-KGLIPLIRSA-N 1 0 334.420 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132179110 472719817 /nfs/dbraw/zinc/71/98/17/472719817.db2.gz OFDBWDHUWOCYDE-MRXNPFEDSA-N 1 0 334.416 2.655 20 5 EFBDRO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000105159798 472729317 /nfs/dbraw/zinc/72/93/17/472729317.db2.gz RSCNRMAIVFLGFA-CZUORRHYSA-N 1 0 332.404 2.536 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000062231591 472732107 /nfs/dbraw/zinc/73/21/07/472732107.db2.gz JPIVJNJDTMVBCA-OAHLLOKOSA-N 1 0 343.383 2.830 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000072898668 472737457 /nfs/dbraw/zinc/73/74/57/472737457.db2.gz MQKJNGLXTFJCON-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCOCC1 ZINC000072947497 472745434 /nfs/dbraw/zinc/74/54/34/472745434.db2.gz FYJCMKWCAZNTRG-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000105349977 472748070 /nfs/dbraw/zinc/74/80/70/472748070.db2.gz XDIORWIDVATGLL-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000105488110 472754289 /nfs/dbraw/zinc/75/42/89/472754289.db2.gz IRMFMUYCACEFSZ-CYBMUJFWSA-N 1 0 343.431 2.568 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000105599806 472761579 /nfs/dbraw/zinc/76/15/79/472761579.db2.gz ZPBNHKQXIZRBBN-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CCOC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000091453538 472767379 /nfs/dbraw/zinc/76/73/79/472767379.db2.gz UKSJKRBOUKXXIS-OAHLLOKOSA-N 1 0 347.415 2.836 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000078783721 472769110 /nfs/dbraw/zinc/76/91/10/472769110.db2.gz QQWGOOUWTLSEBQ-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)cc1Cl ZINC000091459638 472769880 /nfs/dbraw/zinc/76/98/80/472769880.db2.gz QAFUJPSHQWBBDL-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091476692 472770843 /nfs/dbraw/zinc/77/08/43/472770843.db2.gz IWBKSDFKPNMDRA-HOTGVXAUSA-N 1 0 332.448 2.590 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091476697 472771168 /nfs/dbraw/zinc/77/11/68/472771168.db2.gz IWBKSDFKPNMDRA-HZPDHXFCSA-N 1 0 332.448 2.590 20 5 EFBDRO Cc1c(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000047925634 472782081 /nfs/dbraw/zinc/78/20/81/472782081.db2.gz IPJDILZONVWQLG-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000157094181 472784811 /nfs/dbraw/zinc/78/48/11/472784811.db2.gz HZEJWCOVNPYBOZ-GFCCVEGCSA-N 1 0 331.397 2.631 20 5 EFBDRO CCOC(=O)c1ccnc(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000133282276 472787511 /nfs/dbraw/zinc/78/75/11/472787511.db2.gz FKKBYUKZPPZFJO-GFCCVEGCSA-N 1 0 338.408 2.555 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000063567141 472788233 /nfs/dbraw/zinc/78/82/33/472788233.db2.gz HOJASRVGCRIZEQ-IAGOWNOFSA-N 1 0 347.415 2.875 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157247570 472800899 /nfs/dbraw/zinc/80/08/99/472800899.db2.gz IIWSUUNSSNDXOD-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063725816 472806516 /nfs/dbraw/zinc/80/65/16/472806516.db2.gz CDCJERBUOSFKDL-JXMROGBWSA-N 1 0 331.416 2.941 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000133463576 472806657 /nfs/dbraw/zinc/80/66/57/472806657.db2.gz SXZYDGHFCLEKOG-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO COc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063726348 472806826 /nfs/dbraw/zinc/80/68/26/472806826.db2.gz LGEJBJQKPBYJSD-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121149211 472807632 /nfs/dbraw/zinc/80/76/32/472807632.db2.gz KYFPCEHUGADUFJ-GWCFXTLKSA-N 1 0 325.796 2.660 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000063727653 472807826 /nfs/dbraw/zinc/80/78/26/472807826.db2.gz WNHKTXIPQFJLDG-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063771975 472812492 /nfs/dbraw/zinc/81/24/92/472812492.db2.gz HCYDCDZLOSUHAQ-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@@H]21 ZINC000133530809 472814373 /nfs/dbraw/zinc/81/43/73/472814373.db2.gz BFZCUVRZHAGKEL-HIFRSBDPSA-N 1 0 343.387 2.565 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000157462587 472823548 /nfs/dbraw/zinc/82/35/48/472823548.db2.gz MHYWBBGUHHGFPZ-MRXNPFEDSA-N 1 0 346.387 2.646 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073530014 472824861 /nfs/dbraw/zinc/82/48/61/472824861.db2.gz JZYWLMBLBABVHS-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1ccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114272 472834654 /nfs/dbraw/zinc/83/46/54/472834654.db2.gz VTVJGFJLUJOJIR-KRWDZBQOSA-N 1 0 342.399 2.717 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000133762069 472838447 /nfs/dbraw/zinc/83/84/47/472838447.db2.gz VPTFIPSZZVQIAU-ZDUSSCGKSA-N 1 0 337.395 2.515 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000091991192 472838902 /nfs/dbraw/zinc/83/89/02/472838902.db2.gz LBIJRZGYCXMAJF-CABCVRRESA-N 1 0 331.416 2.829 20 5 EFBDRO CCOCCO[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157624114 472840349 /nfs/dbraw/zinc/84/03/49/472840349.db2.gz AHAGAIKUJCWUGD-ZDUSSCGKSA-N 1 0 328.796 2.876 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000064311959 472842575 /nfs/dbraw/zinc/84/25/75/472842575.db2.gz MCXJMPQONAQNKZ-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO CC[NH+]1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121382006 472844043 /nfs/dbraw/zinc/84/40/43/472844043.db2.gz CTNOLKYTZYPNHA-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000121424043 472848973 /nfs/dbraw/zinc/84/89/73/472848973.db2.gz YHPDYYUGMCBBRX-NSHDSACASA-N 1 0 346.330 2.719 20 5 EFBDRO CC(C)[NH+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000048298335 472852218 /nfs/dbraw/zinc/85/22/18/472852218.db2.gz OHKVEMSDOBCGCG-UHFFFAOYSA-N 1 0 332.404 2.925 20 5 EFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000121519675 472865268 /nfs/dbraw/zinc/86/52/68/472865268.db2.gz JNSXTKGKNJHRFJ-ZDUSSCGKSA-N 1 0 333.432 2.964 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000157946843 472877752 /nfs/dbraw/zinc/87/77/52/472877752.db2.gz BCCHGAWILVQZOQ-AWEZNQCLSA-N 1 0 335.404 2.736 20 5 EFBDRO Cc1c(CC(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000157991509 472881179 /nfs/dbraw/zinc/88/11/79/472881179.db2.gz VLBYSFDBYURCES-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134370669 472900268 /nfs/dbraw/zinc/90/02/68/472900268.db2.gz PUGGUYYLXZNZSN-ZDUSSCGKSA-N 1 0 343.811 2.526 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000121786581 472914386 /nfs/dbraw/zinc/91/43/86/472914386.db2.gz GBDSPRMFFRYQRT-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO O=C(C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000121805682 472917790 /nfs/dbraw/zinc/91/77/90/472917790.db2.gz GUFQONNSZGCCNN-LBPRGKRZSA-N 1 0 334.401 2.590 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134512961 472920278 /nfs/dbraw/zinc/92/02/78/472920278.db2.gz VGRNMQQKXCGBDE-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000079798265 472923613 /nfs/dbraw/zinc/92/36/13/472923613.db2.gz PHMDDYQFPVRAMN-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO CS[C@@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000134548962 472927422 /nfs/dbraw/zinc/92/74/22/472927422.db2.gz DCLSTIGCQLBBOY-HZPDHXFCSA-N 1 0 349.456 2.918 20 5 EFBDRO CCC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121850693 472929369 /nfs/dbraw/zinc/92/93/69/472929369.db2.gz BKLDONHSRMXDJS-AWEZNQCLSA-N 1 0 339.411 2.667 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000134570368 472931025 /nfs/dbraw/zinc/93/10/25/472931025.db2.gz MMMCWYZHCIUIEX-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000107195235 472932535 /nfs/dbraw/zinc/93/25/35/472932535.db2.gz FGLHPMRUPHUJKF-UHFFFAOYSA-N 1 0 333.344 2.771 20 5 EFBDRO Cc1cc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000079872509 472935235 /nfs/dbraw/zinc/93/52/35/472935235.db2.gz XZSUEAGLKOQFLQ-SFHVURJKSA-N 1 0 341.411 2.734 20 5 EFBDRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000158603746 472951682 /nfs/dbraw/zinc/95/16/82/472951682.db2.gz BJCHAEPAKJAROV-UHFFFAOYSA-N 1 0 329.356 2.552 20 5 EFBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)ccc1[N+](=O)[O-] ZINC000092655480 472953699 /nfs/dbraw/zinc/95/36/99/472953699.db2.gz VYKSORYCOGLRNS-UHFFFAOYSA-N 1 0 333.417 2.650 20 5 EFBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000092655505 472954391 /nfs/dbraw/zinc/95/43/91/472954391.db2.gz QQHXIIIQJZYSTN-NSHDSACASA-N 1 0 333.417 2.650 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080045798 472966192 /nfs/dbraw/zinc/96/61/92/472966192.db2.gz JBAXEOFVWXCSFV-AWEZNQCLSA-N 1 0 336.436 2.885 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000050008704 472974168 /nfs/dbraw/zinc/97/41/68/472974168.db2.gz ZRYUFIYNPKVQLM-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO CC[N@H+](CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000080109603 472978106 /nfs/dbraw/zinc/97/81/06/472978106.db2.gz AEONAGJOXCBTNO-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccccc1 ZINC000074289409 472978602 /nfs/dbraw/zinc/97/86/02/472978602.db2.gz OWACUNWZPVQGNU-GOSISDBHSA-N 1 0 330.384 2.604 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158927342 472979951 /nfs/dbraw/zinc/97/99/51/472979951.db2.gz RAYJMHMBQSJONX-WBVHZDCISA-N 1 0 335.448 2.647 20 5 EFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000134866900 472980284 /nfs/dbraw/zinc/98/02/84/472980284.db2.gz XBLPTEJHRYBNSI-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878646 472981379 /nfs/dbraw/zinc/98/13/79/472981379.db2.gz YHRCGCCGKKJCKH-DNVCBOLYSA-N 1 0 345.443 2.922 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCOC1 ZINC000107800432 472983107 /nfs/dbraw/zinc/98/31/07/472983107.db2.gz KMVCJNUZCFOACM-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159044733 472993982 /nfs/dbraw/zinc/99/39/82/472993982.db2.gz SNPCCUDWHDDWOH-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092828973 472994266 /nfs/dbraw/zinc/99/42/66/472994266.db2.gz GUIXZWJLTNSFDY-AWEZNQCLSA-N 1 0 335.383 2.745 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000065725857 473002914 /nfs/dbraw/zinc/00/29/14/473002914.db2.gz YOYQNZZSCAYGHO-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080248129 473002975 /nfs/dbraw/zinc/00/29/75/473002975.db2.gz DWYVLWOTQSTMHC-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000050954401 473014642 /nfs/dbraw/zinc/01/46/42/473014642.db2.gz KFYZOAZLLKDCKS-UHFFFAOYSA-N 1 0 336.411 2.704 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051058585 473023960 /nfs/dbraw/zinc/02/39/60/473023960.db2.gz MPOWCNXOVMIRTB-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065931784 473028834 /nfs/dbraw/zinc/02/88/34/473028834.db2.gz UUOWCGBVUCRJFM-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000080463590 473034359 /nfs/dbraw/zinc/03/43/59/473034359.db2.gz AMIUMTKTPFGHIE-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135209793 473036663 /nfs/dbraw/zinc/03/66/63/473036663.db2.gz AKAXHTFZJLBOMM-MWLCHTKSSA-N 1 0 329.194 2.872 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000159577911 473041607 /nfs/dbraw/zinc/04/16/07/473041607.db2.gz UKPSQPLFVSDNOI-BBRMVZONSA-N 1 0 329.400 2.748 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000066138073 473047744 /nfs/dbraw/zinc/04/77/44/473047744.db2.gz NKRLPCPNBAGTIT-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074726299 473052435 /nfs/dbraw/zinc/05/24/35/473052435.db2.gz NSDQADMKEHREGF-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000051506471 473052766 /nfs/dbraw/zinc/05/27/66/473052766.db2.gz KVZGEZSPNWPITD-AWEZNQCLSA-N 1 0 344.367 2.745 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051504456 473053171 /nfs/dbraw/zinc/05/31/71/473053171.db2.gz USDNNGQSSTYHIE-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000051505618 473053318 /nfs/dbraw/zinc/05/33/18/473053318.db2.gz KVSOQHPNCHFYTC-MRXNPFEDSA-N 1 0 328.368 2.909 20 5 EFBDRO Cc1cc(NCc2ccccc2OCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080599996 473053833 /nfs/dbraw/zinc/05/38/33/473053833.db2.gz KLWKWYNNAUCNQD-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074769439 473060785 /nfs/dbraw/zinc/06/07/85/473060785.db2.gz HRFZOCMNNRJIRX-UHFFFAOYSA-N 1 0 336.436 2.625 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000080644631 473061662 /nfs/dbraw/zinc/06/16/62/473061662.db2.gz IUWUXNLKOSHLMX-AWEZNQCLSA-N 1 0 349.431 2.654 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052005252 473079235 /nfs/dbraw/zinc/07/92/35/473079235.db2.gz HJDNSFLDEQGJGR-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CC1CC[NH+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000052160316 473088129 /nfs/dbraw/zinc/08/81/29/473088129.db2.gz INDBNZFIUNRVRX-UHFFFAOYSA-N 1 0 346.431 2.631 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433931 473108372 /nfs/dbraw/zinc/10/83/72/473108372.db2.gz PIWIOWLUUIEHLK-JTQLQIEISA-N 1 0 343.225 2.895 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093506099 473115055 /nfs/dbraw/zinc/11/50/55/473115055.db2.gz VACRZISFYRXOIP-DOMZBBRYSA-N 1 0 336.388 2.613 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnccn1 ZINC000080966802 473116455 /nfs/dbraw/zinc/11/64/55/473116455.db2.gz OUQBTXMEFBKWEG-UHFFFAOYSA-N 1 0 339.355 2.714 20 5 EFBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1O ZINC000080975830 473121324 /nfs/dbraw/zinc/12/13/24/473121324.db2.gz TUHHPJQYGRSZHI-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000052556598 473123842 /nfs/dbraw/zinc/12/38/42/473123842.db2.gz RDLHYJWKIWQIDZ-CQSZACIVSA-N 1 0 334.420 2.516 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000160554545 473142430 /nfs/dbraw/zinc/14/24/30/473142430.db2.gz WESQENOCYOZOGX-JTQLQIEISA-N 1 0 343.811 2.649 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081121136 473149759 /nfs/dbraw/zinc/14/97/59/473149759.db2.gz WQCXGJQCNKBDCV-GOSISDBHSA-N 1 0 339.395 2.941 20 5 EFBDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052835590 473153108 /nfs/dbraw/zinc/15/31/08/473153108.db2.gz IKCIIVWJMRTRDU-SFHVURJKSA-N 1 0 339.395 2.701 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000136373027 473154682 /nfs/dbraw/zinc/15/46/82/473154682.db2.gz FERZFGHSDOLAOZ-GFCCVEGCSA-N 1 0 343.387 2.945 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000093910308 473162080 /nfs/dbraw/zinc/16/20/80/473162080.db2.gz WVDVGXOMOJBKMN-UHFFFAOYSA-N 1 0 331.416 2.877 20 5 EFBDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066890371 473170084 /nfs/dbraw/zinc/17/00/84/473170084.db2.gz MVUXEORCEWQRCE-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO COCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809150 473177265 /nfs/dbraw/zinc/17/72/65/473177265.db2.gz HMDCFOFZUWWRRL-SFHVURJKSA-N 1 0 330.384 2.777 20 5 EFBDRO COc1ccc(OCC[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136819512 473177841 /nfs/dbraw/zinc/17/78/41/473177841.db2.gz QPYIOBNNYZDENY-SFHVURJKSA-N 1 0 346.383 2.648 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066946673 473182409 /nfs/dbraw/zinc/18/24/09/473182409.db2.gz QJHNPYKBJZFNBH-CYBMUJFWSA-N 1 0 330.388 2.632 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000123786360 473185416 /nfs/dbraw/zinc/18/54/16/473185416.db2.gz PCLXVWSEGVHCBO-UHFFFAOYSA-N 1 0 331.347 2.596 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000123798042 473186407 /nfs/dbraw/zinc/18/64/07/473186407.db2.gz FJPQCVMRVXHTHF-OAHLLOKOSA-N 1 0 344.415 2.662 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124006789 473204674 /nfs/dbraw/zinc/20/46/74/473204674.db2.gz LKEAUYNHLJFTOJ-GFCCVEGCSA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000113597704 473408750 /nfs/dbraw/zinc/40/87/50/473408750.db2.gz FIILYVCGIYQCQP-HEHGZKQESA-N 1 0 332.404 2.534 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177683517 473417208 /nfs/dbraw/zinc/41/72/08/473417208.db2.gz CVRPFWAXDLUOLD-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000185410447 473419962 /nfs/dbraw/zinc/41/99/62/473419962.db2.gz VKXDDXILFUTQLE-WBVHZDCISA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000163240689 473425613 /nfs/dbraw/zinc/42/56/13/473425613.db2.gz QOSOFXLDQFSLDP-RYUDHWBXSA-N 1 0 349.387 2.820 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185489497 473440329 /nfs/dbraw/zinc/44/03/29/473440329.db2.gz JSHAQSBINFWIPY-GRYCIOLGSA-N 1 0 335.379 2.579 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185579565 473461052 /nfs/dbraw/zinc/46/10/52/473461052.db2.gz CLUPDLBBHZTMRN-OCCSQVGLSA-N 1 0 341.367 2.688 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000125844318 473464064 /nfs/dbraw/zinc/46/40/64/473464064.db2.gz ZYNSXPSFNJSANF-WFASDCNBSA-N 1 0 328.372 2.823 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114466468 473469089 /nfs/dbraw/zinc/46/90/89/473469089.db2.gz XXUDHADWJCBFOE-KRWDZBQOSA-N 1 0 342.395 2.955 20 5 EFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000185652543 473478524 /nfs/dbraw/zinc/47/85/24/473478524.db2.gz APQKIYNMTGURCB-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178296519 473485035 /nfs/dbraw/zinc/48/50/35/473485035.db2.gz VFNNTIJPWZEJEU-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000114644709 473488834 /nfs/dbraw/zinc/48/88/34/473488834.db2.gz JMLLMYGQWSUSQM-GOSISDBHSA-N 1 0 339.395 2.989 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000178340958 473495598 /nfs/dbraw/zinc/49/55/98/473495598.db2.gz MUQPMWTVWIDOQI-JTQLQIEISA-N 1 0 346.330 2.673 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1CO ZINC000191177218 473497886 /nfs/dbraw/zinc/49/78/86/473497886.db2.gz ZQGDABJQHRZPBA-IAQYHMDHSA-N 1 0 333.413 2.921 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCCO1 ZINC000114726615 473498836 /nfs/dbraw/zinc/49/88/36/473498836.db2.gz UWNYSVMMSLWPNH-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000126247483 473502057 /nfs/dbraw/zinc/50/20/57/473502057.db2.gz OAZWBEIBQZHLMQ-OAHLLOKOSA-N 1 0 333.432 2.636 20 5 EFBDRO CCn1c(SC[C@@H]2CC[N@H+](C)C2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000191197767 473504576 /nfs/dbraw/zinc/50/45/76/473504576.db2.gz XFWUVQJXINEFNF-GFCCVEGCSA-N 1 0 347.444 2.917 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000185783359 473512760 /nfs/dbraw/zinc/51/27/60/473512760.db2.gz OHKHSOVVGSLBTP-NSHDSACASA-N 1 0 327.768 2.569 20 5 EFBDRO COCCN(Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191240495 473515241 /nfs/dbraw/zinc/51/52/41/473515241.db2.gz FGQPWFFAPKJBQG-UHFFFAOYSA-N 1 0 331.372 2.647 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000165751091 473515875 /nfs/dbraw/zinc/51/58/75/473515875.db2.gz AKJJOVHSXIKHIT-SECBINFHSA-N 1 0 341.209 2.709 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165824620 473516265 /nfs/dbraw/zinc/51/62/65/473516265.db2.gz JDPPLOMQCIQSNR-ZJUUUORDSA-N 1 0 343.225 2.624 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126456934 473517716 /nfs/dbraw/zinc/51/77/16/473517716.db2.gz PFYGWGHQRIWNNX-YJBOKZPZSA-N 1 0 343.427 2.613 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126456592 473517780 /nfs/dbraw/zinc/51/77/80/473517780.db2.gz PFYGWGHQRIWNNX-QAPCUYQASA-N 1 0 343.427 2.613 20 5 EFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000191247766 473518023 /nfs/dbraw/zinc/51/80/23/473518023.db2.gz RSKDTYNFZSTTNO-UHFFFAOYSA-N 1 0 331.372 2.517 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000152045301 473519470 /nfs/dbraw/zinc/51/94/70/473519470.db2.gz HDRKWOZTLUJLTK-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126485295 473520025 /nfs/dbraw/zinc/52/00/25/473520025.db2.gz LISQOMJNBYAQND-LBPRGKRZSA-N 1 0 337.445 2.557 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126687508 473537168 /nfs/dbraw/zinc/53/71/68/473537168.db2.gz XNKVMUKFADLWRX-LRDDRELGSA-N 1 0 347.390 2.823 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000152400126 473558562 /nfs/dbraw/zinc/55/85/62/473558562.db2.gz VKRDLHVNRYONBS-INIZCTEOSA-N 1 0 343.383 2.684 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCOC1 ZINC000178780218 473561261 /nfs/dbraw/zinc/56/12/61/473561261.db2.gz NHJOAVPLDTXCHA-CYBMUJFWSA-N 1 0 331.372 2.761 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000152433617 473563083 /nfs/dbraw/zinc/56/30/83/473563083.db2.gz MNBKQSMTSAMQOJ-CZUORRHYSA-N 1 0 332.404 2.851 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126995079 473566979 /nfs/dbraw/zinc/56/69/79/473566979.db2.gz DFFSJZBNGYBNAQ-KIUWMYQTSA-N 1 0 329.400 2.552 20 5 EFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c1C ZINC000191678935 473568154 /nfs/dbraw/zinc/56/81/54/473568154.db2.gz MQONIEWUMULHPM-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000152494047 473569594 /nfs/dbraw/zinc/56/95/94/473569594.db2.gz BQKAOLVPWJZFKG-GFCCVEGCSA-N 1 0 335.433 2.820 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639894 473570546 /nfs/dbraw/zinc/57/05/46/473570546.db2.gz WYMJWZXEDHEQSA-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000191716373 473571543 /nfs/dbraw/zinc/57/15/43/473571543.db2.gz JHAQBIRTWKMALB-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000178881998 473583295 /nfs/dbraw/zinc/58/32/95/473583295.db2.gz PGLVIWMLXDNBHO-MRXNPFEDSA-N 1 0 348.447 2.762 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170719369 473595040 /nfs/dbraw/zinc/59/50/40/473595040.db2.gz WQSXTCMBIBCMJU-LBPRGKRZSA-N 1 0 338.795 2.950 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152826087 473595666 /nfs/dbraw/zinc/59/56/66/473595666.db2.gz FZJMMWMPIPOAKT-CYBMUJFWSA-N 1 0 344.415 2.609 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000152905303 473599709 /nfs/dbraw/zinc/59/97/09/473599709.db2.gz MNXJEBOMYQZONA-CQSZACIVSA-N 1 0 329.356 2.565 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000127343546 473601838 /nfs/dbraw/zinc/60/18/38/473601838.db2.gz OAIJAZBUEIGBSC-CQSZACIVSA-N 1 0 337.420 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCOC3)s2)cc1 ZINC000179025891 473614635 /nfs/dbraw/zinc/61/46/35/473614635.db2.gz BEBVGBKWEXRMOM-INIZCTEOSA-N 1 0 334.397 2.564 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172511342 473628916 /nfs/dbraw/zinc/62/89/16/473628916.db2.gz GGAOXDIPAYFWDZ-CQSZACIVSA-N 1 0 337.807 2.949 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116127656 473629430 /nfs/dbraw/zinc/62/94/30/473629430.db2.gz RCNMDOYNIPUGQX-HNNXBMFYSA-N 1 0 337.420 2.700 20 5 EFBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000170917193 473645391 /nfs/dbraw/zinc/64/53/91/473645391.db2.gz RRFJWMUFEYPWOT-CYBMUJFWSA-N 1 0 331.372 2.903 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127822430 473654268 /nfs/dbraw/zinc/65/42/68/473654268.db2.gz ANQMWYVIGFLZAX-CQSZACIVSA-N 1 0 349.431 2.581 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCSCC2)ncn1 ZINC000192275305 473661498 /nfs/dbraw/zinc/66/14/98/473661498.db2.gz XVKPLSSOLMUMIY-UHFFFAOYSA-N 1 0 345.428 2.574 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154052945 473664175 /nfs/dbraw/zinc/66/41/75/473664175.db2.gz NEEKCTVABODOJU-KRWDZBQOSA-N 1 0 346.431 2.581 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000154074422 473666782 /nfs/dbraw/zinc/66/67/82/473666782.db2.gz RYWMHCXZFVCSAT-QGZVFWFLSA-N 1 0 330.384 2.775 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000172700774 473673449 /nfs/dbraw/zinc/67/34/49/473673449.db2.gz GKHFNVUFPXTKDO-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186481786 473680266 /nfs/dbraw/zinc/68/02/66/473680266.db2.gz LPDRVFVCANJBLH-PXAZEXFGSA-N 1 0 342.399 2.598 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000192507584 473687229 /nfs/dbraw/zinc/68/72/29/473687229.db2.gz UOLKUQHTCREYCZ-FZKQIMNGSA-N 1 0 327.384 2.955 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000172834552 473690796 /nfs/dbraw/zinc/69/07/96/473690796.db2.gz GFNWKMMCVMDHIS-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172839407 473691248 /nfs/dbraw/zinc/69/12/48/473691248.db2.gz HMZBBHXVMGSTLY-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172835957 473691254 /nfs/dbraw/zinc/69/12/54/473691254.db2.gz IETIBRPJUMFIKA-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000192588275 473694169 /nfs/dbraw/zinc/69/41/69/473694169.db2.gz WTSVUSZDTYDIFX-UHFFFAOYSA-N 1 0 345.443 2.908 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186614496 473700019 /nfs/dbraw/zinc/70/00/19/473700019.db2.gz JJJIGLZSMVOOQR-RBUKOAKNSA-N 1 0 340.379 2.760 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269132529 473705071 /nfs/dbraw/zinc/70/50/71/473705071.db2.gz BUBJOKXXQJXZEW-ZDUSSCGKSA-N 1 0 335.404 2.542 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269132523 473705211 /nfs/dbraw/zinc/70/52/11/473705211.db2.gz BUBJOKXXQJXZEW-CYBMUJFWSA-N 1 0 335.404 2.542 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262648297 473706252 /nfs/dbraw/zinc/70/62/52/473706252.db2.gz WESKDFGBXAALEO-HUBLWGQQSA-N 1 0 337.445 2.709 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000172968639 473716156 /nfs/dbraw/zinc/71/61/56/473716156.db2.gz VYGIVDJWRBNCMZ-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000281429115 473718351 /nfs/dbraw/zinc/71/83/51/473718351.db2.gz PDXVKLNCICMAOZ-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000172981469 473719293 /nfs/dbraw/zinc/71/92/93/473719293.db2.gz GJVKHOWVVSFIAF-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793424 473728042 /nfs/dbraw/zinc/72/80/42/473728042.db2.gz JOVUCLYWZPOKAX-ZWKOTPCHSA-N 1 0 346.431 2.919 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192799214 473728292 /nfs/dbraw/zinc/72/82/92/473728292.db2.gz SWDYRKRKWBGNDM-AAEUAGOBSA-N 1 0 349.387 2.773 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000173030758 473729266 /nfs/dbraw/zinc/72/92/66/473729266.db2.gz FMDVRMNATTYGHA-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000269204578 473731401 /nfs/dbraw/zinc/73/14/01/473731401.db2.gz PPFFFNIDKKGEJG-HIFRSBDPSA-N 1 0 342.399 2.632 20 5 EFBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269230630 473740619 /nfs/dbraw/zinc/74/06/19/473740619.db2.gz VOTRRDYLPYXPRB-VHSXEESVSA-N 1 0 345.321 2.732 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000192884659 473741970 /nfs/dbraw/zinc/74/19/70/473741970.db2.gz MBEXJAJTXVCAPB-KDOFPFPSSA-N 1 0 333.432 2.530 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000269249379 473748791 /nfs/dbraw/zinc/74/87/91/473748791.db2.gz FTSJYWUTZJHFKS-HNNXBMFYSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000173197314 473768419 /nfs/dbraw/zinc/76/84/19/473768419.db2.gz SAEQNIFRQJFEBZ-KBXCAEBGSA-N 1 0 333.432 2.764 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000281581334 473772389 /nfs/dbraw/zinc/77/23/89/473772389.db2.gz BNNPZAXYVGOUEM-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000281605974 473782181 /nfs/dbraw/zinc/78/21/81/473782181.db2.gz DTCBHKZGYBIIDP-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173275617 473790207 /nfs/dbraw/zinc/79/02/07/473790207.db2.gz SSJRIXYXTRIJSR-AWEZNQCLSA-N 1 0 347.415 2.598 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000173279507 473792448 /nfs/dbraw/zinc/79/24/48/473792448.db2.gz OPKFNLGHFIJMJP-MRXNPFEDSA-N 1 0 331.416 2.898 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000281655536 473796573 /nfs/dbraw/zinc/79/65/73/473796573.db2.gz KJJSCUCRFPLMJV-YPMHNXCESA-N 1 0 339.367 2.562 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000274377699 473799414 /nfs/dbraw/zinc/79/94/14/473799414.db2.gz LZXGXBKKJDQXNY-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)cc1Cl ZINC000269406430 473802828 /nfs/dbraw/zinc/80/28/28/473802828.db2.gz YCKFJJQVBKXJTE-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000246257252 473807269 /nfs/dbraw/zinc/80/72/69/473807269.db2.gz KNUZYVPYNTZQRQ-SWLSCSKDSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@H](CCC1CC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274418305 473814930 /nfs/dbraw/zinc/81/49/30/473814930.db2.gz HTWGAEPEFRMTGW-GFCCVEGCSA-N 1 0 326.418 2.537 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263712084 473816340 /nfs/dbraw/zinc/81/63/40/473816340.db2.gz KJCGGWXKHGARRS-INIZCTEOSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000193970458 473823998 /nfs/dbraw/zinc/82/39/98/473823998.db2.gz IHUBSOVCQSVKNV-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1(C)C ZINC000281744233 473825198 /nfs/dbraw/zinc/82/51/98/473825198.db2.gz XGQMOTWBIYCIPU-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCC1 ZINC000263749002 473833609 /nfs/dbraw/zinc/83/36/09/473833609.db2.gz SIAJNAIWOAFDFT-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1[N+](=O)[O-] ZINC000269573414 473836407 /nfs/dbraw/zinc/83/64/07/473836407.db2.gz BUCNRWRFVSVORD-UHFFFAOYSA-N 1 0 343.387 2.850 20 5 EFBDRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173442282 473839315 /nfs/dbraw/zinc/83/93/15/473839315.db2.gz QVDMOOIKIKZIJQ-ZOODHJKOSA-N 1 0 326.418 2.601 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](CC4CC4)CC3)cc2N1 ZINC000194090250 473841291 /nfs/dbraw/zinc/84/12/91/473841291.db2.gz WHPVMCIXESXVFB-UHFFFAOYSA-N 1 0 344.415 2.766 20 5 EFBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCCC1 ZINC000263775667 473844486 /nfs/dbraw/zinc/84/44/86/473844486.db2.gz XPDZCTXDROEQEZ-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000288089509 473844670 /nfs/dbraw/zinc/84/46/70/473844670.db2.gz ZUPJNTCGRGDIEU-LBPRGKRZSA-N 1 0 345.403 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)nc1 ZINC000173465255 473845710 /nfs/dbraw/zinc/84/57/10/473845710.db2.gz DZBRDLVOEQXJQB-OAHLLOKOSA-N 1 0 340.383 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)nc1 ZINC000173465239 473845922 /nfs/dbraw/zinc/84/59/22/473845922.db2.gz DZBRDLVOEQXJQB-HNNXBMFYSA-N 1 0 340.383 2.611 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000269648561 473850553 /nfs/dbraw/zinc/85/05/53/473850553.db2.gz CWXLELPPSQMCAV-MRXNPFEDSA-N 1 0 331.416 2.533 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269658489 473855936 /nfs/dbraw/zinc/85/59/36/473855936.db2.gz JKPGCKNYKAXSDR-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187321366 473857227 /nfs/dbraw/zinc/85/72/27/473857227.db2.gz RPUWYYGWEDKYAD-AWEZNQCLSA-N 1 0 349.431 2.939 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274520708 473860432 /nfs/dbraw/zinc/86/04/32/473860432.db2.gz WOCXFONYUXYVOC-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000269693249 473862847 /nfs/dbraw/zinc/86/28/47/473862847.db2.gz WPUYVHYUZOPKLJ-UHFFFAOYSA-N 1 0 346.475 2.585 20 5 EFBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCC1CC1 ZINC000180385737 473864564 /nfs/dbraw/zinc/86/45/64/473864564.db2.gz ANNZBPPMACXFGD-UHFFFAOYSA-N 1 0 345.424 2.939 20 5 EFBDRO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000173528148 473867247 /nfs/dbraw/zinc/86/72/47/473867247.db2.gz DEUJGDFKLZXELR-WFASDCNBSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000173528134 473867260 /nfs/dbraw/zinc/86/72/60/473867260.db2.gz DEUJGDFKLZXELR-DOMZBBRYSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000269701396 473867470 /nfs/dbraw/zinc/86/74/70/473867470.db2.gz LZOPXBRSVOWSHG-KRWDZBQOSA-N 1 0 344.415 2.582 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263851539 473877332 /nfs/dbraw/zinc/87/73/32/473877332.db2.gz VKKRWSISEOOTLA-JEJOPICUSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180436006 473877347 /nfs/dbraw/zinc/87/73/47/473877347.db2.gz DHZXIQHSQZDTDR-SWLSCSKDSA-N 1 0 336.413 2.885 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180443747 473879746 /nfs/dbraw/zinc/87/97/46/473879746.db2.gz FQTNOOAVONOHKR-SUMWQHHRSA-N 1 0 348.374 2.962 20 5 EFBDRO O=C(CC[N@@H+]1CCOC2(CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173580162 473882021 /nfs/dbraw/zinc/88/20/21/473882021.db2.gz MVJFKFMQLZSYJS-UHFFFAOYSA-N 1 0 347.415 2.959 20 5 EFBDRO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194354803 473885798 /nfs/dbraw/zinc/88/57/98/473885798.db2.gz WMXPIOGJUFGKDI-CQSZACIVSA-N 1 0 334.420 2.831 20 5 EFBDRO C[NH+]1CCN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000274597024 473888850 /nfs/dbraw/zinc/88/88/50/473888850.db2.gz LGBBYEVIHZWQEN-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000194416484 473895295 /nfs/dbraw/zinc/89/52/95/473895295.db2.gz OSBPHKWYJVMOTC-UHFFFAOYSA-N 1 0 331.328 2.844 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288315017 473905976 /nfs/dbraw/zinc/90/59/76/473905976.db2.gz ITASMULSNPZIPC-NSHDSACASA-N 1 0 335.433 2.910 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000246619689 473917412 /nfs/dbraw/zinc/91/74/12/473917412.db2.gz QLBWLWZICNVXRE-XJKSGUPXSA-N 1 0 330.388 2.883 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288369066 473923261 /nfs/dbraw/zinc/92/32/61/473923261.db2.gz LDFVIOJODLOJFQ-LLVKDONJSA-N 1 0 335.433 2.768 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000263969860 473923634 /nfs/dbraw/zinc/92/36/34/473923634.db2.gz WOEDCZZUPYCZFV-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000173769993 473928162 /nfs/dbraw/zinc/92/81/62/473928162.db2.gz MDVDDENDEXUZQP-NEPJUHHUSA-N 1 0 326.418 2.808 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000274713171 473929878 /nfs/dbraw/zinc/92/98/78/473929878.db2.gz YSKNJVXDXUQMTQ-GJZGRUSLSA-N 1 0 325.409 2.750 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000288408513 473933774 /nfs/dbraw/zinc/93/37/74/473933774.db2.gz NEJFHNNAQJFSFX-UHFFFAOYSA-N 1 0 325.368 2.551 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000264037761 473946150 /nfs/dbraw/zinc/94/61/50/473946150.db2.gz OWTCUPZXZPMCNC-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccco1 ZINC000180714883 473948991 /nfs/dbraw/zinc/94/89/91/473948991.db2.gz NNXHJQOGNINSOB-AWEZNQCLSA-N 1 0 346.387 2.583 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000194763229 473950514 /nfs/dbraw/zinc/95/05/14/473950514.db2.gz IBSKOEZZUQTJPA-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270022634 473957692 /nfs/dbraw/zinc/95/76/92/473957692.db2.gz FPLOCHISJKLSFM-AWEZNQCLSA-N 1 0 332.404 2.790 20 5 EFBDRO CSc1cccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188058922 473966591 /nfs/dbraw/zinc/96/65/91/473966591.db2.gz PXULZZGFCNUPHI-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000274812979 473969739 /nfs/dbraw/zinc/96/97/39/473969739.db2.gz NBHKRQDCHCFAHP-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CSc1cccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188069728 473970711 /nfs/dbraw/zinc/97/07/11/473970711.db2.gz GZMYEYYOGJHTDZ-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO CSc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188069758 473970724 /nfs/dbraw/zinc/97/07/24/473970724.db2.gz GZMYEYYOGJHTDZ-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270067737 473977115 /nfs/dbraw/zinc/97/71/15/473977115.db2.gz GLCWFOOBWQDLSY-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000194936179 473978510 /nfs/dbraw/zinc/97/85/10/473978510.db2.gz IEFPJUXKGJMDLH-ZBFHGGJFSA-N 1 0 343.427 2.992 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270083922 473983146 /nfs/dbraw/zinc/98/31/46/473983146.db2.gz NJRPERSOBSDEOP-AWEZNQCLSA-N 1 0 332.404 2.790 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000188119210 473990130 /nfs/dbraw/zinc/99/01/30/473990130.db2.gz XXKGUNCNEUETTP-LBPRGKRZSA-N 1 0 335.429 2.627 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880934 473990958 /nfs/dbraw/zinc/99/09/58/473990958.db2.gz LJUMBNFPAVPCQL-CABCVRRESA-N 1 0 348.447 2.504 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246885290 473992738 /nfs/dbraw/zinc/99/27/38/473992738.db2.gz IIWSUUNSSNDXOD-XHDPSFHLSA-N 1 0 337.807 2.805 20 5 EFBDRO CC[N@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282244668 473995148 /nfs/dbraw/zinc/99/51/48/473995148.db2.gz ATQYLQNKTQMYEJ-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000180966149 473995530 /nfs/dbraw/zinc/99/55/30/473995530.db2.gz JACMPQDBDVJDQR-CYBMUJFWSA-N 1 0 339.399 2.728 20 5 EFBDRO CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288620709 474002530 /nfs/dbraw/zinc/00/25/30/474002530.db2.gz XSXNZQAHZNNXAR-JTQLQIEISA-N 1 0 345.321 2.780 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264467855 474003378 /nfs/dbraw/zinc/00/33/78/474003378.db2.gz MOQPBTCJLJWJGW-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO Cn1cc(C[NH2+]CCOCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264485219 474009780 /nfs/dbraw/zinc/00/97/80/474009780.db2.gz MSIUMJWSEHHEFJ-UHFFFAOYSA-N 1 0 330.388 2.512 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264488882 474010952 /nfs/dbraw/zinc/01/09/52/474010952.db2.gz IYKWYLANWKDPSP-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264512125 474018762 /nfs/dbraw/zinc/01/87/62/474018762.db2.gz TVCXMWKKEYYZMP-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO CO[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000282338718 474028007 /nfs/dbraw/zinc/02/80/07/474028007.db2.gz LZEFANRTIQONFL-JQWIXIFHSA-N 1 0 341.795 2.686 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000270234628 474039001 /nfs/dbraw/zinc/03/90/01/474039001.db2.gz OGJOWOMJICZDAA-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181501792 474040854 /nfs/dbraw/zinc/04/08/54/474040854.db2.gz OBSIPPBYPPUYDR-HIFRSBDPSA-N 1 0 331.416 2.978 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270240501 474040974 /nfs/dbraw/zinc/04/09/74/474040974.db2.gz WMOQSBDEGVEBEL-OAHLLOKOSA-N 1 0 333.432 2.909 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181545320 474047220 /nfs/dbraw/zinc/04/72/20/474047220.db2.gz SGROEXFFDWIEPA-RYUDHWBXSA-N 1 0 329.356 2.978 20 5 EFBDRO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282394324 474047869 /nfs/dbraw/zinc/04/78/69/474047869.db2.gz HCZZSQZYMOVKKR-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282405087 474052724 /nfs/dbraw/zinc/05/27/24/474052724.db2.gz IAIJEHJOASXCNI-UHFFFAOYSA-N 1 0 341.383 2.593 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1Br ZINC000275054172 474054210 /nfs/dbraw/zinc/05/42/10/474054210.db2.gz MSCILOSTWDSHKU-WCQYABFASA-N 1 0 343.221 2.998 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000288796450 474054937 /nfs/dbraw/zinc/05/49/37/474054937.db2.gz GGWYLYWPOIEMAU-UHFFFAOYSA-N 1 0 349.410 2.827 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000264607725 474058166 /nfs/dbraw/zinc/05/81/66/474058166.db2.gz GYHBOLXSSWRFPX-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174543311 474059590 /nfs/dbraw/zinc/05/95/90/474059590.db2.gz KSQCBIFQYBBRAP-FDMDGMSGSA-N 1 0 343.427 2.942 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000174544343 474059600 /nfs/dbraw/zinc/05/96/00/474059600.db2.gz ZGRYRNGNWUXBTB-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270291663 474060398 /nfs/dbraw/zinc/06/03/98/474060398.db2.gz XBAVMVFSRCWDPM-INIZCTEOSA-N 1 0 331.416 2.707 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc(F)cc1 ZINC000282445912 474069064 /nfs/dbraw/zinc/06/90/64/474069064.db2.gz LLCNEUKAUDJPCD-KRWDZBQOSA-N 1 0 348.374 2.648 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181917041 474069815 /nfs/dbraw/zinc/06/98/15/474069815.db2.gz SIBWRAJJPYPIRN-UHFFFAOYSA-N 1 0 349.431 2.885 20 5 EFBDRO CC(=O)NCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000282468271 474076507 /nfs/dbraw/zinc/07/65/07/474076507.db2.gz KNJFIIBWKXWPBA-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195448491 474077107 /nfs/dbraw/zinc/07/71/07/474077107.db2.gz LZRGBYWTJWBVDN-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cccc(NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000188388687 474079745 /nfs/dbraw/zinc/07/97/45/474079745.db2.gz SXOMDMHGWLWCNR-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO NC(=O)C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182016869 474081633 /nfs/dbraw/zinc/08/16/33/474081633.db2.gz SJSJCYBCKUSXKE-KRWDZBQOSA-N 1 0 349.431 2.778 20 5 EFBDRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000195485811 474082549 /nfs/dbraw/zinc/08/25/49/474082549.db2.gz FBSRPVQPQMRKCX-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CCC(CC)(CCO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282506685 474092195 /nfs/dbraw/zinc/09/21/95/474092195.db2.gz RNNBVLRMKNRFSH-UHFFFAOYSA-N 1 0 334.376 2.676 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188433774 474093356 /nfs/dbraw/zinc/09/33/56/474093356.db2.gz WDUNODVRROEXDG-CQSZACIVSA-N 1 0 349.431 2.716 20 5 EFBDRO CCC[C@]1(CO)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288949920 474101430 /nfs/dbraw/zinc/10/14/30/474101430.db2.gz XKYSFXGLWXLXBH-KSSFIOAISA-N 1 0 349.431 2.715 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275209633 474104969 /nfs/dbraw/zinc/10/49/69/474104969.db2.gz JMCQISHHNZRVJI-UONOGXRCSA-N 1 0 341.795 2.734 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000275214860 474106178 /nfs/dbraw/zinc/10/61/78/474106178.db2.gz KGRRBXLZYUBQSI-HOCLYGCPSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000182137151 474107160 /nfs/dbraw/zinc/10/71/60/474107160.db2.gz NUXNLHOSOXBIDF-OCCSQVGLSA-N 1 0 341.839 2.525 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247290372 474109480 /nfs/dbraw/zinc/10/94/80/474109480.db2.gz KTHWCFSHYSYZAT-CABCVRRESA-N 1 0 348.447 2.933 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCC1 ZINC000247295439 474111564 /nfs/dbraw/zinc/11/15/64/474111564.db2.gz CMKYUZWQQMAMOH-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000264753539 474115627 /nfs/dbraw/zinc/11/56/27/474115627.db2.gz SUXAHSMUJVHDRB-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000174976222 474125405 /nfs/dbraw/zinc/12/54/05/474125405.db2.gz CFPPKRQEASYLFS-PJZFAXFVSA-N 1 0 329.400 2.693 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182222967 474126541 /nfs/dbraw/zinc/12/65/41/474126541.db2.gz URRMXYFKQQLPKR-UONOGXRCSA-N 1 0 340.445 2.552 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264814387 474136635 /nfs/dbraw/zinc/13/66/35/474136635.db2.gz WFMUPJGRQQWPII-ZDUSSCGKSA-N 1 0 330.388 2.680 20 5 EFBDRO CC(C)C[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289071867 474139857 /nfs/dbraw/zinc/13/98/57/474139857.db2.gz AJJJQGJNHABWAE-ZDUSSCGKSA-N 1 0 328.434 2.640 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282671292 474150728 /nfs/dbraw/zinc/15/07/28/474150728.db2.gz GYBYEMSMGMRVMD-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000221630917 474163605 /nfs/dbraw/zinc/16/36/05/474163605.db2.gz DPYACWXVKWYUKW-SECBINFHSA-N 1 0 331.214 2.895 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000182389141 474163634 /nfs/dbraw/zinc/16/36/34/474163634.db2.gz RAGMLYGYFQIZHO-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182394295 474165850 /nfs/dbraw/zinc/16/58/50/474165850.db2.gz HBHXYUBKTGALCP-GDBMZVCRSA-N 1 0 330.384 2.994 20 5 EFBDRO COCCC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000270563834 474170900 /nfs/dbraw/zinc/17/09/00/474170900.db2.gz MAKNYRBDCHCKAF-UHFFFAOYSA-N 1 0 341.383 2.655 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000270603728 474187485 /nfs/dbraw/zinc/18/74/85/474187485.db2.gz HEINFLJMGDKVSP-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])o3)C1)CCCC2 ZINC000275448841 474189872 /nfs/dbraw/zinc/18/98/72/474189872.db2.gz WAEVJSZMVHBAQE-GFCCVEGCSA-N 1 0 344.371 2.659 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000282793388 474197709 /nfs/dbraw/zinc/19/77/09/474197709.db2.gz HMGWFIYVHWAMJP-QWHCGFSZSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000247744756 474206670 /nfs/dbraw/zinc/20/66/70/474206670.db2.gz XUDBRRYIZXEWBM-TZMCWYRMSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[C@@H](O)C3)cs2)c1 ZINC000188846996 474214475 /nfs/dbraw/zinc/21/44/75/474214475.db2.gz XAJNOTXOSKWBHV-XHDPSFHLSA-N 1 0 333.413 2.969 20 5 EFBDRO Cc1cccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000275513373 474216753 /nfs/dbraw/zinc/21/67/53/474216753.db2.gz VDHJMZCXBHBNDS-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO CC(C)n1c(Sc2ncccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265454819 474221102 /nfs/dbraw/zinc/22/11/02/474221102.db2.gz LMJNCRDBCCNXIB-NSHDSACASA-N 1 0 348.432 2.780 20 5 EFBDRO Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000275531144 474224795 /nfs/dbraw/zinc/22/47/95/474224795.db2.gz YBXYWASFZFBCBJ-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000247971051 474235258 /nfs/dbraw/zinc/23/52/58/474235258.db2.gz HQIKAGHFDVKPHB-LPHOPBHVSA-N 1 0 342.395 2.954 20 5 EFBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000226357223 474241154 /nfs/dbraw/zinc/24/11/54/474241154.db2.gz LVDUOSSHNGZKRJ-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182722754 474241500 /nfs/dbraw/zinc/24/15/00/474241500.db2.gz GEMYVWXPWMSMAD-CHWSQXEVSA-N 1 0 331.416 2.898 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000282927191 474244399 /nfs/dbraw/zinc/24/43/99/474244399.db2.gz WYLSIRGVPRYTFC-BBRMVZONSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000188962311 474246722 /nfs/dbraw/zinc/24/67/22/474246722.db2.gz JVQGIEPQLUMRKU-ZIAGYGMSSA-N 1 0 335.404 2.514 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228017276 474247434 /nfs/dbraw/zinc/24/74/34/474247434.db2.gz JDPPLOMQCIQSNR-VHSXEESVSA-N 1 0 343.225 2.624 20 5 EFBDRO COc1cc(C[NH2+]CC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289389668 474249623 /nfs/dbraw/zinc/24/96/23/474249623.db2.gz DTAPHTSVWAFDMP-INIZCTEOSA-N 1 0 346.383 2.825 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000248063909 474254116 /nfs/dbraw/zinc/25/41/16/474254116.db2.gz ZAHNDJMPCNGNBA-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000248108606 474261015 /nfs/dbraw/zinc/26/10/15/474261015.db2.gz GOURKMIFINRIPK-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO COc1cc(CN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000189005603 474262549 /nfs/dbraw/zinc/26/25/49/474262549.db2.gz WDZBPEXNNNXARV-UHFFFAOYSA-N 1 0 337.420 2.528 20 5 EFBDRO COc1ccc(NC(=O)CN2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289421446 474263769 /nfs/dbraw/zinc/26/37/69/474263769.db2.gz MSPZIMOPXPLEKE-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000231629289 474264018 /nfs/dbraw/zinc/26/40/18/474264018.db2.gz KMZJVJKAJLOZGX-SNVBAGLBSA-N 1 0 343.225 2.895 20 5 EFBDRO COc1ccc(NC(=O)CN2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289421448 474264253 /nfs/dbraw/zinc/26/42/53/474264253.db2.gz MSPZIMOPXPLEKE-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000231628924 474264528 /nfs/dbraw/zinc/26/45/28/474264528.db2.gz GONNKBHGXIRCHU-VIFPVBQESA-N 1 0 341.209 2.649 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000275658962 474269759 /nfs/dbraw/zinc/26/97/59/474269759.db2.gz NWKVKSLWZSJOJH-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182848325 474269910 /nfs/dbraw/zinc/26/99/10/474269910.db2.gz BDXDSHBWZHMFOP-STQMWFEESA-N 1 0 346.431 2.560 20 5 EFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275660300 474270620 /nfs/dbraw/zinc/27/06/20/474270620.db2.gz LMCQHEJIDNJOMN-CYBMUJFWSA-N 1 0 335.407 2.775 20 5 EFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000275662328 474271277 /nfs/dbraw/zinc/27/12/77/474271277.db2.gz VCTNYADBVWGFAI-VCUNKILJSA-N 1 0 342.399 2.851 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850797 474271522 /nfs/dbraw/zinc/27/15/22/474271522.db2.gz HGTUKRJTNSGQBJ-CHWSQXEVSA-N 1 0 346.431 2.560 20 5 EFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F ZINC000608781977 480092536 /nfs/dbraw/zinc/09/25/36/480092536.db2.gz VTMPDKOVPSZUHS-UHFFFAOYSA-N 1 0 331.347 2.895 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000270810934 474275944 /nfs/dbraw/zinc/27/59/44/474275944.db2.gz LYWDWXFMNIHSQT-UHFFFAOYSA-N 1 0 342.399 2.699 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccnc1 ZINC000182889589 474279983 /nfs/dbraw/zinc/27/99/83/474279983.db2.gz NLLUVZNUIPRRAG-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccnc(NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000265656084 474284949 /nfs/dbraw/zinc/28/49/49/474284949.db2.gz WFPUEAHLZNZACM-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000275730051 474298068 /nfs/dbraw/zinc/29/80/68/474298068.db2.gz ZSNHXVJGPMBQHY-TWZYUJDSSA-N 1 0 342.399 2.944 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000248375623 474299947 /nfs/dbraw/zinc/29/99/47/474299947.db2.gz XJXFRFMSKHJETK-XHSDSOJGSA-N 1 0 334.416 2.989 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]21 ZINC000248417178 474315592 /nfs/dbraw/zinc/31/55/92/474315592.db2.gz JHPIIKDHHKWCBP-XOKHGSTOSA-N 1 0 343.427 2.994 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000283148352 474319797 /nfs/dbraw/zinc/31/97/97/474319797.db2.gz BSMCQXCLWVKUIL-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CC(C)N1CC[NH+](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270917019 474320392 /nfs/dbraw/zinc/32/03/92/474320392.db2.gz OPGGAKPIFVWCLK-UHFFFAOYSA-N 1 0 346.475 2.585 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c2c(c1)COCO2 ZINC000189196922 474322246 /nfs/dbraw/zinc/32/22/46/474322246.db2.gz PCCOISYMYYBFFU-QGZVFWFLSA-N 1 0 348.399 2.852 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000175844556 474323123 /nfs/dbraw/zinc/32/31/23/474323123.db2.gz VZIPZPCNQFCOTN-UONOGXRCSA-N 1 0 346.431 2.748 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000265761127 474326129 /nfs/dbraw/zinc/32/61/29/474326129.db2.gz KIGSFWQCJSHMAN-CVEARBPZSA-N 1 0 331.416 2.615 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000270930297 474326396 /nfs/dbraw/zinc/32/63/96/474326396.db2.gz HRYWJPRCXAWYRT-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450281 474326776 /nfs/dbraw/zinc/32/67/76/474326776.db2.gz IOHKXDGPZSCPAL-CVEARBPZSA-N 1 0 345.399 2.813 20 5 EFBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265766867 474328443 /nfs/dbraw/zinc/32/84/43/474328443.db2.gz LEJBTZTVSZHLNV-GFCCVEGCSA-N 1 0 336.413 2.810 20 5 EFBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773494 474331786 /nfs/dbraw/zinc/33/17/86/474331786.db2.gz JCBHCDIZEJWNFH-NWDGAFQWSA-N 1 0 332.360 2.674 20 5 EFBDRO C[S@@](=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183120120 474333324 /nfs/dbraw/zinc/33/33/24/474333324.db2.gz KTUGMBCEDJSHMU-OYLFLEFRSA-N 1 0 348.424 2.683 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476399 474336381 /nfs/dbraw/zinc/33/63/81/474336381.db2.gz YEJNDFXOKILDQZ-FXUDXRNXSA-N 1 0 334.416 2.988 20 5 EFBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475241 474336531 /nfs/dbraw/zinc/33/65/31/474336531.db2.gz XQHDITZMMRJCME-GOEBONIOSA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475240 474336618 /nfs/dbraw/zinc/33/66/18/474336618.db2.gz XQHDITZMMRJCME-GDBMZVCRSA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000283222490 474343656 /nfs/dbraw/zinc/34/36/56/474343656.db2.gz HZZJZTDNBQUHKX-CQSZACIVSA-N 1 0 349.431 2.939 20 5 EFBDRO Cc1c(CC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183168351 474343761 /nfs/dbraw/zinc/34/37/61/474343761.db2.gz QRFYHYAYRZKSKV-CQSZACIVSA-N 1 0 333.432 2.826 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283237714 474347504 /nfs/dbraw/zinc/34/75/04/474347504.db2.gz JCILYUJWQXGMDD-GFCCVEGCSA-N 1 0 325.434 2.997 20 5 EFBDRO COc1cc(CN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000270983112 474353097 /nfs/dbraw/zinc/35/30/97/474353097.db2.gz DWQSYHCDVXDIGX-UHFFFAOYSA-N 1 0 337.420 2.528 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000237185814 474354560 /nfs/dbraw/zinc/35/45/60/474354560.db2.gz TXCLTUIFCJNCGF-HUUCEWRRSA-N 1 0 349.387 2.618 20 5 EFBDRO CC1CC[NH+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265839065 474357411 /nfs/dbraw/zinc/35/74/11/474357411.db2.gz VFZALPGHYFLOFJ-UHFFFAOYSA-N 1 0 333.432 2.721 20 5 EFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324774 474359478 /nfs/dbraw/zinc/35/94/78/474359478.db2.gz ROUKGUQHNQGBLN-KBPBESRZSA-N 1 0 333.413 2.967 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189324796 474360077 /nfs/dbraw/zinc/36/00/77/474360077.db2.gz ROUKGUQHNQGBLN-ZIAGYGMSSA-N 1 0 333.413 2.967 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1CC[NH2+]CC1 ZINC000237255771 474368511 /nfs/dbraw/zinc/36/85/11/474368511.db2.gz MYFIJJVQJPHVMB-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000237266507 474370520 /nfs/dbraw/zinc/37/05/20/474370520.db2.gz DXZWUYLWNYPRRC-AWEZNQCLSA-N 1 0 349.387 2.598 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176131163 474389926 /nfs/dbraw/zinc/38/99/26/474389926.db2.gz UIMXARXKHWHSFZ-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183536356 474390848 /nfs/dbraw/zinc/39/08/48/474390848.db2.gz YHBJYQHLBNTRNR-TZMCWYRMSA-N 1 0 344.371 2.558 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237380702 474392834 /nfs/dbraw/zinc/39/28/34/474392834.db2.gz SKLVJXZVUZIYLA-HIFRSBDPSA-N 1 0 346.431 2.537 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000183575915 474394772 /nfs/dbraw/zinc/39/47/72/474394772.db2.gz YXVKUBPDDSGLAS-CQSZACIVSA-N 1 0 347.350 2.553 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189434099 474395175 /nfs/dbraw/zinc/39/51/75/474395175.db2.gz STDNHUKSWBUWLS-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CC(C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000183626782 474403252 /nfs/dbraw/zinc/40/32/52/474403252.db2.gz RMRSEDWLOHIMHY-OAHLLOKOSA-N 1 0 349.435 2.868 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189468021 474407299 /nfs/dbraw/zinc/40/72/99/474407299.db2.gz VGOQTXLVSQYCMG-QWHCGFSZSA-N 1 0 346.431 2.560 20 5 EFBDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176213642 474412362 /nfs/dbraw/zinc/41/23/62/474412362.db2.gz MUHKXSIEVUXJBD-UHFFFAOYSA-N 1 0 338.795 2.846 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 ZINC000176221072 474413836 /nfs/dbraw/zinc/41/38/36/474413836.db2.gz AETCIWIUJAPVSS-INIZCTEOSA-N 1 0 348.378 2.612 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000265987115 474415116 /nfs/dbraw/zinc/41/51/16/474415116.db2.gz DPUBXRRGFOSBIM-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237500238 474418410 /nfs/dbraw/zinc/41/84/10/474418410.db2.gz SULKAQYQVAIJGM-PWSUYJOCSA-N 1 0 346.412 2.670 20 5 EFBDRO Cc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000276122633 474424077 /nfs/dbraw/zinc/42/40/77/474424077.db2.gz BQUPEGSALSSSQS-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266280930 474427623 /nfs/dbraw/zinc/42/76/23/474427623.db2.gz GMTVTIGOHLHYIE-DCAQKATOSA-N 1 0 341.795 2.590 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000283543183 474430667 /nfs/dbraw/zinc/43/06/67/474430667.db2.gz SMCJXRVQHBZZMJ-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237579163 474433652 /nfs/dbraw/zinc/43/36/52/474433652.db2.gz ZTDBKJZRRHLLTH-CYBMUJFWSA-N 1 0 342.399 2.532 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271196843 474437406 /nfs/dbraw/zinc/43/74/06/474437406.db2.gz OQWSUGCTDMGNEG-QGZVFWFLSA-N 1 0 346.387 2.772 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000266680516 474446353 /nfs/dbraw/zinc/44/63/53/474446353.db2.gz CLSAPZROKPVFPP-HNNXBMFYSA-N 1 0 348.447 2.559 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000271230148 474453328 /nfs/dbraw/zinc/45/33/28/474453328.db2.gz CYONAWOCDOGREQ-WFASDCNBSA-N 1 0 331.416 2.733 20 5 EFBDRO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667440 474453517 /nfs/dbraw/zinc/45/35/17/474453517.db2.gz IOHFXCHRMXCKTD-KRWDZBQOSA-N 1 0 342.399 2.521 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000276261483 474473075 /nfs/dbraw/zinc/47/30/75/474473075.db2.gz RWJXZERKFRLQNL-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]([C@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276282776 474480811 /nfs/dbraw/zinc/48/08/11/474480811.db2.gz FSZFPRAOKGYEMG-CYBMUJFWSA-N 1 0 349.431 2.857 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+](C)C ZINC000271308061 474486490 /nfs/dbraw/zinc/48/64/90/474486490.db2.gz IAVFRLBCPZUFOA-AAEUAGOBSA-N 1 0 347.387 2.678 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225803 474487452 /nfs/dbraw/zinc/48/74/52/474487452.db2.gz XAYPEZWKWUIEKE-ZDUSSCGKSA-N 1 0 325.384 2.659 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237858454 474488263 /nfs/dbraw/zinc/48/82/63/474488263.db2.gz URXKZXRWPHZQKL-ZDUSSCGKSA-N 1 0 346.412 2.672 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000289949658 474499504 /nfs/dbraw/zinc/49/95/04/474499504.db2.gz XPDQMGZWEJTXRW-CZUORRHYSA-N 1 0 332.404 2.715 20 5 EFBDRO Cn1cc(C[NH2+]CC2(O)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237906587 474501074 /nfs/dbraw/zinc/50/10/74/474501074.db2.gz RERQUEYZUVUPQQ-UHFFFAOYSA-N 1 0 344.415 2.780 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000189917985 474505765 /nfs/dbraw/zinc/50/57/65/474505765.db2.gz PZULMNIPKGLCHX-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289972385 474508784 /nfs/dbraw/zinc/50/87/84/474508784.db2.gz XHCMMFAUHGTOMM-KCXAZCMYSA-N 1 0 347.415 2.811 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289973324 474509271 /nfs/dbraw/zinc/50/92/71/474509271.db2.gz RGZFGVJLIIOWED-CYBMUJFWSA-N 1 0 336.779 2.771 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289973328 474509687 /nfs/dbraw/zinc/50/96/87/474509687.db2.gz RGZFGVJLIIOWED-ZDUSSCGKSA-N 1 0 336.779 2.771 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176696847 474518861 /nfs/dbraw/zinc/51/88/61/474518861.db2.gz SLCZIBLQGRHNIN-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000276385394 474520740 /nfs/dbraw/zinc/52/07/40/474520740.db2.gz HIWWGTFLEAGOJG-UHFFFAOYSA-N 1 0 332.404 2.771 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000249121231 474531382 /nfs/dbraw/zinc/53/13/82/474531382.db2.gz HIKUWYCWOJZLFM-NEPJUHHUSA-N 1 0 335.429 2.625 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249131771 474534955 /nfs/dbraw/zinc/53/49/55/474534955.db2.gz LTJCLVVHMIKODL-GXTWGEPZSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266941435 474539929 /nfs/dbraw/zinc/53/99/29/474539929.db2.gz PWKRIHRJEOBACQ-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271432785 474545267 /nfs/dbraw/zinc/54/52/67/474545267.db2.gz BHINKUBQSLWRKM-ABAIWWIYSA-N 1 0 343.387 2.702 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271432792 474545571 /nfs/dbraw/zinc/54/55/71/474545571.db2.gz BHINKUBQSLWRKM-NHYWBVRUSA-N 1 0 343.387 2.702 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(N)=O)C1 ZINC000190145053 474553970 /nfs/dbraw/zinc/55/39/70/474553970.db2.gz HAQWTSLKAZGZTE-WBMJQRKESA-N 1 0 343.383 2.941 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000190144730 474554300 /nfs/dbraw/zinc/55/43/00/474554300.db2.gz DLGQQQJJMGEBFE-UHFFFAOYSA-N 1 0 334.420 2.612 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249363824 474560562 /nfs/dbraw/zinc/56/05/62/474560562.db2.gz VGJHCGRPPOYSDY-RYUDHWBXSA-N 1 0 328.438 2.600 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249363822 474560868 /nfs/dbraw/zinc/56/08/68/474560868.db2.gz VGJHCGRPPOYSDY-NWDGAFQWSA-N 1 0 328.438 2.600 20 5 EFBDRO C[C@@H](CO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000276485568 474561249 /nfs/dbraw/zinc/56/12/49/474561249.db2.gz UCSVWWNJEISOAA-LBPRGKRZSA-N 1 0 346.387 2.770 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCSC2)o1 ZINC000267005724 474562516 /nfs/dbraw/zinc/56/25/16/474562516.db2.gz FEZRMAVFLWJKIU-INIZCTEOSA-N 1 0 334.397 2.812 20 5 EFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000284105307 474573557 /nfs/dbraw/zinc/57/35/57/474573557.db2.gz BYGITWYGUZRKLC-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000249510120 474583396 /nfs/dbraw/zinc/58/33/96/474583396.db2.gz NVAWJOBVALTHEZ-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190351182 474584136 /nfs/dbraw/zinc/58/41/36/474584136.db2.gz JLIOPWLUYMIRDA-ZACQAIPSSA-N 1 0 342.399 2.652 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000267111857 474593031 /nfs/dbraw/zinc/59/30/31/474593031.db2.gz RGKIKDUBCSBKMX-HNNXBMFYSA-N 1 0 325.434 2.590 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000184727845 474596303 /nfs/dbraw/zinc/59/63/03/474596303.db2.gz AHJAFGKIJNFOAH-RDJZCZTQSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000249759861 474612303 /nfs/dbraw/zinc/61/23/03/474612303.db2.gz FXTDLSFYPWTLQH-ZNMIVQPWSA-N 1 0 348.447 2.760 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267190663 474614475 /nfs/dbraw/zinc/61/44/75/474614475.db2.gz MERKQKNYQJMYJJ-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000291547112 474616096 /nfs/dbraw/zinc/61/60/96/474616096.db2.gz AHYSLIXZPAGBMK-HOCLYGCPSA-N 1 0 346.431 2.756 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184828457 474616049 /nfs/dbraw/zinc/61/60/49/474616049.db2.gz FOHLLWMWOXWDLC-GJZGRUSLSA-N 1 0 335.404 2.516 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OCCO ZINC000291592358 474626542 /nfs/dbraw/zinc/62/65/42/474626542.db2.gz PXOUCTVDIDBZDP-UHFFFAOYSA-N 1 0 337.203 2.779 20 5 EFBDRO COc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000272860260 474627361 /nfs/dbraw/zinc/62/73/61/474627361.db2.gz RYBXYWSEFSBXNW-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO CC[N@@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000267252576 474628975 /nfs/dbraw/zinc/62/89/75/474628975.db2.gz URFLIQJACRMTDM-UHFFFAOYSA-N 1 0 341.415 2.892 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267260447 474631500 /nfs/dbraw/zinc/63/15/00/474631500.db2.gz WSESFJJMMBXRBZ-ZDUSSCGKSA-N 1 0 348.403 2.838 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272885036 474633793 /nfs/dbraw/zinc/63/37/93/474633793.db2.gz YMCQDPKVXMBLKQ-UONOGXRCSA-N 1 0 346.431 2.914 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(O)CC(OCC)C2)cc1[N+](=O)[O-] ZINC000278439871 474645339 /nfs/dbraw/zinc/64/53/39/474645339.db2.gz KGDDCBJUIYLYQX-MKQDKFQKSA-N 1 0 338.404 2.574 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000291679322 474647518 /nfs/dbraw/zinc/64/75/18/474647518.db2.gz XDOHQYNQNOUBAL-MWLCHTKSSA-N 1 0 349.214 2.636 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278453333 474647866 /nfs/dbraw/zinc/64/78/66/474647866.db2.gz XHWCXAMYEXZERP-UHFFFAOYSA-N 1 0 349.456 2.678 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278479869 474656030 /nfs/dbraw/zinc/65/60/30/474656030.db2.gz FHSVLHFWSBCPSV-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000272976229 474656358 /nfs/dbraw/zinc/65/63/58/474656358.db2.gz WZCGCBJCPNEYRJ-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291730273 474658917 /nfs/dbraw/zinc/65/89/17/474658917.db2.gz IGKCRKROUQGZRZ-WMLDXEAASA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[NH2+]C1 ZINC000272993322 474662204 /nfs/dbraw/zinc/66/22/04/474662204.db2.gz LGEHRKMIHKZAHE-MRXNPFEDSA-N 1 0 333.413 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1 ZINC000344349213 474674184 /nfs/dbraw/zinc/67/41/84/474674184.db2.gz VODZLJRQTOOGLG-HOTGVXAUSA-N 1 0 336.338 2.922 20 5 EFBDRO Cc1cc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000273019524 474674559 /nfs/dbraw/zinc/67/45/59/474674559.db2.gz RWFUMKIYLZWFBK-KRWDZBQOSA-N 1 0 330.388 2.539 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000291796121 474691440 /nfs/dbraw/zinc/69/14/40/474691440.db2.gz AHDBNTHIBFNIJI-RHSMWYFYSA-N 1 0 334.416 2.845 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273050941 474692095 /nfs/dbraw/zinc/69/20/95/474692095.db2.gz BNBKVUJSPMTQNZ-HNNXBMFYSA-N 1 0 345.374 2.913 20 5 EFBDRO CC[N@H+](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000278546208 474693309 /nfs/dbraw/zinc/69/33/09/474693309.db2.gz SRFYXPTWJYVSOA-UHFFFAOYSA-N 1 0 345.321 2.714 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305115038 474694515 /nfs/dbraw/zinc/69/45/15/474694515.db2.gz HOIMEOAHAOFTAR-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO Cn1cc(C[NH2+]C[C@]2(C)CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344369585 474695142 /nfs/dbraw/zinc/69/51/42/474695142.db2.gz CJSHHCVMIJZVPA-KRWDZBQOSA-N 1 0 330.388 2.512 20 5 EFBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278546818 474695080 /nfs/dbraw/zinc/69/50/80/474695080.db2.gz AXRARTBAPZGVBH-SJKOYZFVSA-N 1 0 348.424 2.953 20 5 EFBDRO Cc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000305152704 474704010 /nfs/dbraw/zinc/70/40/10/474704010.db2.gz UQKBHRYPVNTXMA-WBVHZDCISA-N 1 0 335.448 2.647 20 5 EFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292907018 474708755 /nfs/dbraw/zinc/70/87/55/474708755.db2.gz FDYAQXNYUHXCNT-UGSOOPFHSA-N 1 0 344.415 2.636 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284658919 474710078 /nfs/dbraw/zinc/71/00/78/474710078.db2.gz GIAPUNBYSPUXLX-JKSUJKDBSA-N 1 0 333.388 2.567 20 5 EFBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000284679316 474718506 /nfs/dbraw/zinc/71/85/06/474718506.db2.gz GXRBBKFRKNIRKT-HXUWFJFHSA-N 1 0 339.439 2.996 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1C1CC1 ZINC000267974058 474731733 /nfs/dbraw/zinc/73/17/33/474731733.db2.gz NBIIRAXATYLQOY-ZYHUDNBSSA-N 1 0 329.356 2.696 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292959674 474735825 /nfs/dbraw/zinc/73/58/25/474735825.db2.gz LHRGZLNAJZKBGB-INIZCTEOSA-N 1 0 325.359 2.791 20 5 EFBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292962623 474737104 /nfs/dbraw/zinc/73/71/04/474737104.db2.gz FUFGQSUEYNDVSP-OAHLLOKOSA-N 1 0 337.376 2.780 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344421118 474739634 /nfs/dbraw/zinc/73/96/34/474739634.db2.gz GXXKOVPFRYGCNC-XQQFMLRXSA-N 1 0 337.395 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1 ZINC000268018417 474754091 /nfs/dbraw/zinc/75/40/91/474754091.db2.gz HDEFOGPNKCFVQI-NSHDSACASA-N 1 0 333.417 2.650 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000344502230 474757391 /nfs/dbraw/zinc/75/73/91/474757391.db2.gz PNTZAAZJHWOEIX-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000305728679 474757910 /nfs/dbraw/zinc/75/79/10/474757910.db2.gz MNWYNNKTKIFCCL-CJNGLKHVSA-N 1 0 345.399 2.885 20 5 EFBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000273193010 474769069 /nfs/dbraw/zinc/76/90/69/474769069.db2.gz DAKDJUWKOPIIKI-HNNXBMFYSA-N 1 0 345.403 2.586 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293029571 474773457 /nfs/dbraw/zinc/77/34/57/474773457.db2.gz RLVVSGJGXIUHGL-SFHVURJKSA-N 1 0 333.432 2.911 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254939361 474774832 /nfs/dbraw/zinc/77/48/32/474774832.db2.gz HLCJNXKBIBYPPP-BLIJAFNYSA-N 1 0 331.416 2.941 20 5 EFBDRO CCOC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338954433 474774943 /nfs/dbraw/zinc/77/49/43/474774943.db2.gz PMVRLZKRDFZYPO-UHFFFAOYSA-N 1 0 334.294 2.999 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000293039427 474779645 /nfs/dbraw/zinc/77/96/45/474779645.db2.gz LXUGFKRPTJPRDO-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284807518 474781645 /nfs/dbraw/zinc/78/16/45/474781645.db2.gz PAOMISFJNSVABP-DLBZAZTESA-N 1 0 347.415 2.875 20 5 EFBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C1CC1 ZINC000268083609 474788840 /nfs/dbraw/zinc/78/88/40/474788840.db2.gz JCYGVEPWNVRLAJ-JTQLQIEISA-N 1 0 340.811 2.530 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293056562 474789566 /nfs/dbraw/zinc/78/95/66/474789566.db2.gz RXBUXKUKGSIEOW-MRXNPFEDSA-N 1 0 330.388 2.510 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291994602 474793344 /nfs/dbraw/zinc/79/33/44/474793344.db2.gz XBHYXBORXZVNPG-LJQANCHMSA-N 1 0 342.395 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291994599 474794006 /nfs/dbraw/zinc/79/40/06/474794006.db2.gz XBHYXBORXZVNPG-IBGZPJMESA-N 1 0 342.395 2.610 20 5 EFBDRO Cc1c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278721376 474795281 /nfs/dbraw/zinc/79/52/81/474795281.db2.gz RUGVQPWRRGHRKL-CQSZACIVSA-N 1 0 333.432 2.588 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000292002280 474797444 /nfs/dbraw/zinc/79/74/44/474797444.db2.gz VJGLPCRVPHJWQM-GFCCVEGCSA-N 1 0 325.434 2.532 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCCCC1 ZINC000344834966 474798611 /nfs/dbraw/zinc/79/86/11/474798611.db2.gz QLVDIOBHHHMQHN-QINSGFPZSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000340940349 474800080 /nfs/dbraw/zinc/80/00/80/474800080.db2.gz RBCPWAWBLIOMOC-LSDHHAIUSA-N 1 0 348.447 2.557 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268107540 474802401 /nfs/dbraw/zinc/80/24/01/474802401.db2.gz DGTMKLFQVVQOTA-HNNXBMFYSA-N 1 0 343.358 2.738 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000340942985 474803043 /nfs/dbraw/zinc/80/30/43/474803043.db2.gz XMVWTPIKNLTWFJ-GJZGRUSLSA-N 1 0 348.447 2.699 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000617196423 480126997 /nfs/dbraw/zinc/12/69/97/480126997.db2.gz DSAXFORQYPUXNN-AWEZNQCLSA-N 1 0 336.388 2.911 20 5 EFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000268138443 474820605 /nfs/dbraw/zinc/82/06/05/474820605.db2.gz PEUAMFHRQDRZPY-SMDDNHRTSA-N 1 0 330.388 2.535 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000273286093 474824315 /nfs/dbraw/zinc/82/43/15/474824315.db2.gz YSXMSHONTACBJW-GOSISDBHSA-N 1 0 327.384 2.774 20 5 EFBDRO Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000310230441 474826202 /nfs/dbraw/zinc/82/62/02/474826202.db2.gz JIJUVYMCJBXGDT-CQSZACIVSA-N 1 0 327.388 2.649 20 5 EFBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000310687727 474828712 /nfs/dbraw/zinc/82/87/12/474828712.db2.gz MVFQJQCDEIOZAR-BBRMVZONSA-N 1 0 343.431 2.966 20 5 EFBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000310687730 474829069 /nfs/dbraw/zinc/82/90/69/474829069.db2.gz MVFQJQCDEIOZAR-CJNGLKHVSA-N 1 0 343.431 2.966 20 5 EFBDRO Nc1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000310778888 474829307 /nfs/dbraw/zinc/82/93/07/474829307.db2.gz BDDRMULYWNPYGM-OAHLLOKOSA-N 1 0 341.415 2.896 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000312057650 474845601 /nfs/dbraw/zinc/84/56/01/474845601.db2.gz BATZLYZIWANFKD-ONGXEEELSA-N 1 0 328.210 2.886 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000255380004 474845588 /nfs/dbraw/zinc/84/55/88/474845588.db2.gz CVTMWMSSTOLBAF-OUOZUETKSA-N 1 0 348.399 2.652 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279002 474853126 /nfs/dbraw/zinc/85/31/26/474853126.db2.gz GJIPMMLVMRNHRV-OLZOCXBDSA-N 1 0 344.314 2.711 20 5 EFBDRO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000273352507 474855151 /nfs/dbraw/zinc/85/51/51/474855151.db2.gz CTAYQBXCSIPEHQ-GFCCVEGCSA-N 1 0 326.372 2.832 20 5 EFBDRO CS[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000278829800 474859524 /nfs/dbraw/zinc/85/95/24/474859524.db2.gz VDIFWQDNEZOYOD-GJZGRUSLSA-N 1 0 349.456 2.555 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccoc1 ZINC000345088455 474879904 /nfs/dbraw/zinc/87/99/04/474879904.db2.gz CPSQALZOYSVKAO-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](O)CC3)o2)c1 ZINC000293232385 474880817 /nfs/dbraw/zinc/88/08/17/474880817.db2.gz SIKRKSRVYLHOIM-HNNXBMFYSA-N 1 0 331.372 2.639 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000278874566 474886172 /nfs/dbraw/zinc/88/61/72/474886172.db2.gz ZRWNVYPEJXVZGF-GFCCVEGCSA-N 1 0 339.823 2.938 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293250842 474892277 /nfs/dbraw/zinc/89/22/77/474892277.db2.gz TZCDSDOIAXRMPS-STQMWFEESA-N 1 0 346.387 2.800 20 5 EFBDRO CCCC(CCC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273453211 474904912 /nfs/dbraw/zinc/90/49/12/474904912.db2.gz PCUSFFNMUIGXLH-UHFFFAOYSA-N 1 0 328.434 2.927 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000273451880 474905505 /nfs/dbraw/zinc/90/55/05/474905505.db2.gz CVBNGTJTOLGCII-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273457669 474907866 /nfs/dbraw/zinc/90/78/66/474907866.db2.gz DXRAJGZKRUOVSK-OHKBXWSGSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000292218361 474909962 /nfs/dbraw/zinc/90/99/62/474909962.db2.gz USZRSWTVUWSVKI-CYBMUJFWSA-N 1 0 348.374 2.999 20 5 EFBDRO CC1(C)CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273467395 474915600 /nfs/dbraw/zinc/91/56/00/474915600.db2.gz RJPRNGCVAVWATG-CYBMUJFWSA-N 1 0 340.445 2.927 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168122 474915626 /nfs/dbraw/zinc/91/56/26/474915626.db2.gz MTUITLLHJCCWLJ-SJCJKPOMSA-N 1 0 345.399 2.960 20 5 EFBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000341059273 474927022 /nfs/dbraw/zinc/92/70/22/474927022.db2.gz XOLONXNOWVTLQR-UHFFFAOYSA-N 1 0 348.369 2.909 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000337362658 474939658 /nfs/dbraw/zinc/93/96/58/474939658.db2.gz KSWKWOMACSPAPX-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCCCO ZINC000278960030 474942744 /nfs/dbraw/zinc/94/27/44/474942744.db2.gz WRQKSWLDIPZYJL-LBPRGKRZSA-N 1 0 334.376 2.800 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000273523791 474944285 /nfs/dbraw/zinc/94/42/85/474944285.db2.gz PYNCDRNHTKDHSQ-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273523790 474944883 /nfs/dbraw/zinc/94/48/83/474944883.db2.gz PYNCDRNHTKDHSQ-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000345161683 474948194 /nfs/dbraw/zinc/94/81/94/474948194.db2.gz HXVWYSCUYQYXAW-UHFFFAOYSA-N 1 0 335.301 2.850 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000273545937 474957670 /nfs/dbraw/zinc/95/76/70/474957670.db2.gz UXPDMKAWLLRTKL-AWEZNQCLSA-N 1 0 348.447 2.509 20 5 EFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(CO)CCOCC1 ZINC000339130567 474959695 /nfs/dbraw/zinc/95/96/95/474959695.db2.gz ZGYUQDHXCSPANU-UHFFFAOYSA-N 1 0 348.321 2.587 20 5 EFBDRO CC[NH+](CC)CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345175146 474962464 /nfs/dbraw/zinc/96/24/64/474962464.db2.gz PQWXDUWKBVEEPT-UHFFFAOYSA-N 1 0 343.449 2.532 20 5 EFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324478740 474969910 /nfs/dbraw/zinc/96/99/10/474969910.db2.gz CJQGLJKLBKLTMN-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000292345812 474975111 /nfs/dbraw/zinc/97/51/11/474975111.db2.gz XETOKZJSHLQQNM-SUMWQHHRSA-N 1 0 327.384 2.650 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339158794 474985575 /nfs/dbraw/zinc/98/55/75/474985575.db2.gz VBFDZDDBZYSAGL-SECBINFHSA-N 1 0 343.305 2.580 20 5 EFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358833 474988511 /nfs/dbraw/zinc/98/85/11/474988511.db2.gz VONVSMSEMMGKIW-IAQYHMDHSA-N 1 0 333.363 2.570 20 5 EFBDRO COc1cccc(C=C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000268456716 474990371 /nfs/dbraw/zinc/99/03/71/474990371.db2.gz JVHCXLXXFQUKMK-UHFFFAOYSA-N 1 0 342.399 2.979 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2(O)CCOCC2)o1 ZINC000285367688 474990565 /nfs/dbraw/zinc/99/05/65/474990565.db2.gz BVXZCOVLVKNRSR-UHFFFAOYSA-N 1 0 346.383 2.876 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000292378702 474992412 /nfs/dbraw/zinc/99/24/12/474992412.db2.gz MTYZIUGLUNTRIV-CQSZACIVSA-N 1 0 331.416 2.850 20 5 EFBDRO Cc1c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000261624994 475001089 /nfs/dbraw/zinc/00/10/89/475001089.db2.gz GPOZBLRLPAQRPI-INIZCTEOSA-N 1 0 325.368 2.520 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000268485397 475009479 /nfs/dbraw/zinc/00/94/79/475009479.db2.gz MNADRRXTAZJGFH-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940612 475013872 /nfs/dbraw/zinc/01/38/72/475013872.db2.gz XQANVLUEHYEJMN-BBRMVZONSA-N 1 0 344.415 2.820 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(F)cc1 ZINC000285436838 475025029 /nfs/dbraw/zinc/02/50/29/475025029.db2.gz XFOSISFQTVCPBD-MRXNPFEDSA-N 1 0 348.374 2.648 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609291211 480139349 /nfs/dbraw/zinc/13/93/49/480139349.db2.gz NPHPMRFOYIMBGY-DZGCQCFKSA-N 1 0 346.431 2.972 20 5 EFBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000337479055 475054972 /nfs/dbraw/zinc/05/49/72/475054972.db2.gz ZTBJPMMFHANZKA-PXAZEXFGSA-N 1 0 336.388 2.625 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCC1 ZINC000341462601 475061257 /nfs/dbraw/zinc/06/12/57/475061257.db2.gz NDZSXOWAPUYCGD-CYBMUJFWSA-N 1 0 343.383 2.955 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261808101 475070794 /nfs/dbraw/zinc/07/07/94/475070794.db2.gz RKCVPZVKUSQADC-DLBZAZTESA-N 1 0 339.395 2.724 20 5 EFBDRO CSC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292527659 475071295 /nfs/dbraw/zinc/07/12/95/475071295.db2.gz WUBZGRMAMUHQFR-CYBMUJFWSA-N 1 0 337.445 2.998 20 5 EFBDRO CSc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261832650 475078181 /nfs/dbraw/zinc/07/81/81/475078181.db2.gz OXECZVATKSKCLM-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341496245 475090791 /nfs/dbraw/zinc/09/07/91/475090791.db2.gz YYBBATNGNSRIDN-TZMCWYRMSA-N 1 0 336.388 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCOC2(CCOCC2)C1 ZINC000268957914 475093704 /nfs/dbraw/zinc/09/37/04/475093704.db2.gz GWJUKPJMYVFVCW-UHFFFAOYSA-N 1 0 326.780 2.630 20 5 EFBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000341502374 475096197 /nfs/dbraw/zinc/09/61/97/475096197.db2.gz GHSURPSUDFSJLJ-UHFFFAOYSA-N 1 0 348.424 2.987 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281161217 475097419 /nfs/dbraw/zinc/09/74/19/475097419.db2.gz ZSIHGXOOJSDPQK-AWEZNQCLSA-N 1 0 346.431 2.704 20 5 EFBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268965114 475099563 /nfs/dbraw/zinc/09/95/63/475099563.db2.gz YOIHUTNWXSIGJV-RYUDHWBXSA-N 1 0 336.413 2.981 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1O ZINC000341513186 475103923 /nfs/dbraw/zinc/10/39/23/475103923.db2.gz PQHGUSDWQJVTCQ-CYBMUJFWSA-N 1 0 338.404 2.587 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287351267 475108057 /nfs/dbraw/zinc/10/80/57/475108057.db2.gz ZKFLFSAUAZSDPT-GXTWGEPZSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000287354949 475109423 /nfs/dbraw/zinc/10/94/23/475109423.db2.gz ZYBDSKZADRDYMM-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000281207995 475116636 /nfs/dbraw/zinc/11/66/36/475116636.db2.gz UDFBSQPSGJNMOV-GOSISDBHSA-N 1 0 343.383 2.813 20 5 EFBDRO Nc1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000261931301 475118627 /nfs/dbraw/zinc/11/86/27/475118627.db2.gz CTDIHWJXJXOEFF-UHFFFAOYSA-N 1 0 334.401 2.677 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261950866 475123227 /nfs/dbraw/zinc/12/32/27/475123227.db2.gz FXYSCUZGGREIHA-NWDGAFQWSA-N 1 0 332.429 2.901 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000269012506 475126048 /nfs/dbraw/zinc/12/60/48/475126048.db2.gz NGZYJWOVIQKIHN-WFASDCNBSA-N 1 0 343.383 2.897 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000269012504 475126411 /nfs/dbraw/zinc/12/64/11/475126411.db2.gz NGZYJWOVIQKIHN-IUODEOHRSA-N 1 0 343.383 2.897 20 5 EFBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000261967424 475130489 /nfs/dbraw/zinc/13/04/89/475130489.db2.gz YMNWKYZPGAHZRU-CYBMUJFWSA-N 1 0 333.310 2.794 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000341549534 475134638 /nfs/dbraw/zinc/13/46/38/475134638.db2.gz POMXHKDZFYESSN-HNNXBMFYSA-N 1 0 334.420 2.616 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000281267184 475143596 /nfs/dbraw/zinc/14/35/96/475143596.db2.gz WTRHSJFJVGXGNH-GFCCVEGCSA-N 1 0 326.418 2.521 20 5 EFBDRO COc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000269044129 475144622 /nfs/dbraw/zinc/14/46/22/475144622.db2.gz NMIXOQCGERLEJF-KBPBESRZSA-N 1 0 337.420 2.905 20 5 EFBDRO COc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000269044131 475145040 /nfs/dbraw/zinc/14/50/40/475145040.db2.gz NMIXOQCGERLEJF-OKILXGFUSA-N 1 0 337.420 2.905 20 5 EFBDRO O=C(CC[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962367 475145213 /nfs/dbraw/zinc/14/52/13/475145213.db2.gz JFXUKZRTGMUIKH-QZTJIDSGSA-N 1 0 345.399 2.567 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[C@H]21 ZINC000269056395 475152505 /nfs/dbraw/zinc/15/25/05/475152505.db2.gz SHURTDVXAPTXGO-YVEFUNNKSA-N 1 0 342.399 2.632 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000269055747 475152988 /nfs/dbraw/zinc/15/29/88/475152988.db2.gz WNRSGSGIUGQBCV-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@H]1c1cccc(F)c1 ZINC000262044973 475156154 /nfs/dbraw/zinc/15/61/54/475156154.db2.gz UKEVNLDKWMYUNZ-KRWDZBQOSA-N 1 0 343.358 2.829 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000273996771 475156122 /nfs/dbraw/zinc/15/61/22/475156122.db2.gz YWXZZXHVCRFEES-LLVKDONJSA-N 1 0 337.395 2.610 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262045493 475157063 /nfs/dbraw/zinc/15/70/63/475157063.db2.gz LWYMJLAFNZQJCV-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000296009091 475164985 /nfs/dbraw/zinc/16/49/85/475164985.db2.gz MLUAKFWHSGLCDC-COLVAYQJSA-N 1 0 346.387 2.794 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000262101803 475172199 /nfs/dbraw/zinc/17/21/99/475172199.db2.gz SYFXSSHGRPGECK-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292731501 475173373 /nfs/dbraw/zinc/17/33/73/475173373.db2.gz GHYBHQYPJUNRFK-MRXNPFEDSA-N 1 0 341.358 2.724 20 5 EFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000269109858 475176389 /nfs/dbraw/zinc/17/63/89/475176389.db2.gz DPXMHKCOZCBRHI-HNNXBMFYSA-N 1 0 340.383 2.772 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000339385345 475182055 /nfs/dbraw/zinc/18/20/55/475182055.db2.gz NVDDPTYDVJLPFJ-ZDUSSCGKSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389398 475186162 /nfs/dbraw/zinc/18/61/62/475186162.db2.gz PPPPUKNAYSRWFK-GWCFXTLKSA-N 1 0 347.375 2.515 20 5 EFBDRO CSCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281374087 475190163 /nfs/dbraw/zinc/19/01/63/475190163.db2.gz LWKABOXDGYYAHV-UHFFFAOYSA-N 1 0 329.397 2.747 20 5 EFBDRO CC(C)(CCc1nc(-c2cccc(Cn3ccnc3)c2)no1)[N+](=O)[O-] ZINC000296104547 475197669 /nfs/dbraw/zinc/19/76/69/475197669.db2.gz UNIKCWDOWAFIQS-UHFFFAOYSA-N 1 0 341.371 2.969 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000292796300 475199321 /nfs/dbraw/zinc/19/93/21/475199321.db2.gz MZFSIXLNKDSTMN-AWEZNQCLSA-N 1 0 344.337 2.931 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296127603 475204987 /nfs/dbraw/zinc/20/49/87/475204987.db2.gz IQTNFEHZOUGOIN-QGZVFWFLSA-N 1 0 348.403 2.553 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262309309 475218291 /nfs/dbraw/zinc/21/82/91/475218291.db2.gz YRSSALCFKMFFFQ-KRWDZBQOSA-N 1 0 345.374 2.759 20 5 EFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000296190910 475219686 /nfs/dbraw/zinc/21/96/86/475219686.db2.gz IWUSZBWEBAWMBM-AWEZNQCLSA-N 1 0 327.812 2.841 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC000345507597 475226387 /nfs/dbraw/zinc/22/63/87/475226387.db2.gz PKIYLLSVNFLTEY-UHFFFAOYSA-N 1 0 327.384 2.929 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000341693796 475227222 /nfs/dbraw/zinc/22/72/22/475227222.db2.gz MGTCCBHGSJNODT-INIZCTEOSA-N 1 0 346.358 2.753 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361159166 475232071 /nfs/dbraw/zinc/23/20/71/475232071.db2.gz ISGMEYZDVBPDNU-CABCVRRESA-N 1 0 331.416 2.516 20 5 EFBDRO CNc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361161161 475233721 /nfs/dbraw/zinc/23/37/21/475233721.db2.gz GOVNMNXQYHVIPU-FZKQIMNGSA-N 1 0 348.447 2.877 20 5 EFBDRO CNc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361163054 475234682 /nfs/dbraw/zinc/23/46/82/475234682.db2.gz WIGFDLAHVDYWCC-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361171019 475242672 /nfs/dbraw/zinc/24/26/72/475242672.db2.gz LRKDVBNAHNCQFQ-SOLBZPMBSA-N 1 0 345.443 2.907 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000361175445 475244414 /nfs/dbraw/zinc/24/44/14/475244414.db2.gz FYRPTYOXEOOXDI-PBHICJAKSA-N 1 0 333.432 2.620 20 5 EFBDRO COCCOC[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347354038 475259735 /nfs/dbraw/zinc/25/97/35/475259735.db2.gz HZKWQGPTNQFGFK-XBNGYDHASA-N 1 0 334.416 2.983 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386338 480156316 /nfs/dbraw/zinc/15/63/16/480156316.db2.gz POFOSBJNEHTAOR-OAHLLOKOSA-N 1 0 348.447 2.694 20 5 EFBDRO C[N@H+](CCCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000341739969 475263339 /nfs/dbraw/zinc/26/33/39/475263339.db2.gz CIDCDPZLBSGOGU-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000337717248 475267071 /nfs/dbraw/zinc/26/70/71/475267071.db2.gz SBYWAKJFDYXVTH-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO COc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000354584773 475270287 /nfs/dbraw/zinc/27/02/87/475270287.db2.gz LLZHDROTJNIRFT-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CC(=O)NCC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370361 475273310 /nfs/dbraw/zinc/27/33/10/475273310.db2.gz VFHIHEPEBGTSNS-GXDHUFHOSA-N 1 0 331.416 2.846 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000361219476 475278703 /nfs/dbraw/zinc/27/87/03/475278703.db2.gz DPYNYRLHFSOZDT-UHFFFAOYSA-N 1 0 345.403 2.535 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000347390441 475289638 /nfs/dbraw/zinc/28/96/38/475289638.db2.gz MXOHCSRBGXSLLT-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCCC[C@@H]1C ZINC000347402982 475298447 /nfs/dbraw/zinc/29/84/47/475298447.db2.gz HYYQJJCQKVHQJR-STQMWFEESA-N 1 0 329.404 2.635 20 5 EFBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCCC[C@H]1C ZINC000347402975 475299089 /nfs/dbraw/zinc/29/90/89/475299089.db2.gz HYYQJJCQKVHQJR-CHWSQXEVSA-N 1 0 329.404 2.635 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000341853375 475359083 /nfs/dbraw/zinc/35/90/83/475359083.db2.gz NAKLINLARMPLJA-HNNXBMFYSA-N 1 0 331.397 2.996 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1nccs1 ZINC000358045856 475360803 /nfs/dbraw/zinc/36/08/03/475360803.db2.gz KEEQVPWWXOLBEG-GFCCVEGCSA-N 1 0 348.428 2.991 20 5 EFBDRO Cc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C2 ZINC000339636302 475365228 /nfs/dbraw/zinc/36/52/28/475365228.db2.gz NGJMVGIDOWOONY-UHFFFAOYSA-N 1 0 341.411 2.902 20 5 EFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC000339644380 475370914 /nfs/dbraw/zinc/37/09/14/475370914.db2.gz MRQXMQWOGDUPAD-VYDXJSESSA-N 1 0 338.452 2.833 20 5 EFBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337845445 475371707 /nfs/dbraw/zinc/37/17/07/475371707.db2.gz HBWNPHWQCCSBJJ-IUODEOHRSA-N 1 0 337.420 2.963 20 5 EFBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337845448 475372182 /nfs/dbraw/zinc/37/21/82/475372182.db2.gz HBWNPHWQCCSBJJ-SWLSCSKDSA-N 1 0 337.420 2.963 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341875747 475374208 /nfs/dbraw/zinc/37/42/08/475374208.db2.gz JPRPHGIYHZTETD-UHFFFAOYSA-N 1 0 333.775 2.689 20 5 EFBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337853048 475378242 /nfs/dbraw/zinc/37/82/42/475378242.db2.gz KBEUZJIXWLFQAJ-IUODEOHRSA-N 1 0 337.420 2.963 20 5 EFBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000337862914 475387114 /nfs/dbraw/zinc/38/71/14/475387114.db2.gz OEFWZXOXVUZCQY-SWLSCSKDSA-N 1 0 337.420 2.963 20 5 EFBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000337862912 475387367 /nfs/dbraw/zinc/38/73/67/475387367.db2.gz OEFWZXOXVUZCQY-DOMZBBRYSA-N 1 0 337.420 2.963 20 5 EFBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000337862913 475387908 /nfs/dbraw/zinc/38/79/08/475387908.db2.gz OEFWZXOXVUZCQY-IUODEOHRSA-N 1 0 337.420 2.963 20 5 EFBDRO CC1=CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331721118 475392163 /nfs/dbraw/zinc/39/21/63/475392163.db2.gz JJZOSZXSWBJBLG-JKSUJKDBSA-N 1 0 333.436 2.517 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000296605244 475392368 /nfs/dbraw/zinc/39/23/68/475392368.db2.gz OVJAAMSEYLWUCH-MRXNPFEDSA-N 1 0 336.367 2.684 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543296 475397435 /nfs/dbraw/zinc/39/74/35/475397435.db2.gz COTZJBTUYIIKEV-KRWDZBQOSA-N 1 0 344.411 2.817 20 5 EFBDRO O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339675601 475399021 /nfs/dbraw/zinc/39/90/21/475399021.db2.gz DYIYYGVYSNLZCD-CQSZACIVSA-N 1 0 329.400 2.606 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[N@@H+]1C ZINC000345740978 475409565 /nfs/dbraw/zinc/40/95/65/475409565.db2.gz HXTQSOYNRIATNU-CZUORRHYSA-N 1 0 346.431 2.752 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1 ZINC000352563591 475416662 /nfs/dbraw/zinc/41/66/62/475416662.db2.gz SGFXQECESAEXEM-UHFFFAOYSA-N 1 0 349.337 2.986 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000348139398 475420590 /nfs/dbraw/zinc/42/05/90/475420590.db2.gz HXTJECGNNYVJFY-UONOGXRCSA-N 1 0 335.404 2.637 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCNC(=O)CC1 ZINC000296686842 475429052 /nfs/dbraw/zinc/42/90/52/475429052.db2.gz CDPLAXRAZFJJIE-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO CC(C)[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339706648 475429791 /nfs/dbraw/zinc/42/97/91/475429791.db2.gz VTJBCCSNVDUYTA-KSSFIOAISA-N 1 0 349.431 2.652 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000296701723 475438998 /nfs/dbraw/zinc/43/89/98/475438998.db2.gz LAXAEGXLWSFGHY-LBPRGKRZSA-N 1 0 345.424 2.892 20 5 EFBDRO COc1cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296707648 475439294 /nfs/dbraw/zinc/43/92/94/475439294.db2.gz LOSFPAXFJYFTCS-LBPRGKRZSA-N 1 0 337.395 2.659 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345778190 475442977 /nfs/dbraw/zinc/44/29/77/475442977.db2.gz LEOMHAFAWVTKMK-WMLDXEAASA-N 1 0 348.447 2.998 20 5 EFBDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830031 475443470 /nfs/dbraw/zinc/44/34/70/475443470.db2.gz JJVQVFULIFSRBX-QWHCGFSZSA-N 1 0 345.374 2.903 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152872 475444254 /nfs/dbraw/zinc/44/42/54/475444254.db2.gz LEDVLEPNJRPEBS-OCCSQVGLSA-N 1 0 335.404 2.653 20 5 EFBDRO COC(=O)c1ccc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352620904 475465536 /nfs/dbraw/zinc/46/55/36/475465536.db2.gz JLIOGWQXNALMBJ-UHFFFAOYSA-N 1 0 342.351 2.776 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331962636 475470030 /nfs/dbraw/zinc/47/00/30/475470030.db2.gz QWQOFDQBGKHCPD-HNNXBMFYSA-N 1 0 331.416 2.904 20 5 EFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331962639 475470256 /nfs/dbraw/zinc/47/02/56/475470256.db2.gz QWQOFDQBGKHCPD-OAHLLOKOSA-N 1 0 331.416 2.904 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC(C)(C)C1 ZINC000361468252 475471696 /nfs/dbraw/zinc/47/16/96/475471696.db2.gz FSKVGUFVSQVHHR-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000331985210 475476510 /nfs/dbraw/zinc/47/65/10/475476510.db2.gz TWPXAHCSDLOLQD-LIRZEXBASA-N 1 0 334.416 2.826 20 5 EFBDRO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358193135 475477360 /nfs/dbraw/zinc/47/73/60/475477360.db2.gz ADBLEHKRMQRNOJ-YQQAZPJKSA-N 1 0 336.432 2.947 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332070171 475499498 /nfs/dbraw/zinc/49/94/98/475499498.db2.gz BMMODXNMCKQEDI-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296846305 475503177 /nfs/dbraw/zinc/50/31/77/475503177.db2.gz XPPVQVXUNKGKCE-KBXCAEBGSA-N 1 0 330.384 2.823 20 5 EFBDRO C[C@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000361503764 475503569 /nfs/dbraw/zinc/50/35/69/475503569.db2.gz PBLLJVRUSZDHAM-XJKSGUPXSA-N 1 0 332.404 2.536 20 5 EFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354914541 475514709 /nfs/dbraw/zinc/51/47/09/475514709.db2.gz DPCQUNFLUKXTJP-JSGCOSHPSA-N 1 0 336.388 2.767 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332126146 475521336 /nfs/dbraw/zinc/52/13/36/475521336.db2.gz CYRBDGCWFGGMSD-MELADBBJSA-N 1 0 332.404 2.803 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354924365 475525182 /nfs/dbraw/zinc/52/51/82/475525182.db2.gz OGCVAZDZUOCWDD-CYBMUJFWSA-N 1 0 336.388 2.769 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000338031596 475525401 /nfs/dbraw/zinc/52/54/01/475525401.db2.gz VLECBTNHQSXVHC-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000348263306 475539037 /nfs/dbraw/zinc/53/90/37/475539037.db2.gz SHUZOFBRJISRCX-UHFFFAOYSA-N 1 0 331.372 2.745 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000296961308 475555015 /nfs/dbraw/zinc/55/50/15/475555015.db2.gz WJCMVDFBNMADIL-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572076 475557641 /nfs/dbraw/zinc/55/76/41/475557641.db2.gz CGPJEUVTTUEZPU-QWRGUYRKSA-N 1 0 343.811 2.932 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000358290296 475563849 /nfs/dbraw/zinc/56/38/49/475563849.db2.gz QVHGMZKPDDZGEK-UONOGXRCSA-N 1 0 337.445 2.676 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@@H]1CCCC2 ZINC000342158897 475565843 /nfs/dbraw/zinc/56/58/43/475565843.db2.gz RXMJTFYLODAGPJ-KSSFIOAISA-N 1 0 348.399 2.769 20 5 EFBDRO CCOc1cccc(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000358294477 475566604 /nfs/dbraw/zinc/56/66/04/475566604.db2.gz YKUDHXXOFRJFTD-HNNXBMFYSA-N 1 0 325.434 2.843 20 5 EFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000346224643 475573377 /nfs/dbraw/zinc/57/33/77/475573377.db2.gz RVZRMKZQXAPQJO-OAHLLOKOSA-N 1 0 331.420 2.897 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000354976933 475574134 /nfs/dbraw/zinc/57/41/34/475574134.db2.gz HRDNXPDFEWFFFR-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251138 475576158 /nfs/dbraw/zinc/57/61/58/475576158.db2.gz UFEQWEFPENCCKW-OLZOCXBDSA-N 1 0 331.420 2.776 20 5 EFBDRO COC(=O)[C@H]1CSCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000332258413 475576616 /nfs/dbraw/zinc/57/66/16/475576616.db2.gz ZZQDZDRCTWRTHQ-QWHCGFSZSA-N 1 0 338.429 2.802 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332259836 475578631 /nfs/dbraw/zinc/57/86/31/475578631.db2.gz AXXUWPXEXAGPIZ-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000332280969 475585251 /nfs/dbraw/zinc/58/52/51/475585251.db2.gz DMGKZYOKLRAROZ-KRWDZBQOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000358327287 475592764 /nfs/dbraw/zinc/59/27/64/475592764.db2.gz FYGDVLFBXQWHMT-QWHCGFSZSA-N 1 0 337.395 2.656 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358327308 475593267 /nfs/dbraw/zinc/59/32/67/475593267.db2.gz GERYLPVZJHJOHM-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332345596 475608263 /nfs/dbraw/zinc/60/82/63/475608263.db2.gz YEUIXQBCKHEFGX-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355034381 475613351 /nfs/dbraw/zinc/61/33/51/475613351.db2.gz HCWBDZARJMMTDD-KBPBESRZSA-N 1 0 334.372 2.521 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332388300 475623214 /nfs/dbraw/zinc/62/32/14/475623214.db2.gz CHFYQECYEHQJQS-DZGCQCFKSA-N 1 0 349.406 2.924 20 5 EFBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352789292 475627781 /nfs/dbraw/zinc/62/77/81/475627781.db2.gz BQUVZMPWGYCBCK-UFBFGSQYSA-N 1 0 329.809 2.528 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000361658576 475636929 /nfs/dbraw/zinc/63/69/29/475636929.db2.gz XXVBPIFBQOLWOP-DGCLKSJQSA-N 1 0 333.413 2.779 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000332434649 475637719 /nfs/dbraw/zinc/63/77/19/475637719.db2.gz ZWXGWOZULVHAPO-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352803190 475639882 /nfs/dbraw/zinc/63/98/82/475639882.db2.gz XXMXRRRQTVLQGD-GZMMTYOYSA-N 1 0 329.809 2.528 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000342923721 475655348 /nfs/dbraw/zinc/65/53/48/475655348.db2.gz FYWRPMAKWNTMGR-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000332524396 475658215 /nfs/dbraw/zinc/65/82/15/475658215.db2.gz RBMSBONXKLFTSK-JSGCOSHPSA-N 1 0 337.395 2.801 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358418759 475663771 /nfs/dbraw/zinc/66/37/71/475663771.db2.gz HPKCBTKGDSJSGD-CYBMUJFWSA-N 1 0 339.411 2.903 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000297234575 475669682 /nfs/dbraw/zinc/66/96/82/475669682.db2.gz UHOHKBUPJSRHNB-ZDUSSCGKSA-N 1 0 344.415 2.930 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332577170 475674228 /nfs/dbraw/zinc/67/42/28/475674228.db2.gz GKLSCFCFYHOIFJ-KBPBESRZSA-N 1 0 349.456 2.772 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297266161 475681780 /nfs/dbraw/zinc/68/17/80/475681780.db2.gz VGSRMKTXZYUELS-RMKNXTFCSA-N 1 0 329.400 2.741 20 5 EFBDRO CC(=O)c1cc(N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000340029779 475697149 /nfs/dbraw/zinc/69/71/49/475697149.db2.gz LFBNZDWWTKFEDS-UHFFFAOYSA-N 1 0 349.431 2.735 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000353125428 475700467 /nfs/dbraw/zinc/70/04/67/475700467.db2.gz LCFOPABOALTNMR-AWEZNQCLSA-N 1 0 337.420 2.576 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340055312 475720839 /nfs/dbraw/zinc/72/08/39/475720839.db2.gz VLYYXQRZYDRFOK-HNNXBMFYSA-N 1 0 345.443 2.959 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348531969 475732180 /nfs/dbraw/zinc/73/21/80/475732180.db2.gz MXJUWPRMHLQHGA-TVYUQYBPSA-N 1 0 343.330 2.672 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348534109 475733852 /nfs/dbraw/zinc/73/38/52/475733852.db2.gz OXIKQCBOIQZGFG-GDBMZVCRSA-N 1 0 330.388 2.556 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348538664 475739470 /nfs/dbraw/zinc/73/94/70/475739470.db2.gz UPSFNBNPILZABE-CHWSQXEVSA-N 1 0 343.330 2.592 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361787490 475753900 /nfs/dbraw/zinc/75/39/00/475753900.db2.gz NOZQIRMPWGCGIU-SNVBAGLBSA-N 1 0 345.321 2.780 20 5 EFBDRO NC(=O)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000346675085 475754205 /nfs/dbraw/zinc/75/42/05/475754205.db2.gz OAUOVSDXUHNZTQ-AWEZNQCLSA-N 1 0 347.802 2.682 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358548137 475762281 /nfs/dbraw/zinc/76/22/81/475762281.db2.gz TUNBVAQDMBGHAE-KBPBESRZSA-N 1 0 348.447 2.965 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358548138 475762644 /nfs/dbraw/zinc/76/26/44/475762644.db2.gz TUNBVAQDMBGHAE-KGLIPLIRSA-N 1 0 348.447 2.965 20 5 EFBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353226301 475785344 /nfs/dbraw/zinc/78/53/44/475785344.db2.gz GIRNLLAEABAIDD-LLVKDONJSA-N 1 0 326.356 2.898 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340133557 475785757 /nfs/dbraw/zinc/78/57/57/475785757.db2.gz BVNPOWNCFRHHNE-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297544080 475800607 /nfs/dbraw/zinc/80/06/07/475800607.db2.gz JCZOLLYUXZDMGR-WWGRRREGSA-N 1 0 334.420 2.637 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000297552669 475805008 /nfs/dbraw/zinc/80/50/08/475805008.db2.gz JWXYGASRZLYBAK-KSSFIOAISA-N 1 0 346.431 2.783 20 5 EFBDRO COCC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000338344324 475807382 /nfs/dbraw/zinc/80/73/82/475807382.db2.gz AOAOGDNNYHFGFS-OAHLLOKOSA-N 1 0 337.420 2.598 20 5 EFBDRO COCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000338347879 475811783 /nfs/dbraw/zinc/81/17/83/475811783.db2.gz DFKPVGQJOAPXGC-INIZCTEOSA-N 1 0 349.431 2.525 20 5 EFBDRO COC(=O)c1oc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1C ZINC000338349782 475812266 /nfs/dbraw/zinc/81/22/66/475812266.db2.gz IFPJOXPIUQKHIT-UHFFFAOYSA-N 1 0 332.356 2.957 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@H](CO)C2)n1 ZINC000348682458 475816275 /nfs/dbraw/zinc/81/62/75/475816275.db2.gz MQTWRIGBULJLSI-YHUYYLMFSA-N 1 0 336.436 2.663 20 5 EFBDRO CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1c1ncc[nH]1 ZINC000355315797 475822264 /nfs/dbraw/zinc/82/22/64/475822264.db2.gz MZBFZBBSKPQBGL-MRXNPFEDSA-N 1 0 329.404 2.505 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338359520 475824080 /nfs/dbraw/zinc/82/40/80/475824080.db2.gz OBCBCDJETSHBIF-QWHCGFSZSA-N 1 0 345.403 2.984 20 5 EFBDRO Cc1nc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297618531 475830249 /nfs/dbraw/zinc/83/02/49/475830249.db2.gz WGWJIBKAQCGXEV-INIZCTEOSA-N 1 0 341.415 2.794 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000346768213 475840912 /nfs/dbraw/zinc/84/09/12/475840912.db2.gz JQEJWGAHICUBLG-QWHCGFSZSA-N 1 0 342.399 2.698 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000355338260 475842085 /nfs/dbraw/zinc/84/20/85/475842085.db2.gz RIYNGDBJSNSGFH-UHFFFAOYSA-N 1 0 348.447 2.829 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346769709 475842631 /nfs/dbraw/zinc/84/26/31/475842631.db2.gz KXJAJOJNGKROJG-STQMWFEESA-N 1 0 334.420 2.581 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353296127 475847061 /nfs/dbraw/zinc/84/70/61/475847061.db2.gz BGKXBVKQCVXYNP-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1O ZINC000361903255 475854346 /nfs/dbraw/zinc/85/43/46/475854346.db2.gz DXJCRFBEJQOISU-CVEARBPZSA-N 1 0 338.404 2.991 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1 ZINC000353307785 475856854 /nfs/dbraw/zinc/85/68/54/475856854.db2.gz NHWRHDLHLSNMJK-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340211448 475861109 /nfs/dbraw/zinc/86/11/09/475861109.db2.gz XFHZZVLPUAKYDM-KGLIPLIRSA-N 1 0 348.321 2.751 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340210993 475861443 /nfs/dbraw/zinc/86/14/43/475861443.db2.gz OQDWHGBNAMAJCJ-ZIAGYGMSSA-N 1 0 348.321 2.751 20 5 EFBDRO CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348823023 475869295 /nfs/dbraw/zinc/86/92/95/475869295.db2.gz RIPBMTAPNOEBGU-HOCLYGCPSA-N 1 0 348.378 2.820 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000346805335 475873996 /nfs/dbraw/zinc/87/39/96/475873996.db2.gz IFTVPKSWGSCFBA-OLZOCXBDSA-N 1 0 326.418 2.521 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809799 475877509 /nfs/dbraw/zinc/87/75/09/475877509.db2.gz FVWOXJLWPWBVBK-TZMCWYRMSA-N 1 0 326.418 2.521 20 5 EFBDRO COCC1(C)CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000358737571 475893641 /nfs/dbraw/zinc/89/36/41/475893641.db2.gz BAGBZDVHOOHOHE-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO COCC1(C)CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000358737569 475893764 /nfs/dbraw/zinc/89/37/64/475893764.db2.gz BAGBZDVHOOHOHE-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000353353396 475894142 /nfs/dbraw/zinc/89/41/42/475894142.db2.gz MZAHUNQVCNVIHF-UHFFFAOYSA-N 1 0 340.383 2.943 20 5 EFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358737546 475894253 /nfs/dbraw/zinc/89/42/53/475894253.db2.gz AXFRRFBOOGGBOK-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C[NH3+])C1 ZINC000346831332 475895248 /nfs/dbraw/zinc/89/52/48/475895248.db2.gz KTNNJIWZEUEEBQ-HZPDHXFCSA-N 1 0 345.399 2.793 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830780 475895274 /nfs/dbraw/zinc/89/52/74/475895274.db2.gz PCKDITRQJBWYCS-LEWSCRJBSA-N 1 0 341.358 2.755 20 5 EFBDRO COCCCn1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000338434856 475902003 /nfs/dbraw/zinc/90/20/03/475902003.db2.gz DMWJJIYPDXBNKP-UHFFFAOYSA-N 1 0 332.404 2.853 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000338437587 475903219 /nfs/dbraw/zinc/90/32/19/475903219.db2.gz DQNGPJYKSSTDSD-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C[NH3+])C1 ZINC000346846766 475907627 /nfs/dbraw/zinc/90/76/27/475907627.db2.gz BZQKHGMRPZZFIW-KBPBESRZSA-N 1 0 345.399 2.793 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855781 475915777 /nfs/dbraw/zinc/91/57/77/475915777.db2.gz VRTDCCONMPVWDE-HOTGVXAUSA-N 1 0 345.399 2.793 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343286309 475920438 /nfs/dbraw/zinc/92/04/38/475920438.db2.gz XTXKCHNLZKQBRS-VXGBXAGGSA-N 1 0 337.445 2.919 20 5 EFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021180 475942705 /nfs/dbraw/zinc/94/27/05/475942705.db2.gz YSWTYDQGGGLQCN-WBVHZDCISA-N 1 0 338.404 2.666 20 5 EFBDRO CC[NH+](CC)CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353437416 475965841 /nfs/dbraw/zinc/96/58/41/475965841.db2.gz RCJATDAGSRAFGD-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298071151 475973825 /nfs/dbraw/zinc/97/38/25/475973825.db2.gz FACYGYBZSHWSNM-ZDUSSCGKSA-N 1 0 328.372 2.802 20 5 EFBDRO CC(C)[NH+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)C ZINC000298087618 475977381 /nfs/dbraw/zinc/97/73/81/475977381.db2.gz NZSQNTHMXBPUIV-UHFFFAOYSA-N 1 0 332.404 2.925 20 5 EFBDRO Cc1c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000340367471 475983537 /nfs/dbraw/zinc/98/35/37/475983537.db2.gz XZBLNRCUCLIAHX-UHFFFAOYSA-N 1 0 340.445 2.596 20 5 EFBDRO CC(C)c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000355498262 475986803 /nfs/dbraw/zinc/98/68/03/475986803.db2.gz ASCSDTWYHHZASO-OAHLLOKOSA-N 1 0 346.431 2.754 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353458357 475986773 /nfs/dbraw/zinc/98/67/73/475986773.db2.gz CDDBCWDLVBTFRF-LLVKDONJSA-N 1 0 329.347 2.722 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298139636 475994932 /nfs/dbraw/zinc/99/49/32/475994932.db2.gz LLGJMYPCUGSSAC-UHFFFAOYSA-N 1 0 328.372 2.643 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355516590 475999674 /nfs/dbraw/zinc/99/96/74/475999674.db2.gz XEKZVDQHAMOVLD-WMLDXEAASA-N 1 0 346.431 2.671 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000355516588 476000116 /nfs/dbraw/zinc/00/01/16/476000116.db2.gz XEKZVDQHAMOVLD-PBHICJAKSA-N 1 0 346.431 2.671 20 5 EFBDRO CC[N@H+](CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000353499501 476022833 /nfs/dbraw/zinc/02/28/33/476022833.db2.gz USBUKNHABKDSOM-QGZVFWFLSA-N 1 0 345.447 2.738 20 5 EFBDRO CC[N@H+](CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353501595 476025701 /nfs/dbraw/zinc/02/57/01/476025701.db2.gz ZVCXHAPRSFAHFD-QGZVFWFLSA-N 1 0 345.447 2.738 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(O)CCC1 ZINC000353509550 476032712 /nfs/dbraw/zinc/03/27/12/476032712.db2.gz HMCFUROHBLYJIV-NSHDSACASA-N 1 0 332.360 2.553 20 5 EFBDRO CCOC1(C)CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000298247516 476033520 /nfs/dbraw/zinc/03/35/20/476033520.db2.gz KATCHSKIRGIGAD-UHFFFAOYSA-N 1 0 338.404 2.873 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](CC)CCC(F)(F)F ZINC000358914929 476034369 /nfs/dbraw/zinc/03/43/69/476034369.db2.gz LSJIZQMMQCCYFT-UHFFFAOYSA-N 1 0 337.346 2.806 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358913779 476034952 /nfs/dbraw/zinc/03/49/52/476034952.db2.gz IZKDZFHDHHHCQJ-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340450585 476041875 /nfs/dbraw/zinc/04/18/75/476041875.db2.gz UVLUYYMBLQCHJD-RYUDHWBXSA-N 1 0 344.371 2.763 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340448312 476042521 /nfs/dbraw/zinc/04/25/21/476042521.db2.gz KSHMFCQYSJNGPV-VXGBXAGGSA-N 1 0 344.371 2.763 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000338605584 476047880 /nfs/dbraw/zinc/04/78/80/476047880.db2.gz AKHWPBZMYMAXBX-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042702 476056517 /nfs/dbraw/zinc/05/65/17/476056517.db2.gz LQJPTLHLOTYMTD-WDEREUQCSA-N 1 0 329.347 2.755 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343438779 476065925 /nfs/dbraw/zinc/06/59/25/476065925.db2.gz LOPVKZNEJNOOJE-SMDDNHRTSA-N 1 0 337.445 2.919 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508683 476073073 /nfs/dbraw/zinc/07/30/73/476073073.db2.gz YUQYGTWPCMNPBD-YPMHNXCESA-N 1 0 346.836 2.694 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347071056 476076911 /nfs/dbraw/zinc/07/69/11/476076911.db2.gz PUCVJPLFKMKHPU-ONXXMXGDSA-N 1 0 341.358 2.911 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343593045 476090935 /nfs/dbraw/zinc/09/09/35/476090935.db2.gz PBIMYMXOJCPLJT-WFASDCNBSA-N 1 0 343.387 2.708 20 5 EFBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000353578146 476095108 /nfs/dbraw/zinc/09/51/08/476095108.db2.gz DEYMXRBAIMSYCZ-UHFFFAOYSA-N 1 0 328.372 2.762 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000334043750 476096819 /nfs/dbraw/zinc/09/68/19/476096819.db2.gz MMKMPMHXADGZSU-NWDGAFQWSA-N 1 0 338.383 2.976 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000347110737 476101282 /nfs/dbraw/zinc/10/12/82/476101282.db2.gz XMIJVDMQZMFRNJ-HNNXBMFYSA-N 1 0 329.356 2.652 20 5 EFBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338687919 476112881 /nfs/dbraw/zinc/11/28/81/476112881.db2.gz QYGQVTRNAYCNHX-ZDUSSCGKSA-N 1 0 335.326 2.647 20 5 EFBDRO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000362250459 476112975 /nfs/dbraw/zinc/11/29/75/476112975.db2.gz MJGJCEUGPBPVQR-HNNXBMFYSA-N 1 0 347.415 2.838 20 5 EFBDRO Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000359013610 476114080 /nfs/dbraw/zinc/11/40/80/476114080.db2.gz JHZKRDKTRDHUMP-JKSUJKDBSA-N 1 0 329.404 2.811 20 5 EFBDRO O=C1NCCc2ccc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])cc21 ZINC000350269816 476114613 /nfs/dbraw/zinc/11/46/13/476114613.db2.gz SAOWQXWWIMWEJU-HYXAFXHYSA-N 1 0 337.379 2.684 20 5 EFBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338714623 476127437 /nfs/dbraw/zinc/12/74/37/476127437.db2.gz UHDJUMUHMVRTHL-NSHDSACASA-N 1 0 333.413 2.938 20 5 EFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000336793143 476130204 /nfs/dbraw/zinc/13/02/04/476130204.db2.gz VOUFGPGYZMJOIW-IAGOWNOFSA-N 1 0 338.411 2.948 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000356789074 476130152 /nfs/dbraw/zinc/13/01/52/476130152.db2.gz FWXUPTMFQXMDMT-NWDGAFQWSA-N 1 0 325.384 2.682 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000350322306 476136673 /nfs/dbraw/zinc/13/66/73/476136673.db2.gz UBUNRZDWMREJQC-DAXSKMNVSA-N 1 0 346.408 2.672 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000338751310 476155062 /nfs/dbraw/zinc/15/50/62/476155062.db2.gz AGMLIFOZWOTWNB-AWEZNQCLSA-N 1 0 336.779 2.609 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359076573 476168829 /nfs/dbraw/zinc/16/88/29/476168829.db2.gz WJPMBEKHVGRYIL-CYBMUJFWSA-N 1 0 325.368 2.788 20 5 EFBDRO CNc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000336881340 476171758 /nfs/dbraw/zinc/17/17/58/476171758.db2.gz TUOPZGRUZHSXLZ-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCn2cncn2)s1 ZINC000336897274 476186512 /nfs/dbraw/zinc/18/65/12/476186512.db2.gz OHKHJSNNAPXPPD-UHFFFAOYSA-N 1 0 329.385 2.705 20 5 EFBDRO COc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000353685825 476188666 /nfs/dbraw/zinc/18/86/66/476188666.db2.gz OVDOZKVTFSSJBX-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000357061944 476197896 /nfs/dbraw/zinc/19/78/96/476197896.db2.gz SPXXHRRERWQOPN-UHFFFAOYSA-N 1 0 339.440 2.632 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000302631310 476199068 /nfs/dbraw/zinc/19/90/68/476199068.db2.gz GJJVBFMKHRDFTA-LESCRADOSA-N 1 0 334.416 2.989 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347246372 476200065 /nfs/dbraw/zinc/20/00/65/476200065.db2.gz ZSTSNHCLACQSHT-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000350485403 476207415 /nfs/dbraw/zinc/20/74/15/476207415.db2.gz WKVKJVIWNGTZOC-JKSUJKDBSA-N 1 0 349.431 2.695 20 5 EFBDRO COc1ccc(C)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353717364 476214604 /nfs/dbraw/zinc/21/46/04/476214604.db2.gz VSBBGKFVJCMEHI-OAHLLOKOSA-N 1 0 342.399 2.993 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000357086075 476220085 /nfs/dbraw/zinc/22/00/85/476220085.db2.gz RJVQVXWMEHMESO-LSDHHAIUSA-N 1 0 327.384 2.896 20 5 EFBDRO CN(C)c1nccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000344293703 476224925 /nfs/dbraw/zinc/22/49/25/476224925.db2.gz IKBPUMGQDXLIII-INIZCTEOSA-N 1 0 341.415 2.562 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347285123 476230280 /nfs/dbraw/zinc/23/02/80/476230280.db2.gz GMQWLFWHBZASPG-LRDDRELGSA-N 1 0 329.404 2.530 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295678 476239041 /nfs/dbraw/zinc/23/90/41/476239041.db2.gz YSYFCZQBIYQJHE-VXGBXAGGSA-N 1 0 338.383 2.976 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357115213 476241979 /nfs/dbraw/zinc/24/19/79/476241979.db2.gz ZDDVTFPQSOZNPI-UHFFFAOYSA-N 1 0 339.411 2.857 20 5 EFBDRO CN(C)c1nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000344314627 476242518 /nfs/dbraw/zinc/24/25/18/476242518.db2.gz LVTBHQUYEPTJJF-UHFFFAOYSA-N 1 0 339.355 2.718 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000344315359 476243145 /nfs/dbraw/zinc/24/31/45/476243145.db2.gz IUGAUYGTQLOBDP-OAHLLOKOSA-N 1 0 325.368 2.769 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000359769612 476263400 /nfs/dbraw/zinc/26/34/00/476263400.db2.gz XUWQBTXYABQSQK-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000357306620 476324612 /nfs/dbraw/zinc/32/46/12/476324612.db2.gz NWZDPHKQLSPRLI-KRWDZBQOSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000357314884 476327966 /nfs/dbraw/zinc/32/79/66/476327966.db2.gz ZFQWKZWXVPMITO-IQMDTDKHSA-N 1 0 333.413 2.926 20 5 EFBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360647134 476328470 /nfs/dbraw/zinc/32/84/70/476328470.db2.gz NTPWTYGLONMJNA-AWEZNQCLSA-N 1 0 342.399 2.709 20 5 EFBDRO Cc1c(-c2noc([C@@H]3CCn4cncc4C3)n2)cccc1[N+](=O)[O-] ZINC000351143760 476346477 /nfs/dbraw/zinc/34/64/77/476346477.db2.gz GPYQWHKBIOAAFP-LLVKDONJSA-N 1 0 325.328 2.880 20 5 EFBDRO CC[C@H]1CN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000362673535 476347457 /nfs/dbraw/zinc/34/74/57/476347457.db2.gz ORJSDRCZCKWMGB-LBPRGKRZSA-N 1 0 345.346 2.719 20 5 EFBDRO CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000362677253 476348553 /nfs/dbraw/zinc/34/85/53/476348553.db2.gz XLXJKBSNVUCTGF-PBHICJAKSA-N 1 0 327.388 2.514 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363405451 476367484 /nfs/dbraw/zinc/36/74/84/476367484.db2.gz GKTXNDRBMQFKCE-GHMZBOCLSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363405453 476368410 /nfs/dbraw/zinc/36/84/10/476368410.db2.gz GKTXNDRBMQFKCE-QWRGUYRKSA-N 1 0 338.795 2.997 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)o2)c1 ZINC000360761713 476371497 /nfs/dbraw/zinc/37/14/97/476371497.db2.gz CLJFRZNGHZNBBV-LSDHHAIUSA-N 1 0 346.383 2.589 20 5 EFBDRO O=C(CC[NH+]1CCC(C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000362733136 476376770 /nfs/dbraw/zinc/37/67/70/476376770.db2.gz ISAMFIMFOPXBPH-UHFFFAOYSA-N 1 0 327.331 2.901 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(OCCO)CC2)o1 ZINC000354034084 476381669 /nfs/dbraw/zinc/38/16/69/476381669.db2.gz PABXWAHMGGNNKL-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000354040883 476385659 /nfs/dbraw/zinc/38/56/59/476385659.db2.gz PDANIFNFCHFARM-MAVJXHJTSA-N 1 0 332.400 2.878 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000360787365 476386882 /nfs/dbraw/zinc/38/68/82/476386882.db2.gz NEUQIOWAECMQMO-OAHLLOKOSA-N 1 0 333.432 2.716 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(O)C3)o2)c([N+](=O)[O-])c1 ZINC000354045078 476388337 /nfs/dbraw/zinc/38/83/37/476388337.db2.gz PMXNQAGQDFBSQB-QGZVFWFLSA-N 1 0 332.356 2.820 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000362773603 476401001 /nfs/dbraw/zinc/40/10/01/476401001.db2.gz FPKJRBJQGYWPSJ-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO CSc1cccc(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000362845221 476438631 /nfs/dbraw/zinc/43/86/31/476438631.db2.gz YCJUPFFOTHNWJF-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362850378 476439599 /nfs/dbraw/zinc/43/95/99/476439599.db2.gz BAMMIEHMSLXKBA-CJNGLKHVSA-N 1 0 334.420 2.637 20 5 EFBDRO C[NH+](C)Cc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362862243 476447969 /nfs/dbraw/zinc/44/79/69/476447969.db2.gz IRZHNJGETWKRSO-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000360885373 476453460 /nfs/dbraw/zinc/45/34/60/476453460.db2.gz RVXNYMNSQKKPSW-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000354178300 476483062 /nfs/dbraw/zinc/48/30/62/476483062.db2.gz VMZRMJBKCIAGQE-GOSISDBHSA-N 1 0 349.431 2.530 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000369709078 476487891 /nfs/dbraw/zinc/48/78/91/476487891.db2.gz NQINQOFNWCRRIH-CQSZACIVSA-N 1 0 329.356 2.534 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000369709077 476488011 /nfs/dbraw/zinc/48/80/11/476488011.db2.gz NQINQOFNWCRRIH-AWEZNQCLSA-N 1 0 329.356 2.534 20 5 EFBDRO CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000351652212 476488439 /nfs/dbraw/zinc/48/84/39/476488439.db2.gz QULVWYWGXCZTBY-OAHLLOKOSA-N 1 0 338.383 2.976 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000360944821 476493716 /nfs/dbraw/zinc/49/37/16/476493716.db2.gz PENLEPBXHMMYCX-JFIYKMOQSA-N 1 0 345.443 2.716 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377655461 476501567 /nfs/dbraw/zinc/50/15/67/476501567.db2.gz QCOTVECKRKSQNY-INIZCTEOSA-N 1 0 342.399 2.512 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363027139 476533773 /nfs/dbraw/zinc/53/37/73/476533773.db2.gz UVGYGFGZSZHBRF-NVXWUHKLSA-N 1 0 346.431 2.530 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000374852264 476555533 /nfs/dbraw/zinc/55/55/33/476555533.db2.gz BQPFPPQFZNBEQZ-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000374874347 476567198 /nfs/dbraw/zinc/56/71/98/476567198.db2.gz IZXCWVLGNQREDJ-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000365335856 476568205 /nfs/dbraw/zinc/56/82/05/476568205.db2.gz GYVDEQDPRPOLIY-AWEZNQCLSA-N 1 0 331.416 2.909 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000357755985 476581485 /nfs/dbraw/zinc/58/14/85/476581485.db2.gz BDCSWLATDMEDQN-INIZCTEOSA-N 1 0 332.356 2.724 20 5 EFBDRO COc1cccc(C2([NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000352257049 476591528 /nfs/dbraw/zinc/59/15/28/476591528.db2.gz OUILLKSWOWFKMF-UHFFFAOYSA-N 1 0 341.367 2.821 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374916800 476592219 /nfs/dbraw/zinc/59/22/19/476592219.db2.gz PSVYAQXTUKIVEP-FUHWJXTLSA-N 1 0 346.475 2.676 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377816376 476593899 /nfs/dbraw/zinc/59/38/99/476593899.db2.gz GHIUYZCTWAIHNX-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000369939418 476595941 /nfs/dbraw/zinc/59/59/41/476595941.db2.gz JHYMEHXBOYVDSB-ZDUSSCGKSA-N 1 0 346.387 2.893 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000374926822 476599597 /nfs/dbraw/zinc/59/95/97/476599597.db2.gz LFABQETXTDPIJN-UHFFFAOYSA-N 1 0 346.475 2.757 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000361100200 476601572 /nfs/dbraw/zinc/60/15/72/476601572.db2.gz XYMQOHYMXHPLJV-TZMCWYRMSA-N 1 0 334.420 2.628 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361129207 476621164 /nfs/dbraw/zinc/62/11/64/476621164.db2.gz DKOGCHYGNBRRJV-XJKSGUPXSA-N 1 0 345.399 2.643 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361129204 476621215 /nfs/dbraw/zinc/62/12/15/476621215.db2.gz DKOGCHYGNBRRJV-BBRMVZONSA-N 1 0 345.399 2.643 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000377887827 476629977 /nfs/dbraw/zinc/62/99/77/476629977.db2.gz HAPZCXQTAIOYQA-CYBMUJFWSA-N 1 0 330.388 2.717 20 5 EFBDRO Cn1cc(C[C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013124 476633328 /nfs/dbraw/zinc/63/33/28/476633328.db2.gz WFUDBKIEMRNSHJ-HNNXBMFYSA-N 1 0 344.415 2.662 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010967 476633768 /nfs/dbraw/zinc/63/37/68/476633768.db2.gz DDMPQMMGRIHSJY-RVKKMQEKSA-N 1 0 334.416 2.767 20 5 EFBDRO C[C@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000352326367 476637455 /nfs/dbraw/zinc/63/74/55/476637455.db2.gz GAOZTAOIZHQHRU-SWLSCSKDSA-N 1 0 345.399 2.595 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000357835775 476639036 /nfs/dbraw/zinc/63/90/36/476639036.db2.gz UNRGWKLOAPYENM-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000354402360 476640262 /nfs/dbraw/zinc/64/02/62/476640262.db2.gz MPVYCMBFQBIPJL-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000354406927 476642676 /nfs/dbraw/zinc/64/26/76/476642676.db2.gz SEOJGOYEVZZBNN-GXTWGEPZSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000354440550 476662686 /nfs/dbraw/zinc/66/26/86/476662686.db2.gz RUWXCDPOWPZGOT-HNNXBMFYSA-N 1 0 333.432 2.982 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000375083633 476672328 /nfs/dbraw/zinc/67/23/28/476672328.db2.gz GTISZPYSCKQUKL-LLVKDONJSA-N 1 0 338.795 2.950 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[NH+]1C ZINC000354460611 476674368 /nfs/dbraw/zinc/67/43/68/476674368.db2.gz ZTUHJMIUGWLGPM-QWRGUYRKSA-N 1 0 329.347 2.721 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000429774105 476688518 /nfs/dbraw/zinc/68/85/18/476688518.db2.gz MLAKROQGMHLHLF-UKRRQHHQSA-N 1 0 349.431 2.715 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421709633 476691156 /nfs/dbraw/zinc/69/11/56/476691156.db2.gz GFLMJKFXUBEUKU-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000413715459 476703047 /nfs/dbraw/zinc/70/30/47/476703047.db2.gz RNYKSEQQJLUXSQ-OAHLLOKOSA-N 1 0 349.431 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000365799889 476704806 /nfs/dbraw/zinc/70/48/06/476704806.db2.gz YEZPNSYISJJPHI-UHFFFAOYSA-N 1 0 331.332 2.537 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000429873097 476708356 /nfs/dbraw/zinc/70/83/56/476708356.db2.gz ZMTNTHJDLVGOGT-ZBFHGGJFSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)(C(=O)NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429911963 476716078 /nfs/dbraw/zinc/71/60/78/476716078.db2.gz UJOSGASMMDJXQL-UHFFFAOYSA-N 1 0 333.432 2.865 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])c1 ZINC000422627407 476722956 /nfs/dbraw/zinc/72/29/56/476722956.db2.gz OJUXACRVQUYSBE-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627978 476723453 /nfs/dbraw/zinc/72/34/53/476723453.db2.gz RKVPGZNNCJCNPW-CQSZACIVSA-N 1 0 325.368 2.742 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000422632257 476724559 /nfs/dbraw/zinc/72/45/59/476724559.db2.gz LYINKXONDSERBS-UHFFFAOYSA-N 1 0 331.416 2.817 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850081 476730540 /nfs/dbraw/zinc/73/05/40/476730540.db2.gz RHHQUIVNAICALZ-GTNSWQLSSA-N 1 0 344.371 2.553 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCCC1 ZINC000422700321 476734987 /nfs/dbraw/zinc/73/49/87/476734987.db2.gz GMSLUCBTARWXFG-UHFFFAOYSA-N 1 0 328.372 2.534 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000422711714 476739034 /nfs/dbraw/zinc/73/90/34/476739034.db2.gz FXQUHIFTVCKFSX-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H]([N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O ZINC000382809713 476746929 /nfs/dbraw/zinc/74/69/29/476746929.db2.gz OXMUXCQWTKRQPV-SECBINFHSA-N 1 0 331.210 2.949 20 5 EFBDRO CCC1(CC)CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000445654225 476757783 /nfs/dbraw/zinc/75/77/83/476757783.db2.gz KKGFWKYRDDHSHP-HNNXBMFYSA-N 1 0 345.399 2.739 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422760598 476764728 /nfs/dbraw/zinc/76/47/28/476764728.db2.gz QINAABLQLXBOBC-NWDGAFQWSA-N 1 0 337.445 2.825 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1(CNc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000386836749 476767367 /nfs/dbraw/zinc/76/73/67/476767367.db2.gz WXXHJCJQBJACOL-UHFFFAOYSA-N 1 0 327.388 2.851 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000430206026 476780825 /nfs/dbraw/zinc/78/08/25/476780825.db2.gz VMUPWZATCAOIEY-AWEZNQCLSA-N 1 0 349.431 2.588 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000445871465 476785822 /nfs/dbraw/zinc/78/58/22/476785822.db2.gz MBFUBWZGQKTJFJ-MRXNPFEDSA-N 1 0 334.416 2.991 20 5 EFBDRO CC(C)([NH3+])c1noc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000392035614 476821498 /nfs/dbraw/zinc/82/14/98/476821498.db2.gz JJIXESKJPSRGBC-UHFFFAOYSA-N 1 0 346.265 2.769 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000430385968 476823630 /nfs/dbraw/zinc/82/36/30/476823630.db2.gz OUDSXWFENUCPOZ-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000422883133 476827821 /nfs/dbraw/zinc/82/78/21/476827821.db2.gz BQXQOLNYHQUCJF-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000422891211 476830843 /nfs/dbraw/zinc/83/08/43/476830843.db2.gz USORNBCJIFLEBR-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452121173 476838323 /nfs/dbraw/zinc/83/83/23/476838323.db2.gz GJDOBRIQPVVLNL-STQMWFEESA-N 1 0 346.387 2.800 20 5 EFBDRO C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C[NH3+] ZINC000430541199 476850762 /nfs/dbraw/zinc/85/07/62/476850762.db2.gz AYFJMAARHZBFSH-CJNGLKHVSA-N 1 0 344.415 2.852 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397346654 476853999 /nfs/dbraw/zinc/85/39/99/476853999.db2.gz SFIIFFHWGLTURS-VWYCJHECSA-N 1 0 325.796 2.694 20 5 EFBDRO CC(C)[C@](C)(CN)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430553061 476855861 /nfs/dbraw/zinc/85/58/61/476855861.db2.gz SWTWGCINZVZQML-KRWDZBQOSA-N 1 0 332.404 2.755 20 5 EFBDRO COc1ccc(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422950157 476860519 /nfs/dbraw/zinc/86/05/19/476860519.db2.gz XFIPHKZQIBIENC-BBRMVZONSA-N 1 0 329.400 2.652 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457084252 476865657 /nfs/dbraw/zinc/86/56/57/476865657.db2.gz GFPOUAPXBXCIJX-ZDUSSCGKSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452174025 476869144 /nfs/dbraw/zinc/86/91/44/476869144.db2.gz OQFSEQAMBKLBHH-QWHCGFSZSA-N 1 0 349.406 2.780 20 5 EFBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430593321 476874038 /nfs/dbraw/zinc/87/40/38/476874038.db2.gz SEFPWZITVKMXJV-CQSZACIVSA-N 1 0 348.447 2.552 20 5 EFBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000366177198 476893745 /nfs/dbraw/zinc/89/37/45/476893745.db2.gz IYUZSWBAUMSNLJ-GOSISDBHSA-N 1 0 326.400 2.983 20 5 EFBDRO COc1cc(CN[C@@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414948488 476896746 /nfs/dbraw/zinc/89/67/46/476896746.db2.gz XJKPLAVWRBTRLC-ZDUSSCGKSA-N 1 0 345.399 2.619 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000430722904 476907464 /nfs/dbraw/zinc/90/74/64/476907464.db2.gz NWDYHWHDBPITRB-ZDUSSCGKSA-N 1 0 325.796 2.756 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404347089 476914306 /nfs/dbraw/zinc/91/43/06/476914306.db2.gz HJJQYXOVOBREDZ-QMTHXVAHSA-N 1 0 325.796 2.838 20 5 EFBDRO C[N@H+](CCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457188969 476918672 /nfs/dbraw/zinc/91/86/72/476918672.db2.gz SWWLMHCQZFOVQI-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000430814923 476920974 /nfs/dbraw/zinc/92/09/74/476920974.db2.gz KYJCQXSGQHCYPH-KGLIPLIRSA-N 1 0 336.436 2.564 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)C1CC1 ZINC000370661431 476921428 /nfs/dbraw/zinc/92/14/28/476921428.db2.gz FXYVEGXEXZIOST-HOTGVXAUSA-N 1 0 326.400 2.786 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000457210366 476928984 /nfs/dbraw/zinc/92/89/84/476928984.db2.gz VIPZKGVZZXLPTR-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO C[N@H+](CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000457210348 476929565 /nfs/dbraw/zinc/92/95/65/476929565.db2.gz VEGUYRHSURBOOJ-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000457213419 476930565 /nfs/dbraw/zinc/93/05/65/476930565.db2.gz ZCKXXQDOOSNQTP-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415506813 476931779 /nfs/dbraw/zinc/93/17/79/476931779.db2.gz SDDVIAUYEITRBC-AWEZNQCLSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415573496 476940627 /nfs/dbraw/zinc/94/06/27/476940627.db2.gz CGRROGCBFDUCEH-UHFFFAOYSA-N 1 0 332.404 2.819 20 5 EFBDRO CCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000430943330 476943985 /nfs/dbraw/zinc/94/39/85/476943985.db2.gz HMUZBOYSBPXTJU-MRXNPFEDSA-N 1 0 344.415 2.866 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)C1 ZINC000415658914 476949095 /nfs/dbraw/zinc/94/90/95/476949095.db2.gz MFXHASDBBTWMOL-KBPBESRZSA-N 1 0 349.431 2.937 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415660191 476950211 /nfs/dbraw/zinc/95/02/11/476950211.db2.gz PHIVUMBJGNAHSR-AWEZNQCLSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000447079135 476951038 /nfs/dbraw/zinc/95/10/38/476951038.db2.gz SZVWOBRWWUOIFI-LJQANCHMSA-N 1 0 341.411 2.952 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262594 476979312 /nfs/dbraw/zinc/97/93/12/476979312.db2.gz MVCBVYMADURQQF-DYVFJYSZSA-N 1 0 348.447 2.809 20 5 EFBDRO CCC([NH3+])(CC)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423293992 476985597 /nfs/dbraw/zinc/98/55/97/476985597.db2.gz SULLRNMGAQYZNO-OAHLLOKOSA-N 1 0 331.420 2.525 20 5 EFBDRO CCCC[C@H](C[NH3+])N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304457 476988267 /nfs/dbraw/zinc/98/82/67/476988267.db2.gz YWKSDNXNUXORTI-GDBMZVCRSA-N 1 0 331.420 2.525 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000375757426 476990691 /nfs/dbraw/zinc/99/06/91/476990691.db2.gz ZTSXXXSHORQSIQ-INIZCTEOSA-N 1 0 346.431 2.673 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000457370217 476992873 /nfs/dbraw/zinc/99/28/73/476992873.db2.gz IFWMTEBFUAQZPR-QWHCGFSZSA-N 1 0 349.456 2.777 20 5 EFBDRO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457382927 476997560 /nfs/dbraw/zinc/99/75/60/476997560.db2.gz DTTQRUGRJZXQHL-MRXNPFEDSA-N 1 0 348.447 2.826 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2ccccc2)n1 ZINC000447511040 476999979 /nfs/dbraw/zinc/99/99/79/476999979.db2.gz RVVRJJNDDZNWQU-JKSUJKDBSA-N 1 0 330.388 2.944 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(O)CCCCCC2)n1 ZINC000447535351 477006254 /nfs/dbraw/zinc/00/62/54/477006254.db2.gz FJXDIJWXEWOFAU-GJZGRUSLSA-N 1 0 336.436 2.950 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447545813 477009069 /nfs/dbraw/zinc/00/90/69/477009069.db2.gz YFGJSMKPHOOGOQ-PMPSAXMXSA-N 1 0 337.468 2.841 20 5 EFBDRO Cc1cnccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583789 477018881 /nfs/dbraw/zinc/01/88/81/477018881.db2.gz CILHLBNYWJKZGX-HOTGVXAUSA-N 1 0 329.404 2.811 20 5 EFBDRO COc1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] ZINC000370891082 477022868 /nfs/dbraw/zinc/02/28/68/477022868.db2.gz HYUSDIGDMFJAKM-HNNXBMFYSA-N 1 0 347.415 2.580 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000370906334 477033427 /nfs/dbraw/zinc/03/34/27/477033427.db2.gz VGNBOWRIYINCFR-OAHLLOKOSA-N 1 0 343.431 2.820 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000410642139 477035089 /nfs/dbraw/zinc/03/50/89/477035089.db2.gz XSNSEALYWQYUKL-KBPBESRZSA-N 1 0 333.432 2.814 20 5 EFBDRO Cn1ccnc1[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423472395 477041467 /nfs/dbraw/zinc/04/14/67/477041467.db2.gz FVFHUVXNFSZWLB-DOTOQJQBSA-N 1 0 343.431 2.540 20 5 EFBDRO C[NH+](C)[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000416158246 477045441 /nfs/dbraw/zinc/04/54/41/477045441.db2.gz SGYMPGMIGDTHQX-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000423507400 477053716 /nfs/dbraw/zinc/05/37/16/477053716.db2.gz QAHZQERSNRRZMR-ZJUUUORDSA-N 1 0 343.836 2.549 20 5 EFBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000375892894 477065933 /nfs/dbraw/zinc/06/59/33/477065933.db2.gz RFSDCXNIFFJLGP-NVXWUHKLSA-N 1 0 343.358 2.562 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000431666442 477072130 /nfs/dbraw/zinc/07/21/30/477072130.db2.gz TYLBXHPCNIQZGL-TZMCWYRMSA-N 1 0 334.420 2.612 20 5 EFBDRO C[NH+](C)[C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431728163 477084134 /nfs/dbraw/zinc/08/41/34/477084134.db2.gz NDQKOIXCIDSKSR-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1O ZINC000447902088 477087879 /nfs/dbraw/zinc/08/78/79/477087879.db2.gz JANZMKWJVDPYGQ-MRXNPFEDSA-N 1 0 337.420 2.519 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423639650 477096018 /nfs/dbraw/zinc/09/60/18/477096018.db2.gz DHWGEENUALAUPD-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000366610614 477096929 /nfs/dbraw/zinc/09/69/29/477096929.db2.gz SNTPHVHLNCUMMB-CQSZACIVSA-N 1 0 344.415 2.792 20 5 EFBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833885 477101414 /nfs/dbraw/zinc/10/14/14/477101414.db2.gz BJANNKGWLAVXRA-CRAIPNDOSA-N 1 0 343.427 2.928 20 5 EFBDRO CC[N@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000452846601 477105821 /nfs/dbraw/zinc/10/58/21/477105821.db2.gz KCQBXVTWHHZRNV-OAHLLOKOSA-N 1 0 331.416 2.785 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411100228 477113572 /nfs/dbraw/zinc/11/35/72/477113572.db2.gz NIWUXHOJOYYQAK-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731686 477126049 /nfs/dbraw/zinc/12/60/49/477126049.db2.gz YAODUZSAZNNSKX-PBHICJAKSA-N 1 0 331.416 2.993 20 5 EFBDRO CC(C)[NH+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411140497 477126134 /nfs/dbraw/zinc/12/61/34/477126134.db2.gz HNBBSMIEAKLATD-DLBZAZTESA-N 1 0 333.432 2.933 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000371138955 477145818 /nfs/dbraw/zinc/14/58/18/477145818.db2.gz ILGFISRGMZEQIW-NSHDSACASA-N 1 0 338.314 2.566 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000411236579 477165381 /nfs/dbraw/zinc/16/53/81/477165381.db2.gz IFNRIOHIGOHEBA-UHFFFAOYSA-N 1 0 347.415 2.739 20 5 EFBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411238588 477165962 /nfs/dbraw/zinc/16/59/62/477165962.db2.gz PHKODTSOXZWOJF-AWEZNQCLSA-N 1 0 349.431 2.939 20 5 EFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000453106307 477170076 /nfs/dbraw/zinc/17/00/76/477170076.db2.gz IOZLXLPHGDVBSR-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO C[C@@H]1C[N@@H+](CCN(C)c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432175959 477173766 /nfs/dbraw/zinc/17/37/66/477173766.db2.gz KJHIAGPMCAXCOG-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411285968 477182398 /nfs/dbraw/zinc/18/23/98/477182398.db2.gz WDZUZQDRRJUYEK-MRXNPFEDSA-N 1 0 335.404 2.670 20 5 EFBDRO CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411301439 477186093 /nfs/dbraw/zinc/18/60/93/477186093.db2.gz CZHPKXRLSGGKIP-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432315016 477193389 /nfs/dbraw/zinc/19/33/89/477193389.db2.gz SIDFCTHTAQBYLV-GFCCVEGCSA-N 1 0 327.812 2.753 20 5 EFBDRO O=[N+]([O-])c1cccc2c(N3CCN(Cc4ccncc4)CC3)ccnc21 ZINC000432322784 477195389 /nfs/dbraw/zinc/19/53/89/477195389.db2.gz NABVVNMPXYFANA-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432339543 477198095 /nfs/dbraw/zinc/19/80/95/477198095.db2.gz SQVIJYZQGQHCMA-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345528 477210705 /nfs/dbraw/zinc/21/07/05/477210705.db2.gz KENLYTREFCUJKI-ZOBORPQBSA-N 1 0 330.392 2.767 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411383642 477213414 /nfs/dbraw/zinc/21/34/14/477213414.db2.gz HBZWAILHHCHPDR-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000457843696 477227559 /nfs/dbraw/zinc/22/75/59/477227559.db2.gz CGVNJLXXFZQYOL-DZGCQCFKSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1cccc(C2(F)CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000366868419 477230239 /nfs/dbraw/zinc/23/02/39/477230239.db2.gz XRKBLKSEBUTQRV-UHFFFAOYSA-N 1 0 348.378 2.761 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423950689 477231186 /nfs/dbraw/zinc/23/11/86/477231186.db2.gz IOVFGMZSQHQSCY-CYBMUJFWSA-N 1 0 343.811 2.507 20 5 EFBDRO CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371316309 477237992 /nfs/dbraw/zinc/23/79/92/477237992.db2.gz CRHFGLANERJBGN-CWRNSKLLSA-N 1 0 349.431 2.507 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000423982609 477243933 /nfs/dbraw/zinc/24/39/33/477243933.db2.gz RSRLZNYAKFCOSK-INIZCTEOSA-N 1 0 343.383 2.596 20 5 EFBDRO COC(=O)c1cccc2c1CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000453595778 477245743 /nfs/dbraw/zinc/24/57/43/477245743.db2.gz HXOLXEGTIGKSKJ-UHFFFAOYSA-N 1 0 326.352 2.940 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000423984668 477246153 /nfs/dbraw/zinc/24/61/53/477246153.db2.gz UPBSEWUBIPCABD-QGZVFWFLSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000411475532 477249302 /nfs/dbraw/zinc/24/93/02/477249302.db2.gz SITWHJAOEJMBTI-LSDHHAIUSA-N 1 0 347.415 2.739 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411475511 477249761 /nfs/dbraw/zinc/24/97/61/477249761.db2.gz SITWHJAOEJMBTI-CABCVRRESA-N 1 0 347.415 2.739 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000371333729 477250351 /nfs/dbraw/zinc/25/03/51/477250351.db2.gz BLMYACGLPVOVDG-FUHWJXTLSA-N 1 0 344.415 2.725 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366906704 477250750 /nfs/dbraw/zinc/25/07/50/477250750.db2.gz YUIHGFUTSIFQPT-STQMWFEESA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424000351 477254782 /nfs/dbraw/zinc/25/47/82/477254782.db2.gz BOXKYSHHGOUZMU-ZJUUUORDSA-N 1 0 345.321 2.671 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424010284 477259819 /nfs/dbraw/zinc/25/98/19/477259819.db2.gz IIMSYNJYWBXUNF-AGIUHOORSA-N 1 0 337.445 2.519 20 5 EFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCNC(=O)C1CCC1 ZINC000432787700 477264662 /nfs/dbraw/zinc/26/46/62/477264662.db2.gz UOWRBLOXQWFACJ-YHYXMXQVSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424044942 477271756 /nfs/dbraw/zinc/27/17/56/477271756.db2.gz GPCRGSRVUPATMW-UHFFFAOYSA-N 1 0 334.401 2.576 20 5 EFBDRO Cc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424043467 477271856 /nfs/dbraw/zinc/27/18/56/477271856.db2.gz YOZRFLZOACGDQV-GOEBONIOSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424046693 477272277 /nfs/dbraw/zinc/27/22/77/477272277.db2.gz SQIFIUPJQWBTON-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000411576057 477281219 /nfs/dbraw/zinc/28/12/19/477281219.db2.gz YTJKSBZZQVSWPX-DOMZBBRYSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411576484 477281356 /nfs/dbraw/zinc/28/13/56/477281356.db2.gz ZGWRXRBNEHEBQC-DOMZBBRYSA-N 1 0 333.388 2.806 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](O)C34CCCC4)n2)cc1 ZINC000433015560 477297715 /nfs/dbraw/zinc/29/77/15/477297715.db2.gz XSUFOBKDDDOIMK-CQSZACIVSA-N 1 0 344.371 2.524 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454625600 477299035 /nfs/dbraw/zinc/29/90/35/477299035.db2.gz FOTAOVNHDLYMEM-DOTOQJQBSA-N 1 0 346.431 2.578 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000458169491 477299883 /nfs/dbraw/zinc/29/98/83/477299883.db2.gz OJNRTNKHTKYYJY-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411635782 477303399 /nfs/dbraw/zinc/30/33/99/477303399.db2.gz DNZAZKQRLZPELC-KRWDZBQOSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(=O)c1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376393379 477312882 /nfs/dbraw/zinc/31/28/82/477312882.db2.gz ARTAHHBYWZMPPV-HNNXBMFYSA-N 1 0 331.416 2.966 20 5 EFBDRO CSc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458193521 477315009 /nfs/dbraw/zinc/31/50/09/477315009.db2.gz PPBZDEQCIOLEOQ-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673773 477322143 /nfs/dbraw/zinc/32/21/43/477322143.db2.gz NEZNJAUKVUVJMY-BBRMVZONSA-N 1 0 335.404 2.549 20 5 EFBDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000424191517 477323869 /nfs/dbraw/zinc/32/38/69/477323869.db2.gz RJAFKHPLFPFLNW-UHFFFAOYSA-N 1 0 341.411 2.824 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411691443 477330193 /nfs/dbraw/zinc/33/01/93/477330193.db2.gz CBBPYASJYKBRQN-JKSUJKDBSA-N 1 0 333.388 2.567 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424219188 477333242 /nfs/dbraw/zinc/33/32/42/477333242.db2.gz ZWFHGHLYSHXUHF-GHMZBOCLSA-N 1 0 343.836 2.726 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000411697701 477333681 /nfs/dbraw/zinc/33/36/81/477333681.db2.gz SEHYXBJEUQZPMT-JCGIZDLHSA-N 1 0 345.443 2.935 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448907971 477335574 /nfs/dbraw/zinc/33/55/74/477335574.db2.gz FCGAEHAHZUDIHX-UHFFFAOYSA-N 1 0 349.431 2.604 20 5 EFBDRO Cc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469952 477338721 /nfs/dbraw/zinc/33/87/21/477338721.db2.gz HKWLWPSLEIIHCH-SOLBZPMBSA-N 1 0 333.432 2.587 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000376446136 477339299 /nfs/dbraw/zinc/33/92/99/477339299.db2.gz FJBUQZRCDIVYKY-IAQYHMDHSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000371469953 477339489 /nfs/dbraw/zinc/33/94/89/477339489.db2.gz HKWLWPSLEIIHCH-XYJFISCASA-N 1 0 333.432 2.587 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411724652 477344885 /nfs/dbraw/zinc/34/48/85/477344885.db2.gz YXHWRCCVEBRXNS-RHSMWYFYSA-N 1 0 349.431 2.939 20 5 EFBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000367129282 477357134 /nfs/dbraw/zinc/35/71/34/477357134.db2.gz PBMLCCHXPWCQHZ-KRWDZBQOSA-N 1 0 327.384 2.902 20 5 EFBDRO CCC[C@H]([NH2+]CCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000424310278 477365832 /nfs/dbraw/zinc/36/58/32/477365832.db2.gz RZNYAOXTZRNRFB-HNNXBMFYSA-N 1 0 328.434 2.850 20 5 EFBDRO CCc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000371520773 477368767 /nfs/dbraw/zinc/36/87/67/477368767.db2.gz WISMALYSJTZBRE-UHFFFAOYSA-N 1 0 331.416 2.858 20 5 EFBDRO O=C(CC[N@@H+]1CCSC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411793408 477370811 /nfs/dbraw/zinc/37/08/11/477370811.db2.gz RXNOEWOFCBRYQG-HNNXBMFYSA-N 1 0 335.429 2.751 20 5 EFBDRO O=C(CC[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411796291 477371689 /nfs/dbraw/zinc/37/16/89/477371689.db2.gz VUGRWVNQXFVPNT-OAHLLOKOSA-N 1 0 335.429 2.751 20 5 EFBDRO O=C(NCC[NH+]1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813563 477375540 /nfs/dbraw/zinc/37/55/40/477375540.db2.gz JWWCRQFDQKJGMT-UHFFFAOYSA-N 1 0 335.407 2.507 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367174364 477376741 /nfs/dbraw/zinc/37/67/41/477376741.db2.gz UWPOQBREKBHULE-MRXNPFEDSA-N 1 0 326.400 2.888 20 5 EFBDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517741 477378705 /nfs/dbraw/zinc/37/87/05/477378705.db2.gz BNZPLCIEQBHFSU-SJORKVTESA-N 1 0 344.415 2.902 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000367206928 477393958 /nfs/dbraw/zinc/39/39/58/477393958.db2.gz VARAVACGQPKMEZ-AWEZNQCLSA-N 1 0 348.321 2.753 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000371597500 477403446 /nfs/dbraw/zinc/40/34/46/477403446.db2.gz QNYJOCNZNBWTDK-AWEZNQCLSA-N 1 0 347.415 2.740 20 5 EFBDRO Cc1cc(C)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000454861651 477407690 /nfs/dbraw/zinc/40/76/90/477407690.db2.gz WPNKCYSKKGICII-UHFFFAOYSA-N 1 0 328.372 2.914 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367239880 477409539 /nfs/dbraw/zinc/40/95/39/477409539.db2.gz UYEAFZRRGFVZBA-CQSZACIVSA-N 1 0 348.321 2.883 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449075754 477423909 /nfs/dbraw/zinc/42/39/09/477423909.db2.gz WADBOBRXTCBGJV-ZDUSSCGKSA-N 1 0 327.384 2.675 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000449088760 477433671 /nfs/dbraw/zinc/43/36/71/477433671.db2.gz CCNAWZOASCJRME-CABCVRRESA-N 1 0 341.411 2.820 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376622895 477434038 /nfs/dbraw/zinc/43/40/38/477434038.db2.gz YCJXGITWCWPFII-FEAKQIBJSA-N 1 0 329.400 2.741 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449094822 477436396 /nfs/dbraw/zinc/43/63/96/477436396.db2.gz ULXNIEYJEIQBSE-HNNXBMFYSA-N 1 0 341.411 2.854 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458479531 477441613 /nfs/dbraw/zinc/44/16/13/477441613.db2.gz QWQIXLPOPZUBHC-UHFFFAOYSA-N 1 0 336.436 2.557 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)CC1CCCC1 ZINC000449110843 477444007 /nfs/dbraw/zinc/44/40/07/477444007.db2.gz HBHAGEDPLRHVSC-CQSZACIVSA-N 1 0 333.432 2.812 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449125107 477449457 /nfs/dbraw/zinc/44/94/57/477449457.db2.gz IHFNNVWBNKOEPD-DZGCQCFKSA-N 1 0 343.431 2.845 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000449131433 477451947 /nfs/dbraw/zinc/45/19/47/477451947.db2.gz MQDLDHMSTRYHBV-INIZCTEOSA-N 1 0 347.459 2.760 20 5 EFBDRO O=c1ccn(Cc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000412996672 477467543 /nfs/dbraw/zinc/46/75/43/477467543.db2.gz GOEZHWHSWOGGLL-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000436384559 477473598 /nfs/dbraw/zinc/47/35/98/477473598.db2.gz GMWCLIUQZVIRAL-OWUNDVQQSA-N 1 0 334.416 2.764 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418646580 477481123 /nfs/dbraw/zinc/48/11/23/477481123.db2.gz SMUUBWXQDNAOEG-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413040299 477483096 /nfs/dbraw/zinc/48/30/96/477483096.db2.gz TVFVNWGCPCQQKZ-INIZCTEOSA-N 1 0 344.415 2.912 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449203675 477483745 /nfs/dbraw/zinc/48/37/45/477483745.db2.gz LMLNKVBRWOCPBX-RYUDHWBXSA-N 1 0 337.807 2.710 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202843 477483846 /nfs/dbraw/zinc/48/38/46/477483846.db2.gz KKRZZMMSOIPZCI-STQMWFEESA-N 1 0 343.383 2.803 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449203674 477484068 /nfs/dbraw/zinc/48/40/68/477484068.db2.gz LMLNKVBRWOCPBX-NWDGAFQWSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449204856 477485570 /nfs/dbraw/zinc/48/55/70/477485570.db2.gz JVCGFUCZSLDBHK-LSDHHAIUSA-N 1 0 345.443 2.721 20 5 EFBDRO O=[N+]([O-])c1cnc(NCCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413048041 477486026 /nfs/dbraw/zinc/48/60/26/477486026.db2.gz HOSJORIAGZIITG-UHFFFAOYSA-N 1 0 330.363 2.989 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000449236762 477499101 /nfs/dbraw/zinc/49/91/01/477499101.db2.gz LHJREUSFYUMKFZ-CYBMUJFWSA-N 1 0 339.395 2.602 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000455110326 477503454 /nfs/dbraw/zinc/50/34/54/477503454.db2.gz WOVOJADEFNBJGZ-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO CCn1ccnc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455113698 477504263 /nfs/dbraw/zinc/50/42/63/477504263.db2.gz VIUHTHUFEHADFR-NWDGAFQWSA-N 1 0 331.376 2.933 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000449261333 477513153 /nfs/dbraw/zinc/51/31/53/477513153.db2.gz BELUJUDYKAZBRQ-QIIPPGSGSA-N 1 0 344.415 2.627 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000449265539 477514728 /nfs/dbraw/zinc/51/47/28/477514728.db2.gz SBRUFKKRENKZSX-DDUZABMNSA-N 1 0 344.415 2.769 20 5 EFBDRO COc1cc(C)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000449287999 477527591 /nfs/dbraw/zinc/52/75/91/477527591.db2.gz LXMONIDVHPZHMQ-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCOCC1 ZINC000413139812 477540999 /nfs/dbraw/zinc/54/09/99/477540999.db2.gz KVGWUJLTDWMSGO-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+]1CCOCC1 ZINC000413153771 477543576 /nfs/dbraw/zinc/54/35/76/477543576.db2.gz LXSRPVQLASJZJA-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449349527 477557697 /nfs/dbraw/zinc/55/76/97/477557697.db2.gz QDHRTNWKKKXQNF-LBPRGKRZSA-N 1 0 348.428 2.739 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000449350113 477558469 /nfs/dbraw/zinc/55/84/69/477558469.db2.gz YXVIJTNGEUBZHI-CQSZACIVSA-N 1 0 333.432 2.910 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1[NH+](C)C ZINC000413211927 477572412 /nfs/dbraw/zinc/57/24/12/477572412.db2.gz QLZHUTPCUXSSCQ-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000449746047 477572596 /nfs/dbraw/zinc/57/25/96/477572596.db2.gz QAKHIRQBOFENRW-SCOADAFUSA-N 1 0 346.431 2.734 20 5 EFBDRO CC[NH+](CC)CCOCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413230050 477580738 /nfs/dbraw/zinc/58/07/38/477580738.db2.gz KLPKXOJAKSMAOS-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455321034 477587383 /nfs/dbraw/zinc/58/73/83/477587383.db2.gz BLYQVCJLMPEHQJ-MRXNPFEDSA-N 1 0 336.367 2.684 20 5 EFBDRO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413259075 477594756 /nfs/dbraw/zinc/59/47/56/477594756.db2.gz HMGUUACSOGQMSK-GFCCVEGCSA-N 1 0 332.326 2.785 20 5 EFBDRO Cc1nc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450419027 477594869 /nfs/dbraw/zinc/59/48/69/477594869.db2.gz NFMREYUDSJGIFY-KBPBESRZSA-N 1 0 341.415 2.792 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000372009601 477598980 /nfs/dbraw/zinc/59/89/80/477598980.db2.gz KXLSTWILMVRQMS-CYBMUJFWSA-N 1 0 338.379 2.991 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000413270081 477600569 /nfs/dbraw/zinc/60/05/69/477600569.db2.gz PZIKVORDQGVCMI-GASCZTMLSA-N 1 0 342.374 2.697 20 5 EFBDRO CCOC(=O)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000450480832 477601733 /nfs/dbraw/zinc/60/17/33/477601733.db2.gz CMMMOXMUXZFNJX-UHFFFAOYSA-N 1 0 341.367 2.725 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000367615393 477602517 /nfs/dbraw/zinc/60/25/17/477602517.db2.gz KLSFUMJEGXKPOC-GVDBMIGSSA-N 1 0 344.415 2.732 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000450481235 477603198 /nfs/dbraw/zinc/60/31/98/477603198.db2.gz DKKWTPOEUWEDDR-OAHLLOKOSA-N 1 0 347.415 2.739 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425042998 477615308 /nfs/dbraw/zinc/61/53/08/477615308.db2.gz FFUGKPBMOWWPCA-DVOMOZLQSA-N 1 0 349.456 2.628 20 5 EFBDRO CSC1(CNc2nccc3cc([N+](=O)[O-])ccc32)CC[NH+](C)CC1 ZINC000450533345 477622866 /nfs/dbraw/zinc/62/28/66/477622866.db2.gz UFPPXLCAEPQCLL-UHFFFAOYSA-N 1 0 346.456 2.804 20 5 EFBDRO C[NH2+]C[C@@H](C)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420188101 477632970 /nfs/dbraw/zinc/63/29/70/477632970.db2.gz FBWXXUBQCNGYOU-SSDOTTSWSA-N 1 0 342.268 2.911 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458893620 477645360 /nfs/dbraw/zinc/64/53/60/477645360.db2.gz WMKRQDDMCDCBOY-DZGCQCFKSA-N 1 0 334.420 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(C(F)(F)F)c1 ZINC000450599581 477648509 /nfs/dbraw/zinc/64/85/09/477648509.db2.gz STWSTTOJHDXSJY-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000420288286 477665393 /nfs/dbraw/zinc/66/53/93/477665393.db2.gz RYOMMJWCEQJRHW-SCZZXKLOSA-N 1 0 329.198 2.682 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155894 477665960 /nfs/dbraw/zinc/66/59/60/477665960.db2.gz HUODNRREKIPRTJ-KKUMJFAQSA-N 1 0 347.415 2.589 20 5 EFBDRO COc1ccc([C@@H](C[NH3+])CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000420303390 477676623 /nfs/dbraw/zinc/67/66/23/477676623.db2.gz NFYKPHIJYXHXMX-KRWDZBQOSA-N 1 0 341.411 2.704 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](Cc2nccn2C)C1 ZINC000377176085 477678596 /nfs/dbraw/zinc/67/85/96/477678596.db2.gz PVXZDPBORKCWNI-CQSZACIVSA-N 1 0 342.399 2.990 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000425419749 477682404 /nfs/dbraw/zinc/68/24/04/477682404.db2.gz LKFXXEFYJFWYNN-MNOVXSKESA-N 1 0 342.237 2.882 20 5 EFBDRO COc1ccc([C@@H](C[NH3+])CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000420326249 477693566 /nfs/dbraw/zinc/69/35/66/477693566.db2.gz XBRCCCKOCMVVJO-INIZCTEOSA-N 1 0 329.400 2.778 20 5 EFBDRO CC(C)(C)[C@H](CN)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420358428 477719680 /nfs/dbraw/zinc/71/96/80/477719680.db2.gz ISSXXUQTMKFFTN-HNNXBMFYSA-N 1 0 332.404 2.755 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000426928048 477760056 /nfs/dbraw/zinc/76/00/56/477760056.db2.gz XFXJEUHOVXVODR-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000367936743 477761447 /nfs/dbraw/zinc/76/14/47/477761447.db2.gz YYRSFIOMMOBEBL-AWEZNQCLSA-N 1 0 347.415 2.710 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)C3CCOCC3)o2)c1 ZINC000438334511 477827078 /nfs/dbraw/zinc/82/70/78/477827078.db2.gz XYOARZGYBBHKAS-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000438336958 477829386 /nfs/dbraw/zinc/82/93/86/477829386.db2.gz CYXHEQLLIIVVRN-HNNXBMFYSA-N 1 0 349.475 2.995 20 5 EFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420959720 477857763 /nfs/dbraw/zinc/85/77/63/477857763.db2.gz QSFYNQLBLQZYEK-HOTGVXAUSA-N 1 0 335.404 2.813 20 5 EFBDRO CCOCC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493877179 477869942 /nfs/dbraw/zinc/86/99/42/477869942.db2.gz YXSKTTZGYUUZHE-ZDUSSCGKSA-N 1 0 341.839 2.791 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515908083 477872170 /nfs/dbraw/zinc/87/21/70/477872170.db2.gz XIHNKOZROBHZIL-XJKSGUPXSA-N 1 0 348.374 2.867 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456344630 477874596 /nfs/dbraw/zinc/87/45/96/477874596.db2.gz HJCVPMXYBJMOOS-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515988878 477878096 /nfs/dbraw/zinc/87/80/96/477878096.db2.gz PULAWIINKKAXRZ-SCLBCKFNSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000456350413 477878479 /nfs/dbraw/zinc/87/84/79/477878479.db2.gz WDGDHJNLXVVHDH-CQSZACIVSA-N 1 0 342.399 2.517 20 5 EFBDRO CCCc1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378200 477879109 /nfs/dbraw/zinc/87/91/09/477879109.db2.gz IGHKAYAOBISQDU-ZDUSSCGKSA-N 1 0 345.403 2.925 20 5 EFBDRO CCCc1nc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378193 477879780 /nfs/dbraw/zinc/87/97/80/477879780.db2.gz IGHKAYAOBISQDU-CYBMUJFWSA-N 1 0 345.403 2.925 20 5 EFBDRO C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494000777 477899103 /nfs/dbraw/zinc/89/91/03/477899103.db2.gz UXKVMBCANGWJNT-UHFFFAOYSA-N 1 0 338.367 2.807 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000516250299 477913579 /nfs/dbraw/zinc/91/35/79/477913579.db2.gz FJZHFESUGVOMSE-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276847 477918003 /nfs/dbraw/zinc/91/80/03/477918003.db2.gz OCUPQCUHTNCSBM-HZPDHXFCSA-N 1 0 340.445 2.783 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)ccc1[N+](=O)[O-] ZINC000421033772 477921672 /nfs/dbraw/zinc/92/16/72/477921672.db2.gz NBFNMWYBEZLGPY-ZDUSSCGKSA-N 1 0 338.404 2.667 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451296862 477937179 /nfs/dbraw/zinc/93/71/79/477937179.db2.gz BNBVFVNVKHRVCW-HWWQOWPSSA-N 1 0 340.807 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC(F)F)o1 ZINC000428649321 477948411 /nfs/dbraw/zinc/94/84/11/477948411.db2.gz KYONZEZXWZZHGR-SNVBAGLBSA-N 1 0 326.299 2.961 20 5 EFBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000494242273 477951117 /nfs/dbraw/zinc/95/11/17/477951117.db2.gz RETNYDGTZBKQMA-PXAZEXFGSA-N 1 0 331.372 2.949 20 5 EFBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000494291471 477960849 /nfs/dbraw/zinc/96/08/49/477960849.db2.gz WTZPEGFWXONHDV-NTCAYCPXSA-N 1 0 327.384 2.792 20 5 EFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000516636879 477965900 /nfs/dbraw/zinc/96/59/00/477965900.db2.gz ZFWAAUUBBHOFKG-UHFFFAOYSA-N 1 0 331.347 2.895 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421110193 477966937 /nfs/dbraw/zinc/96/69/37/477966937.db2.gz AWPHPRMBZKEGCD-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428730931 477970826 /nfs/dbraw/zinc/97/08/26/477970826.db2.gz QILQJYHIJLGMMH-ZIAGYGMSSA-N 1 0 331.416 2.959 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000494480147 477995282 /nfs/dbraw/zinc/99/52/82/477995282.db2.gz YIRXCNPTRGVQPL-ROUUACIJSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414597 478001760 /nfs/dbraw/zinc/00/17/60/478001760.db2.gz IJYVDDWMIZOPEI-YYQUZTFQSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451414595 478001938 /nfs/dbraw/zinc/00/19/38/478001938.db2.gz IJYVDDWMIZOPEI-BASLNEPJSA-N 1 0 347.415 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)nc2c1 ZINC000451420213 478007659 /nfs/dbraw/zinc/00/76/59/478007659.db2.gz NAQWKWBBYSNDGR-DAXOMENPSA-N 1 0 330.388 2.597 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451451862 478024373 /nfs/dbraw/zinc/02/43/73/478024373.db2.gz BNMFFNBIYSWPAL-OAHLLOKOSA-N 1 0 333.388 2.854 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451454242 478026658 /nfs/dbraw/zinc/02/66/58/478026658.db2.gz HVFHBVVQHZKGJL-HNNXBMFYSA-N 1 0 333.388 2.854 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451457837 478027983 /nfs/dbraw/zinc/02/79/83/478027983.db2.gz NTOXNBCYALUGEQ-MRXNPFEDSA-N 1 0 329.400 2.796 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000494657233 478035388 /nfs/dbraw/zinc/03/53/88/478035388.db2.gz YXNFBVVWGCLWJZ-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000451475468 478037512 /nfs/dbraw/zinc/03/75/12/478037512.db2.gz CQBVGMRYXGQPBY-DJIMGWMZSA-N 1 0 347.415 2.717 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451477140 478037785 /nfs/dbraw/zinc/03/77/85/478037785.db2.gz HGIFYXQJBLEBJI-IAOVAPTHSA-N 1 0 347.415 2.635 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451480014 478039672 /nfs/dbraw/zinc/03/96/72/478039672.db2.gz NZFXERLCAIUDPG-APHBMKBZSA-N 1 0 347.415 2.859 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000429033003 478045675 /nfs/dbraw/zinc/04/56/75/478045675.db2.gz YWNKRZNPSBQPAS-IIYDPXPESA-N 1 0 343.431 2.633 20 5 EFBDRO NC(=O)CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000421351719 478046181 /nfs/dbraw/zinc/04/61/81/478046181.db2.gz ORVJVCGAOGYDHC-UHFFFAOYSA-N 1 0 329.356 2.600 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451491822 478047602 /nfs/dbraw/zinc/04/76/02/478047602.db2.gz CIEFOKRIYGYVKG-CSMYWGQOSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451490466 478048009 /nfs/dbraw/zinc/04/80/09/478048009.db2.gz IBNDXISRDBHVHD-CHWSQXEVSA-N 1 0 341.795 2.590 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451491250 478048540 /nfs/dbraw/zinc/04/85/40/478048540.db2.gz BFAXPYHUBTWFRU-HFBAOOFYSA-N 1 0 335.404 2.573 20 5 EFBDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000451491664 478048602 /nfs/dbraw/zinc/04/86/02/478048602.db2.gz HVNUYYSADMYRPA-JKSUJKDBSA-N 1 0 344.415 2.765 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000439917777 478049885 /nfs/dbraw/zinc/04/98/85/478049885.db2.gz SWUPHEAUMAZZNJ-AAEUAGOBSA-N 1 0 336.392 2.598 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499876 478054637 /nfs/dbraw/zinc/05/46/37/478054637.db2.gz XPGBQGVKGKPOGM-GUYCJALGSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451499878 478054799 /nfs/dbraw/zinc/05/47/99/478054799.db2.gz XPGBQGVKGKPOGM-SUMWQHHRSA-N 1 0 335.404 2.635 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451506881 478057399 /nfs/dbraw/zinc/05/73/99/478057399.db2.gz WJBJVHSXKUPGIF-TZTCFGBESA-N 1 0 326.368 2.892 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451506880 478058113 /nfs/dbraw/zinc/05/81/13/478058113.db2.gz WJBJVHSXKUPGIF-DFKRKDTASA-N 1 0 326.368 2.892 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451508830 478058824 /nfs/dbraw/zinc/05/88/24/478058824.db2.gz YLZYRJVCFOENPU-CSMYWGQOSA-N 1 0 349.431 2.881 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1(O)CCC1 ZINC000421372152 478059559 /nfs/dbraw/zinc/05/95/59/478059559.db2.gz KLLYMZADZFKJAF-ZDUSSCGKSA-N 1 0 335.404 2.597 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CCO)CC3)o2)c1 ZINC000533281840 478059722 /nfs/dbraw/zinc/05/97/22/478059722.db2.gz VDCSBIDKUZICTF-UHFFFAOYSA-N 1 0 345.399 2.887 20 5 EFBDRO CCO[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000451523236 478065055 /nfs/dbraw/zinc/06/50/55/478065055.db2.gz JAKLLNVMBLSKGA-IUODEOHRSA-N 1 0 346.387 2.892 20 5 EFBDRO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000494812328 478068682 /nfs/dbraw/zinc/06/86/82/478068682.db2.gz MYVQXBOJJZNGAT-UHFFFAOYSA-N 1 0 328.796 2.612 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740655 478068833 /nfs/dbraw/zinc/06/88/33/478068833.db2.gz BLPYPLDUZRZIFH-UONOGXRCSA-N 1 0 344.371 2.692 20 5 EFBDRO CON1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000421393464 478069799 /nfs/dbraw/zinc/06/97/99/478069799.db2.gz DROKMJXLJFQNEN-UHFFFAOYSA-N 1 0 331.372 2.970 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459742826 478069942 /nfs/dbraw/zinc/06/99/42/478069942.db2.gz CZJJRPKKAQGBRG-JKSUJKDBSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740658 478070019 /nfs/dbraw/zinc/07/00/19/478070019.db2.gz BLPYPLDUZRZIFH-ZIAGYGMSSA-N 1 0 344.371 2.692 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000459749042 478072852 /nfs/dbraw/zinc/07/28/52/478072852.db2.gz ILATWLAXZINFKJ-QGZVFWFLSA-N 1 0 334.372 2.735 20 5 EFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000421402219 478076508 /nfs/dbraw/zinc/07/65/08/478076508.db2.gz DIFBDJYXIDXDSB-QGZVFWFLSA-N 1 0 343.431 2.521 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540901 478076740 /nfs/dbraw/zinc/07/67/40/478076740.db2.gz LFUSWBDUCXNENV-DYVFJYSZSA-N 1 0 349.431 2.979 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459762735 478079585 /nfs/dbraw/zinc/07/95/85/478079585.db2.gz NNNPQQZUXJRXEN-JKSUJKDBSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000459772059 478084481 /nfs/dbraw/zinc/08/44/81/478084481.db2.gz RWJJNOFLENHOTE-KBPBESRZSA-N 1 0 344.371 2.692 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451550041 478084602 /nfs/dbraw/zinc/08/46/02/478084602.db2.gz WJFBMAMWMKOZFG-CZUORRHYSA-N 1 0 338.404 2.729 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000429234454 478084964 /nfs/dbraw/zinc/08/49/64/478084964.db2.gz HFABQVPXDQSJCU-CQSZACIVSA-N 1 0 348.374 2.999 20 5 EFBDRO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548749 478084858 /nfs/dbraw/zinc/08/48/58/478084858.db2.gz OGSSWXHSXGVOCC-FUHWJXTLSA-N 1 0 336.432 2.808 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459786125 478089767 /nfs/dbraw/zinc/08/97/67/478089767.db2.gz CYENXOXCAHHSBO-DOTOQJQBSA-N 1 0 334.416 2.847 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429278115 478097126 /nfs/dbraw/zinc/09/71/26/478097126.db2.gz XIRTXKQTSVLLFA-CQSZACIVSA-N 1 0 330.384 2.859 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487987998 478099818 /nfs/dbraw/zinc/09/98/18/478099818.db2.gz MCEYKELPAGJKIH-HIFRSBDPSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429390219 478127258 /nfs/dbraw/zinc/12/72/58/478127258.db2.gz YGZPMXZXLYKYOP-AWEZNQCLSA-N 1 0 333.432 2.910 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534144706 478128282 /nfs/dbraw/zinc/12/82/82/478128282.db2.gz RIZROCYUNDSVHC-XJKSGUPXSA-N 1 0 338.411 2.973 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534144704 478128375 /nfs/dbraw/zinc/12/83/75/478128375.db2.gz RIZROCYUNDSVHC-CZUORRHYSA-N 1 0 338.411 2.973 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)CC(F)F ZINC000429452305 478136389 /nfs/dbraw/zinc/13/63/89/478136389.db2.gz LQJAJYFWUVUILN-UBHSHLNASA-N 1 0 328.359 2.912 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518045626 478140122 /nfs/dbraw/zinc/14/01/22/478140122.db2.gz ZWSHWZIOMHRSLW-KRWDZBQOSA-N 1 0 348.447 2.877 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000451647132 478140738 /nfs/dbraw/zinc/14/07/38/478140738.db2.gz LVSHEJUSPIPCCI-HNNXBMFYSA-N 1 0 338.429 2.810 20 5 EFBDRO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229115 478147388 /nfs/dbraw/zinc/14/73/88/478147388.db2.gz NHFYZUSFWZPTRC-BDJLRTHQSA-N 1 0 332.360 2.553 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000451698763 478162268 /nfs/dbraw/zinc/16/22/68/478162268.db2.gz JVPHSECOXSCSJK-OWCLPIDISA-N 1 0 334.416 2.976 20 5 EFBDRO CO[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1OC ZINC000488571852 478163815 /nfs/dbraw/zinc/16/38/15/478163815.db2.gz HBIFPEAFQQARGC-IAGOWNOFSA-N 1 0 332.356 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000440822969 478165606 /nfs/dbraw/zinc/16/56/06/478165606.db2.gz UXLPMRBPKOWYLA-IBGZPJMESA-N 1 0 326.396 2.951 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000451701258 478166831 /nfs/dbraw/zinc/16/68/31/478166831.db2.gz PQXUEGSCLGLNBF-DYEKYZERSA-N 1 0 338.379 2.725 20 5 EFBDRO COC(=O)C[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000429672567 478170820 /nfs/dbraw/zinc/17/08/20/478170820.db2.gz OPERHQYEVJBCGS-GOSISDBHSA-N 1 0 343.383 2.600 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716347 478173338 /nfs/dbraw/zinc/17/33/38/478173338.db2.gz BTZMEGBHBKHMSU-OUCADQQQSA-N 1 0 337.395 2.909 20 5 EFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716348 478173775 /nfs/dbraw/zinc/17/37/75/478173775.db2.gz BTZMEGBHBKHMSU-SGMGOOAPSA-N 1 0 337.395 2.909 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429766703 478188708 /nfs/dbraw/zinc/18/87/08/478188708.db2.gz MWBOUYFCVGZBNP-HIFRSBDPSA-N 1 0 349.431 2.715 20 5 EFBDRO CCOc1cc(CN2CC[S@@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451762202 478194095 /nfs/dbraw/zinc/19/40/95/478194095.db2.gz WFGOVEWAYHTBKJ-HSZRJFAPSA-N 1 0 340.445 2.727 20 5 EFBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)CC(C)(C)C ZINC000451784042 478202762 /nfs/dbraw/zinc/20/27/62/478202762.db2.gz TUOIVPXDDBCLQR-CQSZACIVSA-N 1 0 348.403 2.874 20 5 EFBDRO COC(=O)c1ccc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000489027722 478212377 /nfs/dbraw/zinc/21/23/77/478212377.db2.gz OFHYDXSOVVMWKO-NSHDSACASA-N 1 0 348.359 2.569 20 5 EFBDRO CC1(C)COC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451815315 478214054 /nfs/dbraw/zinc/21/40/54/478214054.db2.gz WCPWCCIONQTWLH-OAHLLOKOSA-N 1 0 331.372 2.807 20 5 EFBDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000489151193 478221019 /nfs/dbraw/zinc/22/10/19/478221019.db2.gz PIGVYLLSPVOVEV-AWEZNQCLSA-N 1 0 336.436 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000562294729 478228916 /nfs/dbraw/zinc/22/89/16/478228916.db2.gz LEIIAZCYKXSAKA-QGZVFWFLSA-N 1 0 334.803 2.984 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489265454 478229140 /nfs/dbraw/zinc/22/91/40/478229140.db2.gz OVNOYCLCBLZVDA-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489336874 478234954 /nfs/dbraw/zinc/23/49/54/478234954.db2.gz WAVZZLNFLMSRCT-AWEZNQCLSA-N 1 0 325.796 2.660 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489352282 478235935 /nfs/dbraw/zinc/23/59/35/478235935.db2.gz PEFQFMCBIMSKFU-WBMJQRKESA-N 1 0 337.395 2.636 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489401652 478241202 /nfs/dbraw/zinc/24/12/02/478241202.db2.gz LKMPWSBHVQFQPV-OLZOCXBDSA-N 1 0 334.420 2.612 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519708842 478252306 /nfs/dbraw/zinc/25/23/06/478252306.db2.gz NWKVKFBDBUPETQ-SCTDSRPQSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cn1 ZINC000536638005 478264261 /nfs/dbraw/zinc/26/42/61/478264261.db2.gz IITVNSJIWLNEBQ-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2c(c1)COCO2 ZINC000579350059 478276223 /nfs/dbraw/zinc/27/62/23/478276223.db2.gz YQKFKZOIJWOCTI-GUYCJALGSA-N 1 0 348.399 2.852 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536843492 478276740 /nfs/dbraw/zinc/27/67/40/478276740.db2.gz CXOPJDGZGPJUMZ-XHDPSFHLSA-N 1 0 343.387 2.702 20 5 EFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562603444 478279120 /nfs/dbraw/zinc/27/91/20/478279120.db2.gz KDPPVDSBHJQPCN-FMKPAKJESA-N 1 0 338.452 2.908 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000590662522 478279702 /nfs/dbraw/zinc/27/97/02/478279702.db2.gz DFORHKFXUHGMOE-GXFFZTMASA-N 1 0 331.397 2.634 20 5 EFBDRO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579393188 478287670 /nfs/dbraw/zinc/28/76/70/478287670.db2.gz HVUXXXYMDBLUOL-GXTWGEPZSA-N 1 0 336.413 2.617 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594241860 478297011 /nfs/dbraw/zinc/29/70/11/478297011.db2.gz IQBNGYDCFQTKNT-DOTOQJQBSA-N 1 0 346.431 2.719 20 5 EFBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463492 478302950 /nfs/dbraw/zinc/30/29/50/478302950.db2.gz VTBATJCSHJDWGX-NFAWXSAZSA-N 1 0 346.383 2.841 20 5 EFBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000579463494 478303265 /nfs/dbraw/zinc/30/32/65/478303265.db2.gz VTBATJCSHJDWGX-VNHYZAJKSA-N 1 0 346.383 2.841 20 5 EFBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000590723254 478307475 /nfs/dbraw/zinc/30/74/75/478307475.db2.gz CZDFRXVYFKEFEG-OAHLLOKOSA-N 1 0 326.400 2.948 20 5 EFBDRO COC(C)(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520472031 478314753 /nfs/dbraw/zinc/31/47/53/478314753.db2.gz AKVTYSXLRLQMKD-JTQLQIEISA-N 1 0 343.811 2.932 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000490302044 478327282 /nfs/dbraw/zinc/32/72/82/478327282.db2.gz SUEFYDMZEPOGCL-ZDUSSCGKSA-N 1 0 325.796 2.660 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774977 478331585 /nfs/dbraw/zinc/33/15/85/478331585.db2.gz AQGBLUWIICFQKB-RDJZCZTQSA-N 1 0 331.416 2.785 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600313182 478334509 /nfs/dbraw/zinc/33/45/09/478334509.db2.gz IJYZVKUXGHSSAG-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000590780366 478334736 /nfs/dbraw/zinc/33/47/36/478334736.db2.gz COFJMWKLGAPBLG-KBRIMQKVSA-N 1 0 329.400 2.715 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000600315294 478336389 /nfs/dbraw/zinc/33/63/89/478336389.db2.gz RJGUXPFJLVTAPI-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600316290 478337406 /nfs/dbraw/zinc/33/74/06/478337406.db2.gz ZCJLQKHEZSQNLU-CHWSQXEVSA-N 1 0 337.395 2.686 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538376363 478357814 /nfs/dbraw/zinc/35/78/14/478357814.db2.gz WXRSPLJUCYUKMM-NVXWUHKLSA-N 1 0 336.388 2.685 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594418474 478374762 /nfs/dbraw/zinc/37/47/62/478374762.db2.gz JFLMTVQWBUWCEU-UKRRQHHQSA-N 1 0 342.399 2.823 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000590872549 478377342 /nfs/dbraw/zinc/37/73/42/478377342.db2.gz AVSFYCKASFUYFL-CJNGLKHVSA-N 1 0 331.416 2.668 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000590872746 478377486 /nfs/dbraw/zinc/37/74/86/478377486.db2.gz NMEUKJCVKBNUTR-UHFFFAOYSA-N 1 0 337.420 2.600 20 5 EFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(C)C ZINC000495894899 478394298 /nfs/dbraw/zinc/39/42/98/478394298.db2.gz SZHNQLPDBWCVKH-UHFFFAOYSA-N 1 0 336.392 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000539076781 478400771 /nfs/dbraw/zinc/40/07/71/478400771.db2.gz GGVODOBKIRRKRK-GXFFZTMASA-N 1 0 345.321 2.717 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC000563002220 478411518 /nfs/dbraw/zinc/41/15/18/478411518.db2.gz DDXQIZHPLMBGDM-MRXNPFEDSA-N 1 0 336.436 2.635 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000581653538 478411738 /nfs/dbraw/zinc/41/17/38/478411738.db2.gz CWDBCMAFLLEYCC-AWEZNQCLSA-N 1 0 349.431 2.842 20 5 EFBDRO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000594499780 478414109 /nfs/dbraw/zinc/41/41/09/478414109.db2.gz JORUDCCQQSCGRU-PBHICJAKSA-N 1 0 333.432 2.673 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502803 478415774 /nfs/dbraw/zinc/41/57/74/478415774.db2.gz OUUAHGVQLZXCRO-YOEHRIQHSA-N 1 0 343.427 2.963 20 5 EFBDRO CC(C)(C(=O)NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000597586413 478421309 /nfs/dbraw/zinc/42/13/09/478421309.db2.gz CLSNTRFHMJURIJ-UHFFFAOYSA-N 1 0 331.416 2.617 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594514215 478422036 /nfs/dbraw/zinc/42/20/36/478422036.db2.gz IEVJTCLYOQHNEX-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597587784 478422995 /nfs/dbraw/zinc/42/29/95/478422995.db2.gz XWJJRXASGSXBEP-UHFFFAOYSA-N 1 0 329.356 2.699 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594516527 478422900 /nfs/dbraw/zinc/42/29/00/478422900.db2.gz XCHMZRHLEXHQKZ-VNQPRFMTSA-N 1 0 329.404 2.891 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1ccccn1 ZINC000594516487 478422942 /nfs/dbraw/zinc/42/29/42/478422942.db2.gz WLNIXOIEMCZTNG-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594518378 478423178 /nfs/dbraw/zinc/42/31/78/478423178.db2.gz GWUFOPCDAUNOJE-AWEZNQCLSA-N 1 0 338.429 2.529 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000597605500 478430237 /nfs/dbraw/zinc/43/02/37/478430237.db2.gz PRKFUCIUFLARLH-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597606605 478431068 /nfs/dbraw/zinc/43/10/68/478431068.db2.gz XXBRFMLRJTWGGV-ZDUSSCGKSA-N 1 0 331.372 2.897 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594554154 478435316 /nfs/dbraw/zinc/43/53/16/478435316.db2.gz OFIGWQQKDJUMSN-IAOVAPTHSA-N 1 0 346.431 2.528 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594554084 478435638 /nfs/dbraw/zinc/43/56/38/478435638.db2.gz KJRUPRDWGMYSPC-SQWLQELKSA-N 1 0 346.431 2.528 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581766048 478437275 /nfs/dbraw/zinc/43/72/75/478437275.db2.gz SKWATYNQRPDQOD-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000594563159 478439403 /nfs/dbraw/zinc/43/94/03/478439403.db2.gz XXJANPOHVQNDNV-ZIAGYGMSSA-N 1 0 334.420 2.698 20 5 EFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000581806598 478441911 /nfs/dbraw/zinc/44/19/11/478441911.db2.gz RENXURCKLNJIJE-GOSISDBHSA-N 1 0 339.395 2.944 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)SCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000563081441 478442927 /nfs/dbraw/zinc/44/29/27/478442927.db2.gz OUZLOEFGZPNSLF-LBPRGKRZSA-N 1 0 337.445 2.963 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000591056196 478444207 /nfs/dbraw/zinc/44/42/07/478444207.db2.gz XEZBSLVNLCVPMR-OAHLLOKOSA-N 1 0 347.415 2.596 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062111 478447547 /nfs/dbraw/zinc/44/75/47/478447547.db2.gz VZORGTSFCXCIJY-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000570818814 478454959 /nfs/dbraw/zinc/45/49/59/478454959.db2.gz MORDVILJYSXROQ-MRXNPFEDSA-N 1 0 348.447 2.509 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000581882194 478458000 /nfs/dbraw/zinc/45/80/00/478458000.db2.gz IOAVCTNMZUBNRK-PBHICJAKSA-N 1 0 347.415 2.733 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599213 478458771 /nfs/dbraw/zinc/45/87/71/478458771.db2.gz IGIOQHJBCXEBHH-GDBMZVCRSA-N 1 0 347.415 2.739 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000495986924 478461148 /nfs/dbraw/zinc/46/11/48/478461148.db2.gz HISVQTYDFQPQMT-XQRVVYSFSA-N 1 0 333.388 2.676 20 5 EFBDRO CCOC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594604042 478462549 /nfs/dbraw/zinc/46/25/49/478462549.db2.gz XCTKGUUZLAYVDH-UONOGXRCSA-N 1 0 348.403 2.595 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597699248 478469820 /nfs/dbraw/zinc/46/98/20/478469820.db2.gz IYOTZKLOGNGDLK-YSVLISHTSA-N 1 0 333.432 2.715 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597701916 478470537 /nfs/dbraw/zinc/47/05/37/478470537.db2.gz XGGYVKGRPSOZOZ-TVQRCGJNSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597701914 478471043 /nfs/dbraw/zinc/47/10/43/478471043.db2.gz XGGYVKGRPSOZOZ-NOZJJQNGSA-N 1 0 345.321 2.778 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000594625513 478474357 /nfs/dbraw/zinc/47/43/57/478474357.db2.gz JYQGSUZMKRRQLU-LBPRGKRZSA-N 1 0 337.445 2.825 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000597713602 478476049 /nfs/dbraw/zinc/47/60/49/478476049.db2.gz DJKNWMZMFSBXJS-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496017677 478481699 /nfs/dbraw/zinc/48/16/99/478481699.db2.gz YLBFPKCUPPPQBN-MBSJSRAVSA-N 1 0 345.399 2.772 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000540607192 478484635 /nfs/dbraw/zinc/48/46/35/478484635.db2.gz BMCRYXTUGBLDEO-YQPCPPDFSA-N 1 0 349.431 2.961 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600723695 478487402 /nfs/dbraw/zinc/48/74/02/478487402.db2.gz DKXLLJKWAZWVOG-MWLCHTKSSA-N 1 0 335.301 2.693 20 5 EFBDRO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727019 478490693 /nfs/dbraw/zinc/49/06/93/478490693.db2.gz NVMQZXQCKXOMHH-RYUDHWBXSA-N 1 0 347.337 2.563 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729644 478491793 /nfs/dbraw/zinc/49/17/93/478491793.db2.gz ZAHSWSPBLPFHDS-DGCLKSJQSA-N 1 0 347.337 2.563 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000582013859 478492092 /nfs/dbraw/zinc/49/20/92/478492092.db2.gz ZECATHXHKKOSGO-KBPBESRZSA-N 1 0 334.420 2.698 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000582013862 478492523 /nfs/dbraw/zinc/49/25/23/478492523.db2.gz ZECATHXHKKOSGO-ZIAGYGMSSA-N 1 0 334.420 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729646 478492650 /nfs/dbraw/zinc/49/26/50/478492650.db2.gz ZAHSWSPBLPFHDS-WCQYABFASA-N 1 0 347.337 2.563 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591267869 478504085 /nfs/dbraw/zinc/50/40/85/478504085.db2.gz PSNHURIJWUPCNI-HNNXBMFYSA-N 1 0 348.399 2.769 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000591297635 478513026 /nfs/dbraw/zinc/51/30/26/478513026.db2.gz PZHUYYKACHMJKL-VIFPVBQESA-N 1 0 346.309 2.877 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591297641 478513248 /nfs/dbraw/zinc/51/32/48/478513248.db2.gz SVPGAWPSSQLUHE-SNVBAGLBSA-N 1 0 346.309 2.877 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571061353 478514395 /nfs/dbraw/zinc/51/43/95/478514395.db2.gz WFPCPYJRELDDPP-KRWDZBQOSA-N 1 0 339.395 2.910 20 5 EFBDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591310679 478517594 /nfs/dbraw/zinc/51/75/94/478517594.db2.gz BDEYSDBMDFDCFH-LLVKDONJSA-N 1 0 341.371 2.518 20 5 EFBDRO COC(=O)c1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)c([N+](=O)[O-])c1 ZINC000600787100 478520807 /nfs/dbraw/zinc/52/08/07/478520807.db2.gz XPCFDTTUVHHKNF-KRWDZBQOSA-N 1 0 342.351 2.709 20 5 EFBDRO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(-c3ccc(F)cc3[N+](=O)[O-])cn2)C1 ZINC000600791398 478524113 /nfs/dbraw/zinc/52/41/13/478524113.db2.gz ZNHMITTVJKMSMO-OAHLLOKOSA-N 1 0 348.378 2.707 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591347969 478531577 /nfs/dbraw/zinc/53/15/77/478531577.db2.gz MHJUNLZWEAOTEQ-JKSUJKDBSA-N 1 0 346.431 2.516 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591347966 478532132 /nfs/dbraw/zinc/53/21/32/478532132.db2.gz MHJUNLZWEAOTEQ-CVEARBPZSA-N 1 0 346.431 2.516 20 5 EFBDRO CC[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591352786 478532693 /nfs/dbraw/zinc/53/26/93/478532693.db2.gz SDWKRMJZEFCXRZ-NVXWUHKLSA-N 1 0 348.447 2.686 20 5 EFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591358582 478535422 /nfs/dbraw/zinc/53/54/22/478535422.db2.gz JMACIMJQWKAKSC-HOTGVXAUSA-N 1 0 346.431 2.626 20 5 EFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591360373 478535987 /nfs/dbraw/zinc/53/59/87/478535987.db2.gz OBPCOBLRLPIWTI-HZPDHXFCSA-N 1 0 346.431 2.626 20 5 EFBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1ccnc1 ZINC000582220433 478541191 /nfs/dbraw/zinc/54/11/91/478541191.db2.gz UBEUYLVRQYPGHF-BLLLJJGKSA-N 1 0 340.387 2.751 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000597859486 478546002 /nfs/dbraw/zinc/54/60/02/478546002.db2.gz DUQZRCNUFWWDRX-GFCCVEGCSA-N 1 0 344.415 2.926 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OCCO)cc1 ZINC000571225067 478547337 /nfs/dbraw/zinc/54/73/37/478547337.db2.gz RYGKGJHLZQTJCY-QGZVFWFLSA-N 1 0 328.368 2.743 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC000591443343 478553726 /nfs/dbraw/zinc/55/37/26/478553726.db2.gz ZVTUIZKCHHPUTJ-KGLIPLIRSA-N 1 0 341.415 2.754 20 5 EFBDRO CCc1cc(N2CCC([NH2+]C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591445485 478555064 /nfs/dbraw/zinc/55/50/64/478555064.db2.gz MUSJNWBNWKKERQ-UHFFFAOYSA-N 1 0 341.415 2.802 20 5 EFBDRO COC1([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000591481865 478567572 /nfs/dbraw/zinc/56/75/72/478567572.db2.gz CPNOFTCVAUREJL-AWEZNQCLSA-N 1 0 338.404 2.537 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591531592 478575902 /nfs/dbraw/zinc/57/59/02/478575902.db2.gz DLGHWOJSTXCMEV-SNVBAGLBSA-N 1 0 326.759 2.805 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC000597923681 478577283 /nfs/dbraw/zinc/57/72/83/478577283.db2.gz OEXUCMOHJMLNLM-CYBMUJFWSA-N 1 0 335.404 2.514 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597925784 478579055 /nfs/dbraw/zinc/57/90/55/478579055.db2.gz RDSORPZKZSCEPT-NSHDSACASA-N 1 0 337.445 2.919 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000597924862 478579346 /nfs/dbraw/zinc/57/93/46/478579346.db2.gz TXOUFQGSQGARDR-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597925838 478579549 /nfs/dbraw/zinc/57/95/49/478579549.db2.gz SGOPWHDONWGVJZ-SNVBAGLBSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000597925080 478579840 /nfs/dbraw/zinc/57/98/40/478579840.db2.gz NNWJKBTYVKLBME-CQSZACIVSA-N 1 0 346.431 2.772 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597925465 478579985 /nfs/dbraw/zinc/57/99/85/478579985.db2.gz VQLKVBKAFATCCK-SNVBAGLBSA-N 1 0 325.796 2.851 20 5 EFBDRO [NH3+]C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000600952517 478582678 /nfs/dbraw/zinc/58/26/78/478582678.db2.gz PEGSXTJYPOSQQE-VXNVDRBHSA-N 1 0 338.717 2.607 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491564642 478591234 /nfs/dbraw/zinc/59/12/34/478591234.db2.gz YCJXGITWCWPFII-FJVVXJACSA-N 1 0 329.400 2.741 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000563607075 478599163 /nfs/dbraw/zinc/59/91/63/478599163.db2.gz FTRSQKRANXVBSW-ZDUSSCGKSA-N 1 0 331.372 2.598 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997837 478604768 /nfs/dbraw/zinc/60/47/68/478604768.db2.gz DQLMKQRTQZVGOR-CYBMUJFWSA-N 1 0 337.395 2.976 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000600997411 478604884 /nfs/dbraw/zinc/60/48/84/478604884.db2.gz ZSXMSZMXSHJZMV-HNNXBMFYSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591680923 478605617 /nfs/dbraw/zinc/60/56/17/478605617.db2.gz CEWGKIJDOIAEQB-SNVBAGLBSA-N 1 0 333.310 2.717 20 5 EFBDRO CC1(C)C[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591678199 478605868 /nfs/dbraw/zinc/60/58/68/478605868.db2.gz NAOCLTWGFUXBMJ-UHFFFAOYSA-N 1 0 343.836 2.551 20 5 EFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000597992042 478609368 /nfs/dbraw/zinc/60/93/68/478609368.db2.gz IWAFFGDQODYPNB-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000597994551 478609432 /nfs/dbraw/zinc/60/94/32/478609432.db2.gz ZYSYQJUHFOURPK-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)cn1 ZINC000571500748 478610601 /nfs/dbraw/zinc/61/06/01/478610601.db2.gz RDQHWASOWUWLJG-UHFFFAOYSA-N 1 0 340.374 2.937 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601010117 478612854 /nfs/dbraw/zinc/61/28/54/478612854.db2.gz JTYQDKKLBPLMHU-LBPRGKRZSA-N 1 0 337.395 2.974 20 5 EFBDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000591728948 478614063 /nfs/dbraw/zinc/61/40/63/478614063.db2.gz DWMHNLPJAYIPAJ-INIZCTEOSA-N 1 0 346.383 2.523 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594979245 478615399 /nfs/dbraw/zinc/61/53/99/478615399.db2.gz GQGKTBUPCRYMIP-CQSZACIVSA-N 1 0 349.431 2.576 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000591734506 478615672 /nfs/dbraw/zinc/61/56/72/478615672.db2.gz HPFGAFUNRSYEFN-WBVHZDCISA-N 1 0 345.399 2.861 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601014974 478615854 /nfs/dbraw/zinc/61/58/54/478615854.db2.gz FSIDGGYDQRPTFB-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](OC)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000594993403 478620862 /nfs/dbraw/zinc/62/08/62/478620862.db2.gz FDKADUQJRBTMJY-KRWDZBQOSA-N 1 0 338.404 2.907 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000594994363 478622183 /nfs/dbraw/zinc/62/21/83/478622183.db2.gz TXDOFOOGIHHSFP-NSHDSACASA-N 1 0 339.823 2.985 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594994879 478622619 /nfs/dbraw/zinc/62/26/19/478622619.db2.gz WXNWKNXHHRLHDO-HVEPWOEZSA-N 1 0 345.443 2.841 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000595004546 478625339 /nfs/dbraw/zinc/62/53/39/478625339.db2.gz UAMZCCKHAHHXGE-HIFRSBDPSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000595007939 478626848 /nfs/dbraw/zinc/62/68/48/478626848.db2.gz LIDRRRSBUWXTCO-UONOGXRCSA-N 1 0 338.404 2.697 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000595014273 478629439 /nfs/dbraw/zinc/62/94/39/478629439.db2.gz WAOHSQUNAOXOMQ-WBMJQRKESA-N 1 0 339.461 2.691 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCN(C(C)=O)CC1 ZINC000595012893 478629766 /nfs/dbraw/zinc/62/97/66/478629766.db2.gz PWXKELMDIZQVPT-GFCCVEGCSA-N 1 0 335.404 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000595020980 478631332 /nfs/dbraw/zinc/63/13/32/478631332.db2.gz WETNGUJPKACFJJ-JTQLQIEISA-N 1 0 335.326 2.748 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000595019985 478631858 /nfs/dbraw/zinc/63/18/58/478631858.db2.gz SUDZGQLPVQDQCN-DYVFJYSZSA-N 1 0 349.431 2.901 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC1CCOCC1 ZINC000595025090 478632712 /nfs/dbraw/zinc/63/27/12/478632712.db2.gz GBCQWIZEXZMTDG-ZDUSSCGKSA-N 1 0 338.404 2.840 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039594 478637301 /nfs/dbraw/zinc/63/73/01/478637301.db2.gz TZDRUVWXRFTMHH-CHWSQXEVSA-N 1 0 337.420 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000595035191 478637610 /nfs/dbraw/zinc/63/76/10/478637610.db2.gz HPGCHYAXBIGFSO-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079844 478653949 /nfs/dbraw/zinc/65/39/49/478653949.db2.gz ZOMOBDJZGRJBBV-HUUCEWRRSA-N 1 0 344.419 2.676 20 5 EFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079845 478654205 /nfs/dbraw/zinc/65/42/05/478654205.db2.gz ZOMOBDJZGRJBBV-LSDHHAIUSA-N 1 0 344.419 2.676 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105217 478662005 /nfs/dbraw/zinc/66/20/05/478662005.db2.gz RGZIWOOHOXSFGL-HOCLYGCPSA-N 1 0 333.432 2.807 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601110053 478662729 /nfs/dbraw/zinc/66/27/29/478662729.db2.gz YEOTUEBDCAZART-ZIAGYGMSSA-N 1 0 338.477 2.651 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000563947459 478671491 /nfs/dbraw/zinc/67/14/91/478671491.db2.gz RDMCEZIXILGDBF-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571851393 478688621 /nfs/dbraw/zinc/68/86/21/478688621.db2.gz MJRKUQMXQSTRRE-GOEBONIOSA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571851392 478688827 /nfs/dbraw/zinc/68/88/27/478688827.db2.gz MJRKUQMXQSTRRE-GDBMZVCRSA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000601150201 478689735 /nfs/dbraw/zinc/68/97/35/478689735.db2.gz XZFMVYSRCQWULH-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595219863 478691495 /nfs/dbraw/zinc/69/14/95/478691495.db2.gz AEXJLTRXQRAOPP-INIZCTEOSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595220083 478691930 /nfs/dbraw/zinc/69/19/30/478691930.db2.gz DXLIVRVKDVMKCM-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595222540 478692767 /nfs/dbraw/zinc/69/27/67/478692767.db2.gz MDDQEMOXJUIHHW-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000591914923 478701052 /nfs/dbraw/zinc/70/10/52/478701052.db2.gz LNMKBSOCZIQERL-OCCSQVGLSA-N 1 0 335.404 2.595 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000595256301 478704173 /nfs/dbraw/zinc/70/41/73/478704173.db2.gz LJNWGOLBDZBTGA-GDBMZVCRSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595269579 478708157 /nfs/dbraw/zinc/70/81/57/478708157.db2.gz SKDFMJHJFJTORP-KYOSRNDESA-N 1 0 334.420 2.733 20 5 EFBDRO [NH3+]Cc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000571923965 478709351 /nfs/dbraw/zinc/70/93/51/478709351.db2.gz OVBBBFNQVRVDLO-UHFFFAOYSA-N 1 0 342.399 2.562 20 5 EFBDRO [NH3+]C1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000595271685 478710097 /nfs/dbraw/zinc/71/00/97/478710097.db2.gz WJQXKCMPOFBHDN-HNNXBMFYSA-N 1 0 346.431 2.755 20 5 EFBDRO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598220572 478711298 /nfs/dbraw/zinc/71/12/98/478711298.db2.gz QSBXWQLKDYXYJZ-MRXNPFEDSA-N 1 0 345.443 2.969 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]2C1 ZINC000601185427 478711887 /nfs/dbraw/zinc/71/18/87/478711887.db2.gz UGDINUVYCZTOOJ-MNOVXSKESA-N 1 0 327.331 2.584 20 5 EFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221504 478712673 /nfs/dbraw/zinc/71/26/73/478712673.db2.gz WICDVIDCOUYLTQ-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000601188659 478713803 /nfs/dbraw/zinc/71/38/03/478713803.db2.gz LQAYGJWKYOJYRH-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CCO)CCCC1 ZINC000543064889 478716422 /nfs/dbraw/zinc/71/64/22/478716422.db2.gz QXFRSYPQWKNXBA-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOC(=O)Cc1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000591951164 478720879 /nfs/dbraw/zinc/72/08/79/478720879.db2.gz SJMXLLCEHCUPQG-UHFFFAOYSA-N 1 0 349.431 2.985 20 5 EFBDRO Cc1noc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595325803 478732530 /nfs/dbraw/zinc/73/25/30/478732530.db2.gz WYVMUNRHWMDXEO-DZGCQCFKSA-N 1 0 336.436 2.978 20 5 EFBDRO Cc1noc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595325805 478732605 /nfs/dbraw/zinc/73/26/05/478732605.db2.gz WYVMUNRHWMDXEO-UKRRQHHQSA-N 1 0 336.436 2.978 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598266525 478733498 /nfs/dbraw/zinc/73/34/98/478733498.db2.gz ZBXSPYIEBBCDDC-HNNXBMFYSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598265494 478733526 /nfs/dbraw/zinc/73/35/26/478733526.db2.gz TZEZEKOBEHSOBM-FHLIZLRMSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1noc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595336716 478736572 /nfs/dbraw/zinc/73/65/72/478736572.db2.gz QNAIQBFQLGJOFR-HNNXBMFYSA-N 1 0 330.388 2.598 20 5 EFBDRO Cc1noc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595336740 478736817 /nfs/dbraw/zinc/73/68/17/478736817.db2.gz QNAIQBFQLGJOFR-OAHLLOKOSA-N 1 0 330.388 2.598 20 5 EFBDRO COc1cccc(N2CCN(Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000601257998 478750090 /nfs/dbraw/zinc/75/00/90/478750090.db2.gz SJHHXABJPLLXTM-UHFFFAOYSA-N 1 0 343.383 2.631 20 5 EFBDRO Cc1noc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595372831 478753029 /nfs/dbraw/zinc/75/30/29/478753029.db2.gz WCXXHGUCPDKTSN-UHFFFAOYSA-N 1 0 344.415 2.988 20 5 EFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498365688 478760366 /nfs/dbraw/zinc/76/03/66/478760366.db2.gz SVAFULOEKXQJGJ-VIFPVBQESA-N 1 0 337.763 2.862 20 5 EFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000595397275 478760992 /nfs/dbraw/zinc/76/09/92/478760992.db2.gz PVRSKNUWPOZAKR-UHFFFAOYSA-N 1 0 339.411 2.524 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000543618663 478761343 /nfs/dbraw/zinc/76/13/43/478761343.db2.gz IRYPDOLLOJGRMZ-QWHCGFSZSA-N 1 0 337.395 2.684 20 5 EFBDRO CC(C)O[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000564565623 478761700 /nfs/dbraw/zinc/76/17/00/478761700.db2.gz XVRNMPCOMLHVPR-GFCCVEGCSA-N 1 0 341.795 2.686 20 5 EFBDRO C[C@H]1CN(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000595405386 478763219 /nfs/dbraw/zinc/76/32/19/478763219.db2.gz WYPHZQZYYPOBII-GJZGRUSLSA-N 1 0 333.432 2.668 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293591 478769870 /nfs/dbraw/zinc/76/98/70/478769870.db2.gz IHBRNDSVXMHEKS-GWCFXTLKSA-N 1 0 343.309 2.949 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601295537 478772191 /nfs/dbraw/zinc/77/21/91/478772191.db2.gz WZEYSVHHJHAVDC-ZWNOBZJWSA-N 1 0 343.309 2.949 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341449 478775596 /nfs/dbraw/zinc/77/55/96/478775596.db2.gz BODFIBRNBZRHIT-JKSUJKDBSA-N 1 0 333.432 2.764 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000598342537 478776131 /nfs/dbraw/zinc/77/61/31/478776131.db2.gz OSLVJMYZDNPTGD-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000598342536 478776387 /nfs/dbraw/zinc/77/63/87/478776387.db2.gz OSLVJMYZDNPTGD-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342473 478777381 /nfs/dbraw/zinc/77/73/81/478777381.db2.gz IZRZJEFIDMEYJX-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595445426 478787422 /nfs/dbraw/zinc/78/74/22/478787422.db2.gz BOSHVFYVQKKSJY-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601354357 478798599 /nfs/dbraw/zinc/79/85/99/478798599.db2.gz ZBCIUDVAKXKUHP-ZDUSSCGKSA-N 1 0 337.395 2.832 20 5 EFBDRO CCOc1cc(N2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000595464055 478800396 /nfs/dbraw/zinc/80/03/96/478800396.db2.gz FOBLBJWXYPOOKG-HNNXBMFYSA-N 1 0 349.431 2.683 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000592160401 478806068 /nfs/dbraw/zinc/80/60/68/478806068.db2.gz JTDGEMYFRIKVIN-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572354137 478813582 /nfs/dbraw/zinc/81/35/82/478813582.db2.gz KEDVJDZIJGKDDR-KGLIPLIRSA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181460 478815473 /nfs/dbraw/zinc/81/54/73/478815473.db2.gz DMHLZDKNPHWEML-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183124 478817057 /nfs/dbraw/zinc/81/70/57/478817057.db2.gz RKQGQRPRWVFCKB-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592184031 478817766 /nfs/dbraw/zinc/81/77/66/478817766.db2.gz XRECKWRLOYNLPV-UONOGXRCSA-N 1 0 347.415 2.813 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000564812395 478819344 /nfs/dbraw/zinc/81/93/44/478819344.db2.gz MMIMHHZOEAZJSV-UIBIWLFHSA-N 1 0 342.399 2.523 20 5 EFBDRO Cc1noc(CN2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595509784 478827967 /nfs/dbraw/zinc/82/79/67/478827967.db2.gz VMVIJLATMHBWQR-UHFFFAOYSA-N 1 0 330.388 2.645 20 5 EFBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000595527547 478835056 /nfs/dbraw/zinc/83/50/56/478835056.db2.gz VBIPZXHXEGCOCD-JFIYKMOQSA-N 1 0 347.459 2.883 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000595534095 478837714 /nfs/dbraw/zinc/83/77/14/478837714.db2.gz BTTLEYJDFYDQJM-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000595534069 478837906 /nfs/dbraw/zinc/83/79/06/478837906.db2.gz BLQBQIODIMJGAR-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000595535284 478838637 /nfs/dbraw/zinc/83/86/37/478838637.db2.gz MDKPIAREOLDHIL-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592246856 478839597 /nfs/dbraw/zinc/83/95/97/478839597.db2.gz MADLFPALIFQHOZ-BXUZGUMPSA-N 1 0 335.429 2.531 20 5 EFBDRO C[C@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000503389878 478839748 /nfs/dbraw/zinc/83/97/48/478839748.db2.gz IEEUEIOYNYEFMI-SJCJKPOMSA-N 1 0 347.802 2.935 20 5 EFBDRO C[C@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000503389880 478840042 /nfs/dbraw/zinc/84/00/42/478840042.db2.gz IEEUEIOYNYEFMI-YVEFUNNKSA-N 1 0 347.802 2.935 20 5 EFBDRO CS[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000564873088 478841727 /nfs/dbraw/zinc/84/17/27/478841727.db2.gz KXJUZRAJTBFMBX-UKRRQHHQSA-N 1 0 342.461 2.702 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254353 478842157 /nfs/dbraw/zinc/84/21/57/478842157.db2.gz WRYAWKPITLMBAX-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253236 478842454 /nfs/dbraw/zinc/84/24/54/478842454.db2.gz BUFGMDKRCXXZFG-HZPDHXFCSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595572292 478862626 /nfs/dbraw/zinc/86/26/26/478862626.db2.gz DORLENQKAWEQMI-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO COc1cc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1SC ZINC000592356933 478866158 /nfs/dbraw/zinc/86/61/58/478866158.db2.gz LYRURLLHTOKGDR-VIFPVBQESA-N 1 0 336.373 2.800 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511527 478872887 /nfs/dbraw/zinc/87/28/87/478872887.db2.gz SDEZSBVMTQBFCP-GOSISDBHSA-N 1 0 339.395 2.528 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595594612 478875347 /nfs/dbraw/zinc/87/53/47/478875347.db2.gz GMBKNSRAYQRQIN-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc1 ZINC000544972442 478875562 /nfs/dbraw/zinc/87/55/62/478875562.db2.gz MNEDSIUQHOJPHG-UHFFFAOYSA-N 1 0 343.343 2.580 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(CO)cc1 ZINC000592393163 478882297 /nfs/dbraw/zinc/88/22/97/478882297.db2.gz PRSVADOCNXDUJF-CYBMUJFWSA-N 1 0 343.383 2.594 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000492244537 478889261 /nfs/dbraw/zinc/88/92/61/478889261.db2.gz UFRJGBZAPOTCIJ-TUYSUELWSA-N 1 0 343.427 2.798 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000592427674 478892069 /nfs/dbraw/zinc/89/20/69/478892069.db2.gz PBRWELSRJLWLIC-ZWNOBZJWSA-N 1 0 329.347 2.755 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000598562583 478897082 /nfs/dbraw/zinc/89/70/82/478897082.db2.gz XARINIFPRIBVJN-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598573789 478903817 /nfs/dbraw/zinc/90/38/17/478903817.db2.gz ORJJDYGLZOCBIH-LBPRGKRZSA-N 1 0 345.321 2.684 20 5 EFBDRO CCc1oc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000572739494 478909534 /nfs/dbraw/zinc/90/95/34/478909534.db2.gz MWCHGKOTAIMKQH-UHFFFAOYSA-N 1 0 348.355 2.705 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000492300558 478918297 /nfs/dbraw/zinc/91/82/97/478918297.db2.gz GIDQHGXXKCSCHV-OSJSJHBBSA-N 1 0 343.427 2.798 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CCCC2)nc1 ZINC000583720155 478922800 /nfs/dbraw/zinc/92/28/00/478922800.db2.gz UDFAWPGRYWJQND-UHFFFAOYSA-N 1 0 341.415 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000592514518 478924332 /nfs/dbraw/zinc/92/43/32/478924332.db2.gz QYZAKDXJRIHHKW-GOEBONIOSA-N 1 0 341.415 2.713 20 5 EFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595672417 478925964 /nfs/dbraw/zinc/92/59/64/478925964.db2.gz IZTLNBCISFLTME-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507567912 478927669 /nfs/dbraw/zinc/92/76/69/478927669.db2.gz OTNOATWTWOLHAQ-AWEZNQCLSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000583739232 478930350 /nfs/dbraw/zinc/93/03/50/478930350.db2.gz QUVPCLHORXMFRJ-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678694 478931735 /nfs/dbraw/zinc/93/17/35/478931735.db2.gz SXJYNAXHYJXTHA-XJKSGUPXSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@]1(CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000545397547 478932174 /nfs/dbraw/zinc/93/21/74/478932174.db2.gz GFNFJQYQIIGBDR-QGZVFWFLSA-N 1 0 331.372 2.639 20 5 EFBDRO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n2c1CCCC2 ZINC000598638241 478939490 /nfs/dbraw/zinc/93/94/90/478939490.db2.gz CSVDFINNCAJBIK-UHFFFAOYSA-N 1 0 343.383 2.809 20 5 EFBDRO CCOC(=O)c1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000583784959 478940678 /nfs/dbraw/zinc/94/06/78/478940678.db2.gz FHDXADKLTPIWFM-YPMHNXCESA-N 1 0 333.388 2.809 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601670400 478941983 /nfs/dbraw/zinc/94/19/83/478941983.db2.gz DIBPIIGSJKAHAR-LBPRGKRZSA-N 1 0 335.379 2.871 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000583794056 478942075 /nfs/dbraw/zinc/94/20/75/478942075.db2.gz JZSAKVAIUCGZOA-BBRMVZONSA-N 1 0 338.429 2.557 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554705 478942215 /nfs/dbraw/zinc/94/22/15/478942215.db2.gz MGIGSMOSUYMPIF-CHWSQXEVSA-N 1 0 335.379 2.586 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CCO ZINC000595697618 478942840 /nfs/dbraw/zinc/94/28/40/478942840.db2.gz MASYMYHATLDKEC-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567194 478943084 /nfs/dbraw/zinc/94/30/84/478943084.db2.gz ADPOCAAMKNXHQC-LBPRGKRZSA-N 1 0 335.429 2.721 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000598646509 478943139 /nfs/dbraw/zinc/94/31/39/478943139.db2.gz FRLGDKISUWCQKA-AWEZNQCLSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CCO ZINC000595704836 478947498 /nfs/dbraw/zinc/94/74/98/478947498.db2.gz WGHQQEQVTSGQES-DOMZBBRYSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595703638 478948127 /nfs/dbraw/zinc/94/81/27/478948127.db2.gz UUBWNMLAKHFDHB-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595703611 478948910 /nfs/dbraw/zinc/94/89/10/478948910.db2.gz MKOKFIQWSCRNBG-OAHLLOKOSA-N 1 0 348.447 2.652 20 5 EFBDRO O=C(CC[C@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598667236 478953782 /nfs/dbraw/zinc/95/37/82/478953782.db2.gz APLDGWGFHCICGC-CQSZACIVSA-N 1 0 331.416 2.866 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668258 478955737 /nfs/dbraw/zinc/95/57/37/478955737.db2.gz RHLBABUCIXSOGF-MEDUHNTESA-N 1 0 335.429 2.660 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000565227075 478957400 /nfs/dbraw/zinc/95/74/00/478957400.db2.gz VAFUGCGZJJJMOX-LZWOXQAQSA-N 1 0 348.447 2.944 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000598678508 478966794 /nfs/dbraw/zinc/96/67/94/478966794.db2.gz QXYGVFNBNSTUMR-USXIJHARSA-N 1 0 331.416 2.516 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000595750374 478973895 /nfs/dbraw/zinc/97/38/95/478973895.db2.gz BAFKCXOBOXSDSO-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000565300944 478974544 /nfs/dbraw/zinc/97/45/44/478974544.db2.gz FSTNUEZAPQKQCM-ZIAGYGMSSA-N 1 0 335.404 2.730 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000573020630 478975362 /nfs/dbraw/zinc/97/53/62/478975362.db2.gz QQDZSARMIHXEBQ-RDTXWAMCSA-N 1 0 345.443 2.673 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511135477 478975563 /nfs/dbraw/zinc/97/55/63/478975563.db2.gz GNXQIRYIAXAHBC-KRWDZBQOSA-N 1 0 344.411 2.817 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000595772786 478989163 /nfs/dbraw/zinc/98/91/63/478989163.db2.gz UZTQJKORJCIJNE-GXSJLCMTSA-N 1 0 346.330 2.550 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598721438 478991358 /nfs/dbraw/zinc/99/13/58/478991358.db2.gz VODPNCIYBNZUJL-ABAIWWIYSA-N 1 0 327.331 2.509 20 5 EFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595857039 479036696 /nfs/dbraw/zinc/03/66/96/479036696.db2.gz HTPMFPMRVIJCKB-LQDVMPOASA-N 1 0 329.400 2.747 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000601848826 479038323 /nfs/dbraw/zinc/03/83/23/479038323.db2.gz CPAYRVRVYRFTFZ-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000601852149 479040663 /nfs/dbraw/zinc/04/06/63/479040663.db2.gz XHMJWNXBNYAXQB-AWEZNQCLSA-N 1 0 329.356 2.501 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000595867125 479041625 /nfs/dbraw/zinc/04/16/25/479041625.db2.gz LNVLOXZJWSUMPH-MRXNPFEDSA-N 1 0 338.310 2.575 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493560792 479057613 /nfs/dbraw/zinc/05/76/13/479057613.db2.gz SBDCKIHYEXTLTN-CRLUXQHQSA-N 1 0 329.400 2.599 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595907538 479062487 /nfs/dbraw/zinc/06/24/87/479062487.db2.gz AHJCBUPKOJEBNI-NEPJUHHUSA-N 1 0 335.404 2.908 20 5 EFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000592828121 479063251 /nfs/dbraw/zinc/06/32/51/479063251.db2.gz CPTYEDUCRQEXAS-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828122 479063670 /nfs/dbraw/zinc/06/36/70/479063670.db2.gz CPTYEDUCRQEXAS-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CC1(C)C ZINC000595908053 479064565 /nfs/dbraw/zinc/06/45/65/479064565.db2.gz FBTHGUMYZUTNLN-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CC1(C)C ZINC000595909446 479064659 /nfs/dbraw/zinc/06/46/59/479064659.db2.gz NZVAROSOYVWRBL-GFCCVEGCSA-N 1 0 333.388 2.871 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595909437 479065108 /nfs/dbraw/zinc/06/51/08/479065108.db2.gz NQRVOHPKFQHKBV-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO CCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000592831680 479065049 /nfs/dbraw/zinc/06/50/49/479065049.db2.gz NOQPCAVVHTZZHQ-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC1(C)C ZINC000595908722 479065245 /nfs/dbraw/zinc/06/52/45/479065245.db2.gz KBBYQFZPMLTJKL-RYUDHWBXSA-N 1 0 335.404 2.908 20 5 EFBDRO CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592833248 479066348 /nfs/dbraw/zinc/06/63/48/479066348.db2.gz XNPOGCUGORACAF-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595918427 479072318 /nfs/dbraw/zinc/07/23/18/479072318.db2.gz CJHGKJSCUZDXGB-SNVBAGLBSA-N 1 0 331.397 2.793 20 5 EFBDRO Cc1c(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000595927129 479077665 /nfs/dbraw/zinc/07/76/65/479077665.db2.gz AMTQEWNJHZSAGN-UHFFFAOYSA-N 1 0 331.397 2.540 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595942370 479080118 /nfs/dbraw/zinc/08/01/18/479080118.db2.gz WHRXIOPEYAOTDN-IINYFYTJSA-N 1 0 345.321 2.622 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914528 479083078 /nfs/dbraw/zinc/08/30/78/479083078.db2.gz GYMUWZDSHCLRNF-BXKDBHETSA-N 1 0 326.784 2.887 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000598916425 479084455 /nfs/dbraw/zinc/08/44/55/479084455.db2.gz YOEOGROLOWXXEE-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO Cc1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000598918613 479086289 /nfs/dbraw/zinc/08/62/89/479086289.db2.gz PHGKGUWNYFFDIQ-UHFFFAOYSA-N 1 0 327.375 2.970 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000584309127 479090409 /nfs/dbraw/zinc/09/04/09/479090409.db2.gz QROQWEJHQBFGIO-ZIAGYGMSSA-N 1 0 347.415 2.753 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000584309124 479090467 /nfs/dbraw/zinc/09/04/67/479090467.db2.gz QROQWEJHQBFGIO-KBPBESRZSA-N 1 0 347.415 2.753 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1 ZINC000601963459 479098098 /nfs/dbraw/zinc/09/80/98/479098098.db2.gz BORUBCFOFUHNRA-YOGCLGLASA-N 1 0 344.371 2.994 20 5 EFBDRO [NH3+][C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[C@H]1F ZINC000596030355 479100485 /nfs/dbraw/zinc/10/04/85/479100485.db2.gz VDFPWWVAWUXHLM-HUUCEWRRSA-N 1 0 343.358 2.701 20 5 EFBDRO CN(C(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596039509 479102830 /nfs/dbraw/zinc/10/28/30/479102830.db2.gz RACNJCYJZWQHBG-UHFFFAOYSA-N 1 0 327.384 2.780 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493671821 479108881 /nfs/dbraw/zinc/10/88/81/479108881.db2.gz COWHIXGLVNLLHB-PKYBCLHXSA-N 1 0 335.379 2.688 20 5 EFBDRO C[NH+](C)CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000584358841 479109003 /nfs/dbraw/zinc/10/90/03/479109003.db2.gz IQHSBBSWCSNDQD-UHFFFAOYSA-N 1 0 328.416 2.596 20 5 EFBDRO O=c1[nH]ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596055252 479110878 /nfs/dbraw/zinc/11/08/78/479110878.db2.gz UCRSDQSZUXZFDV-OAHLLOKOSA-N 1 0 328.372 2.944 20 5 EFBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000573654079 479111576 /nfs/dbraw/zinc/11/15/76/479111576.db2.gz DKNQEVILYRMNDR-CABCVRRESA-N 1 0 333.432 2.935 20 5 EFBDRO COc1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1O ZINC000596058079 479112175 /nfs/dbraw/zinc/11/21/75/479112175.db2.gz CDRLODVMFNUQIA-AWEZNQCLSA-N 1 0 349.431 2.521 20 5 EFBDRO COc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596058909 479113185 /nfs/dbraw/zinc/11/31/85/479113185.db2.gz LLNSFUVNRPWFER-MRXNPFEDSA-N 1 0 333.432 2.815 20 5 EFBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccccc1 ZINC000596063141 479114934 /nfs/dbraw/zinc/11/49/34/479114934.db2.gz TZFROBUSJQTJKM-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000598997791 479120418 /nfs/dbraw/zinc/12/04/18/479120418.db2.gz ITXQQUKMAMORJS-PBHICJAKSA-N 1 0 329.356 2.624 20 5 EFBDRO CC(C)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000596074857 479123607 /nfs/dbraw/zinc/12/36/07/479123607.db2.gz ICUBZRDPFDXQCI-UHFFFAOYSA-N 1 0 342.399 2.944 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596078316 479124807 /nfs/dbraw/zinc/12/48/07/479124807.db2.gz WFUORERDKIBARG-UHFFFAOYSA-N 1 0 341.415 2.593 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596077514 479124888 /nfs/dbraw/zinc/12/48/88/479124888.db2.gz JXYBVNPJHHTOHZ-GFCCVEGCSA-N 1 0 342.390 2.970 20 5 EFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCC(C)CC1 ZINC000596076802 479124955 /nfs/dbraw/zinc/12/49/55/479124955.db2.gz PPMZDUGWPHILJT-QGZVFWFLSA-N 1 0 348.447 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)s2)cc1 ZINC000599011494 479125824 /nfs/dbraw/zinc/12/58/24/479125824.db2.gz JCRWKABMSJORQU-HUUCEWRRSA-N 1 0 334.397 2.563 20 5 EFBDRO O=C1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000584415347 479126864 /nfs/dbraw/zinc/12/68/64/479126864.db2.gz DYYMPMXRMJNJIF-SJKOYZFVSA-N 1 0 329.400 2.573 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000596091585 479133782 /nfs/dbraw/zinc/13/37/82/479133782.db2.gz NWRAAYULHGKHNK-GFCCVEGCSA-N 1 0 330.413 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000596091586 479134001 /nfs/dbraw/zinc/13/40/01/479134001.db2.gz NWRAAYULHGKHNK-LBPRGKRZSA-N 1 0 330.413 2.789 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596098535 479136772 /nfs/dbraw/zinc/13/67/72/479136772.db2.gz RAXHSPAVMHGJBU-CQSZACIVSA-N 1 0 333.436 2.520 20 5 EFBDRO COC(=O)c1cc(N[C@H](C)C2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000599044630 479136959 /nfs/dbraw/zinc/13/69/59/479136959.db2.gz RGNUOCQSLAIXPI-GFCCVEGCSA-N 1 0 335.404 2.832 20 5 EFBDRO Nc1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1[N+](=O)[O-] ZINC000596112704 479145046 /nfs/dbraw/zinc/14/50/46/479145046.db2.gz SIVWFFZMBPVYJS-CQSZACIVSA-N 1 0 333.436 2.664 20 5 EFBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000602024468 479145214 /nfs/dbraw/zinc/14/52/14/479145214.db2.gz NNHYNXWMQKYGRY-UHFFFAOYSA-N 1 0 331.372 2.745 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599067237 479146238 /nfs/dbraw/zinc/14/62/38/479146238.db2.gz ZFKJNRAXTVLRFU-BXUZGUMPSA-N 1 0 325.359 2.901 20 5 EFBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599069002 479147913 /nfs/dbraw/zinc/14/79/13/479147913.db2.gz SKGSXEWCZHCFDA-UKRRQHHQSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000599074698 479150780 /nfs/dbraw/zinc/15/07/80/479150780.db2.gz VGZOZJYRJIXJRC-ZLENFMNRSA-N 1 0 329.356 2.876 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000593065422 479152858 /nfs/dbraw/zinc/15/28/58/479152858.db2.gz WWWYHHYCWNNXJX-HNNXBMFYSA-N 1 0 339.411 2.759 20 5 EFBDRO CC(C)(CO)[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596128095 479155071 /nfs/dbraw/zinc/15/50/71/479155071.db2.gz DEIYYYPZTZCKJE-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)c([N+](=O)[O-])s1 ZINC000596131169 479156651 /nfs/dbraw/zinc/15/66/51/479156651.db2.gz IXUNAZCBIGWUTQ-UHFFFAOYSA-N 1 0 339.446 2.711 20 5 EFBDRO CN(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000599090870 479158402 /nfs/dbraw/zinc/15/84/02/479158402.db2.gz SUNBKHCKLQPWBF-AWEZNQCLSA-N 1 0 327.375 2.702 20 5 EFBDRO COCCC[N@H+](C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596139648 479160039 /nfs/dbraw/zinc/16/00/39/479160039.db2.gz DSNAKMRJDVMNPS-UHFFFAOYSA-N 1 0 346.225 2.738 20 5 EFBDRO Cc1c(NC(=O)CC[NH+]2CCC([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000593084918 479164196 /nfs/dbraw/zinc/16/41/96/479164196.db2.gz SDZGRERVPIRYLX-CYBMUJFWSA-N 1 0 349.431 2.572 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596153275 479166110 /nfs/dbraw/zinc/16/61/10/479166110.db2.gz SPQAGAKHMXOWAH-GFCCVEGCSA-N 1 0 342.827 2.580 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596153276 479167076 /nfs/dbraw/zinc/16/70/76/479167076.db2.gz SPQAGAKHMXOWAH-LBPRGKRZSA-N 1 0 342.827 2.580 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000599140335 479177294 /nfs/dbraw/zinc/17/72/94/479177294.db2.gz UVNBSNJHLWHZQK-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596172285 479178995 /nfs/dbraw/zinc/17/89/95/479178995.db2.gz SXBPNGGSHYOBIZ-GFCCVEGCSA-N 1 0 343.387 2.728 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584574904 479182967 /nfs/dbraw/zinc/18/29/67/479182967.db2.gz HSTHZCVWASFHMV-HIFRSBDPSA-N 1 0 334.420 2.700 20 5 EFBDRO CC[N@H+](CCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1)CC1CC1 ZINC000596182900 479185160 /nfs/dbraw/zinc/18/51/60/479185160.db2.gz SYVNRFBXTFUZKC-UHFFFAOYSA-N 1 0 347.463 2.910 20 5 EFBDRO CC1(F)CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602992762 479185008 /nfs/dbraw/zinc/18/50/08/479185008.db2.gz FNLDUMYFEHVLBG-UHFFFAOYSA-N 1 0 337.351 2.717 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000610782877 479187139 /nfs/dbraw/zinc/18/71/39/479187139.db2.gz KVCFMDWEYBLIMG-UHFFFAOYSA-N 1 0 338.795 2.764 20 5 EFBDRO CCOC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599157685 479187293 /nfs/dbraw/zinc/18/72/93/479187293.db2.gz CEGWNECEFNOQJF-CQSZACIVSA-N 1 0 331.372 2.693 20 5 EFBDRO CC[NH+](CC)CCCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596188868 479188705 /nfs/dbraw/zinc/18/87/05/479188705.db2.gz DKBWECSHZKUGMX-UHFFFAOYSA-N 1 0 335.452 2.910 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000610803585 479192099 /nfs/dbraw/zinc/19/20/99/479192099.db2.gz LYCPKMAUZGPDFI-CXAGYDPISA-N 1 0 344.415 2.820 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000610803594 479192550 /nfs/dbraw/zinc/19/25/50/479192550.db2.gz LYCPKMAUZGPDFI-SUMWQHHRSA-N 1 0 344.415 2.820 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)CN1CCCCC1 ZINC000610799007 479192809 /nfs/dbraw/zinc/19/28/09/479192809.db2.gz KKBBYZHAKXJNSH-HUUCEWRRSA-N 1 0 348.447 2.776 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593128667 479194797 /nfs/dbraw/zinc/19/47/97/479194797.db2.gz LQGNJFCGURGSFA-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000596208785 479199963 /nfs/dbraw/zinc/19/99/63/479199963.db2.gz MEIVWAUKBSECDL-CQSZACIVSA-N 1 0 337.420 2.825 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602151033 479203362 /nfs/dbraw/zinc/20/33/62/479203362.db2.gz MAFBHKGKJSEAPW-KRWDZBQOSA-N 1 0 331.416 2.613 20 5 EFBDRO NC(=O)c1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000596224261 479209958 /nfs/dbraw/zinc/20/99/58/479209958.db2.gz FASHXHPSIJDRDF-OAHLLOKOSA-N 1 0 346.431 2.903 20 5 EFBDRO CCc1nn(C)c(N2CCC3(CCC([NH+](C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000596254769 479227428 /nfs/dbraw/zinc/22/74/28/479227428.db2.gz FUUPHTIZAFTBAP-UHFFFAOYSA-N 1 0 349.479 2.982 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593187912 479228432 /nfs/dbraw/zinc/22/84/32/479228432.db2.gz RPZWVQIDKKLOFI-UPJWGTAASA-N 1 0 334.420 2.580 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000556860027 479229387 /nfs/dbraw/zinc/22/93/87/479229387.db2.gz TXZWKWJWHVWNFK-LPHOPBHVSA-N 1 0 342.395 2.920 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593189642 479230487 /nfs/dbraw/zinc/23/04/87/479230487.db2.gz WNBMKHLTFFSANT-YNEHKIRRSA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610965069 479245528 /nfs/dbraw/zinc/24/55/28/479245528.db2.gz SKJXTDODTGXYSG-ZIAGYGMSSA-N 1 0 331.416 2.959 20 5 EFBDRO CC(C)Oc1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596308442 479248193 /nfs/dbraw/zinc/24/81/93/479248193.db2.gz SKWIPURMYJIIIR-ZDUSSCGKSA-N 1 0 336.436 2.731 20 5 EFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[NH+](C)C ZINC000596433274 479293256 /nfs/dbraw/zinc/29/32/56/479293256.db2.gz TURSKUQYWFIWQQ-AWEZNQCLSA-N 1 0 344.415 2.743 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596441905 479297388 /nfs/dbraw/zinc/29/73/88/479297388.db2.gz RVSVESAXFQQOKL-UHFFFAOYSA-N 1 0 327.388 2.709 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603196339 479298112 /nfs/dbraw/zinc/29/81/12/479298112.db2.gz AJOTVUDYBOCMTC-UHFFFAOYSA-N 1 0 333.367 2.796 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611164768 479298499 /nfs/dbraw/zinc/29/84/99/479298499.db2.gz BHGFCKMVQRDSRX-AWEZNQCLSA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000557664257 479299674 /nfs/dbraw/zinc/29/96/74/479299674.db2.gz PXGUYJBALFXQJF-UHFFFAOYSA-N 1 0 341.411 2.671 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000603202101 479301583 /nfs/dbraw/zinc/30/15/83/479301583.db2.gz UKMHLENWJBRVSN-UHFFFAOYSA-N 1 0 345.403 2.688 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCOC2)CC1 ZINC000611177226 479302388 /nfs/dbraw/zinc/30/23/88/479302388.db2.gz CQTNQTTVGUFORG-UHFFFAOYSA-N 1 0 347.415 2.734 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196485 479307712 /nfs/dbraw/zinc/30/77/12/479307712.db2.gz JZRWGOBNZICFCA-OLZOCXBDSA-N 1 0 342.399 2.775 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611195891 479308078 /nfs/dbraw/zinc/30/80/78/479308078.db2.gz JXYNJPJAFSLYNY-CYBMUJFWSA-N 1 0 342.399 2.777 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478439 479311339 /nfs/dbraw/zinc/31/13/39/479311339.db2.gz MQUZUAMPKGEYOD-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000596478054 479311638 /nfs/dbraw/zinc/31/16/38/479311638.db2.gz DUEGHDDPNJUTGW-LBPRGKRZSA-N 1 0 348.403 2.595 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000596481820 479312718 /nfs/dbraw/zinc/31/27/18/479312718.db2.gz HGCDBFMOFAQVHV-UHFFFAOYSA-N 1 0 348.447 2.660 20 5 EFBDRO CC[C@](C)([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232252 479313100 /nfs/dbraw/zinc/31/31/00/479313100.db2.gz VSSPLRFSZICQEY-ZDUSSCGKSA-N 1 0 343.309 2.837 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227239 479316375 /nfs/dbraw/zinc/31/63/75/479316375.db2.gz WZAJDVXIOWGKTI-SNVBAGLBSA-N 1 0 343.225 2.719 20 5 EFBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603246680 479319281 /nfs/dbraw/zinc/31/92/81/479319281.db2.gz FSDWVBZFRBWKSV-ZDUSSCGKSA-N 1 0 325.319 2.559 20 5 EFBDRO CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000593388353 479321645 /nfs/dbraw/zinc/32/16/45/479321645.db2.gz FFUYACDHURPCRX-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccc(O)cc2C1 ZINC000599535923 479324563 /nfs/dbraw/zinc/32/45/63/479324563.db2.gz AKPJWODKUVGPLV-UHFFFAOYSA-N 1 0 341.367 2.953 20 5 EFBDRO Cn1cc(C[N@H+](CCO)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611269781 479330664 /nfs/dbraw/zinc/33/06/64/479330664.db2.gz XSDGJAKXGNZEMR-UHFFFAOYSA-N 1 0 346.431 2.836 20 5 EFBDRO CCc1nn(C)c(N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000611280756 479335728 /nfs/dbraw/zinc/33/57/28/479335728.db2.gz JORAHWRIFJQOHG-UHFFFAOYSA-N 1 0 349.479 2.983 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596559422 479339065 /nfs/dbraw/zinc/33/90/65/479339065.db2.gz YGMPPLQABKBYMF-OAHLLOKOSA-N 1 0 329.404 2.806 20 5 EFBDRO CCOc1cc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297355 479341544 /nfs/dbraw/zinc/34/15/44/479341544.db2.gz VCIPMAZHHPPLKM-HNNXBMFYSA-N 1 0 348.447 2.574 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc2sccn21 ZINC000596569952 479343114 /nfs/dbraw/zinc/34/31/14/479343114.db2.gz DPQGWWVWZNGYLA-LBPRGKRZSA-N 1 0 335.433 2.838 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN(CCO)CCc2ccccc2)c(F)c1 ZINC000586764539 479347142 /nfs/dbraw/zinc/34/71/42/479347142.db2.gz VSYALTVTIFEILO-UHFFFAOYSA-N 1 0 336.338 2.910 20 5 EFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611314638 479347102 /nfs/dbraw/zinc/34/71/02/479347102.db2.gz WRNNQMVGFVLYHD-ZFWWWQNUSA-N 1 0 336.388 2.659 20 5 EFBDRO CCC1(O)CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611314573 479347364 /nfs/dbraw/zinc/34/73/64/479347364.db2.gz MAAOJLMRTHCYRB-UHFFFAOYSA-N 1 0 336.388 2.539 20 5 EFBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCC1 ZINC000611335725 479350456 /nfs/dbraw/zinc/35/04/56/479350456.db2.gz PCSSAHZIPQSOPD-MRXNPFEDSA-N 1 0 331.416 2.564 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611336025 479350825 /nfs/dbraw/zinc/35/08/25/479350825.db2.gz PNXURSFQSFCSQF-GOEBONIOSA-N 1 0 343.431 2.750 20 5 EFBDRO C[C@@H]1CC(F)(F)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624235 479357686 /nfs/dbraw/zinc/35/76/86/479357686.db2.gz UNKQXXPGUDGYGM-LLVKDONJSA-N 1 0 339.342 2.604 20 5 EFBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593483849 479361710 /nfs/dbraw/zinc/36/17/10/479361710.db2.gz JVDGSEMIMIMNQD-QLFBSQMISA-N 1 0 343.431 2.816 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611374343 479361842 /nfs/dbraw/zinc/36/18/42/479361842.db2.gz ORCUYMOZGKLONE-OLZOCXBDSA-N 1 0 334.420 2.685 20 5 EFBDRO CC[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1[NH3+] ZINC000602494064 479368801 /nfs/dbraw/zinc/36/88/01/479368801.db2.gz WZZZBMPKWSGQJD-CJNGLKHVSA-N 1 0 331.416 2.602 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(F)cc3)CC2)cn1 ZINC000602502605 479370404 /nfs/dbraw/zinc/37/04/04/479370404.db2.gz GPUHXZJFUHCBRV-UHFFFAOYSA-N 1 0 344.390 2.930 20 5 EFBDRO C[NH+](C)C(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602501064 479370587 /nfs/dbraw/zinc/37/05/87/479370587.db2.gz AALQNUNRVPYZIH-UHFFFAOYSA-N 1 0 336.255 2.849 20 5 EFBDRO CCCCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503922 479372319 /nfs/dbraw/zinc/37/23/19/479372319.db2.gz OWRRUFBSDYTXOJ-UHFFFAOYSA-N 1 0 336.436 2.755 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000587630436 479373007 /nfs/dbraw/zinc/37/30/07/479373007.db2.gz KANKPHQKXVFFSM-ZDUSSCGKSA-N 1 0 335.404 2.657 20 5 EFBDRO CC(C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000602510722 479374575 /nfs/dbraw/zinc/37/45/75/479374575.db2.gz MLKQICIQPHVDGM-HNNXBMFYSA-N 1 0 332.404 2.946 20 5 EFBDRO CCN(Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000599661319 479377503 /nfs/dbraw/zinc/37/75/03/479377503.db2.gz SVWPPVWXARMNRK-UHFFFAOYSA-N 1 0 332.404 2.975 20 5 EFBDRO C[NH+](C)C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000587970207 479377718 /nfs/dbraw/zinc/37/77/18/479377718.db2.gz NISLHTXXTGIDLW-JTQLQIEISA-N 1 0 334.203 2.668 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC3CCCCC3)CC2)cn1 ZINC000602526594 479381491 /nfs/dbraw/zinc/38/14/91/479381491.db2.gz DPDAHIDHTAOVFD-UHFFFAOYSA-N 1 0 348.447 2.898 20 5 EFBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602526522 479381668 /nfs/dbraw/zinc/38/16/68/479381668.db2.gz ORKRKXVSEJYCJE-MRVPVSSYSA-N 1 0 337.239 2.915 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC000611472529 479387644 /nfs/dbraw/zinc/38/76/44/479387644.db2.gz BTLWKPATHUEPDH-ZDUSSCGKSA-N 1 0 335.433 2.737 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000602535732 479387959 /nfs/dbraw/zinc/38/79/59/479387959.db2.gz QTPGQYCSYICADO-NSHDSACASA-N 1 0 348.321 2.756 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602541269 479388258 /nfs/dbraw/zinc/38/82/58/479388258.db2.gz PJEMRULYCKDARX-ZYHUDNBSSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cn1 ZINC000602540265 479388453 /nfs/dbraw/zinc/38/84/53/479388453.db2.gz KWVCGJQPYVETQD-HNNXBMFYSA-N 1 0 338.411 2.888 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541218 479388471 /nfs/dbraw/zinc/38/84/71/479388471.db2.gz OHLRBDFCZMOUOD-JQWIXIFHSA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588071863 479389422 /nfs/dbraw/zinc/38/94/22/479389422.db2.gz IMAJSWWHEZIDBN-GXTWGEPZSA-N 1 0 327.388 2.601 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602542097 479389898 /nfs/dbraw/zinc/38/98/98/479389898.db2.gz SXYBPZQEFCHVNH-WCQYABFASA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@H](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000596693266 479390132 /nfs/dbraw/zinc/39/01/32/479390132.db2.gz DELOUMFNKWEKBV-SECBINFHSA-N 1 0 346.334 2.658 20 5 EFBDRO C[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000602545798 479391133 /nfs/dbraw/zinc/39/11/33/479391133.db2.gz WEHDMFWELFICLM-QMMMGPOBSA-N 1 0 348.266 2.991 20 5 EFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554557 479393926 /nfs/dbraw/zinc/39/39/26/479393926.db2.gz FHYLZGIDMJXYEW-LLVKDONJSA-N 1 0 337.239 2.915 20 5 EFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554988 479395322 /nfs/dbraw/zinc/39/53/22/479395322.db2.gz FHYLZGIDMJXYEW-NSHDSACASA-N 1 0 337.239 2.915 20 5 EFBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602557772 479396956 /nfs/dbraw/zinc/39/69/56/479396956.db2.gz ILKUPTNOTDRITE-JGVFFNPUSA-N 1 0 337.239 2.915 20 5 EFBDRO COCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602568516 479401253 /nfs/dbraw/zinc/40/12/53/479401253.db2.gz OCJQWVGFFKVECS-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cn1 ZINC000602569809 479401981 /nfs/dbraw/zinc/40/19/81/479401981.db2.gz SJICJZIOYVXOIG-ZACQAIPSSA-N 1 0 346.431 2.506 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602573012 479403661 /nfs/dbraw/zinc/40/36/61/479403661.db2.gz WGVBZZYCVLAVSS-SNVBAGLBSA-N 1 0 335.223 2.933 20 5 EFBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574643 479404973 /nfs/dbraw/zinc/40/49/73/479404973.db2.gz XOPQWFHZSYXGMI-QMMMGPOBSA-N 1 0 337.239 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cn1 ZINC000602576757 479405804 /nfs/dbraw/zinc/40/58/04/479405804.db2.gz OWGAXGLFTIRVFC-LBPRGKRZSA-N 1 0 326.347 2.736 20 5 EFBDRO COc1cc(OC)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1F ZINC000593627245 479407691 /nfs/dbraw/zinc/40/76/91/479407691.db2.gz BJVHXDGSDBOTQP-UHFFFAOYSA-N 1 0 349.362 2.716 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000575127159 479407785 /nfs/dbraw/zinc/40/77/85/479407785.db2.gz WCEUNUZBLFWJLI-CVEARBPZSA-N 1 0 346.435 2.898 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 ZINC000602581778 479409006 /nfs/dbraw/zinc/40/90/06/479409006.db2.gz RLMDBPBKJHAKCF-JKSUJKDBSA-N 1 0 334.420 2.506 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCCC1 ZINC000575136752 479410217 /nfs/dbraw/zinc/41/02/17/479410217.db2.gz JLYSRUGNNNEDSE-MRXNPFEDSA-N 1 0 331.416 2.964 20 5 EFBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000575163078 479413730 /nfs/dbraw/zinc/41/37/30/479413730.db2.gz XUIODWSTXBYRIJ-UHFFFAOYSA-N 1 0 345.241 2.626 20 5 EFBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603628849 479415134 /nfs/dbraw/zinc/41/51/34/479415134.db2.gz IENGRGKESISITQ-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)(C)O1 ZINC000602603183 479418617 /nfs/dbraw/zinc/41/86/17/479418617.db2.gz MNQLQILLHDMSSZ-OAHLLOKOSA-N 1 0 348.447 2.894 20 5 EFBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000575195188 479418958 /nfs/dbraw/zinc/41/89/58/479418958.db2.gz DSLYXHGAAMANNR-MRXNPFEDSA-N 1 0 343.358 2.741 20 5 EFBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593682138 479421969 /nfs/dbraw/zinc/42/19/69/479421969.db2.gz NVDBUMSWSTVVKA-QWHCGFSZSA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)o1 ZINC000593691273 479424042 /nfs/dbraw/zinc/42/40/42/479424042.db2.gz SUIOMDDDZMHFRA-SFHVURJKSA-N 1 0 346.383 2.876 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593688407 479424583 /nfs/dbraw/zinc/42/45/83/479424583.db2.gz HVLOSLWDJFIQQH-ZOBUZTSGSA-N 1 0 345.443 2.764 20 5 EFBDRO COCCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602614661 479424874 /nfs/dbraw/zinc/42/48/74/479424874.db2.gz UNJMKGWIGXXIJD-UHFFFAOYSA-N 1 0 336.436 2.611 20 5 EFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617206 479425817 /nfs/dbraw/zinc/42/58/17/479425817.db2.gz BKVNMXGAIRAQNF-SGJFDWMWSA-N 1 0 335.223 2.836 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000603755867 479426245 /nfs/dbraw/zinc/42/62/45/479426245.db2.gz GZCBKAXTEFPRER-UHFFFAOYSA-N 1 0 335.385 2.979 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593708501 479431287 /nfs/dbraw/zinc/43/12/87/479431287.db2.gz ZOYWGIUEXZMIFE-YEWWUXTCSA-N 1 0 346.431 2.735 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@]1(O)CCCOC1)CCCC2 ZINC000593722273 479434335 /nfs/dbraw/zinc/43/43/35/479434335.db2.gz WOBFRINPBYZWDE-QZTJIDSGSA-N 1 0 334.416 2.884 20 5 EFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000603842619 479436476 /nfs/dbraw/zinc/43/64/76/479436476.db2.gz FVILILMVUHOIAL-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575401322 479437946 /nfs/dbraw/zinc/43/79/46/479437946.db2.gz SPGOXEICFWBXIP-HTQZYQBOSA-N 1 0 334.298 2.861 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000588770707 479441525 /nfs/dbraw/zinc/44/15/25/479441525.db2.gz KCNGIMHGRUVATG-UHFFFAOYSA-N 1 0 348.447 2.804 20 5 EFBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653459 479449525 /nfs/dbraw/zinc/44/95/25/479449525.db2.gz IEIHRDXVFAPVAY-MRVPVSSYSA-N 1 0 337.239 2.773 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611701892 479449930 /nfs/dbraw/zinc/44/99/30/479449930.db2.gz RQWCOWUUEWUNIB-KBPBESRZSA-N 1 0 343.431 2.740 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593764202 479453095 /nfs/dbraw/zinc/45/30/95/479453095.db2.gz YRYMFZWSJIJBAG-SJCJKPOMSA-N 1 0 348.403 2.586 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000602671155 479464659 /nfs/dbraw/zinc/46/46/59/479464659.db2.gz RCUMWXFHSPEMTR-UHFFFAOYSA-N 1 0 326.400 2.922 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000602671132 479464740 /nfs/dbraw/zinc/46/47/40/479464740.db2.gz QNBUZWWTPKDDRC-RBUKOAKNSA-N 1 0 326.396 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000575752911 479467588 /nfs/dbraw/zinc/46/75/88/479467588.db2.gz QLXIWPCCAQWXIV-KSSFIOAISA-N 1 0 334.416 2.989 20 5 EFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674869 479468447 /nfs/dbraw/zinc/46/84/47/479468447.db2.gz GXMBPGMRWUUUFN-RISCZKNCSA-N 1 0 348.321 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(N3CCOCC3)c2)cc1 ZINC000602676005 479468615 /nfs/dbraw/zinc/46/86/15/479468615.db2.gz OQMYFXAQFGFPEL-UHFFFAOYSA-N 1 0 341.411 2.764 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599915991 479470191 /nfs/dbraw/zinc/47/01/91/479470191.db2.gz AWJRGQZXQLFCAL-QGZVFWFLSA-N 1 0 348.447 2.557 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000596889576 479475212 /nfs/dbraw/zinc/47/52/12/479475212.db2.gz IBSPNUVPZRZEOJ-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000602695164 479482391 /nfs/dbraw/zinc/48/23/91/479482391.db2.gz FBNNLKZQEMFMQB-MRXNPFEDSA-N 1 0 347.440 2.883 20 5 EFBDRO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985199 479486654 /nfs/dbraw/zinc/48/66/54/479486654.db2.gz ABLJCICLZIESFW-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000589188243 479493694 /nfs/dbraw/zinc/49/36/94/479493694.db2.gz QPBPGBISUJVDSS-UHFFFAOYSA-N 1 0 348.399 2.913 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593884776 479497111 /nfs/dbraw/zinc/49/71/11/479497111.db2.gz WOMCGURNHHHGPL-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CCC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OCC ZINC000602722022 479503772 /nfs/dbraw/zinc/50/37/72/479503772.db2.gz ZFELVAYSZSEFHC-MRXNPFEDSA-N 1 0 336.436 2.753 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])c1C ZINC000593914256 479506915 /nfs/dbraw/zinc/50/69/15/479506915.db2.gz BXNHNHOGKDKHML-SMDDNHRTSA-N 1 0 335.404 2.501 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593915856 479507245 /nfs/dbraw/zinc/50/72/45/479507245.db2.gz YTPWWMJSFBWODN-LRDDRELGSA-N 1 0 335.429 2.518 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593915304 479507538 /nfs/dbraw/zinc/50/75/38/479507538.db2.gz IJKXJFTVLXHPHE-XHDPSFHLSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915676 479507657 /nfs/dbraw/zinc/50/76/57/479507657.db2.gz JSTPQOBJKWVBDX-IUODEOHRSA-N 1 0 337.445 2.663 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916861 479508347 /nfs/dbraw/zinc/50/83/47/479508347.db2.gz SQJUYJHEVSINTK-OCCSQVGLSA-N 1 0 335.404 2.583 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593934158 479511225 /nfs/dbraw/zinc/51/12/25/479511225.db2.gz ILZQGQVXHNIYGA-RISCZKNCSA-N 1 0 337.445 2.906 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593934160 479512076 /nfs/dbraw/zinc/51/20/76/479512076.db2.gz ILZQGQVXHNIYGA-SMDDNHRTSA-N 1 0 337.445 2.906 20 5 EFBDRO CN1CCC2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000618620828 479516316 /nfs/dbraw/zinc/51/63/16/479516316.db2.gz UIWBUYKPDNUQHV-XQRVVYSFSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589344848 479517083 /nfs/dbraw/zinc/51/70/83/479517083.db2.gz QRWTXKGUXRGUEK-AWEZNQCLSA-N 1 0 341.411 2.734 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604476303 479523135 /nfs/dbraw/zinc/52/31/35/479523135.db2.gz LKQWFKVEWZZMBO-UHFFFAOYSA-N 1 0 348.447 2.857 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611938889 479526605 /nfs/dbraw/zinc/52/66/05/479526605.db2.gz BLYJZOWGSPJAAM-CYBMUJFWSA-N 1 0 328.372 2.896 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939786 479526768 /nfs/dbraw/zinc/52/67/68/479526768.db2.gz OLBOCOIYSKNOON-GFCCVEGCSA-N 1 0 344.371 2.596 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cnccc1C ZINC000611940344 479528432 /nfs/dbraw/zinc/52/84/32/479528432.db2.gz YCNYTBHUZXMNQO-GFCCVEGCSA-N 1 0 344.371 2.596 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576084903 479533711 /nfs/dbraw/zinc/53/37/11/479533711.db2.gz NJCZAEXQOMQXHL-DZGCQCFKSA-N 1 0 331.416 2.831 20 5 EFBDRO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000602767103 479537531 /nfs/dbraw/zinc/53/75/31/479537531.db2.gz VWAJJVPZIYBSAB-AWEZNQCLSA-N 1 0 332.404 2.809 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604561540 479544815 /nfs/dbraw/zinc/54/48/15/479544815.db2.gz CTZBEMCMSOEHER-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3CO)co2)cc1 ZINC000594017361 479550787 /nfs/dbraw/zinc/55/07/87/479550787.db2.gz XAQKFSSKXJHBQC-MRXNPFEDSA-N 1 0 331.372 2.987 20 5 EFBDRO Cc1csc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCCC2)n1 ZINC000602793950 479556182 /nfs/dbraw/zinc/55/61/82/479556182.db2.gz UOHUHKKTUQAJNF-UHFFFAOYSA-N 1 0 335.433 2.924 20 5 EFBDRO Cc1ncc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962444 479561131 /nfs/dbraw/zinc/56/11/31/479561131.db2.gz DJTHAETVBFBIJQ-TZMCWYRMSA-N 1 0 342.403 2.644 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000602805369 479565625 /nfs/dbraw/zinc/56/56/25/479565625.db2.gz LBHXESJSJXLRNB-RDJZCZTQSA-N 1 0 344.415 2.857 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000602822090 479575639 /nfs/dbraw/zinc/57/56/39/479575639.db2.gz RKQOSIKULOUXMP-GJZGRUSLSA-N 1 0 349.431 2.541 20 5 EFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000602827418 479578797 /nfs/dbraw/zinc/57/87/97/479578797.db2.gz CKTGTFCALSBMOJ-AWEZNQCLSA-N 1 0 348.403 2.858 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCC[C@H]21 ZINC000590204426 479617647 /nfs/dbraw/zinc/61/76/47/479617647.db2.gz LBRBZAOLDQYNAU-CVEARBPZSA-N 1 0 343.427 2.994 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000597207181 479621421 /nfs/dbraw/zinc/62/14/21/479621421.db2.gz SQEKZLZVZHPGEV-IQUZECRKSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](c2ccncc2)C1 ZINC000578879271 479624719 /nfs/dbraw/zinc/62/47/19/479624719.db2.gz RHPZSCQSAIPKOC-HNNXBMFYSA-N 1 0 340.383 2.726 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597220728 479626868 /nfs/dbraw/zinc/62/68/68/479626868.db2.gz GLPKRSVNUFEUNP-DMRZNYOFSA-N 1 0 332.400 2.847 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594195428 479627037 /nfs/dbraw/zinc/62/70/37/479627037.db2.gz GYDAQJXKKPFOHM-RRQGHBQHSA-N 1 0 331.416 2.831 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198710 479628865 /nfs/dbraw/zinc/62/88/65/479628865.db2.gz VEJGFQKJQNUVCV-SJORKVTESA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594198684 479629002 /nfs/dbraw/zinc/62/90/02/479629002.db2.gz UVMJNBQPILKCGB-WBVHZDCISA-N 1 0 331.416 2.579 20 5 EFBDRO Cc1c(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594198681 479629700 /nfs/dbraw/zinc/62/97/00/479629700.db2.gz UVMJNBQPILKCGB-DOTOQJQBSA-N 1 0 331.416 2.579 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Cl ZINC000594202774 479631135 /nfs/dbraw/zinc/63/11/35/479631135.db2.gz RQLOXRDWDJBXAQ-GJZGRUSLSA-N 1 0 337.807 2.995 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000602921434 479631242 /nfs/dbraw/zinc/63/12/42/479631242.db2.gz ZBQGRFSGKSHAMW-UHFFFAOYSA-N 1 0 326.418 2.810 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000597236363 479636695 /nfs/dbraw/zinc/63/66/95/479636695.db2.gz QFNREYFHEAHTJA-HIFRSBDPSA-N 1 0 346.330 2.514 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@@]3(CCCO3)[C@H]1C1CC1)OCCO2 ZINC000590381005 479636700 /nfs/dbraw/zinc/63/67/00/479636700.db2.gz UDCSRKPDBLWQNU-MSOLQXFVSA-N 1 0 346.383 2.509 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597241094 479639493 /nfs/dbraw/zinc/63/94/93/479639493.db2.gz CJRXOLVUMOLBRM-JOCQHMNTSA-N 1 0 330.340 2.896 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000590402923 479640556 /nfs/dbraw/zinc/64/05/56/479640556.db2.gz KKBUFRUMGUWORX-GXFFZTMASA-N 1 0 333.413 2.974 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCOCC1 ZINC000597251746 479644599 /nfs/dbraw/zinc/64/45/99/479644599.db2.gz LPZATQYIPCBPRA-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)OCCO2 ZINC000615283736 479647813 /nfs/dbraw/zinc/64/78/13/479647813.db2.gz XBQIXXSHHUXHSS-MRXNPFEDSA-N 1 0 348.399 2.757 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000612346659 479650851 /nfs/dbraw/zinc/65/08/51/479650851.db2.gz LTWJSSOCYBTSAT-UHFFFAOYSA-N 1 0 328.372 2.972 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000602957411 479651362 /nfs/dbraw/zinc/65/13/62/479651362.db2.gz SPDYDTZNTLMTGU-SNVBAGLBSA-N 1 0 346.412 2.600 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000579181621 479668925 /nfs/dbraw/zinc/66/89/25/479668925.db2.gz SBAXAMKSOUOOJH-SNVBAGLBSA-N 1 0 345.241 2.707 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([NH+]4CCCCC4)CC3)c21 ZINC000612438612 479673079 /nfs/dbraw/zinc/67/30/79/479673079.db2.gz PAUARKZWQIEWGY-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000612544096 479689776 /nfs/dbraw/zinc/68/97/76/479689776.db2.gz LQYOCIIIRHKRNT-QWHCGFSZSA-N 1 0 337.395 2.828 20 5 EFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CNc2ccnn2C1 ZINC000619265756 479739299 /nfs/dbraw/zinc/73/92/99/479739299.db2.gz VNSPJRUYGJOZFH-HNNXBMFYSA-N 1 0 329.404 2.744 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000619573917 479831996 /nfs/dbraw/zinc/83/19/96/479831996.db2.gz CVKAREMYOLZEOI-UHFFFAOYSA-N 1 0 331.416 2.878 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000619578777 479834701 /nfs/dbraw/zinc/83/47/01/479834701.db2.gz PEJPGXOAVYYMHA-MRXNPFEDSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000619583263 479835562 /nfs/dbraw/zinc/83/55/62/479835562.db2.gz GPIXVOURIQVCHI-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO CCc1[nH+]c2ccccc2c(NCCn2cc([N+](=O)[O-])cn2)c1C ZINC000619587120 479836472 /nfs/dbraw/zinc/83/64/72/479836472.db2.gz COUBLVZQBBTXTQ-UHFFFAOYSA-N 1 0 325.372 2.744 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000613022561 479842810 /nfs/dbraw/zinc/84/28/10/479842810.db2.gz ZMUIJJUFXRLOFB-UHFFFAOYSA-N 1 0 339.411 2.812 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000619637794 479846201 /nfs/dbraw/zinc/84/62/01/479846201.db2.gz HLXJTQLULBGTKQ-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609553545 480173706 /nfs/dbraw/zinc/17/37/06/480173706.db2.gz YUONSDHOOWIPPR-GFCCVEGCSA-N 1 0 336.392 2.598 20 5 EFBDRO C[N@@H+]1CCCN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000609560646 480175667 /nfs/dbraw/zinc/17/56/67/480175667.db2.gz DFEDAWGYGPSTKV-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCOC1 ZINC000609631739 480191956 /nfs/dbraw/zinc/19/19/56/480191956.db2.gz SDMCTBQOFSESIC-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609672855 480195296 /nfs/dbraw/zinc/19/52/96/480195296.db2.gz TXSGUNNGMATATE-UHFFFAOYSA-N 1 0 339.395 2.614 20 5 EFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609672322 480195359 /nfs/dbraw/zinc/19/53/59/480195359.db2.gz FJFSWALZAQENSB-UHFFFAOYSA-N 1 0 339.395 2.614 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000609793850 480205923 /nfs/dbraw/zinc/20/59/23/480205923.db2.gz UQBDWVUNRBALCO-LLVKDONJSA-N 1 0 339.823 2.637 20 5 EFBDRO O=[N+]([O-])c1ncccc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000609802588 480206824 /nfs/dbraw/zinc/20/68/24/480206824.db2.gz MTAUNIOZYYTNPK-JTQLQIEISA-N 1 0 346.416 2.534 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609877964 480216510 /nfs/dbraw/zinc/21/65/10/480216510.db2.gz RHWSSUUPDKDQKA-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609920739 480221826 /nfs/dbraw/zinc/22/18/26/480221826.db2.gz FYPRUWGEVRNYFB-CYBMUJFWSA-N 1 0 325.796 2.851 20 5 EFBDRO CCCC(O)(CCC)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610010063 480228591 /nfs/dbraw/zinc/22/85/91/480228591.db2.gz SKRBVPZHYLVQRT-UHFFFAOYSA-N 1 0 338.404 2.787 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610068033 480234215 /nfs/dbraw/zinc/23/42/15/480234215.db2.gz OBTLVKGVAQVZJL-CYBMUJFWSA-N 1 0 342.399 2.634 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000610111736 480239554 /nfs/dbraw/zinc/23/95/54/480239554.db2.gz AXIFNOCJJJWZNO-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000610112080 480239635 /nfs/dbraw/zinc/23/96/35/480239635.db2.gz VCFKFRRILZMOMU-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610125507 480240936 /nfs/dbraw/zinc/24/09/36/480240936.db2.gz AGTBVTZHZOVXRW-TZMCWYRMSA-N 1 0 334.420 2.581 20 5 EFBDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335363 480282465 /nfs/dbraw/zinc/28/24/65/480282465.db2.gz QNGUFVSLRBGFII-QGZVFWFLSA-N 1 0 346.431 2.582 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610391580 480296083 /nfs/dbraw/zinc/29/60/83/480296083.db2.gz DGPPAXSXEHOGAP-HZPDHXFCSA-N 1 0 333.432 2.843 20 5 EFBDRO O=C(C[NH+]1C2CCCC1CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610395003 480296562 /nfs/dbraw/zinc/29/65/62/480296562.db2.gz IOLGFLAIDLIXJH-UHFFFAOYSA-N 1 0 329.400 2.891 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000614444675 480308240 /nfs/dbraw/zinc/30/82/40/480308240.db2.gz CPISBVBDELEHLJ-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610447766 480309245 /nfs/dbraw/zinc/30/92/45/480309245.db2.gz SZSQMFAKYHLPHB-WMZOPIPTSA-N 1 0 344.415 2.891 20 5 EFBDRO CSc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610473531 480313824 /nfs/dbraw/zinc/31/38/24/480313824.db2.gz AERHPJWNWFHRCH-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724498 480336425 /nfs/dbraw/zinc/33/64/25/480336425.db2.gz FNGKHHHPSFBLSW-WMLDXEAASA-N 1 0 331.416 2.785 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCn3cnc4ccccc43)nc2c1 ZINC000610581449 480341997 /nfs/dbraw/zinc/34/19/97/480341997.db2.gz DJLYCGDXWDFOPT-UHFFFAOYSA-N 1 0 337.339 2.876 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610583373 480343675 /nfs/dbraw/zinc/34/36/75/480343675.db2.gz MYSQTNIPRUISLZ-OCCSQVGLSA-N 1 0 330.388 2.795 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617753244 480352459 /nfs/dbraw/zinc/35/24/59/480352459.db2.gz LXLMFOBIKXDJLX-RHSMWYFYSA-N 1 0 345.443 2.889 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610643229 480354326 /nfs/dbraw/zinc/35/43/26/480354326.db2.gz XARCHVVLBLFRLV-ZDUSSCGKSA-N 1 0 348.447 2.859 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000618280676 480603711 /nfs/dbraw/zinc/60/37/11/480603711.db2.gz PYIJQGXMEMJAOM-AWEZNQCLSA-N 1 0 329.404 2.531 20 5 EFBDRO Cc1c(CC(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000159842742 533831748 /nfs/dbraw/zinc/83/17/48/533831748.db2.gz SQAJNIOFEOMZHE-UHFFFAOYSA-N 1 0 333.432 2.684 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173382964 533900504 /nfs/dbraw/zinc/90/05/04/533900504.db2.gz XNEIQMOCCVGWML-KSSFIOAISA-N 1 0 330.384 2.823 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391240 533955630 /nfs/dbraw/zinc/95/56/30/533955630.db2.gz QWZWPBHSMZWDLP-NWDGAFQWSA-N 1 0 345.403 2.623 20 5 EFBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000178679934 533979389 /nfs/dbraw/zinc/97/93/89/533979389.db2.gz ZHGZUDWRPBMICK-VXGBXAGGSA-N 1 0 332.360 2.877 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153445057 534005550 /nfs/dbraw/zinc/00/55/50/534005550.db2.gz FZDXERQSNSVIMM-OCCSQVGLSA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000179710362 534022676 /nfs/dbraw/zinc/02/26/76/534022676.db2.gz FYCRJVOMQXFXPG-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000129960597 534038435 /nfs/dbraw/zinc/03/84/35/534038435.db2.gz YKUGVIBDVLKDSY-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191345422 534055607 /nfs/dbraw/zinc/05/56/07/534055607.db2.gz ODIVEWSKFOHCGY-KGLIPLIRSA-N 1 0 332.404 2.912 20 5 EFBDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178572030 534093843 /nfs/dbraw/zinc/09/38/43/534093843.db2.gz XGOJRMVDRXJCCF-KRWDZBQOSA-N 1 0 344.367 2.547 20 5 EFBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129243654 534231032 /nfs/dbraw/zinc/23/10/32/534231032.db2.gz JRBJHKFHOJKZIW-ZENOOKHLSA-N 1 0 340.445 2.783 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153495598 534333384 /nfs/dbraw/zinc/33/33/84/534333384.db2.gz XRUCDESPVLITIV-RDTXWAMCSA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372025305 518178766 /nfs/dbraw/zinc/17/87/66/518178766.db2.gz HSOLJRLDSMDYJX-GFCCVEGCSA-N 1 0 349.456 2.818 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000352067170 534366525 /nfs/dbraw/zinc/36/65/25/534366525.db2.gz GYJYMNVBCWLKCO-ZBFHGGJFSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000194341013 518706743 /nfs/dbraw/zinc/70/67/43/518706743.db2.gz FLNFGFAUPCAPJB-UHFFFAOYSA-N 1 0 349.431 2.743 20 5 EFBDRO C[N@H+](CCCCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000227052983 536332693 /nfs/dbraw/zinc/33/26/93/536332693.db2.gz IPBYOULEJDSKSN-UHFFFAOYSA-N 1 0 331.210 2.952 20 5 EFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccco1 ZINC000066484010 519655596 /nfs/dbraw/zinc/65/55/96/519655596.db2.gz BGYKOBGOLTZXNN-KRWDZBQOSA-N 1 0 348.399 2.976 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189915398 534472057 /nfs/dbraw/zinc/47/20/57/534472057.db2.gz OEGVURQTSGCJRR-GFCCVEGCSA-N 1 0 341.839 2.525 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534393 520607761 /nfs/dbraw/zinc/60/77/61/520607761.db2.gz DXLMXORQJLZMDH-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000060453149 520629680 /nfs/dbraw/zinc/62/96/80/520629680.db2.gz LZVTXKPYZUACLJ-GFCCVEGCSA-N 1 0 325.384 2.974 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042537211 520634992 /nfs/dbraw/zinc/63/49/92/520634992.db2.gz JPDUWXHPSFWWBS-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153240934 520777886 /nfs/dbraw/zinc/77/78/86/520777886.db2.gz AYCSUHCETAJMIQ-MAUKXSAKSA-N 1 0 335.448 2.994 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072834616 520874383 /nfs/dbraw/zinc/87/43/83/520874383.db2.gz LJWNLPZJVPXSBF-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090454445 521226050 /nfs/dbraw/zinc/22/60/50/521226050.db2.gz WLRIHFNEHQJQAU-BXUZGUMPSA-N 1 0 330.388 2.925 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000090880935 521259024 /nfs/dbraw/zinc/25/90/24/521259024.db2.gz RVQLEAMCAPDOKO-ZDUSSCGKSA-N 1 0 337.420 2.806 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090454446 521260407 /nfs/dbraw/zinc/26/04/07/521260407.db2.gz WLRIHFNEHQJQAU-SMDDNHRTSA-N 1 0 330.388 2.925 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000245507338 521260475 /nfs/dbraw/zinc/26/04/75/521260475.db2.gz PTGLQQYDUBDHBO-IPYPFGDCSA-N 1 0 338.404 2.838 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CC[NH+](CC)CC1 ZINC000156516394 521447709 /nfs/dbraw/zinc/44/77/09/521447709.db2.gz RJHSNFZHTXGVOL-UHFFFAOYSA-N 1 0 339.367 2.807 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000078638048 521601406 /nfs/dbraw/zinc/60/14/06/521601406.db2.gz FQHIXAJCJXXULP-INIZCTEOSA-N 1 0 344.415 2.540 20 5 EFBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773420 521701915 /nfs/dbraw/zinc/70/19/15/521701915.db2.gz NWAXLYWEUTZZCF-HZPDHXFCSA-N 1 0 349.431 2.719 20 5 EFBDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000153930772 521784652 /nfs/dbraw/zinc/78/46/52/521784652.db2.gz UFWCFGNGLWJDJH-UHFFFAOYSA-N 1 0 328.372 2.630 20 5 EFBDRO C[NH+](C)Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000089420906 521902329 /nfs/dbraw/zinc/90/23/29/521902329.db2.gz PZVFYJVEYFIHEO-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000262141612 521982571 /nfs/dbraw/zinc/98/25/71/521982571.db2.gz MLSZRSKNMFIYFI-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154596118 522044042 /nfs/dbraw/zinc/04/40/42/522044042.db2.gz NQMFHMHGPARYNC-CHWSQXEVSA-N 1 0 342.399 2.746 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000054059736 522084072 /nfs/dbraw/zinc/08/40/72/522084072.db2.gz QZQKLJCRZIYIPX-HNNXBMFYSA-N 1 0 345.374 2.637 20 5 EFBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190619827 522103097 /nfs/dbraw/zinc/10/30/97/522103097.db2.gz JOHBFYMXBYRNGQ-UHFFFAOYSA-N 1 0 349.431 2.906 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000067203576 522108520 /nfs/dbraw/zinc/10/85/20/522108520.db2.gz JVAOHLJNEUXCEC-AWEZNQCLSA-N 1 0 325.368 2.728 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000081290267 522137610 /nfs/dbraw/zinc/13/76/10/522137610.db2.gz ATCFMIZFLUHXPG-OAHLLOKOSA-N 1 0 347.415 2.598 20 5 EFBDRO C[NH2+][C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261989319 522497528 /nfs/dbraw/zinc/49/75/28/522497528.db2.gz KDKBYPVUMNWKKQ-ZDUSSCGKSA-N 1 0 332.429 2.902 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120103982 522858872 /nfs/dbraw/zinc/85/88/72/522858872.db2.gz GYQYPNKESREYME-QZTJIDSGSA-N 1 0 335.448 2.992 20 5 EFBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245689111 522967672 /nfs/dbraw/zinc/96/76/72/522967672.db2.gz LKCUHNIOPXXCAN-SJLPKXTDSA-N 1 0 345.399 2.813 20 5 EFBDRO C[NH+]1CCC(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120190506 523761867 /nfs/dbraw/zinc/76/18/67/523761867.db2.gz IFSXHOTWKLCXPL-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000191623042 534743522 /nfs/dbraw/zinc/74/35/22/534743522.db2.gz PRFMXALHGOIYPX-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179065113 523922881 /nfs/dbraw/zinc/92/28/81/523922881.db2.gz FDYKMFDLOVMBDR-CQSZACIVSA-N 1 0 341.367 2.821 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121196518 524074234 /nfs/dbraw/zinc/07/42/34/524074234.db2.gz NCTXRGWMXFSPNW-ZDUSSCGKSA-N 1 0 346.383 2.653 20 5 EFBDRO C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000157894580 524092551 /nfs/dbraw/zinc/09/25/51/524092551.db2.gz IEQXWDYNTMOGRW-IINYFYTJSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150788848 524337429 /nfs/dbraw/zinc/33/74/29/524337429.db2.gz YWEMTTCZUQEEDS-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000154041616 524577935 /nfs/dbraw/zinc/57/79/35/524577935.db2.gz SGVBLXWESYXOIG-IAGOWNOFSA-N 1 0 346.475 2.585 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000193115650 524584201 /nfs/dbraw/zinc/58/42/01/524584201.db2.gz UHZHMILIGRPELY-NWDGAFQWSA-N 1 0 344.371 2.676 20 5 EFBDRO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(C[NH+](C)C)c1 ZINC000178200347 525244817 /nfs/dbraw/zinc/24/48/17/525244817.db2.gz QMJLRXSGUBBOLE-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000060063731 525449647 /nfs/dbraw/zinc/44/96/47/525449647.db2.gz RATAAUJDTAXKBD-QGZVFWFLSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090004129 525458570 /nfs/dbraw/zinc/45/85/70/525458570.db2.gz PMKXEGROHPGJCC-CQSZACIVSA-N 1 0 344.415 2.792 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000194719715 525468831 /nfs/dbraw/zinc/46/88/31/525468831.db2.gz FJBDAEGMMDQYMN-VXGBXAGGSA-N 1 0 344.371 2.676 20 5 EFBDRO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000121413238 525693071 /nfs/dbraw/zinc/69/30/71/525693071.db2.gz HPYDVXCYZHRJOV-HNNXBMFYSA-N 1 0 331.416 2.579 20 5 EFBDRO Cc1ccsc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078991280 525840056 /nfs/dbraw/zinc/84/00/56/525840056.db2.gz GBMXGHQGKSWMRI-CQSZACIVSA-N 1 0 336.413 2.836 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000174859258 534889075 /nfs/dbraw/zinc/88/90/75/534889075.db2.gz XBCOUYVPIHOYSI-UHFFFAOYSA-N 1 0 330.388 2.582 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000181116151 525915653 /nfs/dbraw/zinc/91/56/53/525915653.db2.gz NTINFOMLAYFASF-HSBZDZAISA-N 1 0 340.445 2.910 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245455013 526080400 /nfs/dbraw/zinc/08/04/00/526080400.db2.gz SGODWXSPQCUBOL-NEPJUHHUSA-N 1 0 335.429 2.625 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000236602012 534908909 /nfs/dbraw/zinc/90/89/09/534908909.db2.gz UAQZMQUYFLWGMX-CYBMUJFWSA-N 1 0 337.445 2.906 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000236601929 534909861 /nfs/dbraw/zinc/90/98/61/534909861.db2.gz KUXVOUWHOVIECD-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000343569083 534909929 /nfs/dbraw/zinc/90/99/29/534909929.db2.gz LUEJLLSHSFLENG-AWEZNQCLSA-N 1 0 335.404 2.516 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000120917636 526168232 /nfs/dbraw/zinc/16/82/32/526168232.db2.gz FTDRUVZMNVCKQE-AWEZNQCLSA-N 1 0 327.384 2.984 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174245701 526331229 /nfs/dbraw/zinc/33/12/29/526331229.db2.gz XJCYRVULTIYDJA-UHFFFAOYSA-N 1 0 348.428 2.836 20 5 EFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000178766013 526514593 /nfs/dbraw/zinc/51/45/93/526514593.db2.gz XCTKZCLYIYGEGV-HNNXBMFYSA-N 1 0 340.383 2.820 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000152612629 526603813 /nfs/dbraw/zinc/60/38/13/526603813.db2.gz CEMOLTASFVFFBX-OAHLLOKOSA-N 1 0 331.416 2.661 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181485850 526615270 /nfs/dbraw/zinc/61/52/70/526615270.db2.gz IGKSWHYHCOZBAD-CYBMUJFWSA-N 1 0 343.811 2.573 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183653096 526693332 /nfs/dbraw/zinc/69/33/32/526693332.db2.gz NEODERXRNJOLGO-ZDUSSCGKSA-N 1 0 343.811 2.573 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000359766648 536497325 /nfs/dbraw/zinc/49/73/25/536497325.db2.gz KRYKUHGEGVGGEV-ZDUSSCGKSA-N 1 0 349.431 2.906 20 5 EFBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1c(F)cccc1F ZINC000180222424 527019546 /nfs/dbraw/zinc/01/95/46/527019546.db2.gz FMWFPFKRFRJAHF-GFCCVEGCSA-N 1 0 347.321 2.768 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246170512 527046236 /nfs/dbraw/zinc/04/62/36/527046236.db2.gz RUIXTKNUMMHSMQ-UKRRQHHQSA-N 1 0 335.429 2.554 20 5 EFBDRO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245517544 527061017 /nfs/dbraw/zinc/06/10/17/527061017.db2.gz AFMPDOXRPCBIIA-IMJJTQAJSA-N 1 0 331.416 2.564 20 5 EFBDRO NC(=O)c1ccc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000110599615 527065997 /nfs/dbraw/zinc/06/59/97/527065997.db2.gz DJFGTWDNTFTTOF-UHFFFAOYSA-N 1 0 334.420 2.762 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157892669 527194001 /nfs/dbraw/zinc/19/40/01/527194001.db2.gz CETGZVFPDDYAPJ-LLVKDONJSA-N 1 0 342.237 2.918 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293568 527272438 /nfs/dbraw/zinc/27/24/38/527272438.db2.gz SRSXCMIZTRSGCG-INIZCTEOSA-N 1 0 331.416 2.518 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000261856068 527329379 /nfs/dbraw/zinc/32/93/79/527329379.db2.gz XHEATSQKKLDKTD-CQSZACIVSA-N 1 0 340.221 2.543 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193624073 527371368 /nfs/dbraw/zinc/37/13/68/527371368.db2.gz YVKMBOUVTBQLCL-AWEZNQCLSA-N 1 0 330.388 2.966 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180850032 527725010 /nfs/dbraw/zinc/72/50/10/527725010.db2.gz WPPBXHLLLLGRMW-UHFFFAOYSA-N 1 0 348.447 2.665 20 5 EFBDRO CCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000178896116 527778728 /nfs/dbraw/zinc/77/87/28/527778728.db2.gz SKLNBRKFBGBXIE-JSGCOSHPSA-N 1 0 337.445 2.676 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000174255146 527830695 /nfs/dbraw/zinc/83/06/95/527830695.db2.gz BAYKSWQHHTYXQB-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177858295 527831156 /nfs/dbraw/zinc/83/11/56/527831156.db2.gz AYDQUSJYGMCEBB-UONOGXRCSA-N 1 0 334.420 2.639 20 5 EFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000154460891 527902543 /nfs/dbraw/zinc/90/25/43/527902543.db2.gz PMLNESPOTYQMPL-YESZJQIVSA-N 1 0 334.416 2.908 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134518718 528001694 /nfs/dbraw/zinc/00/16/94/528001694.db2.gz DJPMFQVGICFRIX-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000188003154 528119183 /nfs/dbraw/zinc/11/91/83/528119183.db2.gz YAASYDUJKLRPMA-XLWVJDPXSA-N 1 0 349.431 2.613 20 5 EFBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000188003101 528160357 /nfs/dbraw/zinc/16/03/57/528160357.db2.gz YAASYDUJKLRPMA-QITLCBANSA-N 1 0 349.431 2.613 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132902696 528237550 /nfs/dbraw/zinc/23/75/50/528237550.db2.gz OOIHUOQHRASVAG-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178180438 528279171 /nfs/dbraw/zinc/27/91/71/528279171.db2.gz XMHJKGXVDFCCTC-CQSZACIVSA-N 1 0 346.387 2.583 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccn1 ZINC000181741914 528399934 /nfs/dbraw/zinc/39/99/34/528399934.db2.gz KVIUTBXEJKQDFY-UHFFFAOYSA-N 1 0 346.362 2.980 20 5 EFBDRO CC(C)C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000134582994 528523676 /nfs/dbraw/zinc/52/36/76/528523676.db2.gz NSLYHGNXUDPAIQ-OAHLLOKOSA-N 1 0 346.431 2.711 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CC)C2)cc1[N+](=O)[O-] ZINC000154265812 528597309 /nfs/dbraw/zinc/59/73/09/528597309.db2.gz ZWHWISMIWZZMLZ-TZMCWYRMSA-N 1 0 335.404 2.655 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000175159263 528612820 /nfs/dbraw/zinc/61/28/20/528612820.db2.gz PJBIMSOXSRJRSP-UHFFFAOYSA-N 1 0 336.388 2.578 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173749718 529020046 /nfs/dbraw/zinc/02/00/46/529020046.db2.gz JADDCIOWEIJUPI-AWEZNQCLSA-N 1 0 338.404 2.731 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000186462224 529022331 /nfs/dbraw/zinc/02/23/31/529022331.db2.gz LKNXQGUUKKWKTQ-JKSUJKDBSA-N 1 0 347.415 2.736 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236788835 534937482 /nfs/dbraw/zinc/93/74/82/534937482.db2.gz GUOGWDLIWCOSBM-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412120652 534942863 /nfs/dbraw/zinc/94/28/63/534942863.db2.gz DUGVLCUYDZYSNC-UKRRQHHQSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412158169 534951262 /nfs/dbraw/zinc/95/12/62/534951262.db2.gz HREFESFJKUAVQJ-GJZGRUSLSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412181945 534951542 /nfs/dbraw/zinc/95/15/42/534951542.db2.gz YVZBPKIVXHLXJG-OCCSQVGLSA-N 1 0 347.415 2.737 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1=O ZINC000421871955 534979297 /nfs/dbraw/zinc/97/92/97/534979297.db2.gz GJMDWWILUSFABE-ZIAGYGMSSA-N 1 0 349.431 2.903 20 5 EFBDRO CC(C)[NH+](CCCNc1ncnc2cccc([N+](=O)[O-])c21)C(C)C ZINC000347420135 535052926 /nfs/dbraw/zinc/05/29/26/535052926.db2.gz WZJPXGBAQPSGAS-UHFFFAOYSA-N 1 0 331.420 2.881 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000356170258 535057076 /nfs/dbraw/zinc/05/70/76/535057076.db2.gz UPXWKDRNOXYWTP-UHFFFAOYSA-N 1 0 339.411 2.854 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341205070 535094190 /nfs/dbraw/zinc/09/41/90/535094190.db2.gz QKRJYXHMLNRHEQ-HOCLYGCPSA-N 1 0 348.447 2.998 20 5 EFBDRO CC(C)[C@@](C)(CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352877673 535311254 /nfs/dbraw/zinc/31/12/54/535311254.db2.gz BVEKXQWTGHOIGR-QGZVFWFLSA-N 1 0 333.388 2.789 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000193876108 535420736 /nfs/dbraw/zinc/42/07/36/535420736.db2.gz IYKMSYWRLMAAHE-FPMFFAJLSA-N 1 0 336.388 2.986 20 5 EFBDRO CCC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000347580346 535437221 /nfs/dbraw/zinc/43/72/21/535437221.db2.gz LPZOVLNJWYVYHB-QGZVFWFLSA-N 1 0 335.448 2.836 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264885445 535501378 /nfs/dbraw/zinc/50/13/78/535501378.db2.gz IUTSWJFVFXVLQY-UHFFFAOYSA-N 1 0 332.404 2.928 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342845616 535549886 /nfs/dbraw/zinc/54/98/86/535549886.db2.gz HMYWSPUDCLCDLK-CYBMUJFWSA-N 1 0 325.384 2.671 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000356915954 535590869 /nfs/dbraw/zinc/59/08/69/535590869.db2.gz JNAQKQADOIVYGT-AWEZNQCLSA-N 1 0 345.447 2.815 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345231522 535610702 /nfs/dbraw/zinc/61/07/02/535610702.db2.gz ZRPJDDASFBYRCA-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO CCC[C@H]([NH2+]CCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000414343223 535702784 /nfs/dbraw/zinc/70/27/84/535702784.db2.gz NBZKGSHSARJAIN-HNNXBMFYSA-N 1 0 328.434 2.850 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193300126 535782052 /nfs/dbraw/zinc/78/20/52/535782052.db2.gz UOTUNZATNUSQRL-XJKSGUPXSA-N 1 0 333.388 2.793 20 5 EFBDRO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000349065148 535853889 /nfs/dbraw/zinc/85/38/89/535853889.db2.gz XVJHGGVMTFNXOE-ZGRWHYIRSA-N 1 0 333.432 2.651 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266498378 535909599 /nfs/dbraw/zinc/90/95/99/535909599.db2.gz WSLIHAAACWMNNJ-GJZGRUSLSA-N 1 0 338.795 2.547 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000342813962 536010857 /nfs/dbraw/zinc/01/08/57/536010857.db2.gz BAQYXZCRAQREQI-UHFFFAOYSA-N 1 0 337.376 2.787 20 5 EFBDRO CCn1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000433098918 536099130 /nfs/dbraw/zinc/09/91/30/536099130.db2.gz YOUWNVVTOALLKH-KRWDZBQOSA-N 1 0 327.384 2.944 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@H]21 ZINC000245711020 536380110 /nfs/dbraw/zinc/38/01/10/536380110.db2.gz PAYRCDYLLCULJE-TZMCWYRMSA-N 1 0 337.807 2.805 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000342782264 536480104 /nfs/dbraw/zinc/48/01/04/536480104.db2.gz PSECKIRCMIODOU-UHFFFAOYSA-N 1 0 343.358 2.690 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000425352477 536488599 /nfs/dbraw/zinc/48/85/99/536488599.db2.gz HRAMXTLGTSMATJ-SMDDNHRTSA-N 1 0 341.358 2.722 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]1CCCC2 ZINC000342143627 536586662 /nfs/dbraw/zinc/58/66/62/536586662.db2.gz VSHFHPIKRRZWLG-GUYCJALGSA-N 1 0 336.363 2.899 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1CCCC2 ZINC000342143625 536587043 /nfs/dbraw/zinc/58/70/43/536587043.db2.gz VSHFHPIKRRZWLG-DYVFJYSZSA-N 1 0 336.363 2.899 20 5 EFBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417387409 536643721 /nfs/dbraw/zinc/64/37/21/536643721.db2.gz ZCEFHZWRMFDFEE-BBRMVZONSA-N 1 0 337.420 2.963 20 5 EFBDRO COC[C@]1(CNC(=O)c2cc3ccccc3c3cccnc23)CCC[NH2+]1 ZINC000357253629 536685326 /nfs/dbraw/zinc/68/53/26/536685326.db2.gz CLAVDOUMMKVHLC-OAQYLSRUSA-N 1 0 349.434 2.886 20 5 EFBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000412017946 536706961 /nfs/dbraw/zinc/70/69/61/536706961.db2.gz APEKXQGVEFEGTD-SNVBAGLBSA-N 1 0 341.795 2.734 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342744358 536743268 /nfs/dbraw/zinc/74/32/68/536743268.db2.gz BIHHJSJYWQGAPO-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1[N+](=O)[O-] ZINC000351970596 536753381 /nfs/dbraw/zinc/75/33/81/536753381.db2.gz FTKNLELUFHKESO-CQSZACIVSA-N 1 0 330.388 2.717 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000327809049 536755007 /nfs/dbraw/zinc/75/50/07/536755007.db2.gz HNPNBBFJVRFVPU-HNNXBMFYSA-N 1 0 343.383 2.813 20 5 EFBDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192517630 536780723 /nfs/dbraw/zinc/78/07/23/536780723.db2.gz BXHCNOMGLFAUEO-UHFFFAOYSA-N 1 0 342.465 2.626 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000342243295 536800329 /nfs/dbraw/zinc/80/03/29/536800329.db2.gz ITKWAUNCTDJRJS-STQMWFEESA-N 1 0 338.404 2.500 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000266644050 536839426 /nfs/dbraw/zinc/83/94/26/536839426.db2.gz VOICUWZZKFBYLC-WMLDXEAASA-N 1 0 336.388 2.755 20 5 EFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347564490 536881488 /nfs/dbraw/zinc/88/14/88/536881488.db2.gz UXPXUIKMKCFDKN-VXGBXAGGSA-N 1 0 344.371 2.676 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414874490 536943708 /nfs/dbraw/zinc/94/37/08/536943708.db2.gz BAZGGTBCCMXBKI-MOPGFXCFSA-N 1 0 341.411 2.839 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2cccc(Cl)c2)cc1 ZINC000754251393 575410656 /nfs/dbraw/zinc/41/06/56/575410656.db2.gz SLWTWEXPZGBLCT-INIZCTEOSA-N 1 0 336.775 2.950 20 5 EFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754361537 575424968 /nfs/dbraw/zinc/42/49/68/575424968.db2.gz IIARBAJHFDRCQG-NHYWBVRUSA-N 1 0 325.384 2.540 20 5 EFBDRO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000754364009 575425095 /nfs/dbraw/zinc/42/50/95/575425095.db2.gz DZIKZIKCFWJUQS-OLZOCXBDSA-N 1 0 337.395 2.828 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000754383824 575428371 /nfs/dbraw/zinc/42/83/71/575428371.db2.gz JUAMNGLIIYIFCX-HZMBPMFUSA-N 1 0 343.811 2.836 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000754568705 575454105 /nfs/dbraw/zinc/45/41/05/575454105.db2.gz ODHPGRCGXUJHQR-MNOVXSKESA-N 1 0 341.795 2.591 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1csc2ccccc21 ZINC000754734308 575480136 /nfs/dbraw/zinc/48/01/36/575480136.db2.gz QWYCNSORNDABMR-YPMHNXCESA-N 1 0 346.412 2.718 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000755666453 575615663 /nfs/dbraw/zinc/61/56/63/575615663.db2.gz ZVIGAGQAZMNOBF-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CCCn1ccnc1CCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759763568 575931113 /nfs/dbraw/zinc/93/11/13/575931113.db2.gz GSIPSLCWNODTLF-KRWDZBQOSA-N 1 0 346.431 2.799 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761055762 576106116 /nfs/dbraw/zinc/10/61/16/576106116.db2.gz MTYIPEUHRSIHRM-JTQLQIEISA-N 1 0 334.294 2.866 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000763407601 576376147 /nfs/dbraw/zinc/37/61/47/576376147.db2.gz NOHVOWQUNQKBFB-GHMZBOCLSA-N 1 0 341.358 2.866 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000763492643 576379124 /nfs/dbraw/zinc/37/91/24/576379124.db2.gz OKYXSWDNNPQAPN-IRXDYDNUSA-N 1 0 333.432 2.636 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000764489066 576464687 /nfs/dbraw/zinc/46/46/87/576464687.db2.gz HYYJNFMAEJODAM-IUODEOHRSA-N 1 0 334.445 2.708 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765289191 577027780 /nfs/dbraw/zinc/02/77/80/577027780.db2.gz MVKIVDOEWIVNJT-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO CCC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765465363 577044279 /nfs/dbraw/zinc/04/42/79/577044279.db2.gz ZZPAJWYHLKIONL-UHFFFAOYSA-N 1 0 328.210 2.889 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765630952 577061143 /nfs/dbraw/zinc/06/11/43/577061143.db2.gz PGSLRUCXXPRAIB-HOTGVXAUSA-N 1 0 347.415 2.736 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ncccn1 ZINC000766518325 577160835 /nfs/dbraw/zinc/16/08/35/577160835.db2.gz RQAHJGGBVZYQDA-CQSZACIVSA-N 1 0 329.404 2.798 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000766585236 577168903 /nfs/dbraw/zinc/16/89/03/577168903.db2.gz WZLARISVCBXWGZ-SHTZXODSSA-N 1 0 333.432 2.704 20 5 EFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766827823 577184046 /nfs/dbraw/zinc/18/40/46/577184046.db2.gz MXVWRQNINCCNPA-HNNXBMFYSA-N 1 0 328.340 2.564 20 5 EFBDRO C[N@H+](CCCn1ccnc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000767757109 577232017 /nfs/dbraw/zinc/23/20/17/577232017.db2.gz VRFATMQNXMGLMF-UHFFFAOYSA-N 1 0 340.387 2.634 20 5 EFBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767816846 577235973 /nfs/dbraw/zinc/23/59/73/577235973.db2.gz BFKUECNWOYONRR-PKOBYXMFSA-N 1 0 344.411 2.901 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499936 577278587 /nfs/dbraw/zinc/27/85/87/577278587.db2.gz NGJMOLCMMNLGGP-RHSMWYFYSA-N 1 0 343.431 2.627 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768711955 577296404 /nfs/dbraw/zinc/29/64/04/577296404.db2.gz KYCWDXUSVCEOCS-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000768706187 577296452 /nfs/dbraw/zinc/29/64/52/577296452.db2.gz JBBQGLDNZDXNAV-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000769717162 577380722 /nfs/dbraw/zinc/38/07/22/577380722.db2.gz KUDMHFLASUHGMR-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000740003438 577416979 /nfs/dbraw/zinc/41/69/79/577416979.db2.gz YDLVDYYQGBZPHE-UHFFFAOYSA-N 1 0 331.763 2.623 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752892 581133527 /nfs/dbraw/zinc/13/35/27/581133527.db2.gz WKODOXSZASYMCP-ZFWWWQNUSA-N 1 0 326.780 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752889 581133567 /nfs/dbraw/zinc/13/35/67/581133567.db2.gz WKODOXSZASYMCP-DZGCQCFKSA-N 1 0 326.780 2.676 20 5 EFBDRO C[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000771387368 581206347 /nfs/dbraw/zinc/20/63/47/581206347.db2.gz JTIKAVWYGPKGGU-GJZGRUSLSA-N 1 0 333.432 2.968 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000771568313 581223354 /nfs/dbraw/zinc/22/33/54/581223354.db2.gz SQCAFIZTVFURMW-HOTGVXAUSA-N 1 0 336.775 2.605 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000772091434 581281514 /nfs/dbraw/zinc/28/15/14/581281514.db2.gz MRAHOBKVVBVUGK-UHFFFAOYSA-N 1 0 342.417 2.824 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000772978265 581384971 /nfs/dbraw/zinc/38/49/71/581384971.db2.gz DZDIGDKQEZFZGV-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO COCC1(C)CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000773268251 581412346 /nfs/dbraw/zinc/41/23/46/581412346.db2.gz KPDAYWINQOJTJF-UHFFFAOYSA-N 1 0 345.403 2.559 20 5 EFBDRO COCC1(C)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000773273133 581413038 /nfs/dbraw/zinc/41/30/38/581413038.db2.gz XGJPSFHVAGCERS-UHFFFAOYSA-N 1 0 332.404 2.959 20 5 EFBDRO C[NH+]1CCC(ONC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000773552789 581444427 /nfs/dbraw/zinc/44/44/27/581444427.db2.gz UIUDTGUYWCLEQY-UHFFFAOYSA-N 1 0 335.385 2.565 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC000773991805 581477409 /nfs/dbraw/zinc/47/74/09/581477409.db2.gz YQXAALSTNZOAOV-UHFFFAOYSA-N 1 0 331.416 2.913 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774167444 581486334 /nfs/dbraw/zinc/48/63/34/581486334.db2.gz CZZSTJGTEVFNBY-XJKSGUPXSA-N 1 0 333.388 2.793 20 5 EFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000774194817 581486894 /nfs/dbraw/zinc/48/68/94/581486894.db2.gz ZJZOBLOAMOYACD-JZXOWHBKSA-N 1 0 344.415 2.772 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCNc2ccccc2)n1 ZINC000774219525 581487416 /nfs/dbraw/zinc/48/74/16/581487416.db2.gz RNZNINOABRIIFZ-JKSUJKDBSA-N 1 0 329.404 2.977 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CSCCS2)n1 ZINC000774220436 581487465 /nfs/dbraw/zinc/48/74/65/581487465.db2.gz YJJSRNOCTAIGKP-YNEHKIRRSA-N 1 0 342.490 2.713 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2ccc(F)cc2)n1 ZINC000774392285 581490740 /nfs/dbraw/zinc/49/07/40/581490740.db2.gz KURBOBFWQXPMTJ-JYJNAYRXSA-N 1 0 348.378 2.737 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774490502 581492648 /nfs/dbraw/zinc/49/26/48/581492648.db2.gz YNKSYFSOTLKDKQ-BBWFWOEESA-N 1 0 344.415 2.907 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774492924 581492729 /nfs/dbraw/zinc/49/27/29/581492729.db2.gz YNKSYFSOTLKDKQ-GVDBMIGSSA-N 1 0 344.415 2.907 20 5 EFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000774619711 581495377 /nfs/dbraw/zinc/49/53/77/581495377.db2.gz QYTMLTPNFWESBU-UKRRQHHQSA-N 1 0 344.415 2.934 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])c1 ZINC000774861049 581502541 /nfs/dbraw/zinc/50/25/41/581502541.db2.gz DWCPRTQRSHMLDT-UHFFFAOYSA-N 1 0 343.339 2.809 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774908234 581503786 /nfs/dbraw/zinc/50/37/86/581503786.db2.gz HVOGWOPUSFNQDF-AWEZNQCLSA-N 1 0 348.403 2.667 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822228928 606485097 /nfs/dbraw/zinc/48/50/97/606485097.db2.gz IXAFJQGUMSRYQB-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000850395924 1250464677 /nfs/dbraw/zinc/46/46/77/1250464677.db2.gz FDOKJIZEQZIEGW-NSHDSACASA-N 1 0 339.823 2.985 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000850730905 1250582869 /nfs/dbraw/zinc/58/28/69/1250582869.db2.gz YLIPPLCSUHENCU-KOLCDFICSA-N 1 0 326.784 2.839 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000922324460 1265548936 /nfs/dbraw/zinc/54/89/36/1265548936.db2.gz VXYJTKMLXMWYGJ-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107276525 1255500924 /nfs/dbraw/zinc/50/09/24/1255500924.db2.gz KWWJPKDAUFRWRS-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922427626 1265997613 /nfs/dbraw/zinc/99/76/13/1265997613.db2.gz CZMRRIQOODMDIK-UHFFFAOYSA-N 1 0 334.323 2.970 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168549393 1257143475 /nfs/dbraw/zinc/14/34/75/1257143475.db2.gz UKQTVSCOMQUUNW-CYBMUJFWSA-N 1 0 341.367 2.966 20 5 EFBDRO Cc1c[nH]cc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997301341 1257339392 /nfs/dbraw/zinc/33/93/92/1257339392.db2.gz DPRFVNIMQQJNNY-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997469988 1257668810 /nfs/dbraw/zinc/66/88/10/1257668810.db2.gz KJAJZHBUIWDUFN-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO O=C(c1ccco1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997476339 1257719911 /nfs/dbraw/zinc/71/99/11/1257719911.db2.gz ITXGCAMDTBRYGY-UHFFFAOYSA-N 1 0 349.412 2.891 20 5 EFBDRO O=C(c1ccc[nH]1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997538720 1257916615 /nfs/dbraw/zinc/91/66/15/1257916615.db2.gz VOLFTTAMSCXGLT-UHFFFAOYSA-N 1 0 348.428 2.626 20 5 EFBDRO O=C(C1CC1)N1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946434348 1258769708 /nfs/dbraw/zinc/76/97/08/1258769708.db2.gz PHDXYEIROWPAII-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713572 1261183331 /nfs/dbraw/zinc/18/33/31/1261183331.db2.gz VXNDTUFZQZTJHO-JTQLQIEISA-N 1 0 328.210 2.671 20 5 EFBDRO Cc1scc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001128118633 1261266872 /nfs/dbraw/zinc/26/68/72/1261266872.db2.gz YEDCUACVAJNZGS-UHFFFAOYSA-N 1 0 339.442 2.854 20 5 EFBDRO CN(C)C(=O)c1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000921792276 1261448044 /nfs/dbraw/zinc/44/80/44/1261448044.db2.gz VIODZGVFJPHSEH-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000923309308 1261459023 /nfs/dbraw/zinc/45/90/23/1261459023.db2.gz JSKDGKALVZINNU-NEPJUHHUSA-N 1 0 335.429 2.625 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923331497 1261506629 /nfs/dbraw/zinc/50/66/29/1261506629.db2.gz MHTOZYDGOXQSMM-VHSXEESVSA-N 1 0 328.210 2.526 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000923346408 1261534105 /nfs/dbraw/zinc/53/41/05/1261534105.db2.gz XLZXYGNJVKIPGW-QMTHXVAHSA-N 1 0 342.237 2.917 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000923357011 1261554908 /nfs/dbraw/zinc/55/49/08/1261554908.db2.gz LSTKWDOPRZYYSI-ZDUSSCGKSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C[NH3+] ZINC000923376441 1261577073 /nfs/dbraw/zinc/57/70/73/1261577073.db2.gz XNMHLSSGXROIFU-PWSUYJOCSA-N 1 0 342.237 2.774 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923393116 1261598463 /nfs/dbraw/zinc/59/84/63/1261598463.db2.gz NZQSBGOUAOBACS-GXSJLCMTSA-N 1 0 328.210 2.669 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164460362 1263077906 /nfs/dbraw/zinc/07/79/06/1263077906.db2.gz BUKRNQZPEQCWDK-RKDXNWHRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000921880604 1263110286 /nfs/dbraw/zinc/11/02/86/1263110286.db2.gz KAUBZFQQUXARTP-OLZOCXBDSA-N 1 0 332.404 2.605 20 5 EFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001168713981 1265002349 /nfs/dbraw/zinc/00/23/49/1265002349.db2.gz PHPLJMLZVYKAEX-UHFFFAOYSA-N 1 0 345.309 2.622 20 5 EFBDRO C[NH+](C)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000733156644 1265103785 /nfs/dbraw/zinc/10/37/85/1265103785.db2.gz HPJMUHGHMXPQNZ-FMIVXFBMSA-N 1 0 331.416 2.941 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000733271989 1265139749 /nfs/dbraw/zinc/13/97/49/1265139749.db2.gz BKEYZWKCKTYPLB-YCABEKBOSA-N 1 0 331.416 2.989 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000733274210 1265140798 /nfs/dbraw/zinc/14/07/98/1265140798.db2.gz VBDNONZFDPTGNQ-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO O=C(Cc1ccco1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003824165 1265270174 /nfs/dbraw/zinc/27/01/74/1265270174.db2.gz NXFJPESTLUWOJU-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000823678445 1265411599 /nfs/dbraw/zinc/41/15/99/1265411599.db2.gz MGANTEPPCDWACL-GOEBONIOSA-N 1 0 333.432 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c(F)c1 ZINC000922708295 1266629390 /nfs/dbraw/zinc/62/93/90/1266629390.db2.gz GLZZIHYJXNKVLM-GFCCVEGCSA-N 1 0 335.301 2.850 20 5 EFBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000734482762 1266987677 /nfs/dbraw/zinc/98/76/77/1266987677.db2.gz UWMZNWSVCKUTBI-UHFFFAOYSA-N 1 0 345.403 2.832 20 5 EFBDRO COC1CCC([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000734477991 1266996284 /nfs/dbraw/zinc/99/62/84/1266996284.db2.gz WYNSRIYVKHXXGU-UHFFFAOYSA-N 1 0 345.403 2.700 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737691179 1268172427 /nfs/dbraw/zinc/17/24/27/1268172427.db2.gz ICSJJRBKMUUCAG-ZDUSSCGKSA-N 1 0 335.379 2.824 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000738145350 1268398369 /nfs/dbraw/zinc/39/83/69/1268398369.db2.gz UFJQVLLKFHKITM-LBPRGKRZSA-N 1 0 336.417 2.855 20 5 EFBDRO CN(C(=O)C(C)(F)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005030717 1268430982 /nfs/dbraw/zinc/43/09/82/1268430982.db2.gz KHLJVOUBJHUOEO-UHFFFAOYSA-N 1 0 341.358 2.673 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000738516273 1268466531 /nfs/dbraw/zinc/46/65/31/1268466531.db2.gz OHHGMVCPTQTJRJ-UHFFFAOYSA-N 1 0 333.413 2.990 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC001086011890 1269512252 /nfs/dbraw/zinc/51/22/52/1269512252.db2.gz WXEPPGFNHSPSNM-AKAXFMLLSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsc1 ZINC001086022563 1269550520 /nfs/dbraw/zinc/55/05/20/1269550520.db2.gz PBWODKSHSSSWAR-JNSHFYNHSA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](c3ccco3)C2)nc1-c1ccncc1 ZINC000742147888 1269901734 /nfs/dbraw/zinc/90/17/34/1269901734.db2.gz PBIDRRLOBUQGBD-CQSZACIVSA-N 1 0 339.355 2.893 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000742393335 1270021558 /nfs/dbraw/zinc/02/15/58/1270021558.db2.gz MCXTWIKCMQERTN-CHWSQXEVSA-N 1 0 346.387 2.590 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005374178 1270236044 /nfs/dbraw/zinc/23/60/44/1270236044.db2.gz CFIBSOZFCHLRSG-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001086171868 1270340368 /nfs/dbraw/zinc/34/03/68/1270340368.db2.gz DGVDEOCFDFQLEV-VTADTHSWSA-N 1 0 349.456 2.687 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000743021293 1270370192 /nfs/dbraw/zinc/37/01/92/1270370192.db2.gz GTQKQOGLURWDPZ-CYBMUJFWSA-N 1 0 336.461 2.955 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000743024109 1270371654 /nfs/dbraw/zinc/37/16/54/1270371654.db2.gz KVXKPAXJUIZPMS-ZDUSSCGKSA-N 1 0 336.461 2.955 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171091695 1278574359 /nfs/dbraw/zinc/57/43/59/1278574359.db2.gz SUNPQZDYHZTVHX-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO COc1ccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc1[N+](=O)[O-] ZINC001171092108 1278586768 /nfs/dbraw/zinc/58/67/68/1278586768.db2.gz YGINSMAOJKESAJ-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001086297397 1270868637 /nfs/dbraw/zinc/86/86/37/1270868637.db2.gz CNAPPWODHLSHMQ-HDJSIYSDSA-N 1 0 345.424 2.955 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC001086295775 1270875987 /nfs/dbraw/zinc/87/59/87/1270875987.db2.gz BRRFQQDNGDGMCS-CZIWCDLHSA-N 1 0 339.395 2.893 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001086303078 1270906980 /nfs/dbraw/zinc/90/69/80/1270906980.db2.gz OKIAEWGPWUIKAT-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086303328 1270909026 /nfs/dbraw/zinc/90/90/26/1270909026.db2.gz AENTWYXEDOIGOV-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000843845079 1278605499 /nfs/dbraw/zinc/60/54/99/1278605499.db2.gz GKNIEMXSLXGBEA-UHFFFAOYSA-N 1 0 335.379 2.743 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086354780 1271129850 /nfs/dbraw/zinc/12/98/50/1271129850.db2.gz YBVXSFZMZUIZRA-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000843842417 1278624306 /nfs/dbraw/zinc/62/43/06/1278624306.db2.gz RDDWATKSHTULTM-LBPRGKRZSA-N 1 0 337.395 2.845 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCC=CO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000780565584 1271470342 /nfs/dbraw/zinc/47/03/42/1271470342.db2.gz BPHUAPIHXCXKAQ-MRXNPFEDSA-N 1 0 328.372 2.778 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000746396408 1272162643 /nfs/dbraw/zinc/16/26/43/1272162643.db2.gz QINQTJGYHXRNPG-AWEZNQCLSA-N 1 0 348.472 2.955 20 5 EFBDRO O=C(CC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034577143 1272320634 /nfs/dbraw/zinc/32/06/34/1272320634.db2.gz ADIMXIYVHGVFAY-HDJSIYSDSA-N 1 0 337.445 2.973 20 5 EFBDRO CCOc1cc(-n2cnc(C)c2CSCC[NH3+])ccc1[N+](=O)[O-] ZINC001168797661 1272405654 /nfs/dbraw/zinc/40/56/54/1272405654.db2.gz MBDWKMJKASWAOL-UHFFFAOYSA-N 1 0 336.417 2.680 20 5 EFBDRO [NH3+]Cc1ccc2ncn(-c3nc(C4CC4)nc(Cl)c3[N+](=O)[O-])c2c1 ZINC001168840366 1272438290 /nfs/dbraw/zinc/43/82/90/1272438290.db2.gz BYNWDFSBMQWQTK-UHFFFAOYSA-N 1 0 344.762 2.713 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168977303 1272547715 /nfs/dbraw/zinc/54/77/15/1272547715.db2.gz JGERTBAKHWDSSI-DFBGVHRSSA-N 1 0 340.807 2.979 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001168976711 1272548050 /nfs/dbraw/zinc/54/80/50/1272548050.db2.gz FPPPZGDYPLHNGK-VXGBXAGGSA-N 1 0 344.333 2.966 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168979689 1272549499 /nfs/dbraw/zinc/54/94/99/1272549499.db2.gz ZJAXLMYLQQCJIC-HONMWMINSA-N 1 0 332.322 2.774 20 5 EFBDRO C[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168956952 1272554950 /nfs/dbraw/zinc/55/49/50/1272554950.db2.gz CYWJTJIKVFWSQN-CBBWQLFWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956955 1272555075 /nfs/dbraw/zinc/55/50/75/1272555075.db2.gz CZXUJMRHWFOHCC-ILXRZTDVSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168958366 1272555594 /nfs/dbraw/zinc/55/55/94/1272555594.db2.gz NEMVVEKKDHMSPV-HUUCEWRRSA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC001168961551 1272557230 /nfs/dbraw/zinc/55/72/30/1272557230.db2.gz IUVPBBBQBIJODC-SWHYSGLUSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)NCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963629 1272558031 /nfs/dbraw/zinc/55/80/31/1272558031.db2.gz PGESYTDFDMYIOM-ZIAGYGMSSA-N 1 0 329.441 2.716 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168974033 1272565409 /nfs/dbraw/zinc/56/54/09/1272565409.db2.gz PZEDZNPURWZZPF-CKEIUWERSA-N 1 0 341.452 2.669 20 5 EFBDRO CN(CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168973968 1272565735 /nfs/dbraw/zinc/56/57/35/1272565735.db2.gz PRSPKRYIOCSKQQ-KGLIPLIRSA-N 1 0 329.441 2.669 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991567 1272568577 /nfs/dbraw/zinc/56/85/77/1272568577.db2.gz HPMFHBGVDVMWEP-NVXWUHKLSA-N 1 0 348.443 2.778 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)C1 ZINC001168997449 1272573081 /nfs/dbraw/zinc/57/30/81/1272573081.db2.gz ZLKVFSURDGYUKI-OIISXLGYSA-N 1 0 337.851 2.949 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)C1 ZINC001168997142 1272573306 /nfs/dbraw/zinc/57/33/06/1272573306.db2.gz XXQLGAWREVOOLM-BMFZPTHFSA-N 1 0 337.851 2.949 20 5 EFBDRO COc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168997185 1272573411 /nfs/dbraw/zinc/57/34/11/1272573411.db2.gz YCRRMFWQIJPGAT-ZBFHGGJFSA-N 1 0 334.416 2.736 20 5 EFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cccnc1[N+](=O)[O-] ZINC001168995846 1272573422 /nfs/dbraw/zinc/57/34/22/1272573422.db2.gz NOUXHMGXBCSGGK-UHFFFAOYSA-N 1 0 331.763 2.873 20 5 EFBDRO [NH3+]Cc1cc(Br)ccc1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997134 1272573826 /nfs/dbraw/zinc/57/38/26/1272573826.db2.gz BSJZPUGQQZXYFS-CABZTGNLSA-N 1 0 328.210 2.765 20 5 EFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997954 1272574554 /nfs/dbraw/zinc/57/45/54/1272574554.db2.gz GTEVYEVTTAHJIN-JKSUJKDBSA-N 1 0 331.416 2.739 20 5 EFBDRO CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997982 1272575321 /nfs/dbraw/zinc/57/53/21/1272575321.db2.gz GXLKMUSNKZCFQU-YHUYYLMFSA-N 1 0 339.480 2.885 20 5 EFBDRO COc1cccc(CC2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001169000033 1272577188 /nfs/dbraw/zinc/57/71/88/1272577188.db2.gz WXPSMWOKBHCEMS-SJORKVTESA-N 1 0 348.443 2.822 20 5 EFBDRO COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169000736 1272577633 /nfs/dbraw/zinc/57/76/33/1272577633.db2.gz AZHGEFCSCNMSMV-APHBMKBZSA-N 1 0 334.416 2.596 20 5 EFBDRO CCN(CC)C(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169005430 1272578185 /nfs/dbraw/zinc/57/81/85/1272578185.db2.gz UHRVAMATMIZVIC-WMZOPIPTSA-N 1 0 347.459 2.746 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001169005319 1272578512 /nfs/dbraw/zinc/57/85/12/1272578512.db2.gz ALLCHVCWCNOYFF-KGLIPLIRSA-N 1 0 326.437 2.924 20 5 EFBDRO [NH3+]Cc1cccc(Br)c1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004161 1272579242 /nfs/dbraw/zinc/57/92/42/1272579242.db2.gz QICSKZVHQOSHQD-ONGXEEELSA-N 1 0 328.210 2.765 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006211 1272580235 /nfs/dbraw/zinc/58/02/35/1272580235.db2.gz WPMSWKKMKAKCPD-JJRVBVJISA-N 1 0 341.452 2.811 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006666 1272581219 /nfs/dbraw/zinc/58/12/19/1272581219.db2.gz IWNRWTUVHKPIDC-IKGGRYGDSA-N 1 0 332.400 2.640 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006671 1272581709 /nfs/dbraw/zinc/58/17/09/1272581709.db2.gz IWNRWTUVHKPIDC-ZACQAIPSSA-N 1 0 332.400 2.640 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001169009341 1272583872 /nfs/dbraw/zinc/58/38/72/1272583872.db2.gz VTNXXTQXYUIQEC-WYTIROKMSA-N 1 0 329.444 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014018 1272584760 /nfs/dbraw/zinc/58/47/60/1272584760.db2.gz XYBOIXNFJIWCFU-ILXRZTDVSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011349 1272585043 /nfs/dbraw/zinc/58/50/43/1272585043.db2.gz KABSSAJQINCGNP-UONOGXRCSA-N 1 0 339.436 2.517 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169012910 1272585305 /nfs/dbraw/zinc/58/53/05/1272585305.db2.gz SMQFMRJTCYXZEM-LXTVHRRPSA-N 1 0 341.452 2.762 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011108 1272585337 /nfs/dbraw/zinc/58/53/37/1272585337.db2.gz IKOUXZVCGILBED-XGUBFFRZSA-N 1 0 339.436 2.516 20 5 EFBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169011684 1272585782 /nfs/dbraw/zinc/58/57/82/1272585782.db2.gz MDFYRLUYAJMKMX-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988399 1272588593 /nfs/dbraw/zinc/58/85/93/1272588593.db2.gz RVVUKQKNTDYFTI-MCIONIFRSA-N 1 0 329.441 2.571 20 5 EFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987516 1272588696 /nfs/dbraw/zinc/58/86/96/1272588696.db2.gz JIMOMBRMYXSMKH-GZBLMMOJSA-N 1 0 339.436 2.562 20 5 EFBDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987868 1272588738 /nfs/dbraw/zinc/58/87/38/1272588738.db2.gz KZRGSBPYENKKDL-CBBWQLFWSA-N 1 0 341.452 2.809 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCOCC2)C1 ZINC001168987725 1272588797 /nfs/dbraw/zinc/58/87/97/1272588797.db2.gz JUQZOQRQETXSGJ-GOEBONIOSA-N 1 0 334.416 2.779 20 5 EFBDRO CC[C@H](CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168988586 1272590247 /nfs/dbraw/zinc/59/02/47/1272590247.db2.gz SSAJOEWIWDMTGE-BFHYXJOUSA-N 1 0 329.441 2.715 20 5 EFBDRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990642 1272591092 /nfs/dbraw/zinc/59/10/92/1272591092.db2.gz CXIJGTYADGNPES-FUHWJXTLSA-N 1 0 345.443 2.574 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169028951 1272594610 /nfs/dbraw/zinc/59/46/10/1272594610.db2.gz SYGPOPVPZKYXJO-SOUVJXGZSA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(Br)cc3C2)C1 ZINC001169034519 1272596763 /nfs/dbraw/zinc/59/67/63/1272596763.db2.gz GYCFLPMZCZGWAP-MFKMUULPSA-N 1 0 340.221 2.648 20 5 EFBDRO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034540 1272596773 /nfs/dbraw/zinc/59/67/73/1272596773.db2.gz HLIOXBPYURRMTI-SOUVJXGZSA-N 1 0 341.452 2.621 20 5 EFBDRO CCOc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169035572 1272599812 /nfs/dbraw/zinc/59/98/12/1272599812.db2.gz CEIFRBPAGXIVDF-NVXWUHKLSA-N 1 0 333.432 2.653 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169037558 1272602789 /nfs/dbraw/zinc/60/27/89/1272602789.db2.gz SMIBNSRVQDYCMB-RDJZCZTQSA-N 1 0 337.851 2.903 20 5 EFBDRO O=C1Nc2ccccc2C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169037165 1272603022 /nfs/dbraw/zinc/60/30/22/1272603022.db2.gz QYXSSXDODALVCG-UONOGXRCSA-N 1 0 344.415 2.558 20 5 EFBDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036981 1272603446 /nfs/dbraw/zinc/60/34/46/1272603446.db2.gz HTJRMFYOHCZOPC-NWANDNLSSA-N 1 0 334.416 2.721 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169038126 1272605714 /nfs/dbraw/zinc/60/57/14/1272605714.db2.gz VWLYRGKNUBBRNH-KBPBESRZSA-N 1 0 341.452 2.763 20 5 EFBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037997 1272605834 /nfs/dbraw/zinc/60/58/34/1272605834.db2.gz UUZBCMAFGZRDGX-HIFRSBDPSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001169037688 1272606094 /nfs/dbraw/zinc/60/60/94/1272606094.db2.gz SVSWPCZYTRGKJB-GMTAPVOTSA-N 1 0 348.325 2.713 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039460 1272608278 /nfs/dbraw/zinc/60/82/78/1272608278.db2.gz POXVFRYSEOITBZ-CBBWQLFWSA-N 1 0 341.452 2.667 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039459 1272608314 /nfs/dbraw/zinc/60/83/14/1272608314.db2.gz POXVFRYSEOITBZ-APIJFGDWSA-N 1 0 341.452 2.667 20 5 EFBDRO CN(C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169040003 1272609115 /nfs/dbraw/zinc/60/91/15/1272609115.db2.gz WTXSILUTTBJHPK-KKUMJFAQSA-N 1 0 341.452 2.621 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)OCCc2ccccc23)C1 ZINC001169040081 1272610880 /nfs/dbraw/zinc/61/08/80/1272610880.db2.gz XPNIHYZTJKPJRA-WBVHZDCISA-N 1 0 330.428 2.996 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041589 1272612750 /nfs/dbraw/zinc/61/27/50/1272612750.db2.gz BIYUTRMXKOETHT-KBUPBQIOSA-N 1 0 341.452 2.809 20 5 EFBDRO O=C1c2ccccc2CN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169041651 1272613058 /nfs/dbraw/zinc/61/30/58/1272613058.db2.gz BTUVIZGPEYRVLN-RHSMWYFYSA-N 1 0 343.427 2.552 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001169017641 1272616584 /nfs/dbraw/zinc/61/65/84/1272616584.db2.gz AYBNCONECCRKNL-CIRFHOKZSA-N 1 0 333.432 2.682 20 5 EFBDRO C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169045507 1272621658 /nfs/dbraw/zinc/62/16/58/1272621658.db2.gz JKEQMSVTGUNESU-KFWWJZLASA-N 1 0 341.452 2.763 20 5 EFBDRO C[N@H+](Cc1cncc(Br)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025327 1272622713 /nfs/dbraw/zinc/62/27/13/1272622713.db2.gz YQBDYPCTVANBHS-ZWNOBZJWSA-N 1 0 328.210 2.721 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169047452 1272624845 /nfs/dbraw/zinc/62/48/45/1272624845.db2.gz RALIELAQTUMDBP-HUUCEWRRSA-N 1 0 341.452 2.765 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169047453 1272625858 /nfs/dbraw/zinc/62/58/58/1272625858.db2.gz RALIELAQTUMDBP-LSDHHAIUSA-N 1 0 341.452 2.765 20 5 EFBDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050436 1272629707 /nfs/dbraw/zinc/62/97/07/1272629707.db2.gz ZQOMYXMNKYKEON-BZUAXINKSA-N 1 0 344.452 2.502 20 5 EFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccnc1[N+](=O)[O-] ZINC001169173326 1272738079 /nfs/dbraw/zinc/73/80/79/1272738079.db2.gz DPFCCQSJKCNTJK-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242643 1272765819 /nfs/dbraw/zinc/76/58/19/1272765819.db2.gz QXQZIPCATLZGEP-UHFFFAOYSA-N 1 0 329.404 2.822 20 5 EFBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001169562368 1273006998 /nfs/dbraw/zinc/00/69/98/1273006998.db2.gz CGANDFPJPOZQHW-CQSZACIVSA-N 1 0 327.388 2.914 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCc3ccccc3[C@@H]1O)C[NH2+]C2 ZINC001169619179 1273060361 /nfs/dbraw/zinc/06/03/61/1273060361.db2.gz HWQFSNRIRFWSAG-QAPCUYQASA-N 1 0 325.368 2.658 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169683600 1273089540 /nfs/dbraw/zinc/08/95/40/1273089540.db2.gz AZCCWEHKTDLZCS-GFCCVEGCSA-N 1 0 332.335 2.607 20 5 EFBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001169717803 1273118496 /nfs/dbraw/zinc/11/84/96/1273118496.db2.gz LMNFQJBZDPOVFY-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO O=[N+]([O-])c1c(Br)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169802703 1273161373 /nfs/dbraw/zinc/16/13/73/1273161373.db2.gz OUMXUMARRNOAFO-UHFFFAOYSA-N 1 0 341.209 2.650 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000804349660 1273427640 /nfs/dbraw/zinc/42/76/40/1273427640.db2.gz PRIHIBYFCAJUPW-INIZCTEOSA-N 1 0 347.415 2.853 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000704536298 1273444195 /nfs/dbraw/zinc/44/41/95/1273444195.db2.gz MOFOZEJUYLMOJN-CQSZACIVSA-N 1 0 342.237 2.787 20 5 EFBDRO CC(C)(CC(F)F)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129162933 1274022110 /nfs/dbraw/zinc/02/21/10/1274022110.db2.gz NKVLTXCUSADORN-UHFFFAOYSA-N 1 0 335.376 2.544 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549830 1278840597 /nfs/dbraw/zinc/84/05/97/1278840597.db2.gz GNYMAUAVQNARHE-UHFFFAOYSA-N 1 0 341.323 2.998 20 5 EFBDRO COC[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769398912 1274303266 /nfs/dbraw/zinc/30/32/66/1274303266.db2.gz NDCBULNIGOATRY-SNVBAGLBSA-N 1 0 329.194 2.826 20 5 EFBDRO Cc1cc(NCCCN(C)C(=O)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001109471129 1274322527 /nfs/dbraw/zinc/32/25/27/1274322527.db2.gz LAXJBRNNNGEDIF-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001035704387 1274381405 /nfs/dbraw/zinc/38/14/05/1274381405.db2.gz LWLQWIRFTBLOSJ-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001109524956 1274383509 /nfs/dbraw/zinc/38/35/09/1274383509.db2.gz SSXZEKCMGUMYRZ-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)c2c1 ZINC001170023681 1274688115 /nfs/dbraw/zinc/68/81/15/1274688115.db2.gz LGTGXGLUMLOQEP-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCC[NH+]1CCCC1 ZINC000804178121 1275204188 /nfs/dbraw/zinc/20/41/88/1275204188.db2.gz DRTUIKZLUKYAOO-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC001170052799 1275258843 /nfs/dbraw/zinc/25/88/43/1275258843.db2.gz OKDHTMNGUUZWDK-UHFFFAOYSA-N 1 0 333.845 2.714 20 5 EFBDRO CC(C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000786151720 1275312245 /nfs/dbraw/zinc/31/22/45/1275312245.db2.gz UIIZAMWMYIJQHP-UHFFFAOYSA-N 1 0 346.387 2.940 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000786832881 1275537788 /nfs/dbraw/zinc/53/77/88/1275537788.db2.gz SNJCZYJRKIRPIZ-WBVHZDCISA-N 1 0 328.368 2.612 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000786812968 1275550623 /nfs/dbraw/zinc/55/06/23/1275550623.db2.gz MXDWJVDQUKRVHM-GLNPCMGASA-N 1 0 333.388 2.819 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000786815179 1275552342 /nfs/dbraw/zinc/55/23/42/1275552342.db2.gz ATKZCHFZNXZGLM-ZDUSSCGKSA-N 1 0 340.383 2.975 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000786820347 1275553657 /nfs/dbraw/zinc/55/36/57/1275553657.db2.gz HLQIXZGANZNFTM-DZXKJOIRSA-N 1 0 348.399 2.510 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NCC2C[NH+](C)C2)n1 ZINC001170250090 1278969124 /nfs/dbraw/zinc/96/91/24/1278969124.db2.gz XPRFZHJBLYYSDG-UHFFFAOYSA-N 1 0 331.829 2.514 20 5 EFBDRO CCn1cc(C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000844422604 1278971219 /nfs/dbraw/zinc/97/12/19/1278971219.db2.gz HQKDQWBVNVRWIE-KRWDZBQOSA-N 1 0 332.404 2.755 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3nonc3c2)c([N+](=O)[O-])c1 ZINC001170295249 1278978907 /nfs/dbraw/zinc/97/89/07/1278978907.db2.gz BWNMKGOPCFCOQV-LLVKDONJSA-N 1 0 342.355 2.860 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294785 1278979139 /nfs/dbraw/zinc/97/91/39/1278979139.db2.gz RTYOPBSLVJQXJD-FZKQIMNGSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170299009 1278982317 /nfs/dbraw/zinc/98/23/17/1278982317.db2.gz PMZGGUPLCVOCAC-SGTLLEGYSA-N 1 0 348.374 2.997 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787689748 1275861197 /nfs/dbraw/zinc/86/11/97/1275861197.db2.gz UOTYYBWPUQDHBH-LJQANCHMSA-N 1 0 346.475 2.980 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170304517 1278989899 /nfs/dbraw/zinc/98/98/99/1278989899.db2.gz DDSXPFFAODDSIG-ZDUSSCGKSA-N 1 0 333.432 2.751 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncc(F)cc2F)c([N+](=O)[O-])c1 ZINC001170306186 1279005323 /nfs/dbraw/zinc/00/53/23/1279005323.db2.gz RGULQMDXJPJIIT-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccsc2)n1 ZINC000788435727 1276164866 /nfs/dbraw/zinc/16/48/66/1276164866.db2.gz HNQNCIDCRCFNQK-MGPQQGTHSA-N 1 0 336.417 2.660 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(CC3CC3)cn2)c([N+](=O)[O-])c1 ZINC001170325218 1279016007 /nfs/dbraw/zinc/01/60/07/1279016007.db2.gz STVYVEFPKHKXMA-ZDUSSCGKSA-N 1 0 344.415 2.931 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncn2CC2CC2)c([N+](=O)[O-])c1 ZINC001170325245 1279016270 /nfs/dbraw/zinc/01/62/70/1279016270.db2.gz SWTSQNJCYRDITA-CYBMUJFWSA-N 1 0 344.415 2.931 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC2(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170323703 1279016352 /nfs/dbraw/zinc/01/63/52/1279016352.db2.gz LNVFRVMJMNAVGK-ZDUSSCGKSA-N 1 0 342.399 2.646 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000844478507 1279015382 /nfs/dbraw/zinc/01/53/82/1279015382.db2.gz PBIVARHFDQMBJO-UONOGXRCSA-N 1 0 338.791 2.879 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncn3ccccc23)c([N+](=O)[O-])c1 ZINC001170325442 1279016648 /nfs/dbraw/zinc/01/66/48/1279016648.db2.gz VJSRLHWCGRRLBV-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001170327457 1279018565 /nfs/dbraw/zinc/01/85/65/1279018565.db2.gz ROLBDVKWFLNXGJ-CQSZACIVSA-N 1 0 344.411 2.859 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170328052 1279019618 /nfs/dbraw/zinc/01/96/18/1279019618.db2.gz UIHKAFMPJMDRKX-PXAZEXFGSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3nccn3c2)c([N+](=O)[O-])c1 ZINC001170329255 1279019812 /nfs/dbraw/zinc/01/98/12/1279019812.db2.gz YLACHUKJBQXTIU-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO CCc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000788817425 1276335541 /nfs/dbraw/zinc/33/55/41/1276335541.db2.gz ZXHVAAJNVIPFTB-ROUUACIJSA-N 1 0 330.384 2.514 20 5 EFBDRO CC(C)[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000817909672 1276370912 /nfs/dbraw/zinc/37/09/12/1276370912.db2.gz ZFJQGSNNUGKBFL-IINYFYTJSA-N 1 0 327.812 2.826 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001170332342 1279022317 /nfs/dbraw/zinc/02/23/17/1279022317.db2.gz DISZUWYYSPJUIT-PHZGNYQRSA-N 1 0 339.399 2.992 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]([N@H+](C)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170354957 1279033854 /nfs/dbraw/zinc/03/38/54/1279033854.db2.gz SMBGOCVFWPGVKC-BBRMVZONSA-N 1 0 333.432 2.703 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCc3oc(C)nc3C2)c([N+](=O)[O-])c1 ZINC001170355520 1279034230 /nfs/dbraw/zinc/03/42/30/1279034230.db2.gz IKAKQVNUMHWIPD-LLVKDONJSA-N 1 0 331.372 2.889 20 5 EFBDRO CCOC(=O)CN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355257 1279034591 /nfs/dbraw/zinc/03/45/91/1279034591.db2.gz YJOHCYTXOGGYMD-GFCCVEGCSA-N 1 0 336.388 2.562 20 5 EFBDRO COC(=O)CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170354967 1279034836 /nfs/dbraw/zinc/03/48/36/1279034836.db2.gz SRGGCUCJRMVIFW-GFCCVEGCSA-N 1 0 336.388 2.562 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000818175844 1276478709 /nfs/dbraw/zinc/47/87/09/1276478709.db2.gz CNTIZJSZJHSVHD-KRWDZBQOSA-N 1 0 335.379 2.600 20 5 EFBDRO CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001170894162 1276485382 /nfs/dbraw/zinc/48/53/82/1276485382.db2.gz NKZSTOLGRUXJME-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145401 1276491936 /nfs/dbraw/zinc/49/19/36/1276491936.db2.gz FXOXPIYOZYCWOH-UONOGXRCSA-N 1 0 325.453 2.591 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522406 1276525161 /nfs/dbraw/zinc/52/51/61/1276525161.db2.gz SRXLRIAKOUPYKP-ZANVPECISA-N 1 0 343.786 2.564 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000818613757 1276538865 /nfs/dbraw/zinc/53/88/65/1276538865.db2.gz AJJBYWOROZYYMB-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000818953457 1276556583 /nfs/dbraw/zinc/55/65/83/1276556583.db2.gz HLFUYZVPNWKPFA-DNVCBOLYSA-N 1 0 341.411 2.744 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000818953456 1276556706 /nfs/dbraw/zinc/55/67/06/1276556706.db2.gz HLFUYZVPNWKPFA-BEFAXECRSA-N 1 0 341.411 2.744 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000818953459 1276556911 /nfs/dbraw/zinc/55/69/11/1276556911.db2.gz HLFUYZVPNWKPFA-KXBFYZLASA-N 1 0 341.411 2.744 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000818978401 1276561713 /nfs/dbraw/zinc/56/17/13/1276561713.db2.gz JKVYZTZMHUBBER-QGZVFWFLSA-N 1 0 340.383 2.727 20 5 EFBDRO CCN(CC)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818980909 1276562102 /nfs/dbraw/zinc/56/21/02/1276562102.db2.gz PDHUMLBEIPHAMV-IRXDYDNUSA-N 1 0 347.415 2.894 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000818981779 1276562126 /nfs/dbraw/zinc/56/21/26/1276562126.db2.gz YYMLIZAEZNJWQW-OALUTQOASA-N 1 0 343.427 2.829 20 5 EFBDRO CCCCOc1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975758 1276576102 /nfs/dbraw/zinc/57/61/02/1276576102.db2.gz VIGARJYGIYFIEC-KRWDZBQOSA-N 1 0 345.399 2.992 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000819046295 1276579364 /nfs/dbraw/zinc/57/93/64/1276579364.db2.gz JZOCTKCKSBVHLB-DNVCBOLYSA-N 1 0 343.427 2.738 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000819046816 1276579596 /nfs/dbraw/zinc/57/95/96/1276579596.db2.gz UDRVXJRKMSEQNR-INIZCTEOSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000819048652 1276581029 /nfs/dbraw/zinc/58/10/29/1276581029.db2.gz OEPNFPFMYHBXNH-CVEARBPZSA-N 1 0 332.331 2.881 20 5 EFBDRO COc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000819014034 1276589819 /nfs/dbraw/zinc/58/98/19/1276589819.db2.gz KBIPFPUYUFAQRS-INIZCTEOSA-N 1 0 334.347 2.608 20 5 EFBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000819097907 1276605383 /nfs/dbraw/zinc/60/53/83/1276605383.db2.gz QTIFMMJXTQHDIB-KRWDZBQOSA-N 1 0 330.384 2.778 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000819134931 1276623034 /nfs/dbraw/zinc/62/30/34/1276623034.db2.gz PSRHVSHEOISANH-SFHVURJKSA-N 1 0 333.432 2.625 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819111239 1276634106 /nfs/dbraw/zinc/63/41/06/1276634106.db2.gz MYZCAARDXIKGDG-PXAZEXFGSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819109730 1276634907 /nfs/dbraw/zinc/63/49/07/1276634907.db2.gz ZVPCSOADTDQBRJ-KBXCAEBGSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000819113057 1276635295 /nfs/dbraw/zinc/63/52/95/1276635295.db2.gz KXRIFSVPYYHLAA-YVEFUNNKSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819109733 1276635301 /nfs/dbraw/zinc/63/53/01/1276635301.db2.gz ZVPCSOADTDQBRJ-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819112679 1276635601 /nfs/dbraw/zinc/63/56/01/1276635601.db2.gz HMLYNOWTFFUZEN-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116102 1276637379 /nfs/dbraw/zinc/63/73/79/1276637379.db2.gz NLVMRNAJLOAEKS-CJNGLKHVSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116104 1276637730 /nfs/dbraw/zinc/63/77/30/1276637730.db2.gz NLVMRNAJLOAEKS-XJKSGUPXSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116677 1276638379 /nfs/dbraw/zinc/63/83/79/1276638379.db2.gz XEFYJAGRGDVVRC-XJKSGUPXSA-N 1 0 346.383 2.694 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746800418 1276646032 /nfs/dbraw/zinc/64/60/32/1276646032.db2.gz ILKQBMSHPJIMTH-CYBMUJFWSA-N 1 0 347.337 2.930 20 5 EFBDRO CC(C)Oc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819186115 1276665004 /nfs/dbraw/zinc/66/50/04/1276665004.db2.gz PISDQUMOPOWPOO-MRXNPFEDSA-N 1 0 331.372 2.600 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC001134806975 1287232868 /nfs/dbraw/zinc/23/28/68/1287232868.db2.gz VGSKWZQJKMOARO-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO CCCCn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000819204826 1276677502 /nfs/dbraw/zinc/67/75/02/1276677502.db2.gz FNGVBRVIGRCLDM-QGZVFWFLSA-N 1 0 332.404 2.723 20 5 EFBDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819360663 1276728313 /nfs/dbraw/zinc/72/83/13/1276728313.db2.gz JXBCUUOMARCDIW-KPZWWZAWSA-N 1 0 348.374 2.997 20 5 EFBDRO CC[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819339262 1276734489 /nfs/dbraw/zinc/73/44/89/1276734489.db2.gz NCSBHCOBBGFMKA-WCQYABFASA-N 1 0 336.310 2.575 20 5 EFBDRO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789454547 1276738245 /nfs/dbraw/zinc/73/82/45/1276738245.db2.gz AWZKMNWDVAJHDQ-OALUTQOASA-N 1 0 344.411 2.818 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000819348515 1276738572 /nfs/dbraw/zinc/73/85/72/1276738572.db2.gz HIAYCCJMLUNOHK-CGTJXYLNSA-N 1 0 343.383 2.533 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000819323275 1276747065 /nfs/dbraw/zinc/74/70/65/1276747065.db2.gz YTGWGPGDIROBJR-WBVHZDCISA-N 1 0 348.424 2.767 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000789531031 1276787284 /nfs/dbraw/zinc/78/72/84/1276787284.db2.gz RCHGNJIRXZJEJD-UHFFFAOYSA-N 1 0 330.388 2.795 20 5 EFBDRO CCN(CCC[NH+](C)C)c1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000819931966 1276934342 /nfs/dbraw/zinc/93/43/42/1276934342.db2.gz YIOBYWPTIBKLMI-UHFFFAOYSA-N 1 0 343.811 2.813 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000711447888 1277155031 /nfs/dbraw/zinc/15/50/31/1277155031.db2.gz MXXQAVMIKVQOLH-OKILXGFUSA-N 1 0 335.404 2.988 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC001170307202 1279030414 /nfs/dbraw/zinc/03/04/14/1279030414.db2.gz FDINXXPNWMLRFM-LBPRGKRZSA-N 1 0 330.388 2.547 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)nn2)c([N+](=O)[O-])c1 ZINC001170306595 1279028631 /nfs/dbraw/zinc/02/86/31/1279028631.db2.gz YHQPIQKNWMLDIS-SNVBAGLBSA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170306613 1279028718 /nfs/dbraw/zinc/02/87/18/1279028718.db2.gz YOIVCMRWGUDLGA-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874911 1277354997 /nfs/dbraw/zinc/35/49/97/1277354997.db2.gz VASLPZIQHSDXLY-KKXDTOCCSA-N 1 0 343.427 2.641 20 5 EFBDRO CCN(CCC[NH+](C)C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000790273731 1277412854 /nfs/dbraw/zinc/41/28/54/1277412854.db2.gz BNPLBFGICVEBES-UHFFFAOYSA-N 1 0 343.811 2.813 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CC[NH2+]CC1 ZINC000923279990 1277471512 /nfs/dbraw/zinc/47/15/12/1277471512.db2.gz VXZSYVAXPJRHPR-UHFFFAOYSA-N 1 0 328.210 2.541 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923289393 1277503568 /nfs/dbraw/zinc/50/35/68/1277503568.db2.gz PTUXILSYSDGMEC-MNOVXSKESA-N 1 0 342.237 2.917 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923295412 1277523749 /nfs/dbraw/zinc/52/37/49/1277523749.db2.gz WHFIWMKCXZJRCB-GFCCVEGCSA-N 1 0 328.210 2.541 20 5 EFBDRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000821400741 1277536414 /nfs/dbraw/zinc/53/64/14/1277536414.db2.gz IENBEUIJEORPRX-DLBZAZTESA-N 1 0 331.416 2.641 20 5 EFBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)O ZINC000790701978 1277734430 /nfs/dbraw/zinc/73/44/30/1277734430.db2.gz PAQYPDXJSHVFGT-KRWDZBQOSA-N 1 0 335.448 2.949 20 5 EFBDRO CC[NH+](CC)CCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790739548 1277754869 /nfs/dbraw/zinc/75/48/69/1277754869.db2.gz DYENSOFDHZIFEN-UHFFFAOYSA-N 1 0 332.759 2.815 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170345429 1279049225 /nfs/dbraw/zinc/04/92/25/1279049225.db2.gz KJQTYYZKFLOYCP-AWEZNQCLSA-N 1 0 333.432 2.562 20 5 EFBDRO CCN1CCC([N@H+](C)[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170345850 1279051899 /nfs/dbraw/zinc/05/18/99/1279051899.db2.gz MZVUGNKBUSLOSU-CQSZACIVSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170348604 1279055160 /nfs/dbraw/zinc/05/51/60/1279055160.db2.gz YZTXQKZABWRJLR-YEWWUXTCSA-N 1 0 333.432 2.560 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170348602 1279055306 /nfs/dbraw/zinc/05/53/06/1279055306.db2.gz YZTXQKZABWRJLR-JOQOYGCGSA-N 1 0 333.432 2.560 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844642211 1279161952 /nfs/dbraw/zinc/16/19/52/1279161952.db2.gz HYTYJSLTKCXDSS-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792929825 1279282796 /nfs/dbraw/zinc/28/27/96/1279282796.db2.gz ZINLCGATZSJRNG-KRWDZBQOSA-N 1 0 330.388 2.539 20 5 EFBDRO [NH3+]CCC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000844910410 1279359592 /nfs/dbraw/zinc/35/95/92/1279359592.db2.gz HSIOJANTQYPQLQ-UHFFFAOYSA-N 1 0 342.237 2.918 20 5 EFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000793216007 1279446323 /nfs/dbraw/zinc/44/63/23/1279446323.db2.gz SKERFZMIDJQHMB-JTQLQIEISA-N 1 0 327.356 2.737 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1Oc1ccccc1 ZINC000793551568 1279741479 /nfs/dbraw/zinc/74/14/79/1279741479.db2.gz UVXHTJDVIFRLTQ-CVEARBPZSA-N 1 0 330.388 2.627 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1Oc1ccccc1 ZINC000793551574 1279742509 /nfs/dbraw/zinc/74/25/09/1279742509.db2.gz UVXHTJDVIFRLTQ-HZPDHXFCSA-N 1 0 330.388 2.627 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000845737459 1279809388 /nfs/dbraw/zinc/80/93/88/1279809388.db2.gz HSKCCBCNNHSXHW-ZDUSSCGKSA-N 1 0 335.404 2.813 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)C1 ZINC000793748981 1279862334 /nfs/dbraw/zinc/86/23/34/1279862334.db2.gz WGLNHEGVFMHIMI-INIZCTEOSA-N 1 0 348.428 2.857 20 5 EFBDRO CCCNC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872024317 1287403573 /nfs/dbraw/zinc/40/35/73/1287403573.db2.gz QBYHMWOSANYLDS-LLVKDONJSA-N 1 0 325.434 2.884 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001129400677 1280187034 /nfs/dbraw/zinc/18/70/34/1280187034.db2.gz DVYGZGKCTLVQPM-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(=O)N(C)C ZINC000872027277 1287404904 /nfs/dbraw/zinc/40/49/04/1287404904.db2.gz ISRUFVYVALZSAK-LLVKDONJSA-N 1 0 325.434 2.836 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000872040565 1287409642 /nfs/dbraw/zinc/40/96/42/1287409642.db2.gz MJFQIWXOOBYQBY-HZMBPMFUSA-N 1 0 328.459 2.835 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000872031986 1287406452 /nfs/dbraw/zinc/40/64/52/1287406452.db2.gz OSCRHGCAHIGKFY-CMPLNLGQSA-N 1 0 347.444 2.882 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000872045351 1287410867 /nfs/dbraw/zinc/41/08/67/1287410867.db2.gz ZSZPYNCAPCGFNQ-QWRGUYRKSA-N 1 0 346.474 2.791 20 5 EFBDRO Nc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000804603024 1280308412 /nfs/dbraw/zinc/30/84/12/1280308412.db2.gz KQXXLFWIRICEGY-UHFFFAOYSA-N 1 0 348.447 2.506 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1Cl ZINC000815290626 1287413802 /nfs/dbraw/zinc/41/38/02/1287413802.db2.gz LPHSKYZRCCHSFL-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO O=C(Cc1cccc(F)c1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175386477 1287415929 /nfs/dbraw/zinc/41/59/29/1287415929.db2.gz YJWGHEUSJVMDAQ-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000747209964 1280354429 /nfs/dbraw/zinc/35/44/29/1280354429.db2.gz OVVZUZGYWJUJJH-KRWDZBQOSA-N 1 0 349.431 2.797 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000872066088 1287417187 /nfs/dbraw/zinc/41/71/87/1287417187.db2.gz DMMQBQGLMUOVHW-PGUXBMHVSA-N 1 0 326.418 2.507 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000872068873 1287418307 /nfs/dbraw/zinc/41/83/07/1287418307.db2.gz JRBCWNIUFZRUQB-YNEHKIRRSA-N 1 0 340.445 2.612 20 5 EFBDRO O=C(CCCc1ccsc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129967580 1280382703 /nfs/dbraw/zinc/38/27/03/1280382703.db2.gz JPQLCDTUZVILPR-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000872068872 1287418877 /nfs/dbraw/zinc/41/88/77/1287418877.db2.gz JRBCWNIUFZRUQB-XQQFMLRXSA-N 1 0 340.445 2.612 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000872080243 1287422043 /nfs/dbraw/zinc/42/20/43/1287422043.db2.gz OYAVOZNMZDUMEW-LLVKDONJSA-N 1 0 346.474 2.792 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000846923353 1280620426 /nfs/dbraw/zinc/62/04/26/1280620426.db2.gz OLXHXWGLFPBHAA-SFHVURJKSA-N 1 0 325.368 2.813 20 5 EFBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000805820879 1280802190 /nfs/dbraw/zinc/80/21/90/1280802190.db2.gz ZTBJORPKYKIQJQ-UHFFFAOYSA-N 1 0 339.367 2.562 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2sccc2[nH]1 ZINC001146600159 1280947658 /nfs/dbraw/zinc/94/76/58/1280947658.db2.gz RUBHITKJVWSVDV-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000822497930 1289016256 /nfs/dbraw/zinc/01/62/56/1289016256.db2.gz ONWHFSMZDCXINS-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147015314 1281088778 /nfs/dbraw/zinc/08/87/78/1281088778.db2.gz MVFVQDPUDRJZOO-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000806589247 1281111119 /nfs/dbraw/zinc/11/11/19/1281111119.db2.gz LTYOCPNHTYFNHC-SWLSCSKDSA-N 1 0 334.445 2.850 20 5 EFBDRO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147490520 1281196559 /nfs/dbraw/zinc/19/65/59/1281196559.db2.gz MNKPDKKJBLMASU-XNTDXEJSSA-N 1 0 343.427 2.985 20 5 EFBDRO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147490519 1281196670 /nfs/dbraw/zinc/19/66/70/1281196670.db2.gz MNKPDKKJBLMASU-GDNBJRDFSA-N 1 0 343.427 2.985 20 5 EFBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001130883842 1281258993 /nfs/dbraw/zinc/25/89/93/1281258993.db2.gz VNXYWQDQTRNICS-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CCCc1occc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001147748094 1281262924 /nfs/dbraw/zinc/26/29/24/1281262924.db2.gz HQUZHHUUBGYWCZ-UHFFFAOYSA-N 1 0 337.401 2.721 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC001130930860 1281304886 /nfs/dbraw/zinc/30/48/86/1281304886.db2.gz BRGGKHXELMUPCB-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO Cc1oc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001131043841 1281415230 /nfs/dbraw/zinc/41/52/30/1281415230.db2.gz SYABFSXZCKFFOI-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3ccc(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 ZINC001171320852 1281429832 /nfs/dbraw/zinc/42/98/32/1281429832.db2.gz IDNIBZMGIWWHPZ-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO Cc1ccc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001148961819 1281822487 /nfs/dbraw/zinc/82/24/87/1281822487.db2.gz SWWOQPLXLMXWTF-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO Cc1cc(C)cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001148993276 1281835945 /nfs/dbraw/zinc/83/59/45/1281835945.db2.gz OBVWGVYSQKWWFP-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)nc2)CC1 ZINC001175735521 1287532897 /nfs/dbraw/zinc/53/28/97/1287532897.db2.gz WGOXQVXILUFLLM-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000808918574 1281969758 /nfs/dbraw/zinc/96/97/58/1281969758.db2.gz DDAZPUCKKDRVAY-UHFFFAOYSA-N 1 0 337.395 2.990 20 5 EFBDRO Cc1ccccc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175704160 1287539460 /nfs/dbraw/zinc/53/94/60/1287539460.db2.gz JQKQEZZZOGFNAD-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000809728108 1282408810 /nfs/dbraw/zinc/40/88/10/1282408810.db2.gz LADUFEAOQZMNQE-UHFFFAOYSA-N 1 0 330.344 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000809732654 1282409878 /nfs/dbraw/zinc/40/98/78/1282409878.db2.gz ISNLPXPPXWSPAW-AWEZNQCLSA-N 1 0 333.413 2.753 20 5 EFBDRO CCOCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734549 1282411105 /nfs/dbraw/zinc/41/11/05/1282411105.db2.gz HEADOXILQPYPGH-UHFFFAOYSA-N 1 0 345.399 2.933 20 5 EFBDRO [NH3+]CCN(C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809736179 1282411689 /nfs/dbraw/zinc/41/16/89/1282411689.db2.gz IZESWXPYITUHRP-AWEZNQCLSA-N 1 0 327.384 2.926 20 5 EFBDRO [NH3+]CCN(Cc1ncccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000809734830 1282414671 /nfs/dbraw/zinc/41/46/71/1282414671.db2.gz LXRXKANMILDVTI-UHFFFAOYSA-N 1 0 340.305 2.974 20 5 EFBDRO [NH3+]CCN(Cc1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000809735187 1282414952 /nfs/dbraw/zinc/41/49/52/1282414952.db2.gz UPDHDXRQBGKUKI-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO [NH3+]CCN(Cc1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736337 1282427027 /nfs/dbraw/zinc/42/70/27/1282427027.db2.gz PJNXNZDBMQAENU-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809738473 1282437324 /nfs/dbraw/zinc/43/73/24/1282437324.db2.gz ZHAITZQODNJVQO-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000747578788 1282563140 /nfs/dbraw/zinc/56/31/40/1282563140.db2.gz AYUYZVVWQBOCTO-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO CC(C)(C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001131940474 1282605385 /nfs/dbraw/zinc/60/53/85/1282605385.db2.gz CZJWTBOLYFTLKF-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809919406 1282644974 /nfs/dbraw/zinc/64/49/74/1282644974.db2.gz IIWPCWIVQNKSEG-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO Cc1cccc(CCC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001131970075 1282692855 /nfs/dbraw/zinc/69/28/55/1282692855.db2.gz ZORQIDGGICYAJE-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000809974142 1282694221 /nfs/dbraw/zinc/69/42/21/1282694221.db2.gz NSJBIKTYNZLDBG-CYBMUJFWSA-N 1 0 349.214 2.779 20 5 EFBDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554261 1287592310 /nfs/dbraw/zinc/59/23/10/1287592310.db2.gz VZRBURLLUIRZBQ-LBPRGKRZSA-N 1 0 331.372 2.915 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809991958 1282721791 /nfs/dbraw/zinc/72/17/91/1282721791.db2.gz QBYHOUYVCOKMIM-MSOLQXFVSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815556471 1287594700 /nfs/dbraw/zinc/59/47/00/1287594700.db2.gz VYDJSQCNELGWQF-NSHDSACASA-N 1 0 328.372 2.986 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555658 1287595077 /nfs/dbraw/zinc/59/50/77/1287595077.db2.gz DWUCNLPZLXAJCX-GFCCVEGCSA-N 1 0 342.399 2.730 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567292 1287601784 /nfs/dbraw/zinc/60/17/84/1287601784.db2.gz SYAYOHJRJITUIK-JSGCOSHPSA-N 1 0 340.383 2.633 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594638 1287622157 /nfs/dbraw/zinc/62/21/57/1287622157.db2.gz UYJSTYUMRWMZRK-RFAUZJTJSA-N 1 0 337.326 2.839 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596577 1287622640 /nfs/dbraw/zinc/62/26/40/1287622640.db2.gz YAPMACXULWLGKX-MLGOLLRUSA-N 1 0 346.431 2.761 20 5 EFBDRO CC(C)(C)C(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132408012 1283504036 /nfs/dbraw/zinc/50/40/36/1283504036.db2.gz YIZJBNXMAVCMKC-UHFFFAOYSA-N 1 0 327.450 2.934 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000810845407 1283731909 /nfs/dbraw/zinc/73/19/09/1283731909.db2.gz BYKHYACRMIPWMM-QWHCGFSZSA-N 1 0 329.356 2.860 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810846614 1283734236 /nfs/dbraw/zinc/73/42/36/1283734236.db2.gz JGUHDJZTVYKDMD-SJORKVTESA-N 1 0 347.415 2.957 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810846606 1283734655 /nfs/dbraw/zinc/73/46/55/1283734655.db2.gz JGUHDJZTVYKDMD-DLBZAZTESA-N 1 0 347.415 2.957 20 5 EFBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001093408549 1283894975 /nfs/dbraw/zinc/89/49/75/1283894975.db2.gz BEWBNHLZMSUEPG-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[NH+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001093409066 1283896453 /nfs/dbraw/zinc/89/64/53/1283896453.db2.gz RNFQITNYHDNIRH-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO [NH3+]CCN(c1cnc(F)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC001170627571 1284112315 /nfs/dbraw/zinc/11/23/15/1284112315.db2.gz UYWHSMZIYNGDLS-UHFFFAOYSA-N 1 0 334.395 2.863 20 5 EFBDRO CC1(C)CC(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001132771541 1284252242 /nfs/dbraw/zinc/25/22/42/1284252242.db2.gz UTAKCKJINHRELP-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO CC(C)c1ccoc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132784109 1284279021 /nfs/dbraw/zinc/27/90/21/1284279021.db2.gz IJOZAKPXNFZEIC-UHFFFAOYSA-N 1 0 331.372 2.831 20 5 EFBDRO Cc1ccc(NCCNC(=O)CCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001093704459 1284413141 /nfs/dbraw/zinc/41/31/41/1284413141.db2.gz PEHZOLJDKRCSNV-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1coc(C(F)F)c1 ZINC001132936347 1284465374 /nfs/dbraw/zinc/46/53/74/1284465374.db2.gz NZQSFQUATPIMKU-UHFFFAOYSA-N 1 0 339.298 2.645 20 5 EFBDRO CCc1ccccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133029990 1284682229 /nfs/dbraw/zinc/68/22/29/1284682229.db2.gz MDNNCVJJRAALAM-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO Cc1ccc(NCCNC(=O)CC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001094007166 1284691564 /nfs/dbraw/zinc/69/15/64/1284691564.db2.gz IGJXUVYCNCYPEA-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC001133157306 1284888177 /nfs/dbraw/zinc/88/81/77/1284888177.db2.gz IBTHVDXMIRRRDP-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(Cc1cccc(Cl)c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133211156 1284999031 /nfs/dbraw/zinc/99/90/31/1284999031.db2.gz DCAXZLVVLQQUQQ-UHFFFAOYSA-N 1 0 347.802 2.697 20 5 EFBDRO O=C1N(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872713098 1287755609 /nfs/dbraw/zinc/75/56/09/1287755609.db2.gz JHTPSGLRGPSPQP-GASCZTMLSA-N 1 0 342.399 2.692 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]2C1 ZINC000812325674 1285052677 /nfs/dbraw/zinc/05/26/77/1285052677.db2.gz QZXAFYJKUHKDOR-YPMHNXCESA-N 1 0 345.424 2.833 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1F ZINC001133305173 1285156060 /nfs/dbraw/zinc/15/60/60/1285156060.db2.gz JQGRNSKEBBTFHM-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001094515584 1285242749 /nfs/dbraw/zinc/24/27/49/1285242749.db2.gz WSBPNMQRGARZQF-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO CC(C)(C(=O)NCCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001094595549 1285408652 /nfs/dbraw/zinc/40/86/52/1285408652.db2.gz IDTDTZYNEJNVMU-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccc1Cl ZINC001171667141 1285703440 /nfs/dbraw/zinc/70/34/40/1285703440.db2.gz FFEFWGFFJDZKJS-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171689328 1285752159 /nfs/dbraw/zinc/75/21/59/1285752159.db2.gz SGIMOIAZBNAINZ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001171852486 1285856611 /nfs/dbraw/zinc/85/66/11/1285856611.db2.gz WGZBCSGFUCRTLU-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813454082 1285917697 /nfs/dbraw/zinc/91/76/97/1285917697.db2.gz KJKGTHIHEAQFMV-SECBINFHSA-N 1 0 346.214 2.925 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001133833911 1286002252 /nfs/dbraw/zinc/00/22/52/1286002252.db2.gz JJOZANPKTQGFFJ-UHFFFAOYSA-N 1 0 342.399 2.633 20 5 EFBDRO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902720 1286307539 /nfs/dbraw/zinc/30/75/39/1286307539.db2.gz BUIKUZGLULZMJH-GJYPPUQNSA-N 1 0 344.411 2.870 20 5 EFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904391 1286309139 /nfs/dbraw/zinc/30/91/39/1286309139.db2.gz MZPINFMKRVKEGT-MAUKXSAKSA-N 1 0 332.400 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(c3cnccn3)CC1)CC2 ZINC001172904598 1286309314 /nfs/dbraw/zinc/30/93/14/1286309314.db2.gz OLNLEKVDFHHRBU-MRXNPFEDSA-N 1 0 338.411 2.954 20 5 EFBDRO COC(=O)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906268 1286310524 /nfs/dbraw/zinc/31/05/24/1286310524.db2.gz WUIDRGGBZUDZAL-MRXNPFEDSA-N 1 0 332.400 2.727 20 5 EFBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908168 1286311176 /nfs/dbraw/zinc/31/11/76/1286311176.db2.gz BYWBPADCDVGHIF-CGTJXYLNSA-N 1 0 343.427 2.537 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000814107754 1286322245 /nfs/dbraw/zinc/32/22/45/1286322245.db2.gz SLWCEVCQYUSAHA-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO [NH3+][C@@H]1CCc2nn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc2C1 ZINC001172899503 1286326404 /nfs/dbraw/zinc/32/64/04/1286326404.db2.gz ACXGLYCGWSUYBH-CVEARBPZSA-N 1 0 326.400 2.727 20 5 EFBDRO [NH3+]CCN(c1ccccn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912405 1286352937 /nfs/dbraw/zinc/35/29/37/1286352937.db2.gz NYJUJVFRNSJMLP-MRXNPFEDSA-N 1 0 326.400 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCOc1ccccn1)CC2 ZINC001172912944 1286353415 /nfs/dbraw/zinc/35/34/15/1286353415.db2.gz RXLBVTZYHAZUPX-MRXNPFEDSA-N 1 0 327.384 2.906 20 5 EFBDRO O=C1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]2CCCN12 ZINC001172913141 1286354507 /nfs/dbraw/zinc/35/45/07/1286354507.db2.gz PDWKATYHRGLPCL-WMZOPIPTSA-N 1 0 343.427 2.539 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3(CF)CC3)CC2)c(F)c1 ZINC001173005088 1286381163 /nfs/dbraw/zinc/38/11/63/1286381163.db2.gz BPADEJLDMMAXKY-UHFFFAOYSA-N 1 0 329.322 2.934 20 5 EFBDRO Nc1ccc(-c2noc(CC3(C[NH3+])CCCCC3)n2)cc1[N+](=O)[O-] ZINC000822633866 1289074242 /nfs/dbraw/zinc/07/42/42/1289074242.db2.gz CQDLQXHPSBLZNE-UHFFFAOYSA-N 1 0 331.376 2.679 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1F ZINC001134189220 1286436343 /nfs/dbraw/zinc/43/63/43/1286436343.db2.gz BVKZEVNDYIIZIS-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)C(C)(C)C)c1F ZINC001173175355 1286451156 /nfs/dbraw/zinc/45/11/56/1286451156.db2.gz ASZZZQFOWRZPPS-JTQLQIEISA-N 1 0 326.368 2.878 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCCCC2)c1F ZINC001173175744 1286451256 /nfs/dbraw/zinc/45/12/56/1286451256.db2.gz RHBWVBCWNSJGDU-CYBMUJFWSA-N 1 0 339.411 2.749 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCOC2)c1F ZINC001173175326 1286451588 /nfs/dbraw/zinc/45/15/88/1286451588.db2.gz AFOMGMOATFGWGF-NWDGAFQWSA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCCN2C)c1F ZINC001173177277 1286452418 /nfs/dbraw/zinc/45/24/18/1286452418.db2.gz SDSWAMXSPUQHNW-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cn1 ZINC001173178811 1286453407 /nfs/dbraw/zinc/45/34/07/1286453407.db2.gz MKOJQXLWXHJIKF-NSHDSACASA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1F ZINC001173178411 1286453739 /nfs/dbraw/zinc/45/37/39/1286453739.db2.gz BMJRNQINXZCDDN-HUBLWGQQSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(CO)cc2)c1F ZINC001173179361 1286454601 /nfs/dbraw/zinc/45/46/01/1286454601.db2.gz PBGKGEBFTGHLCS-LBPRGKRZSA-N 1 0 348.374 2.956 20 5 EFBDRO CCOC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180404 1286455317 /nfs/dbraw/zinc/45/53/17/1286455317.db2.gz VZLYEUMGMGRYRO-GHMZBOCLSA-N 1 0 342.367 2.605 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)(O)CC2)c1F ZINC001173183088 1286455988 /nfs/dbraw/zinc/45/59/88/1286455988.db2.gz WEBMTLURJBPTFJ-LLVKDONJSA-N 1 0 326.368 2.520 20 5 EFBDRO CCN(CC[NH+](C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183610 1286456024 /nfs/dbraw/zinc/45/60/24/1286456024.db2.gz IGZUKLMPOCLTQT-LBPRGKRZSA-N 1 0 327.400 2.557 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(OC)CC2)c1F ZINC001173184171 1286456077 /nfs/dbraw/zinc/45/60/77/1286456077.db2.gz LTBMBZJIPRTUIF-LLVKDONJSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(F)nc2)c1F ZINC001173182175 1286456498 /nfs/dbraw/zinc/45/64/98/1286456498.db2.gz IQSJVNBEFUQYAF-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(OC)CC2)c1F ZINC001173184174 1286457085 /nfs/dbraw/zinc/45/70/85/1286457085.db2.gz LTBMBZJIPRTUIF-NSHDSACASA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CCCO)C(C)C)c1F ZINC001173190281 1286457633 /nfs/dbraw/zinc/45/76/33/1286457633.db2.gz RWANTIVHAHUPFN-LBPRGKRZSA-N 1 0 328.384 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)c1F ZINC001173190104 1286457871 /nfs/dbraw/zinc/45/78/71/1286457871.db2.gz QIVHEJNQGXUXGV-OLZOCXBDSA-N 1 0 339.411 2.700 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001173214920 1286469653 /nfs/dbraw/zinc/46/96/53/1286469653.db2.gz RPCDJUZZAVNRLR-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001173215081 1286469707 /nfs/dbraw/zinc/46/97/07/1286469707.db2.gz RPNDNNVQCKVOOO-PWSUYJOCSA-N 1 0 332.429 2.557 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CC(=O)N1CCCC1 ZINC001173215902 1286470174 /nfs/dbraw/zinc/47/01/74/1286470174.db2.gz AXBZXNJCXXJDJJ-AWEZNQCLSA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001173215523 1286470219 /nfs/dbraw/zinc/47/02/19/1286470219.db2.gz WLKWHZYALLTFIT-WMLDXEAASA-N 1 0 330.384 2.555 20 5 EFBDRO Cc1cccc(C)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134226883 1286472604 /nfs/dbraw/zinc/47/26/04/1286472604.db2.gz SYMPCGMBAGRUHF-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)COCc1ccccc1 ZINC001173218518 1286473246 /nfs/dbraw/zinc/47/32/46/1286473246.db2.gz KHVKDDWWNHZDSL-QAPCUYQASA-N 1 0 344.411 2.693 20 5 EFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220100 1286473755 /nfs/dbraw/zinc/47/37/55/1286473755.db2.gz UBUFPPOMYCARGY-LBPRGKRZSA-N 1 0 341.367 2.928 20 5 EFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220099 1286474144 /nfs/dbraw/zinc/47/41/44/1286474144.db2.gz UBUFPPOMYCARGY-GFCCVEGCSA-N 1 0 341.367 2.928 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173220161 1286474343 /nfs/dbraw/zinc/47/43/43/1286474343.db2.gz VBPNSGANASDCGI-AWEZNQCLSA-N 1 0 345.399 2.736 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC001173220201 1286474378 /nfs/dbraw/zinc/47/43/78/1286474378.db2.gz VSTMRNSQBRSVFL-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001173221651 1286474886 /nfs/dbraw/zinc/47/48/86/1286474886.db2.gz OJXXEOPLYYVIPD-AWEZNQCLSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001173221998 1286475449 /nfs/dbraw/zinc/47/54/49/1286475449.db2.gz ODEDFXMELLCGAD-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-n2ccnn2)cc1 ZINC001173228334 1286482267 /nfs/dbraw/zinc/48/22/67/1286482267.db2.gz JELPPIMIWMUJPO-AWEZNQCLSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001173230689 1286482911 /nfs/dbraw/zinc/48/29/11/1286482911.db2.gz UKTIZOUZJPNNQY-LBPRGKRZSA-N 1 0 325.368 2.810 20 5 EFBDRO CCN(C(C)=O)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232275 1286483185 /nfs/dbraw/zinc/48/31/85/1286483185.db2.gz AFTOZWGKLMGMBC-AWEZNQCLSA-N 1 0 333.432 2.859 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001173234123 1286484116 /nfs/dbraw/zinc/48/41/16/1286484116.db2.gz NEPYCGDMWGDBEW-MJJDPTRDSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001173234793 1286484342 /nfs/dbraw/zinc/48/43/42/1286484342.db2.gz QBEQQBBAHHDCCT-YJBOKZPZSA-N 1 0 328.412 2.967 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001173211550 1286485144 /nfs/dbraw/zinc/48/51/44/1286485144.db2.gz SRIDTJINQDJHHZ-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001173212628 1286486492 /nfs/dbraw/zinc/48/64/92/1286486492.db2.gz BRRAEGBOVWPYNM-CZUORRHYSA-N 1 0 328.368 2.955 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001173214515 1286487743 /nfs/dbraw/zinc/48/77/43/1286487743.db2.gz OKCYCCTZFCTAPA-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001173238707 1286497068 /nfs/dbraw/zinc/49/70/68/1286497068.db2.gz WDFANWGOWYMSSP-WMLDXEAASA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001173238992 1286497476 /nfs/dbraw/zinc/49/74/76/1286497476.db2.gz ZTMCOVWLCLXMJS-YOEHRIQHSA-N 1 0 342.399 2.859 20 5 EFBDRO Cc1ccccc1CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134299122 1286542895 /nfs/dbraw/zinc/54/28/95/1286542895.db2.gz VVDAJLJPLJFARX-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO Cc1cc(NC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001095228408 1286709772 /nfs/dbraw/zinc/70/97/72/1286709772.db2.gz IBJGHEDLMQEMQD-UHFFFAOYSA-N 1 0 348.447 2.646 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095233857 1286722148 /nfs/dbraw/zinc/72/21/48/1286722148.db2.gz VMSDEJQCTCDNMD-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO Nc1ccnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001170753800 1286800659 /nfs/dbraw/zinc/80/06/59/1286800659.db2.gz OPKVAUZJGGSMOV-HNNXBMFYSA-N 1 0 341.415 2.691 20 5 EFBDRO CC[N@H+](C)CCC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095263674 1286814754 /nfs/dbraw/zinc/81/47/54/1286814754.db2.gz CABYSASVEKQPQF-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095262118 1286820748 /nfs/dbraw/zinc/82/07/48/1286820748.db2.gz YNRGRQUZCITRRK-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[NH+](C)CCCC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095269831 1286844930 /nfs/dbraw/zinc/84/49/30/1286844930.db2.gz MUCLQPKJAYBQCJ-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)cs1 ZINC001134789020 1287190800 /nfs/dbraw/zinc/19/08/00/1287190800.db2.gz OHUXRUKSZCNKMR-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001176261848 1287933024 /nfs/dbraw/zinc/93/30/24/1287933024.db2.gz NZGRJEIMRCKFSE-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001176412411 1287982899 /nfs/dbraw/zinc/98/28/99/1287982899.db2.gz KMAISZFRRVDJNR-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816625537 1288214486 /nfs/dbraw/zinc/21/44/86/1288214486.db2.gz HDAKKVRLTKSQTQ-LLVKDONJSA-N 1 0 327.812 2.890 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816946606 1288335972 /nfs/dbraw/zinc/33/59/72/1288335972.db2.gz QPCVTXOLNCVLAT-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO O=C(NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)F ZINC001177710932 1288523556 /nfs/dbraw/zinc/52/35/56/1288523556.db2.gz FXLMZQPWIJMKBZ-UHFFFAOYSA-N 1 0 335.376 2.688 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817304899 1288530717 /nfs/dbraw/zinc/53/07/17/1288530717.db2.gz XSOWCCCIMZLNAZ-NSHDSACASA-N 1 0 326.784 2.806 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000817410898 1288590363 /nfs/dbraw/zinc/59/03/63/1288590363.db2.gz JLEOIFOMFIBTDY-GFCCVEGCSA-N 1 0 325.796 2.596 20 5 EFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000817417671 1288593635 /nfs/dbraw/zinc/59/36/35/1288593635.db2.gz RNOSZJRNCHZRMU-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000817419843 1288594259 /nfs/dbraw/zinc/59/42/59/1288594259.db2.gz LCGSATNIFNKYTN-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001178463769 1288793344 /nfs/dbraw/zinc/79/33/44/1288793344.db2.gz LGWPIPCTSCLCFT-QZTJIDSGSA-N 1 0 347.459 2.735 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821781885 1288795429 /nfs/dbraw/zinc/79/54/29/1288795429.db2.gz OWUOOBSFQMGUDC-OIISXLGYSA-N 1 0 331.416 2.641 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822135161 1288889911 /nfs/dbraw/zinc/88/99/11/1288889911.db2.gz MEOPFQIEEUXMIM-HZPDHXFCSA-N 1 0 331.416 2.689 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822143194 1288892350 /nfs/dbraw/zinc/89/23/50/1288892350.db2.gz GTTVTKZJYZEPTO-HZPDHXFCSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822187617 1288902004 /nfs/dbraw/zinc/90/20/04/1288902004.db2.gz DZKXYAHEBHNKFT-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000903439409 1312682672 /nfs/dbraw/zinc/68/26/72/1312682672.db2.gz DPMVCDFANWRXHQ-HPFXQQBRSA-N 1 0 342.399 2.523 20 5 EFBDRO CC(C)(CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N+](=O)[O-] ZINC000823050633 1289190104 /nfs/dbraw/zinc/19/01/04/1289190104.db2.gz GPUUQVPUPWEQNM-UHFFFAOYSA-N 1 0 339.480 2.937 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)c1 ZINC000823088073 1289208208 /nfs/dbraw/zinc/20/82/08/1289208208.db2.gz HCRYNWUUAQZWBZ-BMIGLBTASA-N 1 0 334.376 2.664 20 5 EFBDRO CC(C)(CCc1noc(C2(c3ccccc3)CC[NH2+]CC2)n1)[N+](=O)[O-] ZINC000823234511 1289236972 /nfs/dbraw/zinc/23/69/72/1289236972.db2.gz JFDZAORFFWHDMW-UHFFFAOYSA-N 1 0 344.415 2.727 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000823500291 1289322121 /nfs/dbraw/zinc/32/21/21/1289322121.db2.gz WHNMZCNDUDVKBG-GVDBMIGSSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003216 1289498038 /nfs/dbraw/zinc/49/80/38/1289498038.db2.gz SXHCCTIEMDINDB-JHJVBQTASA-N 1 0 349.435 2.665 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC000824003190 1289498176 /nfs/dbraw/zinc/49/81/76/1289498176.db2.gz RUFOPRUVBGLRRY-CQSZACIVSA-N 1 0 349.416 2.663 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824003325 1289498579 /nfs/dbraw/zinc/49/85/79/1289498579.db2.gz XLZVIRFLFWSJFZ-LBPRGKRZSA-N 1 0 349.435 2.809 20 5 EFBDRO Nc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000824008544 1289499381 /nfs/dbraw/zinc/49/93/81/1289499381.db2.gz QILWUMVGMRFYIW-UHFFFAOYSA-N 1 0 335.408 2.565 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823973088 1289503489 /nfs/dbraw/zinc/50/34/89/1289503489.db2.gz DIIPOPQPBXBYLW-UHFFFAOYSA-N 1 0 349.435 2.763 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823975007 1289504182 /nfs/dbraw/zinc/50/41/82/1289504182.db2.gz YMHXEOJJSHTAQB-ZDUSSCGKSA-N 1 0 349.435 2.667 20 5 EFBDRO Nc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000823975077 1289504903 /nfs/dbraw/zinc/50/49/03/1289504903.db2.gz ZKHIMLRYHQCBOS-UHFFFAOYSA-N 1 0 347.419 2.659 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823985933 1289507423 /nfs/dbraw/zinc/50/74/23/1289507423.db2.gz FIQJZGCBENJGOP-UHFFFAOYSA-N 1 0 335.408 2.515 20 5 EFBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000823994177 1289509625 /nfs/dbraw/zinc/50/96/25/1289509625.db2.gz NRASYJDEVOTTDP-OAHLLOKOSA-N 1 0 337.424 2.665 20 5 EFBDRO Nc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000823993257 1289510098 /nfs/dbraw/zinc/51/00/98/1289510098.db2.gz BVADZQKPBRJGNQ-UHFFFAOYSA-N 1 0 349.435 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nnc2ccccn21 ZINC000873009629 1289517096 /nfs/dbraw/zinc/51/70/96/1289517096.db2.gz PTLUCPKSMLYWSZ-UHFFFAOYSA-N 1 0 325.372 2.587 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000873020247 1289523250 /nfs/dbraw/zinc/52/32/50/1289523250.db2.gz LJCWZJIJQJRWOY-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO COCCC[NH+]1CCC(NCc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873036791 1289533557 /nfs/dbraw/zinc/53/35/57/1289533557.db2.gz AUQYFTZWJCBNTQ-UHFFFAOYSA-N 1 0 335.448 2.802 20 5 EFBDRO Cc1c(C[NH2+]CC(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000873044771 1289537956 /nfs/dbraw/zinc/53/79/56/1289537956.db2.gz AYMWKDMAMVDSQH-UHFFFAOYSA-N 1 0 325.368 2.582 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000873081117 1289558111 /nfs/dbraw/zinc/55/81/11/1289558111.db2.gz YLZYWALYNQVRRP-RBUKOAKNSA-N 1 0 347.459 2.679 20 5 EFBDRO Cc1sc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000873081958 1289559468 /nfs/dbraw/zinc/55/94/68/1289559468.db2.gz WXZBHSXRLZTELW-UHFFFAOYSA-N 1 0 345.222 2.714 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000873124480 1289581338 /nfs/dbraw/zinc/58/13/38/1289581338.db2.gz FMUQBDRHKIFKOU-UHFFFAOYSA-N 1 0 340.445 2.659 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000873150225 1289602878 /nfs/dbraw/zinc/60/28/78/1289602878.db2.gz IDJZUFSXKTVQNP-ZDUSSCGKSA-N 1 0 343.309 2.696 20 5 EFBDRO CC[C@H]1COCCN1CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000873189646 1289629739 /nfs/dbraw/zinc/62/97/39/1289629739.db2.gz SKDOQIQGDNANHS-JMPLCFMRSA-N 1 0 333.432 2.699 20 5 EFBDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000873196460 1289635011 /nfs/dbraw/zinc/63/50/11/1289635011.db2.gz SIFCGYSLNMEGPJ-KZULUSFZSA-N 1 0 346.383 2.824 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873296458 1289709607 /nfs/dbraw/zinc/70/96/07/1289709607.db2.gz GBJUWNLYVHFYSF-WBMJQRKESA-N 1 0 326.400 2.542 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000873299792 1289712752 /nfs/dbraw/zinc/71/27/52/1289712752.db2.gz WEBIQMVOXKWEHS-CQSZACIVSA-N 1 0 325.368 2.742 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873320292 1289728835 /nfs/dbraw/zinc/72/88/35/1289728835.db2.gz UEFOVJOJIPEVJJ-HNNXBMFYSA-N 1 0 340.383 2.739 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825825573 1290694950 /nfs/dbraw/zinc/69/49/50/1290694950.db2.gz XDULTWLYEVVIMZ-UHFFFAOYSA-N 1 0 325.384 2.976 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876838883 1291043500 /nfs/dbraw/zinc/04/35/00/1291043500.db2.gz NQMKCIRLIZXQSJ-JKSUJKDBSA-N 1 0 339.395 2.779 20 5 EFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876987735 1291099183 /nfs/dbraw/zinc/09/91/83/1291099183.db2.gz HQIDZGKMEQTLEY-MRVPVSSYSA-N 1 0 337.239 2.915 20 5 EFBDRO Cn1nccc1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877362417 1291212557 /nfs/dbraw/zinc/21/25/57/1291212557.db2.gz CCUQLXGXBXRTIU-UHFFFAOYSA-N 1 0 328.294 2.679 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000877517033 1291256025 /nfs/dbraw/zinc/25/60/25/1291256025.db2.gz KVUDAVLBBZRPGB-ZBFHGGJFSA-N 1 0 333.432 2.507 20 5 EFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877530061 1291262366 /nfs/dbraw/zinc/26/23/66/1291262366.db2.gz PFDGFFOKCSTDRL-INIZCTEOSA-N 1 0 333.432 2.950 20 5 EFBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831699 1291400158 /nfs/dbraw/zinc/40/01/58/1291400158.db2.gz WWWUVOGGDDSNGC-BNEJOLLZSA-N 1 0 334.416 2.571 20 5 EFBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831701 1291400402 /nfs/dbraw/zinc/40/04/02/1291400402.db2.gz WWWUVOGGDDSNGC-VIBAHUMZSA-N 1 0 334.416 2.571 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCC([C@H]4CCC[NH2+]4)CC3)cnc2c1 ZINC001166900366 1312863535 /nfs/dbraw/zinc/86/35/35/1312863535.db2.gz MGNPUBFPALRTGZ-CQSZACIVSA-N 1 0 327.388 2.506 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166902775 1312863877 /nfs/dbraw/zinc/86/38/77/1312863877.db2.gz KKTVEMKYUOCDLB-OAHLLOKOSA-N 1 0 327.388 2.506 20 5 EFBDRO CC(C)[NH2+]C1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878235196 1291572160 /nfs/dbraw/zinc/57/21/60/1291572160.db2.gz BCPJCOOJDAWEBV-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)o1 ZINC000878291894 1291605971 /nfs/dbraw/zinc/60/59/71/1291605971.db2.gz RDFGJBDSPBOFKC-OLZOCXBDSA-N 1 0 344.371 2.503 20 5 EFBDRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000957476134 1291620960 /nfs/dbraw/zinc/62/09/60/1291620960.db2.gz OPXLJRCJOAJDKU-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1(F)F ZINC001166961193 1312872643 /nfs/dbraw/zinc/87/26/43/1312872643.db2.gz MJAJTGMOCGEKBD-ZDUSSCGKSA-N 1 0 334.326 2.830 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H]2[C@H]2CCCO2)o1 ZINC000878573816 1291721372 /nfs/dbraw/zinc/72/13/72/1291721372.db2.gz WFXYKHSYWMIXMX-LSDHHAIUSA-N 1 0 344.371 2.788 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878663432 1291747050 /nfs/dbraw/zinc/74/70/50/1291747050.db2.gz IOQWYDWXYWDLMD-INIZCTEOSA-N 1 0 332.360 2.503 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878683522 1291753113 /nfs/dbraw/zinc/75/31/13/1291753113.db2.gz ACCFPNXLSQVZOP-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000826068145 1291773649 /nfs/dbraw/zinc/77/36/49/1291773649.db2.gz DECAZNDSINQJPS-ZDUSSCGKSA-N 1 0 327.812 2.873 20 5 EFBDRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001114788074 1291963583 /nfs/dbraw/zinc/96/35/83/1291963583.db2.gz KKTPTDDGXKQAOL-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C1[C@@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000879530024 1292173850 /nfs/dbraw/zinc/17/38/50/1292173850.db2.gz JOUMJPQFCFLIMC-VBQJREDUSA-N 1 0 327.384 2.598 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CC[NH+]([C@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000826121671 1292242991 /nfs/dbraw/zinc/24/29/91/1292242991.db2.gz OJLJDBFPQFCUDC-CQSZACIVSA-N 1 0 349.431 2.621 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000775405727 1292275037 /nfs/dbraw/zinc/27/50/37/1292275037.db2.gz DDQIFCOYQJPDAR-QLFBSQMISA-N 1 0 340.470 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000879996944 1292328287 /nfs/dbraw/zinc/32/82/87/1292328287.db2.gz VLVGOYDVCIMGBO-ZWKOTPCHSA-N 1 0 346.358 2.921 20 5 EFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775418533 1292356871 /nfs/dbraw/zinc/35/68/71/1292356871.db2.gz DTSCILLJNMYXKN-KDOFPFPSSA-N 1 0 333.432 2.968 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](CF)C1 ZINC000880295151 1292440030 /nfs/dbraw/zinc/44/00/30/1292440030.db2.gz PLRXSRVFDAJCGR-ZJUUUORDSA-N 1 0 329.759 2.867 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC001233501207 1312944930 /nfs/dbraw/zinc/94/49/30/1312944930.db2.gz XXWDRBREFLIMOL-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001233553855 1312956556 /nfs/dbraw/zinc/95/65/56/1312956556.db2.gz NNCRQNOJFCKSND-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO CC[NH+]1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203574646 1312961275 /nfs/dbraw/zinc/96/12/75/1312961275.db2.gz DMIWPRQUYRFFDA-UHFFFAOYSA-N 1 0 341.415 2.871 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233711483 1312976441 /nfs/dbraw/zinc/97/64/41/1312976441.db2.gz NIVMMOMOQYBSML-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO O=[N+]([O-])c1ncc(Cl)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001233712065 1312976541 /nfs/dbraw/zinc/97/65/41/1312976541.db2.gz YURITVIEONQEGR-BETUJISGSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1ncc(Cl)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001233717628 1312977891 /nfs/dbraw/zinc/97/78/91/1312977891.db2.gz YURITVIEONQEGR-JOCQHMNTSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000882724981 1293297485 /nfs/dbraw/zinc/29/74/85/1293297485.db2.gz HOVBBFSWLOZNJL-GFCCVEGCSA-N 1 0 341.358 2.610 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000882724750 1293297646 /nfs/dbraw/zinc/29/76/46/1293297646.db2.gz BSFQJFCALVRNGG-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO CC(=O)c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882725701 1293298153 /nfs/dbraw/zinc/29/81/53/1293298153.db2.gz ZDDVQGSEEKMIIT-INIZCTEOSA-N 1 0 347.415 2.535 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882727413 1293298912 /nfs/dbraw/zinc/29/89/12/1293298912.db2.gz VVLJXEVTUQHYRT-HNNXBMFYSA-N 1 0 347.415 2.535 20 5 EFBDRO Cc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000882727300 1293299399 /nfs/dbraw/zinc/29/93/99/1293299399.db2.gz RMSMLWJVIPOUDY-AWEZNQCLSA-N 1 0 337.395 2.780 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000130278488 1293351062 /nfs/dbraw/zinc/35/10/62/1293351062.db2.gz AOQIKGQJSKZZOI-BETUJISGSA-N 1 0 341.839 2.789 20 5 EFBDRO O=[N+]([O-])c1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC001233856779 1313006000 /nfs/dbraw/zinc/00/60/00/1313006000.db2.gz GXLYQCGWYDFSPS-QGZVFWFLSA-N 1 0 343.383 2.660 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000883282216 1293530826 /nfs/dbraw/zinc/53/08/26/1293530826.db2.gz MAPZHRJKVMYIHA-UHFFFAOYSA-N 1 0 340.383 2.723 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000351936621 1313009848 /nfs/dbraw/zinc/00/98/48/1313009848.db2.gz MIGSKJIZJPRRFE-KBXCAEBGSA-N 1 0 349.431 2.571 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000883455771 1293599276 /nfs/dbraw/zinc/59/92/76/1293599276.db2.gz KMJRVYKRGLXILU-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001233903032 1313014808 /nfs/dbraw/zinc/01/48/08/1313014808.db2.gz NCSLNBBKJMVKGZ-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO CC[NH+]1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)CC1 ZINC001233902215 1313014893 /nfs/dbraw/zinc/01/48/93/1313014893.db2.gz RVRSKBBTCVVSJO-UHFFFAOYSA-N 1 0 346.343 2.914 20 5 EFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001234012429 1313037905 /nfs/dbraw/zinc/03/79/05/1313037905.db2.gz WNUGJQJMCORVMS-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001234012613 1313038171 /nfs/dbraw/zinc/03/81/71/1313038171.db2.gz YFVPAGATLCWFAE-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153279 1294013183 /nfs/dbraw/zinc/01/31/83/1294013183.db2.gz HTDOJZNTDAZHQV-KRWDZBQOSA-N 1 0 349.431 2.599 20 5 EFBDRO COc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000884856094 1294268963 /nfs/dbraw/zinc/26/89/63/1294268963.db2.gz ZWGYQSQPJAFZJM-GFCCVEGCSA-N 1 0 346.362 2.853 20 5 EFBDRO COc1cc(C[NH+](C)C)cc(F)c1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001234245176 1313087027 /nfs/dbraw/zinc/08/70/27/1313087027.db2.gz VPWVLOPNKHUWMG-INIZCTEOSA-N 1 0 349.362 2.688 20 5 EFBDRO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136869201 1294690702 /nfs/dbraw/zinc/69/07/02/1294690702.db2.gz JZEDEJZJKTYCEQ-GOSISDBHSA-N 1 0 330.384 2.947 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000137327486 1294755352 /nfs/dbraw/zinc/75/53/52/1294755352.db2.gz VBDGXDNNTDOSMO-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886315329 1294846811 /nfs/dbraw/zinc/84/68/11/1294846811.db2.gz GRQYUMVOUNGLRL-HNNXBMFYSA-N 1 0 326.400 2.869 20 5 EFBDRO Cc1ncsc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234360015 1313113207 /nfs/dbraw/zinc/11/32/07/1313113207.db2.gz DFJLPTSRUOLKRU-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO Cc1ccccc1[C@H](CO)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000886439218 1294969768 /nfs/dbraw/zinc/96/97/68/1294969768.db2.gz RRCSJPALDWHZRH-ZWKOTPCHSA-N 1 0 330.384 2.602 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000886439216 1294970695 /nfs/dbraw/zinc/97/06/95/1294970695.db2.gz RRCSJPALDWHZRH-QZTJIDSGSA-N 1 0 330.384 2.602 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001234409779 1313121977 /nfs/dbraw/zinc/12/19/77/1313121977.db2.gz GYUJXDCHRMQOOX-CQSZACIVSA-N 1 0 336.388 2.562 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[NH+](CC)CC)c1 ZINC001234407465 1313122021 /nfs/dbraw/zinc/12/20/21/1313122021.db2.gz BCMYGAUUPFDRAE-CYBMUJFWSA-N 1 0 338.404 2.810 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000886838389 1295176909 /nfs/dbraw/zinc/17/69/09/1295176909.db2.gz WQYKRIZMWFLTTJ-HNNXBMFYSA-N 1 0 332.791 2.790 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134282 1295287623 /nfs/dbraw/zinc/28/76/23/1295287623.db2.gz GTCKZGJLZFPEPK-CQSZACIVSA-N 1 0 342.399 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000415134944 1295300550 /nfs/dbraw/zinc/30/05/50/1295300550.db2.gz IJTJHZJKRJPFKJ-OAHLLOKOSA-N 1 0 327.331 2.524 20 5 EFBDRO COc1cc(Br)c(O[C@H](C)C[N+](C)(C)C)cc1OC ZINC001234509776 1313142288 /nfs/dbraw/zinc/14/22/88/1313142288.db2.gz SUGZDACEJCYMRK-SNVBAGLBSA-N 1 0 333.246 2.940 20 5 EFBDRO C/C(=C\C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001234530815 1313148438 /nfs/dbraw/zinc/14/84/38/1313148438.db2.gz ZTABEHGAPSEADD-WYMLVPIESA-N 1 0 331.416 2.889 20 5 EFBDRO C[C@H]1[NH2+]CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000903748117 1313159138 /nfs/dbraw/zinc/15/91/38/1313159138.db2.gz YVHSVJNVIWROHU-ZJUUUORDSA-N 1 0 328.210 2.540 20 5 EFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000903750077 1313160846 /nfs/dbraw/zinc/16/08/46/1313160846.db2.gz UJJILBNIKKILPU-CYBMUJFWSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903753762 1313165260 /nfs/dbraw/zinc/16/52/60/1313165260.db2.gz YBVLKWRGMCKBJC-RULNRJAQSA-N 1 0 342.237 2.833 20 5 EFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000775997300 1295606935 /nfs/dbraw/zinc/60/69/35/1295606935.db2.gz AKYVJNJXCBJCFK-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000776004103 1295632365 /nfs/dbraw/zinc/63/23/65/1295632365.db2.gz ZAMJCLHCHNCEFH-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO COCCOc1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001234628979 1313172761 /nfs/dbraw/zinc/17/27/61/1313172761.db2.gz CFCBWJHGQYEUKG-GFCCVEGCSA-N 1 0 347.273 2.948 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2cc(Br)ncc21 ZINC001234650612 1313178352 /nfs/dbraw/zinc/17/83/52/1313178352.db2.gz MUDRMGSCSMPEJR-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903768223 1313181475 /nfs/dbraw/zinc/18/14/75/1313181475.db2.gz MCQFGHQHPYMSLC-ZJUUUORDSA-N 1 0 328.210 2.669 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000889621141 1295784541 /nfs/dbraw/zinc/78/45/41/1295784541.db2.gz ACKFASMHSMLTJO-HUUCEWRRSA-N 1 0 331.416 2.768 20 5 EFBDRO C[C@@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000889828052 1295839117 /nfs/dbraw/zinc/83/91/17/1295839117.db2.gz SUOCDAFRXXQCME-GFCCVEGCSA-N 1 0 349.406 2.971 20 5 EFBDRO C[C@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000889828053 1295839551 /nfs/dbraw/zinc/83/95/51/1295839551.db2.gz SUOCDAFRXXQCME-LBPRGKRZSA-N 1 0 349.406 2.971 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889829254 1295839733 /nfs/dbraw/zinc/83/97/33/1295839733.db2.gz LRTZOSGWLYZWLX-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889830524 1295840884 /nfs/dbraw/zinc/84/08/84/1295840884.db2.gz JELJJHQZOBYCNH-UHFFFAOYSA-N 1 0 331.416 2.661 20 5 EFBDRO COc1c(O[C@@H]2CC[N@H+](C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234718460 1313186082 /nfs/dbraw/zinc/18/60/82/1313186082.db2.gz LXMQJNZLMYSNMK-GFCCVEGCSA-N 1 0 349.390 2.530 20 5 EFBDRO C[NH+]1CCC(Oc2cnc3ccc(=O)n4c5ccccc5c2c34)CC1 ZINC001234715286 1313186191 /nfs/dbraw/zinc/18/61/91/1313186191.db2.gz XMVSMJBRQFOGMJ-UHFFFAOYSA-N 1 0 333.391 2.912 20 5 EFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000890082405 1295895340 /nfs/dbraw/zinc/89/53/40/1295895340.db2.gz WGDFENUWRVYKLQ-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001234902801 1313206085 /nfs/dbraw/zinc/20/60/85/1313206085.db2.gz ALROVTQIUGUJTI-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001234904559 1313206170 /nfs/dbraw/zinc/20/61/70/1313206170.db2.gz GHVZVPNGQQCQNF-MRXNPFEDSA-N 1 0 343.383 2.578 20 5 EFBDRO C[NH+]1CCN(c2ccccc2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001201222405 1296669078 /nfs/dbraw/zinc/66/90/78/1296669078.db2.gz NPSDIKMACBKJMA-UHFFFAOYSA-N 1 0 328.372 2.796 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001235442416 1313322758 /nfs/dbraw/zinc/32/27/58/1313322758.db2.gz GZFDANUEONMBMC-FQEVSTJZSA-N 1 0 334.419 2.940 20 5 EFBDRO CC1CCC([NH+]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776275880 1297339656 /nfs/dbraw/zinc/33/96/56/1297339656.db2.gz IDKVOAWBCXWMRQ-GXOAENINSA-N 1 0 347.459 2.825 20 5 EFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000776279821 1297356611 /nfs/dbraw/zinc/35/66/11/1297356611.db2.gz ZCPZQGZKWHETEO-OALUTQOASA-N 1 0 349.475 2.974 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932375977 1297420669 /nfs/dbraw/zinc/42/06/69/1297420669.db2.gz CECKJGRPLKRAQZ-SFHVURJKSA-N 1 0 340.383 2.978 20 5 EFBDRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779868477 1298981713 /nfs/dbraw/zinc/98/17/13/1298981713.db2.gz SSRZHMTUAJSJMF-HUUCEWRRSA-N 1 0 343.431 2.652 20 5 EFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796401071 1299165707 /nfs/dbraw/zinc/16/57/07/1299165707.db2.gz CJBOBRDUUOEBQE-KCJUWKMLSA-N 1 0 329.809 2.528 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000776486908 1299305396 /nfs/dbraw/zinc/30/53/96/1299305396.db2.gz YPFSYXCURKCNLM-SNVBAGLBSA-N 1 0 326.784 2.664 20 5 EFBDRO CC1(C)OC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851790778 1299396213 /nfs/dbraw/zinc/39/62/13/1299396213.db2.gz OSUXFSGWDTZPJN-MRXNPFEDSA-N 1 0 336.388 2.590 20 5 EFBDRO COCC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574198 1299605562 /nfs/dbraw/zinc/60/55/62/1299605562.db2.gz FARRIABUKFARHO-MRXNPFEDSA-N 1 0 336.413 2.838 20 5 EFBDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776579936 1299627903 /nfs/dbraw/zinc/62/79/03/1299627903.db2.gz PSZJZYPHJNFBOE-SFHVURJKSA-N 1 0 328.368 2.695 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000776581596 1299632701 /nfs/dbraw/zinc/63/27/01/1299632701.db2.gz KVKTXYKEIFJMIN-ROUUACIJSA-N 1 0 333.432 2.579 20 5 EFBDRO Cc1nc2sccn2c1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590878 1299672696 /nfs/dbraw/zinc/67/26/96/1299672696.db2.gz JVOMRYLZDUAMIF-HNNXBMFYSA-N 1 0 346.412 2.778 20 5 EFBDRO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590512 1299675913 /nfs/dbraw/zinc/67/59/13/1299675913.db2.gz HBQMFAVBIMGYSY-MOPGFXCFSA-N 1 0 344.411 2.901 20 5 EFBDRO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000776594224 1299691743 /nfs/dbraw/zinc/69/17/43/1299691743.db2.gz ZCFNKSLAPFCKHK-RTBURBONSA-N 1 0 341.411 2.617 20 5 EFBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000852444086 1299705797 /nfs/dbraw/zinc/70/57/97/1299705797.db2.gz SFTVHPKPWCSCDU-MSOLQXFVSA-N 1 0 346.383 2.614 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000776599388 1299706722 /nfs/dbraw/zinc/70/67/22/1299706722.db2.gz ZTKHMIQICBCDCA-IBGZPJMESA-N 1 0 341.411 2.978 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000853134789 1300020932 /nfs/dbraw/zinc/02/09/32/1300020932.db2.gz OJFOCBRYRSCVLO-QGZVFWFLSA-N 1 0 336.436 2.726 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000853266311 1300074316 /nfs/dbraw/zinc/07/43/16/1300074316.db2.gz APCWETVRNFAVBA-HIFRSBDPSA-N 1 0 341.358 2.568 20 5 EFBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C1CC1)C1CC1 ZINC000853494028 1300135272 /nfs/dbraw/zinc/13/52/72/1300135272.db2.gz XUVYWZBQMRBEKB-UHFFFAOYSA-N 1 0 327.388 2.931 20 5 EFBDRO COC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853497460 1300137130 /nfs/dbraw/zinc/13/71/30/1300137130.db2.gz ZEPVJYVRYZDECA-UHFFFAOYSA-N 1 0 345.403 2.700 20 5 EFBDRO CCC(=O)c1ccc(N2CCC(CO)([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000853657097 1300216372 /nfs/dbraw/zinc/21/63/72/1300216372.db2.gz MXVWINHVTWJQRN-UHFFFAOYSA-N 1 0 349.431 2.517 20 5 EFBDRO CC(C)CO[C@H](C)C(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853672664 1300223828 /nfs/dbraw/zinc/22/38/28/1300223828.db2.gz JFIUBBUHPRDUBC-SECBINFHSA-N 1 0 331.319 2.933 20 5 EFBDRO Nc1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000853810835 1300286746 /nfs/dbraw/zinc/28/67/46/1300286746.db2.gz KDHUFAHWJQCICL-UHFFFAOYSA-N 1 0 341.415 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)c2nonc21 ZINC000853986029 1300376682 /nfs/dbraw/zinc/37/66/82/1300376682.db2.gz YKLOJFSZEXLVMZ-UHFFFAOYSA-N 1 0 331.376 2.665 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000854413202 1300555454 /nfs/dbraw/zinc/55/54/54/1300555454.db2.gz ONSGLSUMSHHRJG-UHFFFAOYSA-N 1 0 343.358 2.690 20 5 EFBDRO Nc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854495756 1300592934 /nfs/dbraw/zinc/59/29/34/1300592934.db2.gz SXWIGUKSGZLSLL-CQSZACIVSA-N 1 0 340.383 2.638 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000854736341 1300682253 /nfs/dbraw/zinc/68/22/53/1300682253.db2.gz CZAHDISSZQSXKY-INIZCTEOSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000854896011 1300726919 /nfs/dbraw/zinc/72/69/19/1300726919.db2.gz FSMNKZHXTDIJGU-NSHDSACASA-N 1 0 341.358 2.736 20 5 EFBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000245913571 1300815390 /nfs/dbraw/zinc/81/53/90/1300815390.db2.gz ROENDKRKBRNJLM-WMLDXEAASA-N 1 0 343.431 2.627 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000855417806 1300948914 /nfs/dbraw/zinc/94/89/14/1300948914.db2.gz PIDQUHKRFSTRLS-QMMMGPOBSA-N 1 0 334.203 2.972 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859583733 1301498910 /nfs/dbraw/zinc/49/89/10/1301498910.db2.gz GONURZGGNMGZIS-LJQANCHMSA-N 1 0 342.395 2.957 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859900615 1301628586 /nfs/dbraw/zinc/62/85/86/1301628586.db2.gz DFCWRLJUTTWGOG-GHMZBOCLSA-N 1 0 325.796 2.851 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796460096 1301738731 /nfs/dbraw/zinc/73/87/31/1301738731.db2.gz RHRQJUNBZUZIBD-GOSISDBHSA-N 1 0 335.448 2.826 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861359650 1302104285 /nfs/dbraw/zinc/10/42/85/1302104285.db2.gz QAPHSZFCCXUIJJ-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097051585 1313823394 /nfs/dbraw/zinc/82/33/94/1313823394.db2.gz YVFRUVMNXRQRIY-WKILWMFISA-N 1 0 348.447 2.694 20 5 EFBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861916871 1302247628 /nfs/dbraw/zinc/24/76/28/1302247628.db2.gz VUIPGQVTRVDBSL-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001097077875 1313840749 /nfs/dbraw/zinc/84/07/49/1313840749.db2.gz DPTCWUBFNBSGPN-SHTZXODSSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000795487439 1302444723 /nfs/dbraw/zinc/44/47/23/1302444723.db2.gz XXQIOUGXDUFPSZ-KCTSRDHCSA-N 1 0 348.424 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000862792473 1302460654 /nfs/dbraw/zinc/46/06/54/1302460654.db2.gz WAPFNKCCRFEXKT-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864960787 1303102311 /nfs/dbraw/zinc/10/23/11/1303102311.db2.gz MZCUQMLXSJGQBM-CYBMUJFWSA-N 1 0 339.411 2.903 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000865030152 1303127459 /nfs/dbraw/zinc/12/74/59/1303127459.db2.gz YUYGGALKRMIMFY-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865046471 1303136602 /nfs/dbraw/zinc/13/66/02/1303136602.db2.gz KHGUTQBPMSVLOW-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO CN1CC[N@H+](C)C[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865535981 1303300296 /nfs/dbraw/zinc/30/02/96/1303300296.db2.gz XRYLYPLANMSGEX-SECBINFHSA-N 1 0 333.219 2.559 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(C(F)F)c1 ZINC000865579777 1303318454 /nfs/dbraw/zinc/31/84/54/1303318454.db2.gz FQQGCPGBVCTYRZ-UHFFFAOYSA-N 1 0 341.358 2.833 20 5 EFBDRO C[C@H](CCNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+]1CCCCC1 ZINC000865675078 1303362115 /nfs/dbraw/zinc/36/21/15/1303362115.db2.gz JJJGBNSPNJGSPI-GFCCVEGCSA-N 1 0 325.384 2.903 20 5 EFBDRO Cc1cc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001097205559 1313907761 /nfs/dbraw/zinc/90/77/61/1313907761.db2.gz UBIYLADYMSPMSO-IYBDPMFKSA-N 1 0 348.447 2.694 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865841108 1303424499 /nfs/dbraw/zinc/42/44/99/1303424499.db2.gz RZTDBYKVRVYCJP-AWEZNQCLSA-N 1 0 337.395 2.657 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(C(F)F)c1 ZINC000865843211 1303425662 /nfs/dbraw/zinc/42/56/62/1303425662.db2.gz LBYGFXAWQMHIMC-LBPRGKRZSA-N 1 0 329.347 2.791 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865930475 1303459596 /nfs/dbraw/zinc/45/95/96/1303459596.db2.gz UNDLBJGVDGZDBA-LLVKDONJSA-N 1 0 325.384 2.759 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097231222 1313921605 /nfs/dbraw/zinc/92/16/05/1313921605.db2.gz VKABOTGKPLSWPW-OKILXGFUSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000866218899 1303568577 /nfs/dbraw/zinc/56/85/77/1303568577.db2.gz AVDCZYOYDYRZEV-BBRMVZONSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCCC1=O ZINC000866261209 1303585422 /nfs/dbraw/zinc/58/54/22/1303585422.db2.gz OXNFMSMBMOLOTO-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO COc1ccccc1[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298169 1303593603 /nfs/dbraw/zinc/59/36/03/1303593603.db2.gz UIYSAKGVESSQIG-WBMJQRKESA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298168 1303594241 /nfs/dbraw/zinc/59/42/41/1303594241.db2.gz UIYSAKGVESSQIG-MLGOLLRUSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNC(=O)C1CCC1 ZINC000866302293 1303595139 /nfs/dbraw/zinc/59/51/39/1303595139.db2.gz GGTCXYABQPBJFT-LBPRGKRZSA-N 1 0 337.395 2.561 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)n1 ZINC000866309069 1303598271 /nfs/dbraw/zinc/59/82/71/1303598271.db2.gz BOOWKHWSAKEFOZ-GFCCVEGCSA-N 1 0 332.379 2.916 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000866386412 1303620285 /nfs/dbraw/zinc/62/02/85/1303620285.db2.gz FOMPWAFUHNHINC-ICQLTDNFSA-N 1 0 342.436 2.944 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000866396275 1303622223 /nfs/dbraw/zinc/62/22/23/1303622223.db2.gz QYPNYOHUUPSNEZ-BXUZGUMPSA-N 1 0 345.365 2.984 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000866397975 1303622710 /nfs/dbraw/zinc/62/27/10/1303622710.db2.gz LDLGURWTHHFTNW-BDJLRTHQSA-N 1 0 343.358 2.818 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121228896 1303789936 /nfs/dbraw/zinc/78/99/36/1303789936.db2.gz AGPZUCIHXHSTDG-HNNXBMFYSA-N 1 0 345.447 2.874 20 5 EFBDRO C[C@H](Cc1cccs1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943143 1304031030 /nfs/dbraw/zinc/03/10/30/1304031030.db2.gz MZRSYNUVDGZDLR-BDJLRTHQSA-N 1 0 333.413 2.578 20 5 EFBDRO C[C@@H](Cc1cccs1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943146 1304031577 /nfs/dbraw/zinc/03/15/77/1304031577.db2.gz MZRSYNUVDGZDLR-ZBEGNZNMSA-N 1 0 333.413 2.578 20 5 EFBDRO CC[C@H](Cc1ccccc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945739 1304033487 /nfs/dbraw/zinc/03/34/87/1304033487.db2.gz HVZRAHJPOHPMLS-APWZRJJASA-N 1 0 341.411 2.906 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947040 1304035031 /nfs/dbraw/zinc/03/50/31/1304035031.db2.gz NSXIQCDWYFHIOC-FZKQIMNGSA-N 1 0 327.384 2.955 20 5 EFBDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947398 1304035375 /nfs/dbraw/zinc/03/53/75/1304035375.db2.gz FDEVMBKSBULBHK-IEBWSBKVSA-N 1 0 339.395 2.881 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947041 1304035851 /nfs/dbraw/zinc/03/58/51/1304035851.db2.gz NSXIQCDWYFHIOC-SCLBCKFNSA-N 1 0 327.384 2.955 20 5 EFBDRO Cc1ccc([C@H](C)CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867950739 1304037819 /nfs/dbraw/zinc/03/78/19/1304037819.db2.gz ZXIXGTHIICPHBO-KUHUBIRLSA-N 1 0 341.411 2.997 20 5 EFBDRO Cc1ccc([C@H](C)CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867950735 1304038400 /nfs/dbraw/zinc/03/84/00/1304038400.db2.gz ZXIXGTHIICPHBO-AUUYWEPGSA-N 1 0 341.411 2.997 20 5 EFBDRO CC(C)(CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867952519 1304039081 /nfs/dbraw/zinc/03/90/81/1304039081.db2.gz BMBKZIUALBBPAH-IBGZPJMESA-N 1 0 341.411 2.863 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867982970 1304056986 /nfs/dbraw/zinc/05/69/86/1304056986.db2.gz YQGNEBTUXQGHKN-SCTDSRPQSA-N 1 0 339.395 2.749 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868160223 1304162564 /nfs/dbraw/zinc/16/25/64/1304162564.db2.gz NJQGCKKTXLOFPX-UBSAEIQESA-N 1 0 332.404 2.809 20 5 EFBDRO C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000868529289 1304341199 /nfs/dbraw/zinc/34/11/99/1304341199.db2.gz KKVJJDMHUBHLEC-CYBMUJFWSA-N 1 0 349.406 2.609 20 5 EFBDRO Cc1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122278315 1304436568 /nfs/dbraw/zinc/43/65/68/1304436568.db2.gz JXTPYEZYQQBOPU-OAHLLOKOSA-N 1 0 342.399 2.863 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000796538245 1306165542 /nfs/dbraw/zinc/16/55/42/1306165542.db2.gz NQORHKRQPRBKPT-UHFFFAOYSA-N 1 0 327.331 2.963 20 5 EFBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796551365 1306287246 /nfs/dbraw/zinc/28/72/46/1306287246.db2.gz XOFWCBZOVNEZHE-MRXNPFEDSA-N 1 0 335.404 2.690 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000748744681 1314119346 /nfs/dbraw/zinc/11/93/46/1314119346.db2.gz RNQRMWCYCHHLQW-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000748807407 1314133627 /nfs/dbraw/zinc/13/36/27/1314133627.db2.gz YUHYEORPTJRYRW-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218483897 1315202793 /nfs/dbraw/zinc/20/27/93/1315202793.db2.gz JTHYNYGCHRHLEC-HQJQHLMTSA-N 1 0 333.157 2.873 20 5 EFBDRO c1ccc2cc3c(cc2c1)ncnc3-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241897407 1314162030 /nfs/dbraw/zinc/16/20/30/1314162030.db2.gz AGWHYEWPIBGEMJ-UHFFFAOYSA-N 1 0 342.406 2.650 20 5 EFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2CCCCC2)CC1 ZINC001045437098 1307337521 /nfs/dbraw/zinc/33/75/21/1307337521.db2.gz DFHBENRYEJASRI-HZPDHXFCSA-N 1 0 337.464 2.593 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900009425 1307595267 /nfs/dbraw/zinc/59/52/67/1307595267.db2.gz HXLCPIZJBAGPJL-JTQLQIEISA-N 1 0 329.759 2.601 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900517135 1308246478 /nfs/dbraw/zinc/24/64/78/1308246478.db2.gz HDKNZRVMEVGKRN-UHFFFAOYSA-N 1 0 343.786 2.944 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900526475 1308259880 /nfs/dbraw/zinc/25/98/80/1308259880.db2.gz CKQKQHOHRSILID-JTQLQIEISA-N 1 0 329.759 2.554 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900560220 1308314548 /nfs/dbraw/zinc/31/45/48/1308314548.db2.gz HXLRTSUYDHCQBY-UHFFFAOYSA-N 1 0 329.759 2.555 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900819520 1308726323 /nfs/dbraw/zinc/72/63/23/1308726323.db2.gz JHUKTDHSWLLZSN-SKDRFNHKSA-N 1 0 343.786 2.800 20 5 EFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000900832482 1308739662 /nfs/dbraw/zinc/73/96/62/1308739662.db2.gz SOKUIJVUBSXPGA-SNVBAGLBSA-N 1 0 329.759 2.554 20 5 EFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000801040765 1308938853 /nfs/dbraw/zinc/93/88/53/1308938853.db2.gz ZNPAWECGOSKHJN-OAHLLOKOSA-N 1 0 348.447 2.653 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519346 1310439823 /nfs/dbraw/zinc/43/98/23/1310439823.db2.gz MDHPCPYHBNAABC-OAHLLOKOSA-N 1 0 339.411 2.667 20 5 EFBDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801520215 1310443863 /nfs/dbraw/zinc/44/38/63/1310443863.db2.gz NVYSAZQQOZEZGI-UHFFFAOYSA-N 1 0 331.347 2.612 20 5 EFBDRO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000801601068 1310582929 /nfs/dbraw/zinc/58/29/29/1310582929.db2.gz AJJUDZFMCFWOEF-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])nc2)CC1 ZINC001210948807 1314414704 /nfs/dbraw/zinc/41/47/04/1314414704.db2.gz DIBWMIWIJQGSIN-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc(-c2ccccc2)c1 ZINC001222117586 1311087092 /nfs/dbraw/zinc/08/70/92/1311087092.db2.gz MWEOKJXOFXQOQB-LJQANCHMSA-N 1 0 328.432 2.854 20 5 EFBDRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222247596 1311105107 /nfs/dbraw/zinc/10/51/07/1311105107.db2.gz OACOXJVCKONCPD-UHFFFAOYSA-N 1 0 341.358 2.578 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000751304009 1311116928 /nfs/dbraw/zinc/11/69/28/1311116928.db2.gz PIVLYPDDNIABKT-HNNXBMFYSA-N 1 0 345.374 2.637 20 5 EFBDRO O=C1CN(Cc2c3ccccc3cc3ccccc32)[C@@]2(CC[NH2+]C2)CN1 ZINC001222372579 1311120938 /nfs/dbraw/zinc/12/09/38/1311120938.db2.gz CETFTXPGQDAUEE-JOCHJYFZSA-N 1 0 345.446 2.657 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223221486 1311231617 /nfs/dbraw/zinc/23/16/17/1311231617.db2.gz CWHHKWZNNRTAAP-ONIAQPFYSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)c1c(COC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001223296075 1311239565 /nfs/dbraw/zinc/23/95/65/1311239565.db2.gz XAQGZZHPXFKOBM-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1ccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001223414876 1311257911 /nfs/dbraw/zinc/25/79/11/1311257911.db2.gz RMZIPYKARGIGOT-XOIINTDNSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1ccc(COC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001223413337 1311258047 /nfs/dbraw/zinc/25/80/47/1311258047.db2.gz KYOJLCWBWCLYLZ-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001223448277 1311262283 /nfs/dbraw/zinc/26/22/83/1311262283.db2.gz IOWHWSCSZMVMLF-LAQFHYBYSA-N 1 0 348.399 2.628 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3c(C)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001223539288 1311273093 /nfs/dbraw/zinc/27/30/93/1311273093.db2.gz PDCWKICFIZIILH-LBTBCDHLSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)[C@@H](OC1CCC([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223643966 1311285957 /nfs/dbraw/zinc/28/59/57/1311285957.db2.gz RGOWTCXWYTVQPQ-ZUEPYMLJSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cccc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001223665061 1311289082 /nfs/dbraw/zinc/28/90/82/1311289082.db2.gz IKRZMLZKCDKIML-LAQFHYBYSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1cc(CO[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223691950 1311293235 /nfs/dbraw/zinc/29/32/35/1311293235.db2.gz XOKAHECROROEFR-INIZCTEOSA-N 1 0 336.388 2.771 20 5 EFBDRO O=C(CCCF)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224105816 1311342681 /nfs/dbraw/zinc/34/26/81/1311342681.db2.gz LOSRSRBGFRTWLL-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224115293 1311344775 /nfs/dbraw/zinc/34/47/75/1311344775.db2.gz SOJVUEOOSMNOEB-DZGCQCFKSA-N 1 0 328.372 2.737 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224205715 1311360848 /nfs/dbraw/zinc/36/08/48/1311360848.db2.gz LKPYVMFQLHXABR-OAHLLOKOSA-N 1 0 330.384 2.985 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2cccnc12 ZINC001158748627 1311379604 /nfs/dbraw/zinc/37/96/04/1311379604.db2.gz HAUWIHICUFVPBC-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001158748911 1311379735 /nfs/dbraw/zinc/37/97/35/1311379735.db2.gz PIUCKCHLBQJTOY-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO COc1cc2ncnc(NC(C)(C)CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001158757041 1311381424 /nfs/dbraw/zinc/38/14/24/1311381424.db2.gz ISYDFPYPNORHCI-UHFFFAOYSA-N 1 0 333.392 2.689 20 5 EFBDRO CC(C)C(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001158822584 1311395882 /nfs/dbraw/zinc/39/58/82/1311395882.db2.gz NHTLBTOGOGATCI-UHFFFAOYSA-N 1 0 327.450 2.934 20 5 EFBDRO CSc1nc(Cl)nc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001158826668 1311396611 /nfs/dbraw/zinc/39/66/11/1311396611.db2.gz GDYDTIFBJDAJKK-UHFFFAOYSA-N 1 0 343.840 2.658 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](OCCC[N+](C)(C)C)C[C@H]21 ZINC001224622489 1311414575 /nfs/dbraw/zinc/41/45/75/1311414575.db2.gz GYYMPCOTLSJRHI-BZUAXINKSA-N 1 0 327.489 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621111 1311414648 /nfs/dbraw/zinc/41/46/48/1311414648.db2.gz MMDYZPNCPMIIMF-ZDUSSCGKSA-N 1 0 337.431 2.744 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](OCCC[N+](C)(C)C)[C@H]2C1 ZINC001224620723 1311414651 /nfs/dbraw/zinc/41/46/51/1311414651.db2.gz BXTQUMPJINSNCE-HRCADAONSA-N 1 0 327.489 2.745 20 5 EFBDRO C[N+](C)(C)CCCOC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001224622423 1311414794 /nfs/dbraw/zinc/41/47/94/1311414794.db2.gz GLUYRBWLTRWUTE-UHFFFAOYSA-N 1 0 347.405 2.577 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](OCCC[N+](C)(C)C)C2 ZINC001224623489 1311415008 /nfs/dbraw/zinc/41/50/08/1311415008.db2.gz OBJZWXUYBFJBNK-OAHLLOKOSA-N 1 0 327.489 2.889 20 5 EFBDRO C[N+](C)(C)CCCOC[C@H]1Cc2cccc(Br)c2O1 ZINC001224624814 1311415383 /nfs/dbraw/zinc/41/53/83/1311415383.db2.gz ZRMGOGFMFBBBLS-CYBMUJFWSA-N 1 0 329.258 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+]C3(CC3)C2)nc1-c1ccc(F)cc1 ZINC001158944225 1311421927 /nfs/dbraw/zinc/42/19/27/1311421927.db2.gz IPMXVGDNQXOBOV-UHFFFAOYSA-N 1 0 328.347 2.738 20 5 EFBDRO Clc1ccc2ccc3ccc(NC[C@H]4COCC[NH2+]4)nc3c2n1 ZINC001159044054 1311440502 /nfs/dbraw/zinc/44/05/02/1311440502.db2.gz NIUZXXBEMPSCCK-ZDUSSCGKSA-N 1 0 328.803 2.837 20 5 EFBDRO O=[N+]([O-])C[C@H](OCCC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC001224859787 1311443528 /nfs/dbraw/zinc/44/35/28/1311443528.db2.gz LINRYDZWUCPAAI-KRWDZBQOSA-N 1 0 336.388 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)c(Cl)c1 ZINC001159121909 1311454907 /nfs/dbraw/zinc/45/49/07/1311454907.db2.gz QJHSICCVPDDLHM-UHFFFAOYSA-N 1 0 333.779 2.796 20 5 EFBDRO CC(C)(C)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001225222059 1311491266 /nfs/dbraw/zinc/49/12/66/1311491266.db2.gz QPEXVEVBYOONGU-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC001225264052 1311497267 /nfs/dbraw/zinc/49/72/67/1311497267.db2.gz LQCOKEQJLXXXOX-GOSISDBHSA-N 1 0 328.432 2.640 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159344180 1311499399 /nfs/dbraw/zinc/49/93/99/1311499399.db2.gz PAFWERCWYSKXJB-UHFFFAOYSA-N 1 0 343.387 2.815 20 5 EFBDRO CCc1ncsc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001159446529 1311517722 /nfs/dbraw/zinc/51/77/22/1311517722.db2.gz NERBJVBAFTZPQL-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO C[C@H](Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159500998 1311528097 /nfs/dbraw/zinc/52/80/97/1311528097.db2.gz UWJFUATWANOLHL-TVQRCGJNSA-N 1 0 336.779 2.585 20 5 EFBDRO COc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159572045 1311543338 /nfs/dbraw/zinc/54/33/38/1311543338.db2.gz YGBKZQPBTCCPLT-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1[nH]ccc1C1CC1 ZINC001159614393 1311552375 /nfs/dbraw/zinc/55/23/75/1311552375.db2.gz BGQVLFRGXAVOIO-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225615708 1311554039 /nfs/dbraw/zinc/55/40/39/1311554039.db2.gz DCRVOMNFZBKKFN-OTVXOJSOSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628945 1311556211 /nfs/dbraw/zinc/55/62/11/1311556211.db2.gz AHUICWRPKMUYJH-UONOGXRCSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@H](Oc1ccc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225631910 1311556832 /nfs/dbraw/zinc/55/68/32/1311556832.db2.gz ILMVMSLGVSETQE-WMLDXEAASA-N 1 0 343.383 2.658 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC001225673373 1311563258 /nfs/dbraw/zinc/56/32/58/1311563258.db2.gz ZWKIOCBYJLUIFO-SECBINFHSA-N 1 0 340.749 2.721 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(F)c(F)cc3[N+](=O)[O-])O2)CC1 ZINC001225777287 1311575484 /nfs/dbraw/zinc/57/54/84/1311575484.db2.gz SFCKQUBLEGRZIW-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])CC1 ZINC000902258136 1311584371 /nfs/dbraw/zinc/58/43/71/1311584371.db2.gz FWLYYQWPPWDGDI-UHFFFAOYSA-N 1 0 344.415 2.539 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001225889221 1311586685 /nfs/dbraw/zinc/58/66/85/1311586685.db2.gz KKCREHYPLOSKNG-UHFFFAOYSA-N 1 0 325.296 2.648 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225954418 1311594772 /nfs/dbraw/zinc/59/47/72/1311594772.db2.gz WCIGIWYOMQINDN-LLVKDONJSA-N 1 0 334.294 2.713 20 5 EFBDRO C[NH+](C)CC[C@@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC001226169077 1311623516 /nfs/dbraw/zinc/62/35/16/1311623516.db2.gz XSXAZAUNADCIAI-MRXNPFEDSA-N 1 0 343.383 2.766 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC001226169076 1311623651 /nfs/dbraw/zinc/62/36/51/1311623651.db2.gz XSXAZAUNADCIAI-INIZCTEOSA-N 1 0 343.383 2.766 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC001159995061 1311625563 /nfs/dbraw/zinc/62/55/63/1311625563.db2.gz YCBBKNXDDAKQHY-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c(N)n3)c2c1 ZINC001160012798 1311628262 /nfs/dbraw/zinc/62/82/62/1311628262.db2.gz SMUPCZBCKJDXEW-LLVKDONJSA-N 1 0 325.372 2.714 20 5 EFBDRO COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226196265 1311628500 /nfs/dbraw/zinc/62/85/00/1311628500.db2.gz ONBMKTLLHRPRPM-UHFFFAOYSA-N 1 0 332.759 2.877 20 5 EFBDRO COC(=O)Cc1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226215502 1311631474 /nfs/dbraw/zinc/63/14/74/1311631474.db2.gz XLBKACSSLQEUJZ-UHFFFAOYSA-N 1 0 336.388 2.562 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001226256855 1311637520 /nfs/dbraw/zinc/63/75/20/1311637520.db2.gz ZDOYWEGXQOSYLT-AULYBMBSSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001160108207 1311644998 /nfs/dbraw/zinc/64/49/98/1311644998.db2.gz HKMQPSUNUYFGFX-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO [NH3+]CCc1cc2ccccc2n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160123989 1311648318 /nfs/dbraw/zinc/64/83/18/1311648318.db2.gz GTPLMAGQEWUDGO-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO COc1cc(C)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160123576 1311648376 /nfs/dbraw/zinc/64/83/76/1311648376.db2.gz AGQUUJNVAALQQJ-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160127848 1311648548 /nfs/dbraw/zinc/64/85/48/1311648548.db2.gz GVWJTIJWBXAYLN-CYBMUJFWSA-N 1 0 333.319 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(O)c1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001226340354 1311651563 /nfs/dbraw/zinc/65/15/63/1311651563.db2.gz NZAQRDYKAHBKHQ-OAHLLOKOSA-N 1 0 344.367 2.580 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160141308 1311653293 /nfs/dbraw/zinc/65/32/93/1311653293.db2.gz HRVJBTDPFBAXCK-CQSZACIVSA-N 1 0 333.319 2.924 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2cccc3sccc32)nc1C1C[NH2+]C1 ZINC001160186919 1311661415 /nfs/dbraw/zinc/66/14/15/1311661415.db2.gz JLZYXDMMWPLKLG-UHFFFAOYSA-N 1 0 341.396 2.898 20 5 EFBDRO CC(C)Oc1nc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160198746 1311663212 /nfs/dbraw/zinc/66/32/12/1311663212.db2.gz ALFQRVHSNGZBAL-GFCCVEGCSA-N 1 0 344.371 2.635 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1 ZINC001226443385 1311668209 /nfs/dbraw/zinc/66/82/09/1311668209.db2.gz UDCBVFOXXJGIHM-AWEZNQCLSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001226444501 1311668997 /nfs/dbraw/zinc/66/89/97/1311668997.db2.gz JOTUBSKGLDNFLR-OKILXGFUSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cc2ncnc(-n3ccc4cccc(C[NH3+])c43)c2cc1[N+](=O)[O-] ZINC001160457034 1311713457 /nfs/dbraw/zinc/71/34/57/1311713457.db2.gz XOMJZIDTIGXNMX-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226729190 1311714623 /nfs/dbraw/zinc/71/46/23/1311714623.db2.gz BPBXFQUTZKGHTR-BBRMVZONSA-N 1 0 328.372 2.674 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001226733708 1311715061 /nfs/dbraw/zinc/71/50/61/1311715061.db2.gz SHPSPPTYOAGUKI-USXIJHARSA-N 1 0 340.383 2.674 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3c(F)cc([N+](=O)[O-])cc3F)O2)CC1 ZINC001226744784 1311717306 /nfs/dbraw/zinc/71/73/06/1311717306.db2.gz UCKBJZNAAHWHKF-LBPRGKRZSA-N 1 0 342.342 2.895 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC001226763701 1311719422 /nfs/dbraw/zinc/71/94/22/1311719422.db2.gz ZVLSRTNIMVWGID-GOSISDBHSA-N 1 0 328.368 2.875 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001226764574 1311719951 /nfs/dbraw/zinc/71/99/51/1311719951.db2.gz LFLYDUPVUGWPJX-DZGCQCFKSA-N 1 0 328.372 2.908 20 5 EFBDRO CN(C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)C1COC1 ZINC001160541584 1311732187 /nfs/dbraw/zinc/73/21/87/1311732187.db2.gz CUJWBUUSEOJEIK-FQEVSTJZSA-N 1 0 334.419 2.720 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226914942 1311739862 /nfs/dbraw/zinc/73/98/62/1311739862.db2.gz BMTRMQCQCXYZKW-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO COC(=O)c1cc(Cl)c(NC(C)=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001226923808 1311742009 /nfs/dbraw/zinc/74/20/09/1311742009.db2.gz STMVNRHAFQXHRS-SNVBAGLBSA-O 1 0 343.831 2.559 20 5 EFBDRO COc1cnc(N(Cc2ccccc2)C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001160661316 1311753953 /nfs/dbraw/zinc/75/39/53/1311753953.db2.gz FUYMFYHXMJCZQT-CYBMUJFWSA-N 1 0 330.388 2.600 20 5 EFBDRO COc1cc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC001160662983 1311754273 /nfs/dbraw/zinc/75/42/73/1311754273.db2.gz WEIJTXHNBSYXSF-ZDUSSCGKSA-N 1 0 330.388 2.600 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)n1 ZINC001227064012 1311757705 /nfs/dbraw/zinc/75/77/05/1311757705.db2.gz JVUMCAGBRKSIMR-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CCO1 ZINC001160734710 1311771488 /nfs/dbraw/zinc/77/14/88/1311771488.db2.gz HPSMECYABUIRCL-HXUWFJFHSA-N 1 0 334.419 2.940 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1Cl ZINC001160737094 1311771695 /nfs/dbraw/zinc/77/16/95/1311771695.db2.gz OEMNNTBDUQGOBQ-HTQZYQBOSA-N 1 0 338.717 2.904 20 5 EFBDRO Cc1cc(Cl)nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738283 1311771940 /nfs/dbraw/zinc/77/19/40/1311771940.db2.gz SIYWNLUHFXPPSJ-YUMQZZPRSA-N 1 0 338.717 2.904 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160738744 1311772017 /nfs/dbraw/zinc/77/20/17/1311772017.db2.gz UWQQZZJXPLSIPD-IONNQARKSA-N 1 0 338.717 2.904 20 5 EFBDRO O=[N+]([O-])c1cccc2oc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)nc21 ZINC001227238651 1311780947 /nfs/dbraw/zinc/78/09/47/1311780947.db2.gz OWCZXIQWYJJYBM-JOCQHMNTSA-N 1 0 347.371 2.758 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Br)nc1[N+](=O)[O-])C2 ZINC001227256091 1311783849 /nfs/dbraw/zinc/78/38/49/1311783849.db2.gz BPUMEJVPGCPMJL-ILWJIGKKSA-N 1 0 342.193 2.756 20 5 EFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902485032 1311787851 /nfs/dbraw/zinc/78/78/51/1311787851.db2.gz YIBGPWRZQOLCTM-DOTOQJQBSA-N 1 0 343.431 2.540 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227285408 1311788363 /nfs/dbraw/zinc/78/83/63/1311788363.db2.gz BNURNLUWTSQHJC-CYBMUJFWSA-N 1 0 345.168 2.969 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001227284761 1311788390 /nfs/dbraw/zinc/78/83/90/1311788390.db2.gz PPKKJFLMNJRDAK-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO C[C@@H](C[NH+](C)C)Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001227307375 1311791817 /nfs/dbraw/zinc/79/18/17/1311791817.db2.gz WINUURRPHNXBRP-JTQLQIEISA-N 1 0 329.352 2.686 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001227309421 1311792281 /nfs/dbraw/zinc/79/22/81/1311792281.db2.gz LAXPNANMEFYQNQ-NSHDSACASA-O 1 0 344.387 2.831 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(C(C)(C)C[NH3+])c2ccccc21 ZINC001160845851 1311795864 /nfs/dbraw/zinc/79/58/64/1311795864.db2.gz XQECCXJUXVWICL-UHFFFAOYSA-N 1 0 340.383 2.717 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001227544653 1311819499 /nfs/dbraw/zinc/81/94/99/1311819499.db2.gz PMBVERKBMXODPA-IWIIMEHWSA-N 1 0 340.401 2.552 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001160963840 1311822792 /nfs/dbraw/zinc/82/27/92/1311822792.db2.gz IVRAMUIEACRGPP-SECBINFHSA-N 1 0 334.754 2.766 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001048494035 1311823771 /nfs/dbraw/zinc/82/37/71/1311823771.db2.gz RZMJIDFZGZOMDK-ACHSLPGTSA-N 1 0 343.427 2.864 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001048495552 1311824835 /nfs/dbraw/zinc/82/48/35/1311824835.db2.gz URCBUPUXKQKRGT-AYGBPOKTSA-N 1 0 343.427 2.864 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001048495150 1311825029 /nfs/dbraw/zinc/82/50/29/1311825029.db2.gz SGTMQCZDEHDOFK-GBEXYDAJSA-N 1 0 343.427 2.864 20 5 EFBDRO O=[N+]([O-])c1cccc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)n1 ZINC001161130276 1311865623 /nfs/dbraw/zinc/86/56/23/1311865623.db2.gz KIGIZGJIQLBEQH-UHFFFAOYSA-N 1 0 328.372 2.772 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161129347 1311865639 /nfs/dbraw/zinc/86/56/39/1311865639.db2.gz DZSRAOKEOBBIRL-UHFFFAOYSA-N 1 0 346.362 2.911 20 5 EFBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001161136671 1311867806 /nfs/dbraw/zinc/86/78/06/1311867806.db2.gz WACCVEFEAQOFIL-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO COCCC1(CNc2ncc([N+](=O)[O-])c3ccccc32)CC[NH2+]CC1 ZINC001161503546 1311902064 /nfs/dbraw/zinc/90/20/64/1311902064.db2.gz NLCARPMVXNCJSC-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO COCCC1(CNc2nccc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC001161502845 1311902180 /nfs/dbraw/zinc/90/21/80/1311902180.db2.gz NYMCJURASKBGNH-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO Cc1nc(Cl)nc(N2CCC([NH3+])(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161569108 1311918524 /nfs/dbraw/zinc/91/85/24/1311918524.db2.gz BZUMGELVVKBFQJ-UHFFFAOYSA-N 1 0 339.827 2.835 20 5 EFBDRO C[C@@H](CCc1ccccc1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161612909 1311931262 /nfs/dbraw/zinc/93/12/62/1311931262.db2.gz NJVZLTLZHXHBBE-LBPRGKRZSA-N 1 0 327.388 2.505 20 5 EFBDRO Cc1ccc2c(ccnc2NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161704052 1311955538 /nfs/dbraw/zinc/95/55/38/1311955538.db2.gz ZUDAXIRKUABBHE-UHFFFAOYSA-N 1 0 343.431 2.501 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc4nc5ccccc5nc43)[C@H]1CC(=O)C2 ZINC001228518610 1311959827 /nfs/dbraw/zinc/95/98/27/1311959827.db2.gz HCNUEMPTACFGEH-WILYLXEWSA-N 1 0 333.391 2.966 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c(CN(C)C)c1 ZINC001228544986 1311962783 /nfs/dbraw/zinc/96/27/83/1311962783.db2.gz CHWYUYWHYPLXDX-GFCCVEGCSA-N 1 0 330.290 2.984 20 5 EFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607833 1311963347 /nfs/dbraw/zinc/96/33/47/1311963347.db2.gz NCEZBGXVDLHEFK-BRSBDYLESA-N 1 0 349.475 2.664 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC001161752269 1311965308 /nfs/dbraw/zinc/96/53/08/1311965308.db2.gz QOELYNOGHNZGLV-UHFFFAOYSA-N 1 0 348.492 2.542 20 5 EFBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC001228624368 1311971838 /nfs/dbraw/zinc/97/18/38/1311971838.db2.gz ZYZDPTWYHXNNFU-MRVPVSSYSA-N 1 0 333.206 2.534 20 5 EFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820824 1311981326 /nfs/dbraw/zinc/98/13/26/1311981326.db2.gz PJTXVZZQGLBECB-QGZVFWFLSA-N 1 0 346.362 2.520 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001228688640 1311982479 /nfs/dbraw/zinc/98/24/79/1311982479.db2.gz LXIKGPODRWTCSA-LRDDRELGSA-N 1 0 343.383 2.903 20 5 EFBDRO CC(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048649787 1312005797 /nfs/dbraw/zinc/00/57/97/1312005797.db2.gz VYMXNBJIPDJYNC-IYBDPMFKSA-N 1 0 331.416 2.531 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cccc(Br)c21 ZINC001228856661 1312011262 /nfs/dbraw/zinc/01/12/62/1312011262.db2.gz GHVMPYUZKXOUDC-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO [NH3+]C1(Cc2ccccc2F)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001161986647 1312021675 /nfs/dbraw/zinc/02/16/75/1312021675.db2.gz APEXKAMUNJRWAF-UHFFFAOYSA-N 1 0 348.353 2.808 20 5 EFBDRO COc1cccc(C2(Nc3ncc([N+](=O)[O-])cc3C)CC[NH2+]CC2)c1 ZINC001161992067 1312024143 /nfs/dbraw/zinc/02/41/43/1312024143.db2.gz IABIJUWNMLVKLS-UHFFFAOYSA-N 1 0 342.399 2.998 20 5 EFBDRO Cc1c[n+]([O-])c(N(CC[NH3+])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001162005077 1312027058 /nfs/dbraw/zinc/02/70/58/1312027058.db2.gz UEEOIAIDGGMIFF-UHFFFAOYSA-N 1 0 338.367 2.787 20 5 EFBDRO COCCC1([NH3+])CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001162041576 1312036985 /nfs/dbraw/zinc/03/69/85/1312036985.db2.gz MRWAOHVPTHUFEA-UHFFFAOYSA-N 1 0 344.415 2.786 20 5 EFBDRO COc1cccc(CC2([NH3+])CCN(c3cc([N+](=O)[O-])ccn3)CC2)c1 ZINC001162045013 1312037366 /nfs/dbraw/zinc/03/73/66/1312037366.db2.gz FCKKLMIJYBAVGX-UHFFFAOYSA-N 1 0 342.399 2.539 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001162076039 1312042669 /nfs/dbraw/zinc/04/26/69/1312042669.db2.gz XEOQDPLGQIHVQA-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(NC(C)=O)c([N+](=O)[O-])cc2C(C)=O)C1 ZINC001229128495 1312051165 /nfs/dbraw/zinc/05/11/65/1312051165.db2.gz WXWXVBRIJOIYOI-CYBMUJFWSA-N 1 0 349.387 2.619 20 5 EFBDRO CC[NH+]1CCC(Oc2cc(NC(C)=O)c([N+](=O)[O-])cc2C(C)=O)CC1 ZINC001229128645 1312051226 /nfs/dbraw/zinc/05/12/26/1312051226.db2.gz BGXVLCBRUXZNKD-UHFFFAOYSA-N 1 0 349.387 2.619 20 5 EFBDRO CC(=O)c1cccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001229136765 1312052493 /nfs/dbraw/zinc/05/24/93/1312052493.db2.gz CZUVSMKIRMTRSZ-GASCZTMLSA-N 1 0 348.399 2.820 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1N(CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162187466 1312064290 /nfs/dbraw/zinc/06/42/90/1312064290.db2.gz SVGYKMJGASBHHZ-HDJSIYSDSA-N 1 0 333.436 2.839 20 5 EFBDRO Cc1cnc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001162195163 1312065477 /nfs/dbraw/zinc/06/54/77/1312065477.db2.gz MVNGTENUJZGAOF-WKILWMFISA-N 1 0 341.415 2.970 20 5 EFBDRO O=C(CC1CCC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048742277 1312093213 /nfs/dbraw/zinc/09/32/13/1312093213.db2.gz SVLLWTPHHCZAMA-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc(F)cc2)cc1 ZINC001229449264 1312098316 /nfs/dbraw/zinc/09/83/16/1312098316.db2.gz IBAOIVACQIWNEI-QGZVFWFLSA-N 1 0 332.395 2.855 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452654 1312098614 /nfs/dbraw/zinc/09/86/14/1312098614.db2.gz VOFVMJWLRGSNDO-YOEHRIQHSA-N 1 0 343.383 2.518 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3nc4cc([N+](=O)[O-])ccc4o3)O2)CC1 ZINC001229483780 1312103283 /nfs/dbraw/zinc/10/32/83/1312103283.db2.gz BGEUADFMOJQEDQ-CYBMUJFWSA-N 1 0 347.371 2.758 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162453458 1312106334 /nfs/dbraw/zinc/10/63/34/1312106334.db2.gz KLYJXQLKCILAEN-GXSJLCMTSA-N 1 0 339.827 2.963 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162453463 1312106362 /nfs/dbraw/zinc/10/63/62/1312106362.db2.gz KLYJXQLKCILAEN-ONGXEEELSA-N 1 0 339.827 2.963 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162467470 1312109265 /nfs/dbraw/zinc/10/92/65/1312109265.db2.gz QQHYAROSBBKNKJ-QWHCGFSZSA-N 1 0 335.404 2.819 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162472340 1312109607 /nfs/dbraw/zinc/10/96/07/1312109607.db2.gz WUIROIAJYKYDFD-KGLIPLIRSA-N 1 0 332.448 2.630 20 5 EFBDRO O=C(C=C1CCC1)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048758990 1312111420 /nfs/dbraw/zinc/11/14/20/1312111420.db2.gz UNWQDMNKCYQBEH-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229559960 1312113824 /nfs/dbraw/zinc/11/38/24/1312113824.db2.gz LJQNJAOVMIOSRQ-JTQLQIEISA-N 1 0 330.182 2.615 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])C2 ZINC001229561944 1312113925 /nfs/dbraw/zinc/11/39/25/1312113925.db2.gz BORSAJOFUGECTQ-URLYPYJESA-N 1 0 342.193 2.756 20 5 EFBDRO CC(C)=C(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048761625 1312113934 /nfs/dbraw/zinc/11/39/34/1312113934.db2.gz TWJSHIGJHZIUQW-GASCZTMLSA-N 1 0 347.390 2.748 20 5 EFBDRO Cc1nc(Cl)nc(-n2cncc2-c2cccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162562524 1312124782 /nfs/dbraw/zinc/12/47/82/1312124782.db2.gz QYHJCIOXXAZFFC-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162583775 1312129746 /nfs/dbraw/zinc/12/97/46/1312129746.db2.gz RLSVVFLFMFPQAW-MRXNPFEDSA-N 1 0 339.367 2.665 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C ZINC001162601833 1312133329 /nfs/dbraw/zinc/13/33/29/1312133329.db2.gz REIVKIXNVAZAIR-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229858928 1312150641 /nfs/dbraw/zinc/15/06/41/1312150641.db2.gz ULXPXGRBKHZTHK-LLVKDONJSA-N 1 0 336.367 2.768 20 5 EFBDRO COC(=O)c1cc(Br)c(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001229960248 1312163478 /nfs/dbraw/zinc/16/34/78/1312163478.db2.gz VWCGRBCZCOVFOC-SECBINFHSA-N 1 0 349.220 2.848 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162794297 1312177539 /nfs/dbraw/zinc/17/75/39/1312177539.db2.gz OWWBQMCBNUFZTG-XHVZSJERSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001162799076 1312178190 /nfs/dbraw/zinc/17/81/90/1312178190.db2.gz WOYJTPGTWFUJTD-NURSFMCSSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc1-c1ccc(F)cc1 ZINC001162801195 1312178677 /nfs/dbraw/zinc/17/86/77/1312178677.db2.gz HIFQKXJGBPXCOK-NWANDNLSSA-N 1 0 340.358 2.982 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)c1cccs1 ZINC001230230291 1312207808 /nfs/dbraw/zinc/20/78/08/1312207808.db2.gz NGHPSIUVCXYOHQ-LBPRGKRZSA-N 1 0 347.400 2.999 20 5 EFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001230250808 1312210968 /nfs/dbraw/zinc/21/09/68/1312210968.db2.gz ACJKYTOYPBNBSA-LAQFHYBYSA-N 1 0 333.388 2.662 20 5 EFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001230250805 1312211213 /nfs/dbraw/zinc/21/12/13/1312211213.db2.gz ACJKYTOYPBNBSA-FVCICTRLSA-N 1 0 333.388 2.662 20 5 EFBDRO COc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc([N+](=O)[O-])c1C ZINC001162963056 1312212635 /nfs/dbraw/zinc/21/26/35/1312212635.db2.gz NHKQKHCXYXDVGZ-OAHLLOKOSA-N 1 0 349.431 2.873 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965829 1312213645 /nfs/dbraw/zinc/21/36/45/1312213645.db2.gz OUZIWSFVPBXMNI-HNNXBMFYSA-N 1 0 349.431 2.954 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001162969789 1312214878 /nfs/dbraw/zinc/21/48/78/1312214878.db2.gz CLAKRCZEWZFCLS-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO Cc1ccc2c(c1)[C@H](Nc1cnc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163034448 1312230410 /nfs/dbraw/zinc/23/04/10/1312230410.db2.gz RLIYGWOMPUXSOS-OAHLLOKOSA-N 1 0 339.399 2.871 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)cc1 ZINC001163051893 1312232377 /nfs/dbraw/zinc/23/23/77/1312232377.db2.gz AHMUVGTXZNKFEC-CQSZACIVSA-N 1 0 338.367 2.921 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC001163051959 1312232618 /nfs/dbraw/zinc/23/26/18/1312232618.db2.gz AVDPHYMTAUSWHD-ZDUSSCGKSA-N 1 0 338.367 2.921 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@@H](C[NH3+])CO)cc2)n1 ZINC001163053213 1312232900 /nfs/dbraw/zinc/23/29/00/1312232900.db2.gz NUKREQDKYGCKKG-NSHDSACASA-N 1 0 336.779 2.730 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001163053631 1312233035 /nfs/dbraw/zinc/23/30/35/1312233035.db2.gz STYPBFOKDMSPDT-ZDUSSCGKSA-N 1 0 338.367 2.921 20 5 EFBDRO COc1cccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163059078 1312234869 /nfs/dbraw/zinc/23/48/69/1312234869.db2.gz BGTGWFKLSFYGMA-ZDUSSCGKSA-N 1 0 330.388 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163059095 1312234893 /nfs/dbraw/zinc/23/48/93/1312234893.db2.gz BLPNPVPJJAUTMT-LLVKDONJSA-N 1 0 335.795 2.666 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163094917 1312239244 /nfs/dbraw/zinc/23/92/44/1312239244.db2.gz MVLCVRKTKZLEEQ-LVDDQXARSA-N 1 0 337.807 2.768 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)c(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001230478373 1312246009 /nfs/dbraw/zinc/24/60/09/1312246009.db2.gz XNLVCZPMMFSTEZ-OXXUSNJHSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2noc3c2C[NH2+]CC3)c(C(F)(F)F)c1 ZINC001163131416 1312248252 /nfs/dbraw/zinc/24/82/52/1312248252.db2.gz FBYBNDDXMLEQAO-UHFFFAOYSA-N 1 0 342.277 2.859 20 5 EFBDRO Cc1cc(Cl)c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163177511 1312257935 /nfs/dbraw/zinc/25/79/35/1312257935.db2.gz HLEZJTDSNSFCHT-JTNHKYCSSA-N 1 0 325.796 2.593 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cnc4cc([N+](=O)[O-])ccc4n3)cn2)cc1 ZINC001163216237 1312265645 /nfs/dbraw/zinc/26/56/45/1312265645.db2.gz VNSRZRUUQQKVGF-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO CCOc1nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ccc1[N+](=O)[O-] ZINC001163217807 1312266477 /nfs/dbraw/zinc/26/64/77/1312266477.db2.gz DECRYAWQGUSHIK-UHFFFAOYSA-N 1 0 339.355 2.700 20 5 EFBDRO CC(C)=CC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163275714 1312280234 /nfs/dbraw/zinc/28/02/34/1312280234.db2.gz KBFUDAOPWZRUJI-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2cc[nH]c21 ZINC001163276977 1312280470 /nfs/dbraw/zinc/28/04/70/1312280470.db2.gz CJOUWMCTZFUHRN-SJKOYZFVSA-N 1 0 330.388 2.647 20 5 EFBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163279264 1312281327 /nfs/dbraw/zinc/28/13/27/1312281327.db2.gz KXKHKTYOMFSJSS-PXAZEXFGSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1cc(N[C@H](C[NH3+])c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163298237 1312284255 /nfs/dbraw/zinc/28/42/55/1312284255.db2.gz ZKYUPPFKEXBJFD-QGZVFWFLSA-N 1 0 349.394 2.894 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001163306146 1312285478 /nfs/dbraw/zinc/28/54/78/1312285478.db2.gz LUGVXXZEWKDPQD-INIZCTEOSA-N 1 0 339.355 2.659 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001163306928 1312285542 /nfs/dbraw/zinc/28/55/42/1312285542.db2.gz UDDHUPDKPBFWOA-INIZCTEOSA-N 1 0 339.355 2.659 20 5 EFBDRO CC(C)(C)c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163310128 1312286355 /nfs/dbraw/zinc/28/63/55/1312286355.db2.gz KAHUOIWLHCHYEF-DYVFJYSZSA-N 1 0 334.420 2.610 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001163320955 1312289205 /nfs/dbraw/zinc/28/92/05/1312289205.db2.gz AZDMMJCNEYSAGH-SMDDNHRTSA-N 1 0 345.321 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163322016 1312289324 /nfs/dbraw/zinc/28/93/24/1312289324.db2.gz FRXCBHJJUYEAKI-IINYFYTJSA-N 1 0 345.321 2.937 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163327090 1312290185 /nfs/dbraw/zinc/29/01/85/1312290185.db2.gz IZCUYBUCMWOWTG-XSXYKPIWSA-N 1 0 337.807 2.910 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1occ2c1CCC2 ZINC001163331071 1312291500 /nfs/dbraw/zinc/29/15/00/1312291500.db2.gz TZQZNPYMDPOTQF-UHFFFAOYSA-N 1 0 343.383 2.586 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001163469171 1312319471 /nfs/dbraw/zinc/31/94/71/1312319471.db2.gz JRBHMLWQCHWWQU-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163515176 1312330190 /nfs/dbraw/zinc/33/01/90/1312330190.db2.gz YKXXWXGBFAYRRW-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113922699 1312332064 /nfs/dbraw/zinc/33/20/64/1312332064.db2.gz ZXDXLLMVDOTTAX-AWEZNQCLSA-N 1 0 345.403 2.559 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903091335 1312347270 /nfs/dbraw/zinc/34/72/70/1312347270.db2.gz RQBWUKKOMYSXMK-VHRNVKJDSA-N 1 0 331.416 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)ccc2c1 ZINC001163646842 1312353989 /nfs/dbraw/zinc/35/39/89/1312353989.db2.gz XQIMDFZLICFICW-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO CCC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)CC1 ZINC001049034593 1312384437 /nfs/dbraw/zinc/38/44/37/1312384437.db2.gz OAEMYIFWQZEPJG-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO C[NH+](C)CCOc1cc(NCc2ccccc2N)ccc1[N+](=O)[O-] ZINC001163890102 1312402705 /nfs/dbraw/zinc/40/27/05/1312402705.db2.gz QPKOPLUITFZICH-UHFFFAOYSA-N 1 0 330.388 2.730 20 5 EFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001163896879 1312403887 /nfs/dbraw/zinc/40/38/87/1312403887.db2.gz GOVAQGNAVHOSOC-UHFFFAOYSA-N 1 0 342.746 2.922 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ncnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163904210 1312405414 /nfs/dbraw/zinc/40/54/14/1312405414.db2.gz BYXFPKSDFUOTMB-UHFFFAOYSA-N 1 0 348.794 2.512 20 5 EFBDRO O=C(/C=C\C1CC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163940982 1312411709 /nfs/dbraw/zinc/41/17/09/1312411709.db2.gz VBVLAABJZRZPAW-YVMONPNESA-N 1 0 343.427 2.937 20 5 EFBDRO Cc1nc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1Br ZINC001231121247 1312436697 /nfs/dbraw/zinc/43/66/97/1312436697.db2.gz IRALBEGOMYURND-VIFPVBQESA-N 1 0 330.182 2.534 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2nc(C)c(Br)cc2[N+](=O)[O-])C1 ZINC001231121348 1312437142 /nfs/dbraw/zinc/43/71/42/1312437142.db2.gz KPMNYAPSFPEFGU-VIFPVBQESA-N 1 0 330.182 2.534 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164068752 1312440646 /nfs/dbraw/zinc/44/06/46/1312440646.db2.gz HBRLIDTWSCOKSS-UWVGGRQHSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164077473 1312442553 /nfs/dbraw/zinc/44/25/53/1312442553.db2.gz JIFFPYTUBDBOPE-NXEZZACHSA-N 1 0 335.795 2.755 20 5 EFBDRO CC(C)N(CCC[NH3+])c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001164122591 1312452182 /nfs/dbraw/zinc/45/21/82/1312452182.db2.gz JXTOSXAWOHVFDJ-UHFFFAOYSA-N 1 0 331.376 2.741 20 5 EFBDRO CN1CCC(CNc2cc([N+](=O)[O-])cc3cc[nH]c32)([NH+](C)C)CC1 ZINC001164210672 1312468389 /nfs/dbraw/zinc/46/83/89/1312468389.db2.gz GCFPIOLZHXYMDE-UHFFFAOYSA-N 1 0 331.420 2.514 20 5 EFBDRO CN1CCC(CNc2cc3cccnc3c([N+](=O)[O-])c2)([NH+](C)C)CC1 ZINC001164213068 1312469148 /nfs/dbraw/zinc/46/91/48/1312469148.db2.gz MWOFBJLYPLDWOW-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164211157 1312469522 /nfs/dbraw/zinc/46/95/22/1312469522.db2.gz KDEMFZRMHOMZNM-UHFFFAOYSA-N 1 0 334.464 2.958 20 5 EFBDRO Cc1c(Cl)ccc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc12 ZINC001231392318 1312485105 /nfs/dbraw/zinc/48/51/05/1312485105.db2.gz UBWIOIVNHGPOQY-CYBMUJFWSA-N 1 0 337.827 2.559 20 5 EFBDRO CCn1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001164441721 1312514017 /nfs/dbraw/zinc/51/40/17/1312514017.db2.gz DXILYSNWYABBKU-UHFFFAOYSA-N 1 0 344.415 2.634 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164462816 1312518807 /nfs/dbraw/zinc/51/88/07/1312518807.db2.gz UQLBWHXSPQZYOK-UWVGGRQHSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164472853 1312521069 /nfs/dbraw/zinc/52/10/69/1312521069.db2.gz ADBJELHVQGZFIJ-VXGBXAGGSA-N 1 0 345.378 2.755 20 5 EFBDRO Cc1cc(N2C[C@@H](C[NH3+])CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164474748 1312521306 /nfs/dbraw/zinc/52/13/06/1312521306.db2.gz UTVBCYLUPZOTOO-UONOGXRCSA-N 1 0 341.415 2.924 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164472852 1312521472 /nfs/dbraw/zinc/52/14/72/1312521472.db2.gz ADBJELHVQGZFIJ-RYUDHWBXSA-N 1 0 345.378 2.755 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164474683 1312521497 /nfs/dbraw/zinc/52/14/97/1312521497.db2.gz TVSDMVSLJOIADI-OLZOCXBDSA-N 1 0 327.388 2.615 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164486170 1312523770 /nfs/dbraw/zinc/52/37/70/1312523770.db2.gz LJOYNCSSUGDHJH-OWCLPIDISA-N 1 0 339.399 2.707 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC001164492510 1312525126 /nfs/dbraw/zinc/52/51/26/1312525126.db2.gz LZCWPPWLKBHOQJ-HRCADAONSA-N 1 0 339.399 2.707 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CCC1 ZINC001164503122 1312527804 /nfs/dbraw/zinc/52/78/04/1312527804.db2.gz DYWNHDRDIOSKPV-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001164603987 1312547946 /nfs/dbraw/zinc/54/79/46/1312547946.db2.gz XQSDGFGEPSJYIL-ZDUSSCGKSA-N 1 0 332.791 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164608715 1312549417 /nfs/dbraw/zinc/54/94/17/1312549417.db2.gz VREVYMJWBBTFJS-HNNXBMFYSA-N 1 0 349.394 2.559 20 5 EFBDRO COc1cc(N2CCC(C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001165066241 1312562190 /nfs/dbraw/zinc/56/21/90/1312562190.db2.gz YSPRLNBPTXPCEY-UHFFFAOYSA-N 1 0 334.420 2.557 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165072058 1312563181 /nfs/dbraw/zinc/56/31/81/1312563181.db2.gz JQEMWRQIBODGHD-SECBINFHSA-N 1 0 334.754 2.719 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(F)c1 ZINC001165084638 1312565493 /nfs/dbraw/zinc/56/54/93/1312565493.db2.gz KSVWJYOFJPSOEW-RHSMWYFYSA-N 1 0 342.374 2.840 20 5 EFBDRO COCCC[NH+]1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165097512 1312567872 /nfs/dbraw/zinc/56/78/72/1312567872.db2.gz KHTATJGQWKWHHK-UHFFFAOYSA-N 1 0 336.439 2.942 20 5 EFBDRO Cc1c(C)c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC001165123254 1312572920 /nfs/dbraw/zinc/57/29/20/1312572920.db2.gz NZBNCAMHCIOROB-UHFFFAOYSA-N 1 0 338.411 2.929 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903343797 1312584702 /nfs/dbraw/zinc/58/47/02/1312584702.db2.gz SGXIPPDVHGNZPJ-MAUKXSAKSA-N 1 0 333.432 2.673 20 5 EFBDRO C[N@H+](C1CN(c2ccc3ccc4cccnc4c3n2)C1)[C@@H]1CCOC1 ZINC001165204146 1312585262 /nfs/dbraw/zinc/58/52/62/1312585262.db2.gz VMCYYFRKTOENRH-MRXNPFEDSA-N 1 0 334.423 2.692 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001165235964 1312592405 /nfs/dbraw/zinc/59/24/05/1312592405.db2.gz BKXULJDVJBLRMJ-INIZCTEOSA-N 1 0 347.806 2.771 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165236238 1312592996 /nfs/dbraw/zinc/59/29/96/1312592996.db2.gz HOHXKUCIMWXVSY-CYBMUJFWSA-N 1 0 331.203 2.877 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165301181 1312605613 /nfs/dbraw/zinc/60/56/13/1312605613.db2.gz YYUJRGRWLHVJRV-CYBMUJFWSA-N 1 0 335.404 2.834 20 5 EFBDRO CN1CCc2c(NCC[C@@H]3CCC[N@H+](C)C3)ccc([N+](=O)[O-])c2C1 ZINC001165301260 1312605768 /nfs/dbraw/zinc/60/57/68/1312605768.db2.gz ZHHKVYBQRXAXPM-AWEZNQCLSA-N 1 0 332.448 2.727 20 5 EFBDRO Cc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165304174 1312606166 /nfs/dbraw/zinc/60/61/66/1312606166.db2.gz NOQQLWXPTPTMQD-LLVKDONJSA-N 1 0 344.337 2.952 20 5 EFBDRO Cc1nc(Cl)nc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165320241 1312608579 /nfs/dbraw/zinc/60/85/79/1312608579.db2.gz PZXIGUCNHWZJMX-LBPRGKRZSA-N 1 0 339.827 2.705 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165350120 1312613558 /nfs/dbraw/zinc/61/35/58/1312613558.db2.gz ODNSYXUZQWGEKF-QWHCGFSZSA-N 1 0 330.775 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]3[NH2+]C[C@H]32)nc1-c1ccc(F)cc1 ZINC001165397589 1312620971 /nfs/dbraw/zinc/62/09/71/1312620971.db2.gz WSCSXPXLRZJVCS-UKRRQHHQSA-N 1 0 328.347 2.737 20 5 EFBDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1=O ZINC000903389076 1312624678 /nfs/dbraw/zinc/62/46/78/1312624678.db2.gz RMYGSRYDHGFTQF-FZMZJTMJSA-N 1 0 337.445 2.978 20 5 EFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165413260 1312624752 /nfs/dbraw/zinc/62/47/52/1312624752.db2.gz YUUYYNCSDQYIOK-UHFFFAOYSA-N 1 0 347.806 2.627 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]2CF)CC1 ZINC001165428651 1312628240 /nfs/dbraw/zinc/62/82/40/1312628240.db2.gz FZALOMYMFXTADT-SMDDNHRTSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165433924 1312630351 /nfs/dbraw/zinc/63/03/51/1312630351.db2.gz OZIWZGRAEYIJOL-DOMZBBRYSA-N 1 0 330.363 2.656 20 5 EFBDRO COCC[NH+](CCOC)Cc1ccc2ccc3cccnc3c2n1 ZINC001232218970 1312651516 /nfs/dbraw/zinc/65/15/16/1312651516.db2.gz JBWMVJJZAHBWMJ-UHFFFAOYSA-N 1 0 325.412 2.878 20 5 EFBDRO O=C1NCC[C@]12CCC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220713 1312651735 /nfs/dbraw/zinc/65/17/35/1312651735.db2.gz SEPGIZXCIKFNKM-NRFANRHFSA-N 1 0 346.434 2.885 20 5 EFBDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228263 1312652888 /nfs/dbraw/zinc/65/28/88/1312652888.db2.gz NNNUETZSISNTQN-INIZCTEOSA-N 1 0 349.438 2.676 20 5 EFBDRO Cc1cnc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001165671885 1312660491 /nfs/dbraw/zinc/66/04/91/1312660491.db2.gz NCSHQYBCTXIWAP-CQSZACIVSA-N 1 0 348.447 2.814 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1 ZINC001019938697 1314543012 /nfs/dbraw/zinc/54/30/12/1314543012.db2.gz GSZVCQWGQCNUJT-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001019981957 1314555791 /nfs/dbraw/zinc/55/57/91/1314555791.db2.gz XPZLTCBGLCFFSS-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CC[C@@H](C)C[NH2+]2)c1F ZINC001246107007 1314583143 /nfs/dbraw/zinc/58/31/43/1314583143.db2.gz RUTUIXPUVZDKPP-FRRDWIJNSA-N 1 0 339.411 2.651 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020116656 1314617921 /nfs/dbraw/zinc/61/79/21/1314617921.db2.gz OPKCFEZJHFCGJY-HAQNSBGRSA-N 1 0 349.412 2.862 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020124523 1314621842 /nfs/dbraw/zinc/62/18/42/1314621842.db2.gz RFSYIPPNBSUSHS-HDJSIYSDSA-N 1 0 342.399 2.536 20 5 EFBDRO C[C@H]1CC[C@@H](CN)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246558088 1314647944 /nfs/dbraw/zinc/64/79/44/1314647944.db2.gz OHKNHNDCKRTYGG-KSSFIOAISA-N 1 0 332.448 2.623 20 5 EFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c([N+](=O)[O-])c1 ZINC001214164932 1314653505 /nfs/dbraw/zinc/65/35/05/1314653505.db2.gz GKDJYKJMEKYNIN-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246621188 1314657861 /nfs/dbraw/zinc/65/78/61/1314657861.db2.gz UCXYBQYZZVNIPI-IHPCNDPISA-N 1 0 335.407 2.633 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC001246618328 1314658437 /nfs/dbraw/zinc/65/84/37/1314658437.db2.gz JWWAPAJOGRTUQJ-KSSFIOAISA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246626728 1314660358 /nfs/dbraw/zinc/66/03/58/1314660358.db2.gz HXZFFLCKYXFVCS-KSSFIOAISA-N 1 0 333.432 2.610 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+]C[C@H]2C(C)C)c1F ZINC001246697830 1314672342 /nfs/dbraw/zinc/67/23/42/1314672342.db2.gz RZHIQNNFWMAUTO-DOMZBBRYSA-N 1 0 339.411 2.603 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1c1ccccc1F)C2 ZINC001246799939 1314684604 /nfs/dbraw/zinc/68/46/04/1314684604.db2.gz XDFUKSFIUHDVHN-QFBILLFUSA-N 1 0 341.386 2.848 20 5 EFBDRO COc1ccc(C[C@H](C)N(C2CC2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246918710 1314708024 /nfs/dbraw/zinc/70/80/24/1314708024.db2.gz QDZPZAXZLMWURL-BBRMVZONSA-N 1 0 333.432 2.751 20 5 EFBDRO COCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246926671 1314709993 /nfs/dbraw/zinc/70/99/93/1314709993.db2.gz DMMVLLZLKUIQOI-IEBWSBKVSA-N 1 0 347.459 2.543 20 5 EFBDRO CCCC[C@@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001246932754 1314710228 /nfs/dbraw/zinc/71/02/28/1314710228.db2.gz RUVJUKDSVGIPDN-GOEBONIOSA-N 1 0 335.448 2.998 20 5 EFBDRO CCCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001246931741 1314710841 /nfs/dbraw/zinc/71/08/41/1314710841.db2.gz YONFXBHSUAFXLI-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246939979 1314711434 /nfs/dbraw/zinc/71/14/34/1314711434.db2.gz WIJGHCHUAFVWNA-KBAYOESNSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)C1 ZINC001246952135 1314714136 /nfs/dbraw/zinc/71/41/36/1314714136.db2.gz TZUACUAHRQGQGQ-BHYGNILZSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246952166 1314714155 /nfs/dbraw/zinc/71/41/55/1314714155.db2.gz XIYBNUDUKCAISY-CGTJXYLNSA-N 1 0 335.423 2.825 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C(C)C)[C@@H]2CC[NH2+]C2)c1F ZINC001246967772 1314717784 /nfs/dbraw/zinc/71/77/84/1314717784.db2.gz ONKFWSOUXWJXLB-QWHCGFSZSA-N 1 0 339.411 2.746 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001020302149 1314721216 /nfs/dbraw/zinc/72/12/16/1314721216.db2.gz GNGXWLQXAYKTAK-HAQNSBGRSA-N 1 0 349.412 2.862 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001020303355 1314721732 /nfs/dbraw/zinc/72/17/32/1314721732.db2.gz VLGBAKDGZGGKGB-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO N[C@H](CCC[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247508477 1314795139 /nfs/dbraw/zinc/79/51/39/1314795139.db2.gz RTHDUMBPFTXFPH-CYBMUJFWSA-N 1 0 334.383 2.572 20 5 EFBDRO N[C@@H](CCC[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247508484 1314795151 /nfs/dbraw/zinc/79/51/51/1314795151.db2.gz RTHDUMBPFTXFPH-ZDUSSCGKSA-N 1 0 334.383 2.572 20 5 EFBDRO [NH3+]C12CC(c3nc(-c4ccc5ccc6cccnc6c5n4)no3)(C1)C2 ZINC001247868470 1314856794 /nfs/dbraw/zinc/85/67/94/1314856794.db2.gz JKMUJSZAQNFCSS-UHFFFAOYSA-N 1 0 329.363 2.966 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CCCC2CC[NH2+]CC2)n1 ZINC001248217406 1314907561 /nfs/dbraw/zinc/90/75/61/1314907561.db2.gz GUELPBIQJBJWIH-UHFFFAOYSA-N 1 0 335.339 2.501 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001249544479 1315094380 /nfs/dbraw/zinc/09/43/80/1315094380.db2.gz CXYDSWGLCJOBJO-UHFFFAOYSA-N 1 0 342.399 2.917 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001318369749 1328566455 /nfs/dbraw/zinc/56/64/55/1328566455.db2.gz HFCCYKLSIIFBDJ-DOTOQJQBSA-N 1 0 344.415 2.539 20 5 EFBDRO [NH3+][C@H](Cc1nnc(Cc2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217732428 1315107653 /nfs/dbraw/zinc/10/76/53/1315107653.db2.gz ACYPRUKMPWBITK-OAHLLOKOSA-N 1 0 342.330 2.950 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217907288 1315120611 /nfs/dbraw/zinc/12/06/11/1315120611.db2.gz BJDDJDZPRUHMGV-CYBMUJFWSA-N 1 0 337.395 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947423 1315123308 /nfs/dbraw/zinc/12/33/08/1315123308.db2.gz RJFHCUQESZTCQW-KOLCDFICSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CCC[NH2+]C[C@H]3F)[nH]c2cc1Cl ZINC001217945962 1315123338 /nfs/dbraw/zinc/12/33/38/1315123338.db2.gz FUXUTQBWGFZTGH-PELKAZGASA-N 1 0 328.731 2.593 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1Br ZINC001217950068 1315124235 /nfs/dbraw/zinc/12/42/35/1315124235.db2.gz OTPLEPLUQXUFJG-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217949351 1315124270 /nfs/dbraw/zinc/12/42/70/1315124270.db2.gz WSZNVZWAUOLETE-GXSJLCMTSA-N 1 0 338.257 2.962 20 5 EFBDRO O=c1c2cc(O[C@@H]3CCCC[NH2+]C3)c(O)cc2oc2cccc(O)c12 ZINC001217970064 1315126826 /nfs/dbraw/zinc/12/68/26/1315126826.db2.gz CCIVVTUSDPEIGW-LLVKDONJSA-N 1 0 341.363 2.878 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC[C@H]2F)c1Br ZINC001217972323 1315127400 /nfs/dbraw/zinc/12/74/00/1315127400.db2.gz OJDRUYSJFUAYSI-KCJUWKMLSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217976252 1315127856 /nfs/dbraw/zinc/12/78/56/1315127856.db2.gz KVAGVMARZBYUNH-JOYOIKCWSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217980369 1315128212 /nfs/dbraw/zinc/12/82/12/1315128212.db2.gz KRKKPZNNQXOMAT-RYUDHWBXSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979180 1315128461 /nfs/dbraw/zinc/12/84/61/1315128461.db2.gz GGWDVLHRRNFBIK-KOLCDFICSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979182 1315128515 /nfs/dbraw/zinc/12/85/15/1315128515.db2.gz GGWDVLHRRNFBIK-ONGXEEELSA-N 1 0 333.157 2.826 20 5 EFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218017640 1315134734 /nfs/dbraw/zinc/13/47/34/1315134734.db2.gz WTFGAXICFCUELM-GWCFXTLKSA-N 1 0 341.339 2.879 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218017343 1315134811 /nfs/dbraw/zinc/13/48/11/1315134811.db2.gz RPYVENUWAWDTAA-CBAPKCEASA-N 1 0 339.548 2.699 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218031624 1315136109 /nfs/dbraw/zinc/13/61/09/1315136109.db2.gz QWLIMASJQRLNOD-PRHODGIISA-N 1 0 344.209 2.828 20 5 EFBDRO Cc1c(Br)c(O[C@H]2CC[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001218031106 1315136427 /nfs/dbraw/zinc/13/64/27/1315136427.db2.gz MSPRCAUMXZGMJJ-KCJUWKMLSA-N 1 0 344.209 2.828 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000749147303 1315137436 /nfs/dbraw/zinc/13/74/36/1315137436.db2.gz HLWMVMRQLWWRBX-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CC[NH2+]C1)CCC2 ZINC001218038396 1315137225 /nfs/dbraw/zinc/13/72/25/1315137225.db2.gz HIFUQYHSSPKHSW-SECBINFHSA-N 1 0 327.178 2.587 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001218046363 1315138748 /nfs/dbraw/zinc/13/87/48/1315138748.db2.gz WRJVQDRTTGOMGD-IBGZPJMESA-N 1 0 339.395 2.551 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218046096 1315138952 /nfs/dbraw/zinc/13/89/52/1315138952.db2.gz SDPFZTKLUDTNOD-IAQYHMDHSA-N 1 0 336.388 2.927 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001218079055 1315144940 /nfs/dbraw/zinc/14/49/40/1315144940.db2.gz UZGZEHWAQBRTMB-RDJZCZTQSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2)c1 ZINC001218084215 1315146153 /nfs/dbraw/zinc/14/61/53/1315146153.db2.gz JMVKVTFZWVZORT-KFKAGJAMSA-N 1 0 340.379 2.875 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218098429 1315147483 /nfs/dbraw/zinc/14/74/83/1315147483.db2.gz XXVIAKWXQQEUIC-NVXWUHKLSA-N 1 0 334.372 2.683 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[C@H]4C[NH2+]CCN4C3)cc2)cc1 ZINC001218106871 1315149521 /nfs/dbraw/zinc/14/95/21/1315149521.db2.gz YOSXQJKWGPDIJC-PKOBYXMFSA-N 1 0 339.395 2.687 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1Br ZINC001218114417 1315151040 /nfs/dbraw/zinc/15/10/40/1315151040.db2.gz IUCNJXBQNJAVLZ-QWHCGFSZSA-N 1 0 327.178 2.878 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC23C[NH2+]C3)c1 ZINC001218245308 1315170639 /nfs/dbraw/zinc/17/06/39/1315170639.db2.gz YRNOOILMABKPPO-CQSZACIVSA-N 1 0 334.372 2.681 20 5 EFBDRO O=c1cc(OC2CCC3(C[NH2+]C3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218262332 1315172080 /nfs/dbraw/zinc/17/20/80/1315172080.db2.gz GWTJPUFTLTZDSI-UHFFFAOYSA-N 1 0 329.356 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218398356 1315190079 /nfs/dbraw/zinc/19/00/79/1315190079.db2.gz DOCVCLKRKVGRFL-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218400099 1315190082 /nfs/dbraw/zinc/19/00/82/1315190082.db2.gz RFEPRLMECPCRCH-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO C[C@@H]1CC[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C[NH2+]1 ZINC001218406484 1315191129 /nfs/dbraw/zinc/19/11/29/1315191129.db2.gz JYNNIAIMPHRLMY-CHWSQXEVSA-N 1 0 333.391 2.958 20 5 EFBDRO Cc1nc(O[C@H]2CC[C@H](C)[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218408209 1315191923 /nfs/dbraw/zinc/19/19/23/1315191923.db2.gz ULVIJIIDMRTBGC-CBAPKCEASA-N 1 0 330.182 2.580 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(Br)c1 ZINC001218444568 1315196412 /nfs/dbraw/zinc/19/64/12/1315196412.db2.gz KNXROIHVJMCBOQ-DIMCTHFVSA-N 1 0 331.141 2.626 20 5 EFBDRO Cc1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218443463 1315196201 /nfs/dbraw/zinc/19/62/01/1315196201.db2.gz AOQCMOIENIZAAI-ZDSQKVDBSA-N 1 0 327.178 2.795 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218445151 1315196440 /nfs/dbraw/zinc/19/64/40/1315196440.db2.gz RFAZDVRIQGKFTE-GLXFQSAKSA-N 1 0 335.360 2.930 20 5 EFBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218447276 1315197468 /nfs/dbraw/zinc/19/74/68/1315197468.db2.gz ILBMEHJYBCGFJX-VIFPVBQESA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001218449892 1315197954 /nfs/dbraw/zinc/19/79/54/1315197954.db2.gz WYCKXPFFSHYVCY-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218449275 1315198149 /nfs/dbraw/zinc/19/81/49/1315198149.db2.gz SPRMWDPPYVYKMZ-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218463325 1315200397 /nfs/dbraw/zinc/20/03/97/1315200397.db2.gz BJKPBHCQANHASV-PTOFAABTSA-N 1 0 332.278 2.870 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218463322 1315200497 /nfs/dbraw/zinc/20/04/97/1315200497.db2.gz BJKPBHCQANHASV-MKPLZMMCSA-N 1 0 332.278 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218470516 1315201107 /nfs/dbraw/zinc/20/11/07/1315201107.db2.gz COONIFKODBHSBP-MKPLZMMCSA-N 1 0 327.178 2.734 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218491311 1315204558 /nfs/dbraw/zinc/20/45/58/1315204558.db2.gz WJDMOWPVTPVKQH-OAHLLOKOSA-N 1 0 342.351 2.913 20 5 EFBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218859450 1315251936 /nfs/dbraw/zinc/25/19/36/1315251936.db2.gz NRTYVTNOXQWQBT-LLVKDONJSA-N 1 0 335.411 2.549 20 5 EFBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc3c2)CC1 ZINC001250896663 1315290383 /nfs/dbraw/zinc/29/03/83/1315290383.db2.gz MGQCCDCLGUSUNT-UHFFFAOYSA-N 1 0 343.412 2.951 20 5 EFBDRO Nc1ccc2n(C(=O)c3cccc(C[NH3+])c3)c3ccccc3cc-2c1=O ZINC001219256035 1315294693 /nfs/dbraw/zinc/29/46/93/1315294693.db2.gz PSPUTKZBKMIBRF-UHFFFAOYSA-N 1 0 343.386 2.836 20 5 EFBDRO Nc1ccc2n(C(=O)C[C@@H]3CCC[NH2+]C3)c3ccccc3cc-2c1=O ZINC001219255482 1315294807 /nfs/dbraw/zinc/29/48/07/1315294807.db2.gz BEHBFHJBCXWIRE-ZDUSSCGKSA-N 1 0 335.407 2.718 20 5 EFBDRO C[C@H]1CC[NH2+][C@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001219254103 1315294843 /nfs/dbraw/zinc/29/48/43/1315294843.db2.gz UHDBERLXZLHKGD-LRDDRELGSA-N 1 0 335.407 2.717 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318408509 1328578711 /nfs/dbraw/zinc/57/87/11/1328578711.db2.gz RMTXORPEYMAKFH-OCCSQVGLSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001219666371 1315333974 /nfs/dbraw/zinc/33/39/74/1315333974.db2.gz IDTJLVHCUJVUCB-KGLIPLIRSA-N 1 0 334.423 2.758 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)C[C@@H]21 ZINC001220437379 1315412222 /nfs/dbraw/zinc/41/22/22/1315412222.db2.gz BEUZCSJKWVCDJP-PXAZEXFGSA-N 1 0 340.383 2.916 20 5 EFBDRO [NH3+]CCCCNC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001221347741 1315513494 /nfs/dbraw/zinc/51/34/94/1315513494.db2.gz CFAVRGNDPFDQBA-UHFFFAOYSA-N 1 0 326.425 2.866 20 5 EFBDRO CC[C@@H](CO)NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001221378291 1315517779 /nfs/dbraw/zinc/51/77/79/1315517779.db2.gz DPEGUDOBBYTLNF-JXFKEZNVSA-N 1 0 336.435 2.750 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC001254468904 1315706912 /nfs/dbraw/zinc/70/69/12/1315706912.db2.gz QMUXJVAXKQOVLC-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO C[C@H](CN1CCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465978 1315706930 /nfs/dbraw/zinc/70/69/30/1315706930.db2.gz SIXZSRLOOUCIEF-OAHLLOKOSA-N 1 0 332.448 2.638 20 5 EFBDRO COc1cncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254470531 1315706980 /nfs/dbraw/zinc/70/69/80/1315706980.db2.gz WDALMACTWUBVKW-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(C4CCC4)C3)CC2)cc1 ZINC001254469822 1315707060 /nfs/dbraw/zinc/70/70/60/1315707060.db2.gz HDLNVOUOTIZWSN-INIZCTEOSA-N 1 0 344.459 2.780 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cncnc1 ZINC001254466708 1315707100 /nfs/dbraw/zinc/70/71/00/1315707100.db2.gz MRAYJXZHRIHWHQ-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO O=C1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1F ZINC001254473821 1315707521 /nfs/dbraw/zinc/70/75/21/1315707521.db2.gz IDGDWXWSBCCZPG-MRXNPFEDSA-N 1 0 335.379 2.567 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001254474103 1315707761 /nfs/dbraw/zinc/70/77/61/1315707761.db2.gz LWQJLMGWFSDAIG-CABCVRRESA-N 1 0 331.416 2.532 20 5 EFBDRO CCN1CCC([N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254478553 1315707924 /nfs/dbraw/zinc/70/79/24/1315707924.db2.gz GRCSIMMQKGJZEM-UHFFFAOYSA-N 1 0 346.475 2.980 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CCCC[C@H]4C3)CC2)cc1 ZINC001254478410 1315708172 /nfs/dbraw/zinc/70/81/72/1315708172.db2.gz BHUBGTNMULJXKN-IBGZPJMESA-N 1 0 344.459 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001254478990 1315708228 /nfs/dbraw/zinc/70/82/28/1315708228.db2.gz NLORHTGCQUZSRH-IBGZPJMESA-N 1 0 344.459 2.734 20 5 EFBDRO CN(C)C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478831 1315708374 /nfs/dbraw/zinc/70/83/74/1315708374.db2.gz KXJISFIXIMDYOL-SFHVURJKSA-N 1 0 332.448 2.590 20 5 EFBDRO CN(C)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478546 1315708401 /nfs/dbraw/zinc/70/84/01/1315708401.db2.gz GLKSZKXQHDAJED-SFHVURJKSA-N 1 0 332.448 2.590 20 5 EFBDRO CC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479966 1315708430 /nfs/dbraw/zinc/70/84/30/1315708430.db2.gz SAOSPQDPAWUOEB-OAHLLOKOSA-N 1 0 331.416 2.865 20 5 EFBDRO O=C1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]12 ZINC001254482609 1315708586 /nfs/dbraw/zinc/70/85/86/1315708586.db2.gz LHOVBVYTVMSWON-KSSFIOAISA-N 1 0 343.427 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001254480878 1315708769 /nfs/dbraw/zinc/70/87/69/1315708769.db2.gz NQWLRGWGJLYCBQ-KBXCAEBGSA-N 1 0 331.416 2.674 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254536194 1315721224 /nfs/dbraw/zinc/72/12/24/1315721224.db2.gz ONTULXISPFSKMT-ZDUSSCGKSA-N 1 0 335.404 2.736 20 5 EFBDRO COc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254540985 1315721687 /nfs/dbraw/zinc/72/16/87/1315721687.db2.gz XTDURRUERSJVOW-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CCCCC1 ZINC001254542120 1315721690 /nfs/dbraw/zinc/72/16/90/1315721690.db2.gz MCDNPORGYNZOTC-AWEZNQCLSA-N 1 0 333.432 2.812 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC001254540705 1315721831 /nfs/dbraw/zinc/72/18/31/1315721831.db2.gz ULEIDGOKBUCWGM-LIRRHRJNSA-N 1 0 342.395 2.786 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1OC ZINC001254544363 1315721847 /nfs/dbraw/zinc/72/18/47/1315721847.db2.gz JEYKVKSGAQETPD-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)Nc1ccccc1 ZINC001254540989 1315721866 /nfs/dbraw/zinc/72/18/66/1315721866.db2.gz XUNKNYDZRZPXRK-AWEZNQCLSA-N 1 0 342.399 2.937 20 5 EFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544554 1315721880 /nfs/dbraw/zinc/72/18/80/1315721880.db2.gz WYDPQDHGEAJAOV-GFCCVEGCSA-N 1 0 341.367 2.928 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001254548226 1315722128 /nfs/dbraw/zinc/72/21/28/1315722128.db2.gz LNGNKILNQIJJHK-LJHODMEESA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001254547490 1315722287 /nfs/dbraw/zinc/72/22/87/1315722287.db2.gz IUOWZNDKLGEDDJ-UKRRQHHQSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001254545177 1315722294 /nfs/dbraw/zinc/72/22/94/1315722294.db2.gz BKXVOBROWRNRKY-CJNGLKHVSA-N 1 0 331.416 2.516 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548974 1315722336 /nfs/dbraw/zinc/72/23/36/1315722336.db2.gz OQZMMCLVTSUDDG-KBXCAEBGSA-N 1 0 344.411 2.995 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC001254550801 1315722920 /nfs/dbraw/zinc/72/29/20/1315722920.db2.gz RKZGSMFQXNHLIT-OAHLLOKOSA-N 1 0 326.400 2.743 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001254549930 1315723005 /nfs/dbraw/zinc/72/30/05/1315723005.db2.gz ALQHTNGTDOVBTE-GFCCVEGCSA-N 1 0 341.367 2.647 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ncccn2)CC1 ZINC001254560735 1315723173 /nfs/dbraw/zinc/72/31/73/1315723173.db2.gz XCARBOSBSDRGMO-AWEZNQCLSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC001254560797 1315723291 /nfs/dbraw/zinc/72/32/91/1315723291.db2.gz YNSAAYLPQQFRKT-GDBMZVCRSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ncccn2)CC1 ZINC001254560736 1315723383 /nfs/dbraw/zinc/72/33/83/1315723383.db2.gz XCARBOSBSDRGMO-CQSZACIVSA-N 1 0 342.399 2.859 20 5 EFBDRO CCNC(=O)OC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563916 1315724216 /nfs/dbraw/zinc/72/42/16/1315724216.db2.gz GIUSYUMKHGVKKK-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568166 1315724547 /nfs/dbraw/zinc/72/45/47/1315724547.db2.gz XWPITJURMUHKGN-YOEHRIQHSA-N 1 0 333.432 2.857 20 5 EFBDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564896 1315724569 /nfs/dbraw/zinc/72/45/69/1315724569.db2.gz BJWKSTMROBDTBN-OAHLLOKOSA-N 1 0 349.431 2.957 20 5 EFBDRO COc1ccc(C(=O)C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567934 1315724687 /nfs/dbraw/zinc/72/46/87/1315724687.db2.gz RETDETMVIGXSFZ-OAHLLOKOSA-N 1 0 326.352 2.543 20 5 EFBDRO CN(CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254566836 1315724773 /nfs/dbraw/zinc/72/47/73/1315724773.db2.gz KQJRJXWPYNLSEU-OAHLLOKOSA-N 1 0 349.431 2.909 20 5 EFBDRO CCN(C(C)=O)C1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568556 1315725159 /nfs/dbraw/zinc/72/51/59/1315725159.db2.gz HEQXTEZDNVKQHI-CQSZACIVSA-N 1 0 333.432 2.859 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001254569095 1315725175 /nfs/dbraw/zinc/72/51/75/1315725175.db2.gz HTGKSGBHCDTQCK-ZBFHGGJFSA-N 1 0 342.399 2.859 20 5 EFBDRO CN(C)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254571669 1315725519 /nfs/dbraw/zinc/72/55/19/1315725519.db2.gz ADDDFTAAMQNYDQ-MJGOQNOKSA-N 1 0 325.412 2.955 20 5 EFBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570653 1315725598 /nfs/dbraw/zinc/72/55/98/1315725598.db2.gz PEHAGWHEMRFOTJ-ZBFHGGJFSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001254569985 1315725621 /nfs/dbraw/zinc/72/56/21/1315725621.db2.gz LMQMUQKNFLKNLQ-SWLSCSKDSA-N 1 0 346.362 2.608 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254568851 1315725639 /nfs/dbraw/zinc/72/56/39/1315725639.db2.gz VBIDTJIUFCEPMO-OAHLLOKOSA-N 1 0 328.368 2.869 20 5 EFBDRO CN(C)c1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254572658 1315726228 /nfs/dbraw/zinc/72/62/28/1315726228.db2.gz RKXRTUYSYOJNHP-QGZVFWFLSA-N 1 0 325.412 2.960 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC001254577546 1315726508 /nfs/dbraw/zinc/72/65/08/1315726508.db2.gz FKVBXTLGQWLBGO-CXAGYDPISA-N 1 0 334.322 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)Cc1cccc(Cl)c1)C2 ZINC001254578171 1315726680 /nfs/dbraw/zinc/72/66/80/1315726680.db2.gz JYWBRYATMJDKGF-SJORKVTESA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C2 ZINC001254579651 1315726688 /nfs/dbraw/zinc/72/66/88/1315726688.db2.gz UUOKQNZDDXQCOS-MAUKXSAKSA-N 1 0 326.396 2.503 20 5 EFBDRO CN(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001254581441 1315726851 /nfs/dbraw/zinc/72/68/51/1315726851.db2.gz KINWJBNHSXBJMW-SFHVURJKSA-N 1 0 325.412 2.784 20 5 EFBDRO COc1ccc(OC)c(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254579946 1315726885 /nfs/dbraw/zinc/72/68/85/1315726885.db2.gz XKLMMKPFCJVPQR-INIZCTEOSA-N 1 0 342.395 2.912 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254580885 1315726913 /nfs/dbraw/zinc/72/69/13/1315726913.db2.gz GTAOWKFFHFRZMR-MRXNPFEDSA-N 1 0 326.352 2.638 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001254581761 1315726934 /nfs/dbraw/zinc/72/69/34/1315726934.db2.gz MGRXNGPEQUYJQL-INIZCTEOSA-N 1 0 336.351 2.902 20 5 EFBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579941 1315726954 /nfs/dbraw/zinc/72/69/54/1315726954.db2.gz XGPRYMKVQSPUAD-YJBOKZPZSA-N 1 0 337.379 2.605 20 5 EFBDRO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581658 1315726988 /nfs/dbraw/zinc/72/69/88/1315726988.db2.gz PUOHLZBBVSEAEJ-LSDHHAIUSA-N 1 0 349.431 2.955 20 5 EFBDRO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581656 1315727034 /nfs/dbraw/zinc/72/70/34/1315727034.db2.gz PUOHLZBBVSEAEJ-GJZGRUSLSA-N 1 0 349.431 2.955 20 5 EFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580259 1315727106 /nfs/dbraw/zinc/72/71/06/1315727106.db2.gz CVKKGQJSGOJXEP-IUODEOHRSA-N 1 0 349.431 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001254584378 1315727475 /nfs/dbraw/zinc/72/74/75/1315727475.db2.gz HLMGOKBDNHFAOP-SJORKVTESA-N 1 0 338.411 2.716 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585845 1315727714 /nfs/dbraw/zinc/72/77/14/1315727714.db2.gz GXHJPMKJJIIJDG-KBMXLJTQSA-N 1 0 332.400 2.774 20 5 EFBDRO COc1ccnc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254587935 1315727717 /nfs/dbraw/zinc/72/77/17/1315727717.db2.gz SJVHDUOKROCTAE-HNNXBMFYSA-N 1 0 339.395 2.787 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588641 1315727760 /nfs/dbraw/zinc/72/77/60/1315727760.db2.gz GZEIEYUGEKISKN-PKOBYXMFSA-N 1 0 342.395 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ncccc3F)CC1)C2 ZINC001254587623 1315727868 /nfs/dbraw/zinc/72/78/68/1315727868.db2.gz RJHJWUYFGFBCEM-AWEZNQCLSA-N 1 0 327.359 2.918 20 5 EFBDRO COc1cccnc1C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587206 1315727870 /nfs/dbraw/zinc/72/78/70/1315727870.db2.gz NYIXDBBKUJRGQH-HNNXBMFYSA-N 1 0 339.395 2.787 20 5 EFBDRO N[C@H]([C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(F)(F)F ZINC001254587791 1315727986 /nfs/dbraw/zinc/72/79/86/1315727986.db2.gz BAQIGYIIKPTHNE-NILFDRSVSA-N 1 0 343.349 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001254593398 1315728215 /nfs/dbraw/zinc/72/82/15/1315728215.db2.gz LZUMTBBPOQAAGJ-LSDHHAIUSA-N 1 0 344.333 2.841 20 5 EFBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@]1(O)C(F)(F)F ZINC001254593418 1315728239 /nfs/dbraw/zinc/72/82/39/1315728239.db2.gz MHNSYXZRUTZGBO-WKPIXPDZSA-N 1 0 344.333 2.697 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1)C2 ZINC001254593396 1315728372 /nfs/dbraw/zinc/72/83/72/1315728372.db2.gz LZUMTBBPOQAAGJ-GJZGRUSLSA-N 1 0 344.333 2.841 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)(CC1)C2 ZINC001254589042 1315728448 /nfs/dbraw/zinc/72/84/48/1315728448.db2.gz LWWHFRMMGOOFKM-RWBZWWBESA-N 1 0 330.384 2.528 20 5 EFBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598614 1315728897 /nfs/dbraw/zinc/72/88/97/1315728897.db2.gz LAKAQDLPWHSJDX-CRAIPNDOSA-N 1 0 345.443 2.642 20 5 EFBDRO COCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001254595907 1315728972 /nfs/dbraw/zinc/72/89/72/1315728972.db2.gz AGTPETKJGXHYNP-SFHVURJKSA-N 1 0 338.407 2.836 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1)C2 ZINC001254596279 1315729100 /nfs/dbraw/zinc/72/91/00/1315729100.db2.gz NJUQAQFSTHQDKZ-SLFFLAALSA-N 1 0 338.407 2.740 20 5 EFBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)no1 ZINC001254593566 1315729176 /nfs/dbraw/zinc/72/91/76/1315729176.db2.gz NBBPMVVETTUBNH-CJNGLKHVSA-N 1 0 328.372 2.633 20 5 EFBDRO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596432 1315729210 /nfs/dbraw/zinc/72/92/10/1315729210.db2.gz DVNUFELEOHQJQX-KRWDZBQOSA-N 1 0 340.379 2.965 20 5 EFBDRO CC[C@H]1[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2 ZINC001254596165 1315729261 /nfs/dbraw/zinc/72/92/61/1315729261.db2.gz PCIHNURMXSAXLM-SCTDSRPQSA-N 1 0 343.427 2.585 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)C2 ZINC001254599318 1315729287 /nfs/dbraw/zinc/72/92/87/1315729287.db2.gz NUDBYLPIJJKAKH-GJZGRUSLSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO)C2 ZINC001254595741 1315729309 /nfs/dbraw/zinc/72/93/09/1315729309.db2.gz ZAEGEYJGBIKFBK-RRFJBIMHSA-N 1 0 344.333 2.697 20 5 EFBDRO COC(=O)CC[N@H+](Cc1ccco1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597238 1315729316 /nfs/dbraw/zinc/72/93/16/1315729316.db2.gz CAXVSURITNUZAS-INIZCTEOSA-N 1 0 344.367 2.720 20 5 EFBDRO CC(=O)N1CCCC[C@@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254601026 1315729670 /nfs/dbraw/zinc/72/96/70/1315729670.db2.gz VHODWHPVPCMOSK-OALUTQOASA-N 1 0 343.427 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001254599941 1315729769 /nfs/dbraw/zinc/72/97/69/1315729769.db2.gz MZPRCEVRLDNYML-WMZOPIPTSA-N 1 0 325.368 2.610 20 5 EFBDRO CCOC(=O)N1CCC([N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604922 1315730306 /nfs/dbraw/zinc/73/03/06/1315730306.db2.gz YYRZDRYYQXARBT-QGZVFWFLSA-N 1 0 347.415 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001254607980 1315730315 /nfs/dbraw/zinc/73/03/15/1315730315.db2.gz OAKDVANVMFYJJG-PZJWPPBQSA-N 1 0 349.434 2.977 20 5 EFBDRO CCOC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607224 1315730454 /nfs/dbraw/zinc/73/04/54/1315730454.db2.gz JMLICFRHOHZRKU-WMZOPIPTSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001254606835 1315730592 /nfs/dbraw/zinc/73/05/92/1315730592.db2.gz IDYUNIYDELVYSO-SJLPKXTDSA-N 1 0 325.368 2.610 20 5 EFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)o1 ZINC001254609579 1315731137 /nfs/dbraw/zinc/73/11/37/1315731137.db2.gz XPCKFKVAPJHKJG-XJKSGUPXSA-N 1 0 328.372 2.633 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609529 1315731167 /nfs/dbraw/zinc/73/11/67/1315731167.db2.gz WYNGGLJYLBEHFI-RHSMWYFYSA-N 1 0 332.400 2.727 20 5 EFBDRO Cc1cccc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254612088 1315731598 /nfs/dbraw/zinc/73/15/98/1315731598.db2.gz UYMZAMGOYCDCEN-MSOLQXFVSA-N 1 0 339.395 2.919 20 5 EFBDRO CC(C)(C)C(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254612752 1315731737 /nfs/dbraw/zinc/73/17/37/1315731737.db2.gz YPOTVNZPRMDHCU-KRWDZBQOSA-N 1 0 345.443 2.689 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000724978540 1315888703 /nfs/dbraw/zinc/88/87/03/1315888703.db2.gz SYXSHMDTORGOJX-NSHDSACASA-N 1 0 327.406 2.755 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCO[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256083682 1315903268 /nfs/dbraw/zinc/90/32/68/1315903268.db2.gz VHQFYPWZYNEKLD-KGLIPLIRSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089418 1315903655 /nfs/dbraw/zinc/90/36/55/1315903655.db2.gz SYYAFXAOAHRZNI-HIFRSBDPSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC001256090202 1315903707 /nfs/dbraw/zinc/90/37/07/1315903707.db2.gz PBCJRGQTSNBLFL-OAHLLOKOSA-N 1 0 347.415 2.674 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC001256090200 1315903728 /nfs/dbraw/zinc/90/37/28/1315903728.db2.gz PBCJRGQTSNBLFL-HNNXBMFYSA-N 1 0 347.415 2.674 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094938 1315904510 /nfs/dbraw/zinc/90/45/10/1315904510.db2.gz REUARFCFWBRLJK-CVEARBPZSA-N 1 0 331.416 2.960 20 5 EFBDRO COc1cc(N2CCC([N@H+](C)[C@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256103556 1315904793 /nfs/dbraw/zinc/90/47/93/1315904793.db2.gz MKLCDJCWDLNOQZ-INIZCTEOSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@H]3COC(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101103 1315904934 /nfs/dbraw/zinc/90/49/34/1315904934.db2.gz MIRJWLVHJCYHOT-CQSZACIVSA-N 1 0 349.431 2.729 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001318478943 1328611885 /nfs/dbraw/zinc/61/18/85/1328611885.db2.gz BLHBGVBANICRKS-OLZOCXBDSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318481751 1328612832 /nfs/dbraw/zinc/61/28/32/1328612832.db2.gz UYVYTKSPOMZGBE-GDBMZVCRSA-N 1 0 346.431 2.772 20 5 EFBDRO O=CN1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000827877148 1316025263 /nfs/dbraw/zinc/02/52/63/1316025263.db2.gz IVTYKQXGJUWAFW-UHFFFAOYSA-N 1 0 345.424 2.987 20 5 EFBDRO Cc1c(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cccc1[N+](=O)[O-] ZINC001258019622 1316111986 /nfs/dbraw/zinc/11/19/86/1316111986.db2.gz OBZQVEIVBGUWMG-VXGBXAGGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)ccc1[N+](=O)[O-] ZINC001258018871 1316112097 /nfs/dbraw/zinc/11/20/97/1316112097.db2.gz HNFMGNQAMQOBKL-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC001258144618 1316124613 /nfs/dbraw/zinc/12/46/13/1316124613.db2.gz DCLXVEZMWZFCHS-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001040701046 1316354446 /nfs/dbraw/zinc/35/44/46/1316354446.db2.gz SLXKJDNVXGHZHL-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO O=C(c1ccoc1)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072467038 1316388722 /nfs/dbraw/zinc/38/87/22/1316388722.db2.gz WYVHWVSYNLSAQZ-UHFFFAOYSA-N 1 0 341.367 2.536 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001261439680 1316412404 /nfs/dbraw/zinc/41/24/04/1316412404.db2.gz SKCSXHJAYPXVBS-CQSZACIVSA-N 1 0 341.415 2.753 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001262082815 1316447328 /nfs/dbraw/zinc/44/73/28/1316447328.db2.gz ONPZAOVVMVPTER-ZIAGYGMSSA-N 1 0 336.367 2.872 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC001262563704 1316472428 /nfs/dbraw/zinc/47/24/28/1316472428.db2.gz MFAYERXYZPWEEB-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001262706542 1316482496 /nfs/dbraw/zinc/48/24/96/1316482496.db2.gz RRLZNNLMYFCOJU-STQMWFEESA-N 1 0 325.434 2.959 20 5 EFBDRO C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC001262812072 1316493441 /nfs/dbraw/zinc/49/34/41/1316493441.db2.gz JSXNWTFNGMZLLB-CYBMUJFWSA-N 1 0 346.431 2.721 20 5 EFBDRO C[C@@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001263196688 1316521305 /nfs/dbraw/zinc/52/13/05/1316521305.db2.gz AQOBJQGELHRTCS-CJNGLKHVSA-N 1 0 327.384 2.732 20 5 EFBDRO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001263196690 1316521430 /nfs/dbraw/zinc/52/14/30/1316521430.db2.gz ARGCJVZTRLESRQ-ZONNIGTESA-N 1 0 331.416 2.926 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001263626944 1316552175 /nfs/dbraw/zinc/55/21/75/1316552175.db2.gz QSSQGFULRWCEMC-GXTWGEPZSA-N 1 0 336.392 2.598 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001318764144 1328693008 /nfs/dbraw/zinc/69/30/08/1328693008.db2.gz QOIVBBSPZYTDBY-ZDUSSCGKSA-N 1 0 334.420 2.583 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C(C)(C)C)CC1 ZINC001319311717 1328842425 /nfs/dbraw/zinc/84/24/25/1328842425.db2.gz SNPZVTWBYSMQFG-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001319327470 1328851029 /nfs/dbraw/zinc/85/10/29/1328851029.db2.gz ZEMPZTFTLJXGPK-UKRRQHHQSA-N 1 0 349.456 2.700 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001319407090 1328875444 /nfs/dbraw/zinc/87/54/44/1328875444.db2.gz BEVVDOCBZBJWMY-STQMWFEESA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001319763191 1328979851 /nfs/dbraw/zinc/97/98/51/1328979851.db2.gz LSYDIGJIANJRHH-XOKHGSTOSA-N 1 0 348.447 2.774 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC001320052094 1329065865 /nfs/dbraw/zinc/06/58/65/1329065865.db2.gz LGICAPIJUVUEHL-CHWSQXEVSA-N 1 0 331.372 2.852 20 5 EFBDRO C[C@@H](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC001320076602 1329070732 /nfs/dbraw/zinc/07/07/32/1329070732.db2.gz IZAIMKIJKSSYEO-AWEZNQCLSA-N 1 0 346.431 2.885 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320127924 1329090949 /nfs/dbraw/zinc/09/09/49/1329090949.db2.gz WEJFQGVTHZRXFF-KGLIPLIRSA-N 1 0 341.358 2.676 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001320383538 1329120495 /nfs/dbraw/zinc/12/04/95/1329120495.db2.gz YAYJVNGVZHIDNR-KNXALSJPSA-N 1 0 337.395 2.826 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320454848 1329135464 /nfs/dbraw/zinc/13/54/64/1329135464.db2.gz QVMSKNZSZUUSOD-QWHCGFSZSA-N 1 0 337.445 2.919 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001320525685 1329153912 /nfs/dbraw/zinc/15/39/12/1329153912.db2.gz CXHLBIQUGIQESR-KRWDZBQOSA-N 1 0 339.395 2.989 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2CCC1CC2 ZINC001320559343 1329163978 /nfs/dbraw/zinc/16/39/78/1329163978.db2.gz HVLQOJLYZUKTQN-UHFFFAOYSA-N 1 0 331.372 2.767 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001321283216 1329367866 /nfs/dbraw/zinc/36/78/66/1329367866.db2.gz RZUTWBHVQWSGDI-GDBMZVCRSA-N 1 0 336.432 2.979 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001321282935 1329368132 /nfs/dbraw/zinc/36/81/32/1329368132.db2.gz NQVOYEWAPQJFMW-GDBMZVCRSA-N 1 0 336.432 2.979 20 5 EFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317703158 1328308663 /nfs/dbraw/zinc/30/86/63/1328308663.db2.gz WNKPRFVCDMZKIY-QWHCGFSZSA-N 1 0 343.383 2.660 20 5 EFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001317703154 1328308792 /nfs/dbraw/zinc/30/87/92/1328308792.db2.gz WNKPRFVCDMZKIY-CHWSQXEVSA-N 1 0 343.383 2.660 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001317948657 1328455150 /nfs/dbraw/zinc/45/51/50/1328455150.db2.gz SCXSAJICVQOFFQ-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001322535481 1329465877 /nfs/dbraw/zinc/46/58/77/1329465877.db2.gz RWPUAGASXBOVFR-GDBMZVCRSA-N 1 0 326.400 2.795 20 5 EFBDRO C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC001323272813 1329529402 /nfs/dbraw/zinc/52/94/02/1329529402.db2.gz BSFNBZYSKKMJTL-KBPBESRZSA-N 1 0 346.431 2.740 20 5 EFBDRO CC1(C)CC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC(C)(C)[NH2+]1 ZINC001323336596 1329535858 /nfs/dbraw/zinc/53/58/58/1329535858.db2.gz XZLSRBFEDORPKG-UHFFFAOYSA-N 1 0 346.431 2.929 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC001324594999 1329643352 /nfs/dbraw/zinc/64/33/52/1329643352.db2.gz NDNSECGNSMWVIE-LBPRGKRZSA-N 1 0 337.807 2.867 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001324599422 1329643641 /nfs/dbraw/zinc/64/36/41/1329643641.db2.gz LGEXMNNWEMWRGX-TZMCWYRMSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001325245534 1329676497 /nfs/dbraw/zinc/67/64/97/1329676497.db2.gz ZMLANRWBCBDXEI-HZMVEIRTSA-N 1 0 331.416 2.687 20 5 EFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001325840168 1329715710 /nfs/dbraw/zinc/71/57/10/1329715710.db2.gz JQZFTVVACNXFTI-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001326131582 1329734071 /nfs/dbraw/zinc/73/40/71/1329734071.db2.gz AYVXPIFHFHVTLN-MRXNPFEDSA-N 1 0 332.404 2.528 20 5 EFBDRO COCC1(c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)CC[NH2+]CC1 ZINC001326199016 1329738053 /nfs/dbraw/zinc/73/80/53/1329738053.db2.gz BSXKUXQVRIXJIP-UHFFFAOYSA-N 1 0 346.387 2.529 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001326352850 1329749738 /nfs/dbraw/zinc/74/97/38/1329749738.db2.gz UOYVIFZKMKCVAW-MRXNPFEDSA-N 1 0 326.400 2.969 20 5 EFBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC001326368004 1329750786 /nfs/dbraw/zinc/75/07/86/1329750786.db2.gz GZGZRBXIWMZAQS-CQSZACIVSA-N 1 0 348.447 2.559 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc3c(c2)CCC3)cc1 ZINC001326583615 1330321730 /nfs/dbraw/zinc/32/17/30/1330321730.db2.gz CFBIYAKPIQTPAD-LJQANCHMSA-N 1 0 342.395 2.786 20 5 EFBDRO C[C@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC001326845701 1330373598 /nfs/dbraw/zinc/37/35/98/1330373598.db2.gz WYVDMDXIXFZTRB-XJKSGUPXSA-N 1 0 331.416 2.820 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001326961385 1330390978 /nfs/dbraw/zinc/39/09/78/1330390978.db2.gz YPOVOMONXKADDU-INIZCTEOSA-N 1 0 326.400 2.797 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001327149948 1330431010 /nfs/dbraw/zinc/43/10/10/1330431010.db2.gz HSZKXRALBQDYRS-KDOFPFPSSA-N 1 0 342.399 2.917 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001327680397 1330507746 /nfs/dbraw/zinc/50/77/46/1330507746.db2.gz OMBKMHLTNKDBKA-INIZCTEOSA-N 1 0 341.415 2.586 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001327953458 1330534077 /nfs/dbraw/zinc/53/40/77/1330534077.db2.gz JBWJAEURMDBNKC-GFCCVEGCSA-N 1 0 337.807 2.867 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328555918 1330602561 /nfs/dbraw/zinc/60/25/61/1330602561.db2.gz FYZGMHPCMHEJLC-VHSXEESVSA-N 1 0 335.795 2.720 20 5 EFBDRO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329923644 1330752011 /nfs/dbraw/zinc/75/20/11/1330752011.db2.gz IFHBGMFQAKKEKN-UHFFFAOYSA-N 1 0 343.408 2.501 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC001331147399 1330798705 /nfs/dbraw/zinc/79/87/05/1330798705.db2.gz VMVXIHDPWKLOIT-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001331274089 1330813588 /nfs/dbraw/zinc/81/35/88/1330813588.db2.gz CXOPBOQVYBRKDX-RISCZKNCSA-N 1 0 336.367 2.682 20 5 EFBDRO COc1ccc(C[C@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC001331758192 1330872646 /nfs/dbraw/zinc/87/26/46/1330872646.db2.gz GRBMWEHCNGJXPD-ZDUSSCGKSA-N 1 0 332.404 2.671 20 5 EFBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCC(O)CC2)cccc1C(F)(F)F ZINC001332197465 1330938202 /nfs/dbraw/zinc/93/82/02/1330938202.db2.gz KTJXNDNZMHQIKE-UHFFFAOYSA-N 1 0 347.337 2.872 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001332313961 1330956727 /nfs/dbraw/zinc/95/67/27/1330956727.db2.gz SSEDKENOLCONTG-ZDUSSCGKSA-N 1 0 333.432 2.950 20 5 EFBDRO CC(C)(CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001332419437 1330969707 /nfs/dbraw/zinc/96/97/07/1330969707.db2.gz CGIMEPKJIBBLDB-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001333346323 1331122266 /nfs/dbraw/zinc/12/22/66/1331122266.db2.gz RXACSJCXPBBVSC-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501842 1331155761 /nfs/dbraw/zinc/15/57/61/1331155761.db2.gz FGIAIIGNYXSMBS-DGCLKSJQSA-N 1 0 336.367 2.824 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC001333539255 1331163869 /nfs/dbraw/zinc/16/38/69/1331163869.db2.gz XHIVAJRPJJUMAD-UHFFFAOYSA-N 1 0 345.403 2.521 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001333643706 1331186177 /nfs/dbraw/zinc/18/61/77/1331186177.db2.gz ROYLFKLZVIABCD-UHFFFAOYSA-N 1 0 331.416 2.817 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076472 1331245926 /nfs/dbraw/zinc/24/59/26/1331245926.db2.gz SKNGPEWPCKRWND-UHFFFAOYSA-N 1 0 326.372 2.930 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239300 1331269562 /nfs/dbraw/zinc/26/95/62/1331269562.db2.gz JEWZNRHKLMCBML-HOTGVXAUSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334279787 1331277001 /nfs/dbraw/zinc/27/70/01/1331277001.db2.gz URUHWPFPCNROCV-APHBMKBZSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810034 1331310446 /nfs/dbraw/zinc/31/04/46/1331310446.db2.gz XOSABPABRZCFMS-ZANVPECISA-N 1 0 329.194 2.560 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001335396749 1331342504 /nfs/dbraw/zinc/34/25/04/1331342504.db2.gz ICNTZRDBNKYRQP-COXVUDFISA-N 1 0 331.416 2.546 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001335467413 1331353177 /nfs/dbraw/zinc/35/31/77/1331353177.db2.gz OLNRTYMVFBUAGV-FZMZJTMJSA-N 1 0 343.387 2.584 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001335467419 1331354045 /nfs/dbraw/zinc/35/40/45/1331354045.db2.gz OLNRTYMVFBUAGV-SMDDNHRTSA-N 1 0 343.387 2.584 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCSc2ccccn2)cc1 ZINC001335500046 1331361331 /nfs/dbraw/zinc/36/13/31/1331361331.db2.gz ZNUGDLCJIKEIKO-OAHLLOKOSA-N 1 0 333.413 2.795 20 5 EFBDRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335512802 1331364583 /nfs/dbraw/zinc/36/45/83/1331364583.db2.gz JDAOIFNIDNJCDQ-NUEKZKHPSA-N 1 0 340.445 2.598 20 5 EFBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001335518235 1331366116 /nfs/dbraw/zinc/36/61/16/1331366116.db2.gz HYPZJLRXMCVGJM-YTQUADARSA-N 1 0 342.395 2.789 20 5 EFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001335552872 1331372178 /nfs/dbraw/zinc/37/21/78/1331372178.db2.gz XJWJCBSJJJYXDU-KOLCDFICSA-N 1 0 344.314 2.628 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335811926 1331405235 /nfs/dbraw/zinc/40/52/35/1331405235.db2.gz UIEFURWJYFZIHG-QGZVFWFLSA-N 1 0 331.416 2.600 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001336158990 1331440920 /nfs/dbraw/zinc/44/09/20/1331440920.db2.gz XDQMMQLVQJMRNM-HNNXBMFYSA-N 1 0 331.416 2.716 20 5 EFBDRO Nc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001336502881 1331480170 /nfs/dbraw/zinc/48/01/70/1331480170.db2.gz GKCDMMDEBVCDLQ-HNNXBMFYSA-N 1 0 341.415 2.549 20 5 EFBDRO C[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001336725208 1331496819 /nfs/dbraw/zinc/49/68/19/1331496819.db2.gz CSLKFABRYHJAKR-YGRLFVJLSA-N 1 0 346.353 2.660 20 5 EFBDRO CCOC(=O)c1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC001336746464 1331499301 /nfs/dbraw/zinc/49/93/01/1331499301.db2.gz BJEXVCGNYMXLHA-UHFFFAOYSA-N 1 0 335.385 2.560 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337034118 1331529688 /nfs/dbraw/zinc/52/96/88/1331529688.db2.gz HFWSJRPSXFOLCQ-ZIAGYGMSSA-N 1 0 333.436 2.663 20 5 EFBDRO CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001337094454 1331536069 /nfs/dbraw/zinc/53/60/69/1331536069.db2.gz JLFZNHQRASMBAN-NSHDSACASA-N 1 0 343.836 2.551 20 5 EFBDRO CC(C)[N@H+](CCO)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC001337269910 1331556047 /nfs/dbraw/zinc/55/60/47/1331556047.db2.gz WSOYAJITCKOGJI-UHFFFAOYSA-N 1 0 327.450 2.575 20 5 EFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001338318539 1331690869 /nfs/dbraw/zinc/69/08/69/1331690869.db2.gz GXJRCKUVXSRFCY-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])o1 ZINC001338336096 1331694400 /nfs/dbraw/zinc/69/44/00/1331694400.db2.gz QGPFDLGBQBWZOK-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO O=C(c1cc2c(s1)C[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001339823647 1332104866 /nfs/dbraw/zinc/10/48/66/1332104866.db2.gz WKUODNHUCLSPKR-UHFFFAOYSA-N 1 0 329.381 2.505 20 5 EFBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC001341005575 1332226436 /nfs/dbraw/zinc/22/64/36/1332226436.db2.gz PWZPUDOVOWNWFK-LBPRGKRZSA-N 1 0 343.358 2.820 20 5 EFBDRO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001341110040 1332235058 /nfs/dbraw/zinc/23/50/58/1332235058.db2.gz VBGCRYOXXIDKSL-LBPRGKRZSA-N 1 0 325.368 2.732 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001341201981 1332242136 /nfs/dbraw/zinc/24/21/36/1332242136.db2.gz SDJYVIFKMLGVMS-UHFFFAOYSA-N 1 0 344.415 2.561 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001341646194 1332273187 /nfs/dbraw/zinc/27/31/87/1332273187.db2.gz XXBKJZNMOBTWGR-BPNCWPANSA-N 1 0 335.429 2.516 20 5 EFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341659001 1332274335 /nfs/dbraw/zinc/27/43/35/1332274335.db2.gz LLIOKZWCTHUTOG-ZWKOTPCHSA-N 1 0 337.379 2.618 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)NC2CC3(CC([NH3+])C3)C2)cc1[N+](=O)[O-] ZINC001341988395 1332291741 /nfs/dbraw/zinc/29/17/41/1332291741.db2.gz IPOWZFKHCAQZON-UHFFFAOYSA-N 1 0 331.416 2.892 20 5 EFBDRO Cc1cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001342242872 1332322774 /nfs/dbraw/zinc/32/27/74/1332322774.db2.gz CBDNLAMJHLRBIN-SFHVURJKSA-N 1 0 325.368 2.773 20 5 EFBDRO C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943864 1332337078 /nfs/dbraw/zinc/33/70/78/1332337078.db2.gz MJLILWGZEDNURM-UGSOOPFHSA-N 1 0 339.395 2.702 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343534966 1332354591 /nfs/dbraw/zinc/35/45/91/1332354591.db2.gz YEZXVIYBBZGPNT-DZUCGIPZSA-N 1 0 330.384 2.868 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001344525118 1332460935 /nfs/dbraw/zinc/46/09/35/1332460935.db2.gz ZAJLWOYJNJQEAC-LSDHHAIUSA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001344876312 1332490586 /nfs/dbraw/zinc/49/05/86/1332490586.db2.gz SVKUVKICDPCEDO-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)C[C@H]2C1 ZINC001345466244 1332541244 /nfs/dbraw/zinc/54/12/44/1332541244.db2.gz NREZPANUYZLIAG-BETUJISGSA-N 1 0 340.383 2.773 20 5 EFBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001345634577 1332554773 /nfs/dbraw/zinc/55/47/73/1332554773.db2.gz JGYUFKFPMMHOPQ-SJORKVTESA-N 1 0 334.347 2.745 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC001345957867 1332588114 /nfs/dbraw/zinc/58/81/14/1332588114.db2.gz PXKBFTCFGBHDNM-LLVKDONJSA-N 1 0 334.401 2.509 20 5 EFBDRO COc1ccc(CC(=O)O[C@H](C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001345974732 1332589352 /nfs/dbraw/zinc/58/93/52/1332589352.db2.gz AVTSDXCLFOPYFH-CYBMUJFWSA-N 1 0 336.388 2.564 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001346124097 1332601639 /nfs/dbraw/zinc/60/16/39/1332601639.db2.gz ZPCHTNMONFUTGT-KDOFPFPSSA-N 1 0 329.400 2.761 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001346435617 1332640539 /nfs/dbraw/zinc/64/05/39/1332640539.db2.gz MNJSSQOSRDKJGU-KRWDZBQOSA-N 1 0 346.431 2.753 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346451506 1332642439 /nfs/dbraw/zinc/64/24/39/1332642439.db2.gz DFYSHSIXCZFNNK-DLBZAZTESA-N 1 0 344.415 2.637 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001347182017 1332722683 /nfs/dbraw/zinc/72/26/83/1332722683.db2.gz UHVHHJQMGPNPMX-LLVKDONJSA-N 1 0 349.822 2.969 20 5 EFBDRO COc1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC001347523545 1332752669 /nfs/dbraw/zinc/75/26/69/1332752669.db2.gz XQWZXEAAVFLZDP-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001348338981 1332826421 /nfs/dbraw/zinc/82/64/21/1332826421.db2.gz IROXTTAYEPEPFD-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001348545953 1332846950 /nfs/dbraw/zinc/84/69/50/1332846950.db2.gz DPSWPAHOFVJPQO-OAHLLOKOSA-N 1 0 327.388 2.688 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCC(CO)CC1)CCCC2 ZINC001348549676 1332847868 /nfs/dbraw/zinc/84/78/68/1332847868.db2.gz ASIFGKZLOHIHFA-IBGZPJMESA-N 1 0 347.459 2.656 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349872559 1333007902 /nfs/dbraw/zinc/00/79/02/1333007902.db2.gz BEKMHSXHKDLIAG-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC001350440974 1333082999 /nfs/dbraw/zinc/08/29/99/1333082999.db2.gz OEINWPWZOILNHZ-CQSZACIVSA-N 1 0 348.447 2.877 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001351289366 1333206377 /nfs/dbraw/zinc/20/63/77/1333206377.db2.gz SOHQJGXIUXCOMJ-CYBMUJFWSA-N 1 0 331.210 2.854 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001351940749 1333328836 /nfs/dbraw/zinc/32/88/36/1333328836.db2.gz YXLLVKOOTHTISM-MSOLQXFVSA-N 1 0 343.427 2.689 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001352065680 1333371454 /nfs/dbraw/zinc/37/14/54/1333371454.db2.gz DLLAMADUEMXIQV-UHFFFAOYSA-N 1 0 333.779 2.755 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000847254931 1333449394 /nfs/dbraw/zinc/44/93/94/1333449394.db2.gz HXUKAIDLRVLMMB-KBPBESRZSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001353309722 1334082575 /nfs/dbraw/zinc/08/25/75/1334082575.db2.gz HUIBADRPEQWQAZ-WDYCEAGBSA-N 1 0 342.395 2.555 20 5 EFBDRO O=C(CC1CCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002537359 1334361657 /nfs/dbraw/zinc/36/16/57/1334361657.db2.gz WFILOLUOPBEQJZ-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848300742 1334598565 /nfs/dbraw/zinc/59/85/65/1334598565.db2.gz BEVYMVTYQLEVLL-JXMROGBWSA-N 1 0 331.416 2.941 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000848301545 1334601912 /nfs/dbraw/zinc/60/19/12/1334601912.db2.gz IODGXJBGGQEWRZ-UHFFFAOYSA-N 1 0 337.395 2.989 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000848482915 1334739221 /nfs/dbraw/zinc/73/92/21/1334739221.db2.gz VAJAYYHOOMYPSX-LSDHHAIUSA-N 1 0 342.399 2.774 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000848482914 1334739300 /nfs/dbraw/zinc/73/93/00/1334739300.db2.gz VAJAYYHOOMYPSX-HUUCEWRRSA-N 1 0 342.399 2.774 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001355328310 1334742297 /nfs/dbraw/zinc/74/22/97/1334742297.db2.gz JJLFSRLPTNRESA-UHFFFAOYSA-N 1 0 339.395 2.728 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848520164 1334770730 /nfs/dbraw/zinc/77/07/30/1334770730.db2.gz WQRGIVNMULGJIO-SJLPKXTDSA-N 1 0 328.368 2.914 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848531692 1334778313 /nfs/dbraw/zinc/77/83/13/1334778313.db2.gz RSVXGKDLRLDGLC-AWEZNQCLSA-N 1 0 333.388 2.791 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557097 1334793854 /nfs/dbraw/zinc/79/38/54/1334793854.db2.gz CKWVAPUUYJQZCB-ZBEGNZNMSA-N 1 0 340.383 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848656299 1334827465 /nfs/dbraw/zinc/82/74/65/1334827465.db2.gz KEBAEUFGDROABO-CABCVRRESA-N 1 0 334.445 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848795840 1334904903 /nfs/dbraw/zinc/90/49/03/1334904903.db2.gz NEKOCZFNASWNDB-CQSZACIVSA-N 1 0 339.823 2.939 20 5 EFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001356498368 1335044804 /nfs/dbraw/zinc/04/48/04/1335044804.db2.gz DJYPTRNEODTPAZ-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001356510013 1335045814 /nfs/dbraw/zinc/04/58/14/1335045814.db2.gz AHBFRZBUSUDFBG-IINYFYTJSA-N 1 0 346.353 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC001356532326 1335049371 /nfs/dbraw/zinc/04/93/71/1335049371.db2.gz JHVDEXZRYAYJAU-SFHVURJKSA-N 1 0 329.400 2.590 20 5 EFBDRO C[C@@](O)(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001356610580 1335063743 /nfs/dbraw/zinc/06/37/43/1335063743.db2.gz SNTOGGRKHMPPNA-ZWKOTPCHSA-N 1 0 330.384 2.516 20 5 EFBDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000849066170 1335067243 /nfs/dbraw/zinc/06/72/43/1335067243.db2.gz DRQRPDPEYWBGQQ-UHFFFAOYSA-N 1 0 344.371 2.791 20 5 EFBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C[NH2+]1 ZINC000235668971 1418284495 /nfs/dbraw/zinc/28/44/95/1418284495.db2.gz UQACUEOKMGMZBA-UWVGGRQHSA-N 1 0 328.210 2.540 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000245927327 1419515638 /nfs/dbraw/zinc/51/56/38/1419515638.db2.gz UHIZSVPBGBVZHI-SUMWQHHRSA-N 1 0 330.388 2.711 20 5 EFBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(C)(F)F ZINC001753257227 1426332580 /nfs/dbraw/zinc/33/25/80/1426332580.db2.gz OSJSMNNZRJJQBN-UHFFFAOYSA-N 1 0 343.374 2.824 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CCC1 ZINC001020440657 713007367 /nfs/dbraw/zinc/00/73/67/713007367.db2.gz MRZGQSNAVOHKFY-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001020491160 713072471 /nfs/dbraw/zinc/07/24/71/713072471.db2.gz AVMVEDHMEPVPTO-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC=CC1 ZINC001020544913 713130386 /nfs/dbraw/zinc/13/03/86/713130386.db2.gz BWBOIDBDFXMDMV-SHTZXODSSA-N 1 0 329.400 2.688 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CC2)C1 ZINC001020569032 713214467 /nfs/dbraw/zinc/21/44/67/713214467.db2.gz HWFRJEFQVWGBHE-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000804778671 713467133 /nfs/dbraw/zinc/46/71/33/713467133.db2.gz ZOCGHKLEUFFUPR-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000893624017 717903318 /nfs/dbraw/zinc/90/33/18/717903318.db2.gz LLRYATAVXGYASC-KGLIPLIRSA-N 1 0 338.404 2.991 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCOC1 ZINC000235525217 713594824 /nfs/dbraw/zinc/59/48/24/713594824.db2.gz AFIRBHHHQOLKSW-ONGXEEELSA-N 1 0 329.194 2.872 20 5 EFBDRO CCCC[N@H+](C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892492198 717950819 /nfs/dbraw/zinc/95/08/19/717950819.db2.gz MCBZESHGORAZSI-UHFFFAOYSA-N 1 0 332.404 2.591 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021798076 714486949 /nfs/dbraw/zinc/48/69/49/714486949.db2.gz OHOBHRZGSRCROW-GASCZTMLSA-N 1 0 345.424 2.636 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001021803545 714493685 /nfs/dbraw/zinc/49/36/85/714493685.db2.gz MCAWAEVBULVBNA-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021837073 714551588 /nfs/dbraw/zinc/55/15/88/714551588.db2.gz GUXZGTVDJLUQOD-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001022010569 714646482 /nfs/dbraw/zinc/64/64/82/714646482.db2.gz YIOPGGGZQGSXRU-GASCZTMLSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933331515 714666635 /nfs/dbraw/zinc/66/66/35/714666635.db2.gz FEHWFIHMXCKAGK-JCGIZDLHSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000255332913 714677367 /nfs/dbraw/zinc/67/73/67/714677367.db2.gz CPIGNKSQSAEDHA-KKTNHOPESA-N 1 0 331.416 2.845 20 5 EFBDRO CC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000157908931 714745328 /nfs/dbraw/zinc/74/53/28/714745328.db2.gz FHJAOSKNCGELIR-YPMHNXCESA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161014133 714758526 /nfs/dbraw/zinc/75/85/26/714758526.db2.gz WQJAAFSKQLDNTR-JHJVBQTASA-N 1 0 337.395 2.830 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1C=CC=CC=C1 ZINC001022146331 714823868 /nfs/dbraw/zinc/82/38/68/714823868.db2.gz BSDXKYDWXHYTSK-GASCZTMLSA-N 1 0 345.424 2.692 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000891647337 714896373 /nfs/dbraw/zinc/89/63/73/714896373.db2.gz NUKVKHQAJYEPEF-ARFHVFGLSA-N 1 0 332.404 2.582 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC001022245576 714912930 /nfs/dbraw/zinc/91/29/30/714912930.db2.gz DHDJQVGPVDIQLX-BETUJISGSA-N 1 0 335.429 2.583 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC001022245851 714913301 /nfs/dbraw/zinc/91/33/01/714913301.db2.gz LRTFKXDUQASBGQ-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO COc1c(O)ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000891749446 714995017 /nfs/dbraw/zinc/99/50/17/714995017.db2.gz YMTTYJRWAIZZIH-OAHLLOKOSA-N 1 0 349.431 2.759 20 5 EFBDRO C[C@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000891752363 714996622 /nfs/dbraw/zinc/99/66/22/714996622.db2.gz ZQABSBFPFXSUAF-KBXCAEBGSA-N 1 0 346.431 2.831 20 5 EFBDRO CC[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000891810824 715032980 /nfs/dbraw/zinc/03/29/80/715032980.db2.gz XNZITJIXQNRJCP-CYBMUJFWSA-N 1 0 344.415 2.733 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000891836975 715051558 /nfs/dbraw/zinc/05/15/58/715051558.db2.gz BLLIJUJRQYLBSJ-CYBMUJFWSA-N 1 0 344.415 2.591 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000891897045 715100531 /nfs/dbraw/zinc/10/05/31/715100531.db2.gz ATMUWRWLJWPHBT-IHRRRGAJSA-N 1 0 334.420 2.840 20 5 EFBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2C)c2cc([N+](=O)[O-])ccc12 ZINC000121272776 715213231 /nfs/dbraw/zinc/21/32/31/715213231.db2.gz HQHFMTCFDBZMAZ-UHFFFAOYSA-N 1 0 342.403 2.737 20 5 EFBDRO Cc1nn(C[N@H+](C)CCc2nccs2)c2cc([N+](=O)[O-])ccc12 ZINC000121277715 715213382 /nfs/dbraw/zinc/21/33/82/715213382.db2.gz AJCMMAAMKLHWTF-UHFFFAOYSA-N 1 0 331.401 2.841 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892122704 715264014 /nfs/dbraw/zinc/26/40/14/715264014.db2.gz ANHDPHFYVSDNJH-ZDUSSCGKSA-N 1 0 344.415 2.591 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236166 715274257 /nfs/dbraw/zinc/27/42/57/715274257.db2.gz MFWBBHVMZVXBLM-QWHCGFSZSA-N 1 0 328.372 2.538 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CC2)C1 ZINC001022687881 715305750 /nfs/dbraw/zinc/30/57/50/715305750.db2.gz QQHOIIXHUZCRLL-GASCZTMLSA-N 1 0 329.400 2.522 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000727708860 724389667 /nfs/dbraw/zinc/38/96/67/724389667.db2.gz MZVJCRRQTJNKQL-MNOVXSKESA-N 1 0 341.358 2.866 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000727708861 724390025 /nfs/dbraw/zinc/39/00/25/724390025.db2.gz MZVJCRRQTJNKQL-QWRGUYRKSA-N 1 0 341.358 2.866 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000893454352 715569102 /nfs/dbraw/zinc/56/91/02/715569102.db2.gz UIIPTFGWWIAGSG-GXTWGEPZSA-N 1 0 334.420 2.605 20 5 EFBDRO COc1ccc(C[N@H+](CCCO)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000934509492 715572747 /nfs/dbraw/zinc/57/27/47/715572747.db2.gz XZMAFEKJLRPRCB-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000934547725 715633948 /nfs/dbraw/zinc/63/39/48/715633948.db2.gz IDPDQXQYHYXMNT-OLMNPRSZSA-N 1 0 345.443 2.792 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)[nH]1 ZINC001022780480 715649287 /nfs/dbraw/zinc/64/92/87/715649287.db2.gz ZFEOINQKAWWFHA-GASCZTMLSA-N 1 0 342.399 2.590 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000176734769 715721056 /nfs/dbraw/zinc/72/10/56/715721056.db2.gz GLISLGVNJMZVNA-UHFFFAOYSA-N 1 0 335.379 2.743 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176755180 715933249 /nfs/dbraw/zinc/93/32/49/715933249.db2.gz UOKRWYJBXXAYKV-WCQYABFASA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000176791980 716197453 /nfs/dbraw/zinc/19/74/53/716197453.db2.gz GTTCQYPLKXYCDS-CYBMUJFWSA-N 1 0 337.395 2.893 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000935277048 716887981 /nfs/dbraw/zinc/88/79/81/716887981.db2.gz QTWNARDOUBTBSI-AWEZNQCLSA-N 1 0 339.823 2.780 20 5 EFBDRO COc1c(O)ccc(CNCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000892408281 717128795 /nfs/dbraw/zinc/12/87/95/717128795.db2.gz BDFFINXFZVSWAV-UHFFFAOYSA-N 1 0 325.409 2.517 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCC2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000893564568 717342385 /nfs/dbraw/zinc/34/23/85/717342385.db2.gz SDHDCHYOVBLAEF-UHFFFAOYSA-N 1 0 338.404 2.994 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000738523002 724452683 /nfs/dbraw/zinc/45/26/83/724452683.db2.gz ZPIAABRHZYOHBR-UHFFFAOYSA-N 1 0 342.399 2.511 20 5 EFBDRO CC(C)c1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137991 718144020 /nfs/dbraw/zinc/14/40/20/718144020.db2.gz JUJBBKXUUMMYQN-QZTJIDSGSA-N 1 0 345.443 2.510 20 5 EFBDRO O=C(NCc1ccn2ccnc2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178058150 718243882 /nfs/dbraw/zinc/24/38/82/718243882.db2.gz KFNOUNNRGHQVQR-UHFFFAOYSA-N 1 0 330.731 2.826 20 5 EFBDRO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C2CC2)CC1 ZINC000892635617 718361547 /nfs/dbraw/zinc/36/15/47/718361547.db2.gz JIYBJSUYTJDCTI-UHFFFAOYSA-N 1 0 340.383 2.956 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000892668111 718413523 /nfs/dbraw/zinc/41/35/23/718413523.db2.gz BZOYCQKPDQCOAB-FZMZJTMJSA-N 1 0 335.433 2.885 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000892668113 718413810 /nfs/dbraw/zinc/41/38/10/718413810.db2.gz BZOYCQKPDQCOAB-SMDDNHRTSA-N 1 0 335.433 2.885 20 5 EFBDRO C/C=C(/C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981698377 718954224 /nfs/dbraw/zinc/95/42/24/718954224.db2.gz BWESNNSPWSNFSO-CQPUUCJISA-N 1 0 343.427 2.985 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001164615137 719036562 /nfs/dbraw/zinc/03/65/62/719036562.db2.gz KAIVTOBWCXYCFJ-UHFFFAOYSA-N 1 0 346.765 2.624 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892807872 719198706 /nfs/dbraw/zinc/19/87/06/719198706.db2.gz ZMJDYCXKEUWYSR-LBPRGKRZSA-N 1 0 327.768 2.569 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000892851358 719235051 /nfs/dbraw/zinc/23/50/51/719235051.db2.gz HSAHHKPXRQXNMC-UHFFFAOYSA-N 1 0 338.310 2.920 20 5 EFBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@@H](C)C[N@@H+]1C ZINC001164638496 719256553 /nfs/dbraw/zinc/25/65/53/719256553.db2.gz ZZBJMTKPQZGBGA-ZJUUUORDSA-N 1 0 335.795 2.720 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1cccs1 ZINC001025659113 719291142 /nfs/dbraw/zinc/29/11/42/719291142.db2.gz BRESSPHJGTWZMV-VIKVFOODSA-N 1 0 343.408 2.517 20 5 EFBDRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)C1 ZINC001025764719 719310331 /nfs/dbraw/zinc/31/03/31/719310331.db2.gz HRHILAKLGFEBBY-FVQHAEBGSA-N 1 0 343.427 2.577 20 5 EFBDRO CC(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)=C1CCC1 ZINC001025773076 719310569 /nfs/dbraw/zinc/31/05/69/719310569.db2.gz AVCUXLKFNCANGP-PIIMJCKOSA-N 1 0 341.411 2.642 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCC2 ZINC000892958527 719345847 /nfs/dbraw/zinc/34/58/47/719345847.db2.gz BRHZLEZICDBCHH-ZIAGYGMSSA-N 1 0 336.388 2.746 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCC2 ZINC000892958524 719345958 /nfs/dbraw/zinc/34/59/58/719345958.db2.gz BRHZLEZICDBCHH-KBPBESRZSA-N 1 0 336.388 2.746 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)Oc2ccccc2)c1[N+](=O)[O-] ZINC000892977971 719380485 /nfs/dbraw/zinc/38/04/85/719380485.db2.gz ZPFYWORXKSHCFD-GFCCVEGCSA-N 1 0 332.356 2.866 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001019947876 719414771 /nfs/dbraw/zinc/41/47/71/719414771.db2.gz BBVALFJYPYJFPM-HDJSIYSDSA-N 1 0 337.445 2.973 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccsc1 ZINC001019974349 719419138 /nfs/dbraw/zinc/41/91/38/719419138.db2.gz SOKJMWVQPMNXHM-HDJSIYSDSA-N 1 0 331.397 2.707 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCC1 ZINC001020328837 719490274 /nfs/dbraw/zinc/49/02/74/719490274.db2.gz MTVWFBNIMYPJDY-HDJSIYSDSA-N 1 0 335.379 2.614 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893092695 719624971 /nfs/dbraw/zinc/62/49/71/719624971.db2.gz MVRJQMHWTIENOH-LYRGGWFBSA-N 1 0 336.388 2.602 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000261581448 719668553 /nfs/dbraw/zinc/66/85/53/719668553.db2.gz GBBQARZCZYTTNJ-INTQDDNPSA-N 1 0 326.194 2.531 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000261635310 719813681 /nfs/dbraw/zinc/81/36/81/719813681.db2.gz WKYGPCKJLKDFSK-ZDUSSCGKSA-N 1 0 328.210 2.528 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000893802083 720089314 /nfs/dbraw/zinc/08/93/14/720089314.db2.gz RMZSIMWKOJDMIN-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893904458 720148306 /nfs/dbraw/zinc/14/83/06/720148306.db2.gz GJZVOYAHIYVYAT-LBPRGKRZSA-N 1 0 332.404 2.587 20 5 EFBDRO CC1(C)OC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000894081778 720263032 /nfs/dbraw/zinc/26/30/32/720263032.db2.gz CWCBEQRFWWSVRB-LBPRGKRZSA-N 1 0 334.294 2.855 20 5 EFBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000841103903 720354528 /nfs/dbraw/zinc/35/45/28/720354528.db2.gz SEJGLHAJVVIDGM-UWVGGRQHSA-N 1 0 326.784 2.697 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927701342 720751624 /nfs/dbraw/zinc/75/16/24/720751624.db2.gz AXRJDGVVWWFRAT-UHFFFAOYSA-N 1 0 342.399 2.911 20 5 EFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])ccn1)[C@H]2C ZINC001164862273 720921667 /nfs/dbraw/zinc/92/16/67/720921667.db2.gz VKQAGGZQERIOKV-ZDUSSCGKSA-N 1 0 344.419 2.608 20 5 EFBDRO CNC(=O)c1ccc(NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000261751517 721068918 /nfs/dbraw/zinc/06/89/18/721068918.db2.gz UUNDXACAEFBOAI-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO C[C@H]1CCC[C@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000025484265 721108024 /nfs/dbraw/zinc/10/80/24/721108024.db2.gz YYZIUYXMLIXAKZ-RYUDHWBXSA-N 1 0 331.372 2.659 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000261809587 721706697 /nfs/dbraw/zinc/70/66/97/721706697.db2.gz SFLBXUUQGVLXOY-YPMHNXCESA-N 1 0 340.221 2.541 20 5 EFBDRO CN(C)/C=C/c1cc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165032038 721859370 /nfs/dbraw/zinc/85/93/70/721859370.db2.gz KLQYDLDYAKDWPH-BQYQJAHWSA-N 1 0 345.447 2.587 20 5 EFBDRO CN(C)/C=C\c1cc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165032039 721859620 /nfs/dbraw/zinc/85/96/20/721859620.db2.gz KLQYDLDYAKDWPH-FPLPWBNLSA-N 1 0 345.447 2.587 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983174073 721873062 /nfs/dbraw/zinc/87/30/62/721873062.db2.gz BHKLOIVXJQPGMC-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264658374 721896989 /nfs/dbraw/zinc/89/69/89/721896989.db2.gz KXZQFBWVDSGOQT-MRXNPFEDSA-N 1 0 341.415 2.891 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001165042612 721936650 /nfs/dbraw/zinc/93/66/50/721936650.db2.gz JTHPSCJAZUFAJV-UHFFFAOYSA-N 1 0 341.415 2.830 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC000894424038 722732817 /nfs/dbraw/zinc/73/28/17/722732817.db2.gz WCMVEBMBMYEQDY-UHFFFAOYSA-N 1 0 336.388 2.700 20 5 EFBDRO [NH3+]CCN(Cc1cnn(CC2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000894454542 722740212 /nfs/dbraw/zinc/74/02/12/722740212.db2.gz WIEOOSVYNQJBIM-UHFFFAOYSA-N 1 0 329.404 2.557 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000894645389 722807428 /nfs/dbraw/zinc/80/74/28/722807428.db2.gz LQAGSWCSJZGLJQ-KRWDZBQOSA-N 1 0 338.404 2.540 20 5 EFBDRO O=[N+]([O-])c1nn(C[N@H+](C2CC2)C2CCCC2)cc1Br ZINC000917615201 728768513 /nfs/dbraw/zinc/76/85/13/728768513.db2.gz IMCXTDXAMRGFKM-UHFFFAOYSA-N 1 0 329.198 2.918 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1[N+](=O)[O-] ZINC000894677901 722813725 /nfs/dbraw/zinc/81/37/25/722813725.db2.gz XKZAWYSUZUYMBL-OAHLLOKOSA-N 1 0 346.383 2.656 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000894711783 722823640 /nfs/dbraw/zinc/82/36/40/722823640.db2.gz LTMUWQXEOFEYEM-GFCCVEGCSA-N 1 0 336.388 2.748 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000984619164 723183397 /nfs/dbraw/zinc/18/33/97/723183397.db2.gz ZFPQQDCTHBHOJJ-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000896512907 723323461 /nfs/dbraw/zinc/32/34/61/723323461.db2.gz WXBMXYYYVJURMX-CQSZACIVSA-N 1 0 349.431 2.663 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@@H](C)[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000262139523 723374964 /nfs/dbraw/zinc/37/49/64/723374964.db2.gz YYGQPZCJUNRSKH-IAQYHMDHSA-N 1 0 331.372 2.642 20 5 EFBDRO CCOC(=O)c1cc(N2CCc3c(ncn3CC)C2)ccc1[N+](=O)[O-] ZINC000896660131 723421175 /nfs/dbraw/zinc/42/11/75/723421175.db2.gz RKCBKERNHDDINR-UHFFFAOYSA-N 1 0 344.371 2.551 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000896651757 723423899 /nfs/dbraw/zinc/42/38/99/723423899.db2.gz XZHGVWVSOTWUOP-AWEZNQCLSA-N 1 0 329.404 2.705 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000896838007 723535009 /nfs/dbraw/zinc/53/50/09/723535009.db2.gz AHVRVLOEQOXCOE-CQSZACIVSA-N 1 0 331.338 2.754 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000909556044 723793313 /nfs/dbraw/zinc/79/33/13/723793313.db2.gz JQSLZECBEZHZNH-UHFFFAOYSA-N 1 0 343.786 2.992 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896908009 723851803 /nfs/dbraw/zinc/85/18/03/723851803.db2.gz UGJHHXZXVZWGDY-HNNXBMFYSA-N 1 0 335.404 2.736 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985200218 723968715 /nfs/dbraw/zinc/96/87/15/723968715.db2.gz KZEOQSLIGZVKKF-UHFFFAOYSA-N 1 0 343.424 2.827 20 5 EFBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000895276122 723969486 /nfs/dbraw/zinc/96/94/86/723969486.db2.gz RQUMUSYBRUDWKK-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO Cc1c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000895278798 723977617 /nfs/dbraw/zinc/97/76/17/723977617.db2.gz OSFLPEKZZYVKIM-CYBMUJFWSA-N 1 0 340.383 2.649 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)CC2CC2)CC1 ZINC000985207472 723988439 /nfs/dbraw/zinc/98/84/39/723988439.db2.gz XVISJTCKTAWOFE-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895330424 724042842 /nfs/dbraw/zinc/04/28/42/724042842.db2.gz LVHZGMIHJSGBRC-RHSMWYFYSA-N 1 0 348.424 2.641 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139257 724049155 /nfs/dbraw/zinc/04/91/55/724049155.db2.gz JOYLDXZJGCGEJK-INIZCTEOSA-N 1 0 331.416 2.959 20 5 EFBDRO COCCN(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237261615 724078223 /nfs/dbraw/zinc/07/82/23/724078223.db2.gz NNYPRIZKFAMHEF-UHFFFAOYSA-N 1 0 349.456 2.991 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](OC)C2CCCCC2)c1[N+](=O)[O-] ZINC000895454554 724145006 /nfs/dbraw/zinc/14/50/06/724145006.db2.gz DZMJSGPLKMOGBV-HNNXBMFYSA-N 1 0 338.404 2.994 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000985344687 724147703 /nfs/dbraw/zinc/14/77/03/724147703.db2.gz BTXNMMYTXIQWEV-BQYQJAHWSA-N 1 0 343.427 2.984 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000985351866 724158552 /nfs/dbraw/zinc/15/85/52/724158552.db2.gz JQKHODUJOZOQTD-UHFFFAOYSA-N 1 0 343.427 2.984 20 5 EFBDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000895585001 724207420 /nfs/dbraw/zinc/20/74/20/724207420.db2.gz WYOHHCVKQOGEDB-IYBDPMFKSA-N 1 0 331.416 2.628 20 5 EFBDRO CCO/C=C/[C@@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895713857 724273997 /nfs/dbraw/zinc/27/39/97/724273997.db2.gz OZJCLZSDDZHPDR-QSYFUGGGSA-N 1 0 348.321 2.571 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1C ZINC000895788335 724314360 /nfs/dbraw/zinc/31/43/60/724314360.db2.gz PXEGDYSXJXHZRF-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000918571501 728893683 /nfs/dbraw/zinc/89/36/83/728893683.db2.gz BTKZXODBJMOXES-KBPBESRZSA-N 1 0 348.447 2.654 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000918574382 728894472 /nfs/dbraw/zinc/89/44/72/728894472.db2.gz ONQZTIJDZMRLOW-KGLIPLIRSA-N 1 0 348.447 2.511 20 5 EFBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732003590 726974980 /nfs/dbraw/zinc/97/49/80/726974980.db2.gz ATHWSJFMPHDEPP-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006822 726975763 /nfs/dbraw/zinc/97/57/63/726975763.db2.gz HOOWUYCZSBZXSB-UHFFFAOYSA-N 1 0 349.412 2.873 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907649570 726990629 /nfs/dbraw/zinc/99/06/29/726990629.db2.gz GXIITJNTHUPDEH-UHFFFAOYSA-N 1 0 331.775 2.801 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908268231 727146209 /nfs/dbraw/zinc/14/62/09/727146209.db2.gz MMALKIWGEAJWKM-UHFFFAOYSA-N 1 0 348.447 2.566 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732568462 727158635 /nfs/dbraw/zinc/15/86/35/727158635.db2.gz UUDIRBMXQMXWFU-ZDUSSCGKSA-N 1 0 346.431 2.629 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000888284967 727226989 /nfs/dbraw/zinc/22/69/89/727226989.db2.gz PWAFNUUEVWEGDY-UHFFFAOYSA-N 1 0 326.784 2.726 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000909261709 727354448 /nfs/dbraw/zinc/35/44/48/727354448.db2.gz LQMILRGRCPGANQ-JTQLQIEISA-N 1 0 343.786 2.944 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269764 727425562 /nfs/dbraw/zinc/42/55/62/727425562.db2.gz HABXUCOKEWPKGH-AWEZNQCLSA-N 1 0 347.415 2.500 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910270150 727425593 /nfs/dbraw/zinc/42/55/93/727425593.db2.gz LALBHDIDLKLYBR-RRQGHBQHSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910284209 727427341 /nfs/dbraw/zinc/42/73/41/727427341.db2.gz OJVUBEIFQGIJRD-GFCCVEGCSA-N 1 0 341.358 2.629 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000910295129 727431118 /nfs/dbraw/zinc/43/11/18/727431118.db2.gz XKMGPZVSCPJGRO-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911736800 727590519 /nfs/dbraw/zinc/59/05/19/727590519.db2.gz OKAGHSAHUXDRIL-ZWKOTPCHSA-N 1 0 339.395 2.516 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000911820145 727603116 /nfs/dbraw/zinc/60/31/16/727603116.db2.gz CNJQPIMDRMOOIG-ABAIWWIYSA-N 1 0 339.823 2.767 20 5 EFBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840228 727606110 /nfs/dbraw/zinc/60/61/10/727606110.db2.gz ICZVSHCVAXYNCW-ROUUACIJSA-N 1 0 343.427 2.689 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911864140 727608203 /nfs/dbraw/zinc/60/82/03/727608203.db2.gz NCOMLPVUXHTSMI-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000911907481 727621157 /nfs/dbraw/zinc/62/11/57/727621157.db2.gz ZQKDCHXIGHPTAL-UHFFFAOYSA-N 1 0 346.412 2.846 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000733169232 727709710 /nfs/dbraw/zinc/70/97/10/727709710.db2.gz PLWKITXJNHTNDX-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000912592042 727727613 /nfs/dbraw/zinc/72/76/13/727727613.db2.gz KTLLGFARXHSCCK-UHFFFAOYSA-N 1 0 335.404 2.694 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000912683424 727734521 /nfs/dbraw/zinc/73/45/21/727734521.db2.gz IZTSLNOBQCCEIO-SNVBAGLBSA-N 1 0 329.759 2.601 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1cccc(F)c1 ZINC000912728225 727738454 /nfs/dbraw/zinc/73/84/54/727738454.db2.gz FCNIRDXPHDRFLI-AWEZNQCLSA-N 1 0 345.334 2.985 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000150927913 727739210 /nfs/dbraw/zinc/73/92/10/727739210.db2.gz NUSGHVCODICWSF-CQSZACIVSA-N 1 0 349.406 2.990 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912813115 727746610 /nfs/dbraw/zinc/74/66/10/727746610.db2.gz FWWSNTJOSABAIC-RHSMWYFYSA-N 1 0 349.431 2.552 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000912811281 727747313 /nfs/dbraw/zinc/74/73/13/727747313.db2.gz HMHRHIHEKKUSSA-LRDDRELGSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000912812281 727747528 /nfs/dbraw/zinc/74/75/28/727747528.db2.gz VCXPMLUWTNENRB-DOMZBBRYSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000912816010 727749049 /nfs/dbraw/zinc/74/90/49/727749049.db2.gz SQRJJJZVDUWVPD-NEPJUHHUSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917074415 727763351 /nfs/dbraw/zinc/76/33/51/727763351.db2.gz LJRRVTSOULOGOT-VXGBXAGGSA-N 1 0 333.392 2.911 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917074414 727763408 /nfs/dbraw/zinc/76/34/08/727763408.db2.gz LJRRVTSOULOGOT-TXEJJXNPSA-N 1 0 333.392 2.911 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103179 727783100 /nfs/dbraw/zinc/78/31/00/727783100.db2.gz KTLDPKGOOAGSEZ-ZFWWWQNUSA-N 1 0 343.383 2.828 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000917416684 727805120 /nfs/dbraw/zinc/80/51/20/727805120.db2.gz KZCVLPQRTYNQBO-OAHLLOKOSA-N 1 0 338.310 2.705 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@]4(CCOC4)C3)c2c1 ZINC000151256560 727814634 /nfs/dbraw/zinc/81/46/34/727814634.db2.gz OVIFHFDPRJMDCU-HNNXBMFYSA-N 1 0 335.385 2.942 20 5 EFBDRO C[NH+](C)C1(C)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000913393904 727833836 /nfs/dbraw/zinc/83/38/36/727833836.db2.gz DYDOBTMPPSQSCU-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841102683 728317063 /nfs/dbraw/zinc/31/70/63/728317063.db2.gz INPJMJIEOPYFDF-UHFFFAOYSA-N 1 0 338.795 2.856 20 5 EFBDRO Cc1cccc2c1CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000170921985 728496103 /nfs/dbraw/zinc/49/61/03/728496103.db2.gz VACZZNLIFFZCPA-QGZVFWFLSA-N 1 0 342.395 2.701 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000173447268 728626759 /nfs/dbraw/zinc/62/67/59/728626759.db2.gz GZPRYLAQYDMGQM-CQSZACIVSA-N 1 0 331.420 2.566 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173827578 728636488 /nfs/dbraw/zinc/63/64/88/728636488.db2.gz RBEYTQASNPPKDQ-INIZCTEOSA-N 1 0 329.400 2.966 20 5 EFBDRO Cc1cc(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)oc1C ZINC001031610635 729071756 /nfs/dbraw/zinc/07/17/56/729071756.db2.gz ORXXABMTPFHGTD-UHFFFAOYSA-N 1 0 343.383 2.666 20 5 EFBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000920463337 729185514 /nfs/dbraw/zinc/18/55/14/729185514.db2.gz CERHODXRPRPWGC-FZXWVIKQSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000920741354 729222057 /nfs/dbraw/zinc/22/20/57/729222057.db2.gz LDLMJMNOPZNSLA-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000921384766 729301976 /nfs/dbraw/zinc/30/19/76/729301976.db2.gz WZBMFWCTCNKYEH-OUCADQQQSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@@H](C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000905778928 981150352 /nfs/dbraw/zinc/15/03/52/981150352.db2.gz ZNHDGSBMBSIARJ-AWEZNQCLSA-N 1 0 349.431 2.617 20 5 EFBDRO C[NH+](C)CCCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598213647 990865828 /nfs/dbraw/zinc/86/58/28/990865828.db2.gz VDOJGYJLENAMOW-UHFFFAOYSA-N 1 0 349.431 2.847 20 5 EFBDRO C[C@@H]1CC[C@@H](NCc2c(Br)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001576670117 1089387130 /nfs/dbraw/zinc/38/71/30/1089387130.db2.gz CYKNQXDOPWQBIJ-NXEZZACHSA-N 1 0 328.210 2.587 20 5 EFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873191051 1126118794 /nfs/dbraw/zinc/11/87/94/1126118794.db2.gz OVHDKEGDWUUKLU-IBGZPJMESA-N 1 0 344.411 2.995 20 5 EFBDRO CC(C)[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H](C)[NH3+] ZINC001575407577 1088448101 /nfs/dbraw/zinc/44/81/01/1088448101.db2.gz DIDKRVKLNJLMHP-YGRLFVJLSA-N 1 0 331.376 2.543 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001575731006 1088651912 /nfs/dbraw/zinc/65/19/12/1088651912.db2.gz QPQXDLWTPRPHLR-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCc1cscc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576086008 1088919522 /nfs/dbraw/zinc/91/95/22/1088919522.db2.gz OLHDLGOGJHTIMS-AWEZNQCLSA-N 1 0 339.804 2.800 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001576131030 1088950775 /nfs/dbraw/zinc/95/07/75/1088950775.db2.gz VDLMRRSGMIUNMX-DZGCQCFKSA-N 1 0 339.395 2.999 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001576153697 1088961385 /nfs/dbraw/zinc/96/13/85/1088961385.db2.gz YHDFAAKMKJEHDI-NEPJUHHUSA-N 1 0 328.372 2.512 20 5 EFBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576239860 1089036244 /nfs/dbraw/zinc/03/62/44/1089036244.db2.gz SRUNVSZIWUTLHS-SMDDNHRTSA-N 1 0 343.387 2.580 20 5 EFBDRO C[C@]1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC001576330599 1089109496 /nfs/dbraw/zinc/10/94/96/1089109496.db2.gz JSMWYDYPLFDQCC-YJBOKZPZSA-N 1 0 331.416 2.691 20 5 EFBDRO C[C@@]1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC001576330597 1089109726 /nfs/dbraw/zinc/10/97/26/1089109726.db2.gz JSMWYDYPLFDQCC-MAUKXSAKSA-N 1 0 331.416 2.691 20 5 EFBDRO CC1(C)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]2CCC[NH2+][C@H]21 ZINC001576382708 1089166779 /nfs/dbraw/zinc/16/67/79/1089166779.db2.gz CMYYSVQUEIAKHS-IUIKQTSFSA-N 1 0 342.399 2.583 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576479560 1089285745 /nfs/dbraw/zinc/28/57/45/1089285745.db2.gz FBWHSMLISWVSLF-GFCCVEGCSA-N 1 0 345.321 2.732 20 5 EFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001576531558 1089315591 /nfs/dbraw/zinc/31/55/91/1089315591.db2.gz UGPHCWNXUZDDOA-PBHICJAKSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC001576698689 1089400763 /nfs/dbraw/zinc/40/07/63/1089400763.db2.gz PBYIZIMDNSUDCB-BXUZGUMPSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC001576699525 1089402854 /nfs/dbraw/zinc/40/28/54/1089402854.db2.gz YFPVSOUKJYJNDS-BXUZGUMPSA-N 1 0 341.358 2.663 20 5 EFBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]1C ZINC001576881462 1089504419 /nfs/dbraw/zinc/50/44/19/1089504419.db2.gz VKSUQHOVKRBGAT-CIUDSAMLSA-N 1 0 329.759 2.598 20 5 EFBDRO C[C@@H]1[NH2+]C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC001576883061 1089506326 /nfs/dbraw/zinc/50/63/26/1089506326.db2.gz SNSSNNBSJPQILS-DCAQKATOSA-N 1 0 342.237 2.928 20 5 EFBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001576886112 1089507743 /nfs/dbraw/zinc/50/77/43/1089507743.db2.gz NTOPRHFVHAIXGL-AXTRIDKLSA-N 1 0 332.278 2.739 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001577096167 1089650447 /nfs/dbraw/zinc/65/04/47/1089650447.db2.gz HHSZFCVRQJSYTI-NVXWUHKLSA-N 1 0 345.443 2.954 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001577096597 1089652318 /nfs/dbraw/zinc/65/23/18/1089652318.db2.gz RZBVYFRXSVZACR-DJIMGWMZSA-N 1 0 331.416 2.516 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001577106980 1089662259 /nfs/dbraw/zinc/66/22/59/1089662259.db2.gz GNMYELIAIDKOMS-UHFFFAOYSA-N 1 0 325.384 2.645 20 5 EFBDRO CCC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC001577227771 1089760544 /nfs/dbraw/zinc/76/05/44/1089760544.db2.gz JVHWRMWUGDOZBK-UHFFFAOYSA-N 1 0 325.796 2.900 20 5 EFBDRO CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]([NH3+])CC ZINC001577447245 1089974018 /nfs/dbraw/zinc/97/40/18/1089974018.db2.gz FJNMYFODCDRQGS-CQSZACIVSA-N 1 0 346.435 2.827 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577596998 1090072353 /nfs/dbraw/zinc/07/23/53/1090072353.db2.gz ORZHGKXYLGAAPR-NWDGAFQWSA-N 1 0 337.445 2.967 20 5 EFBDRO CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578224304 1090312779 /nfs/dbraw/zinc/31/27/79/1090312779.db2.gz RBODPKKAUSTUQU-LXZKKBNFSA-N 1 0 332.404 2.569 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001578275267 1090327684 /nfs/dbraw/zinc/32/76/84/1090327684.db2.gz GDMYXJBCKNLUDN-INIZCTEOSA-N 1 0 343.383 2.596 20 5 EFBDRO CN(C)c1cc(F)c(C(=O)Nc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC001578423256 1090368298 /nfs/dbraw/zinc/36/82/98/1090368298.db2.gz SJAPKUQIJAIEMC-UHFFFAOYSA-N 1 0 332.335 2.511 20 5 EFBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001578457478 1090376460 /nfs/dbraw/zinc/37/64/60/1090376460.db2.gz APQKNLKRWUIWKE-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO COc1cc(CN2C[C@H](C[NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC001579150989 1090527754 /nfs/dbraw/zinc/52/77/54/1090527754.db2.gz ZXYZCKFNEYOIKE-LBPRGKRZSA-N 1 0 345.374 2.880 20 5 EFBDRO COc1cc(CNC[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579152794 1090528702 /nfs/dbraw/zinc/52/87/02/1090528702.db2.gz IBYZQZOXZGKHDJ-CYBMUJFWSA-N 1 0 345.399 2.619 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579229280 1090552592 /nfs/dbraw/zinc/55/25/92/1090552592.db2.gz SUSXTTBBKSSOAI-KCPJHIHWSA-N 1 0 348.403 2.502 20 5 EFBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC001579306733 1090587706 /nfs/dbraw/zinc/58/77/06/1090587706.db2.gz AFODAMPXGZWZPB-INIZCTEOSA-N 1 0 331.347 2.893 20 5 EFBDRO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001579406824 1090606063 /nfs/dbraw/zinc/60/60/63/1090606063.db2.gz UIIMXTVGSDBAKM-ABAIWWIYSA-N 1 0 331.347 2.654 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001579453462 1090615917 /nfs/dbraw/zinc/61/59/17/1090615917.db2.gz FLYKXTKOQOGXSO-NXEZZACHSA-N 1 0 345.321 2.589 20 5 EFBDRO C[C@H](NC(=O)N1CCCC[C@]12CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001579480914 1090619965 /nfs/dbraw/zinc/61/99/65/1090619965.db2.gz BSIKWFGSKPOEOA-KBXCAEBGSA-N 1 0 346.431 2.974 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC001579480106 1090620064 /nfs/dbraw/zinc/62/00/64/1090620064.db2.gz BXBLIFIFEYYUHL-GZIXRCOHSA-N 1 0 331.416 2.940 20 5 EFBDRO C[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001579485578 1090620976 /nfs/dbraw/zinc/62/09/76/1090620976.db2.gz YJPIGYJQHQEGFD-LBPRGKRZSA-N 1 0 344.371 2.815 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001579556372 1090633253 /nfs/dbraw/zinc/63/32/53/1090633253.db2.gz HDLYBVVQDIWDES-HNNXBMFYSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001579604845 1090641306 /nfs/dbraw/zinc/64/13/06/1090641306.db2.gz ADWFTICJIHLPPI-ZJUUUORDSA-N 1 0 326.784 2.758 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC001579605713 1090641967 /nfs/dbraw/zinc/64/19/67/1090641967.db2.gz XJHHIXJCFDEZRV-UHFFFAOYSA-N 1 0 326.784 2.820 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CC[NH3+])cc1Cl ZINC001579642421 1090648951 /nfs/dbraw/zinc/64/89/51/1090648951.db2.gz FBYXZDCYHJDMJV-NSHDSACASA-N 1 0 325.796 2.900 20 5 EFBDRO Cc1cc(OC[C@H]2C[C@]3(CC[NH2+]C3)CO2)c(Cl)cc1[N+](=O)[O-] ZINC001579639289 1090649112 /nfs/dbraw/zinc/64/91/12/1090649112.db2.gz CEHJDRZJSRJFIN-ABAIWWIYSA-N 1 0 326.780 2.704 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC001579642553 1090649565 /nfs/dbraw/zinc/64/95/65/1090649565.db2.gz KWIAZRKPWJUIED-UHFFFAOYSA-N 1 0 328.372 2.992 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCC([NH3+])CC2)cc1Cl ZINC001579642791 1090649763 /nfs/dbraw/zinc/64/97/63/1090649763.db2.gz WECSJAAITRUYFG-UHFFFAOYSA-N 1 0 325.796 2.899 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001579642845 1090649826 /nfs/dbraw/zinc/64/98/26/1090649826.db2.gz YSHXJBVCTFPMEC-MRXNPFEDSA-N 1 0 337.807 2.772 20 5 EFBDRO [NH3+]CCN(CCc1ccccc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001580309963 1090857816 /nfs/dbraw/zinc/85/78/16/1090857816.db2.gz UMNHDTFIWHSTIW-FLIBITNWSA-N 1 0 339.395 2.638 20 5 EFBDRO [NH3+]CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001580313655 1090860431 /nfs/dbraw/zinc/86/04/31/1090860431.db2.gz KVXKFXJPHBMCEZ-UHFFFAOYSA-N 1 0 335.747 2.838 20 5 EFBDRO [NH3+][C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001580395547 1090888570 /nfs/dbraw/zinc/88/85/70/1090888570.db2.gz VJAHULDFZIWKCI-HTQZYQBOSA-N 1 0 343.227 2.939 20 5 EFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580481245 1090914489 /nfs/dbraw/zinc/91/44/89/1090914489.db2.gz IEJCLQBKZXYPBK-YUELXQCFSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580482116 1090914734 /nfs/dbraw/zinc/91/47/34/1090914734.db2.gz WUCOOZDHICZVJR-RCBQFDQVSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001580522132 1090931190 /nfs/dbraw/zinc/93/11/90/1090931190.db2.gz DJLUSUDWFIYLDL-VIFPVBQESA-N 1 0 349.334 2.647 20 5 EFBDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001580523020 1090931465 /nfs/dbraw/zinc/93/14/65/1090931465.db2.gz OLYWWIXPRMWFKD-CQSZACIVSA-N 1 0 341.342 2.858 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001580770318 1091004261 /nfs/dbraw/zinc/00/42/61/1091004261.db2.gz QSUNTSMNYPHVJV-UHFFFAOYSA-N 1 0 347.321 2.971 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN(Cc1nc2c(s1)C[NH2+]CC2)C1CC1 ZINC001580875357 1091031368 /nfs/dbraw/zinc/03/13/68/1091031368.db2.gz JFRBZPJBWNOUKZ-UHFFFAOYSA-N 1 0 344.440 2.862 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC001581200437 1091091365 /nfs/dbraw/zinc/09/13/65/1091091365.db2.gz MRELBEKWKVNSFH-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO CC[NH+](CC)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104395998 1092394339 /nfs/dbraw/zinc/39/43/39/1092394339.db2.gz MPIAKMKVKBFWMV-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO Cc1cc(NC2(CNC(=O)CC[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001104425277 1093013263 /nfs/dbraw/zinc/01/32/63/1093013263.db2.gz YCQSMVZWWPIESU-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC001589869947 1093160062 /nfs/dbraw/zinc/16/00/62/1093160062.db2.gz CMDHBPLIMQUYBX-JTQLQIEISA-N 1 0 344.400 2.730 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1cc(-c2nn[nH]n2)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC001589974046 1093205076 /nfs/dbraw/zinc/20/50/76/1093205076.db2.gz OIGIIRZKURKBFH-QWRGUYRKSA-N 1 0 339.359 2.582 20 5 EFBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001590045926 1093238965 /nfs/dbraw/zinc/23/89/65/1093238965.db2.gz FWLKNECSMDIJAH-GFCCVEGCSA-N 1 0 338.371 2.968 20 5 EFBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245593 1093334452 /nfs/dbraw/zinc/33/44/52/1093334452.db2.gz XQPGRAFFGGDGAB-RYUDHWBXSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245594 1093334899 /nfs/dbraw/zinc/33/48/99/1093334899.db2.gz XQPGRAFFGGDGAB-VXGBXAGGSA-N 1 0 330.392 2.785 20 5 EFBDRO CCC[C@H]1CCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590569037 1093493476 /nfs/dbraw/zinc/49/34/76/1093493476.db2.gz JNPHDSVFGUFDTB-LBPRGKRZSA-N 1 0 330.392 2.930 20 5 EFBDRO CCCC1CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590573009 1093496353 /nfs/dbraw/zinc/49/63/53/1093496353.db2.gz WSVUGONLTGTZQS-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC001593481746 1094325368 /nfs/dbraw/zinc/32/53/68/1094325368.db2.gz JYUIOKCNTIYVTD-CQSZACIVSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(F)cc1Br ZINC001218445042 1094785576 /nfs/dbraw/zinc/78/55/76/1094785576.db2.gz SXOOKHHXQTXFAA-AKGNYGMASA-N 1 0 331.141 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1Br ZINC001217971418 1095171247 /nfs/dbraw/zinc/17/12/47/1095171247.db2.gz HWHIOPIXVGYCJR-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1nc(O[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001217990163 1095305666 /nfs/dbraw/zinc/30/56/66/1095305666.db2.gz HWGUSXWITNCWHH-UFBFGSQYSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218319451 1096117173 /nfs/dbraw/zinc/11/71/73/1096117173.db2.gz UHXZFFQGNTZNOJ-HQJQHLMTSA-N 1 0 337.120 2.575 20 5 EFBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603243767 1096482690 /nfs/dbraw/zinc/48/26/90/1096482690.db2.gz HPWBLKGGRACGNZ-CQSZACIVSA-N 1 0 330.392 2.785 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+](C)C ZINC001604023464 1096702907 /nfs/dbraw/zinc/70/29/07/1096702907.db2.gz RFRVTCQWNSECKK-HNNXBMFYSA-N 1 0 347.423 2.553 20 5 EFBDRO Cc1ccc(CN(C)Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC001605846590 1097249320 /nfs/dbraw/zinc/24/93/20/1097249320.db2.gz MQRXSBMAXZKTKS-UHFFFAOYSA-N 1 0 344.400 2.777 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001605856395 1097254851 /nfs/dbraw/zinc/25/48/51/1097254851.db2.gz MELCDYZGEYSMCN-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001607076849 1097504928 /nfs/dbraw/zinc/50/49/28/1097504928.db2.gz CHMJNCGVOVXBNR-FZMZJTMJSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC001607084477 1097509786 /nfs/dbraw/zinc/50/97/86/1097509786.db2.gz IIFAUTSZUAIPNS-MRXNPFEDSA-N 1 0 336.355 2.552 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC12CCC2 ZINC001609167781 1098181380 /nfs/dbraw/zinc/18/13/80/1098181380.db2.gz AVONRLVIXCZSFK-LBPRGKRZSA-N 1 0 342.403 2.787 20 5 EFBDRO C[N@@H+]1CCC2(CN(C(=O)c3cc4cccnc4c4ncccc34)C2)C1 ZINC001269514607 1098202501 /nfs/dbraw/zinc/20/25/01/1098202501.db2.gz RGCOFBJZFFIBPU-UHFFFAOYSA-N 1 0 332.407 2.561 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cccnc4c4ncccc34)[C@@H]2C1 ZINC001269514195 1098202519 /nfs/dbraw/zinc/20/25/19/1098202519.db2.gz GFXXMLZYWUABCV-WMLDXEAASA-N 1 0 332.407 2.559 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001609413428 1098300014 /nfs/dbraw/zinc/30/00/14/1098300014.db2.gz XXVIZUVRPWANON-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC001609602641 1098396195 /nfs/dbraw/zinc/39/61/95/1098396195.db2.gz AVHJEILOWTWAPB-HNNXBMFYSA-N 1 0 342.403 2.930 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001225745998 1098471415 /nfs/dbraw/zinc/47/14/15/1098471415.db2.gz CPVMSNKJNUDJFS-SNVBAGLBSA-N 1 0 330.182 2.615 20 5 EFBDRO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001167754071 1098825890 /nfs/dbraw/zinc/82/58/90/1098825890.db2.gz URXKSJWHZYKZFI-AWEZNQCLSA-N 1 0 349.431 2.987 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC001270370151 1099019315 /nfs/dbraw/zinc/01/93/15/1099019315.db2.gz WXKUFYRODFANRD-WMLDXEAASA-N 1 0 348.402 2.722 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000749637898 1099151847 /nfs/dbraw/zinc/15/18/47/1099151847.db2.gz FIWGGSARGOQPGH-GJZGRUSLSA-N 1 0 335.429 2.582 20 5 EFBDRO [NH3+]CCc1cn(-c2c(Cl)nccc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167982561 1099413015 /nfs/dbraw/zinc/41/30/15/1099413015.db2.gz GJKQJCZUWTUJJW-UHFFFAOYSA-N 1 0 332.747 2.794 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000843761654 1099425891 /nfs/dbraw/zinc/42/58/91/1099425891.db2.gz PEXDIVWUBXXFHF-UHFFFAOYSA-N 1 0 337.395 2.987 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000843773503 1099841635 /nfs/dbraw/zinc/84/16/35/1099841635.db2.gz CGSXZRSMPCQUDS-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000843776362 1100175934 /nfs/dbraw/zinc/17/59/34/1100175934.db2.gz MGTDETJMCUUYAA-LBPRGKRZSA-N 1 0 337.395 2.893 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000729530138 1100290313 /nfs/dbraw/zinc/29/03/13/1100290313.db2.gz YTYTYTCWKYDNCA-CQSZACIVSA-N 1 0 348.447 2.870 20 5 EFBDRO O=[N+]([O-])c1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c(F)c1 ZINC001167087136 1101548532 /nfs/dbraw/zinc/54/85/32/1101548532.db2.gz KJIXMWYUUSHOFH-UHFFFAOYSA-N 1 0 330.294 2.858 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c1C ZINC001167098574 1101649698 /nfs/dbraw/zinc/64/96/98/1101649698.db2.gz BAFDUIMLITVELD-UHFFFAOYSA-N 1 0 330.175 2.819 20 5 EFBDRO C[NH2+]Cc1cn(-c2cc(OC)c([N+](=O)[O-])cn2)c2ccc(C)cc12 ZINC001167124594 1101809264 /nfs/dbraw/zinc/80/92/64/1101809264.db2.gz XTCFTZFRTLKVIV-UHFFFAOYSA-N 1 0 326.356 2.970 20 5 EFBDRO Cc1nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001167160232 1101963232 /nfs/dbraw/zinc/96/32/32/1101963232.db2.gz VIMBCRCSPJRTBT-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC001167274896 1102224900 /nfs/dbraw/zinc/22/49/00/1102224900.db2.gz VSDNKNJZAJEEAA-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(C)C ZINC000840882061 1102265796 /nfs/dbraw/zinc/26/57/96/1102265796.db2.gz LTBDRYQTGHKLPN-ZWKOTPCHSA-N 1 0 335.448 2.949 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001167289692 1102307110 /nfs/dbraw/zinc/30/71/10/1102307110.db2.gz QKRQXKOCGOYDJY-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO [NH3+]Cc1cnc2c(ccn2-c2nccc(Br)c2[N+](=O)[O-])c1 ZINC001167314553 1102535289 /nfs/dbraw/zinc/53/52/89/1102535289.db2.gz WOWLSMNTUQJRFO-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001167365894 1102880738 /nfs/dbraw/zinc/88/07/38/1102880738.db2.gz MDRURGPLHKUSRF-UHFFFAOYSA-N 1 0 336.417 2.511 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC001168386204 1104169507 /nfs/dbraw/zinc/16/95/07/1104169507.db2.gz UXSLQFNDIDVDHG-UHFFFAOYSA-N 1 0 339.442 2.936 20 5 EFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000906632542 1104411989 /nfs/dbraw/zinc/41/19/89/1104411989.db2.gz AGDFJQUNRSSUNR-ULQDDVLXSA-N 1 0 337.379 2.615 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000897684003 1106047321 /nfs/dbraw/zinc/04/73/21/1106047321.db2.gz JBYUWTXQPPRQOW-MEDUHNTESA-N 1 0 332.356 2.676 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000897684001 1106047887 /nfs/dbraw/zinc/04/78/87/1106047887.db2.gz JBYUWTXQPPRQOW-BZNIZROVSA-N 1 0 332.356 2.676 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000897969633 1106155021 /nfs/dbraw/zinc/15/50/21/1106155021.db2.gz LVKZRCGJIMXKOD-KGLIPLIRSA-N 1 0 342.399 2.928 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000897966968 1106170813 /nfs/dbraw/zinc/17/08/13/1106170813.db2.gz IINXOWIJWMGVNX-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([NH2+]C4CCC4)CC3)nc2c1 ZINC000897982513 1106184759 /nfs/dbraw/zinc/18/47/59/1106184759.db2.gz MHBSZHHFLHTIMD-UHFFFAOYSA-N 1 0 330.388 2.843 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000843791890 1106211074 /nfs/dbraw/zinc/21/10/74/1106211074.db2.gz PLOUXYKREXATOW-ZDUSSCGKSA-N 1 0 335.379 2.743 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000898321303 1106307955 /nfs/dbraw/zinc/30/79/55/1106307955.db2.gz QDCXWZQWOGSCGF-HNNXBMFYSA-N 1 0 329.356 2.945 20 5 EFBDRO O=C(C1CCCC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989849544 1106712786 /nfs/dbraw/zinc/71/27/86/1106712786.db2.gz XIKDLNVLOOCJCN-UHFFFAOYSA-N 1 0 337.445 2.927 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000128863077 1107230599 /nfs/dbraw/zinc/23/05/99/1107230599.db2.gz DNSPOBQOJZKQAA-UHFFFAOYSA-N 1 0 341.408 2.890 20 5 EFBDRO O=C(CCC1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990357356 1107658293 /nfs/dbraw/zinc/65/82/93/1107658293.db2.gz PYDSGMIIEGYOQG-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(C1CC=CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990503709 1108131024 /nfs/dbraw/zinc/13/10/24/1108131024.db2.gz HSQATOWQSTYAIX-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO CC(C)N1CCC[C@@H]1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000923888413 1108215770 /nfs/dbraw/zinc/21/57/70/1108215770.db2.gz LZAUYWZSQCQWLA-CQSZACIVSA-N 1 0 328.315 2.789 20 5 EFBDRO O=C(CC1CCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990612409 1108383867 /nfs/dbraw/zinc/38/38/67/1108383867.db2.gz SWBSPDWYYYGVPK-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167054470 1108760298 /nfs/dbraw/zinc/76/02/98/1108760298.db2.gz FDHMINUIROJSNM-QMMMGPOBSA-N 1 0 342.186 2.949 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CCOC1 ZINC000927085826 1108832828 /nfs/dbraw/zinc/83/28/28/1108832828.db2.gz SZRRISSZFWDCRJ-ZIAGYGMSSA-N 1 0 340.445 2.861 20 5 EFBDRO COc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000899324838 1109283382 /nfs/dbraw/zinc/28/33/82/1109283382.db2.gz QOWJJZCRVKRUKQ-CQSZACIVSA-N 1 0 330.384 2.689 20 5 EFBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000899872246 1109533126 /nfs/dbraw/zinc/53/31/26/1109533126.db2.gz YARLHCLAFVAERA-MRXNPFEDSA-N 1 0 331.441 2.714 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906815 1109546356 /nfs/dbraw/zinc/54/63/56/1109546356.db2.gz PNENHWCWLMOWAU-JTQLQIEISA-N 1 0 336.310 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000899910584 1109547762 /nfs/dbraw/zinc/54/77/62/1109547762.db2.gz IUGPHCINVIKIJH-UHFFFAOYSA-N 1 0 347.415 2.733 20 5 EFBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159488634 1109665315 /nfs/dbraw/zinc/66/53/15/1109665315.db2.gz BZCZDYJDXYVTPR-LLVKDONJSA-N 1 0 328.210 2.541 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000153175709 1111159840 /nfs/dbraw/zinc/15/98/40/1111159840.db2.gz JTCYNIVFHRZAFH-ZDUSSCGKSA-N 1 0 337.395 2.750 20 5 EFBDRO Cc1nn(CN2CCC[N@H+](Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000073136324 1120697959 /nfs/dbraw/zinc/69/79/59/1120697959.db2.gz NJGMUJDWBNDXHH-UHFFFAOYSA-N 1 0 343.431 2.574 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000056168235 214363400 /nfs/dbraw/zinc/36/34/00/214363400.db2.gz VFPVTKRHVPZPPK-JSGCOSHPSA-N 1 0 329.356 2.753 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000174149587 231133175 /nfs/dbraw/zinc/13/31/75/231133175.db2.gz VEVJFDITGJVZDK-KBPBESRZSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000056197392 214365083 /nfs/dbraw/zinc/36/50/83/214365083.db2.gz GASUEFNHTHIWNY-ZIAGYGMSSA-N 1 0 327.384 2.950 20 5 EFBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000187553634 529424067 /nfs/dbraw/zinc/42/40/67/529424067.db2.gz GJMRTDCGBWEKGG-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174451515 231211971 /nfs/dbraw/zinc/21/19/71/231211971.db2.gz WHEKZHBEUXXJLJ-GFCCVEGCSA-N 1 0 336.779 2.726 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174537047 231235195 /nfs/dbraw/zinc/23/51/95/231235195.db2.gz SYVJCIPGAVHOCF-ZDUSSCGKSA-N 1 0 335.379 2.682 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1nccs1 ZINC000175089092 231382394 /nfs/dbraw/zinc/38/23/94/231382394.db2.gz ZSUYQNFSASAQPD-UHFFFAOYSA-N 1 0 334.401 2.820 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181560515 529587844 /nfs/dbraw/zinc/58/78/44/529587844.db2.gz LXHVMYDGNRFVOL-SFHVURJKSA-N 1 0 341.411 2.994 20 5 EFBDRO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000186854965 529596632 /nfs/dbraw/zinc/59/66/32/529596632.db2.gz VVECQFDKGLIYPM-HNNXBMFYSA-N 1 0 328.434 2.850 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175905808 231533652 /nfs/dbraw/zinc/53/36/52/231533652.db2.gz MLNJVDCKQOEYDJ-HIFRSBDPSA-N 1 0 348.447 2.995 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000098055685 219075235 /nfs/dbraw/zinc/07/52/35/219075235.db2.gz UFZYOOPNNCFIKD-XZVRFQMRSA-N 1 0 329.400 2.695 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177449087 282259991 /nfs/dbraw/zinc/25/99/91/282259991.db2.gz ZOBNJBRHMPERLC-RYUDHWBXSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000362676545 282260078 /nfs/dbraw/zinc/26/00/78/282260078.db2.gz VAHSGNKCZWRHPX-MNOVXSKESA-N 1 0 329.198 2.647 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000125993443 222637619 /nfs/dbraw/zinc/63/76/19/222637619.db2.gz OJLOAAJDLJOJKH-MRXNPFEDSA-N 1 0 348.447 2.511 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131833503 529852174 /nfs/dbraw/zinc/85/21/74/529852174.db2.gz QWRXZEJSZBEZRD-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000186745270 529902302 /nfs/dbraw/zinc/90/23/02/529902302.db2.gz NELDNGJZJFEJFA-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178410650 529926390 /nfs/dbraw/zinc/92/63/90/529926390.db2.gz LAEDZHVEYUROLA-XMMPIXPASA-N 1 0 348.424 2.843 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177549781 231925276 /nfs/dbraw/zinc/92/52/76/231925276.db2.gz TWZOIIVIOGHUGU-NEPJUHHUSA-N 1 0 325.796 2.851 20 5 EFBDRO CN1C(=O)CCc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000187206560 530043334 /nfs/dbraw/zinc/04/33/34/530043334.db2.gz USNQEDWOYKSBCK-UHFFFAOYSA-N 1 0 339.395 2.836 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1Cl ZINC000178012777 232059120 /nfs/dbraw/zinc/05/91/20/232059120.db2.gz FIHWQALCJWSGRG-GFCCVEGCSA-N 1 0 326.780 2.833 20 5 EFBDRO Cc1cc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000178000463 232054242 /nfs/dbraw/zinc/05/42/42/232054242.db2.gz TWYXZTFWFCTWLP-UHFFFAOYSA-N 1 0 344.371 2.884 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178626874 232316851 /nfs/dbraw/zinc/31/68/51/232316851.db2.gz IFPXBWPUJONTSD-PBHICJAKSA-N 1 0 333.432 2.910 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066813004 215080207 /nfs/dbraw/zinc/08/02/07/215080207.db2.gz GYBSWCFSNYLWLO-UHFFFAOYSA-N 1 0 343.431 2.677 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000153316970 293370767 /nfs/dbraw/zinc/37/07/67/293370767.db2.gz YSTRSGCUTDZMKQ-GOSISDBHSA-N 1 0 342.395 2.999 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000043126986 213563192 /nfs/dbraw/zinc/56/31/92/213563192.db2.gz WCOBEGJLRUTMIG-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000103452786 219301109 /nfs/dbraw/zinc/30/11/09/219301109.db2.gz ZEHDDVCELHFVBY-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO CC[N@H+](CCC(=O)OC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104680021 219403046 /nfs/dbraw/zinc/40/30/46/219403046.db2.gz CZGXPAKRKSXVKY-UHFFFAOYSA-N 1 0 347.371 2.677 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933759 234034279 /nfs/dbraw/zinc/03/42/79/234034279.db2.gz CLISDRKYUYRPFM-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521351 234216036 /nfs/dbraw/zinc/21/60/36/234216036.db2.gz UILDXMDFVUQVGV-GOEBONIOSA-N 1 0 345.443 2.907 20 5 EFBDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000181811712 234333055 /nfs/dbraw/zinc/33/30/55/234333055.db2.gz VQLBIRXSSSFWEW-LBPRGKRZSA-N 1 0 332.360 2.879 20 5 EFBDRO CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236834665 535238925 /nfs/dbraw/zinc/23/89/25/535238925.db2.gz MYIFIEQUSNTUPO-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353754315 146552998 /nfs/dbraw/zinc/55/29/98/146552998.db2.gz ARESFWGNBRJNDW-ZDUSSCGKSA-N 1 0 334.372 2.593 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]2(CO)CCOC2)s1 ZINC000184182783 235325665 /nfs/dbraw/zinc/32/56/65/235325665.db2.gz FRBKCTRCBOWJAL-INIZCTEOSA-N 1 0 334.397 2.564 20 5 EFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353773899 146557223 /nfs/dbraw/zinc/55/72/23/146557223.db2.gz GGIVYEBFNYWADR-KGLIPLIRSA-N 1 0 336.388 2.815 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000187017972 236095785 /nfs/dbraw/zinc/09/57/85/236095785.db2.gz ZNKZZGWRDKOWFE-UHFFFAOYSA-N 1 0 339.823 2.733 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000188962297 236711546 /nfs/dbraw/zinc/71/15/46/236711546.db2.gz JVQGIEPQLUMRKU-KBPBESRZSA-N 1 0 335.404 2.514 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257661 223036932 /nfs/dbraw/zinc/03/69/32/223036932.db2.gz ZQTGPBWGHOGLPA-BBRMVZONSA-N 1 0 340.445 2.879 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(N2CCCC2)c1 ZINC000181856063 299301891 /nfs/dbraw/zinc/30/18/91/299301891.db2.gz DRPWQJAQYDQMRQ-AWEZNQCLSA-N 1 0 329.404 2.742 20 5 EFBDRO C[C@H]1CCCN(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000129997812 223111313 /nfs/dbraw/zinc/11/13/13/223111313.db2.gz ZHMZSGYWMQGUPO-AWEZNQCLSA-N 1 0 331.416 2.818 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000130263477 223137932 /nfs/dbraw/zinc/13/79/32/223137932.db2.gz SQDNTQITYPMPEH-UONOGXRCSA-N 1 0 334.420 2.557 20 5 EFBDRO C[C@H](C[S@@](C)=O)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000130917876 223188059 /nfs/dbraw/zinc/18/80/59/223188059.db2.gz GDEWYABNVLIBJN-HOGDKLEQSA-N 1 0 349.250 2.556 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131224610 223214373 /nfs/dbraw/zinc/21/43/73/223214373.db2.gz PAFWHSRRJDGPSR-MNOVXSKESA-N 1 0 326.194 2.688 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072835808 216313802 /nfs/dbraw/zinc/31/38/02/216313802.db2.gz METJBPMHMGMLMK-HNNXBMFYSA-N 1 0 345.403 2.561 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072858747 216317896 /nfs/dbraw/zinc/31/78/96/216317896.db2.gz UFOQQZYEQWCRBJ-LSDHHAIUSA-N 1 0 348.447 2.504 20 5 EFBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072976085 216333568 /nfs/dbraw/zinc/33/35/68/216333568.db2.gz HENYGPRYXGBPHI-UONOGXRCSA-N 1 0 335.404 2.670 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976089 216334819 /nfs/dbraw/zinc/33/48/19/216334819.db2.gz NQSQXSTZJQSTDF-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000191369979 239072236 /nfs/dbraw/zinc/07/22/36/239072236.db2.gz FFJRCNVQFJXMOV-CYBMUJFWSA-N 1 0 341.367 2.950 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175959264 239294417 /nfs/dbraw/zinc/29/44/17/239294417.db2.gz SFDQXDMQRBKILK-SFHVURJKSA-N 1 0 344.415 2.515 20 5 EFBDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177574007 239384239 /nfs/dbraw/zinc/38/42/39/239384239.db2.gz RJZMERXJQNDNDF-GASCZTMLSA-N 1 0 329.400 2.606 20 5 EFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193197572 240090812 /nfs/dbraw/zinc/09/08/12/240090812.db2.gz PTSSXNLNBPGJDQ-ZDUSSCGKSA-N 1 0 343.383 2.684 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000132615935 223347518 /nfs/dbraw/zinc/34/75/18/223347518.db2.gz BMZPPMVCHGFSBM-GFCCVEGCSA-N 1 0 345.321 2.780 20 5 EFBDRO COc1cccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000194379448 240153139 /nfs/dbraw/zinc/15/31/39/240153139.db2.gz ODMZZUDGRIGGTK-CQSZACIVSA-N 1 0 337.420 2.700 20 5 EFBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193784320 240308152 /nfs/dbraw/zinc/30/81/52/240308152.db2.gz FGKNEUOTLYKSBT-UHFFFAOYSA-N 1 0 336.392 2.809 20 5 EFBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000193679779 240263378 /nfs/dbraw/zinc/26/33/78/240263378.db2.gz BMXOWXKZCGHBOI-BDJLRTHQSA-N 1 0 345.424 2.938 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193986950 240390475 /nfs/dbraw/zinc/39/04/75/240390475.db2.gz OEWGQINSIOQSJS-HNNXBMFYSA-N 1 0 348.403 2.953 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194003974 240396363 /nfs/dbraw/zinc/39/63/63/240396363.db2.gz CMYZNBXNOJHWNM-CQSZACIVSA-N 1 0 336.392 2.809 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000194007733 240397411 /nfs/dbraw/zinc/39/74/11/240397411.db2.gz XELUEMOAYNPROQ-CQSZACIVSA-N 1 0 348.403 2.811 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363752174 299367437 /nfs/dbraw/zinc/36/74/37/299367437.db2.gz QYUOEVQUAOKHGC-QGTPRVQTSA-N 1 0 333.432 2.889 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237837622 283964582 /nfs/dbraw/zinc/96/45/82/283964582.db2.gz HNXFCVBLPDJGBY-SNVBAGLBSA-N 1 0 345.321 2.733 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133029040 223382868 /nfs/dbraw/zinc/38/28/68/223382868.db2.gz NWCYMEWKRYLGSM-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO CC1(CNc2c(Br)cncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000233031788 242275780 /nfs/dbraw/zinc/27/57/80/242275780.db2.gz YMSZTPBUGZZURS-UHFFFAOYSA-N 1 0 329.198 2.554 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236810541 242366307 /nfs/dbraw/zinc/36/63/07/242366307.db2.gz XPRMUHWZTQLUDP-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236642736 242304279 /nfs/dbraw/zinc/30/42/79/242304279.db2.gz LRDKDMGRELNDFO-NEPJUHHUSA-N 1 0 325.434 2.565 20 5 EFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236698477 242325708 /nfs/dbraw/zinc/32/57/08/242325708.db2.gz AJCSHSOKUNRYAM-BLLLJJGKSA-N 1 0 339.461 2.955 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236827700 242372337 /nfs/dbraw/zinc/37/23/37/242372337.db2.gz ZBTKGPRVDLAHKR-ZUZCIYMTSA-N 1 0 343.811 2.505 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000236847383 242380992 /nfs/dbraw/zinc/38/09/92/242380992.db2.gz BPWPCYKOGKRGAK-CYBMUJFWSA-N 1 0 332.404 2.924 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236913153 242407913 /nfs/dbraw/zinc/40/79/13/242407913.db2.gz BZHKYEOHXJWYFM-CMPLNLGQSA-N 1 0 343.811 2.649 20 5 EFBDRO [NH3+]CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237822657 242809467 /nfs/dbraw/zinc/80/94/67/242809467.db2.gz VLHNIIWYYBRQKH-UHFFFAOYSA-N 1 0 346.412 2.529 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000237826094 242811553 /nfs/dbraw/zinc/81/15/53/242811553.db2.gz DXROBXSQOBEEQS-AWEZNQCLSA-N 1 0 328.796 2.924 20 5 EFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000368155679 284019359 /nfs/dbraw/zinc/01/93/59/284019359.db2.gz PRPZLVUNLUEBJU-CQSZACIVSA-N 1 0 331.397 2.681 20 5 EFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000411887311 243015661 /nfs/dbraw/zinc/01/56/61/243015661.db2.gz BXWDGNBYWFZPOI-QAPCUYQASA-N 1 0 328.368 2.876 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1 ZINC000411868029 243007224 /nfs/dbraw/zinc/00/72/24/243007224.db2.gz KKNVKLHGKLNJAU-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000411936500 243035029 /nfs/dbraw/zinc/03/50/29/243035029.db2.gz CHUXLYDCVGGLFB-APPDUMDISA-N 1 0 336.388 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411934058 243035415 /nfs/dbraw/zinc/03/54/15/243035415.db2.gz HCHDPELRGZOEAZ-FUHWJXTLSA-N 1 0 328.368 2.782 20 5 EFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000411945029 243035941 /nfs/dbraw/zinc/03/59/41/243035941.db2.gz KCIZQPVUHXAWEL-SNVBAGLBSA-N 1 0 345.321 2.524 20 5 EFBDRO CC[N@@H+](Cc1occc1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412029635 243080426 /nfs/dbraw/zinc/08/04/26/243080426.db2.gz UYLRCKRGXYKCEC-CQSZACIVSA-N 1 0 334.372 2.758 20 5 EFBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245820713 243159004 /nfs/dbraw/zinc/15/90/04/243159004.db2.gz VXKZQWKGLYKZDO-SUMWQHHRSA-N 1 0 346.383 2.733 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289120 243247663 /nfs/dbraw/zinc/24/76/63/243247663.db2.gz HAYVIPHLNQMRSN-ZWKOTPCHSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412313233 243262487 /nfs/dbraw/zinc/26/24/87/243262487.db2.gz QHNNVWHBQCEKIK-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246360094 243236313 /nfs/dbraw/zinc/23/63/13/243236313.db2.gz PSLYXEPUIJSWMM-UNEWFSDZSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412338072 243275802 /nfs/dbraw/zinc/27/58/02/243275802.db2.gz NJYYZIDBEYGQIE-NKGKWGDASA-N 1 0 343.427 2.784 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246995456 243350976 /nfs/dbraw/zinc/35/09/76/243350976.db2.gz FIILYVCGIYQCQP-WWGRRREGSA-N 1 0 332.404 2.534 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000247452317 243426677 /nfs/dbraw/zinc/42/66/77/243426677.db2.gz QHSAYQKWIHJYNJ-XHDPSFHLSA-N 1 0 339.823 2.589 20 5 EFBDRO COCC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209120 244048662 /nfs/dbraw/zinc/04/86/62/244048662.db2.gz SHYOJRBARZHQKQ-XJKSGUPXSA-N 1 0 332.404 2.680 20 5 EFBDRO CCC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000414343224 244097507 /nfs/dbraw/zinc/09/75/07/244097507.db2.gz NBZKGSHSARJAIN-OAHLLOKOSA-N 1 0 328.434 2.850 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000414279209 244072561 /nfs/dbraw/zinc/07/25/61/244072561.db2.gz YSGUSZAQEREUOO-QIIPPGSGSA-N 1 0 344.415 2.627 20 5 EFBDRO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000414467369 244180699 /nfs/dbraw/zinc/18/06/99/244180699.db2.gz YWMPITOCCQBJCB-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)o1 ZINC000414557379 244233453 /nfs/dbraw/zinc/23/34/53/244233453.db2.gz NNVQSSWVUKFEIH-CJNGLKHVSA-N 1 0 346.383 2.732 20 5 EFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000414656539 244276800 /nfs/dbraw/zinc/27/68/00/244276800.db2.gz NEYYFFPNKMHNOK-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000414657921 244279851 /nfs/dbraw/zinc/27/98/51/244279851.db2.gz KSIRRDFIUFUSAN-JKSUJKDBSA-N 1 0 340.383 2.862 20 5 EFBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414864762 244374341 /nfs/dbraw/zinc/37/43/41/244374341.db2.gz CEZCNVVNZAQOEO-AWEZNQCLSA-N 1 0 331.347 2.978 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000416005943 244479357 /nfs/dbraw/zinc/47/93/57/244479357.db2.gz KMJPFBUUDZAWQQ-JOYOIKCWSA-N 1 0 348.325 2.543 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417125255 245033146 /nfs/dbraw/zinc/03/31/46/245033146.db2.gz BFOKIFOINSJQNV-MGPQQGTHSA-N 1 0 334.420 2.720 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000262564073 245036183 /nfs/dbraw/zinc/03/61/83/245036183.db2.gz BFHSWYJDNIEZLR-AVGNSLFASA-N 1 0 337.445 2.661 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417146622 245041523 /nfs/dbraw/zinc/04/15/23/245041523.db2.gz YNWKOIKLWWSDIR-SUMWQHHRSA-N 1 0 346.431 2.829 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)C1CC1 ZINC000417389997 245077502 /nfs/dbraw/zinc/07/75/02/245077502.db2.gz QETDDBYLSPDFPN-GJZGRUSLSA-N 1 0 339.386 2.845 20 5 EFBDRO CC(C)(NC(=O)NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418316112 245120264 /nfs/dbraw/zinc/12/02/64/245120264.db2.gz LEYPULDRMHOFAU-UHFFFAOYSA-N 1 0 334.420 2.791 20 5 EFBDRO CCn1cncc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417795766 245099657 /nfs/dbraw/zinc/09/96/57/245099657.db2.gz RBONJJHRMCSYTB-UHFFFAOYSA-N 1 0 330.388 2.855 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418373172 245138603 /nfs/dbraw/zinc/13/86/03/245138603.db2.gz ZIYNRYWWFIEYKI-MRXNPFEDSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262792552 245182008 /nfs/dbraw/zinc/18/20/08/245182008.db2.gz DGRJEAWPXCSDKA-JQWIXIFHSA-N 1 0 346.412 2.589 20 5 EFBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000262745161 245156879 /nfs/dbraw/zinc/15/68/79/245156879.db2.gz FSOYJVUJEVOTDG-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418434768 245157396 /nfs/dbraw/zinc/15/73/96/245157396.db2.gz FPGAIFUXGXJVSW-CVEARBPZSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370662500 299418161 /nfs/dbraw/zinc/41/81/61/299418161.db2.gz MARMEPGAGOHMHR-JCGIZDLHSA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418676078 245240523 /nfs/dbraw/zinc/24/05/23/245240523.db2.gz RTXGMPOMDGYGNK-ZDUSSCGKSA-N 1 0 334.420 2.786 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000418643726 245223806 /nfs/dbraw/zinc/22/38/06/245223806.db2.gz PKJPSSOJEPHDRD-OAHLLOKOSA-N 1 0 348.447 2.907 20 5 EFBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419296577 245370668 /nfs/dbraw/zinc/37/06/68/245370668.db2.gz SDEQDZYKSSISAM-CYBMUJFWSA-N 1 0 346.431 2.528 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC000419316079 245378546 /nfs/dbraw/zinc/37/85/46/245378546.db2.gz KSFZXZUYVNGIOT-LSDHHAIUSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC1(C)C ZINC000419321165 245378810 /nfs/dbraw/zinc/37/88/10/245378810.db2.gz QXYMHZKYMLXDMJ-CABCVRRESA-N 1 0 331.416 2.898 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC1(C)C ZINC000419321169 245379452 /nfs/dbraw/zinc/37/94/52/245379452.db2.gz QXYMHZKYMLXDMJ-HUUCEWRRSA-N 1 0 331.416 2.898 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC1(C)C ZINC000419324267 245379324 /nfs/dbraw/zinc/37/93/24/245379324.db2.gz VKYFOXIXLNZGSP-QWHCGFSZSA-N 1 0 335.404 2.956 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419379037 245392945 /nfs/dbraw/zinc/39/29/45/245392945.db2.gz WCXDAJURLKVHDO-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419379038 245394183 /nfs/dbraw/zinc/39/41/83/245394183.db2.gz WCXDAJURLKVHDO-RWMBFGLXSA-N 1 0 335.404 2.908 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000049946380 214037349 /nfs/dbraw/zinc/03/73/49/214037349.db2.gz XMWWDOLJMZWSHO-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO C[C@H]1[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000419373412 245395174 /nfs/dbraw/zinc/39/51/74/245395174.db2.gz ODDPDICFLBYHMY-JHJVBQTASA-N 1 0 333.388 2.869 20 5 EFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCCC1 ZINC000110439700 220036660 /nfs/dbraw/zinc/03/66/60/220036660.db2.gz WFERYEFDZJSYBH-UHFFFAOYSA-N 1 0 349.431 2.746 20 5 EFBDRO O=C(c1ccccc1)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420178539 245550669 /nfs/dbraw/zinc/55/06/69/245550669.db2.gz DVYDXTRQPCCBHY-HNNXBMFYSA-N 1 0 325.368 2.990 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000079995933 217270798 /nfs/dbraw/zinc/27/07/98/217270798.db2.gz AAXGYEULUPWOLN-UHFFFAOYSA-N 1 0 348.447 2.665 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111273934 220131819 /nfs/dbraw/zinc/13/18/19/220131819.db2.gz XUDBRRYIZXEWBM-JSGCOSHPSA-N 1 0 335.404 2.731 20 5 EFBDRO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420393373 245664972 /nfs/dbraw/zinc/66/49/72/245664972.db2.gz XRDFVSVRJCNSAJ-GOEBONIOSA-N 1 0 345.374 2.539 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263851541 245765879 /nfs/dbraw/zinc/76/58/79/245765879.db2.gz VKKRWSISEOOTLA-PYUISTEWSA-N 1 0 329.400 2.695 20 5 EFBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081521160 217410310 /nfs/dbraw/zinc/41/03/10/217410310.db2.gz TYCMTABCWFASLL-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421681314 246060663 /nfs/dbraw/zinc/06/06/63/246060663.db2.gz WZGPUCITDJAUGC-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421680541 246060785 /nfs/dbraw/zinc/06/07/85/246060785.db2.gz RWARIPSVCUIUGQ-YQEWQEHLSA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421685045 246062910 /nfs/dbraw/zinc/06/29/10/246062910.db2.gz NELIVVHUHLFMQB-UHFFFAOYSA-N 1 0 339.823 2.780 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000421707989 246072504 /nfs/dbraw/zinc/07/25/04/246072504.db2.gz YUNUBFHKCPLRIS-CYBMUJFWSA-N 1 0 333.413 2.976 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000421760531 246101916 /nfs/dbraw/zinc/10/19/16/246101916.db2.gz GHVFQHOTHZXJKZ-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000264206943 246184052 /nfs/dbraw/zinc/18/40/52/246184052.db2.gz RHAGKUWMUFUQAS-AWEZNQCLSA-N 1 0 343.358 2.822 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000422004598 246212379 /nfs/dbraw/zinc/21/23/79/246212379.db2.gz GTVCFVVOIMUAOU-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1c(CC(=O)NCC[NH2+]C2CCCCCC2)cccc1[N+](=O)[O-] ZINC000422862969 246492411 /nfs/dbraw/zinc/49/24/11/246492411.db2.gz QVZNXJTWLDWHEE-UHFFFAOYSA-N 1 0 333.432 2.874 20 5 EFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000264532340 246603577 /nfs/dbraw/zinc/60/35/77/246603577.db2.gz FUNNWBPGNZZJDZ-GFCCVEGCSA-N 1 0 330.388 2.782 20 5 EFBDRO CSc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424220150 246702008 /nfs/dbraw/zinc/70/20/08/246702008.db2.gz CVSKNFVBZIPCQZ-LBPRGKRZSA-N 1 0 349.456 2.921 20 5 EFBDRO Nc1nc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425276848 247026743 /nfs/dbraw/zinc/02/67/43/247026743.db2.gz DYAJLCRTLREYRI-ZDUSSCGKSA-N 1 0 345.428 2.554 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419745 247077830 /nfs/dbraw/zinc/07/78/30/247077830.db2.gz LKFXXEFYJFWYNN-GHMZBOCLSA-N 1 0 342.237 2.882 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000264959303 247086632 /nfs/dbraw/zinc/08/66/32/247086632.db2.gz NOCYNBAYASHOAO-UHFFFAOYSA-N 1 0 338.795 2.950 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+](C)C ZINC000265044238 247156495 /nfs/dbraw/zinc/15/64/95/247156495.db2.gz AGUDJHYERYVILL-CYBMUJFWSA-N 1 0 332.404 2.782 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264997027 247123165 /nfs/dbraw/zinc/12/31/65/247123165.db2.gz CYDKYLPNYNNHIF-UONOGXRCSA-N 1 0 334.420 2.650 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c[nH]nc43)CC2)n1 ZINC000425967467 247218254 /nfs/dbraw/zinc/21/82/54/247218254.db2.gz NWSFRZULMDOXCD-UHFFFAOYSA-N 1 0 326.360 2.505 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3scnc3C3CC3)CC2)n1 ZINC000425976642 247220393 /nfs/dbraw/zinc/22/03/93/247220393.db2.gz HIUYPLSWGPBAMW-UHFFFAOYSA-N 1 0 333.417 2.962 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000426327626 247263059 /nfs/dbraw/zinc/26/30/59/247263059.db2.gz VDDQLFYZTDTBEP-LLVKDONJSA-N 1 0 346.387 2.961 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000427064449 247313302 /nfs/dbraw/zinc/31/33/02/247313302.db2.gz LREXZIWEJQSDDJ-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000427405631 247346744 /nfs/dbraw/zinc/34/67/44/247346744.db2.gz FZBARQDUPRDDCM-UHFFFAOYSA-N 1 0 347.337 2.528 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000265309260 247392080 /nfs/dbraw/zinc/39/20/80/247392080.db2.gz ISDGACJXELQLCQ-LSDHHAIUSA-N 1 0 337.807 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc1 ZINC000265495201 247552289 /nfs/dbraw/zinc/55/22/89/247552289.db2.gz WPQLLQBXZAHUGU-UHFFFAOYSA-N 1 0 346.416 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429297900 247613951 /nfs/dbraw/zinc/61/39/51/247613951.db2.gz CNEMANYZDUOLJQ-AWEZNQCLSA-N 1 0 328.368 2.826 20 5 EFBDRO Cc1cc(OCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431570640 247916506 /nfs/dbraw/zinc/91/65/06/247916506.db2.gz LVAATKLZLBFMCA-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000065 248015540 /nfs/dbraw/zinc/01/55/40/248015540.db2.gz IXIUTUYNRVNCPC-HUUCEWRRSA-N 1 0 346.387 2.770 20 5 EFBDRO CCn1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000433098919 248016138 /nfs/dbraw/zinc/01/61/38/248016138.db2.gz YOUWNVVTOALLKH-QGZVFWFLSA-N 1 0 327.384 2.944 20 5 EFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCSC1 ZINC000433181718 248024692 /nfs/dbraw/zinc/02/46/92/248024692.db2.gz KMPDFECTCIGQIO-OAHLLOKOSA-N 1 0 340.445 2.947 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000433192717 248026614 /nfs/dbraw/zinc/02/66/14/248026614.db2.gz MMTUPNHNZJIEIL-XQRVVYSFSA-N 1 0 326.356 2.751 20 5 EFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433197237 248027996 /nfs/dbraw/zinc/02/79/96/248027996.db2.gz QRSXAWQCSQGNEN-OAHLLOKOSA-N 1 0 340.445 2.818 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000266081560 248083830 /nfs/dbraw/zinc/08/38/30/248083830.db2.gz DLSTZPQQVQUHGS-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266091811 248090796 /nfs/dbraw/zinc/09/07/96/248090796.db2.gz PQEHHBBJISJGRN-OAHLLOKOSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000266098127 248094801 /nfs/dbraw/zinc/09/48/01/248094801.db2.gz RAEXTHWQRRYQKW-DGCLKSJQSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266104537 248100067 /nfs/dbraw/zinc/10/00/67/248100067.db2.gz SKTLNIUNIDDCSG-HUUCEWRRSA-N 1 0 333.432 2.622 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000266047796 248061747 /nfs/dbraw/zinc/06/17/47/248061747.db2.gz FKXOBBPIROENKJ-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000266169202 248146196 /nfs/dbraw/zinc/14/61/96/248146196.db2.gz YXXICXYEKXGHMZ-HNNXBMFYSA-N 1 0 341.415 2.967 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000266121930 248111626 /nfs/dbraw/zinc/11/16/26/248111626.db2.gz AFXOHIBYAPQZJR-CVEARBPZSA-N 1 0 348.399 2.899 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C)C1 ZINC000266126049 248115471 /nfs/dbraw/zinc/11/54/71/248115471.db2.gz YWRWGJBUOZHESL-SJKOYZFVSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000435375144 248233098 /nfs/dbraw/zinc/23/30/98/248233098.db2.gz ZWGBTBCTXKCEPR-XHDPSFHLSA-N 1 0 332.429 2.887 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000435381473 248233538 /nfs/dbraw/zinc/23/35/38/248233538.db2.gz WOARZXXNTSUXEG-HNNXBMFYSA-N 1 0 326.400 2.896 20 5 EFBDRO C[C@H]1[NH2+]CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000435381997 248233943 /nfs/dbraw/zinc/23/39/43/248233943.db2.gz ZGMSZPHCXBZGKZ-VXGBXAGGSA-N 1 0 332.429 2.901 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000266510162 248337769 /nfs/dbraw/zinc/33/77/69/248337769.db2.gz DFAIHAMNUUNEHF-UHFFFAOYSA-N 1 0 326.393 2.729 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000266553968 248358276 /nfs/dbraw/zinc/35/82/76/248358276.db2.gz VIMBEPJXHXIJSP-DZGCQCFKSA-N 1 0 331.416 2.894 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437691351 249699814 /nfs/dbraw/zinc/69/98/14/249699814.db2.gz YTNIHDSCUZXODH-UHFFFAOYSA-N 1 0 346.431 2.755 20 5 EFBDRO Cn1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092938259 218181329 /nfs/dbraw/zinc/18/13/29/218181329.db2.gz BCMQHURKPYNIFU-QGZVFWFLSA-N 1 0 343.431 2.521 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)CCCO)s2)cc1 ZINC000093323827 218215948 /nfs/dbraw/zinc/21/59/48/218215948.db2.gz FKTNRQGDKULWQM-UHFFFAOYSA-N 1 0 336.413 2.500 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443646334 250214421 /nfs/dbraw/zinc/21/44/21/250214421.db2.gz CHKFCCVYGLSEJB-STQMWFEESA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000093970201 218258390 /nfs/dbraw/zinc/25/83/90/218258390.db2.gz BLSAOUPVQJQDGS-GFCCVEGCSA-N 1 0 333.432 2.982 20 5 EFBDRO C[C@@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444637986 250321113 /nfs/dbraw/zinc/32/11/13/250321113.db2.gz JMVUKXAVXPPKAE-KRWDZBQOSA-N 1 0 332.404 2.892 20 5 EFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655540 250323186 /nfs/dbraw/zinc/32/31/86/250323186.db2.gz WEOBMFOPFPGGPC-UHFFFAOYSA-N 1 0 334.376 2.635 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444651599 250323767 /nfs/dbraw/zinc/32/37/67/250323767.db2.gz PVGCZSUWTOIXDT-ZDUSSCGKSA-N 1 0 331.420 2.635 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CCOCC3)nc2c1 ZINC000444684750 250328892 /nfs/dbraw/zinc/32/88/92/250328892.db2.gz NSTQABLVEABAJL-MRXNPFEDSA-N 1 0 330.388 2.862 20 5 EFBDRO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444736994 250336757 /nfs/dbraw/zinc/33/67/57/250336757.db2.gz OFJCIUNIPSYSPT-HNNXBMFYSA-N 1 0 348.374 2.914 20 5 EFBDRO Cc1ccc(F)c(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444742141 250339106 /nfs/dbraw/zinc/33/91/06/250339106.db2.gz WEAXSYFXZNNCPT-INIZCTEOSA-N 1 0 348.374 2.914 20 5 EFBDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000444750362 250339978 /nfs/dbraw/zinc/33/99/78/250339978.db2.gz BPJDCDCJXDMNRA-OAHLLOKOSA-N 1 0 331.416 2.852 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnc2n1CCCCC2 ZINC000449077424 250905852 /nfs/dbraw/zinc/90/58/52/250905852.db2.gz VUUTVZORFHTQPG-CQSZACIVSA-N 1 0 343.431 2.676 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000449083015 250907248 /nfs/dbraw/zinc/90/72/48/250907248.db2.gz ADGJNHYBBPNUJH-CYBMUJFWSA-N 1 0 344.367 2.923 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000267305824 250929307 /nfs/dbraw/zinc/92/93/07/250929307.db2.gz RNLGUYQFKJECFF-LSDHHAIUSA-N 1 0 344.415 2.539 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000267305815 250929674 /nfs/dbraw/zinc/92/96/74/250929674.db2.gz RNLGUYQFKJECFF-CABCVRRESA-N 1 0 344.415 2.539 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449161413 250935369 /nfs/dbraw/zinc/93/53/69/250935369.db2.gz FJXQNQCVTOHCNB-AWEZNQCLSA-N 1 0 345.399 2.837 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449293821 250985373 /nfs/dbraw/zinc/98/53/73/250985373.db2.gz WSVSGPCJNULBIH-GFCCVEGCSA-N 1 0 328.372 2.669 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000449309818 250990482 /nfs/dbraw/zinc/99/04/82/250990482.db2.gz FEUUQFVJPRVPPF-UWWQBHOKSA-N 1 0 348.443 2.683 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449402065 251015502 /nfs/dbraw/zinc/01/55/02/251015502.db2.gz JMIORBYAABTKHF-XEZPLFJOSA-N 1 0 337.420 2.963 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449455923 251032811 /nfs/dbraw/zinc/03/28/11/251032811.db2.gz CZMAHWSFTIBBGM-KNIMUDFMSA-N 1 0 348.443 2.947 20 5 EFBDRO COC[C@]1(C(=O)OC)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449458638 251033203 /nfs/dbraw/zinc/03/32/03/251033203.db2.gz WLRNTXNVDTTXPH-MXHVWWQHSA-N 1 0 348.399 2.510 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000267413248 251037501 /nfs/dbraw/zinc/03/75/01/251037501.db2.gz KTATXFZBCUAJKS-DZGCQCFKSA-N 1 0 343.383 2.828 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000449518311 251050442 /nfs/dbraw/zinc/05/04/42/251050442.db2.gz NOPUZLBXJHFIJJ-CJNGLKHVSA-N 1 0 344.440 2.854 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000449519641 251051231 /nfs/dbraw/zinc/05/12/31/251051231.db2.gz QIHVHZKEOICCLB-PBHICJAKSA-N 1 0 327.384 2.991 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000267433724 251052537 /nfs/dbraw/zinc/05/25/37/251052537.db2.gz XJQWNSZLSZPRBP-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO COc1cc(C[NH2+]C[C@](C)(OC)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000449485161 251041357 /nfs/dbraw/zinc/04/13/57/251041357.db2.gz PGIYHNSBDJKLSI-SFHVURJKSA-N 1 0 346.383 2.960 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560987 251065162 /nfs/dbraw/zinc/06/51/62/251065162.db2.gz AGIWKFHTOYPNGV-STQMWFEESA-N 1 0 345.403 2.879 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449559455 251065242 /nfs/dbraw/zinc/06/52/42/251065242.db2.gz YIPVKBDJKVXZGZ-KEYYUXOJSA-N 1 0 334.416 2.976 20 5 EFBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449560984 251065346 /nfs/dbraw/zinc/06/53/46/251065346.db2.gz AGIWKFHTOYPNGV-CHWSQXEVSA-N 1 0 345.403 2.879 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000449591610 251075938 /nfs/dbraw/zinc/07/59/38/251075938.db2.gz WVPYORNSNDUPTO-WMLDXEAASA-N 1 0 330.388 2.647 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000267459489 251076801 /nfs/dbraw/zinc/07/68/01/251076801.db2.gz RFGQTSWFDPPBLC-ZFWWWQNUSA-N 1 0 342.399 2.706 20 5 EFBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449599032 251078599 /nfs/dbraw/zinc/07/85/99/251078599.db2.gz FBMGHABELJEFOW-LLVKDONJSA-N 1 0 333.413 2.938 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@@H]1CCOC1 ZINC000449680176 251113458 /nfs/dbraw/zinc/11/34/58/251113458.db2.gz GICUBYQCAKCUJV-UONOGXRCSA-N 1 0 335.404 2.718 20 5 EFBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449693673 251119584 /nfs/dbraw/zinc/11/95/84/251119584.db2.gz FBUUFXXISLSQEH-SFHVURJKSA-N 1 0 346.383 2.686 20 5 EFBDRO [NH3+]CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000449713752 251127965 /nfs/dbraw/zinc/12/79/65/251127965.db2.gz AKNZTTLKGOWDTP-NSHDSACASA-N 1 0 347.318 2.819 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449718994 251129415 /nfs/dbraw/zinc/12/94/15/251129415.db2.gz KSCWCIZUPQJJIE-LBPRGKRZSA-N 1 0 347.337 2.902 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449724967 251131649 /nfs/dbraw/zinc/13/16/49/251131649.db2.gz ZDOKKACOOXCFFU-NVXWUHKLSA-N 1 0 332.356 2.748 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449711160 251125606 /nfs/dbraw/zinc/12/56/06/251125606.db2.gz CVOHWYSIESSAFI-ZYHUDNBSSA-N 1 0 346.412 2.576 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449755818 251143308 /nfs/dbraw/zinc/14/33/08/251143308.db2.gz PCODKBHPIURJIR-IRXDYDNUSA-N 1 0 340.379 2.983 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000449768032 251149205 /nfs/dbraw/zinc/14/92/05/251149205.db2.gz FJJXQXBUNDDWIE-HOCLYGCPSA-N 1 0 330.388 2.647 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000449782458 251154202 /nfs/dbraw/zinc/15/42/02/251154202.db2.gz YIGHCEKAHUPORK-ZDUSSCGKSA-N 1 0 333.413 2.938 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449783036 251155291 /nfs/dbraw/zinc/15/52/91/251155291.db2.gz MULTVFITQQMMQW-UKPHBRMFSA-N 1 0 344.415 2.769 20 5 EFBDRO CC(C)[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCOCC1 ZINC000450241802 251311324 /nfs/dbraw/zinc/31/13/24/251311324.db2.gz KATYVDHGQIARBE-KRWDZBQOSA-N 1 0 344.415 2.912 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450266368 251322569 /nfs/dbraw/zinc/32/25/69/251322569.db2.gz QHPNFRUDSLCGCE-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450345243 251353184 /nfs/dbraw/zinc/35/31/84/251353184.db2.gz AJVRLTFWXQYLOJ-LBPRGKRZSA-N 1 0 337.420 2.699 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268285173 251794786 /nfs/dbraw/zinc/79/47/86/251794786.db2.gz XYAIOKZBTPYHTO-IINYFYTJSA-N 1 0 335.429 2.529 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453452448 252040212 /nfs/dbraw/zinc/04/02/12/252040212.db2.gz SGXWNFHEOIVZDG-VNQPRFMTSA-N 1 0 331.416 2.659 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000454310031 252210645 /nfs/dbraw/zinc/21/06/45/252210645.db2.gz FRGZDUILJTVVOB-AWEZNQCLSA-N 1 0 342.399 2.517 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCCCC1 ZINC000268808693 252261180 /nfs/dbraw/zinc/26/11/80/252261180.db2.gz GOJWAUHYRIXCQE-CYBMUJFWSA-N 1 0 335.404 2.597 20 5 EFBDRO C[NH2+][C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000133788647 533025494 /nfs/dbraw/zinc/02/54/94/533025494.db2.gz CPMICXGWUPHLAV-LBPRGKRZSA-N 1 0 346.412 2.542 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261580825 285083208 /nfs/dbraw/zinc/08/32/08/285083208.db2.gz FOVXVNZITFDHHQ-MWLCHTKSSA-N 1 0 326.194 2.546 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2c(c1)COCO2 ZINC000371072648 285086465 /nfs/dbraw/zinc/08/64/65/285086465.db2.gz DHJIGWBVXPJNCV-AWEZNQCLSA-N 1 0 348.399 2.710 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420222882 285106364 /nfs/dbraw/zinc/10/63/64/285106364.db2.gz YGQVVBBCEZHSCY-OAHLLOKOSA-N 1 0 343.387 2.613 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000193806396 285112811 /nfs/dbraw/zinc/11/28/11/285112811.db2.gz PRSBPBQOUJYIIO-OAHLLOKOSA-N 1 0 334.376 2.563 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153415423 224101527 /nfs/dbraw/zinc/10/15/27/224101527.db2.gz RFTLGKDEAIEQSO-YVEFUNNKSA-N 1 0 347.390 2.823 20 5 EFBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187165330 533096075 /nfs/dbraw/zinc/09/60/75/533096075.db2.gz FZWCPSKPYLOVEG-AUUYWEPGSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187180869 533096187 /nfs/dbraw/zinc/09/61/87/533096187.db2.gz JXBGKTMZCLWULU-KUHUBIRLSA-N 1 0 341.411 2.945 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360836422 285161145 /nfs/dbraw/zinc/16/11/45/285161145.db2.gz SERCGIJPINLGCU-CGTJXYLNSA-N 1 0 348.443 2.683 20 5 EFBDRO COCCOC[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000181513659 533116920 /nfs/dbraw/zinc/11/69/20/533116920.db2.gz HLSFOYLAIXUXPK-CQSZACIVSA-N 1 0 345.399 2.941 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112924702 220424950 /nfs/dbraw/zinc/42/49/50/220424950.db2.gz JHSOXQAJLSMTGH-VMPITWQZSA-N 1 0 331.416 2.798 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOC3(CCC3)C2)n1 ZINC000447589787 285169164 /nfs/dbraw/zinc/16/91/64/285169164.db2.gz YYRUEIIWKYNSKD-RBSFLKMASA-N 1 0 334.420 2.966 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000372365702 285189474 /nfs/dbraw/zinc/18/94/74/285189474.db2.gz JKUWXWUQYSNFKI-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153221494 533138712 /nfs/dbraw/zinc/13/87/12/533138712.db2.gz WNAQGRCUPZTROK-CHWSQXEVSA-N 1 0 333.388 2.664 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000186791510 533141383 /nfs/dbraw/zinc/14/13/83/533141383.db2.gz PYJJBASAPWMHQO-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153926125 224177177 /nfs/dbraw/zinc/17/71/77/224177177.db2.gz VOYQUSOMOKXVKE-UWVGGRQHSA-N 1 0 334.825 2.502 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154192879 224217405 /nfs/dbraw/zinc/21/74/05/224217405.db2.gz PTGLQQYDUBDHBO-VNHYZAJKSA-N 1 0 338.404 2.838 20 5 EFBDRO COCOc1ccc(OC)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000154483791 224259823 /nfs/dbraw/zinc/25/98/23/224259823.db2.gz MGKVTMSBXMLOLI-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000154995452 533213008 /nfs/dbraw/zinc/21/30/08/533213008.db2.gz FHJNHANRILSIJC-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269230632 255549340 /nfs/dbraw/zinc/54/93/40/255549340.db2.gz VOTRRDYLPYXPRB-ZJUUUORDSA-N 1 0 345.321 2.732 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000457171672 255681126 /nfs/dbraw/zinc/68/11/26/255681126.db2.gz SLFMLETXYCWHQR-UHFFFAOYSA-N 1 0 342.399 2.747 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459609224 255908106 /nfs/dbraw/zinc/90/81/06/255908106.db2.gz JBUUNJJCJYIPKK-DIFFPNOSSA-N 1 0 349.387 2.820 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000468631351 256017819 /nfs/dbraw/zinc/01/78/19/256017819.db2.gz LBGWQAVMHGNIHX-JVCXIRSZSA-N 1 0 347.459 2.945 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000118987915 221218603 /nfs/dbraw/zinc/21/86/03/221218603.db2.gz DAOMDSNHTOCMJG-JKSUJKDBSA-N 1 0 331.416 2.714 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000154668797 224288079 /nfs/dbraw/zinc/28/80/79/224288079.db2.gz FIGDBJOYJPJDGG-ATZDWAIDSA-N 1 0 345.443 2.577 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153295642 533224450 /nfs/dbraw/zinc/22/44/50/533224450.db2.gz SESSTDFOBJCUPF-STQMWFEESA-N 1 0 333.388 2.664 20 5 EFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000155378445 224408169 /nfs/dbraw/zinc/40/81/69/224408169.db2.gz RSSKVGPINUHNNF-GFCCVEGCSA-N 1 0 344.371 2.538 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279846615 257938733 /nfs/dbraw/zinc/93/87/33/257938733.db2.gz DBCJYRVAZLECNE-NSHDSACASA-N 1 0 343.786 2.530 20 5 EFBDRO CN(c1ncccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000301133388 258016598 /nfs/dbraw/zinc/01/65/98/258016598.db2.gz VJNZFYDPCAMRKS-UHFFFAOYSA-N 1 0 341.415 2.528 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000189825752 533278969 /nfs/dbraw/zinc/27/89/69/533278969.db2.gz MBOAAYTWDSWUPT-SJKOYZFVSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173371995 533385361 /nfs/dbraw/zinc/38/53/61/533385361.db2.gz DSHMNJQEZODNKL-CYBMUJFWSA-N 1 0 343.383 2.771 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000344871888 533408486 /nfs/dbraw/zinc/40/84/86/533408486.db2.gz ZKIQQFSMMPEMQB-GXDHUFHOSA-N 1 0 339.395 2.929 20 5 EFBDRO COc1cccc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174837291 533441385 /nfs/dbraw/zinc/44/13/85/533441385.db2.gz AETRIWUQQUZOPL-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000190400766 533529737 /nfs/dbraw/zinc/52/97/37/533529737.db2.gz NGVLDIIXNGMIKO-UHFFFAOYSA-N 1 0 349.431 2.762 20 5 EFBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1C ZINC000191291662 533533550 /nfs/dbraw/zinc/53/35/50/533533550.db2.gz AKZASDIQGXPBEK-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132407767 533540039 /nfs/dbraw/zinc/54/00/39/533540039.db2.gz CZQAMVXLNLSVBQ-RISCZKNCSA-N 1 0 335.404 2.858 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000007922724 135681770 /nfs/dbraw/zinc/68/17/70/135681770.db2.gz RKTXCCAVLXEKSU-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160433670 296506380 /nfs/dbraw/zinc/50/63/80/296506380.db2.gz CYEDKBNYOAPOHG-CQSZACIVSA-N 1 0 334.376 2.958 20 5 EFBDRO COc1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000305203240 141462533 /nfs/dbraw/zinc/46/25/33/141462533.db2.gz YBKZJWXPCWBJGD-GOSISDBHSA-N 1 0 328.368 2.527 20 5 EFBDRO C[C@@H](NC(=O)c1cccn1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000327396389 141504528 /nfs/dbraw/zinc/50/45/28/141504528.db2.gz ZRNGKQVDIUQUKH-CYBMUJFWSA-N 1 0 342.399 2.812 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000337362657 141580187 /nfs/dbraw/zinc/58/01/87/141580187.db2.gz KSWKWOMACSPAPX-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000338713487 141665067 /nfs/dbraw/zinc/66/50/67/141665067.db2.gz KVSIQBYWVFTAOD-HWKANZROSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343271725 141964863 /nfs/dbraw/zinc/96/48/63/141964863.db2.gz BPSXDSKPUSTJEC-UHFFFAOYSA-N 1 0 345.403 2.957 20 5 EFBDRO O=C(C1CCC1)N(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343527237 142012678 /nfs/dbraw/zinc/01/26/78/142012678.db2.gz LLYKAIYGIFKUEQ-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344429224 142015258 /nfs/dbraw/zinc/01/52/58/142015258.db2.gz REUREEBKWHVYAZ-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344462262 142021318 /nfs/dbraw/zinc/02/13/18/142021318.db2.gz QTGAWNVGEOZGAI-CHWSQXEVSA-N 1 0 334.420 2.581 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344473467 142023453 /nfs/dbraw/zinc/02/34/53/142023453.db2.gz LRGZWWACCSLDKE-HKCMKHECSA-N 1 0 335.404 2.571 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000344475841 142023764 /nfs/dbraw/zinc/02/37/64/142023764.db2.gz RAWBYLONCZZGGR-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000344485848 142025961 /nfs/dbraw/zinc/02/59/61/142025961.db2.gz YEZJINXIYMJGRP-CZPYZCIJSA-N 1 0 349.431 2.879 20 5 EFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000344605153 142048001 /nfs/dbraw/zinc/04/80/01/142048001.db2.gz NJTHHJWKXXMVCC-ZDUSSCGKSA-N 1 0 344.415 2.793 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000344607356 142048411 /nfs/dbraw/zinc/04/84/11/142048411.db2.gz DXHKYNJSDJJEDZ-OAHLLOKOSA-N 1 0 344.415 2.926 20 5 EFBDRO CNc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000344717465 142066640 /nfs/dbraw/zinc/06/66/40/142066640.db2.gz AKLLTYNSDROWNY-ZDUSSCGKSA-N 1 0 346.431 2.583 20 5 EFBDRO CC[N@H+](CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000344736873 142069968 /nfs/dbraw/zinc/06/99/68/142069968.db2.gz DKCUOHNUTSODJV-UHFFFAOYSA-N 1 0 336.436 2.509 20 5 EFBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000344831713 142085335 /nfs/dbraw/zinc/08/53/35/142085335.db2.gz MQCDLACWFGHUON-UHFFFAOYSA-N 1 0 345.241 2.839 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000344961815 142103652 /nfs/dbraw/zinc/10/36/52/142103652.db2.gz HKGHNYMJMOMWJP-GJZGRUSLSA-N 1 0 349.431 2.613 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345975091 142127048 /nfs/dbraw/zinc/12/70/48/142127048.db2.gz XVNALAUNHQNWLS-CABCVRRESA-N 1 0 348.447 2.728 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346005009 142131954 /nfs/dbraw/zinc/13/19/54/142131954.db2.gz YMGMVHYNRLRYDC-QWRGUYRKSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000346187832 142164192 /nfs/dbraw/zinc/16/41/92/142164192.db2.gz OISSCBWYDDTKEQ-MKBNYLNASA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346220459 142170365 /nfs/dbraw/zinc/17/03/65/142170365.db2.gz KUSCXAKPOLMSKR-NTZNESFSSA-N 1 0 337.445 2.767 20 5 EFBDRO Cc1c(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000346246713 142175834 /nfs/dbraw/zinc/17/58/34/142175834.db2.gz MPPVHTBAINASKL-CJNGLKHVSA-N 1 0 346.431 2.671 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346286919 142183576 /nfs/dbraw/zinc/18/35/76/142183576.db2.gz ZROPILYNSRJDQR-SUYBPPKGSA-N 1 0 331.416 2.706 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347426255 142214012 /nfs/dbraw/zinc/21/40/12/142214012.db2.gz WCSFMBLCWJTIOA-CQSZACIVSA-N 1 0 343.431 2.740 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347490096 142225570 /nfs/dbraw/zinc/22/55/70/142225570.db2.gz ZEOXFMNPTJKWDB-IAGOWNOFSA-N 1 0 344.415 2.969 20 5 EFBDRO COC(=O)c1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1C ZINC000347590558 142240961 /nfs/dbraw/zinc/24/09/61/142240961.db2.gz OWNZPLVRFFMWSP-UHFFFAOYSA-N 1 0 343.383 2.885 20 5 EFBDRO Cc1ccncc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347847518 142281475 /nfs/dbraw/zinc/28/14/75/142281475.db2.gz GOMIQIOSBATOAZ-MRXNPFEDSA-N 1 0 341.415 2.812 20 5 EFBDRO CC[NH+](CC)CCOCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000347849534 142281698 /nfs/dbraw/zinc/28/16/98/142281698.db2.gz DTOWZNNJOONJJU-UHFFFAOYSA-N 1 0 332.404 2.913 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000347945978 142297901 /nfs/dbraw/zinc/29/79/01/142297901.db2.gz FFGBJDBOJQMJKK-OAHLLOKOSA-N 1 0 346.431 2.772 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347952907 142298781 /nfs/dbraw/zinc/29/87/81/142298781.db2.gz NNUHUOHNWKPSEW-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000347951368 142298943 /nfs/dbraw/zinc/29/89/43/142298943.db2.gz MMHXGUOBRIDLLX-MRXNPFEDSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347987121 142304328 /nfs/dbraw/zinc/30/43/28/142304328.db2.gz BAHUSWIZYDIZKE-NEPJUHHUSA-N 1 0 335.379 2.604 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000348018931 142309729 /nfs/dbraw/zinc/30/97/29/142309729.db2.gz OJFACXXQWBRIIG-AVGNSLFASA-N 1 0 335.379 2.580 20 5 EFBDRO C[C@H](CC1CCCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349674592 142347191 /nfs/dbraw/zinc/34/71/91/142347191.db2.gz ZKDNCDVPDMLYDY-CYBMUJFWSA-N 1 0 340.445 2.927 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000349802065 142361604 /nfs/dbraw/zinc/36/16/04/142361604.db2.gz HOLZVSRSGTVRGP-GFCCVEGCSA-N 1 0 343.387 2.945 20 5 EFBDRO C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349979954 142385957 /nfs/dbraw/zinc/38/59/57/142385957.db2.gz XYPYKILRRIZQLW-ZBFHGGJFSA-N 1 0 348.447 2.929 20 5 EFBDRO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000339913774 144879783 /nfs/dbraw/zinc/87/97/83/144879783.db2.gz WZXPCKMHQBTOHD-ZDUSSCGKSA-N 1 0 334.420 2.639 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000341185756 145008097 /nfs/dbraw/zinc/00/80/97/145008097.db2.gz BCTSWVSOTIPZKN-OAHLLOKOSA-N 1 0 343.383 2.555 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000341279798 145025600 /nfs/dbraw/zinc/02/56/00/145025600.db2.gz SOQJYOKCIRJGKP-WMLDXEAASA-N 1 0 344.415 2.900 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000341403834 145046412 /nfs/dbraw/zinc/04/64/12/145046412.db2.gz RDAXUTLEBNMYHV-CYBMUJFWSA-N 1 0 342.399 2.878 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@H]1CCCC2 ZINC000342185161 145077653 /nfs/dbraw/zinc/07/76/53/145077653.db2.gz ZTKLRPOTGKSBEK-RDTXWAMCSA-N 1 0 348.399 2.769 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000342297605 145095917 /nfs/dbraw/zinc/09/59/17/145095917.db2.gz XSRGEXXJUXWXAM-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000342321058 145100194 /nfs/dbraw/zinc/10/01/94/145100194.db2.gz GNHSXGZAFZAJIN-CYBMUJFWSA-N 1 0 340.445 2.769 20 5 EFBDRO C[C@@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342353819 145107790 /nfs/dbraw/zinc/10/77/90/145107790.db2.gz HFTCITMYDOUNEY-KGLIPLIRSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342361674 145108508 /nfs/dbraw/zinc/10/85/08/145108508.db2.gz LRWJQUMSDWSMKB-LRDDRELGSA-N 1 0 346.431 2.612 20 5 EFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000342401908 145117393 /nfs/dbraw/zinc/11/73/93/145117393.db2.gz ZRETUQPDGNMZDG-LJQANCHMSA-N 1 0 341.411 2.962 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342446520 145128201 /nfs/dbraw/zinc/12/82/01/145128201.db2.gz SCWPRQHWWWAAGI-KBPBESRZSA-N 1 0 349.456 2.772 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000342636664 145163836 /nfs/dbraw/zinc/16/38/36/145163836.db2.gz ROFNUYVIEITBLU-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000342655660 145166879 /nfs/dbraw/zinc/16/68/79/145166879.db2.gz NCZFBUODTBJLRJ-ZYHUDNBSSA-N 1 0 340.811 2.530 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000342767467 145188010 /nfs/dbraw/zinc/18/80/10/145188010.db2.gz CRHXBEWOXKOSGQ-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000343541559 145232914 /nfs/dbraw/zinc/23/29/14/145232914.db2.gz HFKUTKLHGPQKRQ-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000343570809 145241266 /nfs/dbraw/zinc/24/12/66/145241266.db2.gz ACOQAIFPYDOONZ-ZDUSSCGKSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000343571730 145241297 /nfs/dbraw/zinc/24/12/97/145241297.db2.gz JMUHKGRZWMEOPC-HOTGVXAUSA-N 1 0 328.368 2.782 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000343587655 145246149 /nfs/dbraw/zinc/24/61/49/145246149.db2.gz FGFJTUDQVSLKGH-MRXNPFEDSA-N 1 0 333.432 2.863 20 5 EFBDRO [NH3+]CC1CCC(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343601062 145249201 /nfs/dbraw/zinc/24/92/01/145249201.db2.gz PQNDRZHWEVQARS-UHFFFAOYSA-N 1 0 348.447 2.668 20 5 EFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1Cc1ccccc1 ZINC000343644304 145260464 /nfs/dbraw/zinc/26/04/64/145260464.db2.gz FFRSEZGTAZQMRK-AWEZNQCLSA-N 1 0 344.390 2.679 20 5 EFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000343721079 145279669 /nfs/dbraw/zinc/27/96/69/145279669.db2.gz WFGGWRRTSWACRR-LBPRGKRZSA-N 1 0 330.388 2.782 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343896036 145319451 /nfs/dbraw/zinc/31/94/51/145319451.db2.gz MBWIMRZQRTYHEV-ABAIWWIYSA-N 1 0 349.456 2.919 20 5 EFBDRO C[C@@H](NCc1ccncc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000343917708 145324242 /nfs/dbraw/zinc/32/42/42/145324242.db2.gz BDYUUOHEYQUHEL-CQSZACIVSA-N 1 0 344.415 2.781 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954721 145332097 /nfs/dbraw/zinc/33/20/97/145332097.db2.gz MOGNSLYKKBOBSW-WCQYABFASA-N 1 0 333.388 2.662 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000343981184 145338325 /nfs/dbraw/zinc/33/83/25/145338325.db2.gz JOIQGOMNKRCQJT-HZCDGDGTSA-N 1 0 331.416 2.892 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344077718 145363001 /nfs/dbraw/zinc/36/30/01/145363001.db2.gz WVZBHIZVKWYRQK-UHFFFAOYSA-N 1 0 342.871 2.564 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000344097117 145367451 /nfs/dbraw/zinc/36/74/51/145367451.db2.gz IETRKMULAPPULE-HOTGVXAUSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129432 145375154 /nfs/dbraw/zinc/37/51/54/145375154.db2.gz MBKCNNPGIFTGCL-QWHCGFSZSA-N 1 0 331.372 2.843 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000344131352 145375175 /nfs/dbraw/zinc/37/51/75/145375175.db2.gz WVLIIDJMIOGXHX-BBWFWOEESA-N 1 0 331.416 2.640 20 5 EFBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129431 145375184 /nfs/dbraw/zinc/37/51/84/145375184.db2.gz MBKCNNPGIFTGCL-OLZOCXBDSA-N 1 0 331.372 2.843 20 5 EFBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344129429 145375320 /nfs/dbraw/zinc/37/53/20/145375320.db2.gz MBKCNNPGIFTGCL-CHWSQXEVSA-N 1 0 331.372 2.843 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000344132701 145376026 /nfs/dbraw/zinc/37/60/26/145376026.db2.gz WVLIIDJMIOGXHX-GVDBMIGSSA-N 1 0 331.416 2.640 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000344188236 145387544 /nfs/dbraw/zinc/38/75/44/145387544.db2.gz XSEGOPOHQRANKV-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215644 145394713 /nfs/dbraw/zinc/39/47/13/145394713.db2.gz QBUIDVCQRYBJGC-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000347255291 145825059 /nfs/dbraw/zinc/82/50/59/145825059.db2.gz RSGVWEUSINXRNV-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000347389819 145857443 /nfs/dbraw/zinc/85/74/43/145857443.db2.gz NRLSSNRUZJADRO-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348544032 145969802 /nfs/dbraw/zinc/96/98/02/145969802.db2.gz AXYSWMZWNIBMOQ-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348832218 146010031 /nfs/dbraw/zinc/01/00/31/146010031.db2.gz HSHMPDSRWQPRRL-IOBAAEILSA-N 1 0 331.416 2.989 20 5 EFBDRO [NH3+]CCN(Cc1cnc2ccc(Cl)cn12)c1ccccc1[N+](=O)[O-] ZINC000348906531 146022186 /nfs/dbraw/zinc/02/21/86/146022186.db2.gz UBYOBRLUULKBKQ-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348919609 146024494 /nfs/dbraw/zinc/02/44/94/146024494.db2.gz NUVQDKBMWWKHHC-KRWDZBQOSA-N 1 0 347.415 2.733 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000349078879 146048839 /nfs/dbraw/zinc/04/88/39/146048839.db2.gz FTMVKQBVFBGPLN-UHFFFAOYSA-N 1 0 344.371 2.790 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000349201477 146065697 /nfs/dbraw/zinc/06/56/97/146065697.db2.gz LANLXKBYJZENNW-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000351608910 146158535 /nfs/dbraw/zinc/15/85/35/146158535.db2.gz JDJBZOWDEBCFIY-SNVBAGLBSA-N 1 0 326.372 2.832 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000351944908 146243572 /nfs/dbraw/zinc/24/35/72/146243572.db2.gz NOKQTOHTZNTSCZ-UONOGXRCSA-N 1 0 344.415 2.817 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352109342 146292075 /nfs/dbraw/zinc/29/20/75/146292075.db2.gz HJKDCGQICDAXCP-HIFRSBDPSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000352158882 146304526 /nfs/dbraw/zinc/30/45/26/146304526.db2.gz OQAJDZURTYMRGJ-LLVKDONJSA-N 1 0 327.340 2.891 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)c2ccccc2)c1 ZINC000352846541 146331923 /nfs/dbraw/zinc/33/19/23/146331923.db2.gz ABWVWFQSFBPIFN-QXAKKESOSA-N 1 0 342.395 2.671 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352892201 146342622 /nfs/dbraw/zinc/34/26/22/146342622.db2.gz ISXBVRJXQHBNCZ-PBHICJAKSA-N 1 0 349.431 2.573 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353047845 146385102 /nfs/dbraw/zinc/38/51/02/146385102.db2.gz FPYSRCUHLBBKJG-WMZOPIPTSA-N 1 0 328.368 2.782 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000353088563 146393555 /nfs/dbraw/zinc/39/35/55/146393555.db2.gz MELRAZRXHBQKJK-VURMDHGXSA-N 1 0 338.429 2.555 20 5 EFBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000355423559 146953559 /nfs/dbraw/zinc/95/35/59/146953559.db2.gz RKERRPXXYSKADB-CYBMUJFWSA-N 1 0 332.404 2.536 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000355593653 147006999 /nfs/dbraw/zinc/00/69/99/147006999.db2.gz CVDNMZNIBLYGEO-AWEZNQCLSA-N 1 0 336.388 2.767 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355599732 147008513 /nfs/dbraw/zinc/00/85/13/147008513.db2.gz NZZZSZLBTYDHOM-CABCVRRESA-N 1 0 348.399 2.911 20 5 EFBDRO CC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355607205 147011100 /nfs/dbraw/zinc/01/11/00/147011100.db2.gz MRUAJSVLLHYUEI-ZDUSSCGKSA-N 1 0 336.388 2.769 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355711970 147041733 /nfs/dbraw/zinc/04/17/33/147041733.db2.gz AGKYDTSFVIBCLI-SFHVURJKSA-N 1 0 327.384 2.644 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000355762050 147055924 /nfs/dbraw/zinc/05/59/24/147055924.db2.gz UKWHANSSVMOMCL-SFHVURJKSA-N 1 0 345.374 2.783 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000449289730 292161234 /nfs/dbraw/zinc/16/12/34/292161234.db2.gz VBVZUGLCCNERIC-CABCVRRESA-N 1 0 348.447 2.729 20 5 EFBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356170056 147166255 /nfs/dbraw/zinc/16/62/55/147166255.db2.gz PHKSEFKWVIUUNR-UHFFFAOYSA-N 1 0 340.399 2.617 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356811714 147342698 /nfs/dbraw/zinc/34/26/98/147342698.db2.gz IAFXIDGHJOFHCJ-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356875316 147360368 /nfs/dbraw/zinc/36/03/68/147360368.db2.gz ASRJPYWTDXKZFT-GFCCVEGCSA-N 1 0 337.445 2.628 20 5 EFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1 ZINC000356882787 147361989 /nfs/dbraw/zinc/36/19/89/147361989.db2.gz UQEYDRUALCUFAQ-SNVBAGLBSA-N 1 0 349.774 2.876 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359144906 148007636 /nfs/dbraw/zinc/00/76/36/148007636.db2.gz SVERJEBCNRGIMS-OAHLLOKOSA-N 1 0 333.432 2.860 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000359208862 148023653 /nfs/dbraw/zinc/02/36/53/148023653.db2.gz AKWPTSYTOCEURB-HNNXBMFYSA-N 1 0 348.447 2.680 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000359234021 148031162 /nfs/dbraw/zinc/03/11/62/148031162.db2.gz KNAQQYZGHFIMRR-JSGCOSHPSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000359541789 148116167 /nfs/dbraw/zinc/11/61/67/148116167.db2.gz KJXKLEUKDWEQEK-CZUORRHYSA-N 1 0 348.447 2.917 20 5 EFBDRO Cc1c(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000359549612 148119143 /nfs/dbraw/zinc/11/91/43/148119143.db2.gz FCNYZXOEYBHFKS-CQSZACIVSA-N 1 0 348.447 2.775 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000359551351 148119589 /nfs/dbraw/zinc/11/95/89/148119589.db2.gz KKMKKHKVBGRDTO-UHFFFAOYSA-N 1 0 335.383 2.932 20 5 EFBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417387424 286013664 /nfs/dbraw/zinc/01/36/64/286013664.db2.gz ZCEFHZWRMFDFEE-CJNGLKHVSA-N 1 0 337.420 2.963 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000359643734 148148704 /nfs/dbraw/zinc/14/87/04/148148704.db2.gz DROUZRHFMIZKMB-KRWDZBQOSA-N 1 0 332.356 2.750 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000359662854 148155861 /nfs/dbraw/zinc/15/58/61/148155861.db2.gz JFFPDYXEPZNFSJ-CYBMUJFWSA-N 1 0 335.379 2.682 20 5 EFBDRO Cc1c(C[NH2+]Cc2cn(C)nc2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000359817561 148197052 /nfs/dbraw/zinc/19/70/52/148197052.db2.gz MTSXVYQRLRDQFG-UHFFFAOYSA-N 1 0 337.383 2.989 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)o1 ZINC000359947644 148231454 /nfs/dbraw/zinc/23/14/54/148231454.db2.gz RAEIASCQEMDURY-INIZCTEOSA-N 1 0 346.383 2.732 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)C2CCOCC2)o1 ZINC000359947645 148231599 /nfs/dbraw/zinc/23/15/99/148231599.db2.gz RAEIASCQEMDURY-MRXNPFEDSA-N 1 0 346.383 2.732 20 5 EFBDRO Cc1cc(N2CCC(F)(F)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359966548 148237879 /nfs/dbraw/zinc/23/78/79/148237879.db2.gz PSPXLVSBGMCKFC-NSHDSACASA-N 1 0 337.326 2.905 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360140276 148281536 /nfs/dbraw/zinc/28/15/36/148281536.db2.gz NUUDQTQCKKXAJM-AWEZNQCLSA-N 1 0 327.384 2.984 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000360206517 148298643 /nfs/dbraw/zinc/29/86/43/148298643.db2.gz AMSWDOWLVZYANA-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO CNc1c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000360938034 148495348 /nfs/dbraw/zinc/49/53/48/148495348.db2.gz QBQDEVMZWTYRCF-UHFFFAOYSA-N 1 0 336.436 2.827 20 5 EFBDRO COc1ccc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000361469154 148633967 /nfs/dbraw/zinc/63/39/67/148633967.db2.gz LLNVPLJDLFMVAT-HNNXBMFYSA-N 1 0 343.383 2.652 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000363950658 149036314 /nfs/dbraw/zinc/03/63/14/149036314.db2.gz IVMOVZHFIJZDAD-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CCOC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363965518 149039280 /nfs/dbraw/zinc/03/92/80/149039280.db2.gz ZDMAXOHIYHMFDH-KGLIPLIRSA-N 1 0 333.388 2.810 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](n4cncn4)C3)o2)c1 ZINC000364513511 149172587 /nfs/dbraw/zinc/17/25/87/149172587.db2.gz UWILELFNLCAZMG-HNNXBMFYSA-N 1 0 339.355 2.893 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCO[C@H]3C3CC3)o2)c1 ZINC000365206286 149343503 /nfs/dbraw/zinc/34/35/03/149343503.db2.gz XGXAMFYLFKHXNB-QAPCUYQASA-N 1 0 343.383 2.949 20 5 EFBDRO Cc1cnn(CCCCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365817594 149487058 /nfs/dbraw/zinc/48/70/58/149487058.db2.gz BWUXHFZPAHDKHL-UHFFFAOYSA-N 1 0 346.435 2.804 20 5 EFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000367599971 149910619 /nfs/dbraw/zinc/91/06/19/149910619.db2.gz YQHAHIDMBVGHHE-BPQIPLTHSA-N 1 0 344.415 2.732 20 5 EFBDRO C[N@@H+]1CCCC12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000368611111 150162556 /nfs/dbraw/zinc/16/25/56/150162556.db2.gz HAROKWKZKZSUPY-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000368656981 150172533 /nfs/dbraw/zinc/17/25/33/150172533.db2.gz COQZSSOASMCITE-KPBXEYHCSA-N 1 0 329.400 2.693 20 5 EFBDRO O=C(CC[N@@H+]1CCOCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369012867 150258126 /nfs/dbraw/zinc/25/81/26/150258126.db2.gz ZGJHCBYOPSLTGA-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000369145353 150284372 /nfs/dbraw/zinc/28/43/72/150284372.db2.gz QZUWNHFRDIWRFV-INIZCTEOSA-N 1 0 330.388 2.572 20 5 EFBDRO COc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353587054 286177500 /nfs/dbraw/zinc/17/75/00/286177500.db2.gz AZCVIXVGIZMNSR-INIZCTEOSA-N 1 0 343.383 2.636 20 5 EFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000372688418 151046798 /nfs/dbraw/zinc/04/67/98/151046798.db2.gz DYOIZFORFXQCIE-ZDUSSCGKSA-N 1 0 338.839 2.829 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1[N+](=O)[O-] ZINC000373535050 151185856 /nfs/dbraw/zinc/18/58/56/151185856.db2.gz QBSGCGBAXCFAFH-IBGZPJMESA-N 1 0 337.379 2.999 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCCc2c1cnn2C ZINC000373777878 151224358 /nfs/dbraw/zinc/22/43/58/151224358.db2.gz PJVOCYOKFDSAHE-OAHLLOKOSA-N 1 0 330.388 2.846 20 5 EFBDRO COc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000374059710 151276992 /nfs/dbraw/zinc/27/69/92/151276992.db2.gz SZYNRBCVFPGWIN-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nccn3C)C2)c1 ZINC000374389871 151337897 /nfs/dbraw/zinc/33/78/97/151337897.db2.gz VLQIYJRDPSYUMR-NSHDSACASA-N 1 0 346.412 2.680 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000374620098 151382548 /nfs/dbraw/zinc/38/25/48/151382548.db2.gz LNVLXJCROGSUHJ-NVXWUHKLSA-N 1 0 328.368 2.612 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127649418 292246151 /nfs/dbraw/zinc/24/61/51/292246151.db2.gz ICXKSMORPQZHKF-GUYCJALGSA-N 1 0 331.416 2.955 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000378275948 152046193 /nfs/dbraw/zinc/04/61/93/152046193.db2.gz XVKXLPZKDQEDNK-ZDUSSCGKSA-N 1 0 325.328 2.730 20 5 EFBDRO Cc1c(CNC(=O)N2CCCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000408327522 152176284 /nfs/dbraw/zinc/17/62/84/152176284.db2.gz BRUIWNXAKPIIPA-UHFFFAOYSA-N 1 0 346.431 2.673 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000408332996 152177683 /nfs/dbraw/zinc/17/76/83/152177683.db2.gz YOENDXDJUYRLDE-NFAWXSAZSA-N 1 0 335.452 2.961 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159535069 225234664 /nfs/dbraw/zinc/23/46/64/225234664.db2.gz DAQDRXDCTOWBAR-WHOFXGATSA-N 1 0 346.387 2.799 20 5 EFBDRO Cc1nn(C)c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000160243073 225368750 /nfs/dbraw/zinc/36/87/50/225368750.db2.gz AHOHGDKISVCTMP-WFASDCNBSA-N 1 0 329.404 2.569 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000171410710 227065542 /nfs/dbraw/zinc/06/55/42/227065542.db2.gz CMOWBLWCOGOTIH-IJLUTSLNSA-N 1 0 349.387 2.676 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000122839465 222170251 /nfs/dbraw/zinc/17/02/51/222170251.db2.gz LPQUKLSIZAXYJC-ZDUSSCGKSA-N 1 0 348.403 2.553 20 5 EFBDRO C[C@H]1C[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000123358206 222264124 /nfs/dbraw/zinc/26/41/24/222264124.db2.gz HIKPQKZXJDBFKU-JSGCOSHPSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000124000874 222363715 /nfs/dbraw/zinc/36/37/15/222363715.db2.gz XEXWIJKZNXFSDE-IUODEOHRSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000124156765 222383607 /nfs/dbraw/zinc/38/36/07/222383607.db2.gz IEXRFTVMPJDMRZ-AWEZNQCLSA-N 1 0 348.447 2.583 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124173684 222386998 /nfs/dbraw/zinc/38/69/98/222386998.db2.gz QOEIKXPWQJDLKW-INIZCTEOSA-N 1 0 333.432 2.622 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092506591 544546283 /nfs/dbraw/zinc/54/62/83/544546283.db2.gz FCZKDNSMOWYYEC-JZXOWHBKSA-N 1 0 347.459 2.977 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170734975 544858367 /nfs/dbraw/zinc/85/83/67/544858367.db2.gz KKHIDBYYVFJITJ-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170734973 544859207 /nfs/dbraw/zinc/85/92/07/544859207.db2.gz KKHIDBYYVFJITJ-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000032461888 272966310 /nfs/dbraw/zinc/96/63/10/272966310.db2.gz ZWHCTNAACONMSH-UHFFFAOYSA-N 1 0 329.356 2.714 20 5 EFBDRO C[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085290091 264632634 /nfs/dbraw/zinc/63/26/34/264632634.db2.gz UOGFLRKPIHSDAN-YPUOHESYSA-N 1 0 337.395 2.840 20 5 EFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184171230 265010039 /nfs/dbraw/zinc/01/00/39/265010039.db2.gz MXDDQSCCWRGPOW-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184738887 265025343 /nfs/dbraw/zinc/02/53/43/265025343.db2.gz VSIVFNUBOCSQTQ-GFCCVEGCSA-N 1 0 340.811 2.532 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186356252 265064267 /nfs/dbraw/zinc/06/42/67/265064267.db2.gz PUARFJGPENZZPJ-CYBMUJFWSA-N 1 0 335.404 2.860 20 5 EFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189378853 265187469 /nfs/dbraw/zinc/18/74/69/265187469.db2.gz AWUFTPCXEHFZDJ-ZDUSSCGKSA-N 1 0 335.404 2.941 20 5 EFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000189520314 265191610 /nfs/dbraw/zinc/19/16/10/265191610.db2.gz SJUKWEJDVLVJRW-CYBMUJFWSA-N 1 0 336.310 2.609 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000191581900 265269754 /nfs/dbraw/zinc/26/97/54/265269754.db2.gz BJEQUIQMKOIDTQ-GOSISDBHSA-N 1 0 328.368 2.815 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000193676699 265342416 /nfs/dbraw/zinc/34/24/16/265342416.db2.gz CPWPWMFSBBEPCA-XHDPSFHLSA-N 1 0 325.434 2.897 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCOC(F)F ZINC000194033667 265358953 /nfs/dbraw/zinc/35/89/53/265358953.db2.gz PSWNMERAPMCVIF-SNVBAGLBSA-N 1 0 331.319 2.531 20 5 EFBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1OC ZINC000194905784 265396095 /nfs/dbraw/zinc/39/60/95/265396095.db2.gz JQGDZDOHEKTOAB-AWEZNQCLSA-N 1 0 346.387 2.722 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000237031355 265448294 /nfs/dbraw/zinc/44/82/94/265448294.db2.gz KGDWCZAUHZEVPL-GQCTYLIASA-N 1 0 335.379 2.595 20 5 EFBDRO [NH3+]C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237894066 265467209 /nfs/dbraw/zinc/46/72/09/265467209.db2.gz HHIYUYVDBXZWIB-LLVKDONJSA-N 1 0 346.412 2.529 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000271586333 266013874 /nfs/dbraw/zinc/01/38/74/266013874.db2.gz RTMHMYGYRCYBIV-HZSPNIEDSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000271586338 266013886 /nfs/dbraw/zinc/01/38/86/266013886.db2.gz RTMHMYGYRCYBIV-MGPQQGTHSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000271620681 266023464 /nfs/dbraw/zinc/02/34/64/266023464.db2.gz CYFPERRGEXNYDW-CJNGLKHVSA-N 1 0 346.383 2.694 20 5 EFBDRO CCCCOCCNC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271683522 266040774 /nfs/dbraw/zinc/04/07/74/266040774.db2.gz CKBHLUUMTQUGMH-MRXNPFEDSA-N 1 0 337.420 2.568 20 5 EFBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000271793523 266063586 /nfs/dbraw/zinc/06/35/86/266063586.db2.gz ARCCGHYOYRYQDO-GOSISDBHSA-N 1 0 327.384 2.806 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000272026399 266127870 /nfs/dbraw/zinc/12/78/70/266127870.db2.gz NXXVLENJOXQORZ-QGZVFWFLSA-N 1 0 338.404 2.609 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272215407 266192562 /nfs/dbraw/zinc/19/25/62/266192562.db2.gz QYSVKHWTQODCJI-YGRLFVJLSA-N 1 0 340.221 2.888 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272222416 266193935 /nfs/dbraw/zinc/19/39/35/266193935.db2.gz NWVJOCMZFWXOSZ-JSGCOSHPSA-N 1 0 341.358 2.676 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000272247020 266203340 /nfs/dbraw/zinc/20/33/40/266203340.db2.gz YLBKMAHXRNGBTB-CQSZACIVSA-N 1 0 349.431 2.552 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272305353 266222991 /nfs/dbraw/zinc/22/29/91/266222991.db2.gz QNPJSOCNJABARY-QMTHXVAHSA-N 1 0 338.795 2.806 20 5 EFBDRO COCCCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272424079 266261338 /nfs/dbraw/zinc/26/13/38/266261338.db2.gz MFODJXQPGRAWOA-UHFFFAOYSA-N 1 0 348.346 2.764 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272499028 266284570 /nfs/dbraw/zinc/28/45/70/266284570.db2.gz GNCRLEXHQLTMNH-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272506214 266288277 /nfs/dbraw/zinc/28/82/77/266288277.db2.gz IAEPSSNVBNHWPU-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507661 266288816 /nfs/dbraw/zinc/28/88/16/266288816.db2.gz IHUCSHRSTIEBQL-CPUCHLNUSA-N 1 0 344.415 2.822 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272547080 266303327 /nfs/dbraw/zinc/30/33/27/266303327.db2.gz QLMOLQYCJLDMTB-PBHICJAKSA-N 1 0 345.447 2.738 20 5 EFBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570657 266310887 /nfs/dbraw/zinc/31/08/87/266310887.db2.gz VRYJFKLMCOLYFI-DGCLKSJQSA-N 1 0 333.413 2.921 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272590099 266317572 /nfs/dbraw/zinc/31/75/72/266317572.db2.gz RSYWWGBNKYAKMU-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272612607 266325848 /nfs/dbraw/zinc/32/58/48/266325848.db2.gz WXVPEKZKSDDQBF-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272682470 266349686 /nfs/dbraw/zinc/34/96/86/266349686.db2.gz VRINLMCJMWMVQM-RISCZKNCSA-N 1 0 341.358 2.722 20 5 EFBDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000272815545 266390284 /nfs/dbraw/zinc/39/02/84/266390284.db2.gz CHSFIATZWSRSNA-AWEZNQCLSA-N 1 0 333.388 2.949 20 5 EFBDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273011261 266436384 /nfs/dbraw/zinc/43/63/84/266436384.db2.gz JFVPVSWSIQYPPF-CQSZACIVSA-N 1 0 334.372 2.838 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273041657 266442071 /nfs/dbraw/zinc/44/20/71/266442071.db2.gz PBVOBXDWGWZLCA-HNNXBMFYSA-N 1 0 330.384 2.859 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000273159576 266457610 /nfs/dbraw/zinc/45/76/10/266457610.db2.gz KCISORYIDHZKRP-UHFFFAOYSA-N 1 0 348.428 2.819 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000273438407 266498900 /nfs/dbraw/zinc/49/89/00/266498900.db2.gz AQWMRMSHENZOON-HUUCEWRRSA-N 1 0 349.456 2.555 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273545224 266516559 /nfs/dbraw/zinc/51/65/59/266516559.db2.gz UNKISNZTVXEPJI-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275055061 266745515 /nfs/dbraw/zinc/74/55/15/266745515.db2.gz IWWMLFOTLUMNAT-JKSUJKDBSA-N 1 0 339.436 2.746 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000108334741 273009190 /nfs/dbraw/zinc/00/91/90/273009190.db2.gz RQRALLBCWJTCBI-CYBMUJFWSA-N 1 0 333.432 2.964 20 5 EFBDRO CCOc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826514 267056600 /nfs/dbraw/zinc/05/66/00/267056600.db2.gz ALHIECDZXKPITE-CVEARBPZSA-N 1 0 333.432 2.910 20 5 EFBDRO CCOc1cc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276899096 267072148 /nfs/dbraw/zinc/07/21/48/267072148.db2.gz LLUCUFLNBFSWCX-JSGCOSHPSA-N 1 0 336.388 2.625 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCOCC2 ZINC000276911569 267074537 /nfs/dbraw/zinc/07/45/37/267074537.db2.gz PEKWHGLYKLIPQB-DLBZAZTESA-N 1 0 334.416 2.967 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277044270 267105492 /nfs/dbraw/zinc/10/54/92/267105492.db2.gz HORLERQHKNISJB-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277111531 267116484 /nfs/dbraw/zinc/11/64/84/267116484.db2.gz QQIQZIXHGPPQNO-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000277190707 267128353 /nfs/dbraw/zinc/12/83/53/267128353.db2.gz BHJANHQHKUHMTP-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000277256245 267140648 /nfs/dbraw/zinc/14/06/48/267140648.db2.gz OKCKSRPYWVALIM-INIZCTEOSA-N 1 0 345.443 2.812 20 5 EFBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000277280660 267145770 /nfs/dbraw/zinc/14/57/70/267145770.db2.gz SFBCVVQAXUDGCR-CYBMUJFWSA-N 1 0 325.384 2.659 20 5 EFBDRO COc1ccc(CNc2cc(N3CCCC3)ncn2)cc1[N+](=O)[O-] ZINC000277300728 267150504 /nfs/dbraw/zinc/15/05/04/267150504.db2.gz CBLGQRLLNZKDDA-UHFFFAOYSA-N 1 0 329.360 2.606 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277344109 267161000 /nfs/dbraw/zinc/16/10/00/267161000.db2.gz STVCWWKPUBEJDM-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000277611509 267211730 /nfs/dbraw/zinc/21/17/30/267211730.db2.gz PXURWLPWSPMYDI-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277632139 267217505 /nfs/dbraw/zinc/21/75/05/267217505.db2.gz XGANYNLFNBHGDP-SCBHQAGPSA-N 1 0 329.400 2.741 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000277654115 267223991 /nfs/dbraw/zinc/22/39/91/267223991.db2.gz VJJZCBURLKGJRK-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277664487 267227093 /nfs/dbraw/zinc/22/70/93/267227093.db2.gz FDAODNNWXPJZGD-RISCZKNCSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCn3ccnc3)cs2)c1 ZINC000113313649 273016322 /nfs/dbraw/zinc/01/63/22/273016322.db2.gz VXFIHHQIJDXPPR-UHFFFAOYSA-N 1 0 329.385 2.705 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277692103 267235811 /nfs/dbraw/zinc/23/58/11/267235811.db2.gz ZRWFONLWSNKZNH-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277791117 267264504 /nfs/dbraw/zinc/26/45/04/267264504.db2.gz ONSHEVQDFPPECL-RISCZKNCSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277791113 267264693 /nfs/dbraw/zinc/26/46/93/267264693.db2.gz ONSHEVQDFPPECL-FZMZJTMJSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277856239 267280635 /nfs/dbraw/zinc/28/06/35/267280635.db2.gz TVUSMWFVWVMRDN-TZMCWYRMSA-N 1 0 332.322 2.773 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278141117 267351822 /nfs/dbraw/zinc/35/18/22/267351822.db2.gz VWLYIWKBTRUUJE-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO Cc1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278138877 267352640 /nfs/dbraw/zinc/35/26/40/267352640.db2.gz VRZDYEDWIZPUMC-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278255114 267381373 /nfs/dbraw/zinc/38/13/73/267381373.db2.gz VBBMVBZYJIZTAN-BSNNYGBQSA-N 1 0 333.413 2.656 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000278294696 267392821 /nfs/dbraw/zinc/39/28/21/267392821.db2.gz APWFLJJEMABUMT-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278310745 267398153 /nfs/dbraw/zinc/39/81/53/267398153.db2.gz HFXPNRCYCQJUKO-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278966918 267628502 /nfs/dbraw/zinc/62/85/02/267628502.db2.gz BJGFQXIVAKRODJ-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181520217 273044490 /nfs/dbraw/zinc/04/44/90/273044490.db2.gz IBHOGRJEPLPEIC-STQMWFEESA-N 1 0 327.384 2.976 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246164535 273074224 /nfs/dbraw/zinc/07/42/24/273074224.db2.gz FHDXWLSXEDIWIJ-DVOMOZLQSA-N 1 0 334.420 2.637 20 5 EFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000269666436 273087825 /nfs/dbraw/zinc/08/78/25/273087825.db2.gz SIMSJDPOELJBIC-MOPGFXCFSA-N 1 0 342.395 2.874 20 5 EFBDRO COCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000271108890 273098146 /nfs/dbraw/zinc/09/81/46/273098146.db2.gz BYFWRPCULVAOPJ-UHFFFAOYSA-N 1 0 348.346 2.681 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NC(C)C ZINC000271144884 273101664 /nfs/dbraw/zinc/10/16/64/273101664.db2.gz PBPXXXZWUVEGLV-ZDUSSCGKSA-N 1 0 339.461 2.970 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000272899443 273114266 /nfs/dbraw/zinc/11/42/66/273114266.db2.gz CRHNGEJSKLXLSF-KRWDZBQOSA-N 1 0 346.408 2.646 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000272899449 273114270 /nfs/dbraw/zinc/11/42/70/273114270.db2.gz CRHNGEJSKLXLSF-QGZVFWFLSA-N 1 0 346.408 2.646 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000273636417 273115783 /nfs/dbraw/zinc/11/57/83/273115783.db2.gz RGRPFUZIFHFGHE-OAHLLOKOSA-N 1 0 329.404 2.750 20 5 EFBDRO CC[NH+](CC)CCOc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273639259 273116042 /nfs/dbraw/zinc/11/60/42/273116042.db2.gz RSKRYQDHOLMKRL-UHFFFAOYSA-N 1 0 345.403 2.718 20 5 EFBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000273639196 273116069 /nfs/dbraw/zinc/11/60/69/273116069.db2.gz RPOJMAZEIWPNIW-MRXNPFEDSA-N 1 0 343.387 2.642 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273638696 273116076 /nfs/dbraw/zinc/11/60/76/273116076.db2.gz UFDQREVPNDGJAU-QQTATGOZSA-N 1 0 332.400 2.924 20 5 EFBDRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273808201 273120402 /nfs/dbraw/zinc/12/04/02/273120402.db2.gz AJNMHUJKFBCLQU-GFCCVEGCSA-N 1 0 349.406 2.612 20 5 EFBDRO CC(=O)NC1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000274187848 273124886 /nfs/dbraw/zinc/12/48/86/273124886.db2.gz HENVASORVCIAGU-UHFFFAOYSA-N 1 0 339.823 2.828 20 5 EFBDRO CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276797067 273142988 /nfs/dbraw/zinc/14/29/88/273142988.db2.gz DKRHEEJLHSOAML-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO COC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000277080232 273146206 /nfs/dbraw/zinc/14/62/06/273146206.db2.gz UFTXOTOIKRBAOS-UHFFFAOYSA-N 1 0 328.796 2.576 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277334787 273152455 /nfs/dbraw/zinc/15/24/55/273152455.db2.gz VSEXBORXMYJDHP-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC2(CO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000278996127 273164630 /nfs/dbraw/zinc/16/46/30/273164630.db2.gz FGLMSHACTREYEU-MRXNPFEDSA-N 1 0 334.416 2.696 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CCCN2CCC(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048086 273170359 /nfs/dbraw/zinc/17/03/59/273170359.db2.gz JYEGNVSKIRSVBR-SFHVURJKSA-N 1 0 347.459 2.754 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCO1 ZINC000279062043 273172141 /nfs/dbraw/zinc/17/21/41/273172141.db2.gz LQCCLZNRUIETTB-NVXWUHKLSA-N 1 0 338.404 2.666 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279079937 273174397 /nfs/dbraw/zinc/17/43/97/273174397.db2.gz MMMNNNDJBZFPKX-DYVFJYSZSA-N 1 0 333.432 2.628 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000279083260 273174729 /nfs/dbraw/zinc/17/47/29/273174729.db2.gz MWJQBTIDIATBBO-JKSUJKDBSA-N 1 0 331.416 2.916 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000279198527 273187329 /nfs/dbraw/zinc/18/73/29/273187329.db2.gz FSXIMVWPJWRZBQ-XYPHTWIQSA-N 1 0 332.400 2.911 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000279228905 273190759 /nfs/dbraw/zinc/19/07/59/273190759.db2.gz DODGXWITBBSXKX-SJCJKPOMSA-N 1 0 347.415 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3CCO)co2)cc1 ZINC000279254127 273193652 /nfs/dbraw/zinc/19/36/52/273193652.db2.gz LKZAIKIDHZRHPG-WBMJQRKESA-N 1 0 331.372 2.891 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000279573619 273229806 /nfs/dbraw/zinc/22/98/06/273229806.db2.gz TWRXSCNPTOUJRQ-CYBMUJFWSA-N 1 0 329.400 2.713 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000279766841 273251153 /nfs/dbraw/zinc/25/11/53/273251153.db2.gz SGKXSQZPXKEGPR-UHFFFAOYSA-N 1 0 349.456 2.701 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279782216 273252751 /nfs/dbraw/zinc/25/27/51/273252751.db2.gz NSGYEQSVAHYVNO-CABCVRRESA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280099957 273290697 /nfs/dbraw/zinc/29/06/97/273290697.db2.gz AWUOTBQILZSALE-FZKQIMNGSA-N 1 0 343.383 2.836 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)o1 ZINC000280150551 273296306 /nfs/dbraw/zinc/29/63/06/273296306.db2.gz AHEQVTRBULHHNX-ZIAGYGMSSA-N 1 0 346.383 2.589 20 5 EFBDRO O=C(c1cc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000280227297 273304435 /nfs/dbraw/zinc/30/44/35/273304435.db2.gz LJQQIFAZHBALIQ-UHFFFAOYSA-N 1 0 344.415 2.505 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237655 273305660 /nfs/dbraw/zinc/30/56/60/273305660.db2.gz AUCHSLGOBKDZEI-GUYCJALGSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c(C)c1 ZINC000280298587 273312831 /nfs/dbraw/zinc/31/28/31/273312831.db2.gz FNMXMNKQGZNQFY-INIZCTEOSA-N 1 0 341.411 2.863 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340488 273317491 /nfs/dbraw/zinc/31/74/91/273317491.db2.gz IGMMAEULZIJLST-DYVFJYSZSA-N 1 0 335.404 2.813 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000280340494 273317595 /nfs/dbraw/zinc/31/75/95/273317595.db2.gz IGMMAEULZIJLST-SUMWQHHRSA-N 1 0 335.404 2.813 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000280388007 273322841 /nfs/dbraw/zinc/32/28/41/273322841.db2.gz KDVBTCPLPBGRSF-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000280604885 273346069 /nfs/dbraw/zinc/34/60/69/273346069.db2.gz OITDCCKTFNAGJW-NTZNESFSSA-N 1 0 346.387 2.539 20 5 EFBDRO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000280733574 273360969 /nfs/dbraw/zinc/36/09/69/273360969.db2.gz VNTYZPPCHAALQV-SECBINFHSA-N 1 0 343.786 2.529 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000280865504 273375289 /nfs/dbraw/zinc/37/52/89/273375289.db2.gz CMSQZESNNJDPDP-QAPCUYQASA-N 1 0 345.443 2.764 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280884549 273377637 /nfs/dbraw/zinc/37/76/37/273377637.db2.gz BDHTVOAEHOVVKL-SFDCACGMSA-N 1 0 340.445 2.945 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000281032554 273393671 /nfs/dbraw/zinc/39/36/71/273393671.db2.gz VNIJEXPJGBYPLW-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281045843 273394912 /nfs/dbraw/zinc/39/49/12/273394912.db2.gz HGYIPOLBGXKPKG-SFHVURJKSA-N 1 0 343.383 2.813 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCCC1 ZINC000281218105 273412235 /nfs/dbraw/zinc/41/22/35/273412235.db2.gz CUSOYRFZVWHUBH-ZDUSSCGKSA-N 1 0 343.383 2.955 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281236520 273414310 /nfs/dbraw/zinc/41/43/10/273414310.db2.gz VAOJZOHUQREJLC-HNNXBMFYSA-N 1 0 338.429 2.529 20 5 EFBDRO CCC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281318414 273423090 /nfs/dbraw/zinc/42/30/90/273423090.db2.gz ZRLDYLTUGLLALU-OAHLLOKOSA-N 1 0 340.445 2.993 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000281616849 273452578 /nfs/dbraw/zinc/45/25/78/273452578.db2.gz FMDOMXOBXIOVEL-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281807977 273471393 /nfs/dbraw/zinc/47/13/93/273471393.db2.gz YTVKGVXPCDBRFE-HUUCEWRRSA-N 1 0 329.404 2.811 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282233171 273532811 /nfs/dbraw/zinc/53/28/11/273532811.db2.gz ZMLCXCGORVMVSS-INIZCTEOSA-N 1 0 347.415 2.862 20 5 EFBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000282319847 273545566 /nfs/dbraw/zinc/54/55/66/273545566.db2.gz ZIMCTZXQISVWLB-UHFFFAOYSA-N 1 0 326.400 2.688 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282471900 273567698 /nfs/dbraw/zinc/56/76/98/273567698.db2.gz KSNZEIMNUDDILG-YOEHRIQHSA-N 1 0 348.378 2.704 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282544242 273578389 /nfs/dbraw/zinc/57/83/89/273578389.db2.gz WKMWHNZNXBXAKB-UHFFFAOYSA-N 1 0 343.811 2.718 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000282752046 273611368 /nfs/dbraw/zinc/61/13/68/273611368.db2.gz KEEJGFQAQDAFKP-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO COCCn1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000282825797 273624298 /nfs/dbraw/zinc/62/42/98/273624298.db2.gz RZYIGGWCXGDKIU-QGZVFWFLSA-N 1 0 344.415 2.549 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000283501960 273723373 /nfs/dbraw/zinc/72/33/73/273723373.db2.gz PAWLZPVVDVQXCB-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000283811657 273762906 /nfs/dbraw/zinc/76/29/06/273762906.db2.gz CGLKGQHNNZFDFW-CQSZACIVSA-N 1 0 349.406 2.846 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000283984916 273782760 /nfs/dbraw/zinc/78/27/60/273782760.db2.gz HCOMBOVUSLAOAQ-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000419011949 273790496 /nfs/dbraw/zinc/79/04/96/273790496.db2.gz UOCGSOPTNVSEIQ-UHFFFAOYSA-N 1 0 330.363 2.724 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457197983 273794010 /nfs/dbraw/zinc/79/40/10/273794010.db2.gz AWKQRGIURGGXRF-UHFFFAOYSA-N 1 0 348.428 2.788 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000067205881 273820259 /nfs/dbraw/zinc/82/02/59/273820259.db2.gz XXUZFABRYIGZEM-LBPRGKRZSA-N 1 0 331.397 2.789 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176242872 273832172 /nfs/dbraw/zinc/83/21/72/273832172.db2.gz AUWHJKMIVOXEQP-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285115376 273944436 /nfs/dbraw/zinc/94/44/36/273944436.db2.gz KXUGRRZOLCAUEO-LLVKDONJSA-N 1 0 337.811 2.796 20 5 EFBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000285421948 273996375 /nfs/dbraw/zinc/99/63/75/273996375.db2.gz DRZBNPIKAVRQGC-QGZVFWFLSA-N 1 0 335.404 2.781 20 5 EFBDRO COC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000361555773 274013762 /nfs/dbraw/zinc/01/37/62/274013762.db2.gz ZVXSLGNQUXIYFK-CQSZACIVSA-N 1 0 334.420 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCCF)CC3)nc2c1 ZINC000285585338 274031312 /nfs/dbraw/zinc/03/13/12/274031312.db2.gz KLRRMRIGHLDISC-UHFFFAOYSA-N 1 0 335.383 2.733 20 5 EFBDRO Cc1noc([C@@H]2CCCCN2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000285604473 274035892 /nfs/dbraw/zinc/03/58/92/274035892.db2.gz JYVWFFVAXBINJF-HNNXBMFYSA-N 1 0 332.360 2.892 20 5 EFBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000285605691 274036120 /nfs/dbraw/zinc/03/61/20/274036120.db2.gz PVKICWALOJJLHM-HNNXBMFYSA-N 1 0 341.795 2.736 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285605979 274036159 /nfs/dbraw/zinc/03/61/59/274036159.db2.gz JOKOOUCFSGDYMU-QYJAPNMZSA-N 1 0 336.367 2.823 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285614529 274038281 /nfs/dbraw/zinc/03/82/81/274038281.db2.gz QFSWKJWHZWAWHC-IUODEOHRSA-N 1 0 334.376 2.562 20 5 EFBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285617826 274038828 /nfs/dbraw/zinc/03/88/28/274038828.db2.gz WGUSRGAGMZTARD-MNOVXSKESA-N 1 0 330.331 2.958 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245537286 274040382 /nfs/dbraw/zinc/04/03/82/274040382.db2.gz ITQBBZNBRXWVNV-LESCRADOSA-N 1 0 336.432 2.683 20 5 EFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000285671017 274049762 /nfs/dbraw/zinc/04/97/62/274049762.db2.gz UGROHSXHFNHFMI-GXTWGEPZSA-N 1 0 337.395 2.801 20 5 EFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000285696531 274055469 /nfs/dbraw/zinc/05/54/69/274055469.db2.gz HIGQKNKUGWUFMW-OAHLLOKOSA-N 1 0 343.387 2.817 20 5 EFBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417388036 274061151 /nfs/dbraw/zinc/06/11/51/274061151.db2.gz ZGCHCTDFFBMOKA-XJKSGUPXSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285725128 274061650 /nfs/dbraw/zinc/06/16/50/274061650.db2.gz XDOUPFGFYVUCOV-YPMHNXCESA-N 1 0 325.359 2.932 20 5 EFBDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000285756357 274067901 /nfs/dbraw/zinc/06/79/01/274067901.db2.gz SJFXUMKPEOQMTJ-HNNXBMFYSA-N 1 0 340.445 2.993 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000285793134 274076082 /nfs/dbraw/zinc/07/60/82/274076082.db2.gz VIUCWKSHCZPVRX-ZDUSSCGKSA-N 1 0 340.445 2.911 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000285856185 274087977 /nfs/dbraw/zinc/08/79/77/274087977.db2.gz PTUKWKVHUKQBPA-UHFFFAOYSA-N 1 0 337.401 2.843 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000285985159 274112266 /nfs/dbraw/zinc/11/22/66/274112266.db2.gz XKQAOISHKHXRNW-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000368463385 274118697 /nfs/dbraw/zinc/11/86/97/274118697.db2.gz ZNLIMDQLWBTRRO-GOSISDBHSA-N 1 0 346.358 2.836 20 5 EFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000286056779 274124839 /nfs/dbraw/zinc/12/48/39/274124839.db2.gz IZRZROODOGCRIJ-HNNXBMFYSA-N 1 0 341.383 2.713 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000286089218 274131373 /nfs/dbraw/zinc/13/13/73/274131373.db2.gz NCQLIYXVFOCWBJ-JUFZMCDQSA-N 1 0 337.445 2.578 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286103798 274134278 /nfs/dbraw/zinc/13/42/78/274134278.db2.gz UDBGGDMSZZBYKH-GJZGRUSLSA-N 1 0 349.431 2.939 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000286144399 274142176 /nfs/dbraw/zinc/14/21/76/274142176.db2.gz VQVHGFRAXOSANQ-YQQAZPJKSA-N 1 0 333.432 2.759 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000286170263 274146644 /nfs/dbraw/zinc/14/66/44/274146644.db2.gz KDZINLLSSYDSDZ-GOEBONIOSA-N 1 0 337.395 2.914 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286190538 274150831 /nfs/dbraw/zinc/15/08/31/274150831.db2.gz PQCVAUCXEJOZAC-LSDHHAIUSA-N 1 0 337.445 2.821 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286193411 274151222 /nfs/dbraw/zinc/15/12/22/274151222.db2.gz PSUUYOGNODAYRQ-GDBMZVCRSA-N 1 0 349.456 2.748 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286333982 274180265 /nfs/dbraw/zinc/18/02/65/274180265.db2.gz LQXJXZVTRRWWLF-TZMCWYRMSA-N 1 0 344.415 2.543 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000286380120 274188993 /nfs/dbraw/zinc/18/89/93/274188993.db2.gz YFOITEHGSGOBAU-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000286412894 274195934 /nfs/dbraw/zinc/19/59/34/274195934.db2.gz AWNMZNSHTMPEID-LLVKDONJSA-N 1 0 333.417 2.664 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183626418 274212973 /nfs/dbraw/zinc/21/29/73/274212973.db2.gz VMDVPTPMQGIKMY-ZDUSSCGKSA-N 1 0 343.387 2.632 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178490572 274217327 /nfs/dbraw/zinc/21/73/27/274217327.db2.gz ZQTLNLDZLGAGOO-XJKSGUPXSA-N 1 0 331.416 2.516 20 5 EFBDRO C[N@@H+]1CCN(CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000286624250 274238075 /nfs/dbraw/zinc/23/80/75/274238075.db2.gz YZJZIHGVMBMIJS-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286671873 274247800 /nfs/dbraw/zinc/24/78/00/274247800.db2.gz KRNWKACZWYOZOU-INIZCTEOSA-N 1 0 348.447 2.653 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000286800564 274275678 /nfs/dbraw/zinc/27/56/78/274275678.db2.gz KMFWPNCXKWBSSA-IAGOWNOFSA-N 1 0 349.456 2.813 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000286926257 274302274 /nfs/dbraw/zinc/30/22/74/274302274.db2.gz LDSZADVGJUBYOT-OCCSQVGLSA-N 1 0 348.403 2.694 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cnccc1OC ZINC000286928141 274302843 /nfs/dbraw/zinc/30/28/43/274302843.db2.gz MMKSXIREZRKTKC-UHFFFAOYSA-N 1 0 332.312 2.754 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000286931218 274303603 /nfs/dbraw/zinc/30/36/03/274303603.db2.gz LFMWDTQBVHOUCB-CQSZACIVSA-N 1 0 344.358 2.844 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286940602 274305599 /nfs/dbraw/zinc/30/55/99/274305599.db2.gz NVIOMUVWEXAZDB-IUODEOHRSA-N 1 0 334.376 2.562 20 5 EFBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000286969621 274311952 /nfs/dbraw/zinc/31/19/52/274311952.db2.gz NXLLRIDRWJCAPH-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287000911 274319353 /nfs/dbraw/zinc/31/93/53/274319353.db2.gz HJGFTYULMNGEPV-BXUZGUMPSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000287019560 274323488 /nfs/dbraw/zinc/32/34/88/274323488.db2.gz IERZLYSKMPBSBO-BLLLJJGKSA-N 1 0 343.387 2.803 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000287177455 274361059 /nfs/dbraw/zinc/36/10/59/274361059.db2.gz CGYPYDAGANRTLE-GFCCVEGCSA-N 1 0 337.807 2.693 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000287241297 274376232 /nfs/dbraw/zinc/37/62/32/274376232.db2.gz JMUMDQQCQAIGBW-UHFFFAOYSA-N 1 0 341.358 2.821 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287244600 274376777 /nfs/dbraw/zinc/37/67/77/274376777.db2.gz RFGQAMFZOKDMPZ-CJNGLKHVSA-N 1 0 349.456 2.772 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287332712 274396595 /nfs/dbraw/zinc/39/65/95/274396595.db2.gz OKMRJPZVIJUYTL-AWEZNQCLSA-N 1 0 347.415 2.710 20 5 EFBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCCO ZINC000287431146 274418877 /nfs/dbraw/zinc/41/88/77/274418877.db2.gz SXLOIGQIBBOFSV-GDBMZVCRSA-N 1 0 336.432 2.683 20 5 EFBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCCO ZINC000287431156 274418884 /nfs/dbraw/zinc/41/88/84/274418884.db2.gz SXLOIGQIBBOFSV-ZBFHGGJFSA-N 1 0 336.432 2.683 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287462379 274425618 /nfs/dbraw/zinc/42/56/18/274425618.db2.gz HBUJKTUNNJBDAE-SWLSCSKDSA-N 1 0 348.403 2.694 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287511790 274436163 /nfs/dbraw/zinc/43/61/63/274436163.db2.gz JVRVVNVNBVCDOQ-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000287980863 274512011 /nfs/dbraw/zinc/51/20/11/274512011.db2.gz RIBNVSOZIKANRK-UHFFFAOYSA-N 1 0 347.415 2.854 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000288335137 274572415 /nfs/dbraw/zinc/57/24/15/274572415.db2.gz VTVKLYOXSXWELD-UHFFFAOYSA-N 1 0 330.388 2.932 20 5 EFBDRO CCCC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000288408506 274587161 /nfs/dbraw/zinc/58/71/61/274587161.db2.gz LPCMXUGCAUTHNP-UHFFFAOYSA-N 1 0 345.403 2.920 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288582857 274623313 /nfs/dbraw/zinc/62/33/13/274623313.db2.gz XNUFRDUVDSQIQN-RYUDHWBXSA-N 1 0 337.807 2.947 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000289290097 274735898 /nfs/dbraw/zinc/73/58/98/274735898.db2.gz HAXQTZQSECBZLH-CVEARBPZSA-N 1 0 347.415 2.521 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289331831 274742633 /nfs/dbraw/zinc/74/26/33/274742633.db2.gz VSUXXMIIVFKPBY-INIZCTEOSA-N 1 0 335.429 2.532 20 5 EFBDRO COCCOc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289771026 274819467 /nfs/dbraw/zinc/81/94/67/274819467.db2.gz KNBFHTVSHLYMAY-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c(Cl)c1 ZINC000261949917 275035290 /nfs/dbraw/zinc/03/52/90/275035290.db2.gz FVMWHGAGHFQCGX-MRXNPFEDSA-N 1 0 332.791 2.790 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2Cc3ccccc3O2)n1 ZINC000351525491 275040480 /nfs/dbraw/zinc/04/04/80/275040480.db2.gz SVTWJGRNDIFDGP-ARFHVFGLSA-N 1 0 342.399 2.868 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000375935467 275535228 /nfs/dbraw/zinc/53/52/28/275535228.db2.gz VVYFUPAWVULBIA-IUODEOHRSA-N 1 0 331.416 2.716 20 5 EFBDRO CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000362968814 275670700 /nfs/dbraw/zinc/67/07/00/275670700.db2.gz DHRUPZWHZNKVEE-MRXNPFEDSA-N 1 0 348.447 2.663 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185053784 275846430 /nfs/dbraw/zinc/84/64/30/275846430.db2.gz UZISQNDBTTVGGQ-UMVBOHGHSA-N 1 0 331.416 2.702 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447575861 276023863 /nfs/dbraw/zinc/02/38/63/276023863.db2.gz VGRVMFDFCAZSIF-YCPHGPKFSA-N 1 0 336.436 2.662 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000345444052 276124550 /nfs/dbraw/zinc/12/45/50/276124550.db2.gz CTQOGCNKJRXCOO-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177350652 276234087 /nfs/dbraw/zinc/23/40/87/276234087.db2.gz SERHBKSBUUZEIH-CVEARBPZSA-N 1 0 347.415 2.520 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000358910358 276270355 /nfs/dbraw/zinc/27/03/55/276270355.db2.gz BVWZFHCQPPHLOR-ZIAGYGMSSA-N 1 0 348.447 2.559 20 5 EFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000354022298 276305499 /nfs/dbraw/zinc/30/54/99/276305499.db2.gz MYJKFEWOFKVBFS-CQSZACIVSA-N 1 0 348.447 2.513 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237039983 276419951 /nfs/dbraw/zinc/41/99/51/276419951.db2.gz YIOIYGNAVYVCMD-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000449238509 276480940 /nfs/dbraw/zinc/48/09/40/276480940.db2.gz RPYDRKORHSNHSO-RUGDWHBFSA-N 1 0 334.416 2.842 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000195333943 276722421 /nfs/dbraw/zinc/72/24/21/276722421.db2.gz VVSKZKVRKJCYML-CYBMUJFWSA-N 1 0 333.392 2.962 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188070852 276751923 /nfs/dbraw/zinc/75/19/23/276751923.db2.gz DRUSINZFNMKXAB-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413065271 276783234 /nfs/dbraw/zinc/78/32/34/276783234.db2.gz UPVDZYNNFNHBLF-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370504076 276805937 /nfs/dbraw/zinc/80/59/37/276805937.db2.gz CEWFTTCDJUFKSJ-LBPRGKRZSA-N 1 0 347.396 2.626 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000183630184 276860353 /nfs/dbraw/zinc/86/03/53/276860353.db2.gz GFAMAYVUZILXFA-CQSZACIVSA-N 1 0 347.350 2.553 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000343974257 277017981 /nfs/dbraw/zinc/01/79/81/277017981.db2.gz FUNOYRKSIQFONM-SDNTUTLCSA-N 1 0 331.416 2.892 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269120882 277181474 /nfs/dbraw/zinc/18/14/74/277181474.db2.gz SROKVPIQTJFCMU-WFASDCNBSA-N 1 0 343.383 2.897 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000119171700 277182590 /nfs/dbraw/zinc/18/25/90/277182590.db2.gz GEUIUSQJXSJESX-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919210 277379904 /nfs/dbraw/zinc/37/99/04/277379904.db2.gz GUUNOLLVZCJSMQ-UHFFFAOYSA-N 1 0 332.404 2.736 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1sccc1C[NH+](C)C ZINC000268158422 277939586 /nfs/dbraw/zinc/93/95/86/277939586.db2.gz SPLIIXLGNQMITJ-UHFFFAOYSA-N 1 0 349.412 2.657 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000262120484 278036091 /nfs/dbraw/zinc/03/60/91/278036091.db2.gz XGJLBCLBBLKMHJ-QGZVFWFLSA-N 1 0 343.431 2.598 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000363667988 278171586 /nfs/dbraw/zinc/17/15/86/278171586.db2.gz ATGNIDJKDPQESF-AVGNSLFASA-N 1 0 335.429 2.516 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457068712 278174914 /nfs/dbraw/zinc/17/49/14/278174914.db2.gz DZVZIIAKGVVISQ-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000264150722 278174926 /nfs/dbraw/zinc/17/49/26/278174926.db2.gz HJJLFXWISXEPLW-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000449003156 278220718 /nfs/dbraw/zinc/22/07/18/278220718.db2.gz OXPOVAYGVGTKHZ-CYBMUJFWSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[NH2+]C1 ZINC000269181449 278330438 /nfs/dbraw/zinc/33/04/38/278330438.db2.gz IDRNTZIZKFHSGG-MNOVXSKESA-N 1 0 333.413 2.927 20 5 EFBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447545820 278374911 /nfs/dbraw/zinc/37/49/11/278374911.db2.gz YGAUSOJBKJNDQH-QWHCGFSZSA-N 1 0 338.408 2.596 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247553225 288079087 /nfs/dbraw/zinc/07/90/87/288079087.db2.gz YXSOEODJVIRDTO-ZWNOBZJWSA-N 1 0 325.796 2.660 20 5 EFBDRO CCC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165116930 278872787 /nfs/dbraw/zinc/87/27/87/278872787.db2.gz IASOIOUHPFBSTR-DLBZAZTESA-N 1 0 349.431 2.663 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000351509285 288101700 /nfs/dbraw/zinc/10/17/00/288101700.db2.gz LDZMHXRQDQGRLI-VHSXEESVSA-N 1 0 328.210 2.886 20 5 EFBDRO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000181592731 279211090 /nfs/dbraw/zinc/21/10/90/279211090.db2.gz BTFKQELLGSAJNG-ZDUSSCGKSA-N 1 0 328.434 2.735 20 5 EFBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422850421 279654356 /nfs/dbraw/zinc/65/43/56/279654356.db2.gz DESRXXMVCCPSGX-MWLCHTKSSA-N 1 0 343.836 2.584 20 5 EFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCCO2 ZINC000181974131 279906097 /nfs/dbraw/zinc/90/60/97/279906097.db2.gz AGVCSMUWPGGOEA-QGZVFWFLSA-N 1 0 346.387 2.549 20 5 EFBDRO Cc1c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374305932 280219638 /nfs/dbraw/zinc/21/96/38/280219638.db2.gz BCQFQCZIDYWSLB-IRXDYDNUSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1c(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245984355 280224354 /nfs/dbraw/zinc/22/43/54/280224354.db2.gz ZIEKJFDSHZWZNK-KGLIPLIRSA-N 1 0 333.432 2.682 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000420186895 280362653 /nfs/dbraw/zinc/36/26/53/280362653.db2.gz CTZVMJCJUDUVAE-CQSZACIVSA-N 1 0 326.400 2.880 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2CCOCC2)CC1 ZINC000182822054 281019473 /nfs/dbraw/zinc/01/94/73/281019473.db2.gz LGVFFBOZTMIEKU-OAHLLOKOSA-N 1 0 333.432 2.761 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H](CO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000360882007 281359910 /nfs/dbraw/zinc/35/99/10/281359910.db2.gz BSKFGVAQNCQFQI-DLBZAZTESA-N 1 0 334.416 2.694 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449212450 281395399 /nfs/dbraw/zinc/39/53/99/281395399.db2.gz SOMJXZZIFUYHEB-HOTGVXAUSA-N 1 0 331.416 2.619 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000352514654 282070599 /nfs/dbraw/zinc/07/05/99/282070599.db2.gz LDLFJXWNNYNAEL-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000185471349 282071457 /nfs/dbraw/zinc/07/14/57/282071457.db2.gz BIWFMJPFZSAGJF-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449585454 289788667 /nfs/dbraw/zinc/78/86/67/289788667.db2.gz FDABNZFNCJEWQX-STQMWFEESA-N 1 0 342.399 2.672 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000366836246 289901795 /nfs/dbraw/zinc/90/17/95/289901795.db2.gz PSZUYARGZPLXTH-UHFFFAOYSA-N 1 0 330.432 2.875 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000079380325 292787067 /nfs/dbraw/zinc/78/70/67/292787067.db2.gz CBCGGFOHXMZTPV-UHFFFAOYSA-N 1 0 335.385 2.849 20 5 EFBDRO Cc1c(CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000126175199 293030342 /nfs/dbraw/zinc/03/03/42/293030342.db2.gz OTKXXWCLSWOWOC-KRWDZBQOSA-N 1 0 345.443 2.826 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126597867 293044537 /nfs/dbraw/zinc/04/45/37/293044537.db2.gz VFSVMCVVMFTBNX-NSHDSACASA-N 1 0 326.784 2.854 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000126656905 293046429 /nfs/dbraw/zinc/04/64/29/293046429.db2.gz UHBCYQBUFAABOM-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000128855061 293117237 /nfs/dbraw/zinc/11/72/37/293117237.db2.gz GNZTUZKNIKJDKL-ZDUSSCGKSA-N 1 0 343.383 2.618 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000128907879 293118675 /nfs/dbraw/zinc/11/86/75/293118675.db2.gz NXYWITZBSPUCKT-CHWSQXEVSA-N 1 0 346.412 2.718 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000129937450 293148799 /nfs/dbraw/zinc/14/87/99/293148799.db2.gz UKWWFAPTPQJQGD-DHZHZOJOSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000130166666 293156037 /nfs/dbraw/zinc/15/60/37/293156037.db2.gz RDWRZCKCWZRJAZ-QGZVFWFLSA-N 1 0 348.447 2.557 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COCc2ccco2)C2CC2)cc1 ZINC000130897453 293181479 /nfs/dbraw/zinc/18/14/79/293181479.db2.gz RIABZKMAZVXPAE-KRWDZBQOSA-N 1 0 346.383 2.730 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000133288417 293252736 /nfs/dbraw/zinc/25/27/36/293252736.db2.gz IBOJHNQKKBKZSZ-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158927757 293589120 /nfs/dbraw/zinc/58/91/20/293589120.db2.gz RAYJMHMBQSJONX-DOTOQJQBSA-N 1 0 335.448 2.647 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255057739 293837761 /nfs/dbraw/zinc/83/77/61/293837761.db2.gz YEOOABIUAPVDOD-HJWRWDBZSA-N 1 0 343.383 2.791 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255558522 293867838 /nfs/dbraw/zinc/86/78/38/293867838.db2.gz WDBVCSQTPLEVSG-FLIBITNWSA-N 1 0 339.395 2.986 20 5 EFBDRO COCCOCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000290115218 294002929 /nfs/dbraw/zinc/00/29/29/294002929.db2.gz INZLBEYNDWKCQI-UHFFFAOYSA-N 1 0 334.372 2.950 20 5 EFBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290190437 294022337 /nfs/dbraw/zinc/02/23/37/294022337.db2.gz FYIVPYRDNNQRBN-HNNXBMFYSA-N 1 0 340.445 2.730 20 5 EFBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290190439 294022650 /nfs/dbraw/zinc/02/26/50/294022650.db2.gz FYIVPYRDNNQRBN-OAHLLOKOSA-N 1 0 340.445 2.730 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290195623 294023628 /nfs/dbraw/zinc/02/36/28/294023628.db2.gz QVPCMZIUCPGYBC-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO Nc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1[N+](=O)[O-] ZINC000290212092 294028243 /nfs/dbraw/zinc/02/82/43/294028243.db2.gz OSOBHYCFEQBKID-UHFFFAOYSA-N 1 0 329.360 2.569 20 5 EFBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OC ZINC000290844433 294201515 /nfs/dbraw/zinc/20/15/15/294201515.db2.gz IPCMGZRPLHIFGT-NSHDSACASA-N 1 0 348.346 2.762 20 5 EFBDRO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000290920381 294220643 /nfs/dbraw/zinc/22/06/43/294220643.db2.gz IFQKSFFSSLQBDH-YVEFUNNKSA-N 1 0 342.399 2.797 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000290925973 294222260 /nfs/dbraw/zinc/22/22/60/294222260.db2.gz RDRHFOICTUKWMQ-CYBMUJFWSA-N 1 0 349.214 2.779 20 5 EFBDRO CO[C@@](C)(C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291173243 294299233 /nfs/dbraw/zinc/29/92/33/294299233.db2.gz KBCNBQSRZJIEHW-PXAZEXFGSA-N 1 0 335.404 2.717 20 5 EFBDRO CO[C@](C)(C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291173251 294299270 /nfs/dbraw/zinc/29/92/70/294299270.db2.gz KBCNBQSRZJIEHW-YVEFUNNKSA-N 1 0 335.404 2.717 20 5 EFBDRO CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291199654 294307880 /nfs/dbraw/zinc/30/78/80/294307880.db2.gz JSDKDFJTDJZYPH-JTQLQIEISA-N 1 0 329.784 2.544 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377655463 294458913 /nfs/dbraw/zinc/45/89/13/294458913.db2.gz QCOTVECKRKSQNY-MRXNPFEDSA-N 1 0 342.399 2.512 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000292536951 294713963 /nfs/dbraw/zinc/71/39/63/294713963.db2.gz QJUWBDTWTYSSDR-UHFFFAOYSA-N 1 0 339.823 2.797 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292784326 294785138 /nfs/dbraw/zinc/78/51/38/294785138.db2.gz UMTAYHZDZLDQGG-LLVKDONJSA-N 1 0 327.812 2.890 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000292999960 294849305 /nfs/dbraw/zinc/84/93/05/294849305.db2.gz MZKCAKAXCINKES-UHFFFAOYSA-N 1 0 336.388 2.723 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000293014182 294853580 /nfs/dbraw/zinc/85/35/80/294853580.db2.gz KBJNUYOKYGPRRF-OAHLLOKOSA-N 1 0 346.387 2.532 20 5 EFBDRO Cc1c(CC(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000293794102 295051174 /nfs/dbraw/zinc/05/11/74/295051174.db2.gz ARYXJBWECOYQAJ-UHFFFAOYSA-N 1 0 333.432 2.828 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293866278 295067169 /nfs/dbraw/zinc/06/71/69/295067169.db2.gz SGXYGNJFMWSOHC-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293913847 295078164 /nfs/dbraw/zinc/07/81/64/295078164.db2.gz WZYSZGBQVDXBNC-UKRRQHHQSA-N 1 0 345.399 2.576 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975522 295091164 /nfs/dbraw/zinc/09/11/64/295091164.db2.gz AZYBUJSVVPJPHD-MNOVXSKESA-N 1 0 338.408 2.741 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294059493 295104614 /nfs/dbraw/zinc/10/46/14/295104614.db2.gz UXGJKVRWCBZJLO-XQQFMLRXSA-N 1 0 337.445 2.626 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000294215263 295129106 /nfs/dbraw/zinc/12/91/06/295129106.db2.gz QTQCZRMTUQDEAS-LKGOPFMKSA-N 1 0 329.400 2.552 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294324611 295147588 /nfs/dbraw/zinc/14/75/88/295147588.db2.gz XEIKCOPDEYEYAA-KRZKXXONSA-N 1 0 329.400 2.552 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294363946 295154290 /nfs/dbraw/zinc/15/42/90/295154290.db2.gz ZBKHERXLBYSZDZ-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294671310 295204595 /nfs/dbraw/zinc/20/45/95/295204595.db2.gz APDNXNBPLZCXBK-FICVDOATSA-N 1 0 333.388 2.550 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)NC(=O)CO2 ZINC000294699611 295210605 /nfs/dbraw/zinc/21/06/05/295210605.db2.gz OASADPMXPSUPHD-UHFFFAOYSA-N 1 0 341.367 2.600 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294708746 295212391 /nfs/dbraw/zinc/21/23/91/295212391.db2.gz VWDBATCYNXTKAY-UHFFFAOYSA-N 1 0 347.415 2.500 20 5 EFBDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757392 295221977 /nfs/dbraw/zinc/22/19/77/295221977.db2.gz MHYSDNHHMAEDCI-JTQLQIEISA-N 1 0 336.779 2.955 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294773862 295225253 /nfs/dbraw/zinc/22/52/53/295225253.db2.gz CAODRLUOQQAKKJ-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294792860 295228536 /nfs/dbraw/zinc/22/85/36/295228536.db2.gz BMIUDUIARORULF-INIZCTEOSA-N 1 0 347.415 2.500 20 5 EFBDRO C[C@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000294819189 295232647 /nfs/dbraw/zinc/23/26/47/295232647.db2.gz CPBLIZKLTHWMJG-OAHLLOKOSA-N 1 0 335.448 2.849 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000294870360 295239164 /nfs/dbraw/zinc/23/91/64/295239164.db2.gz PEYWDIZMMQMMQV-OLZOCXBDSA-N 1 0 345.403 2.879 20 5 EFBDRO CC(C)C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000294877761 295240171 /nfs/dbraw/zinc/24/01/71/295240171.db2.gz DDHXDVXLJRPEJZ-MRXNPFEDSA-N 1 0 349.431 2.650 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000294877755 295240190 /nfs/dbraw/zinc/24/01/90/295240190.db2.gz DDHXDVXLJRPEJZ-INIZCTEOSA-N 1 0 349.431 2.650 20 5 EFBDRO CN(C)C(=O)O[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294898962 295242796 /nfs/dbraw/zinc/24/27/96/295242796.db2.gz XBVRKOQIUQEKPV-LBPRGKRZSA-N 1 0 341.795 2.911 20 5 EFBDRO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294987964 295254471 /nfs/dbraw/zinc/25/44/71/295254471.db2.gz QFGOMBTWJYJLBW-SNVBAGLBSA-N 1 0 344.337 2.929 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000069490962 295254760 /nfs/dbraw/zinc/25/47/60/295254760.db2.gz OHXZQXPJZGKUDX-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000295055952 295262517 /nfs/dbraw/zinc/26/25/17/295262517.db2.gz GXEVNNVSRFVAHK-QWRGUYRKSA-N 1 0 337.807 2.912 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C[NH+](C)C)C1 ZINC000295099516 295267986 /nfs/dbraw/zinc/26/79/86/295267986.db2.gz TYHHKFUDCQZBPN-GFCCVEGCSA-N 1 0 330.388 2.540 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[C@@H](CO)C3)cs2)c1 ZINC000295124351 295271148 /nfs/dbraw/zinc/27/11/48/295271148.db2.gz XDMHQHLVIBDULJ-YPMHNXCESA-N 1 0 333.413 2.969 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295126411 295271536 /nfs/dbraw/zinc/27/15/36/295271536.db2.gz NZHSQAVDVVKJCZ-QGZVFWFLSA-N 1 0 348.374 2.826 20 5 EFBDRO CCOc1cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000295151562 295275346 /nfs/dbraw/zinc/27/53/46/295275346.db2.gz NPAUMMLPEKIIMA-UHFFFAOYSA-N 1 0 349.431 2.874 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cnc2c(Cl)cnn2c1 ZINC000295170329 295277648 /nfs/dbraw/zinc/27/76/48/295277648.db2.gz UFCZFRGYBJWUKF-UHFFFAOYSA-N 1 0 345.790 2.932 20 5 EFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295204285 295281861 /nfs/dbraw/zinc/28/18/61/295281861.db2.gz KQXOASYMPBMXBO-NFAWXSAZSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC(C)(C)CO ZINC000295211375 295282976 /nfs/dbraw/zinc/28/29/76/295282976.db2.gz MFFJAZBRNSQVMF-NSHDSACASA-N 1 0 334.376 2.656 20 5 EFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295474253 295326633 /nfs/dbraw/zinc/32/66/33/295326633.db2.gz MDRXIGLZZIJLNB-CQSZACIVSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295484873 295328389 /nfs/dbraw/zinc/32/83/89/295328389.db2.gz ZLDKAIGERYPISP-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cccc1[N+](=O)[O-] ZINC000295575335 295343680 /nfs/dbraw/zinc/34/36/80/295343680.db2.gz LQBVMYFAKSKIHV-GOEBONIOSA-N 1 0 339.395 2.684 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295622322 295350666 /nfs/dbraw/zinc/35/06/66/295350666.db2.gz ONAMAASMAAINQS-CYBMUJFWSA-N 1 0 349.431 2.717 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295646520 295354404 /nfs/dbraw/zinc/35/44/04/295354404.db2.gz IMDKCGBDPZAXSM-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CC2)C1 ZINC000295849713 295385616 /nfs/dbraw/zinc/38/56/16/295385616.db2.gz BYQGZSPBSBHFNT-GFCCVEGCSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CC2)C1 ZINC000295849717 295385765 /nfs/dbraw/zinc/38/57/65/295385765.db2.gz BYQGZSPBSBHFNT-LBPRGKRZSA-N 1 0 330.388 2.652 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295912706 295395877 /nfs/dbraw/zinc/39/58/77/295395877.db2.gz DVOFKJULHFFQNH-KBPBESRZSA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000295928726 295398246 /nfs/dbraw/zinc/39/82/46/295398246.db2.gz KCOHEMPGRQRRQA-UHFFFAOYSA-N 1 0 325.796 2.771 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296054508 295418047 /nfs/dbraw/zinc/41/80/47/295418047.db2.gz BYGYXZBRPIFKFW-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296135633 295429960 /nfs/dbraw/zinc/42/99/60/295429960.db2.gz JHZXSKHVBNDMFG-KBRIMQKVSA-N 1 0 347.415 2.635 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296145384 295431347 /nfs/dbraw/zinc/43/13/47/295431347.db2.gz KBXOOMCOYFMBBW-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296175393 295436345 /nfs/dbraw/zinc/43/63/45/295436345.db2.gz VBQQAWJROOJYOM-IUIKQTSFSA-N 1 0 335.404 2.573 20 5 EFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296183223 295437420 /nfs/dbraw/zinc/43/74/20/295437420.db2.gz LKBUZVDRKCJOKN-JKSUJKDBSA-N 1 0 349.431 2.739 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000296368944 295465440 /nfs/dbraw/zinc/46/54/40/295465440.db2.gz OFCMDUSXEVZYRY-UHFFFAOYSA-N 1 0 334.420 2.660 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNc2ccccn2)n1 ZINC000447575085 304811794 /nfs/dbraw/zinc/81/17/94/304811794.db2.gz QFHFYVKADIOTBA-CABCVRRESA-N 1 0 344.419 2.762 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180401624 310799037 /nfs/dbraw/zinc/79/90/37/310799037.db2.gz SKBPEQYXEHCQRR-GFCCVEGCSA-N 1 0 331.347 2.701 20 5 EFBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297318023 310880197 /nfs/dbraw/zinc/88/01/97/310880197.db2.gz CBXWZZVLMZJGKT-UHFFFAOYSA-N 1 0 335.404 2.989 20 5 EFBDRO CS[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000297557689 310908437 /nfs/dbraw/zinc/90/84/37/310908437.db2.gz RIYJGWXXJIPCBC-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297591712 310911769 /nfs/dbraw/zinc/91/17/69/310911769.db2.gz MUXIWZYHKSOJKB-VBQJREDUSA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297591704 310911901 /nfs/dbraw/zinc/91/19/01/310911901.db2.gz MUXIWZYHKSOJKB-JJRVBVJISA-N 1 0 346.431 2.924 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000298217127 310968383 /nfs/dbraw/zinc/96/83/83/310968383.db2.gz TVDBLGMJGOVAOT-UHFFFAOYSA-N 1 0 346.431 2.530 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1SC ZINC000298221394 310968960 /nfs/dbraw/zinc/96/89/60/310968960.db2.gz AKYYTSIHGBSBGK-NWANDNLSSA-N 1 0 326.418 2.602 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000298287969 310975202 /nfs/dbraw/zinc/97/52/02/310975202.db2.gz IEMVZZAXOWNJKE-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO Cn1c2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2nc1C1CC1 ZINC000298557094 311002593 /nfs/dbraw/zinc/00/25/93/311002593.db2.gz YQTJNNSYMCNSPJ-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1SC ZINC000298601698 311007031 /nfs/dbraw/zinc/00/70/31/311007031.db2.gz ZEYBRRCNDKPTIF-NILFDRSVSA-N 1 0 326.418 2.602 20 5 EFBDRO CC(C)(CCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)[N+](=O)[O-] ZINC000298615688 311008083 /nfs/dbraw/zinc/00/80/83/311008083.db2.gz RVNZWGLTSLXLKH-HNNXBMFYSA-N 1 0 331.416 2.833 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000298933654 311035786 /nfs/dbraw/zinc/03/57/86/311035786.db2.gz AVYHZUHZZURZIU-JKSUJKDBSA-N 1 0 344.415 2.526 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298958529 311037719 /nfs/dbraw/zinc/03/77/19/311037719.db2.gz DPZYXQHFWIBSEA-KBPBESRZSA-N 1 0 329.356 2.698 20 5 EFBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000298990800 311040012 /nfs/dbraw/zinc/04/00/12/311040012.db2.gz KSPJXJNEEVTRDM-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298993579 311040283 /nfs/dbraw/zinc/04/02/83/311040283.db2.gz IRJSPTMVMSJDBD-LBPRGKRZSA-N 1 0 325.434 2.898 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299203122 311061184 /nfs/dbraw/zinc/06/11/84/311061184.db2.gz AKWMZGMQIGNPLJ-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCCC1 ZINC000299242547 311064634 /nfs/dbraw/zinc/06/46/34/311064634.db2.gz LMBCEVPZFXKUNR-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000299316691 311072054 /nfs/dbraw/zinc/07/20/54/311072054.db2.gz WWGHQHBPWAGLOH-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000299415095 311082700 /nfs/dbraw/zinc/08/27/00/311082700.db2.gz LXHMIQZJLATSLW-UHFFFAOYSA-N 1 0 343.383 2.568 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299564409 311097319 /nfs/dbraw/zinc/09/73/19/311097319.db2.gz GRMOKLOMKSELRZ-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO Cc1nccn1CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299582621 311099371 /nfs/dbraw/zinc/09/93/71/311099371.db2.gz DHOIUQHUQWBITR-UHFFFAOYSA-N 1 0 340.330 2.881 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000299591057 311100226 /nfs/dbraw/zinc/10/02/26/311100226.db2.gz JRAAKZBTSKCFMG-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301076428 311117537 /nfs/dbraw/zinc/11/75/37/311117537.db2.gz GWWVHXRPIAPGEV-MJBXVCDLSA-N 1 0 348.447 2.733 20 5 EFBDRO Cc1nn(C)c(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301286309 311129214 /nfs/dbraw/zinc/12/92/14/311129214.db2.gz OKOSLZUTJIKPRJ-UHFFFAOYSA-N 1 0 335.452 2.729 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000301290926 311129414 /nfs/dbraw/zinc/12/94/14/311129414.db2.gz WRJSQLWOMRMVAH-MNOVXSKESA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301327060 311131626 /nfs/dbraw/zinc/13/16/26/311131626.db2.gz ZQTZWLJCUNVHIW-LBPRGKRZSA-N 1 0 342.403 2.605 20 5 EFBDRO COc1cc(N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301330224 311131719 /nfs/dbraw/zinc/13/17/19/311131719.db2.gz APIUYSHQXVECNS-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO CCCC[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301361245 311133273 /nfs/dbraw/zinc/13/32/73/311133273.db2.gz LYTXCOVSSVFARD-UHFFFAOYSA-N 1 0 345.403 2.920 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301373874 311134158 /nfs/dbraw/zinc/13/41/58/311134158.db2.gz UWDSGUBLSULQHV-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301383180 311134753 /nfs/dbraw/zinc/13/47/53/311134753.db2.gz VLFORLISWPSXBD-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000301456160 311138349 /nfs/dbraw/zinc/13/83/49/311138349.db2.gz WVPNULUMXPRIBA-GHMZBOCLSA-N 1 0 347.337 2.505 20 5 EFBDRO O=C(NC1CC1)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301495635 311140750 /nfs/dbraw/zinc/14/07/50/311140750.db2.gz AUMAGVCKIMEEJP-UHFFFAOYSA-N 1 0 346.431 2.775 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301548200 311143759 /nfs/dbraw/zinc/14/37/59/311143759.db2.gz UNBLWCUUIXZRQY-INIZCTEOSA-N 1 0 344.415 2.912 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301583821 311145827 /nfs/dbraw/zinc/14/58/27/311145827.db2.gz OHZDLNSMJFNFAC-GHMZBOCLSA-N 1 0 331.376 2.528 20 5 EFBDRO C[C@@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301654640 311150197 /nfs/dbraw/zinc/15/01/97/311150197.db2.gz UTCHOAFZIQQZKX-SNVBAGLBSA-N 1 0 333.392 2.632 20 5 EFBDRO CC[N@@H+]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301660711 311150558 /nfs/dbraw/zinc/15/05/58/311150558.db2.gz JIVAWUHTMXMLTL-UHFFFAOYSA-N 1 0 328.210 2.889 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000301768503 311157312 /nfs/dbraw/zinc/15/73/12/311157312.db2.gz DVISUMVPCBGZII-OAHLLOKOSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1ccc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301815901 311160362 /nfs/dbraw/zinc/16/03/62/311160362.db2.gz IXFSUWHHYYRNLV-IAGOWNOFSA-N 1 0 346.475 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000302030866 311173429 /nfs/dbraw/zinc/17/34/29/311173429.db2.gz BXZVFVYCKMLLKD-GFCCVEGCSA-N 1 0 327.331 2.871 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000302106343 311178219 /nfs/dbraw/zinc/17/82/19/311178219.db2.gz SCTSETHDBYGEGV-ZDUSSCGKSA-N 1 0 333.388 2.810 20 5 EFBDRO Cc1cc(NCc2ccc(C(N)=O)o2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302152431 311181084 /nfs/dbraw/zinc/18/10/84/311181084.db2.gz HYLIPOGXSUOAOJ-UHFFFAOYSA-N 1 0 326.312 2.755 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302160325 311181581 /nfs/dbraw/zinc/18/15/81/311181581.db2.gz OWLXTSDAOPZJCR-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO C[NH+](C)CC1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCCC1 ZINC000302179747 311182861 /nfs/dbraw/zinc/18/28/61/311182861.db2.gz YVRGBNBTDZTKNQ-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000302782087 311200709 /nfs/dbraw/zinc/20/07/09/311200709.db2.gz SFERYBUIEQOEMN-GHMZBOCLSA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302783720 311200892 /nfs/dbraw/zinc/20/08/92/311200892.db2.gz UDWCQRXRQCYRFX-NSHDSACASA-N 1 0 327.812 2.530 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000308666814 311228086 /nfs/dbraw/zinc/22/80/86/311228086.db2.gz IZBKNBKLNWWJIX-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000313337941 311231859 /nfs/dbraw/zinc/23/18/59/311231859.db2.gz CZGLGIQWRDDIKB-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313393921 311232627 /nfs/dbraw/zinc/23/26/27/311232627.db2.gz WUDGYDHWAQXPRX-QGZVFWFLSA-N 1 0 325.368 2.690 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000325431892 311243095 /nfs/dbraw/zinc/24/30/95/311243095.db2.gz ROWBEDSRMSHFFG-YVMONPNESA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583439 311322728 /nfs/dbraw/zinc/32/27/28/311322728.db2.gz KHZMPXBRITZWFZ-STQMWFEESA-N 1 0 330.388 2.774 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330750713 311332827 /nfs/dbraw/zinc/33/28/27/311332827.db2.gz WMAWFBKJUGUNMU-AWEZNQCLSA-N 1 0 333.432 2.716 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330771690 311333915 /nfs/dbraw/zinc/33/39/15/311333915.db2.gz OXGYXRJLKKGANN-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000330850533 311338360 /nfs/dbraw/zinc/33/83/60/311338360.db2.gz WLPIAJXIFOGLFT-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330853526 311338804 /nfs/dbraw/zinc/33/88/04/311338804.db2.gz GQEHMIPBDBKLFA-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000330998978 311348166 /nfs/dbraw/zinc/34/81/66/311348166.db2.gz PRCZUYIQIFHGAO-QGZVFWFLSA-N 1 0 348.447 2.504 20 5 EFBDRO COc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000331076763 311352823 /nfs/dbraw/zinc/35/28/23/311352823.db2.gz WNGWLOLVOIRLLB-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273004 311363970 /nfs/dbraw/zinc/36/39/70/311363970.db2.gz CQQKSIYSJRMCJB-JMSVASOKSA-N 1 0 346.387 2.626 20 5 EFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273491 311364043 /nfs/dbraw/zinc/36/40/43/311364043.db2.gz CQQKSIYSJRMCJB-TYNCELHUSA-N 1 0 346.387 2.626 20 5 EFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270451 311364146 /nfs/dbraw/zinc/36/41/46/311364146.db2.gz ANNZPXKRPXYMJC-TYNCELHUSA-N 1 0 346.387 2.626 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331291912 311365401 /nfs/dbraw/zinc/36/54/01/311365401.db2.gz PQUOUDKGBPXLEQ-JDFRZJQESA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331430270 311376615 /nfs/dbraw/zinc/37/66/15/311376615.db2.gz JNQMMCKERLPARN-ZIAGYGMSSA-N 1 0 335.433 2.872 20 5 EFBDRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000331470605 311380644 /nfs/dbraw/zinc/38/06/44/311380644.db2.gz OONPFNOUPBRQEP-CQDKDKBSSA-N 1 0 332.408 2.527 20 5 EFBDRO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000331472257 311380943 /nfs/dbraw/zinc/38/09/43/311380943.db2.gz OHTNRRUCIBXYBR-HNNXBMFYSA-N 1 0 333.432 2.860 20 5 EFBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331483977 311381624 /nfs/dbraw/zinc/38/16/24/311381624.db2.gz JVMOPTSZNZFFJL-BLLLJJGKSA-N 1 0 331.416 2.931 20 5 EFBDRO Cc1noc(C)c1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331520535 311385859 /nfs/dbraw/zinc/38/58/59/311385859.db2.gz VQKSNOIISFDOOM-LSDHHAIUSA-N 1 0 333.392 2.712 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000331742038 311415213 /nfs/dbraw/zinc/41/52/13/311415213.db2.gz XKGMUXNUWPLHIC-CQSZACIVSA-N 1 0 334.420 2.507 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000332081279 311452185 /nfs/dbraw/zinc/45/21/85/311452185.db2.gz LPTHBNFYLYQKHD-HOCLYGCPSA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332313769 311487334 /nfs/dbraw/zinc/48/73/34/311487334.db2.gz NJNUQFNTHZENPO-CHWSQXEVSA-N 1 0 337.395 2.780 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332655253 311531730 /nfs/dbraw/zinc/53/17/30/311531730.db2.gz JEUMJOGNKRKHPZ-HIFRSBDPSA-N 1 0 349.406 2.924 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000392190890 311954005 /nfs/dbraw/zinc/95/40/05/311954005.db2.gz XWOVCOGJWZUPLU-DZHRUPLWSA-N 1 0 344.396 2.519 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145812 312046325 /nfs/dbraw/zinc/04/63/25/312046325.db2.gz VXWHMDUDBBTJGT-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145325 312046614 /nfs/dbraw/zinc/04/66/14/312046614.db2.gz ZQEDBDWCLSFQLD-MRXNPFEDSA-N 1 0 344.415 2.648 20 5 EFBDRO COc1cc(C[NH2+]CC(C)(C)c2cccnc2)c([N+](=O)[O-])cc1O ZINC000414562063 312051611 /nfs/dbraw/zinc/05/16/11/312051611.db2.gz UIBHYKDQQIQQHK-UHFFFAOYSA-N 1 0 331.372 2.771 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CN)C1CCCCC1 ZINC000414832929 312055690 /nfs/dbraw/zinc/05/56/90/312055690.db2.gz FHCJIPBYEHZSKD-CXAGYDPISA-N 1 0 348.447 2.809 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414926845 312064397 /nfs/dbraw/zinc/06/43/97/312064397.db2.gz LELBSWVWDISMMK-CJNGLKHVSA-N 1 0 348.447 2.680 20 5 EFBDRO COc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415128143 312098859 /nfs/dbraw/zinc/09/88/59/312098859.db2.gz RTGHXPPJXDLRIA-JKSUJKDBSA-N 1 0 345.374 2.669 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415303493 312127147 /nfs/dbraw/zinc/12/71/47/312127147.db2.gz UUILGFCBHZERBF-UONOGXRCSA-N 1 0 332.404 2.721 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415630324 312159131 /nfs/dbraw/zinc/15/91/31/312159131.db2.gz KKKFMZZVMVDHFP-OAHLLOKOSA-N 1 0 336.367 2.730 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415648745 312162145 /nfs/dbraw/zinc/16/21/45/312162145.db2.gz CINNZIOJBOCMLS-LBPRGKRZSA-N 1 0 336.392 2.505 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415649762 312162485 /nfs/dbraw/zinc/16/24/85/312162485.db2.gz DQYDSGGQLJINBZ-INIZCTEOSA-N 1 0 338.408 2.879 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415666990 312162639 /nfs/dbraw/zinc/16/26/39/312162639.db2.gz XOOBBHVQVWEWRW-UHFFFAOYSA-N 1 0 348.403 2.601 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415668358 312163133 /nfs/dbraw/zinc/16/31/33/312163133.db2.gz ZMUYQMQAKVONCJ-RISCZKNCSA-N 1 0 336.392 2.585 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417138889 312194764 /nfs/dbraw/zinc/19/47/64/312194764.db2.gz OKVZYSLSQCXFIG-CJNGLKHVSA-N 1 0 346.431 2.687 20 5 EFBDRO O=C1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000417308733 312206849 /nfs/dbraw/zinc/20/68/49/312206849.db2.gz IEOPXKQGVFFFDE-CXAGYDPISA-N 1 0 329.400 2.715 20 5 EFBDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317975 312208367 /nfs/dbraw/zinc/20/83/67/312208367.db2.gz XTCWELBZRWJJNH-KDOFPFPSSA-N 1 0 333.432 2.673 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417326299 312209219 /nfs/dbraw/zinc/20/92/19/312209219.db2.gz FYKCXPLUHZIKKZ-NXYGQSRBSA-N 1 0 334.416 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)CCCC2 ZINC000417334269 312210594 /nfs/dbraw/zinc/21/05/94/312210594.db2.gz RFAHBWMGSFRJIC-HDMKZQKVSA-N 1 0 334.416 2.597 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417713597 312260333 /nfs/dbraw/zinc/26/03/33/312260333.db2.gz GMULBNXXLLYYTH-INIZCTEOSA-N 1 0 348.447 2.606 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718182 312261130 /nfs/dbraw/zinc/26/11/30/312261130.db2.gz NVLRQQVLJCWHIO-YOEHRIQHSA-N 1 0 348.447 2.829 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417739933 312263934 /nfs/dbraw/zinc/26/39/34/312263934.db2.gz ZNWIHTGLZHULIN-QGZVFWFLSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000417821658 312275784 /nfs/dbraw/zinc/27/57/84/312275784.db2.gz DPSSEJJUVRMWRM-ZFWWWQNUSA-N 1 0 336.436 2.979 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417842052 312279801 /nfs/dbraw/zinc/27/98/01/312279801.db2.gz GLPZTKVNCNDIIA-YDHLFZDLSA-N 1 0 334.420 2.652 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000417847577 312280603 /nfs/dbraw/zinc/28/06/03/312280603.db2.gz KAZUFGPQGHONFS-CQSZACIVSA-N 1 0 348.447 2.995 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417849721 312281254 /nfs/dbraw/zinc/28/12/54/312281254.db2.gz LXMZYDQKDSLFNM-GUTXKFCHSA-N 1 0 334.420 2.781 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417850198 312281319 /nfs/dbraw/zinc/28/13/19/312281319.db2.gz MFUYJRLYGUATBC-HOTGVXAUSA-N 1 0 334.420 2.863 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417851170 312281575 /nfs/dbraw/zinc/28/15/75/312281575.db2.gz NBHAWHMIYBCYIY-ARLBYUKCSA-N 1 0 346.431 2.652 20 5 EFBDRO CC[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417854919 312282749 /nfs/dbraw/zinc/28/27/49/312282749.db2.gz QPIYFXLLYKHLIL-WQVCFCJDSA-N 1 0 334.420 2.815 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417856526 312283134 /nfs/dbraw/zinc/28/31/34/312283134.db2.gz SKDFMJHJFJTORP-OSAQELSMSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417860460 312284277 /nfs/dbraw/zinc/28/42/77/312284277.db2.gz YEYSTQUFLUMNIW-CFVMTHIKSA-N 1 0 332.404 2.500 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418140547 312333072 /nfs/dbraw/zinc/33/30/72/312333072.db2.gz VRBSNUPPRYWXBD-WEKMIXOTSA-N 1 0 325.359 2.927 20 5 EFBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418228691 312350859 /nfs/dbraw/zinc/35/08/59/312350859.db2.gz FLNYYJKMWQFDMC-BLLLJJGKSA-N 1 0 334.420 2.863 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420587532 312373875 /nfs/dbraw/zinc/37/38/75/312373875.db2.gz POJSNCFLUPUHLX-CYBMUJFWSA-N 1 0 334.420 2.618 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420607779 312375324 /nfs/dbraw/zinc/37/53/24/312375324.db2.gz CGITUHYEOZZPIN-AWEZNQCLSA-N 1 0 346.431 2.903 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420640206 312377754 /nfs/dbraw/zinc/37/77/54/312377754.db2.gz SOVVJRSTLMQQFH-LBPRGKRZSA-N 1 0 330.388 2.682 20 5 EFBDRO CCCN1C[C@@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000420651011 312379280 /nfs/dbraw/zinc/37/92/80/312379280.db2.gz JAXGOXPTXMBSER-CYBMUJFWSA-N 1 0 342.399 2.544 20 5 EFBDRO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000420811875 312395559 /nfs/dbraw/zinc/39/55/59/312395559.db2.gz FTHUXZMLMRDRFP-LRVUVFPRSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000423507395 312426671 /nfs/dbraw/zinc/42/66/71/312426671.db2.gz QAHZQERSNRRZMR-UWVGGRQHSA-N 1 0 343.836 2.549 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423734614 312445424 /nfs/dbraw/zinc/44/54/24/312445424.db2.gz DBHYAVTXWMQHHP-SNVBAGLBSA-N 1 0 333.310 2.530 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423733749 312445644 /nfs/dbraw/zinc/44/56/44/312445644.db2.gz OASZFDSYYVLUKG-GFCCVEGCSA-N 1 0 343.836 2.597 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H]1[NH3+] ZINC000423965974 312490953 /nfs/dbraw/zinc/49/09/53/312490953.db2.gz WKPBGFIYXSRPRF-MLGOLLRUSA-N 1 0 341.367 2.806 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)C2CC3CC(C2)CC1C3 ZINC000424046631 312502969 /nfs/dbraw/zinc/50/29/69/312502969.db2.gz SIVUUOPSDUMTNU-UHFFFAOYSA-N 1 0 347.390 2.617 20 5 EFBDRO COC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446929446 312660654 /nfs/dbraw/zinc/66/06/54/312660654.db2.gz KIBPMVQOWNMLHG-GOSISDBHSA-N 1 0 336.432 2.949 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000449349026 312686944 /nfs/dbraw/zinc/68/69/44/312686944.db2.gz OABMDCOAGBGTSB-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450872389 312763574 /nfs/dbraw/zinc/76/35/74/312763574.db2.gz BVACUFZXSWMRMQ-YOEHRIQHSA-N 1 0 344.415 2.593 20 5 EFBDRO CN(c1ncccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450951519 312782753 /nfs/dbraw/zinc/78/27/53/312782753.db2.gz QDJNVDQUUGNEBY-UHFFFAOYSA-N 1 0 332.326 2.843 20 5 EFBDRO COc1ccc2c(c1)OC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000453106309 312863757 /nfs/dbraw/zinc/86/37/57/312863757.db2.gz IOZLXLPHGDVBSR-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC(=O)N1 ZINC000453587481 312913420 /nfs/dbraw/zinc/91/34/20/312913420.db2.gz JXNPGHCDLIHSGP-QGZVFWFLSA-N 1 0 329.356 2.613 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000453635367 312922363 /nfs/dbraw/zinc/92/23/63/312922363.db2.gz USDPLRAPXISLEK-LRDDRELGSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000458226500 313088198 /nfs/dbraw/zinc/08/81/98/313088198.db2.gz SKUBVWYFWUVWCT-STQMWFEESA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473528645 313198878 /nfs/dbraw/zinc/19/88/78/313198878.db2.gz VOUJTLKGNLBYMN-CQSZACIVSA-N 1 0 328.416 2.955 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000474358988 313207749 /nfs/dbraw/zinc/20/77/49/313207749.db2.gz UUVITGHCRBGBQU-MQMHXKEQSA-N 1 0 336.388 2.815 20 5 EFBDRO COc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000474906311 313213205 /nfs/dbraw/zinc/21/32/05/313213205.db2.gz DCPVYVNUKSAZRL-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(F)F)CC1 ZINC000475212685 313219759 /nfs/dbraw/zinc/21/97/59/313219759.db2.gz LXHALFLYQTVQGQ-JTQLQIEISA-N 1 0 327.331 2.947 20 5 EFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475703714 313225168 /nfs/dbraw/zinc/22/51/68/313225168.db2.gz YAOGKIZRDZEOEM-TZMCWYRMSA-N 1 0 336.388 2.767 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000479967483 313277892 /nfs/dbraw/zinc/27/78/92/313277892.db2.gz XNMYFQHFCCWONK-BETUJISGSA-N 1 0 329.425 2.975 20 5 EFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485395965 313327535 /nfs/dbraw/zinc/32/75/35/313327535.db2.gz IOINMFOUHSYAGB-UHFFFAOYSA-N 1 0 332.379 2.970 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485601110 313329059 /nfs/dbraw/zinc/32/90/59/313329059.db2.gz QPRLRJLUWRCUKQ-UHFFFAOYSA-N 1 0 345.346 2.658 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472640 313337960 /nfs/dbraw/zinc/33/79/60/313337960.db2.gz UBMJJJWNKGVECX-YOEHRIQHSA-N 1 0 348.447 2.946 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472638 313338230 /nfs/dbraw/zinc/33/82/30/313338230.db2.gz UBMJJJWNKGVECX-RHSMWYFYSA-N 1 0 348.447 2.946 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3cccc(F)c3)CC2)n1 ZINC000488750143 313509197 /nfs/dbraw/zinc/50/91/97/313509197.db2.gz GGXHUSJZNRGVCQ-UHFFFAOYSA-N 1 0 334.351 2.646 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000491418822 313746250 /nfs/dbraw/zinc/74/62/50/313746250.db2.gz PKMZRAYNXKTWAG-BQYQJAHWSA-N 1 0 331.416 2.846 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491562583 313765038 /nfs/dbraw/zinc/76/50/38/313765038.db2.gz OBPDLIVBRFNLBR-QWGSZXSUSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491561134 313765256 /nfs/dbraw/zinc/76/52/56/313765256.db2.gz INUMWBIUOQZDGF-UXHZXRBQSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492320392 313949579 /nfs/dbraw/zinc/94/95/79/313949579.db2.gz OUBGDKALKLLBRD-DANTVBBOSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000492803909 314132102 /nfs/dbraw/zinc/13/21/02/314132102.db2.gz WASZIXUZIDILLL-HVHJFMEUSA-N 1 0 343.427 2.941 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000492803906 314132486 /nfs/dbraw/zinc/13/24/86/314132486.db2.gz WASZIXUZIDILLL-CDNLZTBQSA-N 1 0 343.427 2.941 20 5 EFBDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000492849435 314150817 /nfs/dbraw/zinc/15/08/17/314150817.db2.gz CKYDHILRLXVYSA-QXMHVHEDSA-N 1 0 339.395 2.904 20 5 EFBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000492852749 314151069 /nfs/dbraw/zinc/15/10/69/314151069.db2.gz MGWGJEUTBFTUFX-BQYQJAHWSA-N 1 0 345.424 2.966 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000492922257 314178160 /nfs/dbraw/zinc/17/81/60/314178160.db2.gz MXXFZJISGOHCRB-VPARFWPLSA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492922711 314178954 /nfs/dbraw/zinc/17/89/54/314178954.db2.gz GRESIPNBNGXRNK-TZDXQJPWSA-N 1 0 347.390 2.832 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCC1 ZINC000493026925 314215893 /nfs/dbraw/zinc/21/58/93/314215893.db2.gz RDPILMRFYTXDSX-FLIBITNWSA-N 1 0 331.416 2.990 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493083181 314234549 /nfs/dbraw/zinc/23/45/49/314234549.db2.gz MBMGSDAPIFSNFJ-PSKZRQQASA-N 1 0 329.400 2.599 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493374794 314333577 /nfs/dbraw/zinc/33/35/77/314333577.db2.gz XOEBFAMFWUWPAN-VQHVLOKHSA-N 1 0 337.395 2.984 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000493395543 314340771 /nfs/dbraw/zinc/34/07/71/314340771.db2.gz VGSRMKTXZYUELS-TWGQIWQCSA-N 1 0 329.400 2.741 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495479602 314729297 /nfs/dbraw/zinc/72/92/97/314729297.db2.gz JAASHGRJLIHBOM-CMPLNLGQSA-N 1 0 327.406 2.613 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000495553362 314753853 /nfs/dbraw/zinc/75/38/53/314753853.db2.gz AHPJXMMDWJODHQ-HIFRSBDPSA-N 1 0 335.404 2.860 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496440498 315067568 /nfs/dbraw/zinc/06/75/68/315067568.db2.gz SUTQICJPRWBXLS-RCBBPTIPSA-N 1 0 333.388 2.771 20 5 EFBDRO O=C1OCCN1C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000497286106 315379516 /nfs/dbraw/zinc/37/95/16/315379516.db2.gz PDDJJLTYJVEQBI-LBPRGKRZSA-N 1 0 339.779 2.522 20 5 EFBDRO O=C1OCCN1C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000497286105 315379770 /nfs/dbraw/zinc/37/97/70/315379770.db2.gz PDDJJLTYJVEQBI-GFCCVEGCSA-N 1 0 339.779 2.522 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000497515449 315393333 /nfs/dbraw/zinc/39/33/33/315393333.db2.gz MVUMMAWYAPGXDS-STQMWFEESA-N 1 0 335.404 2.690 20 5 EFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507263514 315480234 /nfs/dbraw/zinc/48/02/34/315480234.db2.gz BMIOUJVRVRVCNZ-RVBZMBCESA-N 1 0 343.836 2.916 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507438363 315484942 /nfs/dbraw/zinc/48/49/42/315484942.db2.gz CXIBVXIAVVQCBG-MCIONIFRSA-N 1 0 335.404 2.717 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000515637595 315631246 /nfs/dbraw/zinc/63/12/46/315631246.db2.gz ATZKJENGDABMEG-CAOSSQGBSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000516277390 315669064 /nfs/dbraw/zinc/66/90/64/315669064.db2.gz DBEROTRIDJUEBV-LLVKDONJSA-N 1 0 334.401 2.773 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000516563891 315685676 /nfs/dbraw/zinc/68/56/76/315685676.db2.gz YRPNADIYBRDHAE-KBXCAEBGSA-N 1 0 330.384 2.728 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517589226 315770952 /nfs/dbraw/zinc/77/09/52/315770952.db2.gz XQYAHBBHCFORLQ-HUUCEWRRSA-N 1 0 347.415 2.627 20 5 EFBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519594399 315877962 /nfs/dbraw/zinc/87/79/62/315877962.db2.gz AZJKGIBQQFJZPS-KDOFPFPSSA-N 1 0 349.431 2.964 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000519708863 315900772 /nfs/dbraw/zinc/90/07/72/315900772.db2.gz NWKVKFBDBUPETQ-YQVWRLOYSA-N 1 0 345.443 2.815 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000520497811 315960910 /nfs/dbraw/zinc/96/09/10/315960910.db2.gz FTNAZJXCDHZQJX-AWEZNQCLSA-N 1 0 337.445 2.630 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000520952306 315988702 /nfs/dbraw/zinc/98/87/02/315988702.db2.gz NUDHJZUSGVVKCE-OAHLLOKOSA-N 1 0 342.399 2.739 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522175289 316077369 /nfs/dbraw/zinc/07/73/69/316077369.db2.gz FFKDNINYJHTNHB-HNNXBMFYSA-N 1 0 340.383 2.841 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000522203294 316080000 /nfs/dbraw/zinc/08/00/00/316080000.db2.gz KGZDGBFGHBNBDQ-HNNXBMFYSA-N 1 0 349.431 2.527 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523536374 316128886 /nfs/dbraw/zinc/12/88/86/316128886.db2.gz WARLRNKCHGQXMR-UHFFFAOYSA-N 1 0 328.372 2.666 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524040665 316145107 /nfs/dbraw/zinc/14/51/07/316145107.db2.gz OJJONJQJXHOPCD-AWEZNQCLSA-N 1 0 329.356 2.651 20 5 EFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000525959164 316263814 /nfs/dbraw/zinc/26/38/14/316263814.db2.gz SRQIPLZVXBMYJW-DYVFJYSZSA-N 1 0 344.415 2.663 20 5 EFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000525959163 316263849 /nfs/dbraw/zinc/26/38/49/316263849.db2.gz SRQIPLZVXBMYJW-CXAGYDPISA-N 1 0 344.415 2.663 20 5 EFBDRO Cn1cncc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000530407524 317122150 /nfs/dbraw/zinc/12/21/50/317122150.db2.gz UUCCTRDNIALAAY-WMLDXEAASA-N 1 0 328.416 2.872 20 5 EFBDRO COC(=O)CCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000530763062 317176192 /nfs/dbraw/zinc/17/61/92/317176192.db2.gz GPPJSMLPFJGVRK-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000531683125 317300867 /nfs/dbraw/zinc/30/08/67/317300867.db2.gz VFVXNZLITPHSSI-CYBMUJFWSA-N 1 0 331.372 2.866 20 5 EFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532239561 317373221 /nfs/dbraw/zinc/37/32/21/317373221.db2.gz DFFVJADCOXIXEN-MELADBBJSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532511330 317408810 /nfs/dbraw/zinc/40/88/10/317408810.db2.gz YKELHPYZNCKXOI-OGHNNQOOSA-N 1 0 337.420 2.699 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000535004184 317568568 /nfs/dbraw/zinc/56/85/68/317568568.db2.gz FKBQFZDSCBKCGS-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000537967134 317686813 /nfs/dbraw/zinc/68/68/13/317686813.db2.gz VMMIUWWQOYYJJY-UHFFFAOYSA-N 1 0 348.321 2.799 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000539715417 317726067 /nfs/dbraw/zinc/72/60/67/317726067.db2.gz ANYYRLXPNGFCHU-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000542526739 317815697 /nfs/dbraw/zinc/81/56/97/317815697.db2.gz PRKDPAVDRKTPTQ-LLVKDONJSA-N 1 0 348.346 2.965 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737077 318035973 /nfs/dbraw/zinc/03/59/73/318035973.db2.gz XOFYZSSAAFUWSJ-UHFFFAOYSA-N 1 0 349.431 2.874 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000548416667 318105656 /nfs/dbraw/zinc/10/56/56/318105656.db2.gz DGASOLUUAOSPQH-LBPRGKRZSA-N 1 0 336.367 2.684 20 5 EFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000548761594 318140762 /nfs/dbraw/zinc/14/07/62/318140762.db2.gz VLSPRAFLDVUKAM-GJZGRUSLSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000548761595 318140835 /nfs/dbraw/zinc/14/08/35/318140835.db2.gz VLSPRAFLDVUKAM-HUUCEWRRSA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549152377 318167738 /nfs/dbraw/zinc/16/77/38/318167738.db2.gz QLIZKMVMWSYSJC-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO CCc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000549193492 318168552 /nfs/dbraw/zinc/16/85/52/318168552.db2.gz KFRJQIGEOBNIBX-CYBMUJFWSA-N 1 0 336.413 2.748 20 5 EFBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551935539 318227431 /nfs/dbraw/zinc/22/74/31/318227431.db2.gz TVGUAEPMHLRGMC-UHFFFAOYSA-N 1 0 333.310 2.637 20 5 EFBDRO C[NH+](C)CCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000551938822 318227691 /nfs/dbraw/zinc/22/76/91/318227691.db2.gz HLCJAEPJZLTUOJ-INIZCTEOSA-N 1 0 337.445 2.901 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099507 318242433 /nfs/dbraw/zinc/24/24/33/318242433.db2.gz LDMUZVHFTQRHEF-YOEHRIQHSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000552145818 318245314 /nfs/dbraw/zinc/24/53/14/318245314.db2.gz JEDCVZVCVWZDRD-VNHYZAJKSA-N 1 0 349.456 2.771 20 5 EFBDRO CC1(C)c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000552663077 318260598 /nfs/dbraw/zinc/26/05/98/318260598.db2.gz BUYASTVTZYUQAA-UHFFFAOYSA-N 1 0 327.384 2.550 20 5 EFBDRO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000553249560 318276765 /nfs/dbraw/zinc/27/67/65/318276765.db2.gz OKVVPZVHSYFAIK-UHFFFAOYSA-N 1 0 335.404 2.976 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000554116539 318301769 /nfs/dbraw/zinc/30/17/69/318301769.db2.gz KPINCKZXCGUDBW-GRDNDAEWSA-N 1 0 331.416 2.784 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000554404395 318311063 /nfs/dbraw/zinc/31/10/63/318311063.db2.gz WRVCYFQEOWHBDI-APHBMKBZSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)[NH+](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000554527535 318321035 /nfs/dbraw/zinc/32/10/35/318321035.db2.gz HWAASXOFWYCGGD-UHFFFAOYSA-N 1 0 336.436 2.632 20 5 EFBDRO CC[NH+]1CCC(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000554586448 318326693 /nfs/dbraw/zinc/32/66/93/318326693.db2.gz HSIWDBWFRUZQLE-UHFFFAOYSA-N 1 0 348.447 2.877 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000561466926 318604348 /nfs/dbraw/zinc/60/43/48/318604348.db2.gz ARIBFBNELKLXTK-VUCTXSBTSA-N 1 0 349.431 2.963 20 5 EFBDRO C[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395138 318643155 /nfs/dbraw/zinc/64/31/55/318643155.db2.gz MZXWQRUINPCUFX-AWEZNQCLSA-N 1 0 331.416 2.785 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000563271174 318761760 /nfs/dbraw/zinc/76/17/60/318761760.db2.gz KGBHUDVKEUDUIZ-MYWXAZLQSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563748584 318813602 /nfs/dbraw/zinc/81/36/02/318813602.db2.gz VSACKMPHKQTIBG-RDJZCZTQSA-N 1 0 342.395 2.920 20 5 EFBDRO CCc1noc(CC)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564850958 318900190 /nfs/dbraw/zinc/90/01/90/318900190.db2.gz ZPYICSJPMZDLFP-UHFFFAOYSA-N 1 0 346.387 2.826 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565300026 318956370 /nfs/dbraw/zinc/95/63/70/318956370.db2.gz MICMRVVSSUCYRT-YVEFUNNKSA-N 1 0 340.383 2.725 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000566247924 319052094 /nfs/dbraw/zinc/05/20/94/319052094.db2.gz BBUQZQYTFNIGLD-GJZGRUSLSA-N 1 0 348.399 2.911 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000566500791 319084524 /nfs/dbraw/zinc/08/45/24/319084524.db2.gz QWCRABQRBIYVRR-HZPDHXFCSA-N 1 0 331.416 2.926 20 5 EFBDRO CCc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566738499 319106415 /nfs/dbraw/zinc/10/64/15/319106415.db2.gz WXOPUVWFFWAEHM-NWDGAFQWSA-N 1 0 329.404 2.574 20 5 EFBDRO CCc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566738498 319106430 /nfs/dbraw/zinc/10/64/30/319106430.db2.gz WXOPUVWFFWAEHM-NEPJUHHUSA-N 1 0 329.404 2.574 20 5 EFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000566792481 319111127 /nfs/dbraw/zinc/11/11/27/319111127.db2.gz ZCJMFFODTBLNPD-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1c(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000567376221 319165910 /nfs/dbraw/zinc/16/59/10/319165910.db2.gz HYQQXAYBXNWHGV-GOSISDBHSA-N 1 0 325.368 2.773 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000568390431 319279698 /nfs/dbraw/zinc/27/96/98/319279698.db2.gz MUTRUIITOKUGCE-SUMWQHHRSA-N 1 0 339.395 2.967 20 5 EFBDRO Cc1c(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000568462049 319284761 /nfs/dbraw/zinc/28/47/61/319284761.db2.gz QTKYDOKLXUECFK-UHFFFAOYSA-N 1 0 348.447 2.919 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000568533550 319294204 /nfs/dbraw/zinc/29/42/04/319294204.db2.gz SZDRHSADAPJILX-INIZCTEOSA-N 1 0 346.408 2.646 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000569453895 319381856 /nfs/dbraw/zinc/38/18/56/319381856.db2.gz NBRSPLWWGUOYOB-ZDUSSCGKSA-N 1 0 346.431 2.629 20 5 EFBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570887995 319521530 /nfs/dbraw/zinc/52/15/30/319521530.db2.gz DBXJKPJNZUCZDB-WCBMZHEXSA-N 1 0 346.168 2.945 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571061354 319539229 /nfs/dbraw/zinc/53/92/29/319539229.db2.gz WFPCPYJRELDDPP-QGZVFWFLSA-N 1 0 339.395 2.910 20 5 EFBDRO CN(CCC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000571392773 319569237 /nfs/dbraw/zinc/56/92/37/319569237.db2.gz GEIUZWGBHYPTAI-UHFFFAOYSA-N 1 0 333.310 2.637 20 5 EFBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571874686 319614521 /nfs/dbraw/zinc/61/45/21/319614521.db2.gz CSYCTNDZFIELEW-ZDUSSCGKSA-N 1 0 343.383 2.850 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000572103186 319636950 /nfs/dbraw/zinc/63/69/50/319636950.db2.gz JBWFEESTZQMIJC-QGZVFWFLSA-N 1 0 342.399 2.874 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000572463503 319671629 /nfs/dbraw/zinc/67/16/29/319671629.db2.gz ZHTJCFWSYBSKST-ZDUSSCGKSA-N 1 0 340.445 2.769 20 5 EFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000572595202 319686064 /nfs/dbraw/zinc/68/60/64/319686064.db2.gz ZFZWZLJSSXFULG-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000573107776 319734997 /nfs/dbraw/zinc/73/49/97/319734997.db2.gz FZKPDWZFRQIYAL-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO C[NH+](C)Cc1ccc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000574151865 319834754 /nfs/dbraw/zinc/83/47/54/319834754.db2.gz VBCGSAULAYOEST-QGZVFWFLSA-N 1 0 345.399 2.508 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000574429784 319862419 /nfs/dbraw/zinc/86/24/19/319862419.db2.gz RDTGOANOQYLMON-CQSZACIVSA-N 1 0 336.775 2.778 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000575127161 319927593 /nfs/dbraw/zinc/92/75/93/319927593.db2.gz WCEUNUZBLFWJLI-HZPDHXFCSA-N 1 0 346.435 2.898 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000575637193 319947986 /nfs/dbraw/zinc/94/79/86/319947986.db2.gz NEXXAMMLGQHMLM-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000576100926 319983693 /nfs/dbraw/zinc/98/36/93/319983693.db2.gz IXYDSMGTKOODGA-CYBMUJFWSA-N 1 0 330.331 2.502 20 5 EFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000576332402 320006255 /nfs/dbraw/zinc/00/62/55/320006255.db2.gz VCXWJOHXDSIDBY-BBRMVZONSA-N 1 0 339.823 2.971 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000576742278 320044343 /nfs/dbraw/zinc/04/43/43/320044343.db2.gz GWTABQUCKKXQGJ-GFCCVEGCSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000577647265 320131396 /nfs/dbraw/zinc/13/13/96/320131396.db2.gz KQANYOWVDOUROO-MBNYWOFBSA-N 1 0 335.379 2.533 20 5 EFBDRO CCC(C)(C)C1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000577838041 320148974 /nfs/dbraw/zinc/14/89/74/320148974.db2.gz FPJZEAZMLPGHGU-XUJLQICISA-N 1 0 338.452 2.737 20 5 EFBDRO CN(C(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000577865702 320152851 /nfs/dbraw/zinc/15/28/51/320152851.db2.gz KMMCCJRFTUIEFR-MRXNPFEDSA-N 1 0 331.416 2.963 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000578063786 320169682 /nfs/dbraw/zinc/16/96/82/320169682.db2.gz UARWHPHZAHDHOQ-OAHLLOKOSA-N 1 0 346.431 2.531 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000578241925 320188454 /nfs/dbraw/zinc/18/84/54/320188454.db2.gz AQQSIFKOWGCETP-CHWSQXEVSA-N 1 0 347.415 2.655 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578247256 320188990 /nfs/dbraw/zinc/18/89/90/320188990.db2.gz PNAPVVIIEQSYJA-CZUORRHYSA-N 1 0 341.415 2.574 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578247254 320189068 /nfs/dbraw/zinc/18/90/68/320189068.db2.gz PNAPVVIIEQSYJA-BBRMVZONSA-N 1 0 341.415 2.574 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000578668643 320228606 /nfs/dbraw/zinc/22/86/06/320228606.db2.gz JUXYMKAQAUKAAI-QXAKKESOSA-N 1 0 345.443 2.550 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000182331178 323277513 /nfs/dbraw/zinc/27/75/13/323277513.db2.gz IGVUYDVNNPOHMI-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000182667237 323293874 /nfs/dbraw/zinc/29/38/74/323293874.db2.gz UKTVZFLINQCFFS-OAHLLOKOSA-N 1 0 340.383 2.749 20 5 EFBDRO C[S@@](=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183069149 323314858 /nfs/dbraw/zinc/31/48/58/323314858.db2.gz MQPSDGHIDVHZCQ-BXKMTCNYSA-N 1 0 348.424 2.683 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184113069 323356164 /nfs/dbraw/zinc/35/61/64/323356164.db2.gz UISGQTQOFJJUAA-LRDDRELGSA-N 1 0 337.395 2.636 20 5 EFBDRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184763661 323373931 /nfs/dbraw/zinc/37/39/31/323373931.db2.gz LBSPJLHNMCQJTF-CYBMUJFWSA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184768985 323374125 /nfs/dbraw/zinc/37/41/25/323374125.db2.gz FUVRFARYZVRRMQ-LLVKDONJSA-N 1 0 325.384 2.541 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184923742 323378174 /nfs/dbraw/zinc/37/81/74/323378174.db2.gz ZLSGLFHMKIBZJB-CHWSQXEVSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000184972584 323379057 /nfs/dbraw/zinc/37/90/57/323379057.db2.gz KLYUDMWGVDMZOB-AWEZNQCLSA-N 1 0 334.420 2.659 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185235836 323388422 /nfs/dbraw/zinc/38/84/22/323388422.db2.gz KWWZNUAORRQJNR-GXTWGEPZSA-N 1 0 337.395 2.828 20 5 EFBDRO COC(=O)Cc1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000296693298 323582580 /nfs/dbraw/zinc/58/25/80/323582580.db2.gz DCHLMKDONRUKJI-UHFFFAOYSA-N 1 0 347.415 2.597 20 5 EFBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000579103502 323885304 /nfs/dbraw/zinc/88/53/04/323885304.db2.gz NMILJTYGYKTPEA-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000579222166 323910541 /nfs/dbraw/zinc/91/05/41/323910541.db2.gz FDOUDOANQPOSCK-UHFFFAOYSA-N 1 0 342.399 2.649 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000579545147 323977108 /nfs/dbraw/zinc/97/71/08/323977108.db2.gz MRCGFZFNGDALID-IXDOHACOSA-N 1 0 332.400 2.911 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000579701985 324014143 /nfs/dbraw/zinc/01/41/43/324014143.db2.gz LQWXHOCILPIJGI-JSGCOSHPSA-N 1 0 344.358 2.750 20 5 EFBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579833881 324041733 /nfs/dbraw/zinc/04/17/33/324041733.db2.gz LQUSZTDKMKPYMH-MRXNPFEDSA-N 1 0 337.420 2.556 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000580193536 324118184 /nfs/dbraw/zinc/11/81/84/324118184.db2.gz HHVPVAFVTNKEMX-QWHCGFSZSA-N 1 0 340.351 2.517 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000580628629 324200876 /nfs/dbraw/zinc/20/08/76/324200876.db2.gz MSEMYBHTXYWDQH-ZWNOBZJWSA-N 1 0 344.337 2.929 20 5 EFBDRO O=C(CC[NH2+]Cc1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000580845533 324251377 /nfs/dbraw/zinc/25/13/77/324251377.db2.gz QCQIRLGRTKMZME-UHFFFAOYSA-N 1 0 335.310 2.991 20 5 EFBDRO Cn1cc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000581109990 324305716 /nfs/dbraw/zinc/30/57/16/324305716.db2.gz CUDDRJZYFMUYOC-QGZVFWFLSA-N 1 0 328.416 2.996 20 5 EFBDRO Cn1cc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000581407880 324369275 /nfs/dbraw/zinc/36/92/75/324369275.db2.gz NTYMSYOOKZVGRV-OAHLLOKOSA-N 1 0 344.415 2.833 20 5 EFBDRO CNc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000581428386 324375762 /nfs/dbraw/zinc/37/57/62/324375762.db2.gz CRTWJQKUIKNAIA-UHFFFAOYSA-N 1 0 334.420 2.618 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000581462530 324382172 /nfs/dbraw/zinc/38/21/72/324382172.db2.gz IRQVPSCYUBTHGZ-ZBFHGGJFSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000581484286 324388616 /nfs/dbraw/zinc/38/86/16/324388616.db2.gz BJTFDGQTUJKWCQ-YCPHGPKFSA-N 1 0 338.452 2.594 20 5 EFBDRO C[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000582335171 324569547 /nfs/dbraw/zinc/56/95/47/324569547.db2.gz OWGOPGUSBKTDFW-AWEZNQCLSA-N 1 0 333.432 2.937 20 5 EFBDRO COc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000582600584 324629259 /nfs/dbraw/zinc/62/92/59/324629259.db2.gz FQBMBNMFJBGYJI-HNNXBMFYSA-N 1 0 343.383 2.700 20 5 EFBDRO Cc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000531604704 448114074 /nfs/dbraw/zinc/11/40/74/448114074.db2.gz UNBVHCRPENVMBO-UHFFFAOYSA-N 1 0 341.415 2.532 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210929 449754021 /nfs/dbraw/zinc/75/40/21/449754021.db2.gz WQZLLYIYRPGSIK-HIFRSBDPSA-N 1 0 327.388 2.565 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124003704 473204835 /nfs/dbraw/zinc/20/48/35/473204835.db2.gz QIZNYXLZUDUDBS-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070543541 472500552 /nfs/dbraw/zinc/50/05/52/472500552.db2.gz NDFDXJVHJMKRDW-VHSXEESVSA-N 1 0 328.210 2.921 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000081521114 473213369 /nfs/dbraw/zinc/21/33/69/473213369.db2.gz FDMVNLBYGMCUII-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081523685 473214692 /nfs/dbraw/zinc/21/46/92/473214692.db2.gz HOGDMHUEIBOUOD-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124193229 473218487 /nfs/dbraw/zinc/21/84/87/473218487.db2.gz RLEZYRMQDGMVIG-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000161333706 473227723 /nfs/dbraw/zinc/22/77/23/473227723.db2.gz UXTMYTPWJYPKNF-LSDHHAIUSA-N 1 0 349.434 2.541 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000139180223 473228772 /nfs/dbraw/zinc/22/87/72/473228772.db2.gz CEBABXAGPKPIBG-CYBMUJFWSA-N 1 0 336.436 2.877 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000124323055 473232743 /nfs/dbraw/zinc/23/27/43/473232743.db2.gz TVKBHSQIBYIYLX-OAHLLOKOSA-N 1 0 348.447 2.762 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081630505 473234557 /nfs/dbraw/zinc/23/45/57/473234557.db2.gz MROCWFMPUSPOKB-INIZCTEOSA-N 1 0 333.432 2.637 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000095973189 473236320 /nfs/dbraw/zinc/23/63/20/473236320.db2.gz PCXKNPAPBOVWGD-CYBMUJFWSA-N 1 0 336.779 2.598 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](C2CC2)CC1 ZINC000095980546 473239876 /nfs/dbraw/zinc/23/98/76/473239876.db2.gz BAYVLYMQQFAEAZ-UHFFFAOYSA-N 1 0 341.209 2.791 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1[N+](=O)[O-] ZINC000095982159 473241221 /nfs/dbraw/zinc/24/12/21/473241221.db2.gz XKQQNPDYCCUQJA-RISCZKNCSA-N 1 0 345.403 2.559 20 5 EFBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000124414772 473243373 /nfs/dbraw/zinc/24/33/73/473243373.db2.gz GRELZAIQMMRBHT-CYBMUJFWSA-N 1 0 340.383 2.772 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161711531 473254725 /nfs/dbraw/zinc/25/47/25/473254725.db2.gz KHACXJHRBHNKKZ-RYUDHWBXSA-N 1 0 346.412 2.718 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000112311368 473255680 /nfs/dbraw/zinc/25/56/80/473255680.db2.gz OOKUDVUAZPJJAW-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000142985648 473270491 /nfs/dbraw/zinc/27/04/91/473270491.db2.gz COZGEKLSQIYCFH-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000124600106 473271754 /nfs/dbraw/zinc/27/17/54/473271754.db2.gz RMCVNOKOLMJWEP-KBXCAEBGSA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000486967779 468015748 /nfs/dbraw/zinc/01/57/48/468015748.db2.gz NMFBYWDYQHONIG-OCCSQVGLSA-N 1 0 329.360 2.684 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000124672676 473284150 /nfs/dbraw/zinc/28/41/50/473284150.db2.gz VLHMVRMRSWAQNW-KRWDZBQOSA-N 1 0 345.443 2.923 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000161955583 473285668 /nfs/dbraw/zinc/28/56/68/473285668.db2.gz FEHWRXDAOAXZBB-CQSZACIVSA-N 1 0 334.420 2.615 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000144854234 473289547 /nfs/dbraw/zinc/28/95/47/473289547.db2.gz NQAOCLIYGSABLF-UHFFFAOYSA-N 1 0 328.372 2.707 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000112698345 473296346 /nfs/dbraw/zinc/29/63/46/473296346.db2.gz CNQVGFMZCLESMS-UHFFFAOYSA-N 1 0 330.384 2.511 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171167614 473307761 /nfs/dbraw/zinc/30/77/61/473307761.db2.gz MDGYLIPQUGTZFO-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000171167719 473308655 /nfs/dbraw/zinc/30/86/55/473308655.db2.gz SWEPRSYYMWOKSH-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000147709333 473311027 /nfs/dbraw/zinc/31/10/27/473311027.db2.gz VNJHLOPCFZRSPT-HNNXBMFYSA-N 1 0 333.413 2.997 20 5 EFBDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000083026339 473313538 /nfs/dbraw/zinc/31/35/38/473313538.db2.gz FUTDPFISTPECFV-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177159227 473319961 /nfs/dbraw/zinc/31/99/61/473319961.db2.gz AYZYIXVBBIJQOT-MNOVXSKESA-N 1 0 335.429 2.672 20 5 EFBDRO C[C@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000162241444 473320144 /nfs/dbraw/zinc/32/01/44/473320144.db2.gz MJOYICMRDVRZNS-ZIAGYGMSSA-N 1 0 333.432 2.972 20 5 EFBDRO COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1O ZINC000177225897 473336801 /nfs/dbraw/zinc/33/68/01/473336801.db2.gz VMUHTOFFKQBJHI-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185128886 473337363 /nfs/dbraw/zinc/33/73/63/473337363.db2.gz IPKKPKPLUVNXAX-UKRRQHHQSA-N 1 0 349.406 2.924 20 5 EFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112988323 473342998 /nfs/dbraw/zinc/34/29/98/473342998.db2.gz LGIOXYLKGGNFJX-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150743818 473345361 /nfs/dbraw/zinc/34/53/61/473345361.db2.gz NISREIZZUFZDBI-MRXNPFEDSA-N 1 0 331.416 2.614 20 5 EFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]([NH3+])c1ccccc1 ZINC000150845209 473365594 /nfs/dbraw/zinc/36/55/94/473365594.db2.gz DUWHQDSAAKHFDK-YVEFUNNKSA-N 1 0 325.368 2.820 20 5 EFBDRO COCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000125182354 473371031 /nfs/dbraw/zinc/37/10/31/473371031.db2.gz PYNUIDDCQMWFQW-UHFFFAOYSA-N 1 0 347.371 2.583 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177434382 473377609 /nfs/dbraw/zinc/37/76/09/473377609.db2.gz INFGQNZFPVIKER-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000162766853 473380597 /nfs/dbraw/zinc/38/05/97/473380597.db2.gz IUSBRJWDSFDUDQ-JTQLQIEISA-N 1 0 341.433 2.573 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000113364610 473387369 /nfs/dbraw/zinc/38/73/69/473387369.db2.gz FZDMCZLZIVFXOS-SNVBAGLBSA-N 1 0 326.784 2.664 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000177494316 473389523 /nfs/dbraw/zinc/38/95/23/473389523.db2.gz MDIWWRBNIIRWID-DOTOQJQBSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171448053 473391400 /nfs/dbraw/zinc/39/14/00/473391400.db2.gz PVFRZGKALOVDPS-ZFWWWQNUSA-N 1 0 349.456 2.772 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000312031666 474845194 /nfs/dbraw/zinc/84/51/94/474845194.db2.gz XXPBPZGCKHAKHE-SECBINFHSA-N 1 0 331.214 2.893 20 5 EFBDRO CO[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000338545720 476000180 /nfs/dbraw/zinc/00/01/80/476000180.db2.gz IXMFQDVAKXYRSU-NVXWUHKLSA-N 1 0 342.399 2.864 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423976949 477242219 /nfs/dbraw/zinc/24/22/19/477242219.db2.gz HGRIIJMDTIQJST-UHFFFAOYSA-N 1 0 346.412 2.700 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137649 478792924 /nfs/dbraw/zinc/79/29/24/478792924.db2.gz LOKMQYNIXWLCIJ-UHFFFAOYSA-N 1 0 333.775 2.689 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000505704864 478879168 /nfs/dbraw/zinc/87/91/68/478879168.db2.gz GHUATRKUMWPOAI-HNNXBMFYSA-N 1 0 332.448 2.508 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCOC1 ZINC000602638127 479441743 /nfs/dbraw/zinc/44/17/43/479441743.db2.gz CRTDELWBPZLOTP-ZDUSSCGKSA-N 1 0 334.294 2.509 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000007064809 471590696 /nfs/dbraw/zinc/59/06/96/471590696.db2.gz RZPWMWCHGBRAMU-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007385875 471610592 /nfs/dbraw/zinc/61/05/92/471610592.db2.gz KVCWCUXWNZVGKM-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000009917242 471724193 /nfs/dbraw/zinc/72/41/93/471724193.db2.gz NMZOLSHAARVPCT-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010818384 471742905 /nfs/dbraw/zinc/74/29/05/471742905.db2.gz IJPOQMAABCQRHX-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO Cc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000015140323 471891729 /nfs/dbraw/zinc/89/17/29/471891729.db2.gz UBCWQMCXQGRCQY-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000016599203 471943094 /nfs/dbraw/zinc/94/30/94/471943094.db2.gz KDJVYZOAGXPQPX-KRWDZBQOSA-N 1 0 342.399 2.669 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000017794042 471964168 /nfs/dbraw/zinc/96/41/68/471964168.db2.gz GHBWYLIXBMHYPN-KRWDZBQOSA-N 1 0 341.411 2.806 20 5 EFBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000053160431 471978034 /nfs/dbraw/zinc/97/80/34/471978034.db2.gz UMOGPXUMJYEEPA-GJZGRUSLSA-N 1 0 348.447 2.633 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000067139245 471996469 /nfs/dbraw/zinc/99/64/69/471996469.db2.gz FEUQDMNIIDGXSO-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000067232355 472008752 /nfs/dbraw/zinc/00/87/52/472008752.db2.gz FEBOGBOZFAXELY-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000067265451 472011253 /nfs/dbraw/zinc/01/12/53/472011253.db2.gz CNZLKQYJQDZLMK-BQYQJAHWSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[NH+](CC)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000022704494 472019036 /nfs/dbraw/zinc/01/90/36/472019036.db2.gz QPDKDUNOFVKWAT-LBPRGKRZSA-N 1 0 325.434 2.533 20 5 EFBDRO CNC(=O)c1ccc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053572169 472020726 /nfs/dbraw/zinc/02/07/26/472020726.db2.gz OAHBAEPWQCZXCF-OKILXGFUSA-N 1 0 348.447 2.734 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000067383278 472026539 /nfs/dbraw/zinc/02/65/39/472026539.db2.gz AOBQZYPPAGCCHS-HNNXBMFYSA-N 1 0 346.387 2.782 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067536719 472047004 /nfs/dbraw/zinc/04/70/04/472047004.db2.gz OQSPSOXLAWONNV-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000067547240 472048040 /nfs/dbraw/zinc/04/80/40/472048040.db2.gz IIDNTAVHNUEBTJ-HNNXBMFYSA-N 1 0 349.412 2.698 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000067632037 472063275 /nfs/dbraw/zinc/06/32/75/472063275.db2.gz PZVZDZKXPAFPHR-GFCCVEGCSA-N 1 0 330.388 2.536 20 5 EFBDRO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000054174631 472065465 /nfs/dbraw/zinc/06/54/65/472065465.db2.gz MTWWQVCBBQURDK-UHFFFAOYSA-N 1 0 338.367 2.506 20 5 EFBDRO CNc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000024812710 472069153 /nfs/dbraw/zinc/06/91/53/472069153.db2.gz XPHDISWKZUBXLN-UHFFFAOYSA-N 1 0 328.372 2.950 20 5 EFBDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000054281586 472071516 /nfs/dbraw/zinc/07/15/16/472071516.db2.gz ANPLPDDJMAVTTL-UHFFFAOYSA-N 1 0 327.384 2.765 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000025280602 472088075 /nfs/dbraw/zinc/08/80/75/472088075.db2.gz HPZPJALVRHAOOZ-UHFFFAOYSA-N 1 0 340.427 2.825 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000067795421 472090699 /nfs/dbraw/zinc/09/06/99/472090699.db2.gz QVSIFWLYUJPHLW-KRWDZBQOSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000025328794 472090767 /nfs/dbraw/zinc/09/07/67/472090767.db2.gz BUWYKHFBYXIPQX-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000067795422 472090996 /nfs/dbraw/zinc/09/09/96/472090996.db2.gz QVSIFWLYUJPHLW-QGZVFWFLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccsc1 ZINC000042075234 472110940 /nfs/dbraw/zinc/11/09/40/472110940.db2.gz HNRIYEFRTPVSBE-CQSZACIVSA-N 1 0 336.417 2.797 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000025784437 472111453 /nfs/dbraw/zinc/11/14/53/472111453.db2.gz PUYRVTIJXVYJJN-AWEZNQCLSA-N 1 0 333.413 2.618 20 5 EFBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054761051 472112806 /nfs/dbraw/zinc/11/28/06/472112806.db2.gz HDWPIKPOIJBCEO-UHFFFAOYSA-N 1 0 342.399 2.526 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054804771 472116650 /nfs/dbraw/zinc/11/66/50/472116650.db2.gz GBJFARYTTOXGIS-AWEZNQCLSA-N 1 0 348.447 2.905 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131952 472139868 /nfs/dbraw/zinc/13/98/68/472139868.db2.gz FFEHXGLVCFFPHX-AWEZNQCLSA-N 1 0 335.379 2.824 20 5 EFBDRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068134758 472140612 /nfs/dbraw/zinc/14/06/12/472140612.db2.gz YIVNCHSTHMFSFK-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042558363 472144345 /nfs/dbraw/zinc/14/43/45/472144345.db2.gz ZTRXYRIHVFHNEJ-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000075505659 472146493 /nfs/dbraw/zinc/14/64/93/472146493.db2.gz KMBSOHRZMOTLKA-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075502584 472146936 /nfs/dbraw/zinc/14/69/36/472146936.db2.gz YSXCAJAWVVMVIX-AWEZNQCLSA-N 1 0 332.404 2.935 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000075607020 472166787 /nfs/dbraw/zinc/16/67/87/472166787.db2.gz QKAWSPGWKDMCKY-ZDUSSCGKSA-N 1 0 327.340 2.813 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000075607015 472167203 /nfs/dbraw/zinc/16/72/03/472167203.db2.gz QKAWSPGWKDMCKY-CYBMUJFWSA-N 1 0 327.340 2.813 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000042764290 472168384 /nfs/dbraw/zinc/16/83/84/472168384.db2.gz DRTIDTAWSRFGKR-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000027583171 472184525 /nfs/dbraw/zinc/18/45/25/472184525.db2.gz DFBHKQOARLWVOR-CYBMUJFWSA-N 1 0 333.413 2.559 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000068414864 472185663 /nfs/dbraw/zinc/18/56/63/472185663.db2.gz DETRSYDMIPORBN-AWEZNQCLSA-N 1 0 348.428 2.731 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000068443361 472193331 /nfs/dbraw/zinc/19/33/31/472193331.db2.gz NZWHTDGNEVWCKC-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000075756525 472193618 /nfs/dbraw/zinc/19/36/18/472193618.db2.gz JWZNLPXVIZKSPT-UHFFFAOYSA-N 1 0 337.383 2.833 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000027752983 472194152 /nfs/dbraw/zinc/19/41/52/472194152.db2.gz KWYFEWKTAPXPRT-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000043121951 472201661 /nfs/dbraw/zinc/20/16/61/472201661.db2.gz HIRQFMNTWYSLSM-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO COc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000075836553 472203918 /nfs/dbraw/zinc/20/39/18/472203918.db2.gz VJKMRWJUIXFJHU-INIZCTEOSA-N 1 0 333.432 2.911 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836284 472204544 /nfs/dbraw/zinc/20/45/44/472204544.db2.gz WDVICMPVXJYTIR-INIZCTEOSA-N 1 0 333.432 2.781 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055748452 472233101 /nfs/dbraw/zinc/23/31/01/472233101.db2.gz SQUYZRPCBULYDW-RBSFLKMASA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085289349 472236022 /nfs/dbraw/zinc/23/60/22/472236022.db2.gz AQLCWURXHZMQLQ-ZDUSSCGKSA-N 1 0 335.448 2.965 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000068798934 472245151 /nfs/dbraw/zinc/24/51/51/472245151.db2.gz KJAQKSHQRWEGIJ-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000068801094 472246729 /nfs/dbraw/zinc/24/67/29/472246729.db2.gz MZOJCSXSCJEVSP-UHFFFAOYSA-N 1 0 346.431 2.725 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179162 472257498 /nfs/dbraw/zinc/25/74/98/472257498.db2.gz BKRRQUBTWMMEAW-MRXNPFEDSA-N 1 0 342.399 2.500 20 5 EFBDRO Cc1nn(C)c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000076065074 472257697 /nfs/dbraw/zinc/25/76/97/472257697.db2.gz UDYBDWJUSMKPGW-MRXNPFEDSA-N 1 0 343.431 2.595 20 5 EFBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000029177274 472257734 /nfs/dbraw/zinc/25/77/34/472257734.db2.gz ATVDIVYHKZLQMS-CQSZACIVSA-N 1 0 329.356 2.755 20 5 EFBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000029177273 472258034 /nfs/dbraw/zinc/25/80/34/472258034.db2.gz ATVDIVYHKZLQMS-AWEZNQCLSA-N 1 0 329.356 2.755 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C(C)C)CC1 ZINC000069084060 472288984 /nfs/dbraw/zinc/28/89/84/472288984.db2.gz KVXTZKMQDATZMY-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076159253 472289835 /nfs/dbraw/zinc/28/98/35/472289835.db2.gz SLRZIOFVKHHPSB-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO COc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000076169632 472290006 /nfs/dbraw/zinc/29/00/06/472290006.db2.gz GUKZZXLUBMXNHZ-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044311491 472296950 /nfs/dbraw/zinc/29/69/50/472296950.db2.gz JOUFRPAIZDHVSJ-JTQLQIEISA-N 1 0 325.415 2.751 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)c(C)c2)CC1 ZINC000029842919 472298764 /nfs/dbraw/zinc/29/87/64/472298764.db2.gz FPKYPZIBWZFDPC-UHFFFAOYSA-N 1 0 344.419 2.522 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044515600 472312945 /nfs/dbraw/zinc/31/29/45/472312945.db2.gz QQYKDEFJPVWSQT-LBPRGKRZSA-N 1 0 339.461 2.779 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087218822 472315938 /nfs/dbraw/zinc/31/59/38/472315938.db2.gz JFQRJXBGTDRNLB-MRXNPFEDSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087218823 472316329 /nfs/dbraw/zinc/31/63/29/472316329.db2.gz JFQRJXBGTDRNLB-INIZCTEOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000056465503 472324097 /nfs/dbraw/zinc/32/40/97/472324097.db2.gz NSQVVRVJKITLAE-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO Cc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000030363282 472329423 /nfs/dbraw/zinc/32/94/23/472329423.db2.gz IFQRHQCWPUULDA-UHFFFAOYSA-N 1 0 339.395 2.691 20 5 EFBDRO COc1ccc(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000069368615 472330815 /nfs/dbraw/zinc/33/08/15/472330815.db2.gz ORHXMISBXXMCPP-CQSZACIVSA-N 1 0 349.431 2.527 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087402196 472333006 /nfs/dbraw/zinc/33/30/06/472333006.db2.gz LJJHQYPHEIXSMQ-INIZCTEOSA-N 1 0 333.432 2.860 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000044716925 472335381 /nfs/dbraw/zinc/33/53/81/472335381.db2.gz XEWMBFHMSCKVDK-NSHDSACASA-N 1 0 325.434 2.532 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056786855 472351390 /nfs/dbraw/zinc/35/13/90/472351390.db2.gz YTLXWRKEWCMIQA-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000056787829 472351651 /nfs/dbraw/zinc/35/16/51/472351651.db2.gz DOGNFRHJNUSRNZ-LSDHHAIUSA-N 1 0 348.447 2.857 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000088250678 472352544 /nfs/dbraw/zinc/35/25/44/472352544.db2.gz YEOOABIUAPVDOD-CMDGGOBGSA-N 1 0 343.383 2.791 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076485702 472354512 /nfs/dbraw/zinc/35/45/12/472354512.db2.gz SQPUMONKFBORHP-UFXRLHEYSA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031229907 472368072 /nfs/dbraw/zinc/36/80/72/472368072.db2.gz JIFFBMRCNMBEJR-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000031231184 472368440 /nfs/dbraw/zinc/36/84/40/472368440.db2.gz UKMRAAJHSOAJAI-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069629549 472385445 /nfs/dbraw/zinc/38/54/45/472385445.db2.gz HSOVOZUSCAUBEP-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000076694167 472385736 /nfs/dbraw/zinc/38/57/36/472385736.db2.gz VXERQBNWPUCWBH-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO CNC(=O)c1ccc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000057148308 472385977 /nfs/dbraw/zinc/38/59/77/472385977.db2.gz GWWVHXRPIAPGEV-MELADBBJSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000613389713 479984084 /nfs/dbraw/zinc/98/40/84/479984084.db2.gz LDBLQVGEIHTQLH-KDOFPFPSSA-N 1 0 330.384 2.728 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000031654275 472386368 /nfs/dbraw/zinc/38/63/68/472386368.db2.gz NLDPXCVYDDZPBT-LLVKDONJSA-N 1 0 333.388 2.805 20 5 EFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388725 479984417 /nfs/dbraw/zinc/98/44/17/479984417.db2.gz CUFRYTQCJZLMQH-LRDDRELGSA-N 1 0 341.367 2.990 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000069688621 472397244 /nfs/dbraw/zinc/39/72/44/472397244.db2.gz YMWZADVXLJEYGI-ZDUSSCGKSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000613388715 479984937 /nfs/dbraw/zinc/98/49/37/479984937.db2.gz CUFRYTQCJZLMQH-BLLLJJGKSA-N 1 0 341.367 2.990 20 5 EFBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000154218391 472403240 /nfs/dbraw/zinc/40/32/40/472403240.db2.gz KEKLDKYXDVLGCD-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO COc1cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613389998 479985849 /nfs/dbraw/zinc/98/58/49/479985849.db2.gz PNAFICCZFIYTSS-BLLLJJGKSA-N 1 0 348.374 2.997 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000057376037 472422446 /nfs/dbraw/zinc/42/24/46/472422446.db2.gz PXYLWDLOQXZSHC-MRXNPFEDSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045623494 472435415 /nfs/dbraw/zinc/43/54/15/472435415.db2.gz GVIPZULCUZLGAV-HNNXBMFYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000077140399 472458328 /nfs/dbraw/zinc/45/83/28/472458328.db2.gz UCUXREDVWAYJNL-AWEZNQCLSA-N 1 0 342.399 2.660 20 5 EFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000032734195 472461208 /nfs/dbraw/zinc/46/12/08/472461208.db2.gz AHIGRWGCQUZYPT-QGZVFWFLSA-N 1 0 344.415 2.528 20 5 EFBDRO CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032758302 472463732 /nfs/dbraw/zinc/46/37/32/472463732.db2.gz SKNNAUZSTLXCNR-KRWDZBQOSA-N 1 0 330.384 2.857 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618314 472470258 /nfs/dbraw/zinc/47/02/58/472470258.db2.gz QEFNQVHBVMPPDT-ZYHUDNBSSA-N 1 0 345.321 2.717 20 5 EFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000045851946 472475344 /nfs/dbraw/zinc/47/53/44/472475344.db2.gz COMUORUHMLYIRY-INIZCTEOSA-N 1 0 340.855 2.932 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089643952 472475862 /nfs/dbraw/zinc/47/58/62/472475862.db2.gz QOEUEVYLKMTLPS-ZWKOTPCHSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)cc1 ZINC000057829767 472481241 /nfs/dbraw/zinc/48/12/41/472481241.db2.gz PDNCEWDHPMHFNY-OAHLLOKOSA-N 1 0 329.404 2.886 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000033083801 472495717 /nfs/dbraw/zinc/49/57/17/472495717.db2.gz WOBKQBGBMURKTC-MDZDMXLPSA-N 1 0 339.395 2.986 20 5 EFBDRO CNc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000033084217 472496043 /nfs/dbraw/zinc/49/60/43/472496043.db2.gz NBIMRFZDUQEVTL-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cccc1[N+](=O)[O-] ZINC000128855667 472504981 /nfs/dbraw/zinc/50/49/81/472504981.db2.gz OHBOWIXAWIAGJB-CYBMUJFWSA-N 1 0 343.383 2.618 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000070745813 472507602 /nfs/dbraw/zinc/50/76/02/472507602.db2.gz DXEFCOSPGZZCAP-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058262111 472527262 /nfs/dbraw/zinc/52/72/62/472527262.db2.gz AZWHJSKHDVOXOS-GQCTYLIASA-N 1 0 335.379 2.595 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC[NH+]1CCCC1 ZINC000089899840 472540016 /nfs/dbraw/zinc/54/00/16/472540016.db2.gz INIONGAWPMXIKT-CYBMUJFWSA-N 1 0 345.403 2.733 20 5 EFBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO[C@@H]1C1CC1 ZINC000613426160 479994967 /nfs/dbraw/zinc/99/49/67/479994967.db2.gz SVQOHEZTRKRCBV-QZTJIDSGSA-N 1 0 348.399 2.661 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000046365913 472548037 /nfs/dbraw/zinc/54/80/37/472548037.db2.gz UFVLEKFZAGSIAF-GJZGRUSLSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119354829 472549104 /nfs/dbraw/zinc/54/91/04/472549104.db2.gz ZUEGZHPXSSRTBI-TZMCWYRMSA-N 1 0 335.404 2.859 20 5 EFBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc[nH]1 ZINC000155456193 472552301 /nfs/dbraw/zinc/55/23/01/472552301.db2.gz NSKMPNBPYPQZKE-UHFFFAOYSA-N 1 0 334.401 2.996 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO[C@H]1C1CC1 ZINC000613426163 479995789 /nfs/dbraw/zinc/99/57/89/479995789.db2.gz SVQOHEZTRKRCBV-ROUUACIJSA-N 1 0 348.399 2.661 20 5 EFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000119586799 472567579 /nfs/dbraw/zinc/56/75/79/472567579.db2.gz NYQTUWYEBSPGAY-RISCZKNCSA-N 1 0 337.807 2.739 20 5 EFBDRO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000058440648 472570173 /nfs/dbraw/zinc/57/01/73/472570173.db2.gz XAXDAYBFGDYSGG-UHFFFAOYSA-N 1 0 346.387 2.969 20 5 EFBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090047004 472585649 /nfs/dbraw/zinc/58/56/49/472585649.db2.gz SWFJXDLTEBNPIO-YJBOKZPZSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccn1 ZINC000130186235 472588145 /nfs/dbraw/zinc/58/81/45/472588145.db2.gz GZQVZNAMKFJGJP-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccccc3)CC2)cn1 ZINC000046778039 472598532 /nfs/dbraw/zinc/59/85/32/472598532.db2.gz CDYKSDWMCTZXSK-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000155716322 472602095 /nfs/dbraw/zinc/60/20/95/472602095.db2.gz CYULOKPDFYQVIU-OAHLLOKOSA-N 1 0 337.445 2.711 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1F ZINC000046835967 472608045 /nfs/dbraw/zinc/60/80/45/472608045.db2.gz RAHMGYGGOKXNSK-MRXNPFEDSA-N 1 0 348.374 2.743 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1 ZINC000071920541 472621404 /nfs/dbraw/zinc/62/14/04/472621404.db2.gz LRNANZQRUXPYHE-UHFFFAOYSA-N 1 0 342.399 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000130687516 472622095 /nfs/dbraw/zinc/62/20/95/472622095.db2.gz RLGXAFIQXLFMHO-UHFFFAOYSA-N 1 0 341.358 2.724 20 5 EFBDRO CC[NH+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000072000278 472627774 /nfs/dbraw/zinc/62/77/74/472627774.db2.gz VMOKPSNSGWMXCP-UHFFFAOYSA-N 1 0 346.334 2.660 20 5 EFBDRO CC[NH+]1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000120104534 472631686 /nfs/dbraw/zinc/63/16/86/472631686.db2.gz DVUBYPFRQXPZQC-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 ZINC000090550747 472633589 /nfs/dbraw/zinc/63/35/89/472633589.db2.gz MJSQNKNSHXRRLP-QAPCUYQASA-N 1 0 341.411 2.882 20 5 EFBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550816 472633742 /nfs/dbraw/zinc/63/37/42/472633742.db2.gz DZVIKGWUYNTIDO-SUMWQHHRSA-N 1 0 345.374 2.979 20 5 EFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120143987 472639049 /nfs/dbraw/zinc/63/90/49/472639049.db2.gz PBTHYWMBNHYXOH-AWEZNQCLSA-N 1 0 348.334 2.590 20 5 EFBDRO CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090689403 472652741 /nfs/dbraw/zinc/65/27/41/472652741.db2.gz MHDKKHFIMRCBAW-KRWDZBQOSA-N 1 0 346.431 2.783 20 5 EFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000060407259 472653555 /nfs/dbraw/zinc/65/35/55/472653555.db2.gz UYSQBBVKSILIMI-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)C(C)C ZINC000120239246 472655121 /nfs/dbraw/zinc/65/51/21/472655121.db2.gz WCSKASNQMXPLFO-LLVKDONJSA-N 1 0 337.376 2.628 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000104097159 472656932 /nfs/dbraw/zinc/65/69/32/472656932.db2.gz BAQKLAQCEYVPNS-YDZSZYSISA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000156036592 472658578 /nfs/dbraw/zinc/65/85/78/472658578.db2.gz SBIOYGJSWGXHGL-CHWSQXEVSA-N 1 0 342.399 2.698 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000156054337 472660049 /nfs/dbraw/zinc/66/00/49/472660049.db2.gz XHSAWTWNUSQVKT-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO CCO[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000156064905 472660827 /nfs/dbraw/zinc/66/08/27/472660827.db2.gz UWUREOYOJNERDP-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000047145595 472661325 /nfs/dbraw/zinc/66/13/25/472661325.db2.gz CFVFQXUPRVDELY-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000047146266 472661664 /nfs/dbraw/zinc/66/16/64/472661664.db2.gz BUSUYDYDOMBXOE-CYBMUJFWSA-N 1 0 337.445 2.535 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104412410 472670451 /nfs/dbraw/zinc/67/04/51/472670451.db2.gz FYYNABXVMLNBOF-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000047213804 472670752 /nfs/dbraw/zinc/67/07/52/472670752.db2.gz RMNLIMPTAJHWGM-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156150249 472671385 /nfs/dbraw/zinc/67/13/85/472671385.db2.gz MDNIKJXWGCGPEO-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000060759020 472676852 /nfs/dbraw/zinc/67/68/52/472676852.db2.gz AVYHZUHZZURZIU-HOTGVXAUSA-N 1 0 344.415 2.526 20 5 EFBDRO CC(C)[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](C)C ZINC000131551768 472677419 /nfs/dbraw/zinc/67/74/19/472677419.db2.gz FLGPLKBIAKMWNT-HNNXBMFYSA-N 1 0 331.376 2.510 20 5 EFBDRO C[C@@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000104661144 472679969 /nfs/dbraw/zinc/67/99/69/472679969.db2.gz SQAZKUKFIJQJAF-CHWSQXEVSA-N 1 0 331.372 2.902 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000072573898 472680750 /nfs/dbraw/zinc/68/07/50/472680750.db2.gz QSIWGHCAIBERFH-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCO1 ZINC000104683387 472684600 /nfs/dbraw/zinc/68/46/00/472684600.db2.gz CGJLDKAEKGRHMB-HNNXBMFYSA-N 1 0 331.372 2.903 20 5 EFBDRO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000061051093 472688592 /nfs/dbraw/zinc/68/85/92/472688592.db2.gz JSUCAUGCQVIAPA-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3ccccc3F)C2)nc1 ZINC000072665084 472696722 /nfs/dbraw/zinc/69/67/22/472696722.db2.gz YZIQDUSYRAKUQW-ZDUSSCGKSA-N 1 0 346.362 2.694 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000047388296 472702430 /nfs/dbraw/zinc/70/24/30/472702430.db2.gz QAEOMEAHRSIPKI-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047416717 472707328 /nfs/dbraw/zinc/70/73/28/472707328.db2.gz PVVYZPDVIYLWKC-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078429063 472714242 /nfs/dbraw/zinc/71/42/42/472714242.db2.gz MKFZEONNOCOKEZ-UHFFFAOYSA-N 1 0 341.411 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132179240 472718817 /nfs/dbraw/zinc/71/88/17/472718817.db2.gz OFDBWDHUWOCYDE-INIZCTEOSA-N 1 0 334.416 2.655 20 5 EFBDRO CC(C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000105177230 472730509 /nfs/dbraw/zinc/73/05/09/472730509.db2.gz OCKLPPSLZQOKKT-KRWDZBQOSA-N 1 0 348.447 2.557 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177142 472731726 /nfs/dbraw/zinc/73/17/26/472731726.db2.gz JRCMINJQQJUEIO-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000132524372 472739547 /nfs/dbraw/zinc/73/95/47/472739547.db2.gz OHGYHZMPYFHIIZ-LJQANCHMSA-N 1 0 342.395 2.787 20 5 EFBDRO Cc1cnc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000078632068 472745773 /nfs/dbraw/zinc/74/57/73/472745773.db2.gz INNULXVOMZQJBG-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000105442947 472752203 /nfs/dbraw/zinc/75/22/03/472752203.db2.gz AZRKSHFSLNFBMA-GFCCVEGCSA-N 1 0 348.403 2.543 20 5 EFBDRO O=[N+]([O-])c1sccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000063256222 472761334 /nfs/dbraw/zinc/76/13/34/472761334.db2.gz DBQFJBAADURYMV-UHFFFAOYSA-N 1 0 346.456 2.886 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000091457494 472769320 /nfs/dbraw/zinc/76/93/20/472769320.db2.gz WYVXTZUYWKVJNE-CYBMUJFWSA-N 1 0 348.403 2.695 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000091476434 472771216 /nfs/dbraw/zinc/77/12/16/472771216.db2.gz WDXXBEYRZLFIAQ-HNNXBMFYSA-N 1 0 349.479 2.839 20 5 EFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000091478884 472771243 /nfs/dbraw/zinc/77/12/43/472771243.db2.gz VZINTOXJBNXSKZ-GASCZTMLSA-N 1 0 333.432 2.920 20 5 EFBDRO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000091480257 472772269 /nfs/dbraw/zinc/77/22/69/472772269.db2.gz YTEBZKYVFABIBD-IBGZPJMESA-N 1 0 340.427 2.995 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000063496414 472782562 /nfs/dbraw/zinc/78/25/62/472782562.db2.gz VXVGYFLJQJBMGD-UHFFFAOYSA-N 1 0 337.420 2.836 20 5 EFBDRO CCC[C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000121042203 472787857 /nfs/dbraw/zinc/78/78/57/472787857.db2.gz FGWIDIFXVOUOCZ-LBPRGKRZSA-N 1 0 349.387 2.774 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000063834535 472818232 /nfs/dbraw/zinc/81/82/32/472818232.db2.gz LJHAMALHJKPLJN-LBPRGKRZSA-N 1 0 337.445 2.777 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000133587092 472820724 /nfs/dbraw/zinc/82/07/24/472820724.db2.gz SPTHTDQFQZWCLS-LLVKDONJSA-N 1 0 331.214 2.562 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000063852055 472821676 /nfs/dbraw/zinc/82/16/76/472821676.db2.gz JDNJSVPAKYJLEG-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000063852522 472822161 /nfs/dbraw/zinc/82/21/61/472822161.db2.gz JPZMTALGCULWKK-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000091899062 472823269 /nfs/dbraw/zinc/82/32/69/472823269.db2.gz CGCLJSKNKYQSLR-FZMZJTMJSA-N 1 0 343.221 2.950 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121312511 472833513 /nfs/dbraw/zinc/83/35/13/472833513.db2.gz CUDQDPKTCXQWGN-VQIMIIECSA-N 1 0 348.491 2.909 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121312864 472834093 /nfs/dbraw/zinc/83/40/93/472834093.db2.gz CUDQDPKTCXQWGN-QFBILLFUSA-N 1 0 348.491 2.909 20 5 EFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000121361452 472842250 /nfs/dbraw/zinc/84/22/50/472842250.db2.gz IOCTUOHFJLQCRC-LBPRGKRZSA-N 1 0 329.194 2.872 20 5 EFBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000092047007 472847667 /nfs/dbraw/zinc/84/76/67/472847667.db2.gz NQXGCGKYKNYQGL-HNNXBMFYSA-N 1 0 349.431 2.672 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000064381660 472849422 /nfs/dbraw/zinc/84/94/22/472849422.db2.gz MPXFJJCXRQSGIV-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000121470115 472857154 /nfs/dbraw/zinc/85/71/54/472857154.db2.gz XIIQQOJZAFEKRP-UHFFFAOYSA-N 1 0 348.447 2.999 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000064808015 472878563 /nfs/dbraw/zinc/87/85/63/472878563.db2.gz LOJIRNIFYSLINI-UHFFFAOYSA-N 1 0 333.388 2.949 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000064808027 472878763 /nfs/dbraw/zinc/87/87/63/472878763.db2.gz WMUGSFLKTNPKON-UHFFFAOYSA-N 1 0 333.388 2.949 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000079553992 472885267 /nfs/dbraw/zinc/88/52/67/472885267.db2.gz WVHFTCFDAAJSHB-HIFRSBDPSA-N 1 0 342.399 2.706 20 5 EFBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000073842882 472886988 /nfs/dbraw/zinc/88/69/88/472886988.db2.gz OIQLHQATJVIFNT-INIZCTEOSA-N 1 0 339.395 2.989 20 5 EFBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000073842883 472887125 /nfs/dbraw/zinc/88/71/25/472887125.db2.gz OIQLHQATJVIFNT-MRXNPFEDSA-N 1 0 339.395 2.989 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)C(C)(C)C ZINC000134392747 472902304 /nfs/dbraw/zinc/90/23/04/472902304.db2.gz FSEBQAFLPYCHIH-ZDUSSCGKSA-N 1 0 343.811 2.526 20 5 EFBDRO Cn1cc(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000158217259 472908895 /nfs/dbraw/zinc/90/88/95/472908895.db2.gz QCZPJNFEXLYHRO-KRWDZBQOSA-N 1 0 328.416 2.872 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000079694284 472909267 /nfs/dbraw/zinc/90/92/67/472909267.db2.gz ODGYURLEZPEXDX-XHDPSFHLSA-N 1 0 337.445 2.532 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158243829 472913032 /nfs/dbraw/zinc/91/30/32/472913032.db2.gz KXVJHYXQOAKOMS-ZWNOBZJWSA-N 1 0 345.321 2.799 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000121841840 472928085 /nfs/dbraw/zinc/92/80/85/472928085.db2.gz PKLIWKHQQAJDEI-HUUCEWRRSA-N 1 0 348.403 2.753 20 5 EFBDRO Cc1nn(C)c(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000079871873 472934263 /nfs/dbraw/zinc/93/42/63/472934263.db2.gz IYRTUSAKTPITHG-UHFFFAOYSA-N 1 0 343.431 2.886 20 5 EFBDRO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000079872514 472934627 /nfs/dbraw/zinc/93/46/27/472934627.db2.gz XZSUEAGLKOQFLQ-GOSISDBHSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000107262594 472936077 /nfs/dbraw/zinc/93/60/77/472936077.db2.gz JJWIKACJJRFHRR-UHFFFAOYSA-N 1 0 342.399 2.502 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000065440842 472943192 /nfs/dbraw/zinc/94/31/92/472943192.db2.gz ZVXUZSDVRGWHKX-ZIAGYGMSSA-N 1 0 334.420 2.685 20 5 EFBDRO CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000074139380 472948982 /nfs/dbraw/zinc/94/89/82/472948982.db2.gz VWWGLNAJLPXRBY-UHFFFAOYSA-N 1 0 349.431 2.552 20 5 EFBDRO CC(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000074139414 472949021 /nfs/dbraw/zinc/94/90/21/472949021.db2.gz WYNRTFUEHABRNZ-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079985112 472953853 /nfs/dbraw/zinc/95/38/53/472953853.db2.gz XHPIRSVEHAEHAI-KBPBESRZSA-N 1 0 334.420 2.829 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092656374 472954924 /nfs/dbraw/zinc/95/49/24/472954924.db2.gz HKIKILCLYSEBIO-CYBMUJFWSA-N 1 0 329.347 2.973 20 5 EFBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000092655504 472954990 /nfs/dbraw/zinc/95/49/90/472954990.db2.gz QQHXIIIQJZYSTN-LLVKDONJSA-N 1 0 333.417 2.650 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121984247 472959077 /nfs/dbraw/zinc/95/90/77/472959077.db2.gz AVFZOUFLNRGJPT-YGRLFVJLSA-N 1 0 325.796 2.519 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065535661 472969718 /nfs/dbraw/zinc/96/97/18/472969718.db2.gz JWSDXMYOPYIBIY-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO CCCNC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092733856 472973317 /nfs/dbraw/zinc/97/33/17/472973317.db2.gz UKYABIPMSAQKHH-WHWKNOJMSA-N 1 0 331.416 2.846 20 5 EFBDRO Cc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000050009214 472974125 /nfs/dbraw/zinc/97/41/25/472974125.db2.gz BXBHWYYCSZFTJU-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCOC1 ZINC000107689294 472975611 /nfs/dbraw/zinc/97/56/11/472975611.db2.gz HUNPPTVVJPXQNT-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO CC[N@H+](CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000080109811 472977694 /nfs/dbraw/zinc/97/76/94/472977694.db2.gz IQZISANTQZGFHU-UHFFFAOYSA-N 1 0 336.436 2.859 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134865817 472978309 /nfs/dbraw/zinc/97/83/09/472978309.db2.gz MNNUZQGVTNNEJN-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074287072 472978760 /nfs/dbraw/zinc/97/87/60/472978760.db2.gz YPOQNBQKULTRMQ-LSDHHAIUSA-N 1 0 346.387 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158927474 472980109 /nfs/dbraw/zinc/98/01/09/472980109.db2.gz RAYJMHMBQSJONX-RDJZCZTQSA-N 1 0 335.448 2.647 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000092826957 472994801 /nfs/dbraw/zinc/99/48/01/472994801.db2.gz ZABWQADQWOOVLV-ZDUSSCGKSA-N 1 0 333.392 2.733 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000159192638 473007182 /nfs/dbraw/zinc/00/71/82/473007182.db2.gz NDGSOFDBWYRWRD-HNNXBMFYSA-N 1 0 333.413 2.575 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000159220331 473008488 /nfs/dbraw/zinc/00/84/88/473008488.db2.gz UUVHQKMPCCNQME-MRXNPFEDSA-N 1 0 340.383 2.806 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000080343468 473015849 /nfs/dbraw/zinc/01/58/49/473015849.db2.gz QOYMEQQSFUEVEA-HSZRJFAPSA-N 1 0 334.397 2.631 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108432018 473026768 /nfs/dbraw/zinc/02/67/68/473026768.db2.gz LGDZFEOBMQJNFV-LLVKDONJSA-N 1 0 338.795 2.854 20 5 EFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135169139 473031322 /nfs/dbraw/zinc/03/13/22/473031322.db2.gz YCAVWNCXWWGAQN-SFHVURJKSA-N 1 0 339.395 2.747 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000074726293 473052768 /nfs/dbraw/zinc/05/27/68/473052768.db2.gz ZOCAEADARJAPLE-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000080644635 473062196 /nfs/dbraw/zinc/06/21/96/473062196.db2.gz IUWUXNLKOSHLMX-CQSZACIVSA-N 1 0 349.431 2.654 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000122838824 473063864 /nfs/dbraw/zinc/06/38/64/473063864.db2.gz CRYGVYQFUDZROV-OLZOCXBDSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000135375467 473064315 /nfs/dbraw/zinc/06/43/15/473064315.db2.gz ABGGXVHSQTTXLY-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO COc1cc(NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000135384949 473064676 /nfs/dbraw/zinc/06/46/76/473064676.db2.gz UDWOUZSJIIZXSE-UHFFFAOYSA-N 1 0 346.387 2.551 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000122839903 473065018 /nfs/dbraw/zinc/06/50/18/473065018.db2.gz JRFBVDOPDSTPCW-LLVKDONJSA-N 1 0 338.408 2.701 20 5 EFBDRO CCc1cc(N(C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000080684913 473069494 /nfs/dbraw/zinc/06/94/94/473069494.db2.gz ZFGRMRDJUYGCNX-UHFFFAOYSA-N 1 0 329.404 2.612 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])c1 ZINC000135449429 473074750 /nfs/dbraw/zinc/07/47/50/473074750.db2.gz FDCPQKGHDJZUIO-LBPRGKRZSA-N 1 0 326.418 2.810 20 5 EFBDRO CCOc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000080775340 473082913 /nfs/dbraw/zinc/08/29/13/473082913.db2.gz ZBYIWWRZVSOMGD-KBPBESRZSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377616 473084415 /nfs/dbraw/zinc/08/44/15/473084415.db2.gz GKKAZPXVMQDRIG-RKVPGOIHSA-N 1 0 333.432 2.668 20 5 EFBDRO COCCN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123008048 473084706 /nfs/dbraw/zinc/08/47/06/473084706.db2.gz UPTGJKABUNZISA-UHFFFAOYSA-N 1 0 345.399 2.619 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000066377611 473084761 /nfs/dbraw/zinc/08/47/61/473084761.db2.gz WHQCLXPZWFAFCB-FCEWJHQRSA-N 1 0 347.459 2.711 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377614 473085017 /nfs/dbraw/zinc/08/50/17/473085017.db2.gz GKKAZPXVMQDRIG-DAYGRLMNSA-N 1 0 333.432 2.668 20 5 EFBDRO Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000123080584 473095655 /nfs/dbraw/zinc/09/56/55/473095655.db2.gz AVUWXUNACJCRKH-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160274906 473103259 /nfs/dbraw/zinc/10/32/59/473103259.db2.gz SFARSYNNMLGWQI-CQSZACIVSA-N 1 0 349.431 2.845 20 5 EFBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000135678988 473105982 /nfs/dbraw/zinc/10/59/82/473105982.db2.gz ATDSGKQAJGXZOO-INIZCTEOSA-N 1 0 339.367 2.563 20 5 EFBDRO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+](C)C ZINC000135706289 473107819 /nfs/dbraw/zinc/10/78/19/473107819.db2.gz FAOGCYWLTUFOCW-LBPRGKRZSA-N 1 0 346.431 2.711 20 5 EFBDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000093454589 473109571 /nfs/dbraw/zinc/10/95/71/473109571.db2.gz RMQMJANECSYMBE-KRWDZBQOSA-N 1 0 344.415 2.582 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000136084728 473134177 /nfs/dbraw/zinc/13/41/77/473134177.db2.gz HYCQUGPYRWBEFF-UHFFFAOYSA-N 1 0 334.372 2.972 20 5 EFBDRO C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123409905 473138076 /nfs/dbraw/zinc/13/80/76/473138076.db2.gz BXNIJQQNEWCKNN-LLVKDONJSA-N 1 0 331.397 2.644 20 5 EFBDRO C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123410101 473138146 /nfs/dbraw/zinc/13/81/46/473138146.db2.gz BXNIJQQNEWCKNN-NSHDSACASA-N 1 0 331.397 2.644 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160555138 473142057 /nfs/dbraw/zinc/14/20/57/473142057.db2.gz QEWATEKFLFOAID-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081124984 473151639 /nfs/dbraw/zinc/15/16/39/473151639.db2.gz QOVLQMKGSXRRGP-MRXNPFEDSA-N 1 0 339.395 2.941 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000110438684 473157436 /nfs/dbraw/zinc/15/74/36/473157436.db2.gz PEVPQCFZWLIGIE-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000094007923 473167360 /nfs/dbraw/zinc/16/73/60/473167360.db2.gz RQYRVQVSIAMTQP-RKDXNWHRSA-N 1 0 329.198 2.647 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1O ZINC000136702502 473172722 /nfs/dbraw/zinc/17/27/22/473172722.db2.gz LEBHJNRPDBQWCB-ZDUSSCGKSA-N 1 0 336.388 2.890 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000094125259 473178880 /nfs/dbraw/zinc/17/88/80/473178880.db2.gz NJILKMVRKRJQSF-HNNXBMFYSA-N 1 0 331.416 2.734 20 5 EFBDRO CCOc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000066948232 473183165 /nfs/dbraw/zinc/18/31/65/473183165.db2.gz RRLKEYKMCJQYGY-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000081333992 473186523 /nfs/dbraw/zinc/18/65/23/473186523.db2.gz SRJNZPPHKUGIDN-ROJDOSBLSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000081333991 473186799 /nfs/dbraw/zinc/18/67/99/473186799.db2.gz SRJNZPPHKUGIDN-FDMDGMSGSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000081334784 473186867 /nfs/dbraw/zinc/18/68/67/473186867.db2.gz DXUYMZQAMUUWDI-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000123847486 473192821 /nfs/dbraw/zinc/19/28/21/473192821.db2.gz FMDJKFFOBQAXHD-GFCCVEGCSA-N 1 0 347.419 2.711 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113129 473194979 /nfs/dbraw/zinc/19/49/79/473194979.db2.gz CHVBFRKZOOYONL-FRFSOERESA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000137113075 473195179 /nfs/dbraw/zinc/19/51/79/473195179.db2.gz CHVBFRKZOOYONL-YSVLISHTSA-N 1 0 346.431 2.782 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000125382883 473401993 /nfs/dbraw/zinc/40/19/93/473401993.db2.gz RUHKNSIRJNKLDX-QAPCUYQASA-N 1 0 343.427 2.613 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163016628 473406314 /nfs/dbraw/zinc/40/63/14/473406314.db2.gz LGVPKOCJLHNUKM-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171618402 473422601 /nfs/dbraw/zinc/42/26/01/473422601.db2.gz NXNUBJQIDIZXDC-GFCCVEGCSA-N 1 0 345.378 2.651 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177725822 473424660 /nfs/dbraw/zinc/42/46/60/473424660.db2.gz LKLJYYVYGQMDSS-MNOVXSKESA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000113941902 473425755 /nfs/dbraw/zinc/42/57/55/473425755.db2.gz LMURQUNNALPWLI-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1[N+](=O)[O-] ZINC000177762082 473430019 /nfs/dbraw/zinc/43/00/19/473430019.db2.gz YMFBOICUOKEMRO-CVEARBPZSA-N 1 0 331.416 2.856 20 5 EFBDRO CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163293515 473431137 /nfs/dbraw/zinc/43/11/37/473431137.db2.gz XMLXFSKGYCPKMD-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177800302 473438081 /nfs/dbraw/zinc/43/80/81/473438081.db2.gz WYJMHNYRYFSPPD-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185526569 473449398 /nfs/dbraw/zinc/44/93/98/473449398.db2.gz WAFHFKVZYKMISI-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000125736679 473451765 /nfs/dbraw/zinc/45/17/65/473451765.db2.gz XSFNGHOYBQMNLB-CYBMUJFWSA-N 1 0 325.368 2.835 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCSC1 ZINC000163539415 473453113 /nfs/dbraw/zinc/45/31/13/473453113.db2.gz YSEKLFXHVIGRFY-HNNXBMFYSA-N 1 0 349.456 2.523 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000163791185 473465268 /nfs/dbraw/zinc/46/52/68/473465268.db2.gz HYAMUTBUVOBNOZ-OAHLLOKOSA-N 1 0 333.432 2.682 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000151526098 473469394 /nfs/dbraw/zinc/46/93/94/473469394.db2.gz IRADRSDWIGGLPA-CZUORRHYSA-N 1 0 332.404 2.851 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178163356 473471518 /nfs/dbraw/zinc/47/15/18/473471518.db2.gz FGFMHYMOQUBGSE-OAHLLOKOSA-N 1 0 331.416 2.866 20 5 EFBDRO COc1cccc(NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000185647772 473477248 /nfs/dbraw/zinc/47/72/48/473477248.db2.gz SFIVICQXZNZAAM-UHFFFAOYSA-N 1 0 346.387 2.551 20 5 EFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114508294 473477247 /nfs/dbraw/zinc/47/72/47/473477247.db2.gz LRGWVZDFRYGPHW-SFHVURJKSA-N 1 0 346.383 2.609 20 5 EFBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000114643907 473488858 /nfs/dbraw/zinc/48/88/58/473488858.db2.gz NJRIBBBHMLKYSQ-GOSISDBHSA-N 1 0 339.395 2.989 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185693127 473490032 /nfs/dbraw/zinc/49/00/32/473490032.db2.gz IYZNOBXMKRFSJR-UHFFFAOYSA-N 1 0 327.384 2.910 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331134 473492576 /nfs/dbraw/zinc/49/25/76/473492576.db2.gz PCUDECDIVNUQEI-MSOLQXFVSA-N 1 0 335.448 2.992 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000191163590 473494407 /nfs/dbraw/zinc/49/44/07/473494407.db2.gz BKZSLBRKMKUITP-UHFFFAOYSA-N 1 0 335.404 2.518 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000126316998 473507344 /nfs/dbraw/zinc/50/73/44/473507344.db2.gz FTYZNBMJDUIUMF-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO Cc1c(Br)c(NCC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000165843279 473516178 /nfs/dbraw/zinc/51/61/78/473516178.db2.gz LSOSAWKITDPDDQ-UHFFFAOYSA-N 1 0 343.225 2.862 20 5 EFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000191248879 473517758 /nfs/dbraw/zinc/51/77/58/473517758.db2.gz GEYSGIGTWCWSRY-UHFFFAOYSA-N 1 0 331.372 2.517 20 5 EFBDRO C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897673 473542515 /nfs/dbraw/zinc/54/25/15/473542515.db2.gz UJRNBEBKCBEHSO-ZBEGNZNMSA-N 1 0 347.802 2.995 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000152400219 473558537 /nfs/dbraw/zinc/55/85/37/473558537.db2.gz VKRDLHVNRYONBS-MRXNPFEDSA-N 1 0 343.383 2.684 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191660340 473564973 /nfs/dbraw/zinc/56/49/73/473564973.db2.gz AHKKTJNHIHQMPB-SFHVURJKSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000191660322 473565004 /nfs/dbraw/zinc/56/50/04/473565004.db2.gz AHKKTJNHIHQMPB-GOSISDBHSA-N 1 0 349.431 2.715 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115442287 473569744 /nfs/dbraw/zinc/56/97/44/473569744.db2.gz UAYFWHQAJMOHPT-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115442277 473570009 /nfs/dbraw/zinc/57/00/09/473570009.db2.gz OOUVFDBLCHRDBQ-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000115440551 473570736 /nfs/dbraw/zinc/57/07/36/473570736.db2.gz QBDLPUZBSPQTDR-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000115439912 473571149 /nfs/dbraw/zinc/57/11/49/473571149.db2.gz WQRMXQNVQIRNRO-STMXVASLSA-N 1 0 335.379 2.547 20 5 EFBDRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000170691614 473589131 /nfs/dbraw/zinc/58/91/31/473589131.db2.gz XPIIBIGKEXYNEC-CYBMUJFWSA-N 1 0 335.404 2.549 20 5 EFBDRO CCOCCO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000178924126 473592306 /nfs/dbraw/zinc/59/23/06/473592306.db2.gz YPFUGJKJDSZBIR-INIZCTEOSA-N 1 0 338.404 2.621 20 5 EFBDRO Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000172415798 473604624 /nfs/dbraw/zinc/60/46/24/473604624.db2.gz VRFARQMSRRIBNP-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172421080 473606637 /nfs/dbraw/zinc/60/66/37/473606637.db2.gz ZTCJCUIMENKRSM-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153222516 473613986 /nfs/dbraw/zinc/61/39/86/473613986.db2.gz VMSSBYCOZAXYMQ-RWMBFGLXSA-N 1 0 333.388 2.662 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000179050882 473618534 /nfs/dbraw/zinc/61/85/34/473618534.db2.gz MHFFHCRGTKVTSX-MRXNPFEDSA-N 1 0 339.395 2.733 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000172489001 473623319 /nfs/dbraw/zinc/62/33/19/473623319.db2.gz HVJAMEWYSRRENM-INIZCTEOSA-N 1 0 348.447 2.559 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000179122066 473633048 /nfs/dbraw/zinc/63/30/48/473633048.db2.gz UUEYAPVMBNCNPP-AWEZNQCLSA-N 1 0 336.388 2.910 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1[N+](=O)[O-] ZINC000153940802 473652772 /nfs/dbraw/zinc/65/27/72/473652772.db2.gz WAWKJYWDRKUKDI-WCQYABFASA-N 1 0 328.434 2.758 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1[N+](=O)[O-] ZINC000153940639 473652923 /nfs/dbraw/zinc/65/29/23/473652923.db2.gz WAWKJYWDRKUKDI-AAEUAGOBSA-N 1 0 328.434 2.758 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)nc1 ZINC000153966443 473654867 /nfs/dbraw/zinc/65/48/67/473654867.db2.gz SFZCKDYIZHZLRX-CYBMUJFWSA-N 1 0 348.353 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)nc1 ZINC000153966326 473655523 /nfs/dbraw/zinc/65/55/23/473655523.db2.gz SFZCKDYIZHZLRX-ZDUSSCGKSA-N 1 0 348.353 2.997 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127842200 473656481 /nfs/dbraw/zinc/65/64/81/473656481.db2.gz LNWBBTDGQMBYCB-CQSZACIVSA-N 1 0 349.431 2.581 20 5 EFBDRO Cc1c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000154025777 473660744 /nfs/dbraw/zinc/66/07/44/473660744.db2.gz ZSMBVZUORZIZHU-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000179341740 473677069 /nfs/dbraw/zinc/67/70/69/473677069.db2.gz CQEOXERKUPCGRG-MRXNPFEDSA-N 1 0 331.416 2.641 20 5 EFBDRO O=C(c1ccc(F)cc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000192473331 473683641 /nfs/dbraw/zinc/68/36/41/473683641.db2.gz JBVCWNIIYFWXBL-UHFFFAOYSA-N 1 0 346.362 2.525 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000192506540 473687176 /nfs/dbraw/zinc/68/71/76/473687176.db2.gz WGGNWKKWMLEIAG-UHFFFAOYSA-N 1 0 344.419 2.591 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000192513926 473687343 /nfs/dbraw/zinc/68/73/43/473687343.db2.gz ITTFGCMCOUKGPS-CQSZACIVSA-N 1 0 335.383 2.974 20 5 EFBDRO CCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179495093 473691231 /nfs/dbraw/zinc/69/12/31/473691231.db2.gz BXRLRNHOVRAGMG-UHFFFAOYSA-N 1 0 343.431 2.523 20 5 EFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610922 473696292 /nfs/dbraw/zinc/69/62/92/473696292.db2.gz PKWKVCIVIAJYOG-IEBWSBKVSA-N 1 0 347.459 2.919 20 5 EFBDRO CC1(C)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186607531 473698306 /nfs/dbraw/zinc/69/83/06/473698306.db2.gz ORJKSXWRRIWJNJ-AWEZNQCLSA-N 1 0 326.418 2.537 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000245446669 473703210 /nfs/dbraw/zinc/70/32/10/473703210.db2.gz LIINTOPFQOKGBE-XJKSGUPXSA-N 1 0 329.400 2.748 20 5 EFBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC[NH+](C2CC2)CC1 ZINC000192692416 473706117 /nfs/dbraw/zinc/70/61/17/473706117.db2.gz RGJRVKSONGUBEM-UHFFFAOYSA-N 1 0 340.383 2.956 20 5 EFBDRO CC(C)(C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000269173560 473718309 /nfs/dbraw/zinc/71/83/09/473718309.db2.gz KMDVYJCIMKTODF-INIZCTEOSA-N 1 0 327.384 2.689 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173015181 473727074 /nfs/dbraw/zinc/72/70/74/473727074.db2.gz BNFJMJWCAKYRNX-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269202741 473730358 /nfs/dbraw/zinc/73/03/58/473730358.db2.gz YEEXVNNZYYKNBS-UHFFFAOYSA-N 1 0 331.372 2.803 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262880745 473733287 /nfs/dbraw/zinc/73/32/87/473733287.db2.gz NJLAKCWMZFIMHI-ZYHUDNBSSA-N 1 0 346.412 2.589 20 5 EFBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000179823533 473735467 /nfs/dbraw/zinc/73/54/67/473735467.db2.gz RFQCAVDOWWHOSD-UHFFFAOYSA-N 1 0 343.383 2.813 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269230625 473740602 /nfs/dbraw/zinc/74/06/02/473740602.db2.gz VOTRRDYLPYXPRB-NXEZZACHSA-N 1 0 345.321 2.732 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173138334 473753823 /nfs/dbraw/zinc/75/38/23/473753823.db2.gz BKYINNRLGNMZGJ-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000281578016 473771542 /nfs/dbraw/zinc/77/15/42/473771542.db2.gz KVNVLEPSTUSLGH-LRDDRELGSA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173230288 473776300 /nfs/dbraw/zinc/77/63/00/473776300.db2.gz FLRLWXYIWZIADC-QLFBSQMISA-N 1 0 333.432 2.620 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000193272019 473778588 /nfs/dbraw/zinc/77/85/88/473778588.db2.gz CFJWXQPWVCHWBB-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO C[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315936 473780456 /nfs/dbraw/zinc/78/04/56/473780456.db2.gz YUPUPENTONXKJZ-AWEZNQCLSA-N 1 0 334.347 2.606 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186928763 473782938 /nfs/dbraw/zinc/78/29/38/473782938.db2.gz ATROEEHELRIXEG-UHFFFAOYSA-N 1 0 333.413 2.698 20 5 EFBDRO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193382546 473785318 /nfs/dbraw/zinc/78/53/18/473785318.db2.gz KXYIMRPYPSHWBW-ZDUSSCGKSA-N 1 0 346.431 2.829 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193389105 473785597 /nfs/dbraw/zinc/78/55/97/473785597.db2.gz KEMZCGXZBBSGIP-UHFFFAOYSA-N 1 0 349.412 2.986 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193472098 473789016 /nfs/dbraw/zinc/78/90/16/473789016.db2.gz XAOVHPNFTFYNPQ-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO Cn1c(Cl)cnc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281657948 473798482 /nfs/dbraw/zinc/79/84/82/473798482.db2.gz KOKFMLNBMXQUBU-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193676646 473800012 /nfs/dbraw/zinc/80/00/12/473800012.db2.gz GUZKTTRYQWYQSV-UHFFFAOYSA-N 1 0 332.404 2.764 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000281669223 473800908 /nfs/dbraw/zinc/80/09/08/473800908.db2.gz LLIXWCRCLGGDDU-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO CC(C)N(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br ZINC000274380511 473801232 /nfs/dbraw/zinc/80/12/32/473801232.db2.gz SNGPLMQQHIFGTE-UHFFFAOYSA-N 1 0 331.214 2.529 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000269419634 473806368 /nfs/dbraw/zinc/80/63/68/473806368.db2.gz XDXCHAYACAFNCX-UHFFFAOYSA-N 1 0 331.376 2.755 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274415421 473813038 /nfs/dbraw/zinc/81/30/38/473813038.db2.gz CPDDRJIKCAWFIF-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173382984 473820804 /nfs/dbraw/zinc/82/08/04/473820804.db2.gz XNEIQMOCCVGWML-KDOFPFPSSA-N 1 0 330.384 2.823 20 5 EFBDRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173410772 473830248 /nfs/dbraw/zinc/83/02/48/473830248.db2.gz NXWHIGQKSMMIDY-NSHDSACASA-N 1 0 349.337 2.954 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288041657 473832097 /nfs/dbraw/zinc/83/20/97/473832097.db2.gz DLQMMJWXINAXPR-HNNXBMFYSA-N 1 0 329.404 2.806 20 5 EFBDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173418410 473832657 /nfs/dbraw/zinc/83/26/57/473832657.db2.gz IGGYAIZAZCVINL-CYBMUJFWSA-N 1 0 344.367 2.997 20 5 EFBDRO C[NH+](C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000194050998 473833304 /nfs/dbraw/zinc/83/33/04/473833304.db2.gz XPAZZIYVHMTMDP-UHFFFAOYSA-N 1 0 333.413 2.976 20 5 EFBDRO CN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000263754281 473834651 /nfs/dbraw/zinc/83/46/51/473834651.db2.gz PVBFFASXMUIBBC-GFCCVEGCSA-N 1 0 331.397 2.644 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173437039 473837899 /nfs/dbraw/zinc/83/78/99/473837899.db2.gz FTZCEPRKCXGGEV-CYBMUJFWSA-N 1 0 327.384 2.848 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173437019 473838524 /nfs/dbraw/zinc/83/85/24/473838524.db2.gz FTZCEPRKCXGGEV-ZDUSSCGKSA-N 1 0 327.384 2.848 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000288085849 473842772 /nfs/dbraw/zinc/84/27/72/473842772.db2.gz GDNKUONBNQERMQ-OCCSQVGLSA-N 1 0 329.356 2.581 20 5 EFBDRO COCCC[NH+]1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000263776760 473844685 /nfs/dbraw/zinc/84/46/85/473844685.db2.gz KXIQWAOLNQUIHJ-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000194118504 473845811 /nfs/dbraw/zinc/84/58/11/473845811.db2.gz JVGOFCVHWIUYMC-LBPRGKRZSA-N 1 0 337.445 2.628 20 5 EFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000269624039 473846324 /nfs/dbraw/zinc/84/63/24/473846324.db2.gz FLEHOJLQUXONDC-UHFFFAOYSA-N 1 0 346.475 2.585 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173506981 473859979 /nfs/dbraw/zinc/85/99/79/473859979.db2.gz AYKWJKXYJDMZRB-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000281861984 473863577 /nfs/dbraw/zinc/86/35/77/473863577.db2.gz MXENMADPWDGDRY-UHFFFAOYSA-N 1 0 343.225 2.674 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180393110 473866402 /nfs/dbraw/zinc/86/64/02/473866402.db2.gz AFGAAVKLGMIZLN-WFASDCNBSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1c(CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000269703943 473868306 /nfs/dbraw/zinc/86/83/06/473868306.db2.gz MQPANYBDUPYVMH-MRXNPFEDSA-N 1 0 333.432 2.779 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000281880959 473869812 /nfs/dbraw/zinc/86/98/12/473869812.db2.gz GFTWLGNJWDVLDS-SWLSCSKDSA-N 1 0 348.403 2.551 20 5 EFBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)NC1CC1 ZINC000263835588 473870391 /nfs/dbraw/zinc/87/03/91/473870391.db2.gz WUEPVDKVIFFMCV-UHFFFAOYSA-N 1 0 331.397 2.692 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000281895942 473875257 /nfs/dbraw/zinc/87/52/57/473875257.db2.gz HMXBTUAGRJYNLP-STQMWFEESA-N 1 0 337.445 2.663 20 5 EFBDRO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180428006 473875813 /nfs/dbraw/zinc/87/58/13/473875813.db2.gz MNPOEDCYQKQUAO-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000288208583 473876192 /nfs/dbraw/zinc/87/61/92/473876192.db2.gz LKLYFIUVSHQXPC-UKRRQHHQSA-N 1 0 329.404 2.712 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435935 473876504 /nfs/dbraw/zinc/87/65/04/473876504.db2.gz KIFOWHMDYUPPDD-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180435974 473877005 /nfs/dbraw/zinc/87/70/05/473877005.db2.gz DHZXIQHSQZDTDR-WFASDCNBSA-N 1 0 336.413 2.885 20 5 EFBDRO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180434720 473877210 /nfs/dbraw/zinc/87/72/10/473877210.db2.gz BELQBKGCBXKKKR-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000263861356 473881059 /nfs/dbraw/zinc/88/10/59/473881059.db2.gz VXKYZLZKGQWMCS-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246499930 473881142 /nfs/dbraw/zinc/88/11/42/473881142.db2.gz HODWYJOKSHEMQQ-DOTOQJQBSA-N 1 0 345.443 2.922 20 5 EFBDRO O=C(CC[N@@H+]1CCOC2(CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173584252 473883808 /nfs/dbraw/zinc/88/38/08/473883808.db2.gz KVSUGUCQGUBYRL-UHFFFAOYSA-N 1 0 347.415 2.959 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263870362 473885048 /nfs/dbraw/zinc/88/50/48/473885048.db2.gz FGODLIPDDMZGRV-OLZOCXBDSA-N 1 0 339.461 2.922 20 5 EFBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000281925659 473886244 /nfs/dbraw/zinc/88/62/44/473886244.db2.gz QRVXMKLEIZXSIW-UHFFFAOYSA-N 1 0 343.225 2.674 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000246585670 473909232 /nfs/dbraw/zinc/90/92/32/473909232.db2.gz GJONRYUEQDXOMP-NEPJUHHUSA-N 1 0 349.387 2.630 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000281995214 473910584 /nfs/dbraw/zinc/91/05/84/473910584.db2.gz PWJCSMAMZKBYCD-DZGCQCFKSA-N 1 0 348.403 2.742 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000281995224 473911078 /nfs/dbraw/zinc/91/10/78/473911078.db2.gz PWJCSMAMZKBYCD-ZFWWWQNUSA-N 1 0 348.403 2.742 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263954587 473918403 /nfs/dbraw/zinc/91/84/03/473918403.db2.gz RKNJKTHXPOXAFK-SNVBAGLBSA-N 1 0 334.763 2.991 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000288419649 473937685 /nfs/dbraw/zinc/93/76/85/473937685.db2.gz NSFNJYVXRYVARB-CQSZACIVSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288485869 473956793 /nfs/dbraw/zinc/95/67/93/473956793.db2.gz RFVLSGUNIYLELI-GXTWGEPZSA-N 1 0 342.399 2.775 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288489764 473957160 /nfs/dbraw/zinc/95/71/60/473957160.db2.gz RLWVWKWAXUDZGZ-ZIAGYGMSSA-N 1 0 347.415 2.692 20 5 EFBDRO CCOC(CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OCC ZINC000264383616 473971193 /nfs/dbraw/zinc/97/11/93/473971193.db2.gz XPQPTQWULURTFQ-UHFFFAOYSA-N 1 0 326.393 2.872 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000188077807 473973921 /nfs/dbraw/zinc/97/39/21/473973921.db2.gz BLSMGYCVHDIOBY-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282194312 473977962 /nfs/dbraw/zinc/97/79/62/473977962.db2.gz CERKRCCQMIHFNF-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000194955616 473981883 /nfs/dbraw/zinc/98/18/83/473981883.db2.gz CGRXEJOTBSEBOR-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174101807 473986162 /nfs/dbraw/zinc/98/61/62/473986162.db2.gz OPXBGOOXJQNFNW-LBPRGKRZSA-N 1 0 328.796 2.733 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1O ZINC000288592797 473993743 /nfs/dbraw/zinc/99/37/43/473993743.db2.gz OTRPAPZRJHODID-GFCCVEGCSA-N 1 0 330.340 2.575 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264462253 474001513 /nfs/dbraw/zinc/00/15/13/474001513.db2.gz JEFQTYIMJWJVGW-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO CSc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000188164368 474004820 /nfs/dbraw/zinc/00/48/20/474004820.db2.gz SIQNTHXIYJOGMB-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000195123292 474011358 /nfs/dbraw/zinc/01/13/58/474011358.db2.gz LQSYDDGBRACPHT-NSHDSACASA-N 1 0 333.413 2.881 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCc2occc2C1 ZINC000288721270 474030912 /nfs/dbraw/zinc/03/09/12/474030912.db2.gz FWDBPIFDIDFIFC-LBPRGKRZSA-N 1 0 329.356 2.963 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N(C)Cc1cccs1 ZINC000282356445 474034859 /nfs/dbraw/zinc/03/48/59/474034859.db2.gz CWIRNIKDYKWNLB-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181501739 474040160 /nfs/dbraw/zinc/04/01/60/474040160.db2.gz OBSIPPBYPPUYDR-DZGCQCFKSA-N 1 0 331.416 2.978 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181570186 474048340 /nfs/dbraw/zinc/04/83/40/474048340.db2.gz SYEHBCVRBGKASX-VXGBXAGGSA-N 1 0 329.356 2.978 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181582710 474049851 /nfs/dbraw/zinc/04/98/51/474049851.db2.gz TYDZXEXGTFLVDQ-LBPRGKRZSA-N 1 0 329.356 2.980 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264590560 474050405 /nfs/dbraw/zinc/05/04/05/474050405.db2.gz WCLIBUZNQUGAHA-HNNXBMFYSA-N 1 0 349.456 2.774 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1Br ZINC000275054170 474053981 /nfs/dbraw/zinc/05/39/81/474053981.db2.gz MSCILOSTWDSHKU-DGCLKSJQSA-N 1 0 343.221 2.998 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1Br ZINC000275054174 474054228 /nfs/dbraw/zinc/05/42/28/474054228.db2.gz MSCILOSTWDSHKU-YPMHNXCESA-N 1 0 343.221 2.998 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275055058 474056306 /nfs/dbraw/zinc/05/63/06/474056306.db2.gz IWWMLFOTLUMNAT-HZPDHXFCSA-N 1 0 339.436 2.746 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000195347470 474064016 /nfs/dbraw/zinc/06/40/16/474064016.db2.gz ZLRHYXFABZJZKX-CYBMUJFWSA-N 1 0 343.431 2.978 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264623458 474064602 /nfs/dbraw/zinc/06/46/02/474064602.db2.gz SCMIGOGDZBWYMU-AWEZNQCLSA-N 1 0 342.399 2.777 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264632038 474067789 /nfs/dbraw/zinc/06/77/89/474067789.db2.gz RNBUCXXUDFKAFV-IUODEOHRSA-N 1 0 345.403 2.732 20 5 EFBDRO COc1cccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000195443610 474075664 /nfs/dbraw/zinc/07/56/64/474075664.db2.gz DXPINBHFEFQVCZ-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CC1 ZINC000282468023 474076316 /nfs/dbraw/zinc/07/63/16/474076316.db2.gz WCXPXELRXGCTBO-VERVWZFWSA-N 1 0 342.486 2.966 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275164899 474091231 /nfs/dbraw/zinc/09/12/31/474091231.db2.gz VKRHCKJJMKJKEF-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000188427966 474092128 /nfs/dbraw/zinc/09/21/28/474092128.db2.gz MNLDGPIFUSBGOK-AWEZNQCLSA-N 1 0 349.431 2.716 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000182069711 474092133 /nfs/dbraw/zinc/09/21/33/474092133.db2.gz LFPACCWOLFEKRG-LBPRGKRZSA-N 1 0 333.413 2.907 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000182066307 474092220 /nfs/dbraw/zinc/09/22/20/474092220.db2.gz QVYBEXIIZWVTKM-GFCCVEGCSA-N 1 0 333.413 2.907 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000182090250 474097189 /nfs/dbraw/zinc/09/71/89/474097189.db2.gz VLOSSLVKIQMNIM-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO CCCC[N@H+](CCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182132535 474105961 /nfs/dbraw/zinc/10/59/61/474105961.db2.gz SRXGFMTVDALAOK-UHFFFAOYSA-N 1 0 334.376 2.629 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000282549199 474106973 /nfs/dbraw/zinc/10/69/73/474106973.db2.gz XAUFUNMASSBYCQ-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000275214857 474106987 /nfs/dbraw/zinc/10/69/87/474106987.db2.gz KGRRBXLZYUBQSI-GOEBONIOSA-N 1 0 335.404 2.779 20 5 EFBDRO C[C@@H](O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264766393 474120285 /nfs/dbraw/zinc/12/02/85/474120285.db2.gz ZNBJEPISMUSHLG-CYBMUJFWSA-N 1 0 345.399 2.885 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256856 474121602 /nfs/dbraw/zinc/12/16/02/474121602.db2.gz RITNNAMHBWXDCF-UONOGXRCSA-N 1 0 332.360 2.692 20 5 EFBDRO C[N@H+](CCCCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000200534569 474123364 /nfs/dbraw/zinc/12/33/64/474123364.db2.gz WAOIXMMPYDOUHU-UHFFFAOYSA-N 1 0 331.210 2.952 20 5 EFBDRO C[N@H+](CCc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182214461 474124596 /nfs/dbraw/zinc/12/45/96/474124596.db2.gz OQIKYCBTPAOWDG-INIZCTEOSA-N 1 0 330.384 2.509 20 5 EFBDRO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182233457 474129016 /nfs/dbraw/zinc/12/90/16/474129016.db2.gz DPOKSJVMZORZSW-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CN(C)C(=O)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182245774 474132376 /nfs/dbraw/zinc/13/23/76/474132376.db2.gz VIOFRHBWRIHDAL-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182292062 474142189 /nfs/dbraw/zinc/14/21/89/474142189.db2.gz IOHKXDGPZSCPAL-HOTGVXAUSA-N 1 0 345.399 2.813 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000270502839 474145202 /nfs/dbraw/zinc/14/52/02/474145202.db2.gz IEIKWWLIXHEAMM-GUYCJALGSA-N 1 0 344.415 2.835 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000270509326 474147345 /nfs/dbraw/zinc/14/73/45/474147345.db2.gz WFZHTMXHYVARNP-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO COCCCn1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289099568 474149338 /nfs/dbraw/zinc/14/93/38/474149338.db2.gz CAMNTUOPOOYWIE-UHFFFAOYSA-N 1 0 332.404 2.502 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000275342419 474151879 /nfs/dbraw/zinc/15/18/79/474151879.db2.gz RWTGKIUDPAMWNL-YOEHRIQHSA-N 1 0 330.388 2.565 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247474395 474156458 /nfs/dbraw/zinc/15/64/58/474156458.db2.gz RZZCWYXMSBROOI-YDHLFZDLSA-N 1 0 349.456 2.771 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(Cl)c1 ZINC000182359195 474157002 /nfs/dbraw/zinc/15/70/02/474157002.db2.gz WBSIRIFHHFAFIU-LBPRGKRZSA-N 1 0 335.795 2.752 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247479713 474157928 /nfs/dbraw/zinc/15/79/28/474157928.db2.gz SQPUMONKFBORHP-OOCSTFOJSA-N 1 0 331.416 2.797 20 5 EFBDRO COC(=O)[C@@H]1CC12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000264982871 474162826 /nfs/dbraw/zinc/16/28/26/474162826.db2.gz AQUPPSHGDHGBPH-INIZCTEOSA-N 1 0 348.399 2.639 20 5 EFBDRO Cc1ccccc1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270579553 474175123 /nfs/dbraw/zinc/17/51/23/474175123.db2.gz QGOHJFVZAYLYOR-HNNXBMFYSA-N 1 0 327.384 2.554 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000282793386 474197981 /nfs/dbraw/zinc/19/79/81/474197981.db2.gz HMGWFIYVHWAMJP-OLZOCXBDSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000182551179 474203224 /nfs/dbraw/zinc/20/32/24/474203224.db2.gz SFDFCKPLGSFGPX-LLVKDONJSA-N 1 0 340.426 2.781 20 5 EFBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000289302984 474216822 /nfs/dbraw/zinc/21/68/22/474216822.db2.gz BSVHUTBGGJMQMW-UHFFFAOYSA-N 1 0 349.214 2.875 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000275516056 474218807 /nfs/dbraw/zinc/21/88/07/474218807.db2.gz VUIHYPOVNWYZFA-HOTGVXAUSA-N 1 0 337.445 2.619 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000289311658 474219401 /nfs/dbraw/zinc/21/94/01/474219401.db2.gz AQKCBIMMPXJFTO-LLVKDONJSA-N 1 0 336.779 2.726 20 5 EFBDRO CC[N@H+](CCOCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000282877315 474226833 /nfs/dbraw/zinc/22/68/33/474226833.db2.gz YIVVGPSSLOWLNA-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182695444 474235692 /nfs/dbraw/zinc/23/56/92/474235692.db2.gz PHSCTFFULSVICE-ZDUSSCGKSA-N 1 0 340.445 2.927 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175500718 474237476 /nfs/dbraw/zinc/23/74/76/474237476.db2.gz NWGNNLCWNHIUCS-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000282946890 474249884 /nfs/dbraw/zinc/24/98/84/474249884.db2.gz YVAQTTKHGQUORT-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182848282 474269097 /nfs/dbraw/zinc/26/90/97/474269097.db2.gz BDXDSHBWZHMFOP-QWHCGFSZSA-N 1 0 346.431 2.560 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000182885380 474277129 /nfs/dbraw/zinc/27/71/29/474277129.db2.gz ZTPIXDLOCXCLFK-CYBMUJFWSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000182902808 474282485 /nfs/dbraw/zinc/28/24/85/474282485.db2.gz FEXSHRIXRCLBOY-QGZVFWFLSA-N 1 0 343.383 2.555 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3C[NH+]3CCCC3)cc2N1 ZINC000189079442 474285366 /nfs/dbraw/zinc/28/53/66/474285366.db2.gz AMFYQGQXEHLLMH-AWEZNQCLSA-N 1 0 344.415 2.544 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000182929586 474290328 /nfs/dbraw/zinc/29/03/28/474290328.db2.gz BVUAPAMOWUFBFB-AWEZNQCLSA-N 1 0 329.404 2.968 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000289490443 474295206 /nfs/dbraw/zinc/29/52/06/474295206.db2.gz JAIREVRYEKUKGT-IXDOHACOSA-N 1 0 332.400 2.662 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270876388 474303946 /nfs/dbraw/zinc/30/39/46/474303946.db2.gz CTIKUDPJMRKLRA-UHFFFAOYSA-N 1 0 343.225 2.719 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1O ZINC000283124824 474311609 /nfs/dbraw/zinc/31/16/09/474311609.db2.gz ZGHYKNJXMNXJQU-QGZVFWFLSA-N 1 0 346.383 2.749 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248415534 474314799 /nfs/dbraw/zinc/31/47/99/474314799.db2.gz IAGZZJRBPAIRRZ-KCMWZYNZSA-N 1 0 334.416 2.845 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265751010 474322400 /nfs/dbraw/zinc/32/24/00/474322400.db2.gz DYVAVJOLRZFSJF-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000248437826 474323018 /nfs/dbraw/zinc/32/30/18/474323018.db2.gz BOOAMFKYYFRZGR-DLBZAZTESA-N 1 0 342.395 2.824 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(CC[NH+](C)C)cc1 ZINC000289561526 474325055 /nfs/dbraw/zinc/32/50/55/474325055.db2.gz HCDSXFRTFBCVQL-UHFFFAOYSA-N 1 0 331.420 2.836 20 5 EFBDRO CC(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289578056 474330261 /nfs/dbraw/zinc/33/02/61/474330261.db2.gz HEZCFALQNSLIOQ-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO COC[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773497 474330932 /nfs/dbraw/zinc/33/09/32/474330932.db2.gz JCBHCDIZEJWNFH-RYUDHWBXSA-N 1 0 332.360 2.674 20 5 EFBDRO CS[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469524 474335774 /nfs/dbraw/zinc/33/57/74/474335774.db2.gz URRMXYFKQQLPKR-KGLIPLIRSA-N 1 0 340.445 2.552 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175902956 474336302 /nfs/dbraw/zinc/33/63/02/474336302.db2.gz PKQMGBHCCFGEDU-YUELXQCFSA-N 1 0 334.420 2.828 20 5 EFBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283237728 474346507 /nfs/dbraw/zinc/34/65/07/474346507.db2.gz JCILYUJWQXGMDD-LBPRGKRZSA-N 1 0 325.434 2.997 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCCC2)ccc1Br ZINC000289624434 474351093 /nfs/dbraw/zinc/35/10/93/474351093.db2.gz SZXYRKLOVWXAEJ-ZDUSSCGKSA-N 1 0 343.221 2.998 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000175967017 474351587 /nfs/dbraw/zinc/35/15/87/474351587.db2.gz ADOMFTMUMLMLTN-LSDHHAIUSA-N 1 0 348.447 2.995 20 5 EFBDRO COCCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237181149 474352027 /nfs/dbraw/zinc/35/20/27/474352027.db2.gz SPBHOVQAMMZXIY-UHFFFAOYSA-N 1 0 332.404 2.902 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265825743 474352209 /nfs/dbraw/zinc/35/22/09/474352209.db2.gz RYCWOHKUMPNHRS-AWEZNQCLSA-N 1 0 333.432 2.721 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000237186696 474353583 /nfs/dbraw/zinc/35/35/83/474353583.db2.gz TXCLTUIFCJNCGF-GJZGRUSLSA-N 1 0 349.387 2.618 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176000156 474359509 /nfs/dbraw/zinc/35/95/09/474359509.db2.gz DEMUWBCGQSBTKF-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000289660211 474366527 /nfs/dbraw/zinc/36/65/27/474366527.db2.gz YLYSXKRONCXDBU-UHFFFAOYSA-N 1 0 346.383 2.992 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCC1CC[NH2+]CC1 ZINC000237255959 474368288 /nfs/dbraw/zinc/36/82/88/474368288.db2.gz AQCJCPIVYKGGJG-UHFFFAOYSA-N 1 0 339.823 2.986 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])CCCCC1 ZINC000237255559 474368712 /nfs/dbraw/zinc/36/87/12/474368712.db2.gz YPOWXCGFULYXGG-UHFFFAOYSA-N 1 0 325.796 2.868 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000248587714 474369283 /nfs/dbraw/zinc/36/92/83/474369283.db2.gz QLPKNAUEVGRJKP-FTJFQDGESA-N 1 0 349.387 2.676 20 5 EFBDRO CCOC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356765 474370694 /nfs/dbraw/zinc/37/06/94/474370694.db2.gz XBQQRNXADSSBOI-CZUORRHYSA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000271022543 474371619 /nfs/dbraw/zinc/37/16/19/474371619.db2.gz ARLCFZRDZNCTDZ-CYBMUJFWSA-N 1 0 337.445 2.581 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237273410 474372351 /nfs/dbraw/zinc/37/23/51/474372351.db2.gz FXGJGIQRXXGSTP-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248615489 474377438 /nfs/dbraw/zinc/37/74/38/474377438.db2.gz YVIIXTMWADLRPL-CHWSQXEVSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000271040187 474380432 /nfs/dbraw/zinc/38/04/32/474380432.db2.gz QVVIJZIHGLXJFU-CQSZACIVSA-N 1 0 348.447 2.586 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248619921 474381245 /nfs/dbraw/zinc/38/12/45/474381245.db2.gz ZXQBXPPXXKDTSZ-GDZNZVCISA-N 1 0 349.406 2.780 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237349821 474386406 /nfs/dbraw/zinc/38/64/06/474386406.db2.gz WZUGXBGFTAVMIZ-UHFFFAOYSA-N 1 0 345.321 2.685 20 5 EFBDRO O=C(NCC[N@@H+]1CCCOCC1)c1cc2ccccc2c2cccnc12 ZINC000189406684 474387807 /nfs/dbraw/zinc/38/78/07/474387807.db2.gz AZADSLLKCQNLJH-UHFFFAOYSA-N 1 0 349.434 2.840 20 5 EFBDRO CCCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271055369 474388685 /nfs/dbraw/zinc/38/86/85/474388685.db2.gz ZLTHBQPBAXNFJQ-UHFFFAOYSA-N 1 0 326.393 2.597 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000283390099 474389527 /nfs/dbraw/zinc/38/95/27/474389527.db2.gz GJOMEPXRLVZORZ-UONOGXRCSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000283390102 474389701 /nfs/dbraw/zinc/38/97/01/474389701.db2.gz GJOMEPXRLVZORZ-ZIAGYGMSSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000265929347 474390301 /nfs/dbraw/zinc/39/03/01/474390301.db2.gz DDNWRHOCNQCBCR-LBPRGKRZSA-N 1 0 342.298 2.921 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283393434 474390729 /nfs/dbraw/zinc/39/07/29/474390729.db2.gz USFCKJQOPNVSGL-CVEARBPZSA-N 1 0 335.404 2.549 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000271064015 474391540 /nfs/dbraw/zinc/39/15/40/474391540.db2.gz CPQJUFYYZXOHEN-ZDUSSCGKSA-N 1 0 339.461 2.693 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000176137746 474391803 /nfs/dbraw/zinc/39/18/03/474391803.db2.gz KMOGZVPTXSYSJV-CHWSQXEVSA-N 1 0 334.420 2.746 20 5 EFBDRO COCC[N@H+](C)CCCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000189431687 474395368 /nfs/dbraw/zinc/39/53/68/474395368.db2.gz RIRFPOHKEYGZPV-UHFFFAOYSA-N 1 0 332.404 2.832 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000183591134 474396527 /nfs/dbraw/zinc/39/65/27/474396527.db2.gz MVKGPRHJJGJEJT-AWEZNQCLSA-N 1 0 347.375 2.787 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)CCOC ZINC000271072635 474397160 /nfs/dbraw/zinc/39/71/60/474397160.db2.gz FOOJIYGQBSUMFO-CZUORRHYSA-N 1 0 342.461 2.843 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccnc1OC ZINC000289727596 474398345 /nfs/dbraw/zinc/39/83/45/474398345.db2.gz GOLURTQUXJINFN-UHFFFAOYSA-N 1 0 331.372 2.729 20 5 EFBDRO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000189451551 474401314 /nfs/dbraw/zinc/40/13/14/474401314.db2.gz WAXUWRHGJLJPQQ-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000183633698 474404469 /nfs/dbraw/zinc/40/44/69/474404469.db2.gz HTIJUEXDZAQTCJ-UHFFFAOYSA-N 1 0 347.419 2.718 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000289752191 474409469 /nfs/dbraw/zinc/40/94/69/474409469.db2.gz KAHDYSMBRAFPOR-CYBMUJFWSA-N 1 0 334.420 2.963 20 5 EFBDRO Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000283461655 474410660 /nfs/dbraw/zinc/41/06/60/474410660.db2.gz FLDAUPJYONFWHK-UHFFFAOYSA-N 1 0 326.400 2.889 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000265981054 474411528 /nfs/dbraw/zinc/41/15/28/474411528.db2.gz AMGQMHQBYJIVJB-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1cccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176221731 474414381 /nfs/dbraw/zinc/41/43/81/474414381.db2.gz SDCMPOXUNHAMHD-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000176222138 474414421 /nfs/dbraw/zinc/41/44/21/474414421.db2.gz FYCIZXSMGCHWRD-AWEZNQCLSA-N 1 0 345.403 2.531 20 5 EFBDRO COc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000176238194 474418025 /nfs/dbraw/zinc/41/80/25/474418025.db2.gz IWXXYPBIGSHUBO-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000176249007 474421567 /nfs/dbraw/zinc/42/15/67/474421567.db2.gz NCHZRXPUXSLAQR-CJNGLKHVSA-N 1 0 332.429 2.970 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248750465 474425503 /nfs/dbraw/zinc/42/55/03/474425503.db2.gz GJRJROKHUMNAOK-KGLIPLIRSA-N 1 0 349.431 2.844 20 5 EFBDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000271183902 474427228 /nfs/dbraw/zinc/42/72/28/474427228.db2.gz YKWZRSWJENTEAU-UHFFFAOYSA-N 1 0 346.431 2.978 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289787119 474427283 /nfs/dbraw/zinc/42/72/83/474427283.db2.gz YKPXENLJYCBFGQ-ZFWWWQNUSA-N 1 0 339.823 2.841 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237561163 474429536 /nfs/dbraw/zinc/42/95/36/474429536.db2.gz WEMVJBIVKGCXJL-XHDPSFHLSA-N 1 0 332.404 2.511 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000189519921 474429692 /nfs/dbraw/zinc/42/96/92/474429692.db2.gz GXPYEOQJFWNTCD-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271186558 474429795 /nfs/dbraw/zinc/42/97/95/474429795.db2.gz KFEMGQZQLBOLMI-QGZVFWFLSA-N 1 0 336.388 2.588 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000276166804 474438098 /nfs/dbraw/zinc/43/80/98/474438098.db2.gz RNPZPQKPPVXHOT-SUMWQHHRSA-N 1 0 331.416 2.884 20 5 EFBDRO CN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000271207725 474440540 /nfs/dbraw/zinc/44/05/40/474440540.db2.gz SPUNFQDOVSDSMU-HNNXBMFYSA-N 1 0 345.424 2.986 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000283578864 474441326 /nfs/dbraw/zinc/44/13/26/474441326.db2.gz WHUAWSSTYZMCOG-KGLIPLIRSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289821908 474442695 /nfs/dbraw/zinc/44/26/95/474442695.db2.gz OEKVVYZMSQJIQK-INIZCTEOSA-N 1 0 349.431 2.837 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000266674381 474443127 /nfs/dbraw/zinc/44/31/27/474443127.db2.gz PZSWQCUDPUUEPQ-UHFFFAOYSA-N 1 0 339.395 2.941 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271211921 474444799 /nfs/dbraw/zinc/44/47/99/474444799.db2.gz VPDAHSWQWNXFOK-SFHVURJKSA-N 1 0 349.431 2.859 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000283617089 474449833 /nfs/dbraw/zinc/44/98/33/474449833.db2.gz AKDJZGQLBHCLBJ-NEPJUHHUSA-N 1 0 336.367 2.743 20 5 EFBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000271226817 474452048 /nfs/dbraw/zinc/45/20/48/474452048.db2.gz RPXPIUKQAMUBBG-UHFFFAOYSA-N 1 0 336.388 2.615 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271230144 474453261 /nfs/dbraw/zinc/45/32/61/474453261.db2.gz CYONAWOCDOGREQ-IUODEOHRSA-N 1 0 331.416 2.733 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000271274023 474469211 /nfs/dbraw/zinc/46/92/11/474469211.db2.gz BDNXDGFQJBLWEX-QGZVFWFLSA-N 1 0 330.388 2.679 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c2c(c1)COCO2 ZINC000266753624 474470959 /nfs/dbraw/zinc/47/09/59/474470959.db2.gz OORHJQTZAFUZDM-UHFFFAOYSA-N 1 0 344.371 2.564 20 5 EFBDRO [NH3+]C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000237819643 474481469 /nfs/dbraw/zinc/48/14/69/474481469.db2.gz UIZIDQNXCRBCJA-UHFFFAOYSA-N 1 0 348.447 2.955 20 5 EFBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000237830366 474484981 /nfs/dbraw/zinc/48/49/81/474484981.db2.gz IJWJLOQWUPCQEU-UHFFFAOYSA-N 1 0 325.796 2.569 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000276298675 474486538 /nfs/dbraw/zinc/48/65/38/474486538.db2.gz XUOJRPMPFKNXIW-UHFFFAOYSA-N 1 0 332.404 2.880 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000176483949 474486568 /nfs/dbraw/zinc/48/65/68/474486568.db2.gz DAWVNOCZFHHIPL-LLVKDONJSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000248935095 474487789 /nfs/dbraw/zinc/48/77/89/474487789.db2.gz YGAITUBBCZZJFZ-GXTWGEPZSA-N 1 0 345.424 2.907 20 5 EFBDRO COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC000184248498 474491657 /nfs/dbraw/zinc/49/16/57/474491657.db2.gz KXVYDGKXZYCKBK-NSHDSACASA-N 1 0 334.351 2.845 20 5 EFBDRO COc1ccccc1CN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276331906 474497937 /nfs/dbraw/zinc/49/79/37/474497937.db2.gz REPCARVNRDSZLD-UHFFFAOYSA-N 1 0 334.347 2.737 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000289948232 474499236 /nfs/dbraw/zinc/49/92/36/474499236.db2.gz PZBKFENHPPAKNO-OAHLLOKOSA-N 1 0 330.388 2.945 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176587066 474503297 /nfs/dbraw/zinc/50/32/97/474503297.db2.gz AHTMXZHRYHAADO-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237928848 474506070 /nfs/dbraw/zinc/50/60/70/474506070.db2.gz VGWOVOQSMPDULR-MRXNPFEDSA-N 1 0 330.388 2.654 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000283890748 474520827 /nfs/dbraw/zinc/52/08/27/474520827.db2.gz IUKBXYWLQJGLDW-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266900556 474522019 /nfs/dbraw/zinc/52/20/19/474522019.db2.gz UDGWDEGKGXOTEF-CQSZACIVSA-N 1 0 327.384 2.984 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189972235 474522586 /nfs/dbraw/zinc/52/25/86/474522586.db2.gz VOCONMIEKCQQQJ-HWKANZROSA-N 1 0 327.388 2.612 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238026489 474524240 /nfs/dbraw/zinc/52/42/40/474524240.db2.gz JRIUIVAGFZENAU-UHFFFAOYSA-N 1 0 339.395 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCSC3)o2)cc1 ZINC000176754077 474527054 /nfs/dbraw/zinc/52/70/54/474527054.db2.gz GQQTYDLOBYJFIK-MRXNPFEDSA-N 1 0 334.397 2.812 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000276407135 474530787 /nfs/dbraw/zinc/53/07/87/474530787.db2.gz HJMNATQKMYOIBK-UHFFFAOYSA-N 1 0 333.432 2.780 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000271423354 474539493 /nfs/dbraw/zinc/53/94/93/474539493.db2.gz CHILYTFNUZHNPA-LBPRGKRZSA-N 1 0 325.368 2.965 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266955645 474545495 /nfs/dbraw/zinc/54/54/95/474545495.db2.gz GKCOAAVJINNAKC-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271432795 474545697 /nfs/dbraw/zinc/54/56/97/474545697.db2.gz BHINKUBQSLWRKM-XHDPSFHLSA-N 1 0 343.387 2.702 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276478698 474558276 /nfs/dbraw/zinc/55/82/76/474558276.db2.gz NUZSPRAFCJQSEI-ZDUSSCGKSA-N 1 0 339.823 2.715 20 5 EFBDRO Cc1nn(C)c(NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000266997811 474559768 /nfs/dbraw/zinc/55/97/68/474559768.db2.gz DSUZGZUUUPENDQ-ZDUSSCGKSA-N 1 0 331.420 2.959 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000284081537 474567685 /nfs/dbraw/zinc/56/76/85/474567685.db2.gz RMAVHXWCLLWXFM-VXGBXAGGSA-N 1 0 336.367 2.743 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284100750 474572131 /nfs/dbraw/zinc/57/21/31/474572131.db2.gz MUKYKKWYLOZJFY-DIFFPNOSSA-N 1 0 331.372 2.570 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1OC ZINC000276826368 474572702 /nfs/dbraw/zinc/57/27/02/474572702.db2.gz FXRFDYPGINDZSW-HDICACEKSA-N 1 0 339.391 2.792 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184673680 474581126 /nfs/dbraw/zinc/58/11/26/474581126.db2.gz LDVAODMGIOLPIT-GUTXKFCHSA-N 1 0 349.406 2.923 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000184703318 474589383 /nfs/dbraw/zinc/58/93/83/474589383.db2.gz AUQQRPYMKSSMQY-HZPDHXFCSA-N 1 0 345.443 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000184733583 474597582 /nfs/dbraw/zinc/59/75/82/474597582.db2.gz DHLPMDQDVKZJAR-UKRRQHHQSA-N 1 0 333.432 2.762 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000184755124 474600666 /nfs/dbraw/zinc/60/06/66/474600666.db2.gz VCOOFXQIDPBNAF-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249692176 474605008 /nfs/dbraw/zinc/60/50/08/474605008.db2.gz VJVGGQPYNGYXLE-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO NC(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267163288 474605419 /nfs/dbraw/zinc/60/54/19/474605419.db2.gz GGJSKVMMEPVASZ-UHFFFAOYSA-N 1 0 332.404 2.513 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000249800917 474617160 /nfs/dbraw/zinc/61/71/60/474617160.db2.gz YTLXWRKEWCMIQA-KBPBESRZSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000184846165 474618845 /nfs/dbraw/zinc/61/88/45/474618845.db2.gz BSTKBIWUBHPLFN-NUEKZKHPSA-N 1 0 345.443 2.905 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000250032117 474626923 /nfs/dbraw/zinc/62/69/23/474626923.db2.gz DZBCVDRMUOIHDV-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000267266682 474632693 /nfs/dbraw/zinc/63/26/93/474632693.db2.gz LMXKZYLSARLPQY-LSDHHAIUSA-N 1 0 346.431 2.772 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000272881979 474633668 /nfs/dbraw/zinc/63/36/68/474633668.db2.gz XAZDIILWFUBMFY-AWEZNQCLSA-N 1 0 348.403 2.696 20 5 EFBDRO Cc1cc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000272886869 474634213 /nfs/dbraw/zinc/63/42/13/474634213.db2.gz DEOIPYWGFJVTKS-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000267272808 474634432 /nfs/dbraw/zinc/63/44/32/474634432.db2.gz IWPLLCAUNPWRQC-HOCLYGCPSA-N 1 0 333.432 2.861 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267281495 474636349 /nfs/dbraw/zinc/63/63/49/474636349.db2.gz KWGMCRPUSUXWLT-CHWSQXEVSA-N 1 0 331.372 2.944 20 5 EFBDRO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000272904437 474637760 /nfs/dbraw/zinc/63/77/60/474637760.db2.gz DTAGHSJSKQBFIA-UHFFFAOYSA-N 1 0 326.418 2.633 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000291679311 474648174 /nfs/dbraw/zinc/64/81/74/474648174.db2.gz XDOHQYNQNOUBAL-GXSJLCMTSA-N 1 0 349.214 2.636 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278459776 474651000 /nfs/dbraw/zinc/65/10/00/474651000.db2.gz SNIYEPAXRATOKA-SNVBAGLBSA-N 1 0 332.326 2.787 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCCCC2)cc1 ZINC000272966240 474653566 /nfs/dbraw/zinc/65/35/66/474653566.db2.gz UGTBJDXHWDPDBL-UHFFFAOYSA-N 1 0 326.418 2.538 20 5 EFBDRO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000273012517 474670420 /nfs/dbraw/zinc/67/04/20/474670420.db2.gz PBLYBHFYOWUEMV-UHFFFAOYSA-N 1 0 343.383 2.849 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267477630 474671033 /nfs/dbraw/zinc/67/10/33/474671033.db2.gz ZTIAXMWVZPMVHQ-CQSZACIVSA-N 1 0 330.388 2.966 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000273016670 474672412 /nfs/dbraw/zinc/67/24/12/474672412.db2.gz PQSKJAKLQHUWRT-BLLLJJGKSA-N 1 0 337.445 2.581 20 5 EFBDRO Cc1cccc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000273036891 474685615 /nfs/dbraw/zinc/68/56/15/474685615.db2.gz DCPNMRLWQKSSRE-INIZCTEOSA-N 1 0 339.395 2.992 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000291796118 474691972 /nfs/dbraw/zinc/69/19/72/474691972.db2.gz AHDBNTHIBFNIJI-PBHICJAKSA-N 1 0 334.416 2.845 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@]2(C)CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344369586 474694544 /nfs/dbraw/zinc/69/45/44/474694544.db2.gz CJSHHCVMIJZVPA-QGZVFWFLSA-N 1 0 330.388 2.512 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000340830572 474697983 /nfs/dbraw/zinc/69/79/83/474697983.db2.gz ZKSNUBGOHUIWSK-PZSREKOKSA-N 1 0 335.404 2.715 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1c(F)cccc1F ZINC000273087981 474709530 /nfs/dbraw/zinc/70/95/30/474709530.db2.gz IYKAYGKLUGANLZ-AWEZNQCLSA-N 1 0 338.310 2.705 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000340847920 474712745 /nfs/dbraw/zinc/71/27/45/474712745.db2.gz HWKPBJIOFDFAIX-PZSREKOKSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000344389095 474712783 /nfs/dbraw/zinc/71/27/83/474712783.db2.gz IJJYHXVDAMNVIX-OAHLLOKOSA-N 1 0 349.431 2.520 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000340854696 474718245 /nfs/dbraw/zinc/71/82/45/474718245.db2.gz WHAXNXMMJCGWDO-FABXCBLPSA-N 1 0 335.404 2.715 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000267945143 474718745 /nfs/dbraw/zinc/71/87/45/474718745.db2.gz DLMZHZDXYXFBFZ-KRWDZBQOSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000305277300 474725019 /nfs/dbraw/zinc/72/50/19/474725019.db2.gz BHQZYSFDBRXRAL-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000278597779 474726857 /nfs/dbraw/zinc/72/68/57/474726857.db2.gz ZJDIRMCYBZQZHF-HCMQPCSISA-N 1 0 348.443 2.826 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344413629 474731104 /nfs/dbraw/zinc/73/11/04/474731104.db2.gz DTVBFKIIWOAXKF-CHWSQXEVSA-N 1 0 346.431 2.724 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000305325096 474731824 /nfs/dbraw/zinc/73/18/24/474731824.db2.gz OXRMKZJQRSOQSE-MRXNPFEDSA-N 1 0 334.347 2.606 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1C1CC1 ZINC000267974053 474732595 /nfs/dbraw/zinc/73/25/95/474732595.db2.gz NBIIRAXATYLQOY-PWSUYJOCSA-N 1 0 329.356 2.696 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278633801 474746872 /nfs/dbraw/zinc/74/68/72/474746872.db2.gz LCLBJMLUKBBZDB-CABCVRRESA-N 1 0 333.432 2.841 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278633803 474746959 /nfs/dbraw/zinc/74/69/59/474746959.db2.gz LCLBJMLUKBBZDB-HUUCEWRRSA-N 1 0 333.432 2.841 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1 ZINC000268018413 474755014 /nfs/dbraw/zinc/75/50/14/474755014.db2.gz HDEFOGPNKCFVQI-LLVKDONJSA-N 1 0 333.417 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@@]3(CO)CCc4ccccc43)nc2c1 ZINC000305719962 474756605 /nfs/dbraw/zinc/75/66/05/474756605.db2.gz JFRXDBDHPILKDR-GOSISDBHSA-N 1 0 339.351 2.660 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000268029657 474759454 /nfs/dbraw/zinc/75/94/54/474759454.db2.gz MDGREYIHEJWLTF-CQSZACIVSA-N 1 0 343.358 2.822 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](CO)CC3)o2)c1 ZINC000293004886 474760995 /nfs/dbraw/zinc/76/09/95/474760995.db2.gz DEFIBAPFJBSFCL-CQSZACIVSA-N 1 0 345.399 2.887 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293008259 474762930 /nfs/dbraw/zinc/76/29/30/474762930.db2.gz DIOZRTTUDWPXAJ-KRWDZBQOSA-N 1 0 338.404 2.729 20 5 EFBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340905542 474766547 /nfs/dbraw/zinc/76/65/47/474766547.db2.gz NXWHDKAZRZJCAR-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO CC[C@]1(C)COCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340914753 474772935 /nfs/dbraw/zinc/77/29/35/474772935.db2.gz URFNOTFKTOKXOU-MRXNPFEDSA-N 1 0 332.360 2.646 20 5 EFBDRO CC(C)OCC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000254952781 474778388 /nfs/dbraw/zinc/77/83/88/474778388.db2.gz DNHRFFIRYPDNBV-ALCCZGGFSA-N 1 0 333.432 2.651 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000337217798 474793188 /nfs/dbraw/zinc/79/31/88/474793188.db2.gz AMIRVDXDXBNLFU-CQSZACIVSA-N 1 0 337.420 2.541 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268096319 474795368 /nfs/dbraw/zinc/79/53/68/474795368.db2.gz CQKUPOYSXXTXBE-HEHGZKQESA-N 1 0 346.431 2.746 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273242893 474797455 /nfs/dbraw/zinc/79/74/55/474797455.db2.gz UDBOPGPCMIVGOG-MRXNPFEDSA-N 1 0 327.384 2.774 20 5 EFBDRO CCOc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617198778 480126681 /nfs/dbraw/zinc/12/66/81/480126681.db2.gz BQNIPPSFFPXFCT-SFHVURJKSA-N 1 0 330.384 2.991 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255079331 474800079 /nfs/dbraw/zinc/80/00/79/474800079.db2.gz PQYJZGWMNUMDGR-FPLPWBNLSA-N 1 0 331.416 2.987 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000340942984 474802503 /nfs/dbraw/zinc/80/25/03/474802503.db2.gz XMVWTPIKNLTWFJ-CABCVRRESA-N 1 0 348.447 2.699 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268144975 474824606 /nfs/dbraw/zinc/82/46/06/474824606.db2.gz GDOPPGYFRUKRHY-CYBMUJFWSA-N 1 0 340.811 2.532 20 5 EFBDRO COCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273295423 474827371 /nfs/dbraw/zinc/82/73/71/474827371.db2.gz NEHNKMPLGSDIGM-JKSUJKDBSA-N 1 0 334.372 2.897 20 5 EFBDRO COCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273295415 474827949 /nfs/dbraw/zinc/82/79/49/474827949.db2.gz NEHNKMPLGSDIGM-CVEARBPZSA-N 1 0 334.372 2.897 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255326378 474835965 /nfs/dbraw/zinc/83/59/65/474835965.db2.gz BJYPXMYNFWMIMS-ZPIQOJFGSA-N 1 0 331.416 2.702 20 5 EFBDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293144457 474837544 /nfs/dbraw/zinc/83/75/44/474837544.db2.gz NRLJIHLWTXCPPY-BBRMVZONSA-N 1 0 335.404 2.669 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284977878 474850632 /nfs/dbraw/zinc/85/06/32/474850632.db2.gz GAHZFDGZMVKSMJ-TZMCWYRMSA-N 1 0 327.388 2.502 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c2c(c1)COCO2 ZINC000337279005 474854077 /nfs/dbraw/zinc/85/40/77/474854077.db2.gz GJIPMMLVMRNHRV-STQMWFEESA-N 1 0 344.314 2.711 20 5 EFBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000278823142 474854819 /nfs/dbraw/zinc/85/48/19/474854819.db2.gz CJRAZNQOTMTVRT-OAHLLOKOSA-N 1 0 338.795 2.764 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255437892 474855933 /nfs/dbraw/zinc/85/59/33/474855933.db2.gz JGGMGLDCJAQDRF-REDNKSFVSA-N 1 0 329.400 2.693 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000339035487 474863122 /nfs/dbraw/zinc/86/31/22/474863122.db2.gz CWHPPLCDQMBTLM-UHFFFAOYSA-N 1 0 333.367 2.544 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000273381957 474869953 /nfs/dbraw/zinc/86/99/53/474869953.db2.gz IMSHGFQDQNYXQT-XHDPSFHLSA-N 1 0 336.367 2.682 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C2CC2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000293221642 474875151 /nfs/dbraw/zinc/87/51/51/474875151.db2.gz XYSZLSUMBLQKLA-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO C[NH+](C)CCC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255587509 474877936 /nfs/dbraw/zinc/87/79/36/474877936.db2.gz JHSOXQAJLSMTGH-YVMONPNESA-N 1 0 331.416 2.798 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228451 474879852 /nfs/dbraw/zinc/87/98/52/474879852.db2.gz AQSPJPXXRCJTEW-GFCCVEGCSA-N 1 0 334.420 2.667 20 5 EFBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285087034 474886020 /nfs/dbraw/zinc/88/60/20/474886020.db2.gz LBXPCUUMCVSNFY-LBPRGKRZSA-N 1 0 326.418 2.603 20 5 EFBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285087028 474886173 /nfs/dbraw/zinc/88/61/73/474886173.db2.gz LBXPCUUMCVSNFY-GFCCVEGCSA-N 1 0 326.418 2.603 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255717249 474894742 /nfs/dbraw/zinc/89/47/42/474894742.db2.gz ZDGCKCQXVKGUNZ-BQUHIEPJSA-N 1 0 329.400 2.551 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000292191317 474895248 /nfs/dbraw/zinc/89/52/48/474895248.db2.gz RJIPWQJYXZUPNN-HNNXBMFYSA-N 1 0 347.415 2.590 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255741229 474897652 /nfs/dbraw/zinc/89/76/52/474897652.db2.gz NCOHBGLBSQOIPJ-GHXNOFRVSA-N 1 0 331.416 2.845 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000255768104 474901543 /nfs/dbraw/zinc/90/15/43/474901543.db2.gz FXLCLCRVSGIPDT-LXQCCHTASA-N 1 0 331.416 2.797 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285142078 474904492 /nfs/dbraw/zinc/90/44/92/474904492.db2.gz OSNVQJFRAFZTJX-HOCLYGCPSA-N 1 0 346.431 2.926 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273451892 474905729 /nfs/dbraw/zinc/90/57/29/474905729.db2.gz CVBNGTJTOLGCII-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC[C@H](C2CCC2)C1 ZINC000292212190 474906825 /nfs/dbraw/zinc/90/68/25/474906825.db2.gz UDZVVZYIZOCOQS-DZGCQCFKSA-N 1 0 347.415 2.670 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000268285174 474907115 /nfs/dbraw/zinc/90/71/15/474907115.db2.gz XYAIOKZBTPYHTO-QMTHXVAHSA-N 1 0 335.429 2.529 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293305937 474917549 /nfs/dbraw/zinc/91/75/49/474917549.db2.gz ZVLQNRKOLCIJGP-JTQLQIEISA-N 1 0 328.294 2.988 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292237531 474917918 /nfs/dbraw/zinc/91/79/18/474917918.db2.gz CUXCUQXGBQNDSU-GFCCVEGCSA-N 1 0 335.379 2.680 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncccc1[N+](=O)[O-] ZINC000268317437 474920238 /nfs/dbraw/zinc/92/02/38/474920238.db2.gz LYGHTPRMOLCHBF-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO CN(C)CC[N@H+](C)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000341055861 474923193 /nfs/dbraw/zinc/92/31/93/474923193.db2.gz ZWMBCSMLYWGOEZ-UHFFFAOYSA-N 1 0 348.369 2.909 20 5 EFBDRO CC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273484192 474924333 /nfs/dbraw/zinc/92/43/33/474924333.db2.gz VDNZAYJWHAPYEQ-SWLSCSKDSA-N 1 0 326.418 2.537 20 5 EFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273484188 474924387 /nfs/dbraw/zinc/92/43/87/474924387.db2.gz VDNZAYJWHAPYEQ-DOMZBBRYSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000273545940 474956957 /nfs/dbraw/zinc/95/69/57/474956957.db2.gz UXPDMKAWLLRTKL-CQSZACIVSA-N 1 0 348.447 2.509 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000273549659 474958405 /nfs/dbraw/zinc/95/84/05/474958405.db2.gz VFVDPABRXALRPE-HZPDHXFCSA-N 1 0 349.456 2.555 20 5 EFBDRO COc1ccnc(CN(C)CCc2ccccc2[N+](=O)[O-])c1OC ZINC000285307173 474966140 /nfs/dbraw/zinc/96/61/40/474966140.db2.gz LRGZSZNKEGPTKD-UHFFFAOYSA-N 1 0 331.372 2.682 20 5 EFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324478739 474968789 /nfs/dbraw/zinc/96/87/89/474968789.db2.gz CJQGLJKLBKLTMN-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324572771 474971133 /nfs/dbraw/zinc/97/11/33/474971133.db2.gz XCLYQLWVEZGWSL-QGZVFWFLSA-N 1 0 330.384 2.687 20 5 EFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285324089 474972869 /nfs/dbraw/zinc/97/28/69/474972869.db2.gz TZSGTMOSNJHMSH-BBRMVZONSA-N 1 0 329.400 2.740 20 5 EFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285324101 474972921 /nfs/dbraw/zinc/97/29/21/474972921.db2.gz TZSGTMOSNJHMSH-CZUORRHYSA-N 1 0 329.400 2.740 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327942 474974068 /nfs/dbraw/zinc/97/40/68/474974068.db2.gz UEAOVMBMQMVKGH-GFCCVEGCSA-N 1 0 334.420 2.619 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000324690722 474975469 /nfs/dbraw/zinc/97/54/69/474975469.db2.gz SUWCFZNNOTWIPG-LBPRGKRZSA-N 1 0 328.372 2.979 20 5 EFBDRO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273590468 474978929 /nfs/dbraw/zinc/97/89/29/474978929.db2.gz HFOIUFPBBMVILM-GOEBONIOSA-N 1 0 341.415 2.874 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285345489 474980697 /nfs/dbraw/zinc/98/06/97/474980697.db2.gz PEFJYTZXBCYCRF-QGZVFWFLSA-N 1 0 345.355 2.711 20 5 EFBDRO COc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000261550454 474982647 /nfs/dbraw/zinc/98/26/47/474982647.db2.gz NJLYLWMCSZUMGK-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CC(C)(CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000273598130 474983181 /nfs/dbraw/zinc/98/31/81/474983181.db2.gz IVWYSWODIXJQKL-UHFFFAOYSA-N 1 0 327.388 2.634 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339158795 474986022 /nfs/dbraw/zinc/98/60/22/474986022.db2.gz VBFDZDDBZYSAGL-VIFPVBQESA-N 1 0 343.305 2.580 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000285355121 474986072 /nfs/dbraw/zinc/98/60/72/474986072.db2.gz ABOPNSMAMFVKOB-JSGCOSHPSA-N 1 0 330.388 2.795 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000285355134 474987590 /nfs/dbraw/zinc/98/75/90/474987590.db2.gz ABOPNSMAMFVKOB-TZMCWYRMSA-N 1 0 330.388 2.795 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000337414672 474991322 /nfs/dbraw/zinc/99/13/22/474991322.db2.gz OXHJPPIFFMXPKG-YPMHNXCESA-N 1 0 343.330 2.673 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCSCC3)CCCCC2)nc1 ZINC000273614264 474991721 /nfs/dbraw/zinc/99/17/21/474991721.db2.gz MSLSGPKRLDRLTP-UHFFFAOYSA-N 1 0 337.449 2.548 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261606689 474993230 /nfs/dbraw/zinc/99/32/30/474993230.db2.gz ACCGYUKEHGCUGQ-MNOVXSKESA-N 1 0 346.412 2.528 20 5 EFBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC(CO)CC1 ZINC000268461371 474993428 /nfs/dbraw/zinc/99/34/28/474993428.db2.gz PIEYUVJJVTYVPO-UHFFFAOYSA-N 1 0 346.387 2.628 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000325837848 474995069 /nfs/dbraw/zinc/99/50/69/474995069.db2.gz QYFCKMWKONAHRT-NWDGAFQWSA-N 1 0 345.321 2.889 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc2c1CC[NH2+]C2 ZINC000325799001 474995215 /nfs/dbraw/zinc/99/52/15/474995215.db2.gz NWZKHPVDAXLYGY-UHFFFAOYSA-N 1 0 325.368 2.513 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261613028 474996949 /nfs/dbraw/zinc/99/69/49/474996949.db2.gz DZNIDCCAFVERLD-MRXNPFEDSA-N 1 0 325.368 2.520 20 5 EFBDRO CCc1nocc1CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293475943 474998215 /nfs/dbraw/zinc/99/82/15/474998215.db2.gz RMRZTGQJTHDROV-UHFFFAOYSA-N 1 0 333.344 2.644 20 5 EFBDRO C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000326040698 474998607 /nfs/dbraw/zinc/99/86/07/474998607.db2.gz WUVAGIIXVNSLHP-GFCCVEGCSA-N 1 0 325.368 2.732 20 5 EFBDRO Cc1c(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000261626396 475001515 /nfs/dbraw/zinc/00/15/15/475001515.db2.gz GUHVAVIFGKVRRL-DYVFJYSZSA-N 1 0 327.384 2.856 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000326581079 475007395 /nfs/dbraw/zinc/00/73/95/475007395.db2.gz ILXAUFYCLZRVFI-MRXNPFEDSA-N 1 0 327.384 2.734 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000268485393 475008032 /nfs/dbraw/zinc/00/80/32/475008032.db2.gz MNADRRXTAZJGFH-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO [NH3+]C1(c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)CCCC1 ZINC000261642620 475009082 /nfs/dbraw/zinc/00/90/82/475009082.db2.gz DKBJAEGKFSILQG-UHFFFAOYSA-N 1 0 341.327 2.627 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940614 475015031 /nfs/dbraw/zinc/01/50/31/475015031.db2.gz XQANVLUEHYEJMN-CZUORRHYSA-N 1 0 344.415 2.820 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1F ZINC000285431569 475019482 /nfs/dbraw/zinc/01/94/82/475019482.db2.gz WTGJTQZVFQOPMS-HNNXBMFYSA-N 1 0 348.374 2.648 20 5 EFBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000285435368 475022107 /nfs/dbraw/zinc/02/21/07/475022107.db2.gz FKHWNELMNRHIJU-HNNXBMFYSA-N 1 0 341.795 2.736 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285453180 475023896 /nfs/dbraw/zinc/02/38/96/475023896.db2.gz GKLSHUZNRZSBSR-RDJZCZTQSA-N 1 0 333.432 2.922 20 5 EFBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000337479057 475054728 /nfs/dbraw/zinc/05/47/28/475054728.db2.gz ZTBJPMMFHANZKA-SJCJKPOMSA-N 1 0 336.388 2.625 20 5 EFBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261767861 475056846 /nfs/dbraw/zinc/05/68/46/475056846.db2.gz OKXWPGRCFHCWAA-ZDUSSCGKSA-N 1 0 344.209 2.538 20 5 EFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000286304622 475059729 /nfs/dbraw/zinc/05/97/29/475059729.db2.gz DOWRGPHSHCYHOZ-OAHLLOKOSA-N 1 0 349.431 2.744 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000261845041 475082726 /nfs/dbraw/zinc/08/27/26/475082726.db2.gz UWAFTYIRJSVRHO-WBVHZDCISA-N 1 0 329.375 2.908 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000261849041 475085822 /nfs/dbraw/zinc/08/58/22/475085822.db2.gz VFBDCFXNDDVURA-SJORKVTESA-N 1 0 339.395 2.718 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281156149 475093359 /nfs/dbraw/zinc/09/33/59/475093359.db2.gz BCLDKGSXHXWSKT-OLZOCXBDSA-N 1 0 335.404 2.655 20 5 EFBDRO COc1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000268962595 475096746 /nfs/dbraw/zinc/09/67/46/475096746.db2.gz IYQOUERKFYMXDI-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281161221 475097836 /nfs/dbraw/zinc/09/78/36/475097836.db2.gz ZSIHGXOOJSDPQK-CQSZACIVSA-N 1 0 346.431 2.704 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[C@@H]21 ZINC000268972607 475104431 /nfs/dbraw/zinc/10/44/31/475104431.db2.gz AUHDCOMYQGYAPX-HIFRSBDPSA-N 1 0 342.399 2.632 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1O ZINC000341513194 475104489 /nfs/dbraw/zinc/10/44/89/475104489.db2.gz PQHGUSDWQJVTCQ-ZDUSSCGKSA-N 1 0 338.404 2.587 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000273915784 475114393 /nfs/dbraw/zinc/11/43/93/475114393.db2.gz PYLLOVSATIYZMR-HZPDHXFCSA-N 1 0 349.406 2.755 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000273915788 475114585 /nfs/dbraw/zinc/11/45/85/475114585.db2.gz PYLLOVSATIYZMR-JKSUJKDBSA-N 1 0 349.406 2.755 20 5 EFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000281208000 475115729 /nfs/dbraw/zinc/11/57/29/475115729.db2.gz UDFBSQPSGJNMOV-SFHVURJKSA-N 1 0 343.383 2.813 20 5 EFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000261992053 475138800 /nfs/dbraw/zinc/13/88/00/475138800.db2.gz DZTUHGRMSLKWKS-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271285 475146250 /nfs/dbraw/zinc/14/62/50/475146250.db2.gz NVJNSJBDQSDGPE-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO O=C(CC[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295962370 475146777 /nfs/dbraw/zinc/14/67/77/475146777.db2.gz JFXUKZRTGMUIKH-ROUUACIJSA-N 1 0 345.399 2.567 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)C23CCCC3)cccc1[N+](=O)[O-] ZINC000292680367 475147288 /nfs/dbraw/zinc/14/72/88/475147288.db2.gz JPLLSCWZYCYCNB-INIZCTEOSA-N 1 0 347.415 2.611 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000287438667 475147615 /nfs/dbraw/zinc/14/76/15/475147615.db2.gz QZISOPQXDKLDDA-UHFFFAOYSA-N 1 0 349.431 2.860 20 5 EFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 ZINC000273983293 475148157 /nfs/dbraw/zinc/14/81/57/475148157.db2.gz VIRFOGSPVWOPDE-LBPRGKRZSA-N 1 0 348.378 2.661 20 5 EFBDRO COc1cc(CN(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000281289017 475154418 /nfs/dbraw/zinc/15/44/18/475154418.db2.gz OWZLZRDZVBGXSL-UHFFFAOYSA-N 1 0 337.420 2.530 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000296012853 475164514 /nfs/dbraw/zinc/16/45/14/475164514.db2.gz LIVOZHLFZSVURK-AWEZNQCLSA-N 1 0 349.431 2.715 20 5 EFBDRO COc1cc(OCc2nc([C@@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339367805 475164476 /nfs/dbraw/zinc/16/44/76/475164476.db2.gz TZIWIQAXOKXFDD-NSHDSACASA-N 1 0 336.348 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)s2)cc1 ZINC000292716455 475166744 /nfs/dbraw/zinc/16/67/44/475166744.db2.gz PBOKPUKIIDAZRS-CABCVRRESA-N 1 0 348.424 2.953 20 5 EFBDRO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296035789 475173608 /nfs/dbraw/zinc/17/36/08/475173608.db2.gz NPWRQTBZKIYGRZ-JSGCOSHPSA-N 1 0 329.404 2.776 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292734938 475174622 /nfs/dbraw/zinc/17/46/22/475174622.db2.gz QFXLRYSJSYTSMT-UHFFFAOYSA-N 1 0 333.310 2.685 20 5 EFBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000269109664 475177183 /nfs/dbraw/zinc/17/71/83/475177183.db2.gz DCZROVQVWZLLGB-ZDUSSCGKSA-N 1 0 341.367 2.821 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000269115740 475177712 /nfs/dbraw/zinc/17/77/12/475177712.db2.gz NGGKYAMNTZQLSU-YVEFUNNKSA-N 1 0 342.399 2.632 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000269115734 475177903 /nfs/dbraw/zinc/17/79/03/475177903.db2.gz NGGKYAMNTZQLSU-SJCJKPOMSA-N 1 0 342.399 2.632 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000296116936 475201156 /nfs/dbraw/zinc/20/11/56/475201156.db2.gz QTBUUILCTJLVQZ-LLVKDONJSA-N 1 0 349.366 2.630 20 5 EFBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000296127306 475203074 /nfs/dbraw/zinc/20/30/74/475203074.db2.gz UFHOGLTYWPSWBP-CYBMUJFWSA-N 1 0 335.404 2.861 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296135634 475205371 /nfs/dbraw/zinc/20/53/71/475205371.db2.gz JHZXSKHVBNDMFG-XKQJLSEDSA-N 1 0 347.415 2.635 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292816869 475206645 /nfs/dbraw/zinc/20/66/45/475206645.db2.gz OOGWCXWEONNSEE-SFHVURJKSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296159820 475211981 /nfs/dbraw/zinc/21/19/81/475211981.db2.gz KJVQJIQIOVIQAZ-KRWDZBQOSA-N 1 0 332.404 2.853 20 5 EFBDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341673250 475216647 /nfs/dbraw/zinc/21/66/47/475216647.db2.gz DYSWEKMZFZHCGP-ZDUSSCGKSA-N 1 0 332.404 2.648 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296183180 475217244 /nfs/dbraw/zinc/21/72/44/475217244.db2.gz LKBUZVDRKCJOKN-CVEARBPZSA-N 1 0 349.431 2.739 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000296182207 475217666 /nfs/dbraw/zinc/21/76/66/475217666.db2.gz VIFJOIPCEVONLX-CQSZACIVSA-N 1 0 341.839 2.894 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCO[C@H]21 ZINC000296187920 475218773 /nfs/dbraw/zinc/21/87/73/475218773.db2.gz LOPSEVAFXCEBCT-BPLDGKMQSA-N 1 0 344.371 2.548 20 5 EFBDRO CS[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000296188443 475219857 /nfs/dbraw/zinc/21/98/57/475219857.db2.gz ISLQYYNUQKYEJU-SNVBAGLBSA-N 1 0 329.809 2.624 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000347318993 475226588 /nfs/dbraw/zinc/22/65/88/475226588.db2.gz VUOJNQIGPHMJTK-ABAIWWIYSA-N 1 0 336.367 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000341693798 475226662 /nfs/dbraw/zinc/22/66/62/475226662.db2.gz MGTCCBHGSJNODT-MRXNPFEDSA-N 1 0 346.358 2.753 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000357881194 475227575 /nfs/dbraw/zinc/22/75/75/475227575.db2.gz GRCVAFXHUOEZGM-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO CSc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000357881443 475227811 /nfs/dbraw/zinc/22/78/11/475227811.db2.gz RFTBVFJJEUGBHU-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO CC(=O)N[C@@H](C)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000361156511 475228679 /nfs/dbraw/zinc/22/86/79/475228679.db2.gz SHIZSGSFDZUCFD-DYLGSBMWSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000296229203 475230799 /nfs/dbraw/zinc/23/07/99/475230799.db2.gz PFYWBWMUTGZHDM-KRWDZBQOSA-N 1 0 332.404 2.853 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609382424 480154644 /nfs/dbraw/zinc/15/46/44/480154644.db2.gz AWSBIALNBKPBQA-OCCSQVGLSA-N 1 0 349.456 2.676 20 5 EFBDRO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332733 475239150 /nfs/dbraw/zinc/23/91/50/475239150.db2.gz HVPXGXGVTMAXQD-YOEHRIQHSA-N 1 0 344.371 2.879 20 5 EFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262432873 475239736 /nfs/dbraw/zinc/23/97/36/475239736.db2.gz FQUGYEFLYSMLKD-UHFFFAOYSA-N 1 0 341.411 2.905 20 5 EFBDRO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332725 475240337 /nfs/dbraw/zinc/24/03/37/475240337.db2.gz HVPXGXGVTMAXQD-WMLDXEAASA-N 1 0 344.371 2.879 20 5 EFBDRO CCC1(C)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000337689210 475241836 /nfs/dbraw/zinc/24/18/36/475241836.db2.gz MWBXSFHYMCDQNF-UHFFFAOYSA-N 1 0 331.416 2.996 20 5 EFBDRO CC(=O)NC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347337130 475242971 /nfs/dbraw/zinc/24/29/71/475242971.db2.gz MCIIRPDZLGTNOS-DZXKJOIRSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347337206 475243875 /nfs/dbraw/zinc/24/38/75/475243875.db2.gz MDJYUNBTHURPOP-RKCSUWQLSA-N 1 0 331.416 2.798 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262490819 475252818 /nfs/dbraw/zinc/25/28/18/475252818.db2.gz KZQZLVVELGIEGJ-ZDUSSCGKSA-N 1 0 325.796 2.756 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000357912017 475253887 /nfs/dbraw/zinc/25/38/87/475253887.db2.gz WVLNNIGURALHMF-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262538092 475257837 /nfs/dbraw/zinc/25/78/37/475257837.db2.gz QGRMDPIOKJVQTE-CYBMUJFWSA-N 1 0 342.399 2.674 20 5 EFBDRO COc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354566215 475258293 /nfs/dbraw/zinc/25/82/93/475258293.db2.gz LLQCALJGIUYRPB-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262558727 475259211 /nfs/dbraw/zinc/25/92/11/475259211.db2.gz UTEJJGINNBBMCD-LBPRGKRZSA-N 1 0 325.796 2.756 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341738104 475261944 /nfs/dbraw/zinc/26/19/44/475261944.db2.gz ZTYTVFUZLJASJY-MCIONIFRSA-N 1 0 346.431 2.535 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000296314853 475264012 /nfs/dbraw/zinc/26/40/12/475264012.db2.gz KEZQGCKRDTYKCT-MAZHCROVSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000361202555 475265956 /nfs/dbraw/zinc/26/59/56/475265956.db2.gz QKDVYFVQTZPUCC-IRXDYDNUSA-N 1 0 347.459 2.964 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000361202556 475266541 /nfs/dbraw/zinc/26/65/41/475266541.db2.gz QKDVYFVQTZPUCC-SJORKVTESA-N 1 0 347.459 2.964 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000347367812 475271351 /nfs/dbraw/zinc/27/13/51/475271351.db2.gz MSSFVIMAYXHZCY-DVNIYVAHSA-N 1 0 329.400 2.600 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352414568 475271500 /nfs/dbraw/zinc/27/15/00/475271500.db2.gz IOITVPZWLAXAOX-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361213220 475273533 /nfs/dbraw/zinc/27/35/33/475273533.db2.gz QEPJPUGYMNXEEY-FVQBIDKESA-N 1 0 333.432 2.762 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]c1C ZINC000296338326 475274360 /nfs/dbraw/zinc/27/43/60/475274360.db2.gz IDXWNWGPUTVJRZ-UHFFFAOYSA-N 1 0 347.371 2.706 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339529941 475276547 /nfs/dbraw/zinc/27/65/47/475276547.db2.gz FDNGKSCDXZDXJK-CXSQMQJXSA-N 1 0 325.368 2.814 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347383532 475284730 /nfs/dbraw/zinc/28/47/30/475284730.db2.gz OEPNZUGMPYVOPO-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296368738 475286341 /nfs/dbraw/zinc/28/63/41/475286341.db2.gz RHPVAEGBLHXVDG-UHFFFAOYSA-N 1 0 349.431 2.748 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000347392215 475291729 /nfs/dbraw/zinc/29/17/29/475291729.db2.gz RGCSPWCWKBTJER-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337751713 475295825 /nfs/dbraw/zinc/29/58/25/475295825.db2.gz JJANTKPYOKAWOE-UHFFFAOYSA-N 1 0 337.445 2.676 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccsc1 ZINC000347401244 475297299 /nfs/dbraw/zinc/29/72/99/475297299.db2.gz CAFZHTBXZHIAMM-CQSZACIVSA-N 1 0 343.412 2.736 20 5 EFBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCCC[C@H]1C ZINC000347402977 475299231 /nfs/dbraw/zinc/29/92/31/475299231.db2.gz HYYQJJCQKVHQJR-OLZOCXBDSA-N 1 0 329.404 2.635 20 5 EFBDRO Cc1cnc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000361258808 475308796 /nfs/dbraw/zinc/30/87/96/475308796.db2.gz ARVPLRIDPSDEKZ-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296491227 475340683 /nfs/dbraw/zinc/34/06/83/475340683.db2.gz PORCOKCBAHVACB-GJZGRUSLSA-N 1 0 348.447 2.933 20 5 EFBDRO CC[C@@H]([NH2+][C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352496579 475350562 /nfs/dbraw/zinc/35/05/62/475350562.db2.gz XFIPVQHKVVVAHY-ZIAGYGMSSA-N 1 0 325.434 2.503 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354711464 475354043 /nfs/dbraw/zinc/35/40/43/475354043.db2.gz HOWQFSGBERVJCK-HNNXBMFYSA-N 1 0 332.448 2.508 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000354720724 475357818 /nfs/dbraw/zinc/35/78/18/475357818.db2.gz PATFTTHRZKYALK-YNDRMARASA-N 1 0 332.400 2.518 20 5 EFBDRO COCC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)C ZINC000337836726 475365403 /nfs/dbraw/zinc/36/54/03/475365403.db2.gz CMRLEIRAUOAGCT-HZPDHXFCSA-N 1 0 349.431 2.741 20 5 EFBDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296563589 475372431 /nfs/dbraw/zinc/37/24/31/475372431.db2.gz CPDVHMKLYNEZOF-GUYCJALGSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358088708 475390564 /nfs/dbraw/zinc/39/05/64/475390564.db2.gz QIDIESDMHGIOMC-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO CC1=CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331721115 475391545 /nfs/dbraw/zinc/39/15/45/475391545.db2.gz JJZOSZXSWBJBLG-HOTGVXAUSA-N 1 0 333.436 2.517 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348103482 475392089 /nfs/dbraw/zinc/39/20/89/475392089.db2.gz CFZZMDRKGCUUNE-GWCFXTLKSA-N 1 0 334.294 2.803 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348103484 475392553 /nfs/dbraw/zinc/39/25/53/475392553.db2.gz CFZZMDRKGCUUNE-MFKMUULPSA-N 1 0 334.294 2.803 20 5 EFBDRO O=C1[C@H]([N@@H+]2CC[C@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675331 475399724 /nfs/dbraw/zinc/39/97/24/475399724.db2.gz QUTFKNQWJVLWRA-RHSMWYFYSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337877032 475400540 /nfs/dbraw/zinc/40/05/40/475400540.db2.gz VITRLUDKJQWWFL-UHFFFAOYSA-N 1 0 331.338 2.754 20 5 EFBDRO Cn1nnc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000352559248 475410876 /nfs/dbraw/zinc/41/08/76/475410876.db2.gz CMPDGFGZWIYJRM-UHFFFAOYSA-N 1 0 325.372 2.551 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296651464 475412604 /nfs/dbraw/zinc/41/26/04/475412604.db2.gz DGFJMYZRGUCKPU-NVXWUHKLSA-N 1 0 333.432 2.941 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000296662049 475417509 /nfs/dbraw/zinc/41/75/09/475417509.db2.gz GOKKFZZWMYUJFO-NSHDSACASA-N 1 0 336.367 2.814 20 5 EFBDRO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCOC1 ZINC000348135907 475418369 /nfs/dbraw/zinc/41/83/69/475418369.db2.gz LWIPDZCOWMZJHK-AAEUAGOBSA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000345750976 475419378 /nfs/dbraw/zinc/41/93/78/475419378.db2.gz NMMACGGAXNDSJZ-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000348139397 475421015 /nfs/dbraw/zinc/42/10/15/475421015.db2.gz HXTJECGNNYVJFY-KGLIPLIRSA-N 1 0 335.404 2.637 20 5 EFBDRO COC[C@@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000339699308 475421461 /nfs/dbraw/zinc/42/14/61/475421461.db2.gz AILVPZXMYPXHIG-OAHLLOKOSA-N 1 0 328.372 2.619 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000341932256 475424688 /nfs/dbraw/zinc/42/46/88/475424688.db2.gz SBVHJVCUIFVMSG-AWEZNQCLSA-N 1 0 346.387 2.782 20 5 EFBDRO CC(C)C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000345756246 475425430 /nfs/dbraw/zinc/42/54/30/475425430.db2.gz FJRPXBSCFUILER-MRXNPFEDSA-N 1 0 346.431 2.642 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000296685652 475428705 /nfs/dbraw/zinc/42/87/05/475428705.db2.gz IZJNTIOGYSVMRQ-QGZVFWFLSA-N 1 0 348.403 2.553 20 5 EFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339710293 475433643 /nfs/dbraw/zinc/43/36/43/475433643.db2.gz LIJPDTABEULRRM-SFHVURJKSA-N 1 0 349.431 2.654 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296752077 475461393 /nfs/dbraw/zinc/46/13/93/475461393.db2.gz NYGAXUGWWQBITE-LBPRGKRZSA-N 1 0 338.383 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)CCc1ccccc1)CCO2 ZINC000352620430 475464970 /nfs/dbraw/zinc/46/49/70/475464970.db2.gz CXHHXRZNIVPABQ-GOSISDBHSA-N 1 0 342.395 2.783 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC(C)(C)C1 ZINC000361469856 475475124 /nfs/dbraw/zinc/47/51/24/475475124.db2.gz OPVLVLBJTDHCLZ-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000331985211 475476557 /nfs/dbraw/zinc/47/65/57/475476557.db2.gz TWPXAHCSDLOLQD-OKDNKWQNSA-N 1 0 334.416 2.826 20 5 EFBDRO CN(C)[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000331997724 475479799 /nfs/dbraw/zinc/47/97/99/475479799.db2.gz VTQXNVARTRIBPX-DLBZAZTESA-N 1 0 335.473 2.999 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296809031 475485495 /nfs/dbraw/zinc/48/54/95/475485495.db2.gz LVKYWEWBEKUNCN-JKIFEVAISA-N 1 0 346.431 2.924 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345834985 475492593 /nfs/dbraw/zinc/49/25/93/475492593.db2.gz BZCDSUAGZMJYTF-HOTGVXAUSA-N 1 0 343.383 2.859 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000332064658 475497689 /nfs/dbraw/zinc/49/76/89/475497689.db2.gz RBOLMJHUBNGGDV-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000296842415 475500190 /nfs/dbraw/zinc/50/01/90/475500190.db2.gz XHTZMMQSEZGVOL-SWLSCSKDSA-N 1 0 336.413 2.885 20 5 EFBDRO Cc1cc(F)c(NC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000296843766 475501874 /nfs/dbraw/zinc/50/18/74/475501874.db2.gz UCJPPGXQYQKCTO-UHFFFAOYSA-N 1 0 338.383 2.896 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296846311 475503920 /nfs/dbraw/zinc/50/39/20/475503920.db2.gz XPPVQVXUNKGKCE-KSSFIOAISA-N 1 0 330.384 2.823 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(F)F ZINC000338011964 475505567 /nfs/dbraw/zinc/50/55/67/475505567.db2.gz KPCPPZCSCLZRDD-JTQLQIEISA-N 1 0 331.319 2.531 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000352670214 475514658 /nfs/dbraw/zinc/51/46/58/475514658.db2.gz FAHAVGNHOZPKBJ-UHFFFAOYSA-N 1 0 345.384 2.720 20 5 EFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354914542 475515624 /nfs/dbraw/zinc/51/56/24/475515624.db2.gz DPCQUNFLUKXTJP-OCCSQVGLSA-N 1 0 336.388 2.767 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000332113646 475515984 /nfs/dbraw/zinc/51/59/84/475515984.db2.gz HCTUQPVDERDPSD-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000338030165 475523331 /nfs/dbraw/zinc/52/33/31/475523331.db2.gz UMDVTAIFPFNEEV-ZDUSSCGKSA-N 1 0 330.388 2.717 20 5 EFBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000338036447 475530839 /nfs/dbraw/zinc/53/08/39/475530839.db2.gz KJPISEDVNCXOQP-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000296915514 475532766 /nfs/dbraw/zinc/53/27/66/475532766.db2.gz LJVSQAZAULZJSL-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296926871 475538814 /nfs/dbraw/zinc/53/88/14/475538814.db2.gz ZNHDSRREFHZXSQ-RISCZKNCSA-N 1 0 338.383 2.893 20 5 EFBDRO O=C(C[N@H+](CC1CC1)CC1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361555463 475544986 /nfs/dbraw/zinc/54/49/86/475544986.db2.gz YMMNNJSRWCRUNH-UHFFFAOYSA-N 1 0 343.427 2.996 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000332184049 475546513 /nfs/dbraw/zinc/54/65/13/475546513.db2.gz ATXJKJVFTFAMPI-HOCLYGCPSA-N 1 0 331.416 2.768 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000332182537 475546759 /nfs/dbraw/zinc/54/67/59/475546759.db2.gz VFVCTYQZYAQAFK-KBPBESRZSA-N 1 0 349.456 2.630 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC000361560638 475548430 /nfs/dbraw/zinc/54/84/30/475548430.db2.gz AMDBGPIKDOIUMJ-MRXNPFEDSA-N 1 0 334.416 2.847 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000296978279 475561044 /nfs/dbraw/zinc/56/10/44/475561044.db2.gz PBTHAIWAOLCASN-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000342218428 475575094 /nfs/dbraw/zinc/57/50/94/475575094.db2.gz IMRIVEUAQUYYJO-CQSZACIVSA-N 1 0 340.445 2.633 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332251135 475575651 /nfs/dbraw/zinc/57/56/51/475575651.db2.gz UFEQWEFPENCCKW-CHWSQXEVSA-N 1 0 331.420 2.776 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358305980 475576970 /nfs/dbraw/zinc/57/69/70/475576970.db2.gz YHYPIYUAQJVMBL-UHFFFAOYSA-N 1 0 328.434 2.631 20 5 EFBDRO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000332258411 475577131 /nfs/dbraw/zinc/57/71/31/475577131.db2.gz ZZQDZDRCTWRTHQ-CHWSQXEVSA-N 1 0 338.429 2.802 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000348306978 475579633 /nfs/dbraw/zinc/57/96/33/475579633.db2.gz NLSNWKATYWBOTK-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000342345375 475585925 /nfs/dbraw/zinc/58/59/25/475585925.db2.gz GQISZGCTELNIGD-MNOVXSKESA-N 1 0 335.433 2.909 20 5 EFBDRO CC(C)c1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332320511 475599516 /nfs/dbraw/zinc/59/95/16/475599516.db2.gz RFLFLQZZCZOJGR-MSOLQXFVSA-N 1 0 333.432 2.623 20 5 EFBDRO CC1=C(C)C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000361618006 475602103 /nfs/dbraw/zinc/60/21/03/475602103.db2.gz GYNLULHWGVASBX-UHFFFAOYSA-N 1 0 331.372 2.935 20 5 EFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346464291 475605337 /nfs/dbraw/zinc/60/53/37/475605337.db2.gz SZDXHBVATOCKCU-MRXNPFEDSA-N 1 0 344.415 2.809 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361622831 475605597 /nfs/dbraw/zinc/60/55/97/475605597.db2.gz RUNKWAYUYHTOPZ-UHFFFAOYSA-N 1 0 335.404 2.519 20 5 EFBDRO Cc1cnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000358359173 475616840 /nfs/dbraw/zinc/61/68/40/475616840.db2.gz SOGULGSEAMIWAD-MRXNPFEDSA-N 1 0 326.400 2.847 20 5 EFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000358370485 475626371 /nfs/dbraw/zinc/62/63/71/475626371.db2.gz CPVFAPQBCNEJGU-NSHDSACASA-N 1 0 337.807 2.557 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361651676 475631160 /nfs/dbraw/zinc/63/11/60/475631160.db2.gz FSDOINBNWDLFCB-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342738663 475633503 /nfs/dbraw/zinc/63/35/03/475633503.db2.gz JRFYDOFTNOESQK-QWHCGFSZSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000332436328 475637344 /nfs/dbraw/zinc/63/73/44/475637344.db2.gz GVZNNYGFXJNPLU-KEYYUXOJSA-N 1 0 346.431 2.924 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332443319 475639551 /nfs/dbraw/zinc/63/95/51/475639551.db2.gz IVUFEMIZUGMGSG-UHFFFAOYSA-N 1 0 331.416 2.912 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358402183 475652053 /nfs/dbraw/zinc/65/20/53/475652053.db2.gz YOKLYBKZKXHBSA-AWEZNQCLSA-N 1 0 337.395 2.609 20 5 EFBDRO CCOC[C@@H](O)CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000346554489 475652671 /nfs/dbraw/zinc/65/26/71/475652671.db2.gz IHGIICOZANONEZ-MAUKXSAKSA-N 1 0 348.399 2.827 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000332522390 475658135 /nfs/dbraw/zinc/65/81/35/475658135.db2.gz ZSWTUPUGADYXRC-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO CCC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297214172 475659068 /nfs/dbraw/zinc/65/90/68/475659068.db2.gz GWWHZXQUKPWHSO-AEFFLSMTSA-N 1 0 335.448 2.872 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358416586 475662430 /nfs/dbraw/zinc/66/24/30/475662430.db2.gz CTQHFZVSSOMEEV-BETUJISGSA-N 1 0 337.395 2.656 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000358434688 475677100 /nfs/dbraw/zinc/67/71/00/475677100.db2.gz ACKISSAGRVDOLS-OAHLLOKOSA-N 1 0 348.447 2.823 20 5 EFBDRO Cc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297259698 475679443 /nfs/dbraw/zinc/67/94/43/475679443.db2.gz VZMVNPYPQYRVLE-MRXNPFEDSA-N 1 0 341.415 2.670 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332592763 475681169 /nfs/dbraw/zinc/68/11/69/475681169.db2.gz NWOSJGTVEYSTCA-LSDHHAIUSA-N 1 0 331.416 2.910 20 5 EFBDRO CC[N@@H+]1CCCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000297276667 475687302 /nfs/dbraw/zinc/68/73/02/475687302.db2.gz XDPZMBMPNVZJEV-UHFFFAOYSA-N 1 0 330.388 2.684 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000332639776 475697819 /nfs/dbraw/zinc/69/78/19/475697819.db2.gz RKNTYFIVRIXDCM-KBPBESRZSA-N 1 0 336.367 2.824 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348519498 475719389 /nfs/dbraw/zinc/71/93/89/475719389.db2.gz DBGNPFAOJNQFMB-PWSUYJOCSA-N 1 0 343.330 2.592 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348519499 475720335 /nfs/dbraw/zinc/72/03/35/475720335.db2.gz DBGNPFAOJNQFMB-ZYHUDNBSSA-N 1 0 343.330 2.592 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361755441 475722932 /nfs/dbraw/zinc/72/29/32/475722932.db2.gz QRWWSEWGNJIFPX-DUVNUKRYSA-N 1 0 335.404 2.777 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348538572 475737526 /nfs/dbraw/zinc/73/75/26/475737526.db2.gz UBYYALIDHHSYEB-ZWKOPEQDSA-N 1 0 343.330 2.672 20 5 EFBDRO O=C(C[NH2+][C@H]1CCc2ccccc2OC1)Nc1ccccc1[N+](=O)[O-] ZINC000338316277 475779127 /nfs/dbraw/zinc/77/91/27/475779127.db2.gz PWDFBJWVTCMACI-AWEZNQCLSA-N 1 0 341.367 2.517 20 5 EFBDRO Cc1c(CNC(=O)N(C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000353224912 475783985 /nfs/dbraw/zinc/78/39/85/475783985.db2.gz VIZHKEHKTXBBMO-UHFFFAOYSA-N 1 0 334.420 2.531 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509779 475788899 /nfs/dbraw/zinc/78/88/99/475788899.db2.gz YVVWUDBEASEGBF-RDTXWAMCSA-N 1 0 346.431 2.783 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509773 475789254 /nfs/dbraw/zinc/78/92/54/475789254.db2.gz YVVWUDBEASEGBF-KBXCAEBGSA-N 1 0 346.431 2.783 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000355271649 475790796 /nfs/dbraw/zinc/79/07/96/475790796.db2.gz YSVGSRZVVRPPEC-MRXNPFEDSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338327466 475791830 /nfs/dbraw/zinc/79/18/30/475791830.db2.gz WQASWOVRSRVGMN-TZMCWYRMSA-N 1 0 345.403 2.984 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[C@H](CO)C2)n1 ZINC000348681992 475816653 /nfs/dbraw/zinc/81/66/53/475816653.db2.gz MQTWRIGBULJLSI-FXUDXRNXSA-N 1 0 336.436 2.663 20 5 EFBDRO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297593287 475820703 /nfs/dbraw/zinc/82/07/03/475820703.db2.gz MWDPMLXFVGMNTJ-UONOGXRCSA-N 1 0 334.420 2.639 20 5 EFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000340173591 475823812 /nfs/dbraw/zinc/82/38/12/475823812.db2.gz SIVOQTFWTHIPPM-AWEZNQCLSA-N 1 0 328.372 2.685 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000338361915 475826064 /nfs/dbraw/zinc/82/60/64/475826064.db2.gz SBTXYKSANLSJGT-GOSISDBHSA-N 1 0 339.395 2.875 20 5 EFBDRO COCc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000297608059 475826717 /nfs/dbraw/zinc/82/67/17/475826717.db2.gz GGFRMCIDKVKKKE-UHFFFAOYSA-N 1 0 347.371 2.773 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000346756171 475830632 /nfs/dbraw/zinc/83/06/32/475830632.db2.gz BBEFKCLRNHNLRX-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000346768211 475840815 /nfs/dbraw/zinc/84/08/15/475840815.db2.gz JQEJWGAHICUBLG-OLZOCXBDSA-N 1 0 342.399 2.698 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000346769708 475842381 /nfs/dbraw/zinc/84/23/81/475842381.db2.gz KXJAJOJNGKROJG-QWHCGFSZSA-N 1 0 334.420 2.581 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297701210 475860004 /nfs/dbraw/zinc/86/00/04/475860004.db2.gz RFKIJGISWWKMIH-KBPBESRZSA-N 1 0 334.420 2.782 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000355354502 475860225 /nfs/dbraw/zinc/86/02/25/475860225.db2.gz LEFZIRDYSPXCLD-UHFFFAOYSA-N 1 0 331.416 2.902 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340211449 475861343 /nfs/dbraw/zinc/86/13/43/475861343.db2.gz XFHZZVLPUAKYDM-UONOGXRCSA-N 1 0 348.321 2.751 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000338409780 475877663 /nfs/dbraw/zinc/87/76/63/475877663.db2.gz MMHLLRQEBQAALT-INIZCTEOSA-N 1 0 344.367 2.745 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000338418720 475885987 /nfs/dbraw/zinc/88/59/87/475885987.db2.gz GRGKCBSBSHXOOS-INIZCTEOSA-N 1 0 349.431 2.744 20 5 EFBDRO COCC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358745462 475901080 /nfs/dbraw/zinc/90/10/80/475901080.db2.gz OTPULZDWFORWEO-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C[NH3+])C1 ZINC000346846769 475908154 /nfs/dbraw/zinc/90/81/54/475908154.db2.gz BZQKHGMRPZZFIW-KGLIPLIRSA-N 1 0 345.399 2.793 20 5 EFBDRO COc1cc(C[NH2+]CC2(OC)CCC(C)CC2)c([N+](=O)[O-])cc1O ZINC000355410571 475912842 /nfs/dbraw/zinc/91/28/42/475912842.db2.gz GYSHKBDDXSTCBH-UHFFFAOYSA-N 1 0 338.404 2.994 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000355413062 475914517 /nfs/dbraw/zinc/91/45/17/475914517.db2.gz CFWOIZJQFIVVPT-UKTHLTGXSA-N 1 0 338.429 2.555 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343286305 475921566 /nfs/dbraw/zinc/92/15/66/475921566.db2.gz XTXKCHNLZKQBRS-NWDGAFQWSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000340294396 475924549 /nfs/dbraw/zinc/92/45/49/475924549.db2.gz CELQAEBLYDPPJL-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000340298261 475927123 /nfs/dbraw/zinc/92/71/23/475927123.db2.gz JDAOOJZCHDBDKQ-ZBFHGGJFSA-N 1 0 348.447 2.652 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC2CC2)CC1 ZINC000355438507 475938256 /nfs/dbraw/zinc/93/82/56/475938256.db2.gz OJKJWLPHBWBHPT-UHFFFAOYSA-N 1 0 333.432 2.910 20 5 EFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362021179 475941550 /nfs/dbraw/zinc/94/15/50/475941550.db2.gz YSWTYDQGGGLQCN-RDJZCZTQSA-N 1 0 338.404 2.666 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000358813938 475959807 /nfs/dbraw/zinc/95/98/07/475959807.db2.gz OFLCNRTYNVPQMA-LRDDRELGSA-N 1 0 345.374 2.962 20 5 EFBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C1 ZINC000298033327 475960746 /nfs/dbraw/zinc/96/07/46/475960746.db2.gz VGWKBWACKLFNNB-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000358829680 475972437 /nfs/dbraw/zinc/97/24/37/475972437.db2.gz RWUBIFAJTWVTRM-DLBZAZTESA-N 1 0 335.473 2.915 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000355515581 475998515 /nfs/dbraw/zinc/99/85/15/475998515.db2.gz VZRAFLGKWNALCE-HNNXBMFYSA-N 1 0 334.420 2.577 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343381894 476006080 /nfs/dbraw/zinc/00/60/80/476006080.db2.gz DZYBMMRHADWKFZ-BLLLJJGKSA-N 1 0 335.404 2.717 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000358881179 476008640 /nfs/dbraw/zinc/00/86/40/476008640.db2.gz NJCQUGLZUCGIAV-DZGCQCFKSA-N 1 0 329.404 2.884 20 5 EFBDRO COc1ccncc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340402123 476012391 /nfs/dbraw/zinc/01/23/91/476012391.db2.gz CSHYARRIDZIYSX-LBPRGKRZSA-N 1 0 344.371 2.505 20 5 EFBDRO CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000343391324 476013636 /nfs/dbraw/zinc/01/36/36/476013636.db2.gz CLKWYXSMVXSWGH-DOTOQJQBSA-N 1 0 330.388 2.992 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000343400608 476027876 /nfs/dbraw/zinc/02/78/76/476027876.db2.gz IBBHYBOKTSDQQJ-HNNXBMFYSA-N 1 0 346.387 2.940 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343400982 476028128 /nfs/dbraw/zinc/02/81/28/476028128.db2.gz LCWNVRNQJFVGIE-GJZGRUSLSA-N 1 0 334.351 2.570 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@@H](C)C1 ZINC000362144969 476029819 /nfs/dbraw/zinc/02/98/19/476029819.db2.gz SOBATISMAQHKMS-HIFRSBDPSA-N 1 0 349.431 2.979 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@H](C)C1 ZINC000362144968 476029838 /nfs/dbraw/zinc/02/98/38/476029838.db2.gz SOBATISMAQHKMS-DZGCQCFKSA-N 1 0 349.431 2.979 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042699 476057501 /nfs/dbraw/zinc/05/75/01/476057501.db2.gz LQJPTLHLOTYMTD-GHMZBOCLSA-N 1 0 329.347 2.755 20 5 EFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC[N@@H+]1C ZINC000343451722 476073467 /nfs/dbraw/zinc/07/34/67/476073467.db2.gz GDIJWKNILMVXEB-ZFWWWQNUSA-N 1 0 326.400 2.973 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000298387944 476077078 /nfs/dbraw/zinc/07/70/78/476077078.db2.gz ILRKRRKUVYQTAC-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362224694 476087092 /nfs/dbraw/zinc/08/70/92/476087092.db2.gz YPTTXEWABAWUIH-HNNXBMFYSA-N 1 0 349.479 2.805 20 5 EFBDRO C[C@@H]1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343614389 476093376 /nfs/dbraw/zinc/09/33/76/476093376.db2.gz YFEDLUSPTMIOFQ-PSASIEDQSA-N 1 0 329.198 2.647 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000347110309 476100211 /nfs/dbraw/zinc/10/02/11/476100211.db2.gz PHCPFYAFGGKLJQ-UHFFFAOYSA-N 1 0 333.432 2.958 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000340558444 476105285 /nfs/dbraw/zinc/10/52/85/476105285.db2.gz SRZQBQMSQQVJBP-UHFFFAOYSA-N 1 0 346.431 2.596 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000340559326 476105853 /nfs/dbraw/zinc/10/58/53/476105853.db2.gz ZIRUNJOOJQGBIX-UHFFFAOYSA-N 1 0 335.448 2.964 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCO3)s2)cc1 ZINC000338716216 476128910 /nfs/dbraw/zinc/12/89/10/476128910.db2.gz NYXQKAUBHHLEAF-AWEZNQCLSA-N 1 0 334.397 2.828 20 5 EFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353624635 476134014 /nfs/dbraw/zinc/13/40/14/476134014.db2.gz UHMAOAXCYXEOJT-LBPRGKRZSA-N 1 0 341.367 2.819 20 5 EFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353635485 476142637 /nfs/dbraw/zinc/14/26/37/476142637.db2.gz ZPLQQKYSEZVJJY-USXIJHARSA-N 1 0 344.415 2.822 20 5 EFBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1O ZINC000336883339 476175135 /nfs/dbraw/zinc/17/51/35/476175135.db2.gz YQHLVVMZBJLCQN-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338784459 476183470 /nfs/dbraw/zinc/18/34/70/476183470.db2.gz KAYRGOUHUSWMFL-OKILXGFUSA-N 1 0 341.415 2.889 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353679774 476183809 /nfs/dbraw/zinc/18/38/09/476183809.db2.gz XUVDWACWJICQLN-UHFFFAOYSA-N 1 0 339.395 2.555 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344252243 476184882 /nfs/dbraw/zinc/18/48/82/476184882.db2.gz HASQTMDANMBDEM-INIZCTEOSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348496 476188580 /nfs/dbraw/zinc/18/85/80/476188580.db2.gz JPOAWKUBKFSYJY-LBPRGKRZSA-N 1 0 332.379 2.970 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)c1 ZINC000357051323 476189266 /nfs/dbraw/zinc/18/92/66/476189266.db2.gz MZLUGOBTLIHPSF-UONOGXRCSA-N 1 0 344.440 2.760 20 5 EFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362359429 476194412 /nfs/dbraw/zinc/19/44/12/476194412.db2.gz NJVJPQHLRPGVFJ-LBPRGKRZSA-N 1 0 330.363 2.581 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347238834 476195789 /nfs/dbraw/zinc/19/57/89/476195789.db2.gz SIIKXAIIVBAWOG-LBPRGKRZSA-N 1 0 338.383 2.930 20 5 EFBDRO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000350485401 476207702 /nfs/dbraw/zinc/20/77/02/476207702.db2.gz WKVKJVIWNGTZOC-HOTGVXAUSA-N 1 0 349.431 2.695 20 5 EFBDRO CN(C)c1nccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000344293704 476224256 /nfs/dbraw/zinc/22/42/56/476224256.db2.gz IKBPUMGQDXLIII-MRXNPFEDSA-N 1 0 341.415 2.562 20 5 EFBDRO C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000347288288 476232899 /nfs/dbraw/zinc/23/28/99/476232899.db2.gz QNKMADGQACLUAS-JTQLQIEISA-N 1 0 326.372 2.832 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000344316954 476245353 /nfs/dbraw/zinc/24/53/53/476245353.db2.gz KQKBRVMIGVVVEY-CVEARBPZSA-N 1 0 336.338 2.922 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000344316955 476245609 /nfs/dbraw/zinc/24/56/09/476245609.db2.gz KQKBRVMIGVVVEY-HOTGVXAUSA-N 1 0 336.338 2.922 20 5 EFBDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353756553 476250557 /nfs/dbraw/zinc/25/05/57/476250557.db2.gz VWAPJPNCEYYAPA-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313902 476252040 /nfs/dbraw/zinc/25/20/40/476252040.db2.gz DQTZULPAONJTGI-CJNGLKHVSA-N 1 0 330.344 2.571 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000303974596 476254229 /nfs/dbraw/zinc/25/42/29/476254229.db2.gz AWUKUYUUVKGYOZ-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO CC(C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)O ZINC000303993435 476259060 /nfs/dbraw/zinc/25/90/60/476259060.db2.gz NUNVGAQQWWUMFA-CYBMUJFWSA-N 1 0 333.388 2.884 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000353775369 476263944 /nfs/dbraw/zinc/26/39/44/476263944.db2.gz ISZQMCJJCANGSP-UHFFFAOYSA-N 1 0 336.388 2.672 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000362487384 476278373 /nfs/dbraw/zinc/27/83/73/476278373.db2.gz UOORWGDMCXHYTQ-CQSZACIVSA-N 1 0 342.399 2.660 20 5 EFBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552627 476306165 /nfs/dbraw/zinc/30/61/65/476306165.db2.gz USCVYCDPMLSSAC-BBRMVZONSA-N 1 0 345.399 2.595 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000357260773 476307702 /nfs/dbraw/zinc/30/77/02/476307702.db2.gz DXTKSFIONYDWEH-JSGCOSHPSA-N 1 0 337.395 2.608 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353913431 476322895 /nfs/dbraw/zinc/32/28/95/476322895.db2.gz MWWVZDZTQUYHQJ-KBPBESRZSA-N 1 0 332.404 2.906 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccs1 ZINC000357324321 476331539 /nfs/dbraw/zinc/33/15/39/476331539.db2.gz PTRCETXGLPMLTH-ZDUSSCGKSA-N 1 0 343.412 2.736 20 5 EFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000360672570 476336846 /nfs/dbraw/zinc/33/68/46/476336846.db2.gz NFVQEPBXTPNQJC-UHFFFAOYSA-N 1 0 336.436 2.897 20 5 EFBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000362677256 476348406 /nfs/dbraw/zinc/34/84/06/476348406.db2.gz XLXJKBSNVUCTGF-YOEHRIQHSA-N 1 0 327.388 2.514 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000353995873 476352230 /nfs/dbraw/zinc/35/22/30/476352230.db2.gz HZZMLFKXFFREFN-NSHDSACASA-N 1 0 333.413 2.976 20 5 EFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000362692006 476352522 /nfs/dbraw/zinc/35/25/22/476352522.db2.gz NIUUECJKRDHICE-UHFFFAOYSA-N 1 0 349.431 2.558 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000377343247 476359859 /nfs/dbraw/zinc/35/98/59/476359859.db2.gz DBAHWZUSXLEDRX-OAHLLOKOSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000354015353 476366310 /nfs/dbraw/zinc/36/63/10/476366310.db2.gz RFRAULUZMZYGEU-ZDUSSCGKSA-N 1 0 331.416 2.852 20 5 EFBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000363402609 476366606 /nfs/dbraw/zinc/36/66/06/476366606.db2.gz NUOAHBOSSGVUQY-UHFFFAOYSA-N 1 0 333.432 2.842 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363405454 476368133 /nfs/dbraw/zinc/36/81/33/476368133.db2.gz GKTXNDRBMQFKCE-WDEREUQCSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363405452 476368318 /nfs/dbraw/zinc/36/83/18/476368318.db2.gz GKTXNDRBMQFKCE-MNOVXSKESA-N 1 0 338.795 2.997 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@H]3CCOC3)o2)c1 ZINC000360761711 476371258 /nfs/dbraw/zinc/37/12/58/476371258.db2.gz CLJFRZNGHZNBBV-GJZGRUSLSA-N 1 0 346.383 2.589 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)o2)c1 ZINC000360761712 476371340 /nfs/dbraw/zinc/37/13/40/476371340.db2.gz CLJFRZNGHZNBBV-HUUCEWRRSA-N 1 0 346.383 2.589 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000354024946 476374099 /nfs/dbraw/zinc/37/40/99/476374099.db2.gz WNBAJGMWEDSGPR-ZDUSSCGKSA-N 1 0 331.416 2.852 20 5 EFBDRO CNc1ccc(-c2nc(CC34CCC[NH+]3CCC4)no2)cc1[N+](=O)[O-] ZINC000351247955 476379348 /nfs/dbraw/zinc/37/93/48/476379348.db2.gz WDJSVHURVYRVOU-UHFFFAOYSA-N 1 0 343.387 2.857 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000354040885 476385921 /nfs/dbraw/zinc/38/59/21/476385921.db2.gz PDANIFNFCHFARM-RCFWFJCLSA-N 1 0 332.400 2.878 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000360800574 476396183 /nfs/dbraw/zinc/39/61/83/476396183.db2.gz OFJKIOZRJCQXGS-UNEWFSDZSA-N 1 0 333.432 2.762 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000354068263 476403115 /nfs/dbraw/zinc/40/31/15/476403115.db2.gz MZVOFCXDKMSNRG-KRWDZBQOSA-N 1 0 348.447 2.633 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000369597674 476430777 /nfs/dbraw/zinc/43/07/77/476430777.db2.gz POTJAIPESXRXJZ-UHFFFAOYSA-N 1 0 339.367 2.563 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362850433 476439896 /nfs/dbraw/zinc/43/98/96/476439896.db2.gz LARAAJCWFHJBHT-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000360868629 476441119 /nfs/dbraw/zinc/44/11/19/476441119.db2.gz BSYZCPITIBMUAR-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EFBDRO COc1cc(NCC2(SC)CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000357560607 476455192 /nfs/dbraw/zinc/45/51/92/476455192.db2.gz AXTIPSVSNDKIQH-UHFFFAOYSA-N 1 0 343.424 2.982 20 5 EFBDRO CSC1(CNc2ccc([N+](=O)[O-])c(N)c2F)CC[NH+](C)CC1 ZINC000357574328 476464754 /nfs/dbraw/zinc/46/47/54/476464754.db2.gz AGYWHMGSGJKPFI-UHFFFAOYSA-N 1 0 328.413 2.555 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000360946326 476494341 /nfs/dbraw/zinc/49/43/41/476494341.db2.gz UTZAPCQLDKGULD-IJEWVQPXSA-N 1 0 333.432 2.715 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000369721897 476494733 /nfs/dbraw/zinc/49/47/33/476494733.db2.gz PCODKBHPIURJIR-DLBZAZTESA-N 1 0 340.379 2.983 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000362954394 476501050 /nfs/dbraw/zinc/50/10/50/476501050.db2.gz KJCNNTHAENHEQF-DOTOQJQBSA-N 1 0 336.436 2.587 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377658937 476504046 /nfs/dbraw/zinc/50/40/46/476504046.db2.gz YTNKVQQDAYLRPD-HIFRSBDPSA-N 1 0 349.822 2.517 20 5 EFBDRO COc1ccc(OCCN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000363116445 476568068 /nfs/dbraw/zinc/56/80/68/476568068.db2.gz JXSFVMHJVAOSFP-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000357737934 476568703 /nfs/dbraw/zinc/56/87/03/476568703.db2.gz GCJZBWIWWSUBIM-ZIAGYGMSSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000363139794 476576096 /nfs/dbraw/zinc/57/60/96/476576096.db2.gz XIHLFIHNRNBMQP-UHFFFAOYSA-N 1 0 331.338 2.707 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000374907710 476586762 /nfs/dbraw/zinc/58/67/62/476586762.db2.gz FWBGTZVRLRUPHA-INIZCTEOSA-N 1 0 334.416 2.921 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365498114 476593111 /nfs/dbraw/zinc/59/31/11/476593111.db2.gz ZNVBZMGBPNWMSH-GFCCVEGCSA-N 1 0 345.359 2.616 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000369937603 476595437 /nfs/dbraw/zinc/59/54/37/476595437.db2.gz BIYYANRRLLRGRO-LBPRGKRZSA-N 1 0 326.368 2.991 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000357777021 476595743 /nfs/dbraw/zinc/59/57/43/476595743.db2.gz XVNZZOMCNGMQCZ-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO Cc1ccnc(NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000361094911 476597226 /nfs/dbraw/zinc/59/72/26/476597226.db2.gz IAFIESYEOLGXEJ-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365514885 476599717 /nfs/dbraw/zinc/59/97/17/476599717.db2.gz PKLVYCJVAIBXOM-UHFFFAOYSA-N 1 0 331.332 2.537 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000361113567 476609201 /nfs/dbraw/zinc/60/92/01/476609201.db2.gz ZNZRZJSLUOIBOC-HIFRSBDPSA-N 1 0 346.431 2.725 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000354373699 476618530 /nfs/dbraw/zinc/61/85/30/476618530.db2.gz CJEKNMQAIQSFDR-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CNc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361126031 476619346 /nfs/dbraw/zinc/61/93/46/476619346.db2.gz YLILKSZPPONNHW-CQSZACIVSA-N 1 0 348.447 2.878 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354379129 476623606 /nfs/dbraw/zinc/62/36/06/476623606.db2.gz GPTMHRDYYRDSQT-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000361136799 476628980 /nfs/dbraw/zinc/62/89/80/476628980.db2.gz SDVAOWDHJQLUSL-NSHDSACASA-N 1 0 332.335 2.808 20 5 EFBDRO CNc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361147920 476635554 /nfs/dbraw/zinc/63/55/54/476635554.db2.gz YGOYLORVMFCUDN-ZDUSSCGKSA-N 1 0 348.428 2.731 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)C ZINC000357835490 476638864 /nfs/dbraw/zinc/63/88/64/476638864.db2.gz PBLNMMYPCXIFKN-NEPJUHHUSA-N 1 0 325.434 2.532 20 5 EFBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363328354 476653713 /nfs/dbraw/zinc/65/37/13/476653713.db2.gz HOTVJHJLBKRZSQ-CQSZACIVSA-N 1 0 329.356 2.582 20 5 EFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365658233 476665457 /nfs/dbraw/zinc/66/54/57/476665457.db2.gz DOFSGHFVIRWBMO-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO CO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451869405 476689451 /nfs/dbraw/zinc/68/94/51/476689451.db2.gz RHGUCXFLGHDTPI-HOTGVXAUSA-N 1 0 347.415 2.813 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456687817 476690585 /nfs/dbraw/zinc/69/05/85/476690585.db2.gz XFSSCNJBBWRYTI-UHFFFAOYSA-N 1 0 342.399 2.823 20 5 EFBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000429828252 476698719 /nfs/dbraw/zinc/69/87/19/476698719.db2.gz FHLIUYSRRDLRJC-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354524332 476707925 /nfs/dbraw/zinc/70/79/25/476707925.db2.gz GIDVSXRONXOBFQ-HNNXBMFYSA-N 1 0 348.399 2.769 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000365804875 476709093 /nfs/dbraw/zinc/70/90/93/476709093.db2.gz HGMNVZNZMMEUOT-GJZGRUSLSA-N 1 0 343.431 2.956 20 5 EFBDRO C[C@H]([N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O ZINC000382809714 476748177 /nfs/dbraw/zinc/74/81/77/476748177.db2.gz OXMUXCQWTKRQPV-VIFPVBQESA-N 1 0 331.210 2.949 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422759496 476764951 /nfs/dbraw/zinc/76/49/51/476764951.db2.gz KVGZNTUQVGMXML-LLVKDONJSA-N 1 0 343.836 2.680 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413870213 476771403 /nfs/dbraw/zinc/77/14/03/476771403.db2.gz YMTTVPWCWVDVKB-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000422781505 476772864 /nfs/dbraw/zinc/77/28/64/476772864.db2.gz FDUGWKOPZCEYAO-NSHDSACASA-N 1 0 337.445 2.906 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375316649 476774556 /nfs/dbraw/zinc/77/45/56/476774556.db2.gz YJTWFTTZMYYDMN-KRWDZBQOSA-N 1 0 347.415 2.814 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000430206027 476780337 /nfs/dbraw/zinc/78/03/37/476780337.db2.gz VMUPWZATCAOIEY-CQSZACIVSA-N 1 0 349.431 2.588 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000445853293 476780400 /nfs/dbraw/zinc/78/04/00/476780400.db2.gz FNGHLMZXHVNBAX-UHFFFAOYSA-N 1 0 340.811 2.532 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000430228346 476786280 /nfs/dbraw/zinc/78/62/80/476786280.db2.gz SJSBAGAPSCYTQW-UHFFFAOYSA-N 1 0 341.411 2.921 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452040905 476789994 /nfs/dbraw/zinc/78/99/94/476789994.db2.gz RCLZTJLUWLDMFM-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430243860 476790750 /nfs/dbraw/zinc/79/07/50/476790750.db2.gz WCLXBFDJTNBQDS-OAHLLOKOSA-N 1 0 333.432 2.767 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452047338 476794447 /nfs/dbraw/zinc/79/44/47/476794447.db2.gz ZUHWGONAQZUYRU-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452053916 476797756 /nfs/dbraw/zinc/79/77/56/476797756.db2.gz PUEDZFLTGSLSJX-WHTWZSQMSA-N 1 0 329.400 2.562 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000422830281 476799669 /nfs/dbraw/zinc/79/96/69/476799669.db2.gz CKBZALFNMCFJGS-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO Cc1n[nH]cc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375372213 476801449 /nfs/dbraw/zinc/80/14/49/476801449.db2.gz ACZHYDQWXXBGQO-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000422839303 476802767 /nfs/dbraw/zinc/80/27/67/476802767.db2.gz ZTIGKRCBKPIYDB-OAHLLOKOSA-N 1 0 335.404 2.631 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000422873138 476822081 /nfs/dbraw/zinc/82/20/81/476822081.db2.gz KELUGDGEJTWPHA-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452112702 476832900 /nfs/dbraw/zinc/83/29/00/476832900.db2.gz GURLNSHITYODSJ-INIZCTEOSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452121166 476839623 /nfs/dbraw/zinc/83/96/23/476839623.db2.gz GJDOBRIQPVVLNL-OLZOCXBDSA-N 1 0 346.387 2.800 20 5 EFBDRO CC(C)[C@@](C)(CN)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430553062 476856330 /nfs/dbraw/zinc/85/63/30/476856330.db2.gz SWTWGCINZVZQML-QGZVFWFLSA-N 1 0 332.404 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457073335 476858131 /nfs/dbraw/zinc/85/81/31/476858131.db2.gz KCXUDWWKLXXWTO-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000457094565 476871350 /nfs/dbraw/zinc/87/13/50/476871350.db2.gz ZQXZRTMRKUBVMC-AWEZNQCLSA-N 1 0 337.445 2.628 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457096609 476873310 /nfs/dbraw/zinc/87/33/10/476873310.db2.gz RAXDLLGTTCJGDC-JSGCOSHPSA-N 1 0 337.395 2.779 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000457113184 476884004 /nfs/dbraw/zinc/88/40/04/476884004.db2.gz JWCVCNHTVUJGSW-ZDUSSCGKSA-N 1 0 325.796 2.803 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000457124376 476889083 /nfs/dbraw/zinc/88/90/83/476889083.db2.gz PSEZKAFIIPLIGR-QGZVFWFLSA-N 1 0 348.447 2.728 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949119 476897644 /nfs/dbraw/zinc/89/76/44/476897644.db2.gz NBJYTRDSYIKHQS-UHFFFAOYSA-N 1 0 346.334 2.645 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000457159887 476906594 /nfs/dbraw/zinc/90/65/94/476906594.db2.gz ASWUHSRLEWLXQE-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370636280 476907340 /nfs/dbraw/zinc/90/73/40/476907340.db2.gz SJHAMXRBVKHXDC-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO C[N@H+](CCCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000457166663 476909761 /nfs/dbraw/zinc/90/97/61/476909761.db2.gz LMVOVVGTFLDUEO-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000452341128 476922956 /nfs/dbraw/zinc/92/29/56/476922956.db2.gz GGQWHOBNWVXSTH-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000452344361 476925394 /nfs/dbraw/zinc/92/53/94/476925394.db2.gz NPUYCKAVHCFFSQ-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415430081 476926904 /nfs/dbraw/zinc/92/69/04/476926904.db2.gz BWPVYRZXINWGHW-VIFPVBQESA-N 1 0 346.309 2.735 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415502776 476930989 /nfs/dbraw/zinc/93/09/89/476930989.db2.gz NWVDGOHATAVBCQ-KBPBESRZSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415589944 476942671 /nfs/dbraw/zinc/94/26/71/476942671.db2.gz ZJWWTMGUHRPDER-BFHYXJOUSA-N 1 0 332.404 2.721 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000447093192 476952601 /nfs/dbraw/zinc/95/26/01/476952601.db2.gz HRZRXCZENYUVHR-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000447235985 476964631 /nfs/dbraw/zinc/96/46/31/476964631.db2.gz DPRJOEHWCKKWNW-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO CCCC[C@@H](C[NH3+])N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423304461 476988083 /nfs/dbraw/zinc/98/80/83/476988083.db2.gz YWKSDNXNUXORTI-HOCLYGCPSA-N 1 0 331.420 2.525 20 5 EFBDRO CC(C)N(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447510621 476999721 /nfs/dbraw/zinc/99/97/21/476999721.db2.gz PYHBZXUNORSGNK-CVEARBPZSA-N 1 0 337.468 2.983 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ccccc2)n1 ZINC000447511038 477000404 /nfs/dbraw/zinc/00/04/04/477000404.db2.gz RVVRJJNDDZNWQU-HOTGVXAUSA-N 1 0 330.388 2.944 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(O)CCCCCC2)n1 ZINC000447535352 477005975 /nfs/dbraw/zinc/00/59/75/477005975.db2.gz FJXDIJWXEWOFAU-HUUCEWRRSA-N 1 0 336.436 2.950 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNc2ccccn2)n1 ZINC000447575087 477015592 /nfs/dbraw/zinc/01/55/92/477015592.db2.gz QFHFYVKADIOTBA-HUUCEWRRSA-N 1 0 344.419 2.762 20 5 EFBDRO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583788 477017862 /nfs/dbraw/zinc/01/78/62/477017862.db2.gz CILHLBNYWJKZGX-CVEARBPZSA-N 1 0 329.404 2.811 20 5 EFBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447589644 477017935 /nfs/dbraw/zinc/01/79/35/477017935.db2.gz YTHOYUSLKGSGBH-HUUCEWRRSA-N 1 0 344.419 2.526 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC[C@@H]1O ZINC000447589164 477018345 /nfs/dbraw/zinc/01/83/45/477018345.db2.gz XDBLUPDJKXQDIN-PNBKFKSVSA-N 1 0 336.436 2.806 20 5 EFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000416097571 477018426 /nfs/dbraw/zinc/01/84/26/477018426.db2.gz FQNKRIAPPXLPJO-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[NH+](C)Cc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000447670529 477032503 /nfs/dbraw/zinc/03/25/03/477032503.db2.gz KDIJQNYNHHXEMT-UHFFFAOYSA-N 1 0 343.362 2.706 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000410642144 477035159 /nfs/dbraw/zinc/03/51/59/477035159.db2.gz XSNSEALYWQYUKL-KGLIPLIRSA-N 1 0 333.432 2.814 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH2+]C(C)(C)C ZINC000447799527 477058243 /nfs/dbraw/zinc/05/82/43/477058243.db2.gz JIGTYCADEJYCDW-UHFFFAOYSA-N 1 0 329.784 2.835 20 5 EFBDRO C[NH+](C)[C@@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000416183904 477058993 /nfs/dbraw/zinc/05/89/93/477058993.db2.gz LWFMTNYYKTXXML-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423529816 477064993 /nfs/dbraw/zinc/06/49/93/477064993.db2.gz VXLMCELCEQUSDE-UHFFFAOYSA-N 1 0 337.445 2.826 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000423586251 477076481 /nfs/dbraw/zinc/07/64/81/477076481.db2.gz YXWWVOCISKKXPV-LLVKDONJSA-N 1 0 343.836 2.599 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000366582446 477079209 /nfs/dbraw/zinc/07/92/09/477079209.db2.gz OQUJASUWFOAXSE-ZDUSSCGKSA-N 1 0 332.360 2.674 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000447898930 477088292 /nfs/dbraw/zinc/08/82/92/477088292.db2.gz ZZGXYZUQHOBDMW-AWEZNQCLSA-N 1 0 338.383 2.976 20 5 EFBDRO Cc1c(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423627363 477093294 /nfs/dbraw/zinc/09/32/94/477093294.db2.gz HHHJPKZSGBDMCI-UHFFFAOYSA-N 1 0 343.358 2.869 20 5 EFBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452833892 477101209 /nfs/dbraw/zinc/10/12/09/477101209.db2.gz BJANNKGWLAVXRA-YJBOKZPZSA-N 1 0 343.427 2.928 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000431840132 477105224 /nfs/dbraw/zinc/10/52/24/477105224.db2.gz KHTPEEYBYZEAFB-AWEZNQCLSA-N 1 0 349.431 2.520 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452850640 477106942 /nfs/dbraw/zinc/10/69/42/477106942.db2.gz MQZPVKZNTFSXBM-NVXWUHKLSA-N 1 0 333.432 2.887 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423682722 477107703 /nfs/dbraw/zinc/10/77/03/477107703.db2.gz GTJDFTWLPIOZGU-SNVBAGLBSA-N 1 0 345.852 2.974 20 5 EFBDRO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411086729 477110031 /nfs/dbraw/zinc/11/00/31/477110031.db2.gz PGPUBBZQPZICSG-CQSZACIVSA-N 1 0 334.420 2.581 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000447982658 477109983 /nfs/dbraw/zinc/10/99/83/477109983.db2.gz MHABJLJHYWNQOG-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000416301582 477114182 /nfs/dbraw/zinc/11/41/82/477114182.db2.gz LNBABNYSPBOHBM-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366654794 477117696 /nfs/dbraw/zinc/11/76/96/477117696.db2.gz MKAIVYKKRGHFPO-HUUCEWRRSA-N 1 0 347.415 2.590 20 5 EFBDRO COc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000423723145 477122763 /nfs/dbraw/zinc/12/27/63/477122763.db2.gz LDOSJRHOQRDPCD-UHFFFAOYSA-N 1 0 341.367 2.544 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOC[C@H](C)C1 ZINC000371099889 477122893 /nfs/dbraw/zinc/12/28/93/477122893.db2.gz MRQPWJXEPFXGTM-GHMZBOCLSA-N 1 0 341.795 2.544 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423719878 477123375 /nfs/dbraw/zinc/12/33/75/477123375.db2.gz NIEQANWPLXOAHV-RYUDHWBXSA-N 1 0 337.807 2.710 20 5 EFBDRO CCNc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448056825 477123602 /nfs/dbraw/zinc/12/36/02/477123602.db2.gz RTZPKHODHHAATF-INIZCTEOSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOC[C@H](C)C1 ZINC000371099891 477123998 /nfs/dbraw/zinc/12/39/98/477123998.db2.gz MRQPWJXEPFXGTM-MNOVXSKESA-N 1 0 341.795 2.544 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423734595 477126127 /nfs/dbraw/zinc/12/61/27/477126127.db2.gz DBHYAVTXWMQHHP-JTQLQIEISA-N 1 0 333.310 2.530 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411236291 477164510 /nfs/dbraw/zinc/16/45/10/477164510.db2.gz HTOORSAPQUAQGI-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432142059 477166967 /nfs/dbraw/zinc/16/69/67/477166967.db2.gz XSLFDUNDZOEPSC-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423832774 477174719 /nfs/dbraw/zinc/17/47/19/477174719.db2.gz ALMAFQIEZINGHN-ONERCXAPSA-N 1 0 337.807 2.785 20 5 EFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411281374 477181070 /nfs/dbraw/zinc/18/10/70/477181070.db2.gz HAYLUZIYIHXJST-GOSISDBHSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411290567 477183161 /nfs/dbraw/zinc/18/31/61/477183161.db2.gz JADOPBLZKSZSDT-HOTGVXAUSA-N 1 0 335.404 2.549 20 5 EFBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000448556491 477192013 /nfs/dbraw/zinc/19/20/13/477192013.db2.gz NIKZBSKITIVPIV-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCN2CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000453266282 477204952 /nfs/dbraw/zinc/20/49/52/477204952.db2.gz OGDBEPMJYIWNLF-QAPCUYQASA-N 1 0 347.459 2.754 20 5 EFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453297838 477209255 /nfs/dbraw/zinc/20/92/55/477209255.db2.gz SGRIBJZMRXPKTJ-XYJFISCASA-N 1 0 334.416 2.557 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000453352631 477212336 /nfs/dbraw/zinc/21/23/36/477212336.db2.gz JYHWDFNRXLWJJH-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000453354315 477212673 /nfs/dbraw/zinc/21/26/73/477212673.db2.gz LLIJARSHTADBOT-UONOGXRCSA-N 1 0 331.376 2.930 20 5 EFBDRO CCC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000453359692 477212969 /nfs/dbraw/zinc/21/29/69/477212969.db2.gz UQIYTEBPZRRMJX-FGTMMUONSA-N 1 0 333.432 2.889 20 5 EFBDRO O=C(CC[N@@H+](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411395192 477218854 /nfs/dbraw/zinc/21/88/54/477218854.db2.gz CZAABVHNJYBJSR-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC1(C)CCCN1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453389754 477219330 /nfs/dbraw/zinc/21/93/30/477219330.db2.gz GKWQHYUVHRDMJQ-LSDHHAIUSA-N 1 0 335.452 2.739 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411448212 477239498 /nfs/dbraw/zinc/23/94/98/477239498.db2.gz WSAXCFNKQMUZFE-QGZVFWFLSA-N 1 0 335.404 2.550 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000423982377 477244607 /nfs/dbraw/zinc/24/46/07/477244607.db2.gz RNOFZDBMFRNXLL-OAHLLOKOSA-N 1 0 343.383 2.596 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000366921071 477257799 /nfs/dbraw/zinc/25/77/99/477257799.db2.gz DODPDHDJYYXCKL-XZXOBPBMSA-N 1 0 340.379 2.868 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000366938874 477266964 /nfs/dbraw/zinc/26/69/64/477266964.db2.gz RYGSPRAZDKEGND-ZDUSSCGKSA-N 1 0 336.779 2.635 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424047505 477273807 /nfs/dbraw/zinc/27/38/07/477273807.db2.gz VMXRORGYXVMEHG-UHFFFAOYSA-N 1 0 347.390 2.617 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424057739 477277032 /nfs/dbraw/zinc/27/70/32/477277032.db2.gz CPFZDSNANGUCJQ-NQBHXWOUSA-N 1 0 339.823 2.623 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000366963752 477277692 /nfs/dbraw/zinc/27/76/92/477277692.db2.gz REKFOCQRTPXFNY-CQSZACIVSA-N 1 0 343.339 2.986 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424070554 477281159 /nfs/dbraw/zinc/28/11/59/477281159.db2.gz CQPIXTYJJODZHG-HNNXBMFYSA-N 1 0 325.368 2.687 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376366983 477301457 /nfs/dbraw/zinc/30/14/57/477301457.db2.gz IPGHVRAYDNQKRZ-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433143598 477310349 /nfs/dbraw/zinc/31/03/49/477310349.db2.gz ZLJYDAQALVBNFW-DOMZBBRYSA-N 1 0 331.372 2.807 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454650817 477312631 /nfs/dbraw/zinc/31/26/31/477312631.db2.gz UVSAGJFRXGZJIJ-HOCLYGCPSA-N 1 0 348.447 2.824 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458192873 477313910 /nfs/dbraw/zinc/31/39/10/477313910.db2.gz PIEYNYWAEVXCTM-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376409743 477321735 /nfs/dbraw/zinc/32/17/35/477321735.db2.gz UDJWJXCPOSUUJU-ZFWWWQNUSA-N 1 0 347.415 2.610 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673775 477322292 /nfs/dbraw/zinc/32/22/92/477322292.db2.gz NEZNJAUKVUVJMY-CJNGLKHVSA-N 1 0 335.404 2.549 20 5 EFBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000433946739 477329411 /nfs/dbraw/zinc/32/94/11/477329411.db2.gz VYLXBJLWRVWPQY-VLMYMSAOSA-N 1 0 342.399 2.851 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411691441 477329436 /nfs/dbraw/zinc/32/94/36/477329436.db2.gz CBBPYASJYKBRQN-HOTGVXAUSA-N 1 0 333.388 2.567 20 5 EFBDRO COCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000411694207 477331756 /nfs/dbraw/zinc/33/17/56/477331756.db2.gz NATPQMMSGBBCEQ-HNNXBMFYSA-N 1 0 337.420 2.964 20 5 EFBDRO Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1C[NH+](C)C ZINC000458284714 477335078 /nfs/dbraw/zinc/33/50/78/477335078.db2.gz NMZSXYREPAFGKG-UHFFFAOYSA-N 1 0 345.403 2.535 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000434427302 477335641 /nfs/dbraw/zinc/33/56/41/477335641.db2.gz ZWGCUSSNFSBJDO-CYBMUJFWSA-N 1 0 342.399 2.823 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411720886 477344985 /nfs/dbraw/zinc/34/49/85/477344985.db2.gz QYOPVXLSFJLCIS-OAHLLOKOSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448953973 477357115 /nfs/dbraw/zinc/35/71/15/477357115.db2.gz ITNXNHJQOCAPCE-INIZCTEOSA-N 1 0 347.415 2.548 20 5 EFBDRO O=C(CC[N@@H+]1CCSC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411793411 477371036 /nfs/dbraw/zinc/37/10/36/477371036.db2.gz RXNOEWOFCBRYQG-OAHLLOKOSA-N 1 0 335.429 2.751 20 5 EFBDRO C[NH+]1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000435815468 477375603 /nfs/dbraw/zinc/37/56/03/477375603.db2.gz CTTCHEKRGURIPF-UHFFFAOYSA-N 1 0 335.407 2.505 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411967861 477400375 /nfs/dbraw/zinc/40/03/75/477400375.db2.gz IVFFARVODHIYCE-PXAZEXFGSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411971583 477401330 /nfs/dbraw/zinc/40/13/30/477401330.db2.gz UERVPZCZIXDMGY-KUHUBIRLSA-N 1 0 339.395 2.785 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411971582 477402036 /nfs/dbraw/zinc/40/20/36/477402036.db2.gz UERVPZCZIXDMGY-IFXJQAMLSA-N 1 0 339.395 2.785 20 5 EFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000424433306 477405227 /nfs/dbraw/zinc/40/52/27/477405227.db2.gz IHYDTFJXICXTSR-UHFFFAOYSA-N 1 0 340.383 2.952 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000367276596 477427182 /nfs/dbraw/zinc/42/71/82/477427182.db2.gz DCQAURCYZPSULS-AWEZNQCLSA-N 1 0 347.415 2.612 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000376616462 477431157 /nfs/dbraw/zinc/43/11/57/477431157.db2.gz XWOVCOGJWZUPLU-AEBAWRHJSA-N 1 0 344.396 2.519 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000449089277 477433459 /nfs/dbraw/zinc/43/34/59/477433459.db2.gz JROGJUFDECEBHZ-QWHCGFSZSA-N 1 0 345.365 3.000 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000449094419 477435978 /nfs/dbraw/zinc/43/59/78/477435978.db2.gz RUBOLGVRZNWCCM-AWEZNQCLSA-N 1 0 348.424 2.589 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449097041 477437598 /nfs/dbraw/zinc/43/75/98/477437598.db2.gz KMXHRCHVIWAPDS-NVXWUHKLSA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000449100410 477438748 /nfs/dbraw/zinc/43/87/48/477438748.db2.gz WWKRZLOUURZCSO-BBRMVZONSA-N 1 0 348.374 2.694 20 5 EFBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417387425 477453629 /nfs/dbraw/zinc/45/36/29/477453629.db2.gz ZCEFHZWRMFDFEE-CZUORRHYSA-N 1 0 337.420 2.963 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412978146 477461755 /nfs/dbraw/zinc/46/17/55/477461755.db2.gz MSJLTZDYQHZDTM-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449161417 477463180 /nfs/dbraw/zinc/46/31/80/477463180.db2.gz FJXQNQCVTOHCNB-CQSZACIVSA-N 1 0 345.399 2.837 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436349829 477467735 /nfs/dbraw/zinc/46/77/35/477467735.db2.gz RXMKTNQFZHHZFX-UHFFFAOYSA-N 1 0 349.434 2.849 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000449175849 477471761 /nfs/dbraw/zinc/47/17/61/477471761.db2.gz LFDRHRADKDFNAY-CQSZACIVSA-N 1 0 333.432 2.907 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418424092 477473972 /nfs/dbraw/zinc/47/39/72/477473972.db2.gz JZXGEYBNJXLHJM-PBHICJAKSA-N 1 0 346.431 2.786 20 5 EFBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCOCC1 ZINC000436403829 477475449 /nfs/dbraw/zinc/47/54/49/477475449.db2.gz KDKVZNMZAAIGQQ-UHFFFAOYSA-N 1 0 348.325 2.531 20 5 EFBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436402878 477476196 /nfs/dbraw/zinc/47/61/96/477476196.db2.gz CHBKBKUQVNNESD-JTQLQIEISA-N 1 0 348.325 2.531 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367377884 477481701 /nfs/dbraw/zinc/48/17/01/477481701.db2.gz HJBNPVWVDXRAHL-ZDUSSCGKSA-N 1 0 349.456 2.678 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCCCCC1 ZINC000449220719 477492439 /nfs/dbraw/zinc/49/24/39/477492439.db2.gz RAVJEJTXSXORMJ-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000413062593 477493747 /nfs/dbraw/zinc/49/37/47/477493747.db2.gz RIXYSBWZFSWJQK-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094720 477497143 /nfs/dbraw/zinc/49/71/43/477497143.db2.gz PJUOFBPCEHLAKT-WMLDXEAASA-N 1 0 346.431 2.926 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000449238508 477501690 /nfs/dbraw/zinc/50/16/90/477501690.db2.gz RPYDRKORHSNHSO-RNJTYBCJSA-N 1 0 334.416 2.842 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000413085512 477508470 /nfs/dbraw/zinc/50/84/70/477508470.db2.gz WJBFEGQDWZLESQ-UHFFFAOYSA-N 1 0 331.351 2.600 20 5 EFBDRO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413091144 477510647 /nfs/dbraw/zinc/51/06/47/477510647.db2.gz KJOQFYNSPPFYKI-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1cc(F)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000449285777 477524414 /nfs/dbraw/zinc/52/44/14/477524414.db2.gz FVNYAXLMGICCNC-UHFFFAOYSA-N 1 0 334.351 2.776 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449293822 477529112 /nfs/dbraw/zinc/52/91/12/477529112.db2.gz WSVSGPCJNULBIH-LBPRGKRZSA-N 1 0 328.372 2.669 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455177775 477532144 /nfs/dbraw/zinc/53/21/44/477532144.db2.gz ZDLTVXHHKUIULJ-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO CNC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449303320 477534828 /nfs/dbraw/zinc/53/48/28/477534828.db2.gz XVJXLWJGYUJGMA-WMLDXEAASA-N 1 0 341.411 2.993 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413136982 477539368 /nfs/dbraw/zinc/53/93/68/477539368.db2.gz HSZRXWRFAOEMSL-SWLSCSKDSA-N 1 0 340.399 2.678 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449569406 477567659 /nfs/dbraw/zinc/56/76/59/477567659.db2.gz GUFCNWLSBGEYIX-KGLIPLIRSA-N 1 0 348.447 2.688 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372009128 477597547 /nfs/dbraw/zinc/59/75/47/477597547.db2.gz IPIAOVKDDYOYIL-AEFFLSMTSA-N 1 0 345.443 2.860 20 5 EFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000367615395 477603205 /nfs/dbraw/zinc/60/32/05/477603205.db2.gz KLSFUMJEGXKPOC-YESZJQIVSA-N 1 0 344.415 2.732 20 5 EFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1(C)C ZINC000413281381 477608341 /nfs/dbraw/zinc/60/83/41/477608341.db2.gz KJTXJCRWOZLEQY-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425043001 477615228 /nfs/dbraw/zinc/61/52/28/477615228.db2.gz FFUGKPBMOWWPCA-HEHGZKQESA-N 1 0 349.456 2.628 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372062036 477620727 /nfs/dbraw/zinc/62/07/27/477620727.db2.gz CRSBWXPBMDMBNM-UONOGXRCSA-N 1 0 332.404 2.960 20 5 EFBDRO CC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000450532442 477622532 /nfs/dbraw/zinc/62/25/32/477622532.db2.gz XATGPINEUYAJAA-LBPRGKRZSA-N 1 0 330.388 2.682 20 5 EFBDRO CC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000450532441 477623054 /nfs/dbraw/zinc/62/30/54/477623054.db2.gz XATGPINEUYAJAA-GFCCVEGCSA-N 1 0 330.388 2.682 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425061068 477623221 /nfs/dbraw/zinc/62/32/21/477623221.db2.gz XUJQNXRZRVXXMM-SWLSCSKDSA-N 1 0 349.456 2.873 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425065056 477626662 /nfs/dbraw/zinc/62/66/62/477626662.db2.gz JVWCRMBVPXGXKJ-XYJFISCASA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000420199567 477635318 /nfs/dbraw/zinc/63/53/18/477635318.db2.gz DITQFXWXDLVSPR-LLVKDONJSA-N 1 0 349.412 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)cc1C(F)(F)F ZINC000450590920 477644692 /nfs/dbraw/zinc/64/46/92/477644692.db2.gz FEOBBDNAOPGZGE-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894601 477645534 /nfs/dbraw/zinc/64/55/34/477645534.db2.gz ZWGOJVCIPXTYQU-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO [NH3+]CCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420239705 477646546 /nfs/dbraw/zinc/64/65/46/477646546.db2.gz SXFHOTQIJFYZAQ-UHFFFAOYSA-N 1 0 328.241 2.795 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420275311 477658196 /nfs/dbraw/zinc/65/81/96/477658196.db2.gz GSFFVXKBCVBMEU-VXGBXAGGSA-N 1 0 330.388 2.503 20 5 EFBDRO COc1ccc([C@H](C[NH3+])CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000420303391 477675904 /nfs/dbraw/zinc/67/59/04/477675904.db2.gz NFYKPHIJYXHXMX-QGZVFWFLSA-N 1 0 341.411 2.704 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437278798 477690558 /nfs/dbraw/zinc/69/05/58/477690558.db2.gz VXIHDUFHGCYZHW-JTQLQIEISA-N 1 0 345.321 2.780 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000450780682 477713529 /nfs/dbraw/zinc/71/35/29/477713529.db2.gz QVOWTMZQFJXSNX-CJNGLKHVSA-N 1 0 342.374 2.936 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C[C@@H]21 ZINC000450782568 477715096 /nfs/dbraw/zinc/71/50/96/477715096.db2.gz YHAOEFXGIFTPRC-DOMZBBRYSA-N 1 0 330.413 2.859 20 5 EFBDRO C[N@@H+]1CCCC12CCN(c1ncnc3sc([N+](=O)[O-])cc31)CC2 ZINC000367843557 477716292 /nfs/dbraw/zinc/71/62/92/477716292.db2.gz OKYMRRQBXDEMRJ-UHFFFAOYSA-N 1 0 333.417 2.664 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[N@H+]1CCO ZINC000450788472 477717174 /nfs/dbraw/zinc/71/71/74/477717174.db2.gz HVPYZEALFVLEDG-PHIMTYICSA-N 1 0 347.337 2.505 20 5 EFBDRO CC(C)(C)[C@@H](CN)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420358431 477719162 /nfs/dbraw/zinc/71/91/62/477719162.db2.gz ISSXXUQTMKFFTN-OAHLLOKOSA-N 1 0 332.404 2.755 20 5 EFBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450798629 477720182 /nfs/dbraw/zinc/72/01/82/477720182.db2.gz VUOKLVCNOSUJDF-ZBFHGGJFSA-N 1 0 339.399 2.501 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000450802178 477722252 /nfs/dbraw/zinc/72/22/52/477722252.db2.gz YIMHPFLNACPYFK-BXKDBHETSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450806665 477723859 /nfs/dbraw/zinc/72/38/59/477723859.db2.gz FIPBLELWSALRLR-CQSZACIVSA-N 1 0 341.415 2.652 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420370302 477729266 /nfs/dbraw/zinc/72/92/66/477729266.db2.gz OXKDFYXTUWUSPC-FHSNZYRGSA-N 1 0 344.415 2.768 20 5 EFBDRO [NH3+]C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000420375102 477731599 /nfs/dbraw/zinc/73/15/99/477731599.db2.gz SOARQKREKPURCG-OAHLLOKOSA-N 1 0 345.403 2.642 20 5 EFBDRO Cc1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000377314692 477735029 /nfs/dbraw/zinc/73/50/29/477735029.db2.gz FIVWHWBAOXIDPC-YIONKMFJSA-N 1 0 332.404 2.992 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000420406377 477751995 /nfs/dbraw/zinc/75/19/95/477751995.db2.gz NUYPHNKTZJHZDE-GOSISDBHSA-N 1 0 327.384 2.620 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H]4CCC[C@@H](C3)[NH2+]4)o2)c1 ZINC000420405902 477752294 /nfs/dbraw/zinc/75/22/94/477752294.db2.gz UFLYTEWGXPVIHA-GASCZTMLSA-N 1 0 342.399 2.619 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000426881245 477754826 /nfs/dbraw/zinc/75/48/26/477754826.db2.gz CVGRKQAJYKCWDQ-INIZCTEOSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427196811 477765145 /nfs/dbraw/zinc/76/51/45/477765145.db2.gz AIXWVKLBASHLJI-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372348791 477765367 /nfs/dbraw/zinc/76/53/67/477765367.db2.gz YCWYQPPYSINFMY-DOTOQJQBSA-N 1 0 341.411 2.710 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C)CCC(F)(F)F ZINC000427223084 477768709 /nfs/dbraw/zinc/76/87/09/477768709.db2.gz DFSHERPOWSFZTM-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000450951960 477774093 /nfs/dbraw/zinc/77/40/93/477774093.db2.gz GYNARQRCPSMONO-JTQLQIEISA-N 1 0 343.225 2.671 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437967615 477781097 /nfs/dbraw/zinc/78/10/97/477781097.db2.gz BYIKHHDYCDGTAN-AWEZNQCLSA-N 1 0 344.415 2.506 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000427847828 477781280 /nfs/dbraw/zinc/78/12/80/477781280.db2.gz KWEOTSBJHHEGLF-OLZOCXBDSA-N 1 0 335.404 2.548 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427881900 477783626 /nfs/dbraw/zinc/78/36/26/477783626.db2.gz KJAIQKKBFHBWRZ-GXTWGEPZSA-N 1 0 330.388 2.856 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427881901 477784308 /nfs/dbraw/zinc/78/43/08/477784308.db2.gz KJAIQKKBFHBWRZ-JSGCOSHPSA-N 1 0 330.388 2.856 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493790332 477825263 /nfs/dbraw/zinc/82/52/63/477825263.db2.gz YEVLRYUBVPKANI-QTEJZOKPSA-N 1 0 347.390 2.690 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110118 477829405 /nfs/dbraw/zinc/82/94/05/477829405.db2.gz ZPNYTMGCDGOBFF-JQWIXIFHSA-N 1 0 345.403 2.623 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000493799625 477830067 /nfs/dbraw/zinc/83/00/67/477830067.db2.gz YOYKROUHOVCZHU-NHIYEVNCSA-N 1 0 335.379 2.579 20 5 EFBDRO CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000493806307 477834525 /nfs/dbraw/zinc/83/45/25/477834525.db2.gz WFDXCJCGSCNXEX-DDJMYBDESA-N 1 0 335.379 2.738 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000493823614 477843002 /nfs/dbraw/zinc/84/30/02/477843002.db2.gz NVTYYPBNMFDSRQ-RXTQTKKPSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000515639272 477847542 /nfs/dbraw/zinc/84/75/42/477847542.db2.gz CDQOVXZBHXLQQI-ROUUACIJSA-N 1 0 347.415 2.718 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493854742 477858523 /nfs/dbraw/zinc/85/85/23/477858523.db2.gz MECNJTFPYVAFJW-ONNFQVAWSA-N 1 0 335.379 2.736 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000438565404 477866342 /nfs/dbraw/zinc/86/63/42/477866342.db2.gz CPGOHTDSZMFDFD-UHFFFAOYSA-N 1 0 342.399 2.750 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456336573 477869240 /nfs/dbraw/zinc/86/92/40/477869240.db2.gz YCQBRTXGSSOSPW-UNPWZGGWSA-N 1 0 345.443 2.905 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCC3CCCC3)C2)nc1 ZINC000459377343 477874136 /nfs/dbraw/zinc/87/41/36/477874136.db2.gz MIEWUOOUOSEHSA-OAHLLOKOSA-N 1 0 334.420 2.683 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220388 477885786 /nfs/dbraw/zinc/88/57/86/477885786.db2.gz VPZMUYHPNYTICQ-ZDUSSCGKSA-N 1 0 349.431 2.717 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000456362449 477887220 /nfs/dbraw/zinc/88/72/20/477887220.db2.gz WMZPXYODPPERCB-INIZCTEOSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000438837842 477891276 /nfs/dbraw/zinc/89/12/76/477891276.db2.gz TYIOSRQFQSXZSV-CZUORRHYSA-N 1 0 333.432 2.777 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000438837838 477891972 /nfs/dbraw/zinc/89/19/72/477891972.db2.gz TYIOSRQFQSXZSV-BBRMVZONSA-N 1 0 333.432 2.777 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000558603500 477893669 /nfs/dbraw/zinc/89/36/69/477893669.db2.gz XYWGYEUVYCNWPW-SNVBAGLBSA-N 1 0 345.241 2.707 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@]34CCOC4)o2)c1 ZINC000421011316 477900470 /nfs/dbraw/zinc/90/04/70/477900470.db2.gz DKNVSWPNOVNPJJ-KRWDZBQOSA-N 1 0 329.356 2.657 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421013891 477901338 /nfs/dbraw/zinc/90/13/38/477901338.db2.gz JPIOGORMABHHPH-LSDHHAIUSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421013879 477902323 /nfs/dbraw/zinc/90/23/23/477902323.db2.gz JPIOGORMABHHPH-CABCVRRESA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438903070 477902882 /nfs/dbraw/zinc/90/28/82/477902882.db2.gz PQWZGTJPVIHERJ-KGLIPLIRSA-N 1 0 333.432 2.825 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000438939130 477905948 /nfs/dbraw/zinc/90/59/48/477905948.db2.gz XJZUGNUVQHKDLE-CMPLNLGQSA-N 1 0 325.796 2.769 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000438939135 477906748 /nfs/dbraw/zinc/90/67/48/477906748.db2.gz XJZUGNUVQHKDLE-ZYHUDNBSSA-N 1 0 325.796 2.769 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000421019665 477910168 /nfs/dbraw/zinc/91/01/68/477910168.db2.gz PZCIACMRUQZCEO-LBPRGKRZSA-N 1 0 326.368 2.727 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000516250298 477913666 /nfs/dbraw/zinc/91/36/66/477913666.db2.gz FJZHFESUGVOMSE-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](CCO)CC3)n2)cc1 ZINC000421024470 477915210 /nfs/dbraw/zinc/91/52/10/477915210.db2.gz XJNHTJAMDHHPGX-ZDUSSCGKSA-N 1 0 346.387 2.629 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428533370 477920732 /nfs/dbraw/zinc/92/07/32/477920732.db2.gz GXDSZEFHRFVDDF-WMZOPIPTSA-N 1 0 330.359 2.990 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462880551 477921608 /nfs/dbraw/zinc/92/16/08/477921608.db2.gz DFFLSKWATNQDNK-XFBWCDHKSA-N 1 0 349.456 2.580 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428542745 477926239 /nfs/dbraw/zinc/92/62/39/477926239.db2.gz YFNKFXPMMMOIOL-MSOLQXFVSA-N 1 0 330.359 2.990 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000421039325 477926822 /nfs/dbraw/zinc/92/68/22/477926822.db2.gz VECBPEOJDXFFFG-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000421039327 477927372 /nfs/dbraw/zinc/92/73/72/477927372.db2.gz VECBPEOJDXFFFG-NSHDSACASA-N 1 0 328.796 2.922 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451302505 477942006 /nfs/dbraw/zinc/94/20/06/477942006.db2.gz OQCXQJILZCAHLU-UHFFFAOYSA-N 1 0 341.383 2.546 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000459513318 477947629 /nfs/dbraw/zinc/94/76/29/477947629.db2.gz RNYVCLRQDIFDPN-UHFFFAOYSA-N 1 0 344.390 2.884 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2ccsc2)CC1 ZINC000459516433 477947717 /nfs/dbraw/zinc/94/77/17/477947717.db2.gz VCHLRXLMLLJVEV-UHFFFAOYSA-N 1 0 332.429 2.806 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000558984816 477949895 /nfs/dbraw/zinc/94/98/95/477949895.db2.gz GMETXASFPGDUOI-NSHDSACASA-N 1 0 328.210 2.888 20 5 EFBDRO CCc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459521697 477952383 /nfs/dbraw/zinc/95/23/83/477952383.db2.gz ZYEUUJNDDGOYFB-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459524167 477953818 /nfs/dbraw/zinc/95/38/18/477953818.db2.gz HPEJWGCTQWWCKA-MRXNPFEDSA-N 1 0 344.415 2.712 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000532625209 477959304 /nfs/dbraw/zinc/95/93/04/477959304.db2.gz VAGYJDCLESLGBL-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000456525068 477965680 /nfs/dbraw/zinc/96/56/80/477965680.db2.gz QCZXTIOLAGIZBB-CQSZACIVSA-N 1 0 333.432 2.815 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421110194 477966366 /nfs/dbraw/zinc/96/63/66/477966366.db2.gz AWPHPRMBZKEGCD-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459548319 477966406 /nfs/dbraw/zinc/96/64/06/477966406.db2.gz XSPHTHBYQMADQA-QGZVFWFLSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000494373417 477973298 /nfs/dbraw/zinc/97/32/98/477973298.db2.gz XZSJQZZFHMUTDP-HEHGZKQESA-N 1 0 332.404 2.789 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000559294272 477974276 /nfs/dbraw/zinc/97/42/76/477974276.db2.gz UICVEENVCVIKPB-CQSZACIVSA-N 1 0 333.432 2.719 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000494375876 477974605 /nfs/dbraw/zinc/97/46/05/477974605.db2.gz RWLHADYJXPFMBE-XEZPLFJOSA-N 1 0 332.404 2.789 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456549971 477979275 /nfs/dbraw/zinc/97/92/75/477979275.db2.gz KZFJYTYAZBNMJJ-ZDUSSCGKSA-N 1 0 337.445 2.630 20 5 EFBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000451402739 477994524 /nfs/dbraw/zinc/99/45/24/477994524.db2.gz KAIBZOFMHUPCJE-UHFFFAOYSA-N 1 0 329.404 2.590 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000439510610 477994904 /nfs/dbraw/zinc/99/49/04/477994904.db2.gz GZKIURKRTJNTKG-TUKIKUTGSA-N 1 0 335.404 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)nc2c1 ZINC000451415777 478002395 /nfs/dbraw/zinc/00/23/95/478002395.db2.gz JUCMIFVLHFOJMY-YUELXQCFSA-N 1 0 331.372 2.861 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000494543264 478005991 /nfs/dbraw/zinc/00/59/91/478005991.db2.gz AUMRIONKHJMOBE-ZFWWWQNUSA-N 1 0 346.431 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)nc2c1 ZINC000451420215 478006890 /nfs/dbraw/zinc/00/68/90/478006890.db2.gz NAQWKWBBYSNDGR-WQVCFCJDSA-N 1 0 330.388 2.597 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000451428274 478012972 /nfs/dbraw/zinc/01/29/72/478012972.db2.gz YBLPBLRKHZVSSS-IUIKQTSFSA-N 1 0 326.343 2.998 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000439693112 478018260 /nfs/dbraw/zinc/01/82/60/478018260.db2.gz SCYBXGMKPCUDBA-INIZCTEOSA-N 1 0 349.431 2.600 20 5 EFBDRO CC1(C)CCC[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000517009156 478033567 /nfs/dbraw/zinc/03/35/67/478033567.db2.gz WNHHCIGQLYBSEI-UHFFFAOYSA-N 1 0 345.403 2.778 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451476052 478037899 /nfs/dbraw/zinc/03/78/99/478037899.db2.gz DSBKYJBLBSTTOD-HOTGVXAUSA-N 1 0 347.415 2.861 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429019943 478038873 /nfs/dbraw/zinc/03/88/73/478038873.db2.gz KNYIMBQHIQUSNC-CKEIUWERSA-N 1 0 333.432 2.766 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451481508 478041240 /nfs/dbraw/zinc/04/12/40/478041240.db2.gz RHHGYGYSEZBQRY-HOTGVXAUSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000429033004 478045190 /nfs/dbraw/zinc/04/51/90/478045190.db2.gz YWNKRZNPSBQPAS-PBFPGSCMSA-N 1 0 343.431 2.633 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451490341 478048274 /nfs/dbraw/zinc/04/82/74/478048274.db2.gz HVDJVAWCDUVGAE-OLZOCXBDSA-N 1 0 332.360 2.548 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@H]1OCc1ccccc1 ZINC000451491663 478048371 /nfs/dbraw/zinc/04/83/71/478048371.db2.gz HVNUYYSADMYRPA-HZPDHXFCSA-N 1 0 344.415 2.765 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451493234 478049508 /nfs/dbraw/zinc/04/95/08/478049508.db2.gz DWUOQDFQXQRXFQ-AFAVFJNCSA-N 1 0 349.431 2.881 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451508831 478059344 /nfs/dbraw/zinc/05/93/44/478059344.db2.gz YLZYRJVCFOENPU-JCURWCKSSA-N 1 0 349.431 2.881 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451509927 478059834 /nfs/dbraw/zinc/05/98/34/478059834.db2.gz XIYSKXSDRADZER-HOTGVXAUSA-N 1 0 344.415 2.802 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451512748 478060169 /nfs/dbraw/zinc/06/01/69/478060169.db2.gz XZQKREGFPHUHJC-GJZGRUSLSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000459742822 478069017 /nfs/dbraw/zinc/06/90/17/478069017.db2.gz CZJJRPKKAQGBRG-HZPDHXFCSA-N 1 0 347.415 2.779 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C2CCCC2)CC1 ZINC000429200747 478077638 /nfs/dbraw/zinc/07/76/38/478077638.db2.gz RGHBZGXBUKTTIO-UHFFFAOYSA-N 1 0 347.415 2.754 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000487861898 478079306 /nfs/dbraw/zinc/07/93/06/478079306.db2.gz TWUUKUANGVVRFQ-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[N@@H+]1C ZINC000421412268 478079658 /nfs/dbraw/zinc/07/96/58/478079658.db2.gz SDXXGUULHXFNCN-CYBMUJFWSA-N 1 0 329.347 2.722 20 5 EFBDRO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545520 478080926 /nfs/dbraw/zinc/08/09/26/478080926.db2.gz HPNZOTGLQFDKTR-DOTOQJQBSA-N 1 0 331.416 2.784 20 5 EFBDRO NC(=O)C1(NCc2c(F)cccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459774364 478085398 /nfs/dbraw/zinc/08/53/98/478085398.db2.gz IZUMCOPRNIZCRF-UHFFFAOYSA-N 1 0 347.390 2.504 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC000487940690 478089332 /nfs/dbraw/zinc/08/93/32/478089332.db2.gz BQIINBXPUYCSJL-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO C[C@@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786123 478090390 /nfs/dbraw/zinc/09/03/90/478090390.db2.gz BDHBPUVHZJPULA-ZDUSSCGKSA-N 1 0 338.404 2.883 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487963672 478093357 /nfs/dbraw/zinc/09/33/57/478093357.db2.gz RNLXWGAWIQUKAT-UKRRQHHQSA-N 1 0 335.404 2.670 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000451559066 478093856 /nfs/dbraw/zinc/09/38/56/478093856.db2.gz FOANJZOQZREQGB-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487987736 478099697 /nfs/dbraw/zinc/09/96/97/478099697.db2.gz KWEFRTPKMYFSEM-RHSMWYFYSA-N 1 0 348.447 2.502 20 5 EFBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000429351848 478119098 /nfs/dbraw/zinc/11/90/98/478119098.db2.gz GIIJXQCSEFFBNN-CYBMUJFWSA-N 1 0 343.431 2.777 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C(C)C ZINC000429359139 478120379 /nfs/dbraw/zinc/12/03/79/478120379.db2.gz AWAKBWXDQSJGKF-BBRMVZONSA-N 1 0 336.388 2.623 20 5 EFBDRO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429366447 478121984 /nfs/dbraw/zinc/12/19/84/478121984.db2.gz MESXWFCWIUFDBK-CQSZACIVSA-N 1 0 333.432 2.910 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534223574 478130399 /nfs/dbraw/zinc/13/03/99/478130399.db2.gz MRLOZCJBNLFVEE-LBPRGKRZSA-N 1 0 330.388 2.536 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534286113 478136693 /nfs/dbraw/zinc/13/66/93/478136693.db2.gz DYOICRGLNISJGY-CYBMUJFWSA-N 1 0 342.399 2.603 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000518224904 478152850 /nfs/dbraw/zinc/15/28/50/478152850.db2.gz JCOWBRAXYZPMKJ-CHWSQXEVSA-N 1 0 334.420 2.629 20 5 EFBDRO CO[C@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1OC ZINC000488542910 478159341 /nfs/dbraw/zinc/15/93/41/478159341.db2.gz KRLFQYGHWJBUBX-IRXDYDNUSA-N 1 0 332.356 2.700 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561158293 478159690 /nfs/dbraw/zinc/15/96/90/478159690.db2.gz ADTCPXDWUAYHET-UHFFFAOYSA-N 1 0 335.433 2.910 20 5 EFBDRO CNc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000561258093 478170973 /nfs/dbraw/zinc/17/09/73/478170973.db2.gz DGXUKLRRIQPJQN-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000518527818 478175650 /nfs/dbraw/zinc/17/56/50/478175650.db2.gz HSQKIVOFAKRZKU-QGZVFWFLSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H](C)C1 ZINC000488747163 478178683 /nfs/dbraw/zinc/17/86/83/478178683.db2.gz IJVGZISGKPGFIN-DCGLDWPTSA-N 1 0 330.432 2.729 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488763653 478179893 /nfs/dbraw/zinc/17/98/93/478179893.db2.gz JSXKSTKVZSRSFZ-WOSRLPQWSA-N 1 0 347.415 2.548 20 5 EFBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](CO)CC(C)(C)C ZINC000451778160 478201017 /nfs/dbraw/zinc/20/10/17/478201017.db2.gz CUXIVDGIDVGTGY-AWEZNQCLSA-N 1 0 348.403 2.874 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451785875 478204015 /nfs/dbraw/zinc/20/40/15/478204015.db2.gz VWGAOHDMRJYJAY-CQSZACIVSA-N 1 0 337.420 2.571 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccsc2)CC1 ZINC000535260858 478204566 /nfs/dbraw/zinc/20/45/66/478204566.db2.gz KEGZTUUVLRNISC-UHFFFAOYSA-N 1 0 345.424 2.543 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)cccc1[N+](=O)[O-] ZINC000562018608 478213275 /nfs/dbraw/zinc/21/32/75/478213275.db2.gz BCRYZBYLQOSSOB-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562300323 478229364 /nfs/dbraw/zinc/22/93/64/478229364.db2.gz KFEWPJKDSSJQKI-RHSMWYFYSA-N 1 0 331.416 2.785 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccncc2)C1 ZINC000562444218 478250435 /nfs/dbraw/zinc/25/04/35/478250435.db2.gz NYVNZXYJQDLDLU-DZGCQCFKSA-N 1 0 340.383 2.806 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536843462 478276005 /nfs/dbraw/zinc/27/60/05/478276005.db2.gz CXOPJDGZGPJUMZ-ABAIWWIYSA-N 1 0 343.387 2.702 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(O)cc1 ZINC000536849719 478277068 /nfs/dbraw/zinc/27/70/68/478277068.db2.gz CUOAGYDMTVEPBG-CYBMUJFWSA-N 1 0 343.383 2.850 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000590661481 478279446 /nfs/dbraw/zinc/27/94/46/478279446.db2.gz WKFUNCXHFGGSHU-BDJLRTHQSA-N 1 0 332.356 2.819 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000590659596 478279662 /nfs/dbraw/zinc/27/96/62/478279662.db2.gz UUVIFWDWFRURAH-MLGOLLRUSA-N 1 0 336.388 2.628 20 5 EFBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590661466 478279942 /nfs/dbraw/zinc/27/99/42/478279942.db2.gz SZMPLJHFZWTFPN-IRXDYDNUSA-N 1 0 348.399 2.755 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590774978 478331623 /nfs/dbraw/zinc/33/16/23/478331623.db2.gz AQGBLUWIICFQKB-WBVHZDCISA-N 1 0 331.416 2.785 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000570322255 478334390 /nfs/dbraw/zinc/33/43/90/478334390.db2.gz FSXMDUCKTVONQG-RDJZCZTQSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000537952370 478340072 /nfs/dbraw/zinc/34/00/72/478340072.db2.gz CBHUCNNTRKGALM-UHFFFAOYSA-N 1 0 332.322 2.963 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594389109 478357222 /nfs/dbraw/zinc/35/72/22/478357222.db2.gz FJQMDTKSGJQVJR-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000590830516 478360107 /nfs/dbraw/zinc/36/01/07/478360107.db2.gz MGNOQXUPGGYQMQ-QGZVFWFLSA-N 1 0 332.404 2.771 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594431172 478381896 /nfs/dbraw/zinc/38/18/96/478381896.db2.gz IZUYJQXZRCNKGL-AEFFLSMTSA-N 1 0 331.416 2.722 20 5 EFBDRO Cc1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000581543316 478383745 /nfs/dbraw/zinc/38/37/45/478383745.db2.gz BTWIKQQJBXLQTM-UHFFFAOYSA-N 1 0 334.401 2.521 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)n1 ZINC000570537712 478383903 /nfs/dbraw/zinc/38/39/03/478383903.db2.gz LKEQLPMPXJHLEK-UHFFFAOYSA-N 1 0 327.388 2.512 20 5 EFBDRO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000590942923 478409590 /nfs/dbraw/zinc/40/95/90/478409590.db2.gz RAJOOYWAPCHVPX-AWEZNQCLSA-N 1 0 346.431 2.926 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(CC(F)F)CC1 ZINC000594494240 478409893 /nfs/dbraw/zinc/40/98/93/478409893.db2.gz XDHGAHMWVIOQLV-CQSZACIVSA-N 1 0 325.359 2.901 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000563001523 478411882 /nfs/dbraw/zinc/41/18/82/478411882.db2.gz WDLMIUHSLGUMJO-OCCSQVGLSA-N 1 0 344.358 2.750 20 5 EFBDRO CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594496603 478412034 /nfs/dbraw/zinc/41/20/34/478412034.db2.gz PNHGJTWDJWGQSA-MSOLQXFVSA-N 1 0 333.432 2.889 20 5 EFBDRO Cc1c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000594501331 478413939 /nfs/dbraw/zinc/41/39/39/478413939.db2.gz UGVJHTZQSFCEGI-QGZVFWFLSA-N 1 0 333.432 2.636 20 5 EFBDRO CC[C@@H]1CN(C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563022652 478421002 /nfs/dbraw/zinc/42/10/02/478421002.db2.gz CAYXIOOTHIQASZ-OAHLLOKOSA-N 1 0 344.415 2.818 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594514461 478421373 /nfs/dbraw/zinc/42/13/73/478421373.db2.gz YFKWYUXQHXDJGZ-WFASDCNBSA-N 1 0 345.403 2.675 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597603272 478427359 /nfs/dbraw/zinc/42/73/59/478427359.db2.gz AZOQEHORLNWYNO-HNNXBMFYSA-N 1 0 347.415 2.500 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000539840822 478445563 /nfs/dbraw/zinc/44/55/63/478445563.db2.gz MFINNRIQHUMTOK-HNNXBMFYSA-N 1 0 333.432 2.980 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062110 478446401 /nfs/dbraw/zinc/44/64/01/478446401.db2.gz VZORGTSFCXCIJY-CYBMUJFWSA-N 1 0 333.388 2.664 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591062985 478446716 /nfs/dbraw/zinc/44/67/16/478446716.db2.gz DSZANTDWTBOAMK-YOEHRIQHSA-N 1 0 329.400 2.822 20 5 EFBDRO CNc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000563103388 478449374 /nfs/dbraw/zinc/44/93/74/478449374.db2.gz RWKHZNUAUSOJIZ-UHFFFAOYSA-N 1 0 334.420 2.679 20 5 EFBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC000495977801 478451942 /nfs/dbraw/zinc/45/19/42/478451942.db2.gz ADWWRKDDZQKGGR-UHFFFAOYSA-N 1 0 348.403 2.838 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000594593813 478454352 /nfs/dbraw/zinc/45/43/52/478454352.db2.gz DIQMXTNIFBGMFE-UHFFFAOYSA-N 1 0 345.403 2.554 20 5 EFBDRO O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000563129100 478457423 /nfs/dbraw/zinc/45/74/23/478457423.db2.gz WIITWFQUNANLNV-UHFFFAOYSA-N 1 0 345.374 2.930 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603781 478462167 /nfs/dbraw/zinc/46/21/67/478462167.db2.gz VTRMBSLUVKXXTK-UONOGXRCSA-N 1 0 348.403 2.514 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000540161640 478465879 /nfs/dbraw/zinc/46/58/79/478465879.db2.gz YBLVMJZTHVURQS-JVPBZIDWSA-N 1 0 347.459 2.932 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597699246 478469339 /nfs/dbraw/zinc/46/93/39/478469339.db2.gz IYOTZKLOGNGDLK-LXZKKBNFSA-N 1 0 333.432 2.715 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597701929 478470478 /nfs/dbraw/zinc/47/04/78/478470478.db2.gz XMPVUUFRMXGSKO-FZMZJTMJSA-N 1 0 337.445 2.871 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591146504 478474324 /nfs/dbraw/zinc/47/43/24/478474324.db2.gz FUHMOEBRBPQDBW-AWEZNQCLSA-N 1 0 330.388 2.666 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C2 ZINC000597710383 478474996 /nfs/dbraw/zinc/47/49/96/478474996.db2.gz LNVDKKANXYMPNT-LJQANCHMSA-N 1 0 345.443 2.817 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148850 478475472 /nfs/dbraw/zinc/47/54/72/478475472.db2.gz FLWNRSIAPLIQJU-AWEZNQCLSA-N 1 0 330.363 2.840 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597713068 478476185 /nfs/dbraw/zinc/47/61/85/478476185.db2.gz BMNZULDXFBXZEX-SFHVURJKSA-N 1 0 331.416 2.715 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000597717051 478477826 /nfs/dbraw/zinc/47/78/26/478477826.db2.gz XNIWPMQPVUXRPA-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000591182670 478484832 /nfs/dbraw/zinc/48/48/32/478484832.db2.gz REEISMIKQCNOHC-AFAVFJNCSA-N 1 0 331.416 2.545 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000581999022 478487714 /nfs/dbraw/zinc/48/77/14/478487714.db2.gz LMWZIHRGVVCFBJ-OLZOCXBDSA-N 1 0 344.358 2.750 20 5 EFBDRO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600727020 478490032 /nfs/dbraw/zinc/49/00/32/478490032.db2.gz NVMQZXQCKXOMHH-VXGBXAGGSA-N 1 0 347.337 2.563 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000582013860 478492805 /nfs/dbraw/zinc/49/28/05/478492805.db2.gz ZECATHXHKKOSGO-KGLIPLIRSA-N 1 0 334.420 2.698 20 5 EFBDRO O=C1NCCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243830 478497840 /nfs/dbraw/zinc/49/78/40/478497840.db2.gz AFIIWWPYHKWZEA-WMZOPIPTSA-N 1 0 339.395 2.800 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491290163 478500177 /nfs/dbraw/zinc/50/01/77/478500177.db2.gz AGIXCXDFZJXGBE-HJWRWDBZSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491291973 478501015 /nfs/dbraw/zinc/50/10/15/478501015.db2.gz UVTQDGSARKEZBU-QPBFKRLHSA-N 1 0 349.406 2.984 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600757175 478506518 /nfs/dbraw/zinc/50/65/18/478506518.db2.gz KHCHYBLNLINMHR-HYVNUMGLSA-N 1 0 342.395 2.789 20 5 EFBDRO C[NH2+]Cc1cccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000591277522 478506653 /nfs/dbraw/zinc/50/66/53/478506653.db2.gz NHTKSUCKZYIYLK-UHFFFAOYSA-N 1 0 329.356 2.698 20 5 EFBDRO Cc1cc(N)cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000591280735 478508136 /nfs/dbraw/zinc/50/81/36/478508136.db2.gz BVZHOYFKJALYLZ-UHFFFAOYSA-N 1 0 329.356 2.546 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[C@H](F)C[NH2+]3)cs2)c1 ZINC000591281893 478508696 /nfs/dbraw/zinc/50/86/96/478508696.db2.gz SILNYTPRPWVJJS-RYUDHWBXSA-N 1 0 336.392 2.508 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000594716158 478509719 /nfs/dbraw/zinc/50/97/19/478509719.db2.gz KJMBTHTXGYSDTG-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000582104829 478511397 /nfs/dbraw/zinc/51/13/97/478511397.db2.gz ZJVWNPRWRKEFBZ-QGZVFWFLSA-N 1 0 332.404 2.853 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCC2CCC2)cc1 ZINC000594733514 478520291 /nfs/dbraw/zinc/52/02/91/478520291.db2.gz XAAYZBWGKPDSAA-UHFFFAOYSA-N 1 0 326.418 2.538 20 5 EFBDRO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1CCC[NH2+]C1 ZINC000600786764 478520501 /nfs/dbraw/zinc/52/05/01/478520501.db2.gz SIBNTNFNHVIYGZ-AWEZNQCLSA-N 1 0 326.356 2.595 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348296 478532191 /nfs/dbraw/zinc/53/21/91/478532191.db2.gz OBXBMNIMLOSMGD-INIZCTEOSA-N 1 0 329.404 2.806 20 5 EFBDRO C[NH2+]C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000600823637 478534547 /nfs/dbraw/zinc/53/45/47/478534547.db2.gz HOZGXAOFONAQMH-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591358818 478535572 /nfs/dbraw/zinc/53/55/72/478535572.db2.gz ITHVJKCUCUXIOM-OAHLLOKOSA-N 1 0 334.420 2.657 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000571174066 478537015 /nfs/dbraw/zinc/53/70/15/478537015.db2.gz ORDMJXMUCOKPJM-AWEZNQCLSA-N 1 0 344.337 2.931 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571179188 478538310 /nfs/dbraw/zinc/53/83/10/478538310.db2.gz WWTJRUNTGMSMIT-INIZCTEOSA-N 1 0 331.416 2.820 20 5 EFBDRO C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571179189 478538791 /nfs/dbraw/zinc/53/87/91/478538791.db2.gz WWTJRUNTGMSMIT-MRXNPFEDSA-N 1 0 331.416 2.820 20 5 EFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(F)cc1 ZINC000591372950 478538880 /nfs/dbraw/zinc/53/88/80/478538880.db2.gz CVRVSYUOAYZJEF-KRWDZBQOSA-N 1 0 343.358 2.672 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000597853945 478540124 /nfs/dbraw/zinc/54/01/24/478540124.db2.gz FGMRZONBKPRTMG-CQSZACIVSA-N 1 0 349.431 2.600 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862311 478548084 /nfs/dbraw/zinc/54/80/84/478548084.db2.gz ZVTLWJNZYIXDBG-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597861661 478548426 /nfs/dbraw/zinc/54/84/26/478548426.db2.gz UVTMJVXXQRNGHX-XOKHGSTOSA-N 1 0 345.443 2.935 20 5 EFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000591437775 478550912 /nfs/dbraw/zinc/55/09/12/478550912.db2.gz KTVCSRWRHZJQGA-PWSUYJOCSA-N 1 0 340.221 2.854 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CC(C)C1 ZINC000563410468 478551044 /nfs/dbraw/zinc/55/10/44/478551044.db2.gz XRKPCDZZJMYQSP-GDBMZVCRSA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439685 478552340 /nfs/dbraw/zinc/55/23/40/478552340.db2.gz XTXPNCOCRKBRHK-ONGXEEELSA-N 1 0 326.194 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000591441688 478554015 /nfs/dbraw/zinc/55/40/15/478554015.db2.gz FCHIVUFTMBOREH-STQMWFEESA-N 1 0 329.404 2.687 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491464650 478556120 /nfs/dbraw/zinc/55/61/20/478556120.db2.gz OLXXLYDQVXLOKG-ALCCZGGFSA-N 1 0 335.379 2.690 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000571277149 478558923 /nfs/dbraw/zinc/55/89/23/478558923.db2.gz NCEITOKYZFAABB-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000571294846 478565409 /nfs/dbraw/zinc/56/54/09/478565409.db2.gz HHGADYIOCMLNDI-HNNXBMFYSA-N 1 0 340.383 2.808 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000563463064 478566283 /nfs/dbraw/zinc/56/62/83/478566283.db2.gz RZXCRBGZXDLMPN-UHFFFAOYSA-N 1 0 347.346 2.861 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3ncc([N+](=O)[O-])cn3)C2)s1 ZINC000594873634 478570366 /nfs/dbraw/zinc/57/03/66/478570366.db2.gz DQOSZHPWWRVUIO-CYBMUJFWSA-N 1 0 347.444 2.713 20 5 EFBDRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597920378 478574955 /nfs/dbraw/zinc/57/49/55/478574955.db2.gz ASNIATBAQPTNDI-VXGBXAGGSA-N 1 0 337.395 2.826 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597922512 478575387 /nfs/dbraw/zinc/57/53/87/478575387.db2.gz FEWSKZFOWIWQLC-NSHDSACASA-N 1 0 325.796 2.851 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924962 478579184 /nfs/dbraw/zinc/57/91/84/478579184.db2.gz LGNLDHNSXFYIFM-LBPRGKRZSA-N 1 0 337.445 2.919 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000597926252 478580851 /nfs/dbraw/zinc/58/08/51/478580851.db2.gz WSOASHLMFZHBHJ-OAHLLOKOSA-N 1 0 348.447 2.776 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600970450 478590005 /nfs/dbraw/zinc/59/00/05/478590005.db2.gz KGHOEFNKNCREJW-AWEZNQCLSA-N 1 0 343.358 2.738 20 5 EFBDRO C[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597990887 478609465 /nfs/dbraw/zinc/60/94/65/478609465.db2.gz AHFIBZINGNRSFR-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000591728968 478613313 /nfs/dbraw/zinc/61/33/13/478613313.db2.gz LUIWXBFYUGFEON-NXHRZFHOSA-N 1 0 346.358 2.619 20 5 EFBDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000594974659 478613666 /nfs/dbraw/zinc/61/36/66/478613666.db2.gz DRKQYQCUUQITBK-UHFFFAOYSA-N 1 0 340.445 2.740 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000591728966 478614396 /nfs/dbraw/zinc/61/43/96/478614396.db2.gz LUIWXBFYUGFEON-KBAYOESNSA-N 1 0 346.358 2.619 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601021051 478617893 /nfs/dbraw/zinc/61/78/93/478617893.db2.gz OMFINHLAPHDZMK-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO CCCN1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000594992155 478621141 /nfs/dbraw/zinc/62/11/41/478621141.db2.gz PNZWPKJYFVDFSN-MRXNPFEDSA-N 1 0 343.431 2.569 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000594994362 478622704 /nfs/dbraw/zinc/62/27/04/478622704.db2.gz TXDOFOOGIHHSFP-LLVKDONJSA-N 1 0 339.823 2.985 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)C3CCCCC3)n2)c1 ZINC000541984589 478622839 /nfs/dbraw/zinc/62/28/39/478622839.db2.gz PFDROWZPEDBTII-HNNXBMFYSA-N 1 0 346.387 2.676 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000595004545 478625359 /nfs/dbraw/zinc/62/53/59/478625359.db2.gz UAMZCCKHAHHXGE-DZGCQCFKSA-N 1 0 346.383 2.694 20 5 EFBDRO CC(C)(CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591767778 478625531 /nfs/dbraw/zinc/62/55/31/478625531.db2.gz JHQWPEZYDOBIBH-UHFFFAOYSA-N 1 0 340.445 2.784 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000595003153 478625821 /nfs/dbraw/zinc/62/58/21/478625821.db2.gz FHEUHIIZXPMQOM-ZFWWWQNUSA-N 1 0 338.404 2.840 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000591771021 478625950 /nfs/dbraw/zinc/62/59/50/478625950.db2.gz KSRAJFSVGQOSLZ-JQWIXIFHSA-N 1 0 336.310 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCCCC1=O ZINC000595010805 478628080 /nfs/dbraw/zinc/62/80/80/478628080.db2.gz ILKRRIOSTXZJDD-ZDUSSCGKSA-N 1 0 335.404 2.657 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000595017520 478629523 /nfs/dbraw/zinc/62/95/23/478629523.db2.gz WGXJANGATDKZNA-QWRGUYRKSA-N 1 0 347.337 2.891 20 5 EFBDRO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021754 478630767 /nfs/dbraw/zinc/63/07/67/478630767.db2.gz FQGMCTHSGRDETC-AWEZNQCLSA-N 1 0 328.416 2.891 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000595018405 478631597 /nfs/dbraw/zinc/63/15/97/478631597.db2.gz NNWWCUHZJNDOOA-QWHCGFSZSA-N 1 0 334.372 2.698 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cnccc1-n1cccn1 ZINC000491686265 478632381 /nfs/dbraw/zinc/63/23/81/478632381.db2.gz QDFZVKTZDAHDDT-DAXSKMNVSA-N 1 0 335.323 2.827 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000595040322 478638237 /nfs/dbraw/zinc/63/82/37/478638237.db2.gz UAVOQQYZYJJIIZ-KPWVOAKYSA-N 1 0 326.418 2.555 20 5 EFBDRO COc1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000582600585 478638612 /nfs/dbraw/zinc/63/86/12/478638612.db2.gz FQBMBNMFJBGYJI-OAHLLOKOSA-N 1 0 343.383 2.700 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000595044279 478638864 /nfs/dbraw/zinc/63/88/64/478638864.db2.gz KSHZSBWMOWKGHT-CHWSQXEVSA-N 1 0 338.404 2.838 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000595044157 478639237 /nfs/dbraw/zinc/63/92/37/478639237.db2.gz IXWGBIUHSPKMNQ-QWRGUYRKSA-N 1 0 329.347 2.593 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000601069300 478639265 /nfs/dbraw/zinc/63/92/65/478639265.db2.gz LFUPWFMJYZKVRA-GOSISDBHSA-N 1 0 328.368 2.611 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(CC)nn1 ZINC000595066712 478649770 /nfs/dbraw/zinc/64/97/70/478649770.db2.gz BJIPURXZSMCYOY-LBPRGKRZSA-N 1 0 335.433 2.867 20 5 EFBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595076020 478652623 /nfs/dbraw/zinc/65/26/23/478652623.db2.gz COWLPZTYGHJAMA-ZDUSSCGKSA-N 1 0 340.445 2.993 20 5 EFBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000595095647 478658435 /nfs/dbraw/zinc/65/84/35/478658435.db2.gz SCVLXYAPDJUTEU-YJBOKZPZSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CCC2 ZINC000595098570 478659306 /nfs/dbraw/zinc/65/93/06/478659306.db2.gz BQTXXXNSECLVNC-MJGOQNOKSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000595099916 478659742 /nfs/dbraw/zinc/65/97/42/478659742.db2.gz GPTBLHYMFNPBEE-MAUKXSAKSA-N 1 0 347.459 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595100806 478660753 /nfs/dbraw/zinc/66/07/53/478660753.db2.gz JAOFEKWVYUNTRG-CZUORRHYSA-N 1 0 349.431 2.507 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000591901329 478685735 /nfs/dbraw/zinc/68/57/35/478685735.db2.gz QUJMBBXTKICGNY-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CCOC(=O)Cc1ccc(NCC2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000591900887 478686101 /nfs/dbraw/zinc/68/61/01/478686101.db2.gz NXROFSRMIVXNPQ-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000601150198 478689976 /nfs/dbraw/zinc/68/99/76/478689976.db2.gz XZFMVYSRCQWULH-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000582828001 478693744 /nfs/dbraw/zinc/69/37/44/478693744.db2.gz KHJWXPBFTONTBX-JLJPHGGASA-N 1 0 331.416 2.641 20 5 EFBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595225871 478694330 /nfs/dbraw/zinc/69/43/30/478694330.db2.gz PLSHNEBCLKIUQC-HOTGVXAUSA-N 1 0 331.416 2.898 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595233341 478696990 /nfs/dbraw/zinc/69/69/90/478696990.db2.gz NJILJAMLFHSDPV-CQSZACIVSA-N 1 0 332.404 2.838 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000591914925 478701273 /nfs/dbraw/zinc/70/12/73/478701273.db2.gz LNMKBSOCZIQERL-TZMCWYRMSA-N 1 0 335.404 2.595 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000542913096 478706246 /nfs/dbraw/zinc/70/62/46/478706246.db2.gz DJWLNLUMQUZBGA-INIZCTEOSA-N 1 0 349.431 2.763 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595262751 478706474 /nfs/dbraw/zinc/70/64/74/478706474.db2.gz CMBRFNFMRLBQDD-INIZCTEOSA-N 1 0 346.431 2.516 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571926534 478709386 /nfs/dbraw/zinc/70/93/86/478709386.db2.gz UUGBFDDEGZXYLR-PBHICJAKSA-N 1 0 331.416 2.993 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591925653 478710159 /nfs/dbraw/zinc/71/01/59/478710159.db2.gz KEZMBJZSDAKINS-BBRMVZONSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491861574 478713299 /nfs/dbraw/zinc/71/32/99/478713299.db2.gz VIWJQBYNHDKIMA-NRXPATIISA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1noc(CN2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000595291661 478717808 /nfs/dbraw/zinc/71/78/08/478717808.db2.gz LPEYVHBDAQLBQH-UHFFFAOYSA-N 1 0 344.415 2.908 20 5 EFBDRO Cc1noc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000595299215 478721210 /nfs/dbraw/zinc/72/12/10/478721210.db2.gz XADJBVSVEDXMMT-HNNXBMFYSA-N 1 0 336.436 2.835 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000601207643 478723616 /nfs/dbraw/zinc/72/36/16/478723616.db2.gz QBVMLDMWIJTJEV-ZDUSSCGKSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000601209048 478723664 /nfs/dbraw/zinc/72/36/64/478723664.db2.gz AIJOOIOQDNBPCG-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000601209617 478725643 /nfs/dbraw/zinc/72/56/43/478725643.db2.gz GPHISXAFVIPUSE-UKRRQHHQSA-N 1 0 329.404 2.508 20 5 EFBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000564338450 478727838 /nfs/dbraw/zinc/72/78/38/478727838.db2.gz VNPCIMPJIWTSHF-IBGZPJMESA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598259984 478729439 /nfs/dbraw/zinc/72/94/39/478729439.db2.gz HXPMLVVHIPCWEL-OAHLLOKOSA-N 1 0 349.431 2.519 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601224887 478732772 /nfs/dbraw/zinc/73/27/72/478732772.db2.gz CIZSYTJUOJUHAG-TVQRCGJNSA-N 1 0 326.784 2.805 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601224888 478733556 /nfs/dbraw/zinc/73/35/56/478733556.db2.gz CIZSYTJUOJUHAG-ZANVPECISA-N 1 0 326.784 2.805 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000572028101 478735175 /nfs/dbraw/zinc/73/51/75/478735175.db2.gz NOTVFCFAPVPKOY-UHFFFAOYSA-N 1 0 343.339 2.637 20 5 EFBDRO Cc1noc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595336537 478737282 /nfs/dbraw/zinc/73/72/82/478737282.db2.gz IBSNWOFHPIFHKM-MRXNPFEDSA-N 1 0 344.415 2.988 20 5 EFBDRO Cc1noc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595336536 478737530 /nfs/dbraw/zinc/73/75/30/478737530.db2.gz IBSNWOFHPIFHKM-INIZCTEOSA-N 1 0 344.415 2.988 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491936931 478745955 /nfs/dbraw/zinc/74/59/55/478745955.db2.gz HVDSNPAEDAOWJG-VFADXPBXSA-N 1 0 335.379 2.690 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000601250342 478746786 /nfs/dbraw/zinc/74/67/86/478746786.db2.gz LWUBBMDBZZPYDU-HNNXBMFYSA-N 1 0 329.404 2.632 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000601253096 478748715 /nfs/dbraw/zinc/74/87/15/478748715.db2.gz DSDZSOLHIAYQDF-MNOVXSKESA-N 1 0 338.795 2.664 20 5 EFBDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543505370 478749876 /nfs/dbraw/zinc/74/98/76/478749876.db2.gz QJMCEQVRLOSUKG-ZDUSSCGKSA-N 1 0 345.403 2.686 20 5 EFBDRO Cc1noc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595387174 478757476 /nfs/dbraw/zinc/75/74/76/478757476.db2.gz ANKHIYYBMFTJIK-UHFFFAOYSA-N 1 0 332.404 2.891 20 5 EFBDRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000601272526 478758532 /nfs/dbraw/zinc/75/85/32/478758532.db2.gz GMVFPWHGZXERJJ-ZDUSSCGKSA-N 1 0 327.388 2.884 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000583100388 478765150 /nfs/dbraw/zinc/76/51/50/478765150.db2.gz NSVSVEGTWPRWEA-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294495 478769563 /nfs/dbraw/zinc/76/95/63/478769563.db2.gz OWKVCCFRRRCVMF-JOYOIKCWSA-N 1 0 329.282 2.641 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4CC=CC4)CC3)nc2c1 ZINC000595431141 478776397 /nfs/dbraw/zinc/77/63/97/478776397.db2.gz DDQCZQKBKFNDAB-UHFFFAOYSA-N 1 0 341.415 2.949 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598343164 478776604 /nfs/dbraw/zinc/77/66/04/478776604.db2.gz TWRSLWPDHPZJFA-GFCCVEGCSA-N 1 0 337.395 2.612 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306115 478776672 /nfs/dbraw/zinc/77/66/72/478776672.db2.gz APZKTPAHHFCSHR-XXILOJSOSA-N 1 0 331.294 2.852 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342477 478776940 /nfs/dbraw/zinc/77/69/40/478776940.db2.gz IZRZJEFIDMEYJX-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000595437375 478782360 /nfs/dbraw/zinc/78/23/60/478782360.db2.gz GDOIPIZXFNVJEA-MRXNPFEDSA-N 1 0 344.415 2.988 20 5 EFBDRO Cc1noc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595441070 478784163 /nfs/dbraw/zinc/78/41/63/478784163.db2.gz ULRWTBXJNYRQDS-BBRMVZONSA-N 1 0 344.415 2.891 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(n3)CCC4)C2)nc1 ZINC000583189427 478786463 /nfs/dbraw/zinc/78/64/63/478786463.db2.gz HZSOPSFDJPFSII-OAHLLOKOSA-N 1 0 339.399 2.560 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000601333869 478792028 /nfs/dbraw/zinc/79/20/28/478792028.db2.gz HHHVMHGBBGIOIL-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601353912 478798992 /nfs/dbraw/zinc/79/89/92/478798992.db2.gz IYSHIPOYZDSSRS-WFASDCNBSA-N 1 0 347.390 2.823 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000583258426 478804668 /nfs/dbraw/zinc/80/46/68/478804668.db2.gz UHPPNAVGGQSOLP-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000564792527 478811849 /nfs/dbraw/zinc/81/18/49/478811849.db2.gz JTGNEGZWEVFIJS-CRAIPNDOSA-N 1 0 346.358 2.751 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000564792529 478812443 /nfs/dbraw/zinc/81/24/43/478812443.db2.gz JTGNEGZWEVFIJS-QAPCUYQASA-N 1 0 346.358 2.751 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000595482878 478813108 /nfs/dbraw/zinc/81/31/08/478813108.db2.gz CJIPDOGYDYFOIG-STQMWFEESA-N 1 0 336.310 2.641 20 5 EFBDRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592174335 478814339 /nfs/dbraw/zinc/81/43/39/478814339.db2.gz DGRKPEMARRCZKP-UHFFFAOYSA-N 1 0 343.836 2.920 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1[N+](=O)[O-] ZINC000595488726 478816349 /nfs/dbraw/zinc/81/63/49/478816349.db2.gz IMWFWWZKVNOACL-AWEZNQCLSA-N 1 0 328.372 2.528 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183596 478817581 /nfs/dbraw/zinc/81/75/81/478817581.db2.gz URXNCEMUCUPZKU-UONOGXRCSA-N 1 0 347.415 2.813 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492089837 478818099 /nfs/dbraw/zinc/81/80/99/478818099.db2.gz PXESROLQBMBUMQ-VIGJRRFGSA-N 1 0 335.379 2.736 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000595493437 478818273 /nfs/dbraw/zinc/81/82/73/478818273.db2.gz KIPAFKGAKLLADC-SFHVURJKSA-N 1 0 330.359 2.870 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000595505457 478825835 /nfs/dbraw/zinc/82/58/35/478825835.db2.gz UIRMPDQAFMDFMG-QGZVFWFLSA-N 1 0 330.388 2.654 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492109705 478827486 /nfs/dbraw/zinc/82/74/86/478827486.db2.gz NBXAWVQFHOUPCM-QKOWSDGPSA-N 1 0 335.379 2.592 20 5 EFBDRO Cc1noc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000595525705 478836086 /nfs/dbraw/zinc/83/60/86/478836086.db2.gz GOHOYEIGMMIUTC-UHFFFAOYSA-N 1 0 331.372 2.773 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000595534307 478837227 /nfs/dbraw/zinc/83/72/27/478837227.db2.gz SHWDWWULOQJEMQ-UHFFFAOYSA-N 1 0 347.415 2.611 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253235 478842323 /nfs/dbraw/zinc/84/23/23/478842323.db2.gz BUFGMDKRCXXZFG-HOTGVXAUSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000592256454 478843120 /nfs/dbraw/zinc/84/31/20/478843120.db2.gz ZGHZTARAORBLQB-HUUCEWRRSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000592256426 478843214 /nfs/dbraw/zinc/84/32/14/478843214.db2.gz ZGHZTARAORBLQB-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000592294585 478855863 /nfs/dbraw/zinc/85/58/63/478855863.db2.gz GWLJFIACTWTPRJ-NSHDSACASA-N 1 0 335.429 2.803 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)(C)C ZINC000504911222 478856893 /nfs/dbraw/zinc/85/68/93/478856893.db2.gz CFZICLCERODIHR-GFCCVEGCSA-N 1 0 339.461 2.970 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000583480205 478859063 /nfs/dbraw/zinc/85/90/63/478859063.db2.gz VJRSFMAMEWKWSO-JTQLQIEISA-N 1 0 341.795 2.789 20 5 EFBDRO CC[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592331356 478860891 /nfs/dbraw/zinc/86/08/91/478860891.db2.gz IWQUCNSMFQOXGZ-LALPHHSUSA-N 1 0 337.445 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)c1 ZINC000564918163 478861226 /nfs/dbraw/zinc/86/12/26/478861226.db2.gz MTDUDORKIODLGR-ZBFHGGJFSA-N 1 0 343.383 2.903 20 5 EFBDRO CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592331359 478861515 /nfs/dbraw/zinc/86/15/15/478861515.db2.gz IWQUCNSMFQOXGZ-ZOWXZIJZSA-N 1 0 337.445 2.661 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592331770 478861758 /nfs/dbraw/zinc/86/17/58/478861758.db2.gz PIXBBPUXDVUQJV-RISCZKNCSA-N 1 0 337.445 2.906 20 5 EFBDRO Cc1c(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000572541112 478863767 /nfs/dbraw/zinc/86/37/67/478863767.db2.gz SRASGQKZKBRSMY-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1N1CCCC1 ZINC000592357913 478866567 /nfs/dbraw/zinc/86/65/67/478866567.db2.gz UUTLEQNAQRCYGY-GFCCVEGCSA-N 1 0 329.360 2.670 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356645 478867048 /nfs/dbraw/zinc/86/70/48/478867048.db2.gz CAPGQBJEHWNHKD-VIFPVBQESA-N 1 0 339.149 2.832 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000564948705 478868634 /nfs/dbraw/zinc/86/86/34/478868634.db2.gz XSVQADUOAYALOO-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO C[C@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000544847142 478869553 /nfs/dbraw/zinc/86/95/53/478869553.db2.gz SVQAHQKKJRRKIM-GOEBONIOSA-N 1 0 341.415 2.519 20 5 EFBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000544845510 478870293 /nfs/dbraw/zinc/87/02/93/478870293.db2.gz BEKZMQCCPVZCOG-UHFFFAOYSA-N 1 0 333.436 2.723 20 5 EFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592374800 478871945 /nfs/dbraw/zinc/87/19/45/478871945.db2.gz JROOQHHERICQMZ-CZUORRHYSA-N 1 0 346.431 2.882 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)C1 ZINC000583542443 478873736 /nfs/dbraw/zinc/87/37/36/478873736.db2.gz WRFXNGGJGAAZDX-LBPRGKRZSA-N 1 0 343.387 2.802 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000595595169 478874694 /nfs/dbraw/zinc/87/46/94/478874694.db2.gz HQIUVPQIOMWCFR-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595595112 478874994 /nfs/dbraw/zinc/87/49/94/478874994.db2.gz HABWISVMRNWMSY-QGZVFWFLSA-N 1 0 330.384 2.639 20 5 EFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592396784 478883794 /nfs/dbraw/zinc/88/37/94/478883794.db2.gz KCMDABYVURJNRF-YDHLFZDLSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592396782 478884103 /nfs/dbraw/zinc/88/41/03/478884103.db2.gz KCMDABYVURJNRF-GZBFAFLISA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560448 478894965 /nfs/dbraw/zinc/89/49/65/478894965.db2.gz MAKFNLUCGKMRIR-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000507231434 478909568 /nfs/dbraw/zinc/90/95/68/478909568.db2.gz MFPFTARJEJWFMU-BXUZGUMPSA-N 1 0 347.337 2.509 20 5 EFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000601621542 478911964 /nfs/dbraw/zinc/91/19/64/478911964.db2.gz NSQHHXHBKMVAJI-UHFFFAOYSA-N 1 0 335.385 2.979 20 5 EFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000592487876 478912268 /nfs/dbraw/zinc/91/22/68/478912268.db2.gz ZZBBEFIKOVNZBE-ZFWWWQNUSA-N 1 0 325.384 2.514 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000507387015 478919383 /nfs/dbraw/zinc/91/93/83/478919383.db2.gz RIRCIZRHGBLJND-CQSZACIVSA-N 1 0 333.432 2.815 20 5 EFBDRO C[N@H+](CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000545309356 478922833 /nfs/dbraw/zinc/92/28/33/478922833.db2.gz ZYDBMMMSUKPEEU-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000592514520 478924430 /nfs/dbraw/zinc/92/44/30/478924430.db2.gz QYZAKDXJRIHHKW-HOCLYGCPSA-N 1 0 341.415 2.713 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595673126 478928938 /nfs/dbraw/zinc/92/89/38/478928938.db2.gz KNEQYQGCQUVPGI-PBHICJAKSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000583747422 478931646 /nfs/dbraw/zinc/93/16/46/478931646.db2.gz RKTZWWNJTVPMLF-GOSISDBHSA-N 1 0 325.368 2.773 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595679791 478932084 /nfs/dbraw/zinc/93/20/84/478932084.db2.gz YGRFYAHFXQWADZ-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683362 478934587 /nfs/dbraw/zinc/93/45/87/478934587.db2.gz HXSQDKXWIJXZQH-MRXNPFEDSA-N 1 0 346.383 2.960 20 5 EFBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000595684913 478935319 /nfs/dbraw/zinc/93/53/19/478935319.db2.gz SEERCIPGLOMRFL-GOSISDBHSA-N 1 0 346.383 2.960 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CCO ZINC000595695899 478940311 /nfs/dbraw/zinc/94/03/11/478940311.db2.gz IYKGEYXYXBUJNW-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554710 478941405 /nfs/dbraw/zinc/94/14/05/478941405.db2.gz MGIGSMOSUYMPIF-STQMWFEESA-N 1 0 335.379 2.586 20 5 EFBDRO C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649076 478943637 /nfs/dbraw/zinc/94/36/37/478943637.db2.gz VHBCOAWRWWRQNQ-CMPLNLGQSA-N 1 0 343.221 2.808 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592568181 478944527 /nfs/dbraw/zinc/94/45/27/478944527.db2.gz AQXODKAGNGQYJJ-UWVGGRQHSA-N 1 0 334.401 2.574 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601675208 478944475 /nfs/dbraw/zinc/94/44/75/478944475.db2.gz LIUJMAWEXIQJPQ-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595702033 478946944 /nfs/dbraw/zinc/94/69/44/478946944.db2.gz JEXAYTZPAUESQV-AWEZNQCLSA-N 1 0 334.420 2.609 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000595750951 478974611 /nfs/dbraw/zinc/97/46/11/478974611.db2.gz DOCRCLIPTFUXIZ-HNNXBMFYSA-N 1 0 334.351 2.776 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000598721439 478991390 /nfs/dbraw/zinc/99/13/90/478991390.db2.gz VODPNCIYBNZUJL-IAQYHMDHSA-N 1 0 327.331 2.509 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000565420356 479003181 /nfs/dbraw/zinc/00/31/81/479003181.db2.gz FMUQSJSULUSXOK-KRWDZBQOSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595827186 479020296 /nfs/dbraw/zinc/02/02/96/479020296.db2.gz BIFMIAWEWZCLIC-UHFFFAOYSA-N 1 0 342.399 2.651 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000565531164 479028151 /nfs/dbraw/zinc/02/81/51/479028151.db2.gz FNZDVBHFASEXGY-UGSOOPFHSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000601848823 479037462 /nfs/dbraw/zinc/03/74/62/479037462.db2.gz CPAYRVRVYRFTFZ-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595867709 479041023 /nfs/dbraw/zinc/04/10/23/479041023.db2.gz OOIWCXMOPYIMLM-CQSZACIVSA-N 1 0 338.310 2.575 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000546649713 479047850 /nfs/dbraw/zinc/04/78/50/479047850.db2.gz CALGTBDKVMZHCJ-GXTWGEPZSA-N 1 0 335.404 2.859 20 5 EFBDRO CSC1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000493559623 479056263 /nfs/dbraw/zinc/05/62/63/479056263.db2.gz WMAYHRGFCFIILO-VOTSOKGWSA-N 1 0 349.456 2.552 20 5 EFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595898450 479059937 /nfs/dbraw/zinc/05/99/37/479059937.db2.gz OPLWUXPTDDQXFB-UTBFZLOTSA-N 1 0 340.326 2.550 20 5 EFBDRO CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592832777 479064280 /nfs/dbraw/zinc/06/42/80/479064280.db2.gz VZAUBXRYOFDOIM-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830323 479065249 /nfs/dbraw/zinc/06/52/49/479065249.db2.gz CVQQNBSCWWCMHC-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592833220 479066247 /nfs/dbraw/zinc/06/62/47/479066247.db2.gz WTEDXGWNCJUQTP-KRWDZBQOSA-N 1 0 348.447 2.730 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595942363 479079943 /nfs/dbraw/zinc/07/99/43/479079943.db2.gz WHRXIOPEYAOTDN-HZMBPMFUSA-N 1 0 345.321 2.622 20 5 EFBDRO O=C(CC[NH2+]CCCc1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000584286678 479080267 /nfs/dbraw/zinc/08/02/67/479080267.db2.gz COHPBRYLLDHIJW-UHFFFAOYSA-N 1 0 343.383 2.851 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493613166 479081804 /nfs/dbraw/zinc/08/18/04/479081804.db2.gz KJYDVZBQTHEQQP-JCVMBZQJSA-N 1 0 329.400 2.693 20 5 EFBDRO Cn1ccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000546936461 479081822 /nfs/dbraw/zinc/08/18/22/479081822.db2.gz ZYEFUWZUCDDJNS-PBHICJAKSA-N 1 0 328.416 2.872 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000598914127 479083066 /nfs/dbraw/zinc/08/30/66/479083066.db2.gz ZGPCKQNOLVKCLS-NSHDSACASA-N 1 0 336.367 2.730 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598914433 479083144 /nfs/dbraw/zinc/08/31/44/479083144.db2.gz DLOPPXPDRYOQFX-UHFFFAOYSA-N 1 0 326.784 2.712 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598914453 479083404 /nfs/dbraw/zinc/08/34/04/479083404.db2.gz FDEXZISHCGZPCB-UHFFFAOYSA-N 1 0 326.784 2.841 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916257 479084867 /nfs/dbraw/zinc/08/48/67/479084867.db2.gz UYNSVPMJABVXQR-TVQRCGJNSA-N 1 0 326.784 2.982 20 5 EFBDRO C[C@@]1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992410 479088931 /nfs/dbraw/zinc/08/89/31/479088931.db2.gz QIUINHJCSVSVOS-GOSISDBHSA-N 1 0 340.383 2.820 20 5 EFBDRO O=[N+]([O-])c1ccc(SC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000601957284 479093361 /nfs/dbraw/zinc/09/33/61/479093361.db2.gz IIYVCAVEUBAYIF-QGZVFWFLSA-N 1 0 345.424 2.719 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000601965558 479099822 /nfs/dbraw/zinc/09/98/22/479099822.db2.gz VUJFWIPCAHRXRK-YOGCLGLASA-N 1 0 344.371 2.994 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000601977661 479106475 /nfs/dbraw/zinc/10/64/75/479106475.db2.gz VVCUGLXDDJSABE-BETUJISGSA-N 1 0 344.367 2.942 20 5 EFBDRO CCc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596054193 479109997 /nfs/dbraw/zinc/10/99/97/479109997.db2.gz KRPUTGHOFBZLIF-OAHLLOKOSA-N 1 0 330.388 2.973 20 5 EFBDRO Cc1cc(N(C)[C@H](C[NH3+])C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601983231 479110978 /nfs/dbraw/zinc/11/09/78/479110978.db2.gz LZNYOHOLEWMFKN-OAHLLOKOSA-N 1 0 327.388 2.534 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000573664532 479115196 /nfs/dbraw/zinc/11/51/96/479115196.db2.gz FCDABZKMQZGEFX-GJZGRUSLSA-N 1 0 333.432 2.841 20 5 EFBDRO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+]1CCCC1 ZINC000547746016 479120357 /nfs/dbraw/zinc/12/03/57/479120357.db2.gz XDWVMNLEYUJCNK-CQSZACIVSA-N 1 0 349.434 2.895 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593003603 479120666 /nfs/dbraw/zinc/12/06/66/479120666.db2.gz TVLAFTYGUDMNIQ-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO CC[NH+]1CCN(CCNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000596073127 479121601 /nfs/dbraw/zinc/12/16/01/479121601.db2.gz GJMNMUPOKIXNTA-UHFFFAOYSA-N 1 0 326.828 2.606 20 5 EFBDRO CC[NH+]1CCN(CCNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000596073513 479122272 /nfs/dbraw/zinc/12/22/72/479122272.db2.gz LXCBLEFIFQVLDZ-UHFFFAOYSA-N 1 0 343.431 2.501 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596077168 479125103 /nfs/dbraw/zinc/12/51/03/479125103.db2.gz LRYHUAJOGSHJGO-KBPBESRZSA-N 1 0 348.447 2.864 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000596081386 479126042 /nfs/dbraw/zinc/12/60/42/479126042.db2.gz HPAXNWVHLGNUQR-UHFFFAOYSA-N 1 0 347.806 2.537 20 5 EFBDRO COC(=O)CC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000599028110 479132839 /nfs/dbraw/zinc/13/28/39/479132839.db2.gz UKOQYBRSBWLBPQ-UHFFFAOYSA-N 1 0 336.388 2.815 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000599043818 479136241 /nfs/dbraw/zinc/13/62/41/479136241.db2.gz MKLNOVHUCULDKD-CYBMUJFWSA-N 1 0 348.447 2.875 20 5 EFBDRO C[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000596104458 479140796 /nfs/dbraw/zinc/14/07/96/479140796.db2.gz LDCALMUCNRROMT-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104259 479141184 /nfs/dbraw/zinc/14/11/84/479141184.db2.gz IUOZATKHQHLSCR-LLVKDONJSA-N 1 0 328.363 2.580 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066076 479146147 /nfs/dbraw/zinc/14/61/47/479146147.db2.gz ONMLWCILKBSXNV-DGCLKSJQSA-N 1 0 343.374 2.984 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599070139 479147470 /nfs/dbraw/zinc/14/74/70/479147470.db2.gz LJKXGPQNPVAFQX-GJZGRUSLSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068713 479147724 /nfs/dbraw/zinc/14/77/24/479147724.db2.gz ONWVBFILEPZBFV-UKRRQHHQSA-N 1 0 337.420 2.699 20 5 EFBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068710 479147929 /nfs/dbraw/zinc/14/79/29/479147929.db2.gz ONWVBFILEPZBFV-DZGCQCFKSA-N 1 0 337.420 2.699 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596126014 479152802 /nfs/dbraw/zinc/15/28/02/479152802.db2.gz HEOPCSTVXQSZDH-SNVBAGLBSA-N 1 0 328.210 2.745 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573833920 479154664 /nfs/dbraw/zinc/15/46/64/479154664.db2.gz CQKWYMJQPPNRBX-JOYOIKCWSA-N 1 0 345.321 2.861 20 5 EFBDRO C[N@@H+]1C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000599084219 479155174 /nfs/dbraw/zinc/15/51/74/479155174.db2.gz PZMVHKFJWBCYKX-SJORKVTESA-N 1 0 339.395 2.556 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000573844804 479157569 /nfs/dbraw/zinc/15/75/69/479157569.db2.gz LQJZGWGRVFHAAG-DZGCQCFKSA-N 1 0 333.432 2.905 20 5 EFBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC000593088589 479166529 /nfs/dbraw/zinc/16/65/29/479166529.db2.gz IBLZEVNMVQXINS-HXUWFJFHSA-N 1 0 339.439 2.996 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000584532136 479168051 /nfs/dbraw/zinc/16/80/51/479168051.db2.gz ZVCCZWFEGRZFEP-ZDUSSCGKSA-N 1 0 349.431 2.796 20 5 EFBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584566401 479176422 /nfs/dbraw/zinc/17/64/22/479176422.db2.gz ZXZCOKHWUDMBKK-ZDUSSCGKSA-N 1 0 331.376 2.517 20 5 EFBDRO CC(C)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000599143037 479178640 /nfs/dbraw/zinc/17/86/40/479178640.db2.gz NXFIWCWACKNXFW-MRXNPFEDSA-N 1 0 343.431 2.675 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCSc2ccccc2)c1 ZINC000556750339 479194272 /nfs/dbraw/zinc/19/42/72/479194272.db2.gz IHPPOMIIMIIKPO-HNNXBMFYSA-N 1 0 348.424 2.716 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000584664290 479199577 /nfs/dbraw/zinc/19/95/77/479199577.db2.gz BLVQBFNHOBWQBW-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000584663439 479200510 /nfs/dbraw/zinc/20/05/10/479200510.db2.gz BXMMIPGQUZQUAU-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242144 479219035 /nfs/dbraw/zinc/21/90/35/479219035.db2.gz NHEPYOJCTULKJU-AWEZNQCLSA-N 1 0 340.221 2.889 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596251072 479224098 /nfs/dbraw/zinc/22/40/98/479224098.db2.gz LHKFOSBKYGZCNX-UHFFFAOYSA-N 1 0 343.431 2.878 20 5 EFBDRO Cc1nn(C)c(N2CCC3(CCC([NH+](C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000596254387 479226056 /nfs/dbraw/zinc/22/60/56/479226056.db2.gz CIXLUTTVRVXYKI-UHFFFAOYSA-N 1 0 335.452 2.728 20 5 EFBDRO C[NH+](C)C1CCC2(CC1)CCN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596255759 479227410 /nfs/dbraw/zinc/22/74/10/479227410.db2.gz TUEYENQNTLWFIK-UHFFFAOYSA-N 1 0 334.420 2.786 20 5 EFBDRO C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574150877 479227438 /nfs/dbraw/zinc/22/74/38/479227438.db2.gz HLDMTSLPBHQLLE-ZIAGYGMSSA-N 1 0 334.372 2.538 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000593187641 479228646 /nfs/dbraw/zinc/22/86/46/479228646.db2.gz NGVFABHYZGZEOG-XQQFMLRXSA-N 1 0 337.445 2.626 20 5 EFBDRO CSc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188121 479230927 /nfs/dbraw/zinc/23/09/27/479230927.db2.gz VTRSTJSOBGFGBC-IJLUTSLNSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593188232 479231104 /nfs/dbraw/zinc/23/11/04/479231104.db2.gz ZDAVJITUFIDNCR-UPJWGTAASA-N 1 0 346.431 2.722 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000596280317 479236687 /nfs/dbraw/zinc/23/66/87/479236687.db2.gz CBXJJXZKOUYSSJ-LLVKDONJSA-N 1 0 336.417 2.629 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610965067 479245257 /nfs/dbraw/zinc/24/52/57/479245257.db2.gz SKJXTDODTGXYSG-KBPBESRZSA-N 1 0 331.416 2.959 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000557118332 479257014 /nfs/dbraw/zinc/25/70/14/479257014.db2.gz YHCJSZLGQNHUJH-GRDNDAEWSA-N 1 0 331.416 2.784 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335729 479258964 /nfs/dbraw/zinc/25/89/64/479258964.db2.gz HREDFWHTDXYAIA-CYBMUJFWSA-N 1 0 335.404 2.595 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596373532 479270993 /nfs/dbraw/zinc/27/09/93/479270993.db2.gz PNKBMNBUIKPGKH-OZZYPVQVSA-N 1 0 347.440 2.975 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000585099411 479283529 /nfs/dbraw/zinc/28/35/29/479283529.db2.gz FFJHRVWFYFQWIO-ZETCQYMHSA-N 1 0 326.154 2.659 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)CC3CC3)cs2)c1 ZINC000611108221 479284036 /nfs/dbraw/zinc/28/40/36/479284036.db2.gz IGVARMQKCNNFDI-ZDUSSCGKSA-N 1 0 333.413 2.969 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](CC2CC2)CC1 ZINC000557501206 479284125 /nfs/dbraw/zinc/28/41/25/479284125.db2.gz BJLKDHNHHDXTIH-UHFFFAOYSA-N 1 0 347.415 2.976 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000557541834 479288053 /nfs/dbraw/zinc/28/80/53/479288053.db2.gz WHYBIAITRPOUSE-UHFFFAOYSA-N 1 0 345.403 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CCOC4)CC3)n2)cc1 ZINC000611177800 479301851 /nfs/dbraw/zinc/30/18/51/479301851.db2.gz LVXUJXXZRLLJEL-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000596461810 479305540 /nfs/dbraw/zinc/30/55/40/479305540.db2.gz MILYSVAALNMXJI-OAHLLOKOSA-N 1 0 344.390 2.882 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596477383 479310803 /nfs/dbraw/zinc/31/08/03/479310803.db2.gz YSRZFEJMLWRLLZ-GFCCVEGCSA-N 1 0 338.383 2.976 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000596478053 479311144 /nfs/dbraw/zinc/31/11/44/479311144.db2.gz DUEGHDDPNJUTGW-GFCCVEGCSA-N 1 0 348.403 2.595 20 5 EFBDRO C[NH2+][C@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230524 479311812 /nfs/dbraw/zinc/31/18/12/479311812.db2.gz AXHUZLNMRIJBLQ-MRVPVSSYSA-N 1 0 329.282 2.534 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596483223 479313644 /nfs/dbraw/zinc/31/36/44/479313644.db2.gz XQSREGHVUBGWFQ-SNVBAGLBSA-N 1 0 326.784 2.854 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611218321 479314231 /nfs/dbraw/zinc/31/42/31/479314231.db2.gz GIFKSCYCMHYHKI-KBPBESRZSA-N 1 0 331.416 2.959 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611218323 479314364 /nfs/dbraw/zinc/31/43/64/479314364.db2.gz GIFKSCYCMHYHKI-ZIAGYGMSSA-N 1 0 331.416 2.959 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603244262 479318235 /nfs/dbraw/zinc/31/82/35/479318235.db2.gz QWZJIPWDRJHXPH-UHFFFAOYSA-N 1 0 345.403 2.666 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593389476 479322096 /nfs/dbraw/zinc/32/20/96/479322096.db2.gz YDFCKTIOJZVEPP-ZDUSSCGKSA-N 1 0 337.395 2.657 20 5 EFBDRO CCC[NH+]1CCC(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262653 479328785 /nfs/dbraw/zinc/32/87/85/479328785.db2.gz LTKZINPBGIKKRN-UHFFFAOYSA-N 1 0 349.431 2.672 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000611271189 479332209 /nfs/dbraw/zinc/33/22/09/479332209.db2.gz UFRUEKZLMXECQI-LLVKDONJSA-N 1 0 329.347 2.722 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000593417998 479332206 /nfs/dbraw/zinc/33/22/06/479332206.db2.gz QZKCYBZWRKWKRD-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3[nH]nc4ccccc43)C2)nc1 ZINC000611272501 479332659 /nfs/dbraw/zinc/33/26/59/479332659.db2.gz HOOZKSHSUNRING-LBPRGKRZSA-N 1 0 338.371 2.553 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCc3ccccc3CC1)OCCO2 ZINC000611271720 479332798 /nfs/dbraw/zinc/33/27/98/479332798.db2.gz FAJWVJFABUFEBA-UHFFFAOYSA-N 1 0 340.379 2.967 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419316 479332919 /nfs/dbraw/zinc/33/29/19/479332919.db2.gz FKLZBYLQFUZMGS-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274322 479334563 /nfs/dbraw/zinc/33/45/63/479334563.db2.gz KDXGYKBUXFRJPL-CQSZACIVSA-N 1 0 349.431 2.530 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000596554219 479337139 /nfs/dbraw/zinc/33/71/39/479337139.db2.gz WSMNZCYQUZHXSZ-ZDUSSCGKSA-N 1 0 343.412 2.990 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599572951 479337498 /nfs/dbraw/zinc/33/74/98/479337498.db2.gz JYZKPARZOYANCI-UHFFFAOYSA-N 1 0 329.194 2.826 20 5 EFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611286823 479338506 /nfs/dbraw/zinc/33/85/06/479338506.db2.gz QPKQAAULVGWYAX-GBQCJDKSSA-N 1 0 345.443 2.792 20 5 EFBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599585662 479341568 /nfs/dbraw/zinc/34/15/68/479341568.db2.gz GEFUXDJQHDLTDT-CABZTGNLSA-N 1 0 346.309 2.586 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574757395 479342478 /nfs/dbraw/zinc/34/24/78/479342478.db2.gz GNPLWLWJDZEZIR-PBHICJAKSA-N 1 0 342.399 2.606 20 5 EFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000611303425 479343433 /nfs/dbraw/zinc/34/34/33/479343433.db2.gz LQJIHDRJQCJXQI-GDBMZVCRSA-N 1 0 334.416 2.847 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000593448655 479344847 /nfs/dbraw/zinc/34/48/47/479344847.db2.gz UWBDVBKMSJAFMQ-INIZCTEOSA-N 1 0 349.406 2.753 20 5 EFBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611314637 479346748 /nfs/dbraw/zinc/34/67/48/479346748.db2.gz WRNNQMVGFVLYHD-UKRRQHHQSA-N 1 0 336.388 2.659 20 5 EFBDRO Cc1cccc(CCC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000586780864 479351177 /nfs/dbraw/zinc/35/11/77/479351177.db2.gz RXPRJTYIXFOAIG-UHFFFAOYSA-N 1 0 343.383 2.792 20 5 EFBDRO O=[N+]([O-])c1sc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1Br ZINC000602474466 479353784 /nfs/dbraw/zinc/35/37/84/479353784.db2.gz PEZVYLVVHCKQPS-GZMMTYOYSA-N 1 0 346.250 2.603 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599617677 479354444 /nfs/dbraw/zinc/35/44/44/479354444.db2.gz KCGNHWLDPWSICV-UHFFFAOYSA-N 1 0 340.383 2.699 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000611374345 479361481 /nfs/dbraw/zinc/36/14/81/479361481.db2.gz ORCUYMOZGKLONE-STQMWFEESA-N 1 0 334.420 2.685 20 5 EFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000611409667 479370186 /nfs/dbraw/zinc/37/01/86/479370186.db2.gz JNBWOZWAVPVUHQ-GOSISDBHSA-N 1 0 339.395 2.528 20 5 EFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000611409672 479370413 /nfs/dbraw/zinc/37/04/13/479370413.db2.gz JNBWOZWAVPVUHQ-SFHVURJKSA-N 1 0 339.395 2.528 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000611413618 479371847 /nfs/dbraw/zinc/37/18/47/479371847.db2.gz IILGMQMRIXFYOS-JSGCOSHPSA-N 1 0 325.434 2.836 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000574911880 479371840 /nfs/dbraw/zinc/37/18/40/479371840.db2.gz HMZXOHOAUGBIPH-WDYCEAGBSA-N 1 0 342.395 2.728 20 5 EFBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602507868 479373773 /nfs/dbraw/zinc/37/37/73/479373773.db2.gz IMJNJRRZDNPTDG-UHFFFAOYSA-N 1 0 333.310 2.618 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3Cc4ccccc4C3)nc2c1 ZINC000602509706 479374589 /nfs/dbraw/zinc/37/45/89/479374589.db2.gz IILDDWJFPWBENU-UHFFFAOYSA-N 1 0 338.367 2.841 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000603406549 479374655 /nfs/dbraw/zinc/37/46/55/479374655.db2.gz KCKDEVRWTXZRMP-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO CC(C)C[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602509393 479374899 /nfs/dbraw/zinc/37/48/99/479374899.db2.gz GTQLYJDFCVXCLC-UHFFFAOYSA-N 1 0 332.404 2.946 20 5 EFBDRO COc1cccc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603407550 479374996 /nfs/dbraw/zinc/37/49/96/479374996.db2.gz VHVLDDXNKUPMAZ-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO COCC(=O)Nc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602509572 479375363 /nfs/dbraw/zinc/37/53/63/479375363.db2.gz DCBTWVNMTMUMDZ-UHFFFAOYSA-N 1 0 343.383 2.512 20 5 EFBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000602513182 479376085 /nfs/dbraw/zinc/37/60/85/479376085.db2.gz AGSBLIIREBCEIC-STQMWFEESA-N 1 0 332.404 2.946 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574951119 479377438 /nfs/dbraw/zinc/37/74/38/479377438.db2.gz YVXCVSZNKMJVRA-LSDHHAIUSA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000602517622 479377475 /nfs/dbraw/zinc/37/74/75/479377475.db2.gz HVUHYBHXQMBHMA-ZDUSSCGKSA-N 1 0 332.404 2.948 20 5 EFBDRO CN1CC[N@H+](C)C[C@H]1CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587975169 479378090 /nfs/dbraw/zinc/37/80/90/479378090.db2.gz JKGXISZMIONYOT-SNVBAGLBSA-N 1 0 333.219 2.559 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431689 479378321 /nfs/dbraw/zinc/37/83/21/479378321.db2.gz CLFYFDNMYITYKG-PXAZEXFGSA-N 1 0 347.371 2.948 20 5 EFBDRO CC[N@@H+]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602520188 479378612 /nfs/dbraw/zinc/37/86/12/479378612.db2.gz KKOVXLRXTUKUCG-SECBINFHSA-N 1 0 348.266 2.850 20 5 EFBDRO COc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000602524181 479379902 /nfs/dbraw/zinc/37/99/02/479379902.db2.gz KQBOBVHMYTXVOK-UHFFFAOYSA-N 1 0 330.384 2.987 20 5 EFBDRO CC(C)CCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602523409 479379909 /nfs/dbraw/zinc/37/99/09/479379909.db2.gz BZBHSUVNJQYWIU-UHFFFAOYSA-N 1 0 336.436 2.611 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+](C4CCC4)CC3)nc2c1 ZINC000602523509 479380696 /nfs/dbraw/zinc/38/06/96/479380696.db2.gz YYOJPBJRLJTYQV-UHFFFAOYSA-N 1 0 330.388 2.843 20 5 EFBDRO C[N@H+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602524738 479381220 /nfs/dbraw/zinc/38/12/20/479381220.db2.gz DNHASYGHLXNFEE-UHFFFAOYSA-N 1 0 340.383 2.958 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574971490 479381225 /nfs/dbraw/zinc/38/12/25/479381225.db2.gz XMNOGOAMMGPYRA-HUUCEWRRSA-N 1 0 333.432 2.935 20 5 EFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602526523 479381743 /nfs/dbraw/zinc/38/17/43/479381743.db2.gz ORKRKXVSEJYCJE-QMMMGPOBSA-N 1 0 337.239 2.915 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527745 479382922 /nfs/dbraw/zinc/38/29/22/479382922.db2.gz KRLZSMAASKFMSC-SWLSCSKDSA-N 1 0 337.445 2.532 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599672281 479383544 /nfs/dbraw/zinc/38/35/44/479383544.db2.gz COIYMONOSQIMDO-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+]C2(CO)CCCCC2)cccc1[N+](=O)[O-] ZINC000611463144 479385954 /nfs/dbraw/zinc/38/59/54/479385954.db2.gz ZPALWFUJCOFULA-UHFFFAOYSA-N 1 0 335.404 2.517 20 5 EFBDRO C[C@H](CC[NH+](C)C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535849 479387172 /nfs/dbraw/zinc/38/71/72/479387172.db2.gz ZGLKYRNCHBGSRU-MRVPVSSYSA-N 1 0 336.255 2.849 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541220 479388371 /nfs/dbraw/zinc/38/83/71/479388371.db2.gz OHLRBDFCZMOUOD-ZYHUDNBSSA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000602545797 479391475 /nfs/dbraw/zinc/39/14/75/479391475.db2.gz WEHDMFWELFICLM-MRVPVSSYSA-N 1 0 348.266 2.991 20 5 EFBDRO O=C(CC1CCCCC1)NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602546090 479391726 /nfs/dbraw/zinc/39/17/26/479391726.db2.gz OSDMGPDPQXFMQN-UHFFFAOYSA-N 1 0 333.432 2.814 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602558991 479397211 /nfs/dbraw/zinc/39/72/11/479397211.db2.gz RQZDBAZRVGUVSI-SFYZADRCSA-N 1 0 335.223 2.933 20 5 EFBDRO Cc1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602563287 479399354 /nfs/dbraw/zinc/39/93/54/479399354.db2.gz BBCSMMUPYYZDEA-UHFFFAOYSA-N 1 0 347.444 2.822 20 5 EFBDRO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000588159987 479399858 /nfs/dbraw/zinc/39/98/58/479399858.db2.gz TUGRCAGURYTRFM-CQSZACIVSA-N 1 0 348.447 2.509 20 5 EFBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000602563523 479400076 /nfs/dbraw/zinc/40/00/76/479400076.db2.gz XWGCXIUMZSEKJE-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000602570009 479402118 /nfs/dbraw/zinc/40/21/18/479402118.db2.gz RCHCNDCYAKSNMF-OAHLLOKOSA-N 1 0 346.431 2.650 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602568973 479402517 /nfs/dbraw/zinc/40/25/17/479402517.db2.gz PZEVPYTVCFHEAH-MRXNPFEDSA-N 1 0 331.416 2.518 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602583209 479409884 /nfs/dbraw/zinc/40/98/84/479409884.db2.gz UVYRKSRTYNTFCM-CSMYWGQOSA-N 1 0 348.447 2.608 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602586044 479410927 /nfs/dbraw/zinc/41/09/27/479410927.db2.gz NUQCOZVSWVZEPS-UHFFFAOYSA-N 1 0 343.383 2.764 20 5 EFBDRO Cn1c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc2c1cccc2F ZINC000602592409 479413860 /nfs/dbraw/zinc/41/38/60/479413860.db2.gz FCUVUMJNJUQXNA-UHFFFAOYSA-N 1 0 342.374 2.995 20 5 EFBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598137 479417382 /nfs/dbraw/zinc/41/73/82/479417382.db2.gz BWCHCAWIERREKS-FZMZJTMJSA-N 1 0 339.823 2.828 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1OC ZINC000602614785 479424133 /nfs/dbraw/zinc/42/41/33/479424133.db2.gz DCUQGTULEFNMJH-MRVWCRGKSA-N 1 0 348.321 2.896 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593694982 479425165 /nfs/dbraw/zinc/42/51/65/479425165.db2.gz VMHXEHGOJZLJNS-WDYCEAGBSA-N 1 0 348.443 2.827 20 5 EFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617204 479425535 /nfs/dbraw/zinc/42/55/35/479425535.db2.gz BKVNMXGAIRAQNF-KZUAUGPASA-N 1 0 335.223 2.836 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000593694981 479425601 /nfs/dbraw/zinc/42/56/01/479425601.db2.gz VMHXEHGOJZLJNS-VDZJLULYSA-N 1 0 348.443 2.827 20 5 EFBDRO COc1ccc2c(c1)nc(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)n2C ZINC000602619791 479426830 /nfs/dbraw/zinc/42/68/30/479426830.db2.gz RSQWBWRRLGNSKF-UHFFFAOYSA-N 1 0 340.383 2.822 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593698186 479427708 /nfs/dbraw/zinc/42/77/08/479427708.db2.gz ZJIVIEBVLHVKTP-ANIZGFEYSA-N 1 0 330.384 2.739 20 5 EFBDRO COc1cc(CN(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000593703456 479429556 /nfs/dbraw/zinc/42/95/56/479429556.db2.gz VQVUTHWFTYJJBZ-UHFFFAOYSA-N 1 0 337.420 2.530 20 5 EFBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000611617955 479430482 /nfs/dbraw/zinc/43/04/82/479430482.db2.gz IHEDQEWQGYDDDM-AWEZNQCLSA-N 1 0 333.413 2.835 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000611618000 479430993 /nfs/dbraw/zinc/43/09/93/479430993.db2.gz XHDUKOFLMSOPSJ-CQSZACIVSA-N 1 0 333.413 2.835 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593707625 479431020 /nfs/dbraw/zinc/43/10/20/479431020.db2.gz NITLQOIDNYGBPL-CYBMUJFWSA-N 1 0 334.420 2.653 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593718274 479432919 /nfs/dbraw/zinc/43/29/19/479432919.db2.gz DCGKFCFKBHCLIN-CXAGYDPISA-N 1 0 331.416 2.820 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)CCCC2 ZINC000593722274 479433999 /nfs/dbraw/zinc/43/39/99/479433999.db2.gz WOBFRINPBYZWDE-ROUUACIJSA-N 1 0 334.416 2.884 20 5 EFBDRO Cc1nccc([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834295 479434928 /nfs/dbraw/zinc/43/49/28/479434928.db2.gz OQKDFMXTELTNGN-HNNXBMFYSA-N 1 0 342.399 2.952 20 5 EFBDRO COc1ccc(C[N@@H+]2CCCN(c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000603845120 479435928 /nfs/dbraw/zinc/43/59/28/479435928.db2.gz QUKJTBDCMSSZGQ-UHFFFAOYSA-N 1 0 342.399 2.711 20 5 EFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1[N+](=O)[O-] ZINC000614533716 479438023 /nfs/dbraw/zinc/43/80/23/479438023.db2.gz KQCQBAIFISJTGX-KRWDZBQOSA-N 1 0 347.440 2.730 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602636095 479438960 /nfs/dbraw/zinc/43/89/60/479438960.db2.gz FWWCGULVKUHJGK-VIFPVBQESA-N 1 0 337.239 2.915 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000603852123 479439397 /nfs/dbraw/zinc/43/93/97/479439397.db2.gz LVBZNPPAKKEXKN-UHFFFAOYSA-N 1 0 341.415 2.614 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1Br ZINC000602647095 479446344 /nfs/dbraw/zinc/44/63/44/479446344.db2.gz SSMBOTJYXYCGMA-SFYZADRCSA-N 1 0 335.223 2.669 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650749 479450064 /nfs/dbraw/zinc/45/00/64/479450064.db2.gz GXEYFHGLQGOVKS-QFIPXVFZSA-N 1 0 336.335 2.614 20 5 EFBDRO CCC(CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000611701664 479450319 /nfs/dbraw/zinc/45/03/19/479450319.db2.gz LGGUMXYCUFKVRB-INIZCTEOSA-N 1 0 331.420 2.738 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000611701864 479450493 /nfs/dbraw/zinc/45/04/93/479450493.db2.gz RDBDDBBAHTYVDC-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000611707827 479452531 /nfs/dbraw/zinc/45/25/31/479452531.db2.gz MCNKRYCHMHCVCX-CQSZACIVSA-N 1 0 341.415 2.850 20 5 EFBDRO COCC(C)(C)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588928753 479459243 /nfs/dbraw/zinc/45/92/43/479459243.db2.gz BSIVLSSNYLJEGO-UHFFFAOYSA-N 1 0 338.404 2.908 20 5 EFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665693 479460917 /nfs/dbraw/zinc/46/09/17/479460917.db2.gz XRJHEHVKLKGFQN-OORQEUNZSA-N 1 0 329.356 2.591 20 5 EFBDRO Cc1c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000602668365 479461554 /nfs/dbraw/zinc/46/15/54/479461554.db2.gz WOXKTJDKAUWICO-IAGOWNOFSA-N 1 0 334.416 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000602671133 479463549 /nfs/dbraw/zinc/46/35/49/479463549.db2.gz QNBUZWWTPKDDRC-RTBURBONSA-N 1 0 326.396 2.893 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602680202 479470405 /nfs/dbraw/zinc/47/04/05/479470405.db2.gz KAGFZQZBAJUSPM-ZDUSSCGKSA-N 1 0 344.419 2.526 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920181 479470968 /nfs/dbraw/zinc/47/09/68/479470968.db2.gz HQUXWFNYBMPUPN-CJNGLKHVSA-N 1 0 334.420 2.604 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000596882730 479471260 /nfs/dbraw/zinc/47/12/60/479471260.db2.gz VZJWTVCIBHUVIT-MRXNPFEDSA-N 1 0 348.447 2.999 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596882371 479471523 /nfs/dbraw/zinc/47/15/23/479471523.db2.gz QMSIVOJKUWWBQP-HNNXBMFYSA-N 1 0 346.431 2.753 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]21 ZINC000602685908 479475422 /nfs/dbraw/zinc/47/54/22/479475422.db2.gz SXIQGZYHNZPAPG-KCJUWKMLSA-N 1 0 346.250 2.555 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602688696 479476944 /nfs/dbraw/zinc/47/69/44/479476944.db2.gz XVMDZXZHLXXKFU-HZPDHXFCSA-N 1 0 346.431 2.506 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602689373 479477201 /nfs/dbraw/zinc/47/72/01/479477201.db2.gz GFSWOUSIPFJMMJ-ACJLOTCBSA-N 1 0 348.447 2.752 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccs1 ZINC000589104254 479477838 /nfs/dbraw/zinc/47/78/38/479477838.db2.gz YJGQOGKTSDHIHG-JTQLQIEISA-N 1 0 326.809 2.841 20 5 EFBDRO COC1([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602691307 479478558 /nfs/dbraw/zinc/47/85/58/479478558.db2.gz REIOBXYMVHYOPM-CYBMUJFWSA-N 1 0 334.420 2.506 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602691262 479479098 /nfs/dbraw/zinc/47/90/98/479479098.db2.gz PXNITWHJBZXOFC-FZNQNYSPSA-N 1 0 334.420 2.504 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000604198257 479484054 /nfs/dbraw/zinc/48/40/54/479484054.db2.gz DWCNJVJEYYLCAM-SCLBCKFNSA-N 1 0 349.431 2.844 20 5 EFBDRO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985788 479487241 /nfs/dbraw/zinc/48/72/41/479487241.db2.gz IRWHOXSYYQYWAI-UHFFFAOYSA-N 1 0 346.431 2.725 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618562572 479494691 /nfs/dbraw/zinc/49/46/91/479494691.db2.gz KWURJSYNOLFRAU-SFHVURJKSA-N 1 0 343.427 2.963 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CO)CCCCC2)n1 ZINC000618571875 479496892 /nfs/dbraw/zinc/49/68/92/479496892.db2.gz JGVTWUFNJQZBJI-CABCVRRESA-N 1 0 336.436 2.807 20 5 EFBDRO C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915970 479508664 /nfs/dbraw/zinc/50/86/64/479508664.db2.gz MMMCDDQFFSXUST-WMLDXEAASA-N 1 0 348.447 2.763 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593916839 479508778 /nfs/dbraw/zinc/50/87/78/479508778.db2.gz SJBWSZKGZYBVEI-LRDDRELGSA-N 1 0 346.431 2.759 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593934153 479511677 /nfs/dbraw/zinc/51/16/77/479511677.db2.gz ILZQGQVXHNIYGA-BXUZGUMPSA-N 1 0 337.445 2.906 20 5 EFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000589344826 479516173 /nfs/dbraw/zinc/51/61/73/479516173.db2.gz MRZMJYYPCJVRPY-ZDUSSCGKSA-N 1 0 327.384 2.782 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000589344849 479516402 /nfs/dbraw/zinc/51/64/02/479516402.db2.gz QRWTXKGUXRGUEK-CQSZACIVSA-N 1 0 341.411 2.734 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000589372651 479519445 /nfs/dbraw/zinc/51/94/45/479519445.db2.gz YZWJJDPLXAFQSO-UHFFFAOYSA-N 1 0 346.391 2.559 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604476342 479522644 /nfs/dbraw/zinc/52/26/44/479522644.db2.gz UIJWGMZHONKSAT-UHFFFAOYSA-N 1 0 348.447 2.858 20 5 EFBDRO Cn1ccnc1[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593967958 479525051 /nfs/dbraw/zinc/52/50/51/479525051.db2.gz CCVNQTVQQLHVFA-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCSC[C@@H]3CO)o2)cc1 ZINC000602750461 479530019 /nfs/dbraw/zinc/53/00/19/479530019.db2.gz HVBSWSPGMWUNMZ-AWEZNQCLSA-N 1 0 334.397 2.765 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000602757803 479532753 /nfs/dbraw/zinc/53/27/53/479532753.db2.gz AFEGBJVCDQACAR-UHFFFAOYSA-N 1 0 342.399 2.695 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCn1cncn1 ZINC000600133534 479535748 /nfs/dbraw/zinc/53/57/48/479535748.db2.gz URYMXBDSVZPFGC-ZBFHGGJFSA-N 1 0 329.404 2.577 20 5 EFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782158 479549085 /nfs/dbraw/zinc/54/90/85/479549085.db2.gz LPPGJVBGFDLXJG-CYBMUJFWSA-N 1 0 332.404 2.671 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000602784648 479550325 /nfs/dbraw/zinc/55/03/25/479550325.db2.gz IKBHVNMTLLEXIR-UHFFFAOYSA-N 1 0 342.399 2.621 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000594019910 479551955 /nfs/dbraw/zinc/55/19/55/479551955.db2.gz CMWBTDWWSCTXME-AWEZNQCLSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000602785361 479552332 /nfs/dbraw/zinc/55/23/32/479552332.db2.gz TVBHNFKPFPCTEW-QGZVFWFLSA-N 1 0 344.415 2.638 20 5 EFBDRO CCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000594019911 479552900 /nfs/dbraw/zinc/55/29/00/479552900.db2.gz CMWBTDWWSCTXME-CQSZACIVSA-N 1 0 348.447 2.728 20 5 EFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612029865 479555606 /nfs/dbraw/zinc/55/56/06/479555606.db2.gz MSZOEAALHVTAMJ-MRXNPFEDSA-N 1 0 344.411 2.902 20 5 EFBDRO Cc1ncc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962434 479560750 /nfs/dbraw/zinc/56/07/50/479560750.db2.gz DJTHAETVBFBIJQ-GXTWGEPZSA-N 1 0 342.403 2.644 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000602805368 479565904 /nfs/dbraw/zinc/56/59/04/479565904.db2.gz LBHXESJSJXLRNB-NVXWUHKLSA-N 1 0 344.415 2.857 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594056127 479570357 /nfs/dbraw/zinc/57/03/57/479570357.db2.gz RCBQSDSWSGSVFF-HIFRSBDPSA-N 1 0 348.403 2.742 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000615000569 479572214 /nfs/dbraw/zinc/57/22/14/479572214.db2.gz BWWPSLNQSAALBF-OAHLLOKOSA-N 1 0 334.416 2.991 20 5 EFBDRO C[C@H](O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594063626 479574349 /nfs/dbraw/zinc/57/43/49/479574349.db2.gz JYPOAFFVVHPXHZ-VIFPVBQESA-N 1 0 329.194 2.703 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000602823242 479576771 /nfs/dbraw/zinc/57/67/71/479576771.db2.gz AQACITZHQUEISG-OAGGEKHMSA-N 1 0 336.436 2.505 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000602826225 479577435 /nfs/dbraw/zinc/57/74/35/479577435.db2.gz NOENAWZFJBAOKU-UHFFFAOYSA-N 1 0 332.404 2.685 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000602826724 479577882 /nfs/dbraw/zinc/57/78/82/479577882.db2.gz JJRYETBTAPEZTG-GJZGRUSLSA-N 1 0 346.431 2.586 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(Cc2ccccc2)C1 ZINC000612110412 479586912 /nfs/dbraw/zinc/58/69/12/479586912.db2.gz NPOCYURSGMWAOA-KRWDZBQOSA-N 1 0 342.395 2.509 20 5 EFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000612113920 479587737 /nfs/dbraw/zinc/58/77/37/479587737.db2.gz ZOTKLJDLUZZBJV-CABCVRRESA-N 1 0 334.416 2.847 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)n1 ZINC000618822997 479606315 /nfs/dbraw/zinc/60/63/15/479606315.db2.gz RHEPWKVRCQCLQK-AWEZNQCLSA-N 1 0 342.399 2.995 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000615140535 479614129 /nfs/dbraw/zinc/61/41/29/479614129.db2.gz VHDFJKXJKNWPGN-UHFFFAOYSA-N 1 0 335.448 2.607 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCC[C@@H]21 ZINC000590204428 479617956 /nfs/dbraw/zinc/61/79/56/479617956.db2.gz LBRBZAOLDQYNAU-HOTGVXAUSA-N 1 0 343.427 2.994 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1COCCO1 ZINC000597204928 479619548 /nfs/dbraw/zinc/61/95/48/479619548.db2.gz HNKFECUELJEBQX-CQSZACIVSA-N 1 0 332.356 2.702 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1COCCO1 ZINC000597204927 479620191 /nfs/dbraw/zinc/62/01/91/479620191.db2.gz HNKFECUELJEBQX-AWEZNQCLSA-N 1 0 332.356 2.702 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594196048 479626814 /nfs/dbraw/zinc/62/68/14/479626814.db2.gz KMYKXGFMCBRJPV-AFAVFJNCSA-N 1 0 349.406 2.971 20 5 EFBDRO Cc1c(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594198683 479629515 /nfs/dbraw/zinc/62/95/15/479629515.db2.gz UVMJNBQPILKCGB-RDJZCZTQSA-N 1 0 331.416 2.579 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594201734 479630813 /nfs/dbraw/zinc/63/08/13/479630813.db2.gz QOIFEEXYDVHFAX-CABCVRRESA-N 1 0 347.415 2.740 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000590347953 479633277 /nfs/dbraw/zinc/63/32/77/479633277.db2.gz WCTOZBGEJOYNSV-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000602932892 479638542 /nfs/dbraw/zinc/63/85/42/479638542.db2.gz PFQZCYCHSMBXGN-UHFFFAOYSA-N 1 0 346.309 2.829 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597242449 479639221 /nfs/dbraw/zinc/63/92/21/479639221.db2.gz LRGXECNEWOSNIS-JOCQHMNTSA-N 1 0 330.340 2.896 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000590402929 479640237 /nfs/dbraw/zinc/64/02/37/479640237.db2.gz KKBUFRUMGUWORX-ZWNOBZJWSA-N 1 0 333.413 2.974 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000597243302 479641064 /nfs/dbraw/zinc/64/10/64/479641064.db2.gz GLPKRSVNUFEUNP-DTZQCDIJSA-N 1 0 332.400 2.847 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000602955295 479649684 /nfs/dbraw/zinc/64/96/84/479649684.db2.gz IXMBGBUDSPGRQW-JTQLQIEISA-N 1 0 334.401 2.957 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)CC1 ZINC000612451834 479674745 /nfs/dbraw/zinc/67/47/45/479674745.db2.gz RMYIYFUIUTUQLX-AWEZNQCLSA-N 1 0 341.415 2.706 20 5 EFBDRO C[C@@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000612488678 479680820 /nfs/dbraw/zinc/68/08/20/479680820.db2.gz FQVVQOMKJLARCP-SNVBAGLBSA-N 1 0 332.335 2.937 20 5 EFBDRO CC(C)(NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000612652834 479723355 /nfs/dbraw/zinc/72/33/55/479723355.db2.gz WINUYIIEKSPSLR-INIZCTEOSA-N 1 0 331.416 2.821 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000612846865 479780687 /nfs/dbraw/zinc/78/06/87/479780687.db2.gz JXJICXPQUBSYAX-LBPRGKRZSA-N 1 0 330.388 2.679 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1O ZINC000615943154 479788788 /nfs/dbraw/zinc/78/87/88/479788788.db2.gz IEMBCGNULLKZRH-CYBMUJFWSA-N 1 0 348.403 2.572 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000615941695 479789248 /nfs/dbraw/zinc/78/92/48/479789248.db2.gz IWSZLVSJGICODW-CQSZACIVSA-N 1 0 339.823 2.939 20 5 EFBDRO O=C(C[N@H+](CC1CC1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000619516968 479817161 /nfs/dbraw/zinc/81/71/61/479817161.db2.gz MOSASYGQWBVOKJ-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC(F)(F)C1)OCCO2 ZINC000619530064 479819728 /nfs/dbraw/zinc/81/97/28/479819728.db2.gz WTGPTPVERXQQKH-JTQLQIEISA-N 1 0 328.315 2.891 20 5 EFBDRO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000619531656 479820453 /nfs/dbraw/zinc/82/04/53/479820453.db2.gz BZWSFESPVCHUEY-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000616121607 479830765 /nfs/dbraw/zinc/83/07/65/479830765.db2.gz PNNIOQAXTWRTOT-AWEZNQCLSA-N 1 0 332.404 2.817 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000619639156 479845918 /nfs/dbraw/zinc/84/59/18/479845918.db2.gz QPEMIGCTVXMXFT-ZDUSSCGKSA-N 1 0 348.403 2.599 20 5 EFBDRO CCc1cc(N2CC[N@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609450873 480161708 /nfs/dbraw/zinc/16/17/08/480161708.db2.gz ZXBVQHOCSXJKGG-CYBMUJFWSA-N 1 0 341.415 2.755 20 5 EFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1F ZINC000609571891 480177420 /nfs/dbraw/zinc/17/74/20/480177420.db2.gz KTWGYILYCZVZAT-MRXNPFEDSA-N 1 0 343.358 2.672 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609595635 480183450 /nfs/dbraw/zinc/18/34/50/480183450.db2.gz VGPITAYOVWLOFV-HNNXBMFYSA-N 1 0 348.447 2.700 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1CCOC1 ZINC000609631661 480191658 /nfs/dbraw/zinc/19/16/58/480191658.db2.gz KRACAPMDEJHUGV-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CSCCCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614109083 480195926 /nfs/dbraw/zinc/19/59/26/480195926.db2.gz JEVPCNPYQYVTIO-UHFFFAOYSA-N 1 0 326.418 2.989 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609833676 480211103 /nfs/dbraw/zinc/21/11/03/480211103.db2.gz SWXXOOIROGETQV-HNNXBMFYSA-N 1 0 344.415 2.540 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609833865 480211171 /nfs/dbraw/zinc/21/11/71/480211171.db2.gz ZCLTWKWEQOWJEM-CYBMUJFWSA-N 1 0 330.388 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000609852325 480213577 /nfs/dbraw/zinc/21/35/77/480213577.db2.gz FQCSUYMZDWJSPP-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO O=C(CC[N@@H+]1CCOCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000614222803 480232323 /nfs/dbraw/zinc/23/23/23/480232323.db2.gz DSOQNUANJSBLTM-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610125505 480241875 /nfs/dbraw/zinc/24/18/75/480241875.db2.gz AGTBVTZHZOVXRW-JSGCOSHPSA-N 1 0 334.420 2.581 20 5 EFBDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610390866 480294732 /nfs/dbraw/zinc/29/47/32/480294732.db2.gz JDPSFFPMOHNWDX-QGZVFWFLSA-N 1 0 346.431 2.801 20 5 EFBDRO O=C(C[NH+]1C2CCCC1CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610395020 480296191 /nfs/dbraw/zinc/29/61/91/480296191.db2.gz LEYGVANSAKHXRR-UHFFFAOYSA-N 1 0 329.400 2.891 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610447763 480309810 /nfs/dbraw/zinc/30/98/10/480309810.db2.gz SZSQMFAKYHLPHB-AEFFLSMTSA-N 1 0 344.415 2.891 20 5 EFBDRO CC1CCC([N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]2CCCO2)CC1 ZINC000610476437 480315261 /nfs/dbraw/zinc/31/52/61/480315261.db2.gz HCFWXDSDVMAISG-YMAMQOFZSA-N 1 0 336.436 2.888 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000610575758 480340303 /nfs/dbraw/zinc/34/03/03/480340303.db2.gz MGDKXCKIAFHPJU-ZDUSSCGKSA-N 1 0 332.404 2.766 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610595837 480347040 /nfs/dbraw/zinc/34/70/40/480347040.db2.gz MSPQCYJOFUIQGF-CZUORRHYSA-N 1 0 346.431 2.748 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[NH2+]1 ZINC000621156695 480364596 /nfs/dbraw/zinc/36/45/96/480364596.db2.gz GGOSENTURXBMNI-LJQANCHMSA-N 1 0 349.434 2.751 20 5 EFBDRO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000618396333 480657130 /nfs/dbraw/zinc/65/71/30/480657130.db2.gz NMGBNFLYAWRDNA-LBPRGKRZSA-N 1 0 349.406 2.828 20 5 EFBDRO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000154854184 533753378 /nfs/dbraw/zinc/75/33/78/533753378.db2.gz KMVXQIJZWPVRRL-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COc1cc(C[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000183756896 533786177 /nfs/dbraw/zinc/78/61/77/533786177.db2.gz JWLWXWULMPFBOM-UHFFFAOYSA-N 1 0 331.372 2.682 20 5 EFBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000129972030 533796047 /nfs/dbraw/zinc/79/60/47/533796047.db2.gz PGXNXNHQQCYQIM-GFCCVEGCSA-N 1 0 336.388 2.613 20 5 EFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC(F)F)cc1 ZINC000179600133 533876732 /nfs/dbraw/zinc/87/67/32/533876732.db2.gz OAEOWXCXOZOUPY-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000191737806 533911522 /nfs/dbraw/zinc/91/15/22/533911522.db2.gz DFMJLGOYGBGGCL-NSHDSACASA-N 1 0 333.413 2.890 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000178649242 533977303 /nfs/dbraw/zinc/97/73/03/533977303.db2.gz AMEFNJSPPUEZKS-KBPBESRZSA-N 1 0 327.384 2.950 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000152734645 534040431 /nfs/dbraw/zinc/04/04/31/534040431.db2.gz VHIAASRNLNOYML-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000159829613 534320915 /nfs/dbraw/zinc/32/09/15/534320915.db2.gz HNVDVARVUQXNTD-MRXNPFEDSA-N 1 0 345.424 2.547 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000074136697 519350454 /nfs/dbraw/zinc/35/04/54/519350454.db2.gz WBASWEBMMMRJIS-GFCCVEGCSA-N 1 0 327.812 2.954 20 5 EFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1ccco1 ZINC000065512405 519655978 /nfs/dbraw/zinc/65/59/78/519655978.db2.gz BGYKOBGOLTZXNN-QGZVFWFLSA-N 1 0 348.399 2.976 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151066972 519677495 /nfs/dbraw/zinc/67/74/95/519677495.db2.gz NFVWXKZSKJGJSE-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161942265 519732201 /nfs/dbraw/zinc/73/22/01/519732201.db2.gz WCSHYZIRWYAISM-GFCCVEGCSA-N 1 0 339.823 2.956 20 5 EFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000154996499 534449933 /nfs/dbraw/zinc/44/99/33/534449933.db2.gz HXEKMVDGFTURLX-ZDUSSCGKSA-N 1 0 329.356 2.552 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191695685 520592637 /nfs/dbraw/zinc/59/26/37/520592637.db2.gz RODPWTPQXVCQNG-UHFFFAOYSA-N 1 0 337.420 2.764 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000069045122 520908850 /nfs/dbraw/zinc/90/88/50/520908850.db2.gz QPFWFDIBFGCTOB-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000117803998 521053692 /nfs/dbraw/zinc/05/36/92/521053692.db2.gz IBEAEGPNHZNPCL-UHFFFAOYSA-N 1 0 327.812 2.637 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090454447 521227488 /nfs/dbraw/zinc/22/74/88/521227488.db2.gz WLRIHFNEHQJQAU-RISCZKNCSA-N 1 0 330.388 2.925 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245413516 521497601 /nfs/dbraw/zinc/49/76/01/521497601.db2.gz BOOBVJCQCORZQI-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072837678 521732605 /nfs/dbraw/zinc/73/26/05/521732605.db2.gz JPOGONFEMULYRM-KGLIPLIRSA-N 1 0 337.445 2.800 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173031030 521921129 /nfs/dbraw/zinc/92/11/29/521921129.db2.gz VTGGPUDTWYIJBX-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177849361 521985735 /nfs/dbraw/zinc/98/57/35/521985735.db2.gz DECIFQDGQXUNPN-LLVKDONJSA-N 1 0 337.376 2.630 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000068117786 522010986 /nfs/dbraw/zinc/01/09/86/522010986.db2.gz HUNZYCJVENZHJP-KRWDZBQOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120945861 522099901 /nfs/dbraw/zinc/09/99/01/522099901.db2.gz VAIYJCPIYRBMIQ-KBPBESRZSA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154595984 522100670 /nfs/dbraw/zinc/10/06/70/522100670.db2.gz NQMFHMHGPARYNC-STQMWFEESA-N 1 0 342.399 2.746 20 5 EFBDRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1C ZINC000191297885 522106963 /nfs/dbraw/zinc/10/69/63/522106963.db2.gz CPDBMKBTOQLZND-UHFFFAOYSA-N 1 0 337.420 2.760 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000184652989 522306512 /nfs/dbraw/zinc/30/65/12/522306512.db2.gz ADZODEUMGDYFOQ-MRXNPFEDSA-N 1 0 333.432 2.766 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000184726543 522625928 /nfs/dbraw/zinc/62/59/28/522625928.db2.gz YNUFVKBYAWQNNL-FUHWJXTLSA-N 1 0 345.443 2.860 20 5 EFBDRO C[N@H+](CCCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])cn1 ZINC000157743388 522784963 /nfs/dbraw/zinc/78/49/63/522784963.db2.gz WXFPGHSYHWEWAY-UHFFFAOYSA-N 1 0 338.795 2.846 20 5 EFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000117333848 522799178 /nfs/dbraw/zinc/79/91/78/522799178.db2.gz WWNIHVSCGNMTEK-UHFFFAOYSA-N 1 0 331.328 2.618 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377462 522956747 /nfs/dbraw/zinc/95/67/47/522956747.db2.gz OMPRCRXGOPRUIS-GOSISDBHSA-N 1 0 339.395 2.875 20 5 EFBDRO C[N@H+](CCc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000173758343 522971251 /nfs/dbraw/zinc/97/12/51/522971251.db2.gz QHRSYLBGNYQMFN-MRXNPFEDSA-N 1 0 345.424 2.936 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883830 534680265 /nfs/dbraw/zinc/68/02/65/534680265.db2.gz VWXAUYLNLDNAEB-AWEZNQCLSA-N 1 0 343.387 2.656 20 5 EFBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120515533 523061231 /nfs/dbraw/zinc/06/12/31/523061231.db2.gz CFZFTMOXEPFPJM-XJKSGUPXSA-N 1 0 340.445 2.927 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000237425119 523132947 /nfs/dbraw/zinc/13/29/47/523132947.db2.gz KCDGQOPBMGCRPE-UHFFFAOYSA-N 1 0 332.356 2.868 20 5 EFBDRO CN(c1ncc([N+](=O)[O-])s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195512018 523666279 /nfs/dbraw/zinc/66/62/79/523666279.db2.gz VWOKOGRYWIKBFO-UHFFFAOYSA-N 1 0 347.444 2.590 20 5 EFBDRO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179098917 523936813 /nfs/dbraw/zinc/93/68/13/523936813.db2.gz AMDOGJRYGBUELO-HNNXBMFYSA-N 1 0 340.383 2.772 20 5 EFBDRO COCC[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061002542 523951206 /nfs/dbraw/zinc/95/12/06/523951206.db2.gz ZRPPVWHCDKDGFI-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153722265 534750960 /nfs/dbraw/zinc/75/09/60/534750960.db2.gz VJWFPQMTZXLULI-BBRMVZONSA-N 1 0 329.400 2.684 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120653468 524337515 /nfs/dbraw/zinc/33/75/15/524337515.db2.gz TYACZWGSRMVEPM-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150788870 524339992 /nfs/dbraw/zinc/33/99/92/524339992.db2.gz YWEMTTCZUQEEDS-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000119774202 524633355 /nfs/dbraw/zinc/63/33/55/524633355.db2.gz WMKJOHFFBRWNDZ-KSSFIOAISA-N 1 0 339.395 2.845 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000150978542 524657549 /nfs/dbraw/zinc/65/75/49/524657549.db2.gz UEFOOYKYXYAEAH-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920574 524659736 /nfs/dbraw/zinc/65/97/36/524659736.db2.gz PXVOORNDVKHZQC-CALCHBBNSA-N 1 0 346.475 2.585 20 5 EFBDRO Cc1cccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866838 524742498 /nfs/dbraw/zinc/74/24/98/524742498.db2.gz TVZBANOMLAOLGG-OAHLLOKOSA-N 1 0 342.399 2.863 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000237386164 524883465 /nfs/dbraw/zinc/88/34/65/524883465.db2.gz ANJZLDGKTZWMJI-MNOVXSKESA-N 1 0 346.412 2.541 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000216196352 524898325 /nfs/dbraw/zinc/89/83/25/524898325.db2.gz PSXXJDSGUXAVSI-GXSJLCMTSA-N 1 0 328.210 2.526 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893694 525011649 /nfs/dbraw/zinc/01/16/49/525011649.db2.gz UXTIKDYLEBQCBV-ZYHUDNBSSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893971 525021801 /nfs/dbraw/zinc/02/18/01/525021801.db2.gz UXTIKDYLEBQCBV-PWSUYJOCSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@]1(C[NH3+])CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000261635307 525244363 /nfs/dbraw/zinc/24/43/63/525244363.db2.gz WKYGPCKJLKDFSK-CYBMUJFWSA-N 1 0 328.210 2.528 20 5 EFBDRO COc1ccc([C@H](CO)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112995841 525362378 /nfs/dbraw/zinc/36/23/78/525362378.db2.gz GWYJTVXBSJWIQJ-SFHVURJKSA-N 1 0 346.383 2.648 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137457090 525433750 /nfs/dbraw/zinc/43/37/50/525433750.db2.gz NQYBJGQNILBBBE-ZBFHGGJFSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000195235730 525466396 /nfs/dbraw/zinc/46/63/96/525466396.db2.gz BEIVQRZLXLZTKZ-LBPRGKRZSA-N 1 0 349.412 2.817 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000194719702 525468116 /nfs/dbraw/zinc/46/81/16/525468116.db2.gz FJBDAEGMMDQYMN-NWDGAFQWSA-N 1 0 344.371 2.676 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165829478 525523191 /nfs/dbraw/zinc/52/31/91/525523191.db2.gz UVUCNMOCRDELSU-VHSXEESVSA-N 1 0 343.225 2.990 20 5 EFBDRO Cc1c(Br)c(NC[C@@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000230581586 525523495 /nfs/dbraw/zinc/52/34/95/525523495.db2.gz YFMXZKZTHQUXDX-MRVPVSSYSA-N 1 0 343.225 2.955 20 5 EFBDRO Cc1c(Br)c(N[C@H](C)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165814542 525524198 /nfs/dbraw/zinc/52/41/98/525524198.db2.gz NICSHKUVYZKJHS-ZJUUUORDSA-N 1 0 343.225 2.861 20 5 EFBDRO Cc1c(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000125830115 525691647 /nfs/dbraw/zinc/69/16/47/525691647.db2.gz OUZYBXNDDYWVTL-MRXNPFEDSA-N 1 0 345.443 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCOC3)s2)cc1 ZINC000179025885 534881003 /nfs/dbraw/zinc/88/10/03/534881003.db2.gz BEBVGBKWEXRMOM-MRXNPFEDSA-N 1 0 334.397 2.564 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCSC3)o2)cc1 ZINC000176754089 534881144 /nfs/dbraw/zinc/88/11/44/534881144.db2.gz GQQTYDLOBYJFIK-INIZCTEOSA-N 1 0 334.397 2.812 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000121566740 526059567 /nfs/dbraw/zinc/05/95/67/526059567.db2.gz QWDDHKRFDCQUNU-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000343556280 534908512 /nfs/dbraw/zinc/90/85/12/534908512.db2.gz SAZLYFOORBDZNH-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081290084 526214541 /nfs/dbraw/zinc/21/45/41/526214541.db2.gz PHZONMPZQVHTLN-INIZCTEOSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000188072966 526242358 /nfs/dbraw/zinc/24/23/58/526242358.db2.gz JCKXACZODNBHRZ-GFCCVEGCSA-N 1 0 337.395 2.780 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153597836 526260760 /nfs/dbraw/zinc/26/07/60/526260760.db2.gz KVLAWUHDLSQTNQ-YJBOKZPZSA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000193774408 526538823 /nfs/dbraw/zinc/53/88/23/526538823.db2.gz XRSMLUXBTVJCGO-AWEZNQCLSA-N 1 0 345.424 2.908 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181485866 526692832 /nfs/dbraw/zinc/69/28/32/526692832.db2.gz IGKSWHYHCOZBAD-ZDUSSCGKSA-N 1 0 343.811 2.573 20 5 EFBDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000181477300 526693164 /nfs/dbraw/zinc/69/31/64/526693164.db2.gz SLUOWHUCINHGMY-ZDUSSCGKSA-N 1 0 343.811 2.573 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174174 526760625 /nfs/dbraw/zinc/76/06/25/526760625.db2.gz ZSEXYNPQOUQVHG-SFHVURJKSA-N 1 0 339.395 2.876 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157892832 527192266 /nfs/dbraw/zinc/19/22/66/527192266.db2.gz CETGZVFPDDYAPJ-NSHDSACASA-N 1 0 342.237 2.918 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCCCC3)CC2)nc2sccn21 ZINC000152433997 527321783 /nfs/dbraw/zinc/32/17/83/527321783.db2.gz LBDDPHAPVXDDQI-UHFFFAOYSA-N 1 0 335.433 2.759 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CCOC4)C3)co2)cc1 ZINC000089909467 527342145 /nfs/dbraw/zinc/34/21/45/527342145.db2.gz JRONIUIOXBOYQY-QGZVFWFLSA-N 1 0 329.356 2.862 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C1CC1 ZINC000090454154 527402043 /nfs/dbraw/zinc/40/20/43/527402043.db2.gz OMXKVRORKIQZFF-DOTOQJQBSA-N 1 0 326.400 2.786 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156369732 527403956 /nfs/dbraw/zinc/40/39/56/527403956.db2.gz SOXYIKBFRKTFPL-OAHLLOKOSA-N 1 0 329.356 2.522 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000181010059 527414225 /nfs/dbraw/zinc/41/42/25/527414225.db2.gz YQXITQYPTZOWNA-UHFFFAOYSA-N 1 0 328.328 2.966 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174534154 527627119 /nfs/dbraw/zinc/62/71/19/527627119.db2.gz JWFSROZMUGTXPV-OZSKJFCKSA-N 1 0 343.427 2.942 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238033438 527627449 /nfs/dbraw/zinc/62/74/49/527627449.db2.gz CLGYPKPCPUJPOD-VOTSOKGWSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237725894 527677343 /nfs/dbraw/zinc/67/73/43/527677343.db2.gz BQGHBYUQBIOSGY-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)O1 ZINC000155159383 527744400 /nfs/dbraw/zinc/74/44/00/527744400.db2.gz RFKRJMMYXQTWMY-AWEZNQCLSA-N 1 0 336.388 2.897 20 5 EFBDRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000131880940 527786109 /nfs/dbraw/zinc/78/61/09/527786109.db2.gz WVLOPIYBAUSOQW-OAHLLOKOSA-N 1 0 335.404 2.733 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000174646849 527968399 /nfs/dbraw/zinc/96/83/99/527968399.db2.gz LKCVGZUMNIGHDD-UHFFFAOYSA-N 1 0 327.812 2.639 20 5 EFBDRO CCO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000154461207 528073095 /nfs/dbraw/zinc/07/30/95/528073095.db2.gz PMLNESPOTYQMPL-BBWFWOEESA-N 1 0 334.416 2.908 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184289716 528121117 /nfs/dbraw/zinc/12/11/17/528121117.db2.gz KQVYCTFCRFAFFZ-UHFFFAOYSA-N 1 0 336.436 2.617 20 5 EFBDRO CCC[C@H](CCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000173847932 528124334 /nfs/dbraw/zinc/12/43/34/528124334.db2.gz HAVNQCWGFJHOOX-CQSZACIVSA-N 1 0 346.431 2.884 20 5 EFBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174027913 528165413 /nfs/dbraw/zinc/16/54/13/528165413.db2.gz IIGYQPVGJSUSMA-LBPRGKRZSA-N 1 0 325.434 2.997 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136147866 528201887 /nfs/dbraw/zinc/20/18/87/528201887.db2.gz ZPXNYTPPCJXUPD-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CC(C)C ZINC000181076944 528276803 /nfs/dbraw/zinc/27/68/03/528276803.db2.gz VDIPTVBFCMTJCM-ZDUSSCGKSA-N 1 0 336.436 2.663 20 5 EFBDRO CC[NH2+]CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000130013151 528289813 /nfs/dbraw/zinc/28/98/13/528289813.db2.gz RTUPLKYCAKCXHT-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191537925 528461118 /nfs/dbraw/zinc/46/11/18/528461118.db2.gz WVTCTBUAZFYUQU-UHFFFAOYSA-N 1 0 349.431 2.906 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154220352 528594911 /nfs/dbraw/zinc/59/49/11/528594911.db2.gz WPHVRXRDUJTXGI-HIFRSBDPSA-N 1 0 338.404 2.840 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000153909630 528595978 /nfs/dbraw/zinc/59/59/78/528595978.db2.gz QMKXIYZITLRQQT-JRPNMDOOSA-N 1 0 328.434 2.757 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000153909845 528598204 /nfs/dbraw/zinc/59/82/04/528598204.db2.gz QMKXIYZITLRQQT-UEKVPHQBSA-N 1 0 328.434 2.757 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173749703 528923582 /nfs/dbraw/zinc/92/35/82/528923582.db2.gz JADDCIOWEIJUPI-CQSZACIVSA-N 1 0 338.404 2.731 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000174114761 528959720 /nfs/dbraw/zinc/95/97/20/528959720.db2.gz BBYIFNRTIBOPLR-BQYQJAHWSA-N 1 0 331.416 2.846 20 5 EFBDRO CCC[C@@H]([NH2+][C@H](CC)C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000165117179 529021990 /nfs/dbraw/zinc/02/19/90/529021990.db2.gz IASOIOUHPFBSTR-IAGOWNOFSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000179619221 529171779 /nfs/dbraw/zinc/17/17/79/529171779.db2.gz OCPTZMQBLQQMQY-OAHLLOKOSA-N 1 0 337.326 2.776 20 5 EFBDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178670991 529207434 /nfs/dbraw/zinc/20/74/34/529207434.db2.gz BMGYDTVNASEWBL-OLZOCXBDSA-N 1 0 345.321 2.799 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000131467055 529248015 /nfs/dbraw/zinc/24/80/15/529248015.db2.gz REKGSRGRNPMHSE-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000411975063 534943130 /nfs/dbraw/zinc/94/31/30/534943130.db2.gz XFOYMDUIZJHCGR-UHFFFAOYSA-N 1 0 349.431 2.938 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000412285191 534944693 /nfs/dbraw/zinc/94/46/93/534944693.db2.gz KNUGYRLHCJQQFG-MRXNPFEDSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000412354546 534946676 /nfs/dbraw/zinc/94/66/76/534946676.db2.gz BNKZHZDMOIUGGE-SFHVURJKSA-N 1 0 347.415 2.550 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412134054 534949948 /nfs/dbraw/zinc/94/99/48/534949948.db2.gz LGWUKKMTNYQVDO-GXTWGEPZSA-N 1 0 335.404 2.595 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421887303 534978525 /nfs/dbraw/zinc/97/85/25/534978525.db2.gz SQLKZGLTLNUZAE-CXAGYDPISA-N 1 0 331.416 2.820 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236797316 535093453 /nfs/dbraw/zinc/09/34/53/535093453.db2.gz IKIDFELWWXXDJO-INIZCTEOSA-N 1 0 331.416 2.722 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000418657276 535227264 /nfs/dbraw/zinc/22/72/64/535227264.db2.gz GXLADLHQIUXBOO-DZGCQCFKSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000418632562 535228003 /nfs/dbraw/zinc/22/80/03/535228003.db2.gz ZDXKBFBOTWUHRX-CQSZACIVSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236821831 535307380 /nfs/dbraw/zinc/30/73/80/535307380.db2.gz ZBTKGPRVDLAHKR-MEBBXXQBSA-N 1 0 343.811 2.505 20 5 EFBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266523850 535336811 /nfs/dbraw/zinc/33/68/11/535336811.db2.gz JJXBWYQQSXLRQQ-WMZOPIPTSA-N 1 0 344.415 2.552 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000360882009 535368119 /nfs/dbraw/zinc/36/81/19/535368119.db2.gz BSKFGVAQNCQFQI-IRXDYDNUSA-N 1 0 334.416 2.694 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000349204541 535411582 /nfs/dbraw/zinc/41/15/82/535411582.db2.gz XBAMIMCRZGEZAO-GFCCVEGCSA-N 1 0 335.404 2.655 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000193876092 535412543 /nfs/dbraw/zinc/41/25/43/535412543.db2.gz IYKMSYWRLMAAHE-KWCYVHTRSA-N 1 0 336.388 2.986 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000343491695 535420601 /nfs/dbraw/zinc/42/06/01/535420601.db2.gz BCLDKGSXHXWSKT-QWHCGFSZSA-N 1 0 335.404 2.655 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415661260 535430063 /nfs/dbraw/zinc/43/00/63/535430063.db2.gz QBHRPIPPFVRYGB-FRRDWIJNSA-N 1 0 348.403 2.503 20 5 EFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000347577177 535437201 /nfs/dbraw/zinc/43/72/01/535437201.db2.gz ZQMVXLRZBKTMHI-MRXNPFEDSA-N 1 0 339.411 2.667 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000422890677 535456907 /nfs/dbraw/zinc/45/69/07/535456907.db2.gz SWDXZSRKIWYDDN-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266235699 535525772 /nfs/dbraw/zinc/52/57/72/535525772.db2.gz VMVFVVOCNYVSBT-CABCVRRESA-N 1 0 336.436 2.847 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246976168 535562682 /nfs/dbraw/zinc/56/26/82/535562682.db2.gz JMDAEEVBHMSQBN-UKRRQHHQSA-N 1 0 334.420 2.748 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412399519 535562896 /nfs/dbraw/zinc/56/28/96/535562896.db2.gz ZRKZQRFBHNNCRB-XOKHGSTOSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[N@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000230214828 535741494 /nfs/dbraw/zinc/74/14/94/535741494.db2.gz YUIZRUNCOQUMTP-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000226357401 535741783 /nfs/dbraw/zinc/74/17/83/535741783.db2.gz IVUCWDJHXWMOCK-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO CCC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000347580344 535742024 /nfs/dbraw/zinc/74/20/24/535742024.db2.gz LPZOVLNJWYVYHB-KRWDZBQOSA-N 1 0 335.448 2.836 20 5 EFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000347577176 535742127 /nfs/dbraw/zinc/74/21/27/535742127.db2.gz ZQMVXLRZBKTMHI-INIZCTEOSA-N 1 0 339.411 2.667 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345935218 535777160 /nfs/dbraw/zinc/77/71/60/535777160.db2.gz APRPFZXTTWVNNM-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266000070 535815500 /nfs/dbraw/zinc/81/55/00/535815500.db2.gz IXIUTUYNRVNCPC-LSDHHAIUSA-N 1 0 346.387 2.770 20 5 EFBDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000342288334 535897661 /nfs/dbraw/zinc/89/76/61/535897661.db2.gz OYDMYEXUXQKQLG-HNNXBMFYSA-N 1 0 340.445 2.850 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000351250670 536015859 /nfs/dbraw/zinc/01/58/59/536015859.db2.gz KYCLNKZUFWXHTQ-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO CC[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660566 536077579 /nfs/dbraw/zinc/07/75/79/536077579.db2.gz CNPXUGPNXDHHLF-KBPBESRZSA-N 1 0 340.445 2.927 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361136585 536105081 /nfs/dbraw/zinc/10/50/81/536105081.db2.gz QXKGSBAPNBYMDO-ZDUSSCGKSA-N 1 0 342.399 2.866 20 5 EFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000348004498 536345457 /nfs/dbraw/zinc/34/54/57/536345457.db2.gz FBNIDXKNQNLXPW-UHFFFAOYSA-N 1 0 343.387 2.681 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349077864 536371203 /nfs/dbraw/zinc/37/12/03/536371203.db2.gz QLVBIRWLKYMRIN-UHFFFAOYSA-N 1 0 329.347 2.724 20 5 EFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435368932 536376142 /nfs/dbraw/zinc/37/61/42/536376142.db2.gz CRGIRTNYHYDKPP-GFCCVEGCSA-N 1 0 331.372 2.657 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000351196345 536562207 /nfs/dbraw/zinc/56/22/07/536562207.db2.gz BKKWFTIDXQRPDO-IAQYHMDHSA-N 1 0 338.795 2.811 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342128079 536587498 /nfs/dbraw/zinc/58/74/98/536587498.db2.gz RLLDRNGXKOABBL-KSSFIOAISA-N 1 0 348.399 2.769 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@@H]1CCCC2 ZINC000342149775 536587970 /nfs/dbraw/zinc/58/79/70/536587970.db2.gz GRXMWCLMYMVUGB-KSSFIOAISA-N 1 0 348.399 2.769 20 5 EFBDRO COc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000355815481 536889877 /nfs/dbraw/zinc/88/98/77/536889877.db2.gz BDZNMKCCVRPECO-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1ccc(C[NH2+]CCc2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000344884737 536891778 /nfs/dbraw/zinc/89/17/78/536891778.db2.gz KVVXSNZRAQCNBI-UHFFFAOYSA-N 1 0 326.356 2.812 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435378983 536896129 /nfs/dbraw/zinc/89/61/29/536896129.db2.gz KUWBLHXAGQIABA-LBPRGKRZSA-N 1 0 331.372 2.787 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435390759 536896306 /nfs/dbraw/zinc/89/63/06/536896306.db2.gz TZZFHQWFFKAMJL-UHFFFAOYSA-N 1 0 331.372 2.659 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000414884347 536943134 /nfs/dbraw/zinc/94/31/34/536943134.db2.gz NSJZFTAZJOWBDE-CVEARBPZSA-N 1 0 347.440 2.900 20 5 EFBDRO COc1cccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000344767874 537082401 /nfs/dbraw/zinc/08/24/01/537082401.db2.gz FYEKIJHMLFULFL-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000754250516 575410660 /nfs/dbraw/zinc/41/06/60/575410660.db2.gz JBXPGHSXVIPXKU-BZNIZROVSA-N 1 0 331.328 2.887 20 5 EFBDRO O=C(CC[NH2+][C@H](CCO)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000754385053 575428943 /nfs/dbraw/zinc/42/89/43/575428943.db2.gz HVFZOSOAGGFBOJ-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO COCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000754547524 575450649 /nfs/dbraw/zinc/45/06/49/575450649.db2.gz WGPFKAHBNULHCG-JKSUJKDBSA-N 1 0 334.372 2.897 20 5 EFBDRO C[C@@H]1C[NH+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000754614916 575461674 /nfs/dbraw/zinc/46/16/74/575461674.db2.gz RHKXRVPZSWJFDD-ZIAGYGMSSA-N 1 0 347.419 2.544 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756335033 575719413 /nfs/dbraw/zinc/71/94/13/575719413.db2.gz WBMMIYNPTYUWOR-VHSXEESVSA-N 1 0 326.784 2.805 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756778206 575786096 /nfs/dbraw/zinc/78/60/96/575786096.db2.gz QZUPGICGHXFLKB-UHFFFAOYSA-N 1 0 340.811 2.533 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000757661436 575848342 /nfs/dbraw/zinc/84/83/42/575848342.db2.gz MAXXZUBBDDUMJG-OAHLLOKOSA-N 1 0 342.399 2.993 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000758488004 575870792 /nfs/dbraw/zinc/87/07/92/575870792.db2.gz WHLZZCVSELOALS-AWEZNQCLSA-N 1 0 335.379 2.743 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758502381 575871052 /nfs/dbraw/zinc/87/10/52/575871052.db2.gz CCUINLXOJOMZQO-CYBMUJFWSA-N 1 0 337.395 2.846 20 5 EFBDRO COC(C)(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758815706 575877873 /nfs/dbraw/zinc/87/78/73/575877873.db2.gz LOKFRYHGYHMSKC-JTQLQIEISA-N 1 0 343.811 2.932 20 5 EFBDRO CN1CCCC[C@@H]1C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760523311 576040000 /nfs/dbraw/zinc/04/00/00/576040000.db2.gz YQVIWQBAURHOKN-OAHLLOKOSA-N 1 0 345.355 2.777 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000760576869 576049124 /nfs/dbraw/zinc/04/91/24/576049124.db2.gz MXSVBVULXIPAGJ-DGCLKSJQSA-N 1 0 347.387 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000760883025 576084599 /nfs/dbraw/zinc/08/45/99/576084599.db2.gz WJKDERYLZCRTCK-UHFFFAOYSA-N 1 0 332.791 2.965 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000761040719 576103442 /nfs/dbraw/zinc/10/34/42/576103442.db2.gz JLUFATRTCZEBCF-JTQLQIEISA-N 1 0 331.294 2.808 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000761050506 576104844 /nfs/dbraw/zinc/10/48/44/576104844.db2.gz KNTJLQOGEWKPKN-SNVBAGLBSA-N 1 0 331.294 2.808 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000761121545 576116917 /nfs/dbraw/zinc/11/69/17/576116917.db2.gz WBCZYXZAWQACHJ-QGZVFWFLSA-N 1 0 342.399 2.600 20 5 EFBDRO NC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511704 576172978 /nfs/dbraw/zinc/17/29/78/576172978.db2.gz ODSBNYYPBAAPFQ-UHFFFAOYSA-N 1 0 325.796 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1Cl ZINC000763477070 576378685 /nfs/dbraw/zinc/37/86/85/576378685.db2.gz SBYGLFNXVWTTSB-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO [NH2+]=C(NOCc1c(F)cccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 ZINC000764578697 576474627 /nfs/dbraw/zinc/47/46/27/576474627.db2.gz PPRNIWUVBRFJDT-OAHLLOKOSA-N 1 0 347.302 2.572 20 5 EFBDRO Cc1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000765007435 576536028 /nfs/dbraw/zinc/53/60/28/576536028.db2.gz DOPGTPURHJGPDU-INIZCTEOSA-N 1 0 343.431 2.771 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000765380369 577037156 /nfs/dbraw/zinc/03/71/56/577037156.db2.gz DIEYCOUAGOZPDZ-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO C[C@H](Cc1cnccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765442245 577042670 /nfs/dbraw/zinc/04/26/70/577042670.db2.gz UGWHWWNZUMPONO-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000765508849 577048650 /nfs/dbraw/zinc/04/86/50/577048650.db2.gz LDCWEKXVSSKNNW-ZJUUUORDSA-N 1 0 341.795 2.929 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765630953 577061187 /nfs/dbraw/zinc/06/11/87/577061187.db2.gz PGSLRUCXXPRAIB-HZPDHXFCSA-N 1 0 347.415 2.736 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000765795186 577077861 /nfs/dbraw/zinc/07/78/61/577077861.db2.gz GGTWDCNRNQMAOY-AWEZNQCLSA-N 1 0 335.379 2.789 20 5 EFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849339 577082617 /nfs/dbraw/zinc/08/26/17/577082617.db2.gz OQDQZLYETSIUNW-IRXDYDNUSA-N 1 0 328.368 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000765849797 577082946 /nfs/dbraw/zinc/08/29/46/577082946.db2.gz QUEVYPSREYQESJ-GOSISDBHSA-N 1 0 333.432 2.625 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000765979706 577094701 /nfs/dbraw/zinc/09/47/01/577094701.db2.gz WZUHSRRFKHXUEA-KDOFPFPSSA-N 1 0 333.432 2.889 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000766141534 577113904 /nfs/dbraw/zinc/11/39/04/577113904.db2.gz MYBJZZHSKQKRRU-XHDPSFHLSA-N 1 0 347.371 2.537 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766554145 577166107 /nfs/dbraw/zinc/16/61/07/577166107.db2.gz FWEDZFGGNARADR-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000766555038 577166166 /nfs/dbraw/zinc/16/61/66/577166166.db2.gz IBKUPEDMYFHTDI-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000766555036 577166198 /nfs/dbraw/zinc/16/61/98/577166198.db2.gz IBKUPEDMYFHTDI-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO CS[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1[NH+](C)C ZINC000767292984 577203033 /nfs/dbraw/zinc/20/30/33/577203033.db2.gz WHTJVWREZAJDTO-AAEUAGOBSA-N 1 0 338.458 2.686 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000768945898 577319204 /nfs/dbraw/zinc/31/92/04/577319204.db2.gz MYHABOMXDMQVAO-SNVBAGLBSA-N 1 0 327.356 2.737 20 5 EFBDRO C[N@H+](CCOC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769051495 577328412 /nfs/dbraw/zinc/32/84/12/577328412.db2.gz XNNSEUFGBXWUJU-UHFFFAOYSA-N 1 0 346.358 2.952 20 5 EFBDRO CCCC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726586539 577374241 /nfs/dbraw/zinc/37/42/41/577374241.db2.gz LKRXTCCWNQNGEE-UHFFFAOYSA-N 1 0 346.387 2.585 20 5 EFBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000726586371 577374258 /nfs/dbraw/zinc/37/42/58/577374258.db2.gz WWRKFDFTGCHJHD-UHFFFAOYSA-N 1 0 346.387 2.585 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000770016334 577397842 /nfs/dbraw/zinc/39/78/42/577397842.db2.gz NHOYVNSYDREJNE-JSGCOSHPSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000770018380 577397985 /nfs/dbraw/zinc/39/79/85/577397985.db2.gz YIQIIHJAVARRLI-LBPRGKRZSA-N 1 0 336.779 2.726 20 5 EFBDRO C[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000771387374 581206693 /nfs/dbraw/zinc/20/66/93/581206693.db2.gz JTIKAVWYGPKGGU-LSDHHAIUSA-N 1 0 333.432 2.968 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000772071863 581278282 /nfs/dbraw/zinc/27/82/82/581278282.db2.gz QEWCVJJYDVTLIY-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000772256047 581300443 /nfs/dbraw/zinc/30/04/43/581300443.db2.gz FSAKVHBHTOKCIW-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn21 ZINC000772905016 581379861 /nfs/dbraw/zinc/37/98/61/581379861.db2.gz STEPGHWHOFULKX-UKRRQHHQSA-N 1 0 341.415 2.696 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)n1 ZINC000773091403 581396037 /nfs/dbraw/zinc/39/60/37/581396037.db2.gz WYAANSWCHLYMQL-NSHDSACASA-N 1 0 332.335 2.636 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2ccccc2)n1 ZINC000774120935 581484406 /nfs/dbraw/zinc/48/44/06/581484406.db2.gz WCYDKBQLYGPAPW-ARFHVFGLSA-N 1 0 330.388 2.598 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000774132354 581484835 /nfs/dbraw/zinc/48/48/35/581484835.db2.gz AETSHFDAMNHKNY-OAGGEKHMSA-N 1 0 335.452 2.739 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2ccccc2F)n1 ZINC000774136103 581485071 /nfs/dbraw/zinc/48/50/71/581485071.db2.gz XMYUJJVELUDKJU-OAGGEKHMSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccccc2F)n1 ZINC000774136094 581485076 /nfs/dbraw/zinc/48/50/76/581485076.db2.gz XMYUJJVELUDKJU-BZUAXINKSA-N 1 0 348.378 2.737 20 5 EFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000774194814 581486881 /nfs/dbraw/zinc/48/68/81/581486881.db2.gz ZJZOBLOAMOYACD-BQFCYCMXSA-N 1 0 344.415 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNc1ncccn1)CCC2 ZINC000774220725 581487475 /nfs/dbraw/zinc/48/74/75/581487475.db2.gz ZRWWFZGSAJPLLY-MRXNPFEDSA-N 1 0 327.388 2.854 20 5 EFBDRO CC[N@H+](C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774635437 581495846 /nfs/dbraw/zinc/49/58/46/581495846.db2.gz IIEFGEHFHYIVOQ-LLVKDONJSA-N 1 0 338.795 2.914 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[NH+](C4CCC4)CC3)c2c(Cl)c1 ZINC000774638210 581496069 /nfs/dbraw/zinc/49/60/69/581496069.db2.gz QLOYYMKRDXGMAN-UHFFFAOYSA-N 1 0 349.822 2.726 20 5 EFBDRO C[C@H]([NH3+])C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000700211080 1250178605 /nfs/dbraw/zinc/17/86/05/1250178605.db2.gz PBHNCAQVPDHADE-VIFPVBQESA-N 1 0 328.210 2.921 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000823770650 1265427260 /nfs/dbraw/zinc/42/72/60/1265427260.db2.gz WQLNAUNRVUCGMB-SNVBAGLBSA-N 1 0 343.786 2.801 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000850395544 1250462855 /nfs/dbraw/zinc/46/28/55/1250462855.db2.gz ALICQWQYBXPLLU-NSHDSACASA-N 1 0 339.823 2.985 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000850449320 1250489932 /nfs/dbraw/zinc/48/99/32/1250489932.db2.gz VMNLSRKQEBWIBL-GXTWGEPZSA-N 1 0 336.388 2.940 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000850468509 1250496017 /nfs/dbraw/zinc/49/60/17/1250496017.db2.gz HYMFDEXNXYOTHT-GYOIFBIXSA-N 1 0 344.367 2.749 20 5 EFBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000851657840 1251183408 /nfs/dbraw/zinc/18/34/08/1251183408.db2.gz ODUQZLUWPBMLIA-MFKMUULPSA-N 1 0 340.811 2.517 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851715409 1251222930 /nfs/dbraw/zinc/22/29/30/1251222930.db2.gz TVFMALVYDZIFNP-IAGOWNOFSA-N 1 0 346.475 2.695 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107220906 1255380815 /nfs/dbraw/zinc/38/08/15/1255380815.db2.gz XZUKEHWNYGUPFK-IHWYPQMZSA-N 1 0 346.431 2.555 20 5 EFBDRO Cc1ccc(NC/C=C\CNC(=O)CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001107269318 1255486173 /nfs/dbraw/zinc/48/61/73/1255486173.db2.gz NATHLMMIIHNTHS-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107275390 1255498378 /nfs/dbraw/zinc/49/83/78/1255498378.db2.gz UERGUDHVRJMPHB-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO CC1(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000996887789 1256333791 /nfs/dbraw/zinc/33/37/91/1256333791.db2.gz WEJVSSQLWYUMMV-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996900761 1256411541 /nfs/dbraw/zinc/41/15/41/1256411541.db2.gz QYNYQIGVOHGQAU-ZSHCYNCHSA-N 1 0 343.427 2.722 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168548917 1257133320 /nfs/dbraw/zinc/13/33/20/1257133320.db2.gz KCKFBIWJADCJHU-LBPRGKRZSA-N 1 0 341.367 2.966 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168548916 1257133535 /nfs/dbraw/zinc/13/35/35/1257133535.db2.gz KCKFBIWJADCJHU-GFCCVEGCSA-N 1 0 341.367 2.966 20 5 EFBDRO O=C(C1CCC1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997463787 1257596532 /nfs/dbraw/zinc/59/65/32/1257596532.db2.gz IDEVGAUZPGBJGH-UHFFFAOYSA-N 1 0 337.445 2.785 20 5 EFBDRO O=C(CC1CC1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997464822 1257597051 /nfs/dbraw/zinc/59/70/51/1257597051.db2.gz BHJDAFZUADKXRQ-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO O=C(CC1CC1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997464343 1257597215 /nfs/dbraw/zinc/59/72/15/1257597215.db2.gz LWYJVPIYKIZUIC-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CC(C)(F)C(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997460435 1257612118 /nfs/dbraw/zinc/61/21/18/1257612118.db2.gz FASYWWOEKFOCNQ-UHFFFAOYSA-N 1 0 343.424 2.733 20 5 EFBDRO CC(C)(F)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997460973 1257613529 /nfs/dbraw/zinc/61/35/29/1257613529.db2.gz MFLQHDXJKGDYRL-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO O=C(c1ccco1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997478489 1257749808 /nfs/dbraw/zinc/74/98/08/1257749808.db2.gz WPZXZNSOFRZHFB-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO CC(C)=CC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997495339 1257790688 /nfs/dbraw/zinc/79/06/88/1257790688.db2.gz NEHCSXPXKBZGRY-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997663882 1258190591 /nfs/dbraw/zinc/19/05/91/1258190591.db2.gz OZFXMRIACPOBCG-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO O=C(c1cc[nH]c1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997805533 1258460611 /nfs/dbraw/zinc/46/06/11/1258460611.db2.gz YMAUJIQPGJQGSY-UHFFFAOYSA-N 1 0 348.428 2.626 20 5 EFBDRO CCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946424350 1258755432 /nfs/dbraw/zinc/75/54/32/1258755432.db2.gz IAYCHHYXCOCUJP-OKILXGFUSA-N 1 0 337.445 2.737 20 5 EFBDRO O=C(C1CC1)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946432817 1258774722 /nfs/dbraw/zinc/77/47/22/1258774722.db2.gz AWXTUSODMOHMCD-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO O=C(N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CC1 ZINC000998065746 1259061134 /nfs/dbraw/zinc/06/11/34/1259061134.db2.gz NAGYGBBVBOALMQ-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CCC[N@H+](C)CC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089951064 1261142810 /nfs/dbraw/zinc/14/28/10/1261142810.db2.gz WSLKYPSBXUKXGX-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843128443 1261159835 /nfs/dbraw/zinc/15/98/35/1261159835.db2.gz XLDKZPWLZLTVSZ-ZWNOBZJWSA-N 1 0 340.221 2.541 20 5 EFBDRO CC[N@H+](C)CCC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089958632 1261261404 /nfs/dbraw/zinc/26/14/04/1261261404.db2.gz NOIOIKXMSNDLLX-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923355028 1261550528 /nfs/dbraw/zinc/55/05/28/1261550528.db2.gz DVKYGFBJXLIMTC-ZDUSSCGKSA-N 1 0 328.210 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923358899 1261545456 /nfs/dbraw/zinc/54/54/56/1261545456.db2.gz MIWYOYXVZXWXHM-IINYFYTJSA-N 1 0 340.221 2.541 20 5 EFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000923376438 1261576956 /nfs/dbraw/zinc/57/69/56/1261576956.db2.gz XNMHLSSGXROIFU-CMPLNLGQSA-N 1 0 342.237 2.774 20 5 EFBDRO CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH3+] ZINC000923421359 1261644964 /nfs/dbraw/zinc/64/49/64/1261644964.db2.gz NDRGTNBXERDYJI-NWDGAFQWSA-N 1 0 328.210 2.573 20 5 EFBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000922640262 1266513910 /nfs/dbraw/zinc/51/39/10/1266513910.db2.gz RRNOXUNODRXDLF-OAHLLOKOSA-N 1 0 343.383 2.955 20 5 EFBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000843149513 1262878746 /nfs/dbraw/zinc/87/87/46/1262878746.db2.gz AKZUKIDWOAKMKL-AWEZNQCLSA-N 1 0 331.376 2.901 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164462792 1263094401 /nfs/dbraw/zinc/09/44/01/1263094401.db2.gz UKROOGDRQGJELV-UWVGGRQHSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080307 1263344016 /nfs/dbraw/zinc/34/40/16/1263344016.db2.gz JOFWJBGCSKSHLK-KSSFIOAISA-N 1 0 330.384 2.511 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CCC3CC[NH2+]CC3)n2)c1 ZINC000843223667 1264653092 /nfs/dbraw/zinc/65/30/92/1264653092.db2.gz UCRQFOSQAHFTEV-UHFFFAOYSA-N 1 0 346.387 2.509 20 5 EFBDRO Cc1nc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1Br ZINC001231121167 1265143411 /nfs/dbraw/zinc/14/34/11/1265143411.db2.gz HXJUAUYABYBBQE-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[NH+](C4CCC4)CC3)c2)cc1 ZINC000733298004 1265165838 /nfs/dbraw/zinc/16/58/38/1265165838.db2.gz OXMLKROTDQLBKI-UHFFFAOYSA-N 1 0 341.415 2.586 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000823678446 1265411317 /nfs/dbraw/zinc/41/13/17/1265411317.db2.gz MGANTEPPCDWACL-HOCLYGCPSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000734152175 1266885795 /nfs/dbraw/zinc/88/57/95/1266885795.db2.gz QTFISQAAZZYSQI-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])c(C)nn3C)cc2)CC1 ZINC000734141291 1266888829 /nfs/dbraw/zinc/88/88/29/1266888829.db2.gz HBQMAXPPVBQVMK-UHFFFAOYSA-N 1 0 344.419 2.522 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000735562393 1267366295 /nfs/dbraw/zinc/36/62/95/1267366295.db2.gz KKYSUPOMHZFRMZ-HNNXBMFYSA-N 1 0 339.823 2.545 20 5 EFBDRO CN(C(=O)C(C)(C)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005031310 1268432414 /nfs/dbraw/zinc/43/24/14/1268432414.db2.gz RLJGISPUOYVFII-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000825143177 1278428454 /nfs/dbraw/zinc/42/84/54/1278428454.db2.gz BWKVFWTUSCOWPS-HNNXBMFYSA-N 1 0 333.432 2.970 20 5 EFBDRO C[NH+](C)CCCOC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000791911593 1278457930 /nfs/dbraw/zinc/45/79/30/1278457930.db2.gz KZHOTDWPHHSVIE-UHFFFAOYSA-N 1 0 330.768 2.512 20 5 EFBDRO CC(C)[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000741014052 1269231853 /nfs/dbraw/zinc/23/18/53/1269231853.db2.gz ILNZIBIHLMPNHB-MRXNPFEDSA-N 1 0 336.388 2.637 20 5 EFBDRO C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741017563 1269249674 /nfs/dbraw/zinc/24/96/74/1269249674.db2.gz CPOCFNYXRLIEGX-MGPQQGTHSA-N 1 0 336.388 2.778 20 5 EFBDRO C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017561 1269249872 /nfs/dbraw/zinc/24/98/72/1269249872.db2.gz CPOCFNYXRLIEGX-HZSPNIEDSA-N 1 0 336.388 2.778 20 5 EFBDRO C[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000741028799 1269262190 /nfs/dbraw/zinc/26/21/90/1269262190.db2.gz JALIJWMMMIJQRD-AWEZNQCLSA-N 1 0 336.388 2.781 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086057458 1269717414 /nfs/dbraw/zinc/71/74/14/1269717414.db2.gz OCJAJHJFWBKOGZ-OTVXOJSOSA-N 1 0 342.399 2.530 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000742159126 1269921593 /nfs/dbraw/zinc/92/15/93/1269921593.db2.gz MVQPSMQEOHOPKB-UHFFFAOYSA-N 1 0 330.388 2.795 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000742380461 1270013984 /nfs/dbraw/zinc/01/39/84/1270013984.db2.gz MOYBRUXDGAAOJV-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000742399907 1270014819 /nfs/dbraw/zinc/01/48/19/1270014819.db2.gz YIOFKHKBJLPQBP-CYBMUJFWSA-N 1 0 348.403 2.518 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CC2)C1 ZINC001086192523 1270422715 /nfs/dbraw/zinc/42/27/15/1270422715.db2.gz ZGUIFQXFJMWTKF-FZNQNYSPSA-N 1 0 343.427 2.769 20 5 EFBDRO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743263861 1270496341 /nfs/dbraw/zinc/49/63/41/1270496341.db2.gz KNOMYTJDAMHNJK-CWRNSKLLSA-N 1 0 338.452 2.594 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000843511937 1278586521 /nfs/dbraw/zinc/58/65/21/1278586521.db2.gz SQWBRDDVSXYNBL-UHFFFAOYSA-N 1 0 325.434 2.956 20 5 EFBDRO COc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cnc1[N+](=O)[O-] ZINC001171092582 1278594224 /nfs/dbraw/zinc/59/42/24/1278594224.db2.gz AQXVLXSFXPIXST-NSHDSACASA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000843838899 1278623038 /nfs/dbraw/zinc/62/30/38/1278623038.db2.gz GXSMQQXHZPRJQZ-AWEZNQCLSA-N 1 0 349.406 2.846 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000843842415 1278624166 /nfs/dbraw/zinc/62/41/66/1278624166.db2.gz RDDWATKSHTULTM-GFCCVEGCSA-N 1 0 337.395 2.845 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000843883670 1278633888 /nfs/dbraw/zinc/63/38/88/1278633888.db2.gz JEDXRPVTKPHSAV-YPMHNXCESA-N 1 0 335.379 2.741 20 5 EFBDRO CCOC(=O)CC[N@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000745438013 1271475755 /nfs/dbraw/zinc/47/57/55/1271475755.db2.gz OTDVCZATHCIYSI-UHFFFAOYSA-N 1 0 346.387 2.567 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001086454015 1271551123 /nfs/dbraw/zinc/55/11/23/1271551123.db2.gz NSNFSWSJMUOIGZ-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(CC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034576536 1272320625 /nfs/dbraw/zinc/32/06/25/1272320625.db2.gz NKXPAFRUBMGTQT-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001034577583 1272323351 /nfs/dbraw/zinc/32/33/51/1272323351.db2.gz OMQRQWCZEWBNMT-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC001034591760 1272339724 /nfs/dbraw/zinc/33/97/24/1272339724.db2.gz JGRYWXPDKDLTJV-SHTZXODSSA-N 1 0 342.399 2.754 20 5 EFBDRO CN(CC(F)F)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000746483736 1272410427 /nfs/dbraw/zinc/41/04/27/1272410427.db2.gz ZDICWONNGWBORY-UHFFFAOYSA-N 1 0 343.374 2.635 20 5 EFBDRO [NH3+][C@@H]1CCc2nn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])cc2C1 ZINC001168815861 1272420882 /nfs/dbraw/zinc/42/08/82/1272420882.db2.gz LBCYWOMDTCMVDX-SNVBAGLBSA-N 1 0 326.278 2.615 20 5 EFBDRO CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977397 1272547399 /nfs/dbraw/zinc/54/73/99/1272547399.db2.gz BEUKQYGPSCDYKU-XHSDSOJGSA-N 1 0 327.469 2.598 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168977305 1272548230 /nfs/dbraw/zinc/54/82/30/1272548230.db2.gz JGERTBAKHWDSSI-UGFHNGPFSA-N 1 0 340.807 2.979 20 5 EFBDRO C[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001168956951 1272555292 /nfs/dbraw/zinc/55/52/92/1272555292.db2.gz CYWJTJIKVFWSQN-APIJFGDWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168956958 1272555492 /nfs/dbraw/zinc/55/54/92/1272555492.db2.gz CZXUJMRHWFOHCC-SOUVJXGZSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC001168961242 1272556319 /nfs/dbraw/zinc/55/63/19/1272556319.db2.gz IGTQEEOGTZAXOX-UHIISALHSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964474 1272557947 /nfs/dbraw/zinc/55/79/47/1272557947.db2.gz TZBAIHYHPROLAG-APIJFGDWSA-N 1 0 341.452 2.857 20 5 EFBDRO O=C1CCC2(CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001168965080 1272558082 /nfs/dbraw/zinc/55/80/82/1272558082.db2.gz XULRJXWUQUOGOV-XNGIKWSVSA-N 1 0 349.475 2.735 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964780 1272558089 /nfs/dbraw/zinc/55/80/89/1272558089.db2.gz WCGVYVRMQOBCNP-ZIAGYGMSSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001168966814 1272558957 /nfs/dbraw/zinc/55/89/57/1272558957.db2.gz LHASTIKBFJAUEK-QAPCUYQASA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1ccccc1-n1cccn1)C[NH2+]C2 ZINC001168966754 1272559327 /nfs/dbraw/zinc/55/93/27/1272559327.db2.gz LJERYCUCXRYYMY-UHFFFAOYSA-N 1 0 335.367 2.996 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966490 1272559514 /nfs/dbraw/zinc/55/95/14/1272559514.db2.gz INFJKDWVTPPEBH-KBUPBQIOSA-N 1 0 341.452 2.857 20 5 EFBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccc2ccccc2c1 ZINC001168991409 1272567681 /nfs/dbraw/zinc/56/76/81/1272567681.db2.gz GSBUTGZCKXYYJT-XJKSGUPXSA-N 1 0 327.384 2.813 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991569 1272567691 /nfs/dbraw/zinc/56/76/91/1272567691.db2.gz HPMFHBGVDVMWEP-WBVHZDCISA-N 1 0 348.443 2.778 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2F)C1 ZINC001168992495 1272570329 /nfs/dbraw/zinc/57/03/29/1272570329.db2.gz KCOLSBGFNAPFPU-HIFRSBDPSA-N 1 0 332.379 2.606 20 5 EFBDRO [NH3+]Cc1cc(Br)ccc1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997133 1272572866 /nfs/dbraw/zinc/57/28/66/1272572866.db2.gz BSJZPUGQQZXYFS-BXKDBHETSA-N 1 0 328.210 2.765 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168997132 1272573315 /nfs/dbraw/zinc/57/33/15/1272573315.db2.gz BQVJSKXETJSKPZ-YLQAJVPDSA-N 1 0 332.400 2.886 20 5 EFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997951 1272574580 /nfs/dbraw/zinc/57/45/80/1272574580.db2.gz GTEVYEVTTAHJIN-CVEARBPZSA-N 1 0 331.416 2.739 20 5 EFBDRO COc1ccc(CC2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998549 1272574871 /nfs/dbraw/zinc/57/48/71/1272574871.db2.gz OLWOUTFIJNCHBT-IRXDYDNUSA-N 1 0 348.443 2.822 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168998437 1272575157 /nfs/dbraw/zinc/57/51/57/1272575157.db2.gz NAGNCQGAVWEATM-LEUOFYLZSA-N 1 0 345.443 2.763 20 5 EFBDRO COc1ccccc1C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998538 1272575333 /nfs/dbraw/zinc/57/53/33/1272575333.db2.gz OJPDGBVQXOUZPY-LSDHHAIUSA-N 1 0 334.416 2.736 20 5 EFBDRO COc1ccccc1C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998535 1272575574 /nfs/dbraw/zinc/57/55/74/1272575574.db2.gz OJPDGBVQXOUZPY-CABCVRRESA-N 1 0 334.416 2.736 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC001169000353 1272576541 /nfs/dbraw/zinc/57/65/41/1272576541.db2.gz XQJIKYGYLQKGJK-NVXWUHKLSA-N 1 0 336.407 2.952 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2COc3ccc(Br)cc32)C1 ZINC001169004973 1272578126 /nfs/dbraw/zinc/57/81/26/1272578126.db2.gz SYTLTLWYNRVFMW-GAFUQQFSSA-N 1 0 341.205 2.918 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001169005320 1272579582 /nfs/dbraw/zinc/57/95/82/1272579582.db2.gz ALLCHVCWCNOYFF-UONOGXRCSA-N 1 0 326.437 2.924 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007250 1272580248 /nfs/dbraw/zinc/58/02/48/1272580248.db2.gz MCABJKKVZARYJR-VBQJREDUSA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001169005880 1272581145 /nfs/dbraw/zinc/58/11/45/1272581145.db2.gz VIMRZVUCMDYJJS-TUVASFSCSA-N 1 0 341.452 2.667 20 5 EFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010111 1272583810 /nfs/dbraw/zinc/58/38/10/1272583810.db2.gz AZKGLYCUWGIXLN-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169011592 1272584909 /nfs/dbraw/zinc/58/49/09/1272584909.db2.gz LHZMCKLXJMWOJA-LLLHUVSDSA-N 1 0 332.400 2.668 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013398 1272584929 /nfs/dbraw/zinc/58/49/29/1272584929.db2.gz UUQXQNFANYIHBR-KKUMJFAQSA-N 1 0 341.452 2.621 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013400 1272585057 /nfs/dbraw/zinc/58/50/57/1272585057.db2.gz UUQXQNFANYIHBR-SOUVJXGZSA-N 1 0 341.452 2.621 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014021 1272585080 /nfs/dbraw/zinc/58/50/80/1272585080.db2.gz XYBOIXNFJIWCFU-QLFBSQMISA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169014364 1272585318 /nfs/dbraw/zinc/58/53/18/1272585318.db2.gz YTBJELDEZZMYRN-CPUCHLNUSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168986710 1272587381 /nfs/dbraw/zinc/58/73/81/1272587381.db2.gz YQQIEZMAMVRJGW-QLFBSQMISA-N 1 0 343.468 2.961 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC2CCOCC2)C1 ZINC001168987728 1272588530 /nfs/dbraw/zinc/58/85/30/1272588530.db2.gz JUQZOQRQETXSGJ-ZBFHGGJFSA-N 1 0 334.416 2.779 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168988408 1272588601 /nfs/dbraw/zinc/58/86/01/1272588601.db2.gz RXSMBSFNLPRRJE-MFKMUULPSA-N 1 0 326.780 2.662 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC001168988159 1272589234 /nfs/dbraw/zinc/58/92/34/1272589234.db2.gz OOYFHHOMIOIYAG-KOLCDFICSA-N 1 0 329.194 2.690 20 5 EFBDRO Cc1ncc(Br)cc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988294 1272589292 /nfs/dbraw/zinc/58/92/92/1272589292.db2.gz QMYHNJQVTCSNIL-GWCFXTLKSA-N 1 0 328.210 2.688 20 5 EFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987520 1272589360 /nfs/dbraw/zinc/58/93/60/1272589360.db2.gz JIMOMBRMYXSMKH-XPABHHOTSA-N 1 0 339.436 2.562 20 5 EFBDRO O=C1Nc2c(cccc2F)C12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169030398 1272595079 /nfs/dbraw/zinc/59/50/79/1272595079.db2.gz ZPLYZVNWQJSJMO-STQMWFEESA-N 1 0 347.390 2.557 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1OC ZINC001169034244 1272596935 /nfs/dbraw/zinc/59/69/35/1272596935.db2.gz GHYJJYVZXZSRMR-JSGCOSHPSA-N 1 0 338.404 2.590 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3nn(-c4ccccc4)cc3C2)C1 ZINC001169036728 1272600517 /nfs/dbraw/zinc/60/05/17/1272600517.db2.gz HFXXTGYBQDCIIX-YOEHRIQHSA-N 1 0 326.400 2.676 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169036460 1272601744 /nfs/dbraw/zinc/60/17/44/1272601744.db2.gz OLWSKCASRLIRTP-ZIAGYGMSSA-N 1 0 339.436 2.517 20 5 EFBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169035892 1272602213 /nfs/dbraw/zinc/60/22/13/1272602213.db2.gz MDFYRLUYAJMKMX-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037528 1272602939 /nfs/dbraw/zinc/60/29/39/1272602939.db2.gz SBTGRBMTJJPTCE-KFWWJZLASA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038898 1272604929 /nfs/dbraw/zinc/60/49/29/1272604929.db2.gz LEKFWOCEMSMLEB-CABCVRRESA-N 1 0 326.437 2.876 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038306 1272605612 /nfs/dbraw/zinc/60/56/12/1272605612.db2.gz XXJKVRXALDKRGT-JSGCOSHPSA-N 1 0 325.359 2.532 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001169017645 1272616368 /nfs/dbraw/zinc/61/63/68/1272616368.db2.gz AYBNCONECCRKNL-MXSMSXNCSA-N 1 0 333.432 2.682 20 5 EFBDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018510 1272618038 /nfs/dbraw/zinc/61/80/38/1272618038.db2.gz CVKROCBRDSORCF-VBQJREDUSA-N 1 0 349.456 2.622 20 5 EFBDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1c1ccccc1 ZINC001169018852 1272618210 /nfs/dbraw/zinc/61/82/10/1272618210.db2.gz CROANHVQZGXBOB-BZZMCLGOSA-N 1 0 343.427 2.702 20 5 EFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccsc1 ZINC001169019217 1272619102 /nfs/dbraw/zinc/61/91/02/1272619102.db2.gz FSUYLAYFTBJDBC-KEYYUXOJSA-N 1 0 349.456 2.622 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C3(c4ccccc4)CC3)CC2)C1 ZINC001169045849 1272623327 /nfs/dbraw/zinc/62/33/27/1272623327.db2.gz KCNFKWBHXXPMGP-WMZOPIPTSA-N 1 0 329.444 2.739 20 5 EFBDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169026466 1272623935 /nfs/dbraw/zinc/62/39/35/1272623935.db2.gz XHAHCIDGSPTRQQ-DUQPFJRNSA-N 1 0 340.464 2.726 20 5 EFBDRO CCOC(=O)C1(C(C)C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046725 1272625052 /nfs/dbraw/zinc/62/50/52/1272625052.db2.gz MHHGOLLADNKOEQ-HUUCEWRRSA-N 1 0 326.437 2.733 20 5 EFBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CCCCC1 ZINC001169046689 1272625475 /nfs/dbraw/zinc/62/54/75/1272625475.db2.gz LUTYLQZJHKSTLB-WMLDXEAASA-N 1 0 337.464 2.593 20 5 EFBDRO C[C@H]1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169047879 1272626538 /nfs/dbraw/zinc/62/65/38/1272626538.db2.gz SEDOFOLAONWQEW-XQLPTFJDSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001169048310 1272627293 /nfs/dbraw/zinc/62/72/93/1272627293.db2.gz UPAAHNQMLVWDOZ-PBHICJAKSA-N 1 0 328.416 2.669 20 5 EFBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001169195080 1272733518 /nfs/dbraw/zinc/73/35/18/1272733518.db2.gz SUIUQHXVLXAMEP-UHFFFAOYSA-N 1 0 344.762 2.713 20 5 EFBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3nsnc3c1[N+](=O)[O-])CCC2 ZINC001169590271 1273023704 /nfs/dbraw/zinc/02/37/04/1273023704.db2.gz CZZHZCROPPBKGC-UHFFFAOYSA-N 1 0 342.384 2.538 20 5 EFBDRO Cc1c(N2CCCc3ccc(C[NH3+])nc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169592334 1273026016 /nfs/dbraw/zinc/02/60/16/1273026016.db2.gz NNOVEUVBXRLGMF-UHFFFAOYSA-N 1 0 343.343 2.749 20 5 EFBDRO Cc1nc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c(C)c1Br ZINC001169725312 1273105129 /nfs/dbraw/zinc/10/51/29/1273105129.db2.gz CWSFDUCFGPKYBQ-UHFFFAOYSA-N 1 0 325.166 2.619 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169710605 1273113143 /nfs/dbraw/zinc/11/31/43/1273113143.db2.gz OJMRFPLQQLHENG-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001156385462 1273187394 /nfs/dbraw/zinc/18/73/94/1273187394.db2.gz LZLDGDPONCKRPG-AMIZOPFISA-N 1 0 331.203 2.685 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804349179 1273412904 /nfs/dbraw/zinc/41/29/04/1273412904.db2.gz JZIKFXJLPMUJPI-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO O=C(C1CC1)N1CCC2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035149746 1273649844 /nfs/dbraw/zinc/64/98/44/1273649844.db2.gz SYYQFQJQPCPLAG-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2c(o1)CCCC2 ZINC001129186486 1274164500 /nfs/dbraw/zinc/16/45/00/1274164500.db2.gz GBSFNGAWTZCKII-UHFFFAOYSA-N 1 0 349.412 2.648 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH+]1CCCC1 ZINC001109465882 1274310290 /nfs/dbraw/zinc/31/02/90/1274310290.db2.gz YNSGNPPDRSDZAJ-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCCC[NH+](C)C ZINC001109492538 1274347081 /nfs/dbraw/zinc/34/70/81/1274347081.db2.gz FEDMEHHHQQECPQ-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO Cc1ccc(NCCCN(C)C(=O)C2(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001109605217 1274472400 /nfs/dbraw/zinc/47/24/00/1274472400.db2.gz SGAWEODKBFRLEH-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@]1(C)CCC[NH2+]C1 ZINC001156956089 1274866195 /nfs/dbraw/zinc/86/61/95/1274866195.db2.gz MHDFDOXFDJOPCM-LBPRGKRZSA-N 1 0 334.754 2.766 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000785808008 1275193713 /nfs/dbraw/zinc/19/37/13/1275193713.db2.gz WMKCNYUQFCYMQH-NEPJUHHUSA-N 1 0 325.796 2.832 20 5 EFBDRO Cc1ccc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785856205 1275216226 /nfs/dbraw/zinc/21/62/26/1275216226.db2.gz IJAROLRXKPYUGR-UHFFFAOYSA-N 1 0 330.388 2.816 20 5 EFBDRO O=C(CC1(C(F)(F)F)CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129234952 1275288353 /nfs/dbraw/zinc/28/83/53/1275288353.db2.gz KXFSUDZNUJMCBQ-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)CO1 ZINC000844389953 1278942727 /nfs/dbraw/zinc/94/27/27/1278942727.db2.gz BJSZAGDTLSICGG-YPMHNXCESA-N 1 0 339.367 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000786832880 1275537763 /nfs/dbraw/zinc/53/77/63/1275537763.db2.gz SNJCZYJRKIRPIZ-RDJZCZTQSA-N 1 0 328.368 2.612 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1ncccn1 ZINC000786816701 1275551629 /nfs/dbraw/zinc/55/16/29/1275551629.db2.gz RVZYWFJUTOUGRG-SDNWHVSQSA-N 1 0 327.388 2.880 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000786820352 1275553012 /nfs/dbraw/zinc/55/30/12/1275553012.db2.gz HLQIXZGANZNFTM-ZGUWOUCSSA-N 1 0 348.399 2.510 20 5 EFBDRO COc1ccc(C[C@H](C)N(C)c2nc(C[NH3+])ccc2C)c([N+](=O)[O-])c1 ZINC001170294600 1278978440 /nfs/dbraw/zinc/97/84/40/1278978440.db2.gz BSGVJKFNFYGIDY-ZDUSSCGKSA-N 1 0 344.415 2.833 20 5 EFBDRO COc1ccc(C[C@@H](C)N(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170298276 1278981716 /nfs/dbraw/zinc/98/17/16/1278981716.db2.gz IAJMDMOPDYHCNZ-OAHLLOKOSA-N 1 0 343.427 2.995 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000787811960 1275924327 /nfs/dbraw/zinc/92/43/27/1275924327.db2.gz NLUUHBIXDDLANE-JTQLQIEISA-N 1 0 326.784 2.664 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170305432 1278991892 /nfs/dbraw/zinc/99/18/92/1278991892.db2.gz KNRSVAAMKHYUEI-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO Cc1cc(Cl)c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170279707 1278994926 /nfs/dbraw/zinc/99/49/26/1278994926.db2.gz IVHCDQNUEGHGLZ-NFAWXSAZSA-N 1 0 343.811 2.693 20 5 EFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788113233 1276062576 /nfs/dbraw/zinc/06/25/76/1276062576.db2.gz ALAYRBOTOLFRFZ-YPMHNXCESA-N 1 0 329.356 2.860 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788113230 1276063053 /nfs/dbraw/zinc/06/30/53/1276063053.db2.gz ALAYRBOTOLFRFZ-WCQYABFASA-N 1 0 329.356 2.860 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170311011 1279007052 /nfs/dbraw/zinc/00/70/52/1279007052.db2.gz YJQGNYPTPHLMCH-VOIZVOFFSA-N 1 0 348.321 2.580 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(CCF)CC2)c([N+](=O)[O-])c1 ZINC001170312225 1279008186 /nfs/dbraw/zinc/00/81/86/1279008186.db2.gz FDULHSGPIBMWDE-CYBMUJFWSA-N 1 0 339.411 2.558 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506009 1276204719 /nfs/dbraw/zinc/20/47/19/1276204719.db2.gz IYWCHFYIUXWVAX-JTQLQIEISA-N 1 0 329.360 2.518 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317705 1279011548 /nfs/dbraw/zinc/01/15/48/1279011548.db2.gz JRFFLKPJJPCFLH-ZBFHGGJFSA-N 1 0 335.448 2.854 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170325872 1279018053 /nfs/dbraw/zinc/01/80/53/1279018053.db2.gz BDCBLUQTFFEDDM-DAXOMENPSA-N 1 0 349.431 2.571 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2COc3cnccc32)c([N+](=O)[O-])c1 ZINC001170326426 1279018633 /nfs/dbraw/zinc/01/86/33/1279018633.db2.gz JMWROIHCPORCKD-OCCSQVGLSA-N 1 0 343.383 2.695 20 5 EFBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000788801723 1276316955 /nfs/dbraw/zinc/31/69/55/1276316955.db2.gz ZBHOFUDYNVXQEF-GHMZBOCLSA-N 1 0 338.408 2.741 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788780081 1276322923 /nfs/dbraw/zinc/32/29/23/1276322923.db2.gz AZYBUJSVVPJPHD-QWRGUYRKSA-N 1 0 338.408 2.741 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170329314 1279020022 /nfs/dbraw/zinc/02/00/22/1279020022.db2.gz OIBXITPVYVECCR-AWEZNQCLSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3cnccc3C2)c([N+](=O)[O-])c1 ZINC001170329855 1279020579 /nfs/dbraw/zinc/02/05/79/1279020579.db2.gz VZBUAXMGZHPKGE-ZDUSSCGKSA-N 1 0 327.384 2.988 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817975637 1276415856 /nfs/dbraw/zinc/41/58/56/1276415856.db2.gz XEYHNUYUXRHFKV-YVEFUNNKSA-N 1 0 326.400 2.715 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017648 1276433620 /nfs/dbraw/zinc/43/36/20/1276433620.db2.gz MCGWBUVJHHMQKX-SFHVURJKSA-N 1 0 331.416 2.860 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC2(F)CCOCC2)c([N+](=O)[O-])c1 ZINC001170309656 1279032794 /nfs/dbraw/zinc/03/27/94/1279032794.db2.gz RBWMYUDHMZKQKW-LBPRGKRZSA-N 1 0 326.368 2.643 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000749316160 1276450662 /nfs/dbraw/zinc/45/06/62/1276450662.db2.gz KXPUEWBIIUUUIA-ZDUSSCGKSA-N 1 0 341.358 2.928 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355058 1279034020 /nfs/dbraw/zinc/03/40/20/1279034020.db2.gz VMDVAMMFUCNQCA-HOCLYGCPSA-N 1 0 335.448 2.949 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355866 1279036897 /nfs/dbraw/zinc/03/68/97/1279036897.db2.gz RROIUIGHFWPIDP-JGGQBBKZSA-N 1 0 332.400 2.835 20 5 EFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000818529796 1276526248 /nfs/dbraw/zinc/52/62/48/1276526248.db2.gz RRLRCYYLPYOUAB-UHFFFAOYSA-N 1 0 343.786 2.658 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818536352 1276529906 /nfs/dbraw/zinc/52/99/06/1276529906.db2.gz USQGKGXAIAWMHP-UHFFFAOYSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1c(CC(=O)N2CCCc3cc(C[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC000818553924 1276533064 /nfs/dbraw/zinc/53/30/64/1276533064.db2.gz WYFBPQQFCYJWSV-UHFFFAOYSA-N 1 0 339.395 2.884 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818582432 1276536588 /nfs/dbraw/zinc/53/65/88/1276536588.db2.gz QHGHQYCUEPNOMS-CQSZACIVSA-N 1 0 348.447 2.559 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818591473 1276537891 /nfs/dbraw/zinc/53/78/91/1276537891.db2.gz MEXPJUFRYHSKPE-LLVKDONJSA-N 1 0 343.786 2.660 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000818596075 1276544644 /nfs/dbraw/zinc/54/46/44/1276544644.db2.gz WVSCUPUKZAHFPW-NSHDSACASA-N 1 0 343.786 2.578 20 5 EFBDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818962782 1276551621 /nfs/dbraw/zinc/55/16/21/1276551621.db2.gz YTZRIDPNWGAEOA-QGZVFWFLSA-N 1 0 344.415 2.659 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2cnc3ccccc32)c1 ZINC000818941430 1276554233 /nfs/dbraw/zinc/55/42/33/1276554233.db2.gz JNDGOXCQRGMTRF-SFHVURJKSA-N 1 0 340.383 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCOc2ccccc2F)cc1 ZINC000818944522 1276555170 /nfs/dbraw/zinc/55/51/70/1276555170.db2.gz LEDNKIVZXYYSEZ-MRXNPFEDSA-N 1 0 334.347 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000818953458 1276557196 /nfs/dbraw/zinc/55/71/96/1276557196.db2.gz HLFUYZVPNWKPFA-HNAYVOBHSA-N 1 0 341.411 2.744 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000818956395 1276558932 /nfs/dbraw/zinc/55/89/32/1276558932.db2.gz LAWXEDJKVGBDGV-KDOFPFPSSA-N 1 0 329.400 2.743 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000818981781 1276562818 /nfs/dbraw/zinc/56/28/18/1276562818.db2.gz YYMLIZAEZNJWQW-RBUKOAKNSA-N 1 0 343.427 2.829 20 5 EFBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984121 1276563538 /nfs/dbraw/zinc/56/35/38/1276563538.db2.gz XNPYMOOTXGQIHM-AUUYWEPGSA-N 1 0 341.411 2.669 20 5 EFBDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818989772 1276564128 /nfs/dbraw/zinc/56/41/28/1276564128.db2.gz PODBYYYFDVWAIW-QGZVFWFLSA-N 1 0 342.395 2.958 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000818968708 1276572255 /nfs/dbraw/zinc/57/22/55/1276572255.db2.gz FONGCAMFKJFUNX-ZWKOTPCHSA-N 1 0 347.390 2.660 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974077 1276574647 /nfs/dbraw/zinc/57/46/47/1276574647.db2.gz CXXZLMBCXAOBEN-FSZRXZPDSA-N 1 0 335.448 2.584 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000819045700 1276580054 /nfs/dbraw/zinc/58/00/54/1276580054.db2.gz GXKHCDGVAXOGCN-OAHLLOKOSA-N 1 0 338.310 2.575 20 5 EFBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104693 1276608897 /nfs/dbraw/zinc/60/88/97/1276608897.db2.gz RYGZGJCLSFDIPN-SJORKVTESA-N 1 0 344.367 2.750 20 5 EFBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819103901 1276609488 /nfs/dbraw/zinc/60/94/88/1276609488.db2.gz MIUUMNAOIUJEAO-SJORKVTESA-N 1 0 344.367 2.750 20 5 EFBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819103898 1276609969 /nfs/dbraw/zinc/60/99/69/1276609969.db2.gz MIUUMNAOIUJEAO-IAGOWNOFSA-N 1 0 344.367 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000819072253 1276620034 /nfs/dbraw/zinc/62/00/34/1276620034.db2.gz BPWMFVXLYYYZPT-LPHOPBHVSA-N 1 0 341.411 2.887 20 5 EFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819153417 1276631961 /nfs/dbraw/zinc/63/19/61/1276631961.db2.gz CDKVUABJEZDASY-DLBZAZTESA-N 1 0 328.368 2.914 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819111240 1276635030 /nfs/dbraw/zinc/63/50/30/1276635030.db2.gz MYZCAARDXIKGDG-SJCJKPOMSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819111244 1276635355 /nfs/dbraw/zinc/63/53/55/1276635355.db2.gz MYZCAARDXIKGDG-YVEFUNNKSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819113921 1276635689 /nfs/dbraw/zinc/63/56/89/1276635689.db2.gz WTBDGDZYZBERGC-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819117571 1276637753 /nfs/dbraw/zinc/63/77/53/1276637753.db2.gz JVSVEQWGGVRCPY-SCLBCKFNSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116101 1276637841 /nfs/dbraw/zinc/63/78/41/1276637841.db2.gz NLVMRNAJLOAEKS-BBRMVZONSA-N 1 0 346.383 2.694 20 5 EFBDRO CC(C)(C)Oc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819201504 1276675206 /nfs/dbraw/zinc/67/52/06/1276675206.db2.gz QMRRBYTZRXWDMX-INIZCTEOSA-N 1 0 345.399 2.990 20 5 EFBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819208327 1276689463 /nfs/dbraw/zinc/68/94/63/1276689463.db2.gz BDYNXZDSKMQQCM-BEFAXECRSA-N 1 0 343.427 2.738 20 5 EFBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819214301 1276692725 /nfs/dbraw/zinc/69/27/25/1276692725.db2.gz SKVPWBLEAUZMOI-INIZCTEOSA-N 1 0 345.399 2.990 20 5 EFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819221077 1276695660 /nfs/dbraw/zinc/69/56/60/1276695660.db2.gz ICBCQTBLPJOZIA-QFBILLFUSA-N 1 0 342.395 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC000819223805 1276696499 /nfs/dbraw/zinc/69/64/99/1276696499.db2.gz NIEKVIHUOBFNDU-AWEZNQCLSA-N 1 0 340.301 2.878 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC000819223806 1276697137 /nfs/dbraw/zinc/69/71/37/1276697137.db2.gz NIEKVIHUOBFNDU-CQSZACIVSA-N 1 0 340.301 2.878 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000819259058 1276713809 /nfs/dbraw/zinc/71/38/09/1276713809.db2.gz FGCQLBGMESIMHI-INIZCTEOSA-N 1 0 331.328 2.635 20 5 EFBDRO COc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819277312 1276725428 /nfs/dbraw/zinc/72/54/28/1276725428.db2.gz HHNKUEGARWPOLD-KSZLIROESA-N 1 0 328.368 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327739 1276729930 /nfs/dbraw/zinc/72/99/30/1276729930.db2.gz HBUOTRKELSTAER-KDOFPFPSSA-N 1 0 345.374 2.636 20 5 EFBDRO CO[C@@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819345977 1276735531 /nfs/dbraw/zinc/73/55/31/1276735531.db2.gz RIPVCIBIAKAUOD-ROUUACIJSA-N 1 0 330.384 2.780 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819347834 1276737184 /nfs/dbraw/zinc/73/71/84/1276737184.db2.gz ODMDFQOUPGRRLD-GWCFXTLKSA-N 1 0 349.214 2.508 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819346091 1276737940 /nfs/dbraw/zinc/73/79/40/1276737940.db2.gz CUNGSSQOVWTVMD-YPMHNXCESA-N 1 0 349.214 2.508 20 5 EFBDRO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789454548 1276738389 /nfs/dbraw/zinc/73/83/89/1276738389.db2.gz AWZKMNWDVAJHDQ-RBUKOAKNSA-N 1 0 344.411 2.818 20 5 EFBDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000789763951 1276971120 /nfs/dbraw/zinc/97/11/20/1276971120.db2.gz AXMKTCIYLABXAW-BETUJISGSA-N 1 0 341.839 2.789 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000820188774 1277065197 /nfs/dbraw/zinc/06/51/97/1277065197.db2.gz QZQPCXJCQLHNQO-OAHLLOKOSA-N 1 0 331.416 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000820818111 1277321025 /nfs/dbraw/zinc/32/10/25/1277321025.db2.gz MWGGXEBDZDXFRM-OAHLLOKOSA-N 1 0 333.432 2.919 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000820818110 1277321285 /nfs/dbraw/zinc/32/12/85/1277321285.db2.gz MWGGXEBDZDXFRM-HNNXBMFYSA-N 1 0 333.432 2.919 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000585116649 1277327326 /nfs/dbraw/zinc/32/73/26/1277327326.db2.gz DIIOJKCAYGCRJH-LJQANCHMSA-N 1 0 339.395 2.532 20 5 EFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000820874910 1277355223 /nfs/dbraw/zinc/35/52/23/1277355223.db2.gz VASLPZIQHSDXLY-DOPJRALCSA-N 1 0 343.427 2.641 20 5 EFBDRO C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000923271092 1277437162 /nfs/dbraw/zinc/43/71/62/1277437162.db2.gz KQANYOWVDOUROO-BZPMIXESSA-N 1 0 335.379 2.533 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923283958 1277459903 /nfs/dbraw/zinc/45/99/03/1277459903.db2.gz ZQXTXMIOVRILCW-NSHDSACASA-N 1 0 342.237 2.789 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)CC(C)(C)C[NH3+] ZINC000923295216 1277523351 /nfs/dbraw/zinc/52/33/51/1277523351.db2.gz XGECPOHNGQEJFU-UHFFFAOYSA-N 1 0 330.226 2.774 20 5 EFBDRO CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000821400822 1277536935 /nfs/dbraw/zinc/53/69/35/1277536935.db2.gz IENBEUIJEORPRX-SJORKVTESA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000790584175 1277661665 /nfs/dbraw/zinc/66/16/65/1277661665.db2.gz QWVRLRBWCVIHTR-JCVNQNCUSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000790784556 1277771507 /nfs/dbraw/zinc/77/15/07/1277771507.db2.gz MVOJIAXAJKFBDQ-MWLCHTKSSA-N 1 0 343.786 2.529 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347942 1279055193 /nfs/dbraw/zinc/05/51/93/1279055193.db2.gz TVFNNPWLQNEXBA-GOEBONIOSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347939 1279055407 /nfs/dbraw/zinc/05/54/07/1279055407.db2.gz TVFNNPWLQNEXBA-GDBMZVCRSA-N 1 0 333.432 2.705 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ccncc3C2)c([N+](=O)[O-])c1 ZINC001170348475 1279056114 /nfs/dbraw/zinc/05/61/14/1279056114.db2.gz XNTGOPJRBVZNGS-ZDUSSCGKSA-N 1 0 327.384 2.988 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844643571 1279162385 /nfs/dbraw/zinc/16/23/85/1279162385.db2.gz UKHXVMXIVFHXSC-GMTAPVOTSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000844643570 1279162574 /nfs/dbraw/zinc/16/25/74/1279162574.db2.gz UKHXVMXIVFHXSC-AXFHLTTASA-N 1 0 325.796 2.801 20 5 EFBDRO CS[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000845509349 1279692268 /nfs/dbraw/zinc/69/22/68/1279692268.db2.gz DRMMNCUWMGEBHS-CHWSQXEVSA-N 1 0 333.816 2.869 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000845554228 1279722207 /nfs/dbraw/zinc/72/22/07/1279722207.db2.gz GESLVLFCYOHCSD-JTQLQIEISA-N 1 0 331.775 2.646 20 5 EFBDRO CC1(C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1Oc1ccccc1 ZINC000793551571 1279741813 /nfs/dbraw/zinc/74/18/13/1279741813.db2.gz UVXHTJDVIFRLTQ-HOTGVXAUSA-N 1 0 330.388 2.627 20 5 EFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000845664594 1279774781 /nfs/dbraw/zinc/77/47/81/1279774781.db2.gz KXCWLEQSMJYTQR-LBPRGKRZSA-N 1 0 331.372 2.646 20 5 EFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000845670974 1279779971 /nfs/dbraw/zinc/77/99/71/1279779971.db2.gz XUYRTZKBOLBSHN-AWEZNQCLSA-N 1 0 335.404 2.814 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846301625 1280107190 /nfs/dbraw/zinc/10/71/90/1280107190.db2.gz XVKZRJFLTDLCJH-UHFFFAOYSA-N 1 0 326.784 2.759 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nnc2n1CCC2 ZINC000872020058 1287401972 /nfs/dbraw/zinc/40/19/72/1287401972.db2.gz CVDRXYHYDXQQDJ-JTQLQIEISA-N 1 0 333.417 2.705 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNc1cnccn1 ZINC000872042899 1287409671 /nfs/dbraw/zinc/40/96/71/1287409671.db2.gz FFDLUCFVZCUWIS-NSHDSACASA-N 1 0 333.417 2.869 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000804442671 1280223102 /nfs/dbraw/zinc/22/31/02/1280223102.db2.gz IVUAZDGNZIUIEP-YFHOEESVSA-N 1 0 331.416 2.942 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872035313 1287407848 /nfs/dbraw/zinc/40/78/48/1287407848.db2.gz LTWSQXOIKMIOAT-CHWSQXEVSA-N 1 0 339.461 2.688 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872035316 1287408004 /nfs/dbraw/zinc/40/80/04/1287408004.db2.gz LTWSQXOIKMIOAT-STQMWFEESA-N 1 0 339.461 2.688 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000804505671 1280247099 /nfs/dbraw/zinc/24/70/99/1280247099.db2.gz HIHXYPNJVKDJBY-ZDUSSCGKSA-N 1 0 334.376 2.815 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000872040593 1287409795 /nfs/dbraw/zinc/40/97/95/1287409795.db2.gz MJFQIWXOOBYQBY-QMTHXVAHSA-N 1 0 328.459 2.835 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000804532319 1280267695 /nfs/dbraw/zinc/26/76/95/1280267695.db2.gz RUYWFARVAPFXRP-INIZCTEOSA-N 1 0 349.431 2.735 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815289269 1287413007 /nfs/dbraw/zinc/41/30/07/1287413007.db2.gz XKMMSCMSTUSFGY-JKSUJKDBSA-N 1 0 340.807 2.658 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054488 1287413146 /nfs/dbraw/zinc/41/31/46/1287413146.db2.gz XGPMFIKJTRAOBS-SUHUHFCYSA-N 1 0 337.445 2.882 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054486 1287413463 /nfs/dbraw/zinc/41/34/63/1287413463.db2.gz XGPMFIKJTRAOBS-MPKXVKKWSA-N 1 0 337.445 2.882 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846665960 1280384160 /nfs/dbraw/zinc/38/41/60/1280384160.db2.gz BDEMUGIJBPIBIY-CABCVRRESA-N 1 0 337.807 2.737 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001091359292 1280429602 /nfs/dbraw/zinc/42/96/02/1280429602.db2.gz YDVZNSAKILOZGF-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079219 1287422230 /nfs/dbraw/zinc/42/22/30/1287422230.db2.gz XODZJRGXJMAOKU-LERXQTSPSA-N 1 0 326.418 2.771 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000872084614 1287423067 /nfs/dbraw/zinc/42/30/67/1287423067.db2.gz SWHXTHRZYJIBSV-VXGBXAGGSA-N 1 0 349.456 2.978 20 5 EFBDRO CCc1ccccc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130147580 1280497774 /nfs/dbraw/zinc/49/77/74/1280497774.db2.gz FXZKZFAKRXMTLN-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO CC(C)(C)CC(=O)COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000805542210 1280612996 /nfs/dbraw/zinc/61/29/96/1280612996.db2.gz JIBRIJQYFNUYAX-UHFFFAOYSA-N 1 0 345.355 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846924671 1280619829 /nfs/dbraw/zinc/61/98/29/1280619829.db2.gz ZIWYPDBWTUCZJR-GOSISDBHSA-N 1 0 325.368 2.813 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157940233 1280664579 /nfs/dbraw/zinc/66/45/79/1280664579.db2.gz GQVKOWCLKCHNEQ-UHFFFAOYSA-N 1 0 336.770 2.870 20 5 EFBDRO CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001091471157 1280760974 /nfs/dbraw/zinc/76/09/74/1280760974.db2.gz YDVZNSAKILOZGF-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CCn1c(C)cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001130963749 1281327381 /nfs/dbraw/zinc/32/73/81/1281327381.db2.gz FCNSJUJZALUGMQ-UHFFFAOYSA-N 1 0 344.415 2.553 20 5 EFBDRO CCc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001147958851 1281379781 /nfs/dbraw/zinc/37/97/81/1281379781.db2.gz XOAGEBSHUQVMRG-UHFFFAOYSA-N 1 0 331.372 2.578 20 5 EFBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001131094299 1281469216 /nfs/dbraw/zinc/46/92/16/1281469216.db2.gz LSSZCGDXYNZHLZ-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000808048942 1281520982 /nfs/dbraw/zinc/52/09/82/1281520982.db2.gz MUURMLZSAHUCRS-ZDUSSCGKSA-N 1 0 335.404 2.710 20 5 EFBDRO Cc1nc(C(C)C)oc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135014779 1287504468 /nfs/dbraw/zinc/50/44/68/1287504468.db2.gz YFWFTAFGOJCMCX-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000808230831 1281600844 /nfs/dbraw/zinc/60/08/44/1281600844.db2.gz QZHJVPDFQCCXBP-HNNXBMFYSA-N 1 0 327.388 2.933 20 5 EFBDRO Cc1nc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c(C)c1Br ZINC001171336280 1281742542 /nfs/dbraw/zinc/74/25/42/1281742542.db2.gz ZJIIFYQLJNITFA-SNVBAGLBSA-N 1 0 343.225 2.923 20 5 EFBDRO Cc1ccc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001148961468 1281822313 /nfs/dbraw/zinc/82/23/13/1281822313.db2.gz PHTUMSFMYGDJJY-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000808781801 1281897391 /nfs/dbraw/zinc/89/73/91/1281897391.db2.gz RLOWCDRBVFKNSL-UHFFFAOYSA-N 1 0 342.871 2.564 20 5 EFBDRO CC(C)(CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001131486736 1281924407 /nfs/dbraw/zinc/92/44/07/1281924407.db2.gz OTWMHKUYUDQKHR-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000825595734 1287538517 /nfs/dbraw/zinc/53/85/17/1287538517.db2.gz UQVJVEDRKBRTCG-AWEZNQCLSA-N 1 0 337.807 2.852 20 5 EFBDRO CCOCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000809728302 1282408527 /nfs/dbraw/zinc/40/85/27/1282408527.db2.gz RVFHXKZHNDKKBB-UHFFFAOYSA-N 1 0 345.399 2.933 20 5 EFBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000809734491 1282411035 /nfs/dbraw/zinc/41/10/35/1282411035.db2.gz GFAPHYHOOAJYJT-UHFFFAOYSA-N 1 0 331.420 2.591 20 5 EFBDRO [NH3+]CCN(Cc1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809735061 1282414787 /nfs/dbraw/zinc/41/47/87/1282414787.db2.gz RDJRMQLAXKBREZ-UHFFFAOYSA-N 1 0 343.383 2.721 20 5 EFBDRO [NH3+]CCN(Cc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735081 1282414977 /nfs/dbraw/zinc/41/49/77/1282414977.db2.gz WVKBDFFARCPXRY-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO [NH3+]CCN(CC1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000809735174 1282415026 /nfs/dbraw/zinc/41/50/26/1282415026.db2.gz TXDOBQDSMRDLJC-UHFFFAOYSA-N 1 0 325.368 2.836 20 5 EFBDRO [NH3+]CCN(Cc1occc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000809736308 1282426092 /nfs/dbraw/zinc/42/60/92/1282426092.db2.gz OJUGABGKUPITGE-UHFFFAOYSA-N 1 0 340.177 2.916 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1Cl ZINC000809793111 1282490726 /nfs/dbraw/zinc/49/07/26/1282490726.db2.gz RJNGDMVHIZTGST-CZUORRHYSA-N 1 0 334.759 2.832 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000809915849 1282563423 /nfs/dbraw/zinc/56/34/23/1282563423.db2.gz RYPHSJZNNJZAJR-ZJUUUORDSA-N 1 0 326.784 2.805 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914053 1282564363 /nfs/dbraw/zinc/56/43/63/1282564363.db2.gz AHFFOXUATGMCBT-UHFFFAOYSA-N 1 0 326.784 2.808 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809991960 1282721528 /nfs/dbraw/zinc/72/15/28/1282721528.db2.gz QBYHOUYVCOKMIM-QZTJIDSGSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000809992680 1282725200 /nfs/dbraw/zinc/72/52/00/1282725200.db2.gz NYEXKSCQCOKLSE-QZTJIDSGSA-N 1 0 344.411 2.978 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815556470 1287595143 /nfs/dbraw/zinc/59/51/43/1287595143.db2.gz VYDJSQCNELGWQF-LLVKDONJSA-N 1 0 328.372 2.986 20 5 EFBDRO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563802 1287597408 /nfs/dbraw/zinc/59/74/08/1287597408.db2.gz OKIJBCDEJCUOIB-CQSZACIVSA-N 1 0 328.416 2.960 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110191489 1287601533 /nfs/dbraw/zinc/60/15/33/1287601533.db2.gz VIPKLCYXXRWMOI-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569661 1287602415 /nfs/dbraw/zinc/60/24/15/1287602415.db2.gz BVAFMIJLKXFLFT-ZDUSSCGKSA-N 1 0 326.400 2.890 20 5 EFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592817 1287619637 /nfs/dbraw/zinc/61/96/37/1287619637.db2.gz TZIFZLXRMPYBLO-LLVKDONJSA-N 1 0 346.343 2.815 20 5 EFBDRO Cc1cc(F)cc(C)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132239241 1283197791 /nfs/dbraw/zinc/19/77/91/1283197791.db2.gz CAYSWJMVRLAQPQ-UHFFFAOYSA-N 1 0 345.374 2.870 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596827 1287624505 /nfs/dbraw/zinc/62/45/05/1287624505.db2.gz FMJJZCHYNIZVRD-OCCSQVGLSA-N 1 0 335.404 2.556 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171394088 1283205926 /nfs/dbraw/zinc/20/59/26/1283205926.db2.gz OGCDBVVPYBLTLZ-LBPRGKRZSA-N 1 0 329.356 2.770 20 5 EFBDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571629 1287628864 /nfs/dbraw/zinc/62/88/64/1287628864.db2.gz INRFTPBXKZZVLG-JTQLQIEISA-N 1 0 328.363 2.557 20 5 EFBDRO COc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000810840735 1283728245 /nfs/dbraw/zinc/72/82/45/1283728245.db2.gz IVQPNBJBMVVBAS-KBPBESRZSA-N 1 0 334.372 2.695 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1C1CC1 ZINC001132935585 1284462938 /nfs/dbraw/zinc/46/29/38/1284462938.db2.gz ZODSTPCHWKPDGY-UHFFFAOYSA-N 1 0 329.356 2.585 20 5 EFBDRO C[NH+](C)CCOc1ccccc1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000811783044 1284599487 /nfs/dbraw/zinc/59/94/87/1284599487.db2.gz VGTKJABZZVBLAN-UHFFFAOYSA-N 1 0 330.388 2.730 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC001133136306 1284852494 /nfs/dbraw/zinc/85/24/94/1284852494.db2.gz PQHLHSDTTWZEJK-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001133157241 1284887976 /nfs/dbraw/zinc/88/79/76/1284887976.db2.gz FXBQHJMMWQYXBG-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO COc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cnc1[N+](=O)[O-] ZINC001170683122 1285345077 /nfs/dbraw/zinc/34/50/77/1285345077.db2.gz VSTRLEKSAVSPNN-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO Cc1cc(NCCCNC(=O)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001094584414 1285415879 /nfs/dbraw/zinc/41/58/79/1285415879.db2.gz HPDRPGLCEZWPQJ-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000822569070 1289035040 /nfs/dbraw/zinc/03/50/40/1289035040.db2.gz NIJBBBFRIXWNSK-IAOVAPTHSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001171907854 1285893808 /nfs/dbraw/zinc/89/38/08/1285893808.db2.gz GFMCXFMVOANBPX-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000813423298 1285919285 /nfs/dbraw/zinc/91/92/85/1285919285.db2.gz XDAXDVXLTDKIGV-UHFFFAOYSA-N 1 0 332.187 2.726 20 5 EFBDRO CCc1oc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC001170994764 1289062219 /nfs/dbraw/zinc/06/22/19/1289062219.db2.gz LMTOMBDXPDIZEA-UHFFFAOYSA-N 1 0 345.399 2.968 20 5 EFBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnco1 ZINC001179166247 1289064328 /nfs/dbraw/zinc/06/43/28/1289064328.db2.gz HTFHAEJFVCCIOR-UHFFFAOYSA-N 1 0 346.387 2.663 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@](O)(C(F)(F)F)C1)CC2 ZINC001172904470 1286308355 /nfs/dbraw/zinc/30/83/55/1286308355.db2.gz NROFOOJEXABGOY-HIFRSBDPSA-N 1 0 344.333 2.841 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904611 1286309298 /nfs/dbraw/zinc/30/92/98/1286309298.db2.gz OOHLCVLKXJRKOE-OAHLLOKOSA-N 1 0 347.415 2.663 20 5 EFBDRO CC(=O)N(C)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920953 1286328742 /nfs/dbraw/zinc/32/87/42/1286328742.db2.gz MSYAQAWMFJBYIT-SFHVURJKSA-N 1 0 345.443 2.785 20 5 EFBDRO O=C1CCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)N1 ZINC001172912231 1286353746 /nfs/dbraw/zinc/35/37/46/1286353746.db2.gz JXFAVTASSRGMDL-MRXNPFEDSA-N 1 0 343.427 2.587 20 5 EFBDRO CSCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011598 1286383047 /nfs/dbraw/zinc/38/30/47/1286383047.db2.gz GYFFFPZMKFBWRY-UHFFFAOYSA-N 1 0 331.388 2.794 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc2[nH]ccc21 ZINC001134180787 1286424441 /nfs/dbraw/zinc/42/44/41/1286424441.db2.gz CFPWTQYAALIIRO-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nccs2)c1F ZINC001173174835 1286451238 /nfs/dbraw/zinc/45/12/38/1286451238.db2.gz DMKRWWSLSJOJAM-SECBINFHSA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2ccco2)c1F ZINC001173175519 1286451649 /nfs/dbraw/zinc/45/16/49/1286451649.db2.gz OXGOKKRGSFOAMQ-GWCFXTLKSA-N 1 0 338.335 2.590 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c1F ZINC001173177496 1286452227 /nfs/dbraw/zinc/45/22/27/1286452227.db2.gz AZMWWYUAGVYATF-TUAOUCFPSA-N 1 0 326.368 2.831 20 5 EFBDRO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176330 1286452478 /nfs/dbraw/zinc/45/24/78/1286452478.db2.gz HSZRURXJHCPKFJ-GMXVVIOVSA-N 1 0 328.384 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(C)n(C)n2)c1F ZINC001173176369 1286452598 /nfs/dbraw/zinc/45/25/98/1286452598.db2.gz GWBGUWRYNQCTRG-JTQLQIEISA-N 1 0 336.367 2.505 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncs2)c1F ZINC001173177231 1286452657 /nfs/dbraw/zinc/45/26/57/1286452657.db2.gz RWRAQFQTVIBHML-VIFPVBQESA-N 1 0 325.365 2.920 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCCCN2C)c1F ZINC001173177274 1286452759 /nfs/dbraw/zinc/45/27/59/1286452759.db2.gz SDSWAMXSPUQHNW-CHWSQXEVSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncccc2F)c1F ZINC001173176234 1286452778 /nfs/dbraw/zinc/45/27/78/1286452778.db2.gz GWKWMHFGPLUMTP-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](O)CC2)c1F ZINC001173178841 1286453554 /nfs/dbraw/zinc/45/35/54/1286453554.db2.gz BRPVHPGLYCFBFB-RYUDHWBXSA-N 1 0 326.368 2.520 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](O)CC2)c1F ZINC001173178425 1286453892 /nfs/dbraw/zinc/45/38/92/1286453892.db2.gz BRPVHPGLYCFBFB-NWDGAFQWSA-N 1 0 326.368 2.520 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](O)CC2)c1F ZINC001173178424 1286453924 /nfs/dbraw/zinc/45/39/24/1286453924.db2.gz BRPVHPGLYCFBFB-NEPJUHHUSA-N 1 0 326.368 2.520 20 5 EFBDRO CCn1cnc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173178816 1286453943 /nfs/dbraw/zinc/45/39/43/1286453943.db2.gz IOJWCAHINPBZIF-NSHDSACASA-N 1 0 336.367 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c1F ZINC001173178932 1286453977 /nfs/dbraw/zinc/45/39/77/1286453977.db2.gz CFGTUPZVDRVQRF-TYNCELHUSA-N 1 0 340.395 2.766 20 5 EFBDRO CCOC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180412 1286455125 /nfs/dbraw/zinc/45/51/25/1286455125.db2.gz VZLYEUMGMGRYRO-WDEREUQCSA-N 1 0 342.367 2.605 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2cccnc2C[NH3+])c1F ZINC001173184501 1286456088 /nfs/dbraw/zinc/45/60/88/1286456088.db2.gz QQJSDQYFFYWBIA-SNVBAGLBSA-N 1 0 334.351 2.639 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)c1F ZINC001173183143 1286456351 /nfs/dbraw/zinc/45/63/51/1286456351.db2.gz LIVRTBSCVRXMQC-AVGNSLFASA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@]3(CCCO3)C2)c1F ZINC001173183456 1286456540 /nfs/dbraw/zinc/45/65/40/1286456540.db2.gz YIEQFVDEYIPEIV-SJCJKPOMSA-N 1 0 338.379 2.928 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1F ZINC001173190594 1286457559 /nfs/dbraw/zinc/45/75/59/1286457559.db2.gz ZBIGTFTYVYCQKF-WDEREUQCSA-N 1 0 336.367 2.758 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC(C)(C)O2)c1F ZINC001173190382 1286457581 /nfs/dbraw/zinc/45/75/81/1286457581.db2.gz WTYICSZLNNNAQR-WDEREUQCSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1F ZINC001173190592 1286457770 /nfs/dbraw/zinc/45/77/70/1286457770.db2.gz ZBIGTFTYVYCQKF-MNOVXSKESA-N 1 0 336.367 2.758 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@@H](O)CC2)c1F ZINC001173190383 1286457804 /nfs/dbraw/zinc/45/78/04/1286457804.db2.gz XAAQGVRYULBVDB-SDDRHHMPSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccc2O)c1F ZINC001173190655 1286457908 /nfs/dbraw/zinc/45/79/08/1286457908.db2.gz FYUIYIRFWCLWBH-JTQLQIEISA-N 1 0 335.335 2.564 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3cccnn3)CC2)c1F ZINC001173189991 1286458142 /nfs/dbraw/zinc/45/81/42/1286458142.db2.gz SPWQMBIIKOQKDC-LLVKDONJSA-N 1 0 346.362 2.742 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@H]2CCCOC2)c1F ZINC001173193810 1286459416 /nfs/dbraw/zinc/45/94/16/1286459416.db2.gz QYBDJBKYDGAPOL-NWDGAFQWSA-N 1 0 326.368 2.784 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC001173215346 1286470239 /nfs/dbraw/zinc/47/02/39/1286470239.db2.gz VFENMKJHLNKHTR-ZDUSSCGKSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001173222840 1286475841 /nfs/dbraw/zinc/47/58/41/1286475841.db2.gz ZKXOYTDERKIRJO-CJNGLKHVSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001173225783 1286480728 /nfs/dbraw/zinc/48/07/28/1286480728.db2.gz GFQIMZZWKWSONK-AWEZNQCLSA-N 1 0 345.443 2.907 20 5 EFBDRO CCOC(=O)C1(F)CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225465 1286480767 /nfs/dbraw/zinc/48/07/67/1286480767.db2.gz CINJUXUKAOAQSJ-CYBMUJFWSA-N 1 0 338.379 2.893 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001173225578 1286480941 /nfs/dbraw/zinc/48/09/41/1286480941.db2.gz SDVSFSXQVIZJAG-HNNXBMFYSA-N 1 0 340.427 2.871 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001173225629 1286481075 /nfs/dbraw/zinc/48/10/75/1286481075.db2.gz TWRNKSQRNITGSB-ZDUSSCGKSA-N 1 0 342.399 2.894 20 5 EFBDRO CCOC(=O)C1(F)CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225466 1286481106 /nfs/dbraw/zinc/48/11/06/1286481106.db2.gz CINJUXUKAOAQSJ-ZDUSSCGKSA-N 1 0 338.379 2.893 20 5 EFBDRO COCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC001173227654 1286481782 /nfs/dbraw/zinc/48/17/82/1286481782.db2.gz RXIUTVVJPZFQKJ-HNNXBMFYSA-N 1 0 335.448 2.568 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1cccs1 ZINC001173226985 1286481986 /nfs/dbraw/zinc/48/19/86/1286481986.db2.gz FDDIFJJJEHIESK-GFCCVEGCSA-N 1 0 333.413 2.607 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227499 1286482104 /nfs/dbraw/zinc/48/21/04/1286482104.db2.gz GJZPKAYXMQZLBA-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226707 1286482142 /nfs/dbraw/zinc/48/21/42/1286482142.db2.gz KZHHBCWBKZGOQF-PBHICJAKSA-N 1 0 333.432 2.907 20 5 EFBDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226710 1286482258 /nfs/dbraw/zinc/48/22/58/1286482258.db2.gz KZHHBCWBKZGOQF-RHSMWYFYSA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001173229653 1286482762 /nfs/dbraw/zinc/48/27/62/1286482762.db2.gz OQCQVNXKMPKNAH-LIRRHRJNSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nnc(-c2ccc(C[NH3+])cc2)n1 ZINC001173231152 1286482836 /nfs/dbraw/zinc/48/28/36/1286482836.db2.gz XVXAFDFFWXYRCM-LBPRGKRZSA-N 1 0 338.371 2.511 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001173230894 1286482974 /nfs/dbraw/zinc/48/29/74/1286482974.db2.gz WAOAZNALVPZDLJ-CZUORRHYSA-N 1 0 329.400 2.673 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN1CCOCC1)C(C)(C)C ZINC001173229569 1286483162 /nfs/dbraw/zinc/48/31/62/1286483162.db2.gz NNTLZZYHSXUPOB-YJBOKZPZSA-N 1 0 349.475 2.862 20 5 EFBDRO CCOC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173232008 1286483410 /nfs/dbraw/zinc/48/34/10/1286483410.db2.gz CIGFXVROWIXXOF-ZDUSSCGKSA-N 1 0 343.383 2.887 20 5 EFBDRO CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC001173230111 1286483609 /nfs/dbraw/zinc/48/36/09/1286483609.db2.gz ZCVJLEBHLGFWFQ-HNAYVOBHSA-N 1 0 345.443 2.860 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001134246486 1286483742 /nfs/dbraw/zinc/48/37/42/1286483742.db2.gz ZFGKNTLOMYTBGP-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001173233425 1286483926 /nfs/dbraw/zinc/48/39/26/1286483926.db2.gz WNMWPPACPPWBSN-CQSZACIVSA-N 1 0 347.415 2.833 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nncn2C)CC1 ZINC001173235008 1286484006 /nfs/dbraw/zinc/48/40/06/1286484006.db2.gz VNVQAQNOAFEMTL-ZDUSSCGKSA-N 1 0 329.404 2.534 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001173234305 1286484137 /nfs/dbraw/zinc/48/41/37/1286484137.db2.gz ODXBQWUCTCOLPB-LBPRGKRZSA-N 1 0 325.368 2.559 20 5 EFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232890 1286484263 /nfs/dbraw/zinc/48/42/63/1286484263.db2.gz JAEVBWVGDNZLOL-DYWXZXKOSA-N 1 0 332.400 2.799 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001173211490 1286485491 /nfs/dbraw/zinc/48/54/91/1286485491.db2.gz SIIAYOZZQDEEOB-WFASDCNBSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001173212871 1286486463 /nfs/dbraw/zinc/48/64/63/1286486463.db2.gz CFYONBLVDWCDOT-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001173213494 1286486509 /nfs/dbraw/zinc/48/65/09/1286486509.db2.gz HWRVZCXDMOIUBS-SJKOYZFVSA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001173213496 1286486553 /nfs/dbraw/zinc/48/65/53/1286486553.db2.gz HWRVZCXDMOIUBS-YVEFUNNKSA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCc2ccccc21 ZINC001173213285 1286486653 /nfs/dbraw/zinc/48/66/53/1286486653.db2.gz HNYFLNJKTHNWAV-CQSZACIVSA-N 1 0 339.395 2.705 20 5 EFBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238360 1286496478 /nfs/dbraw/zinc/49/64/78/1286496478.db2.gz QMBWHBHPICUOOT-CXAGYDPISA-N 1 0 342.399 2.778 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173238422 1286496611 /nfs/dbraw/zinc/49/66/11/1286496611.db2.gz SBOUTSCOVJDGGX-CYBMUJFWSA-N 1 0 327.384 2.988 20 5 EFBDRO Cc1ccccc1CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134298981 1286541460 /nfs/dbraw/zinc/54/14/60/1286541460.db2.gz TYXYEENHSADFRA-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001134357224 1286590271 /nfs/dbraw/zinc/59/02/71/1286590271.db2.gz VMMRIPCCGBPARJ-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822707405 1289087547 /nfs/dbraw/zinc/08/75/47/1289087547.db2.gz VGCWIXFLIZKCEB-UHFFFAOYSA-N 1 0 327.469 2.792 20 5 EFBDRO C[NH+](C)CCCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095233090 1286719992 /nfs/dbraw/zinc/71/99/92/1286719992.db2.gz FMYYEQKDMHISBI-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000814630535 1286834618 /nfs/dbraw/zinc/83/46/18/1286834618.db2.gz SLQMYHRULPELBK-HNNXBMFYSA-N 1 0 338.795 2.808 20 5 EFBDRO Cc1cc(NCC2CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001095269984 1286845276 /nfs/dbraw/zinc/84/52/76/1286845276.db2.gz UHEKFJZYFDQXLS-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC=CCC1 ZINC001176262016 1287934123 /nfs/dbraw/zinc/93/41/23/1287934123.db2.gz QMZDJNCSCNYHFK-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO CSCc1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000816610458 1288224237 /nfs/dbraw/zinc/22/42/37/1288224237.db2.gz LDHAQNGTMGSYTA-UHFFFAOYSA-N 1 0 338.458 2.880 20 5 EFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816660931 1288233951 /nfs/dbraw/zinc/23/39/51/1288233951.db2.gz VKKGSFMLFPLGCS-KBXCAEBGSA-N 1 0 333.432 2.704 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817131890 1288432364 /nfs/dbraw/zinc/43/23/64/1288432364.db2.gz UDMLPXRYGGXXKA-JTQLQIEISA-N 1 0 341.795 2.565 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000817315499 1288538585 /nfs/dbraw/zinc/53/85/85/1288538585.db2.gz GFVBXUGHWKWCPO-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000853645738 1300210921 /nfs/dbraw/zinc/21/09/21/1300210921.db2.gz FHNHYRYAKHSUFP-JOYOIKCWSA-N 1 0 328.210 2.886 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000817373204 1288565085 /nfs/dbraw/zinc/56/50/85/1288565085.db2.gz MCOVJZZWBBSRNK-LBPRGKRZSA-N 1 0 337.811 2.581 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000817411501 1288590574 /nfs/dbraw/zinc/59/05/74/1288590574.db2.gz SMWNHZILYSXDJZ-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000817485024 1288615068 /nfs/dbraw/zinc/61/50/68/1288615068.db2.gz GMDIBXOZPGELDD-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001178463230 1288792543 /nfs/dbraw/zinc/79/25/43/1288792543.db2.gz ASBLMPONRULFLE-QZTJIDSGSA-N 1 0 347.459 2.735 20 5 EFBDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc3ccc4cccnc4c3n2)C1=O ZINC001277648226 1312675630 /nfs/dbraw/zinc/67/56/30/1312675630.db2.gz HIEFYPUKFVFILC-OAQYLSRUSA-N 1 0 346.434 2.980 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000822134704 1288889758 /nfs/dbraw/zinc/88/97/58/1288889758.db2.gz HXJQGCRVHPTXSY-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822135160 1288889922 /nfs/dbraw/zinc/88/99/22/1288889922.db2.gz MEOPFQIEEUXMIM-HOTGVXAUSA-N 1 0 331.416 2.689 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000753013765 1288892254 /nfs/dbraw/zinc/89/22/54/1288892254.db2.gz SWMKZJPCXADRJZ-UHFFFAOYSA-N 1 0 336.298 2.786 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822150806 1288893744 /nfs/dbraw/zinc/89/37/44/1288893744.db2.gz JBKYXONFORJFSC-BBWFWOEESA-N 1 0 331.416 2.639 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2CC[N@H+](C1)[C@@H]2C ZINC001170980208 1288909341 /nfs/dbraw/zinc/90/93/41/1288909341.db2.gz NLNIETPZEDOPSL-JHJVBQTASA-N 1 0 333.388 2.584 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000823257956 1289251671 /nfs/dbraw/zinc/25/16/71/1289251671.db2.gz HVOHNEMJDAAYEM-SFHVURJKSA-N 1 0 331.416 2.770 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000823416510 1289284712 /nfs/dbraw/zinc/28/47/12/1289284712.db2.gz PYDAEOWBCYRASG-UHFFFAOYSA-N 1 0 331.416 2.958 20 5 EFBDRO C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803487497 1312698591 /nfs/dbraw/zinc/69/85/91/1312698591.db2.gz HFLCZGPDJIFZOY-NXEZZACHSA-N 1 0 328.315 2.789 20 5 EFBDRO CCc1ccoc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165966618 1312712128 /nfs/dbraw/zinc/71/21/28/1312712128.db2.gz FKBGYHMORJIXRW-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824002931 1289512417 /nfs/dbraw/zinc/51/24/17/1289512417.db2.gz JCCMHBLEZZJVHI-ZDUSSCGKSA-N 1 0 349.435 2.953 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873021575 1289524291 /nfs/dbraw/zinc/52/42/91/1289524291.db2.gz LMXBOCMNIJHKKX-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000873023240 1289525647 /nfs/dbraw/zinc/52/56/47/1289525647.db2.gz WEEZYNKFDPWPFF-HNNXBMFYSA-N 1 0 348.374 2.880 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000873025857 1289527087 /nfs/dbraw/zinc/52/70/87/1289527087.db2.gz FGOIBYPLFTXEHB-UHFFFAOYSA-N 1 0 328.372 2.725 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873056370 1289542799 /nfs/dbraw/zinc/54/27/99/1289542799.db2.gz CUQAHAJUPAKDHN-UHFFFAOYSA-N 1 0 331.372 2.714 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cccc1[N+](=O)[O-] ZINC000873076121 1289555521 /nfs/dbraw/zinc/55/55/21/1289555521.db2.gz WIPSIQVDWLGBSC-UHFFFAOYSA-N 1 0 346.408 2.523 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000873094776 1289565945 /nfs/dbraw/zinc/56/59/45/1289565945.db2.gz NLZYYUWKPHTBEG-HNNXBMFYSA-N 1 0 326.400 2.975 20 5 EFBDRO CCOC(=O)c1csc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873113178 1289573631 /nfs/dbraw/zinc/57/36/31/1289573631.db2.gz STBBATGEIGOKIF-UHFFFAOYSA-N 1 0 349.412 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000873126753 1289583429 /nfs/dbraw/zinc/58/34/29/1289583429.db2.gz CIESRJKVYYEECK-UHFFFAOYSA-N 1 0 327.384 2.529 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000873129933 1289585614 /nfs/dbraw/zinc/58/56/14/1289585614.db2.gz VGTHYMFWHBYXPE-YOEHRIQHSA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000873138383 1289593207 /nfs/dbraw/zinc/59/32/07/1289593207.db2.gz GVKRCPLJVXYAOK-MRXNPFEDSA-N 1 0 333.432 2.555 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824369653 1289631589 /nfs/dbraw/zinc/63/15/89/1289631589.db2.gz XPOZKNUUBLHJBE-WNRNVDISSA-N 1 0 343.427 2.831 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000873196462 1289635570 /nfs/dbraw/zinc/63/55/70/1289635570.db2.gz SIFCGYSLNMEGPJ-SGTLLEGYSA-N 1 0 346.383 2.824 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873296456 1289710052 /nfs/dbraw/zinc/71/00/52/1289710052.db2.gz GBJUWNLYVHFYSF-LRDDRELGSA-N 1 0 326.400 2.542 20 5 EFBDRO CCCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001166077171 1312728147 /nfs/dbraw/zinc/72/81/47/1312728147.db2.gz ILXITCBTQGVVCT-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000824639100 1289735383 /nfs/dbraw/zinc/73/53/83/1289735383.db2.gz GKHLBKWTRMCHPU-LLVKDONJSA-N 1 0 341.358 2.643 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000873838367 1290077618 /nfs/dbraw/zinc/07/76/18/1290077618.db2.gz UNLUHIVHELAGHU-UHFFFAOYSA-N 1 0 340.383 2.569 20 5 EFBDRO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000091594972 1290277140 /nfs/dbraw/zinc/27/71/40/1290277140.db2.gz AXSPDMVFCNMNRB-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC1CC[NH+](C(C)C)CC1 ZINC001166615306 1312803277 /nfs/dbraw/zinc/80/32/77/1312803277.db2.gz CNPMERFLLHYWRE-UHFFFAOYSA-N 1 0 335.404 2.914 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825831190 1290731003 /nfs/dbraw/zinc/73/10/03/1290731003.db2.gz SJTGYIFCDIXGKD-JKSUJKDBSA-N 1 0 339.480 2.935 20 5 EFBDRO COC(=O)c1cc(NCC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001166622555 1312805109 /nfs/dbraw/zinc/80/51/09/1312805109.db2.gz DCIKOZXHLALDRK-UHFFFAOYSA-N 1 0 335.404 2.914 20 5 EFBDRO CCOC(=O)N1CCC(C)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877018777 1291108931 /nfs/dbraw/zinc/10/89/31/1291108931.db2.gz AFXBJDIBKLJQJO-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000093478775 1291149763 /nfs/dbraw/zinc/14/97/63/1291149763.db2.gz PNVBUSVIFSPJEV-JNIGEABNSA-N 1 0 333.432 2.649 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000877486414 1291245389 /nfs/dbraw/zinc/24/53/89/1291245389.db2.gz MHZHYMHBMKILTJ-JOQOYGCGSA-N 1 0 334.416 2.980 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000877485737 1291246215 /nfs/dbraw/zinc/24/62/15/1291246215.db2.gz FBPFBMWULCKSRP-AWEZNQCLSA-N 1 0 334.416 2.982 20 5 EFBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000795701772 1291267022 /nfs/dbraw/zinc/26/70/22/1291267022.db2.gz MJPGXGXRTKZSCH-XJKSGUPXSA-N 1 0 343.431 2.769 20 5 EFBDRO CC(C)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000877783045 1291376436 /nfs/dbraw/zinc/37/64/36/1291376436.db2.gz APIKGVHJGILAAP-UHFFFAOYSA-N 1 0 331.416 2.820 20 5 EFBDRO CONC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000877787486 1291381577 /nfs/dbraw/zinc/38/15/77/1291381577.db2.gz NDRBTJJCPXVQFK-UHFFFAOYSA-N 1 0 335.404 2.608 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000877965727 1291431479 /nfs/dbraw/zinc/43/14/79/1291431479.db2.gz NCIRXXZQNWNBFO-UHFFFAOYSA-N 1 0 346.412 2.908 20 5 EFBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001166889141 1312861153 /nfs/dbraw/zinc/86/11/53/1312861153.db2.gz NWMCRJHJXMQOLR-AWEZNQCLSA-N 1 0 343.387 2.642 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878326868 1291626093 /nfs/dbraw/zinc/62/60/93/1291626093.db2.gz BCVJRLKRVVQSPI-CHWSQXEVSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1cc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166962611 1312872743 /nfs/dbraw/zinc/87/27/43/1312872743.db2.gz YVSNMNAQEFILIT-CYBMUJFWSA-N 1 0 349.341 2.533 20 5 EFBDRO [NH3+][C@H]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1(F)F ZINC001166960101 1312872174 /nfs/dbraw/zinc/87/21/74/1312872174.db2.gz GXOCIEVYWXVHQA-LBPRGKRZSA-N 1 0 342.733 2.969 20 5 EFBDRO Cc1cc(N2CC[C@H]([NH3+])C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166962613 1312872872 /nfs/dbraw/zinc/87/28/72/1312872872.db2.gz YVSNMNAQEFILIT-ZDUSSCGKSA-N 1 0 349.341 2.533 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H]2[C@H]2CCCO2)o1 ZINC000878573815 1291721093 /nfs/dbraw/zinc/72/10/93/1291721093.db2.gz WFXYKHSYWMIXMX-HUUCEWRRSA-N 1 0 344.371 2.788 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000249760949 1291721858 /nfs/dbraw/zinc/72/18/58/1291721858.db2.gz WQJAAFSKQLDNTR-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000878625619 1291739947 /nfs/dbraw/zinc/73/99/47/1291739947.db2.gz YLUGCTQGZXKPJD-GOSISDBHSA-N 1 0 342.399 2.569 20 5 EFBDRO CN(CC[NH+]1CCCCC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878811857 1291799617 /nfs/dbraw/zinc/79/96/17/1291799617.db2.gz KPIKMAMBJAWBJS-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000826076485 1291819012 /nfs/dbraw/zinc/81/90/12/1291819012.db2.gz CJSITBSRZCAAMM-GHMZBOCLSA-N 1 0 325.796 2.769 20 5 EFBDRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001114773349 1291902366 /nfs/dbraw/zinc/90/23/66/1291902366.db2.gz JEZAXDDMRHSIDY-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114779386 1291917140 /nfs/dbraw/zinc/91/71/40/1291917140.db2.gz GVTFTSLTIYSGNS-KOMQPUFPSA-N 1 0 348.447 2.633 20 5 EFBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001114780629 1291923883 /nfs/dbraw/zinc/92/38/83/1291923883.db2.gz JSUGNTHOGDWJDD-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114798222 1292007199 /nfs/dbraw/zinc/00/71/99/1292007199.db2.gz ZSAZPUVLPUKZDC-CTYIDZIISA-N 1 0 348.447 2.632 20 5 EFBDRO CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713265 1292118948 /nfs/dbraw/zinc/11/89/48/1292118948.db2.gz VETKBSKIIQDTJT-QZTJIDSGSA-N 1 0 349.475 2.713 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cc1 ZINC000879519276 1292167700 /nfs/dbraw/zinc/16/77/00/1292167700.db2.gz RPJPJKLQIMVTDV-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879521473 1292170232 /nfs/dbraw/zinc/17/02/32/1292170232.db2.gz NMAZTNWANBTVOU-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879524901 1292171488 /nfs/dbraw/zinc/17/14/88/1292171488.db2.gz DYCWRGVBBHWJAA-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO O=C1[C@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000879530023 1292173137 /nfs/dbraw/zinc/17/31/37/1292173137.db2.gz JOUMJPQFCFLIMC-JKIFEVAISA-N 1 0 327.384 2.598 20 5 EFBDRO O=C(CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000879530671 1292174245 /nfs/dbraw/zinc/17/42/45/1292174245.db2.gz WJXGTLYUSJLMDR-BETUJISGSA-N 1 0 333.363 2.961 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000775405730 1292275126 /nfs/dbraw/zinc/27/51/26/1292275126.db2.gz DDQIFCOYQJPDAR-RBSFLKMASA-N 1 0 340.470 2.943 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000879996943 1292327653 /nfs/dbraw/zinc/32/76/53/1292327653.db2.gz VLVGOYDVCIMGBO-ROUUACIJSA-N 1 0 346.358 2.921 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234551 1292423052 /nfs/dbraw/zinc/42/30/52/1292423052.db2.gz GDCVLXXNFZYRCT-LBPRGKRZSA-N 1 0 337.351 2.574 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](CF)C1 ZINC000880295150 1292440074 /nfs/dbraw/zinc/44/00/74/1292440074.db2.gz PLRXSRVFDAJCGR-VHSXEESVSA-N 1 0 329.759 2.867 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000881810110 1293014192 /nfs/dbraw/zinc/01/41/92/1293014192.db2.gz ABYZHVQFCPXQIV-DLBZAZTESA-N 1 0 344.415 2.526 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3c(F)cc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001233694499 1312972854 /nfs/dbraw/zinc/97/28/54/1312972854.db2.gz GFZMCNSYPHBXLI-GFCCVEGCSA-N 1 0 342.342 2.895 20 5 EFBDRO Cc1occc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233740830 1312982558 /nfs/dbraw/zinc/98/25/58/1312982558.db2.gz OKGYYBFCQBTQEN-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO COCC[NH+]1CCC(Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233786109 1312992111 /nfs/dbraw/zinc/99/21/11/1312992111.db2.gz LQEYMYAGVSBMMB-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000882811653 1293333723 /nfs/dbraw/zinc/33/37/23/1293333723.db2.gz BSQRXRSPBMFEOB-CQSZACIVSA-N 1 0 329.404 2.520 20 5 EFBDRO COC(=O)c1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001233861291 1313006796 /nfs/dbraw/zinc/00/67/96/1313006796.db2.gz HCMFKGHENFPCQR-WDNDVIMCSA-N 1 0 349.387 2.559 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000883343870 1293552747 /nfs/dbraw/zinc/55/27/47/1293552747.db2.gz CQOMYOIUMIBICC-LLVKDONJSA-N 1 0 331.372 2.879 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000883455770 1293599182 /nfs/dbraw/zinc/59/91/82/1293599182.db2.gz KMJRVYKRGLXILU-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000883455699 1293599492 /nfs/dbraw/zinc/59/94/92/1293599492.db2.gz IURWIXHZISEUTK-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH3+])cc2)c1C ZINC000884020723 1293881541 /nfs/dbraw/zinc/88/15/41/1293881541.db2.gz HYIBZAZNWNMVTE-UHFFFAOYSA-N 1 0 327.384 2.643 20 5 EFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001234010701 1313037278 /nfs/dbraw/zinc/03/72/78/1313037278.db2.gz GDOJTXVTQVSKPF-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO O=C(OCCC[NH+]1CCCCC1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000800178787 1293944613 /nfs/dbraw/zinc/94/46/13/1293944613.db2.gz DTQJMLHUYIUGOP-UHFFFAOYSA-N 1 0 328.315 2.906 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc4c3ccc3cccnc34)[C@H]1CC(=O)C2 ZINC001234087348 1313055019 /nfs/dbraw/zinc/05/50/19/1313055019.db2.gz NRDFKKJRBXOEHM-FDQGKXFDSA-N 1 0 333.391 2.966 20 5 EFBDRO O=C(OCc1cccnc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000884526071 1294168764 /nfs/dbraw/zinc/16/87/64/1294168764.db2.gz KTJODCVEZBCAPF-OAHLLOKOSA-N 1 0 333.388 2.830 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC001234099960 1313057297 /nfs/dbraw/zinc/05/72/97/1313057297.db2.gz UCZOPVWMVMCOPV-UHFFFAOYSA-N 1 0 343.383 2.552 20 5 EFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967345 1294596610 /nfs/dbraw/zinc/59/66/10/1294596610.db2.gz MNISESHJEOZXQO-DZGCQCFKSA-N 1 0 334.420 2.507 20 5 EFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000886086406 1294666672 /nfs/dbraw/zinc/66/66/72/1294666672.db2.gz JLNPXLVYSOZRST-UHFFFAOYSA-N 1 0 328.416 2.990 20 5 EFBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886122454 1294713878 /nfs/dbraw/zinc/71/38/78/1294713878.db2.gz BGYPZTDFRBKVBF-UHFFFAOYSA-N 1 0 348.447 2.850 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000886212940 1294765105 /nfs/dbraw/zinc/76/51/05/1294765105.db2.gz IMFVAXDLNHCPLZ-LJQANCHMSA-N 1 0 341.411 2.807 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000886252285 1294790971 /nfs/dbraw/zinc/79/09/71/1294790971.db2.gz YZIWVUMASRGWQM-FUHWJXTLSA-N 1 0 338.411 2.696 20 5 EFBDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886315330 1294847297 /nfs/dbraw/zinc/84/72/97/1294847297.db2.gz GRQYUMVOUNGLRL-OAHLLOKOSA-N 1 0 326.400 2.869 20 5 EFBDRO C[C@](C[NH3+])(NCc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000903717795 1313111291 /nfs/dbraw/zinc/11/12/91/1313111291.db2.gz WVSAJJBWOWYRGY-CYBMUJFWSA-N 1 0 328.210 2.574 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104314723 1294924991 /nfs/dbraw/zinc/92/49/91/1294924991.db2.gz DLCJUXBRGZGIEP-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO CC(C)[NH+]1CCC(Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234358958 1313113352 /nfs/dbraw/zinc/11/33/52/1313113352.db2.gz AVYOIQLUACLMTJ-UHFFFAOYSA-N 1 0 349.431 2.683 20 5 EFBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000886422556 1294956273 /nfs/dbraw/zinc/95/62/73/1294956273.db2.gz RSNAUPQHNNONRK-QGZVFWFLSA-N 1 0 329.400 2.613 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000886439215 1294969820 /nfs/dbraw/zinc/96/98/20/1294969820.db2.gz RRCSJPALDWHZRH-MSOLQXFVSA-N 1 0 330.384 2.602 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H](CO)C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000886669666 1295098305 /nfs/dbraw/zinc/09/83/05/1295098305.db2.gz BYMKFMKCCGYMCN-JDFRZJQESA-N 1 0 334.416 2.837 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(Br)nccc2n1 ZINC001234438745 1313128558 /nfs/dbraw/zinc/12/85/58/1313128558.db2.gz WJBWFVUFRAJSQL-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000415134943 1295301412 /nfs/dbraw/zinc/30/14/12/1295301412.db2.gz IJTJHZJKRJPFKJ-HNNXBMFYSA-N 1 0 327.331 2.524 20 5 EFBDRO O=C(CC(C1CC1)C1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001152547524 1295434122 /nfs/dbraw/zinc/43/41/22/1295434122.db2.gz QKUCWOSXXJRMHI-UHFFFAOYSA-N 1 0 337.445 2.688 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903751728 1313162811 /nfs/dbraw/zinc/16/28/11/1313162811.db2.gz IMRNUSJWZWTNHJ-KRWDZBQOSA-N 1 0 345.443 2.718 20 5 EFBDRO C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000121531010 1295552160 /nfs/dbraw/zinc/55/21/60/1295552160.db2.gz UFZVGBPHHPVUMF-GUYCJALGSA-N 1 0 340.387 2.682 20 5 EFBDRO C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000121530855 1295552968 /nfs/dbraw/zinc/55/29/68/1295552968.db2.gz UFZVGBPHHPVUMF-DYVFJYSZSA-N 1 0 340.387 2.682 20 5 EFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000775997297 1295604783 /nfs/dbraw/zinc/60/47/83/1295604783.db2.gz AKYVJNJXCBJCFK-KGLIPLIRSA-N 1 0 329.853 2.726 20 5 EFBDRO COCCOc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001234628980 1313173095 /nfs/dbraw/zinc/17/30/95/1313173095.db2.gz CFCBWJHGQYEUKG-LBPRGKRZSA-N 1 0 347.273 2.948 20 5 EFBDRO C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253194259 1295819145 /nfs/dbraw/zinc/81/91/45/1295819145.db2.gz PRKXVKUWPBCPAI-ZYHUDNBSSA-N 1 0 342.237 2.774 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889837625 1295844929 /nfs/dbraw/zinc/84/49/29/1295844929.db2.gz BIVQWRQWWALKLQ-UHFFFAOYSA-N 1 0 346.431 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903780100 1313199774 /nfs/dbraw/zinc/19/97/74/1313199774.db2.gz DEFOMOYPNKPHHM-JSGCOSHPSA-N 1 0 340.221 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000776158020 1296752421 /nfs/dbraw/zinc/75/24/21/1296752421.db2.gz ROXJQOAFNSLDSE-VQHPVUNQSA-N 1 0 332.400 2.566 20 5 EFBDRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925237329 1296812416 /nfs/dbraw/zinc/81/24/16/1296812416.db2.gz JCZOLLYUXZDMGR-WOSRLPQWSA-N 1 0 334.420 2.637 20 5 EFBDRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925237331 1296813328 /nfs/dbraw/zinc/81/33/28/1296813328.db2.gz JCZOLLYUXZDMGR-XJKCOSOUSA-N 1 0 334.420 2.637 20 5 EFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000776279816 1297357101 /nfs/dbraw/zinc/35/71/01/1297357101.db2.gz ZCPZQGZKWHETEO-MOPGFXCFSA-N 1 0 349.475 2.974 20 5 EFBDRO O=C(CCCF)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001205919263 1313375661 /nfs/dbraw/zinc/37/56/61/1313375661.db2.gz LPMIXPQPGHPNFF-UHFFFAOYSA-N 1 0 343.424 2.734 20 5 EFBDRO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000778290164 1297597255 /nfs/dbraw/zinc/59/72/55/1297597255.db2.gz UOOSBKZTOIKACB-LLVKDONJSA-N 1 0 343.374 2.779 20 5 EFBDRO C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085291001 1298999283 /nfs/dbraw/zinc/99/92/83/1298999283.db2.gz OPWYTPZKNYOAPJ-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO CN(CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852155506 1299569227 /nfs/dbraw/zinc/56/92/27/1299569227.db2.gz JAMAHXKOAFYNFW-UHFFFAOYSA-N 1 0 327.356 2.690 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586513 1299634465 /nfs/dbraw/zinc/63/44/65/1299634465.db2.gz OBWJYZQFTYGXIF-SJORKVTESA-N 1 0 330.388 2.507 20 5 EFBDRO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000776588081 1299642863 /nfs/dbraw/zinc/64/28/63/1299642863.db2.gz KFJCJCSSBVBFEH-MOPGFXCFSA-N 1 0 344.411 2.992 20 5 EFBDRO Cc1nc2sccn2c1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590880 1299672730 /nfs/dbraw/zinc/67/27/30/1299672730.db2.gz JVOMRYLZDUAMIF-OAHLLOKOSA-N 1 0 346.412 2.778 20 5 EFBDRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590514 1299675790 /nfs/dbraw/zinc/67/57/90/1299675790.db2.gz HBQMFAVBIMGYSY-OALUTQOASA-N 1 0 344.411 2.901 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000776599389 1299706582 /nfs/dbraw/zinc/70/65/82/1299706582.db2.gz ZTKHMIQICBCDCA-LJQANCHMSA-N 1 0 341.411 2.978 20 5 EFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776601928 1299731453 /nfs/dbraw/zinc/73/14/53/1299731453.db2.gz NNCXOUJNBYZCSK-HOTGVXAUSA-N 1 0 330.388 2.805 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852550986 1299752890 /nfs/dbraw/zinc/75/28/90/1299752890.db2.gz NGCHGLQPEOEWEO-GOSISDBHSA-N 1 0 328.368 2.695 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000852593340 1299774977 /nfs/dbraw/zinc/77/49/77/1299774977.db2.gz FHWVELXVYOOMAX-MSOLQXFVSA-N 1 0 334.416 2.909 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852721929 1299831509 /nfs/dbraw/zinc/83/15/09/1299831509.db2.gz YLFXESGQJPLUSF-CYBMUJFWSA-N 1 0 333.388 2.881 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000853134788 1300020955 /nfs/dbraw/zinc/02/09/55/1300020955.db2.gz OJFOCBRYRSCVLO-KRWDZBQOSA-N 1 0 336.436 2.726 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C(F)(F)F ZINC000853241467 1300062456 /nfs/dbraw/zinc/06/24/56/1300062456.db2.gz KBKIKTXLEVBQCC-NWDGAFQWSA-N 1 0 345.321 2.889 20 5 EFBDRO C[N@H+](C[C@@H]1CC1(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853627418 1300199093 /nfs/dbraw/zinc/19/90/93/1300199093.db2.gz BTNCYEXNOJYHBY-ZDUSSCGKSA-N 1 0 332.404 2.772 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000853656841 1300216516 /nfs/dbraw/zinc/21/65/16/1300216516.db2.gz DCLNATOBUSUKPB-UHFFFAOYSA-N 1 0 327.812 2.578 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000853839453 1300302077 /nfs/dbraw/zinc/30/20/77/1300302077.db2.gz WBRXDSJWERXVFY-KRWDZBQOSA-N 1 0 340.427 2.930 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000853839454 1300302164 /nfs/dbraw/zinc/30/21/64/1300302164.db2.gz WBRXDSJWERXVFY-QGZVFWFLSA-N 1 0 340.427 2.930 20 5 EFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](CC3CC3)CC2)nc2ccccn21 ZINC000853985653 1300376094 /nfs/dbraw/zinc/37/60/94/1300376094.db2.gz SIZRURJINLLYTD-UHFFFAOYSA-N 1 0 329.404 2.776 20 5 EFBDRO COC(=O)NC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000853992349 1300380509 /nfs/dbraw/zinc/38/05/09/1300380509.db2.gz MNEINPJHPBCQJP-UHFFFAOYSA-N 1 0 344.371 2.776 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C[NH3+])CC(C)C)n2)c1 ZINC000854153201 1300449117 /nfs/dbraw/zinc/44/91/17/1300449117.db2.gz GPIUXNVJZWFBRT-LBPRGKRZSA-N 1 0 348.403 2.741 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854735479 1300682729 /nfs/dbraw/zinc/68/27/29/1300682729.db2.gz QELOWFLPRXKUIP-QGZVFWFLSA-N 1 0 335.379 2.600 20 5 EFBDRO C[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H]1C ZINC000245719124 1300745939 /nfs/dbraw/zinc/74/59/39/1300745939.db2.gz HDVSYVRZQBYIKB-UONOGXRCSA-N 1 0 332.404 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000776768230 1300758112 /nfs/dbraw/zinc/75/81/12/1300758112.db2.gz HEQGNNPCPMEJGE-MRXNPFEDSA-N 1 0 330.388 2.793 20 5 EFBDRO CC(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000963578130 1301085541 /nfs/dbraw/zinc/08/55/41/1301085541.db2.gz USWZALMFLRTRAJ-UHFFFAOYSA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000855900357 1301164954 /nfs/dbraw/zinc/16/49/54/1301164954.db2.gz AMXAKMKHAQGJOQ-GFCCVEGCSA-N 1 0 337.395 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+](CC3CC3)CC3CC3)n2)cc1 ZINC000115514442 1313764268 /nfs/dbraw/zinc/76/42/68/1313764268.db2.gz WVYWANHBFFNKSB-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859408864 1301457372 /nfs/dbraw/zinc/45/73/72/1301457372.db2.gz JTLRYQQEQDWGJW-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859583155 1301496288 /nfs/dbraw/zinc/49/62/88/1301496288.db2.gz BNUBWVXHGJUDOC-IBGZPJMESA-N 1 0 342.395 2.957 20 5 EFBDRO C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000246729766 1302128654 /nfs/dbraw/zinc/12/86/54/1302128654.db2.gz UFZVGBPHHPVUMF-SUMWQHHRSA-N 1 0 340.387 2.682 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001097078649 1313840785 /nfs/dbraw/zinc/84/07/85/1313840785.db2.gz VKABOTGKPLSWPW-HDJSIYSDSA-N 1 0 348.447 2.693 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000795487440 1302444615 /nfs/dbraw/zinc/44/46/15/1302444615.db2.gz XXQIOUGXDUFPSZ-UXEPBGEESA-N 1 0 348.424 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000862790805 1302460932 /nfs/dbraw/zinc/46/09/32/1302460932.db2.gz VYAVSDDLQIOHDJ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@H+](CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1)CC(C)(C)C ZINC001097103868 1313854444 /nfs/dbraw/zinc/85/44/44/1313854444.db2.gz WFFNXBAQBZNUKV-SHTZXODSSA-N 1 0 348.447 2.632 20 5 EFBDRO COCCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CC[C@@H](C)C1 ZINC000794645915 1302848326 /nfs/dbraw/zinc/84/83/26/1302848326.db2.gz QHMOKHXIEFWDEG-OLZOCXBDSA-N 1 0 349.387 2.597 20 5 EFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000864877102 1303068625 /nfs/dbraw/zinc/06/86/25/1303068625.db2.gz JNILDSDJTLDQMH-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000865344349 1303223541 /nfs/dbraw/zinc/22/35/41/1303223541.db2.gz GJDDSHNZFFAAJL-SFHVURJKSA-N 1 0 346.358 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000865345167 1303223870 /nfs/dbraw/zinc/22/38/70/1303223870.db2.gz WBUVACJVLWPLIC-GOSISDBHSA-N 1 0 346.358 2.750 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865674220 1303361204 /nfs/dbraw/zinc/36/12/04/1303361204.db2.gz IWFOLTSKRDUEFC-CYBMUJFWSA-N 1 0 338.404 2.872 20 5 EFBDRO CC(C)(CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+]1CCCC1 ZINC000865724339 1303378813 /nfs/dbraw/zinc/37/88/13/1303378813.db2.gz PSPAVWCIEKUQHB-UHFFFAOYSA-N 1 0 325.384 2.760 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000865953864 1303467544 /nfs/dbraw/zinc/46/75/44/1303467544.db2.gz CDWGXYFQIPYTMU-HNNXBMFYSA-N 1 0 345.374 2.913 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000865954357 1303467828 /nfs/dbraw/zinc/46/78/28/1303467828.db2.gz ALBQCVIHAAUYFG-UHFFFAOYSA-N 1 0 337.395 2.760 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000866227861 1303572167 /nfs/dbraw/zinc/57/21/67/1303572167.db2.gz HEYGFWVGZISLEW-GFCCVEGCSA-N 1 0 332.379 2.916 20 5 EFBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866234378 1303574650 /nfs/dbraw/zinc/57/46/50/1303574650.db2.gz YVVCSDIXJIFEQZ-CYBMUJFWSA-N 1 0 339.411 2.903 20 5 EFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242660 1303576762 /nfs/dbraw/zinc/57/67/62/1303576762.db2.gz LMQLCOJIMQDSOI-NWDGAFQWSA-N 1 0 325.384 2.559 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866244024 1303577993 /nfs/dbraw/zinc/57/79/93/1303577993.db2.gz WJYAKPZLZIAILC-LBPRGKRZSA-N 1 0 345.374 2.814 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000866250888 1303580304 /nfs/dbraw/zinc/58/03/04/1303580304.db2.gz JVEHMNPVIHMASX-MFKMUULPSA-N 1 0 349.328 2.891 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)(F)F ZINC000866264795 1303586041 /nfs/dbraw/zinc/58/60/41/1303586041.db2.gz SPOYJBCIGWKMQJ-JTQLQIEISA-N 1 0 337.317 2.749 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccc(C(N)=O)c1 ZINC000866293606 1303591808 /nfs/dbraw/zinc/59/18/08/1303591808.db2.gz VBPLDOHXQRFPAU-GFCCVEGCSA-N 1 0 345.374 2.596 20 5 EFBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298166 1303593839 /nfs/dbraw/zinc/59/38/39/1303593839.db2.gz UIYSAKGVESSQIG-BLLLJJGKSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC1CCOCC1 ZINC000866300578 1303594303 /nfs/dbraw/zinc/59/43/03/1303594303.db2.gz BXUJCKHIYVWZTK-ZDUSSCGKSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000866312253 1303599014 /nfs/dbraw/zinc/59/90/14/1303599014.db2.gz ZSTOXDQUXWONNH-XJKSGUPXSA-N 1 0 344.390 2.928 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000866312147 1303599026 /nfs/dbraw/zinc/59/90/26/1303599026.db2.gz RUFWGQBAMVATHF-DOMZBBRYSA-N 1 0 338.379 2.940 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866348677 1303613451 /nfs/dbraw/zinc/61/34/51/1303613451.db2.gz CKAMYPVFXMETDZ-NSHDSACASA-N 1 0 346.362 2.808 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866348676 1303613538 /nfs/dbraw/zinc/61/35/38/1303613538.db2.gz CKAMYPVFXMETDZ-LLVKDONJSA-N 1 0 346.362 2.808 20 5 EFBDRO COCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866366175 1303615823 /nfs/dbraw/zinc/61/58/23/1303615823.db2.gz YBLLRZKPBQFEQQ-ZDUSSCGKSA-N 1 0 340.395 2.698 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121183607 1303752724 /nfs/dbraw/zinc/75/27/24/1303752724.db2.gz RKEWTEGWISPYPE-UHFFFAOYSA-N 1 0 345.403 2.559 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867910629 1304014212 /nfs/dbraw/zinc/01/42/12/1304014212.db2.gz NGTAYDZXTWFEEJ-CQSZACIVSA-N 1 0 337.395 2.513 20 5 EFBDRO CCC(CC)(CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)SC ZINC000867928168 1304023951 /nfs/dbraw/zinc/02/39/51/1304023951.db2.gz XOKLVKNCIOWFAZ-OAHLLOKOSA-N 1 0 339.461 2.807 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000867941841 1304029571 /nfs/dbraw/zinc/02/95/71/1304029571.db2.gz KHVVIHWIWTTYQT-FUHWJXTLSA-N 1 0 343.358 2.712 20 5 EFBDRO C[C@@H](CCc1ccccc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943319 1304030926 /nfs/dbraw/zinc/03/09/26/1304030926.db2.gz RGJPUUCNDVHSQB-LIRRHRJNSA-N 1 0 341.411 2.906 20 5 EFBDRO Cc1ccc(C[C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867944829 1304032136 /nfs/dbraw/zinc/03/21/36/1304032136.db2.gz JKIVYXBJDILDPB-DIFFPNOSSA-N 1 0 347.440 2.886 20 5 EFBDRO CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945740 1304034207 /nfs/dbraw/zinc/03/42/07/1304034207.db2.gz HVZRAHJPOHPMLS-LPHOPBHVSA-N 1 0 341.411 2.906 20 5 EFBDRO Cc1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946501 1304034366 /nfs/dbraw/zinc/03/43/66/1304034366.db2.gz RXUIJVLNYFKNEZ-IBGZPJMESA-N 1 0 341.411 2.744 20 5 EFBDRO Cc1cccc([C@H](C)CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867948068 1304035042 /nfs/dbraw/zinc/03/50/42/1304035042.db2.gz XOYHRASALGNCMZ-AUUYWEPGSA-N 1 0 341.411 2.997 20 5 EFBDRO Cc1cccc([C@@H](C)CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867948071 1304035646 /nfs/dbraw/zinc/03/56/46/1304035646.db2.gz XOYHRASALGNCMZ-LIRRHRJNSA-N 1 0 341.411 2.997 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948201 1304036183 /nfs/dbraw/zinc/03/61/83/1304036183.db2.gz ZTRJALVUZRGDBV-MJGOQNOKSA-N 1 0 339.395 2.881 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948591 1304036689 /nfs/dbraw/zinc/03/66/89/1304036689.db2.gz ZGPZEPSWAMPWLW-QXAKKESOSA-N 1 0 339.395 2.615 20 5 EFBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948659 1304036988 /nfs/dbraw/zinc/03/69/88/1304036988.db2.gz AUBSYUCRWVRPAV-SJCJKPOMSA-N 1 0 347.440 2.825 20 5 EFBDRO Cc1cccc2c1CC[C@H]2NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951820 1304039795 /nfs/dbraw/zinc/03/97/95/1304039795.db2.gz QXQONRKDQRAUPU-MJGOQNOKSA-N 1 0 339.395 2.881 20 5 EFBDRO CS[C@@H]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867953133 1304041161 /nfs/dbraw/zinc/04/11/61/1304041161.db2.gz NRTQUVVWLKHZOF-XPKDYRNWSA-N 1 0 337.445 2.559 20 5 EFBDRO CS[C@@H]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867953130 1304041184 /nfs/dbraw/zinc/04/11/84/1304041184.db2.gz NRTQUVVWLKHZOF-BJJXKVORSA-N 1 0 337.445 2.559 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956800 1304042943 /nfs/dbraw/zinc/04/29/43/1304042943.db2.gz UFYOVFSNIMUQSF-SQWLQELKSA-N 1 0 337.445 2.559 20 5 EFBDRO Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000867995852 1304067315 /nfs/dbraw/zinc/06/73/15/1304067315.db2.gz JYBDJBGFUTVYTN-INIZCTEOSA-N 1 0 327.384 3.000 20 5 EFBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000868899795 1304525530 /nfs/dbraw/zinc/52/55/30/1304525530.db2.gz MAPXIAPYLIGKQK-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000869801594 1304977045 /nfs/dbraw/zinc/97/70/45/1304977045.db2.gz JTYKXTCEHQNTHV-NVXWUHKLSA-N 1 0 347.459 2.706 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000870976438 1305723240 /nfs/dbraw/zinc/72/32/40/1305723240.db2.gz DQSBCCKEOLZLTK-ZSBIGDGJSA-N 1 0 335.429 2.577 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218469412 1315201124 /nfs/dbraw/zinc/20/11/24/1315201124.db2.gz VRSUUYKWXXREEC-OVYXKVPISA-N 1 0 345.168 2.873 20 5 EFBDRO CC1(NC(=O)c2ccco2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045347199 1307262855 /nfs/dbraw/zinc/26/28/55/1307262855.db2.gz UZBWNABPWUOLHE-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900009427 1307595749 /nfs/dbraw/zinc/59/57/49/1307595749.db2.gz HXLCPIZJBAGPJL-SNVBAGLBSA-N 1 0 329.759 2.601 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900355366 1308045712 /nfs/dbraw/zinc/04/57/12/1308045712.db2.gz SUBOEPVSUMJCKF-UHFFFAOYSA-N 1 0 343.786 2.849 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900429523 1308155773 /nfs/dbraw/zinc/15/57/73/1308155773.db2.gz MWSXLPHRWRQSBS-JTQLQIEISA-N 1 0 343.786 2.849 20 5 EFBDRO CC(C)[NH+](Cc1cn(CCOc2ccccc2[N+](=O)[O-])nn1)C(C)C ZINC000900526456 1308260070 /nfs/dbraw/zinc/26/00/70/1308260070.db2.gz ZTBXCFLZZIKSFP-UHFFFAOYSA-N 1 0 347.419 2.884 20 5 EFBDRO C[NH+]1CCN(c2cccc(Nc3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC001209936845 1314261966 /nfs/dbraw/zinc/26/19/66/1314261966.db2.gz WVJRNLGDJQVQLJ-UHFFFAOYSA-N 1 0 327.388 2.672 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900957429 1309036280 /nfs/dbraw/zinc/03/62/80/1309036280.db2.gz BUTGMDIVEUZEDO-QWRGUYRKSA-N 1 0 343.786 2.990 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900957428 1309036945 /nfs/dbraw/zinc/03/69/45/1309036945.db2.gz BUTGMDIVEUZEDO-MNOVXSKESA-N 1 0 343.786 2.990 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900957430 1309037109 /nfs/dbraw/zinc/03/71/09/1309037109.db2.gz BUTGMDIVEUZEDO-WDEREUQCSA-N 1 0 343.786 2.990 20 5 EFBDRO C[NH+]1CCN(c2cccnc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210380784 1314323893 /nfs/dbraw/zinc/32/38/93/1314323893.db2.gz IYBJNTIBRLGKAX-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH+](C)CCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398613 1310341272 /nfs/dbraw/zinc/34/12/72/1310341272.db2.gz WQCNJHMOMWZVCJ-UHFFFAOYSA-N 1 0 330.388 2.954 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519345 1310439779 /nfs/dbraw/zinc/43/97/79/1310439779.db2.gz MDHPCPYHBNAABC-HNNXBMFYSA-N 1 0 339.411 2.667 20 5 EFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801814255 1310960775 /nfs/dbraw/zinc/96/07/75/1310960775.db2.gz HBAPQLSYTUWBJC-UHFFFAOYSA-N 1 0 332.335 2.630 20 5 EFBDRO C[C@@H]1CCC[C@@](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000749692953 1311037897 /nfs/dbraw/zinc/03/78/97/1311037897.db2.gz UVTNBLJDNXDXNY-FHLIZLRMSA-N 1 0 335.448 2.728 20 5 EFBDRO CCOC(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749692856 1311038132 /nfs/dbraw/zinc/03/81/32/1311038132.db2.gz SZDLOSUUQGMNQE-KRWDZBQOSA-N 1 0 344.367 2.595 20 5 EFBDRO O=C(OCCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000801874994 1311043049 /nfs/dbraw/zinc/04/30/49/1311043049.db2.gz HJJZXYIIPXEASM-UHFFFAOYSA-N 1 0 348.399 2.781 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751934970 1311141900 /nfs/dbraw/zinc/14/19/00/1311141900.db2.gz ULOUZJUODACEEC-PBHICJAKSA-N 1 0 347.419 2.741 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801959869 1311151505 /nfs/dbraw/zinc/15/15/05/1311151505.db2.gz LWEWDWMDEPWOLX-UHFFFAOYSA-N 1 0 346.362 2.673 20 5 EFBDRO O=C(/C=C\C1CC1)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222730901 1311177481 /nfs/dbraw/zinc/17/74/81/1311177481.db2.gz KKGOMOJBFSOFOW-YVMONPNESA-N 1 0 343.427 2.889 20 5 EFBDRO O=C(/C=C\C1CC1)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222741177 1311178422 /nfs/dbraw/zinc/17/84/22/1311178422.db2.gz MLEUHHXVWMOLSL-FPLPWBNLSA-N 1 0 343.427 2.889 20 5 EFBDRO C/C=C(\C)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222755849 1311180136 /nfs/dbraw/zinc/18/01/36/1311180136.db2.gz CFQOFNQBOSXXCX-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO C/C=C(/C)C(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222756936 1311180507 /nfs/dbraw/zinc/18/05/07/1311180507.db2.gz VLXLWRUSDAQDFD-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1Oc1ccccc1 ZINC001223197304 1311229016 /nfs/dbraw/zinc/22/90/16/1311229016.db2.gz FLPHOYCJICZWEH-QGZVFWFLSA-N 1 0 344.431 2.979 20 5 EFBDRO COC(=O)c1cccc(COC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001223663222 1311288963 /nfs/dbraw/zinc/28/89/63/1311288963.db2.gz UUSKZCVBIHKEBG-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc(CO[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223691951 1311293036 /nfs/dbraw/zinc/29/30/36/1311293036.db2.gz XOKAHECROROEFR-MRXNPFEDSA-N 1 0 336.388 2.771 20 5 EFBDRO COc1cc(COC2CC[NH+](CCF)CC2)c([N+](=O)[O-])cc1OC ZINC001223909543 1311319409 /nfs/dbraw/zinc/31/94/09/1311319409.db2.gz OAJVEMXRNKANEY-UHFFFAOYSA-N 1 0 342.367 2.563 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223962622 1311326127 /nfs/dbraw/zinc/32/61/27/1311326127.db2.gz JJGPAGBMRIBPFD-MUJYYYPQSA-N 1 0 348.399 2.913 20 5 EFBDRO COC(=O)c1c(C)c2ccccc2nc1CO[C@@H](C)C[N+](C)(C)C ZINC001224071597 1311339014 /nfs/dbraw/zinc/33/90/14/1311339014.db2.gz TUHDSNOIFBKTTE-ZDUSSCGKSA-N 1 0 331.436 2.941 20 5 EFBDRO CC(C)Oc1nc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001158750798 1311380202 /nfs/dbraw/zinc/38/02/02/1311380202.db2.gz FFTINWKHCCONIT-UHFFFAOYSA-N 1 0 341.371 2.617 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CC1 ZINC001224496081 1311398597 /nfs/dbraw/zinc/39/85/97/1311398597.db2.gz MUWCNOUHGRPJLV-UHFFFAOYSA-N 1 0 349.406 2.673 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](OCCC[N+](C)(C)C)[C@@H](F)C1 ZINC001224617987 1311414141 /nfs/dbraw/zinc/41/41/41/1311414141.db2.gz BCZUYACNQFRUEN-LSDHHAIUSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224618420 1311414358 /nfs/dbraw/zinc/41/43/58/1311414358.db2.gz GRCVCNSLBWUVOW-HUUCEWRRSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224618421 1311414408 /nfs/dbraw/zinc/41/44/08/1311414408.db2.gz GRCVCNSLBWUVOW-LSDHHAIUSA-N 1 0 333.468 2.837 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[NH2+]C4(CC4)C3)nn2)ccc1Cl ZINC001158944070 1311421124 /nfs/dbraw/zinc/42/11/24/1311421124.db2.gz HSMYXDOBFOCZAO-UHFFFAOYSA-N 1 0 345.790 2.647 20 5 EFBDRO O=C(NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001158997090 1311431492 /nfs/dbraw/zinc/43/14/92/1311431492.db2.gz ZZXULIBNVIUPFF-UHFFFAOYSA-N 1 0 329.400 2.643 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(C[NH2+]C2)CC1 ZINC001159050118 1311440955 /nfs/dbraw/zinc/44/09/55/1311440955.db2.gz RXVZFOHHCJUMEW-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2occc2[nH]1 ZINC001159121667 1311454793 /nfs/dbraw/zinc/45/47/93/1311454793.db2.gz NUBFXTVZNXQMKV-UHFFFAOYSA-N 1 0 342.355 2.579 20 5 EFBDRO CC(C)(C)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001225253078 1311495455 /nfs/dbraw/zinc/49/54/55/1311495455.db2.gz ZGKWHCCIUQEJEK-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225432254 1311522991 /nfs/dbraw/zinc/52/29/91/1311522991.db2.gz BDDOICQBRYSPJK-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO COc1cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001225441102 1311524068 /nfs/dbraw/zinc/52/40/68/1311524068.db2.gz KFNOXUHFSUCYGS-OKILXGFUSA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159499512 1311527436 /nfs/dbraw/zinc/52/74/36/1311527436.db2.gz ANLMGNIVUKBSFX-NHYWBVRUSA-N 1 0 346.362 2.585 20 5 EFBDRO C[C@H](Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159501078 1311528624 /nfs/dbraw/zinc/52/86/24/1311528624.db2.gz YESHNSCFFFWBAS-JOYOIKCWSA-N 1 0 336.779 2.585 20 5 EFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001159532763 1311535368 /nfs/dbraw/zinc/53/53/68/1311535368.db2.gz MDXZWOJYEOOJDB-DTWKUNHWSA-N 1 0 342.783 2.502 20 5 EFBDRO COc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001159538461 1311536251 /nfs/dbraw/zinc/53/62/51/1311536251.db2.gz VVZATTIIRNRNEI-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159539187 1311536573 /nfs/dbraw/zinc/53/65/73/1311536573.db2.gz FJUZIWPLBZFMGP-UHFFFAOYSA-N 1 0 331.351 2.591 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1[nH]ccc1C1CC1 ZINC001159615093 1311552538 /nfs/dbraw/zinc/55/25/38/1311552538.db2.gz ZZJHFHVECIZBJI-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225614745 1311553217 /nfs/dbraw/zinc/55/32/17/1311553217.db2.gz DCRVOMNFZBKKFN-CTYIDZIISA-N 1 0 336.388 2.626 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225660359 1311561320 /nfs/dbraw/zinc/56/13/20/1311561320.db2.gz CQDXDPCLUNVUNR-CZUORRHYSA-N 1 0 343.383 2.985 20 5 EFBDRO COC(=O)c1ccc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001225859373 1311582885 /nfs/dbraw/zinc/58/28/85/1311582885.db2.gz NALYTLKKGUSWOZ-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225888828 1311586497 /nfs/dbraw/zinc/58/64/97/1311586497.db2.gz HETNCNSBBGHKPB-XYPYZODXSA-N 1 0 327.312 2.894 20 5 EFBDRO O=[N+]([O-])c1ccc(F)c(F)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225962728 1311595407 /nfs/dbraw/zinc/59/54/07/1311595407.db2.gz LEYBEDJKUIFXRK-HAQNSBGRSA-N 1 0 342.342 2.895 20 5 EFBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226081126 1311611344 /nfs/dbraw/zinc/61/13/44/1311611344.db2.gz CSBKAFMWGNXMEU-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3nc(Cl)ncc3[N+](=O)[O-])c2C1 ZINC001159947654 1311615126 /nfs/dbraw/zinc/61/51/26/1311615126.db2.gz OYFDIFUYASVHNT-VIFPVBQESA-N 1 0 343.774 2.798 20 5 EFBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226117719 1311615816 /nfs/dbraw/zinc/61/58/16/1311615816.db2.gz GEFLWCRGAWYVLF-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226131270 1311617588 /nfs/dbraw/zinc/61/75/88/1311617588.db2.gz GDIXBKVQGZJFOV-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001226131583 1311617812 /nfs/dbraw/zinc/61/78/12/1311617812.db2.gz NKJWXBUTMRXHSU-BETUJISGSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001160012689 1311628422 /nfs/dbraw/zinc/62/84/22/1311628422.db2.gz RNYCVSHFKZPMRR-UHFFFAOYSA-N 1 0 332.335 2.593 20 5 EFBDRO COc1cc(Br)c(O[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001226279293 1311641788 /nfs/dbraw/zinc/64/17/88/1311641788.db2.gz ITPOQXIVFSATEX-VIFPVBQESA-N 1 0 345.193 2.839 20 5 EFBDRO CC(=O)c1ccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001226289282 1311642881 /nfs/dbraw/zinc/64/28/81/1311642881.db2.gz VRJIGZWDJIKNSL-OAHLLOKOSA-N 1 0 348.399 2.820 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2N2CC[NH2+]CC2)c(Cl)c1 ZINC001160108761 1311645932 /nfs/dbraw/zinc/64/59/32/1311645932.db2.gz WQMAJJRSBSLSCT-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO [NH3+]CCc1cc2ccccc2n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160124027 1311648136 /nfs/dbraw/zinc/64/81/36/1311648136.db2.gz IQKQGNKJIJJDKA-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CCOc1nc(-n2c(CC[NH3+])cc3ccccc32)ccc1[N+](=O)[O-] ZINC001160125600 1311648508 /nfs/dbraw/zinc/64/85/08/1311648508.db2.gz HPVQTFZYSLVITM-UHFFFAOYSA-N 1 0 326.356 2.834 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cc1Br)C2 ZINC001226339736 1311651684 /nfs/dbraw/zinc/65/16/84/1311651684.db2.gz PIJLRKVWOIIQPI-DOFRTFSJSA-N 1 0 342.193 2.756 20 5 EFBDRO Cc1ccc(-c2ccc(NC[C@@H]3CCCC[NH2+]3)nn2)cc1[N+](=O)[O-] ZINC001160146545 1311655451 /nfs/dbraw/zinc/65/54/51/1311655451.db2.gz BKEJUDUKGYPNPP-AWEZNQCLSA-N 1 0 327.388 2.914 20 5 EFBDRO CC(C)Oc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001160198747 1311662820 /nfs/dbraw/zinc/66/28/20/1311662820.db2.gz ALFQRVHSNGZBAL-LBPRGKRZSA-N 1 0 344.371 2.635 20 5 EFBDRO COc1ccc(Nc2ccccc2CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160297378 1311683877 /nfs/dbraw/zinc/68/38/77/1311683877.db2.gz WRPBOTSYUBIDGI-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccccc2CN2CC[NH2+]CC2)c1 ZINC001160299173 1311683989 /nfs/dbraw/zinc/68/39/89/1311683989.db2.gz RUZSUQYROSMDGR-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2C[NH3+])nc1Cl ZINC001160338160 1311692207 /nfs/dbraw/zinc/69/22/07/1311692207.db2.gz SNGXFNVJCDTWST-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001160338666 1311693432 /nfs/dbraw/zinc/69/34/32/1311693432.db2.gz FJYLSYBOZPSZRS-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001226733705 1311715197 /nfs/dbraw/zinc/71/51/97/1311715197.db2.gz SHPSPPTYOAGUKI-BHYGNILZSA-N 1 0 340.383 2.674 20 5 EFBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001160468950 1311717722 /nfs/dbraw/zinc/71/77/22/1311717722.db2.gz OMSDWJOTJCWFRB-XYYAHUGASA-N 1 0 327.388 2.965 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCc2nccn2C1 ZINC001226789144 1311723480 /nfs/dbraw/zinc/72/34/80/1311723480.db2.gz JJFRQGJJALAJDY-SNVBAGLBSA-N 1 0 338.161 2.948 20 5 EFBDRO COc1cnc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001160661318 1311753592 /nfs/dbraw/zinc/75/35/92/1311753592.db2.gz FUYMFYHXMJCZQT-ZDUSSCGKSA-N 1 0 330.388 2.600 20 5 EFBDRO COc1cc(N(Cc2ccccc2)C[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC001160662980 1311754375 /nfs/dbraw/zinc/75/43/75/1311754375.db2.gz WEIJTXHNBSYXSF-CYBMUJFWSA-N 1 0 330.388 2.600 20 5 EFBDRO CCOc1nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC001160664627 1311754570 /nfs/dbraw/zinc/75/45/70/1311754570.db2.gz FPUHIQAPLNSAKF-AWEZNQCLSA-N 1 0 344.415 2.990 20 5 EFBDRO C[NH+](C)CC[C@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001227109335 1311763129 /nfs/dbraw/zinc/76/31/29/1311763129.db2.gz XAJCYIIVWOZJOM-HNNXBMFYSA-N 1 0 346.343 2.970 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160740212 1311772346 /nfs/dbraw/zinc/77/23/46/1311772346.db2.gz YYLAGBVKUAUGBU-UXHICEINSA-N 1 0 334.419 2.674 20 5 EFBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC[NH+]3CCC(F)(F)CC3)nc12 ZINC001160749323 1311774156 /nfs/dbraw/zinc/77/41/56/1311774156.db2.gz QKPRBQJOAAFEAU-UHFFFAOYSA-N 1 0 325.319 2.614 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227237740 1311781052 /nfs/dbraw/zinc/78/10/52/1311781052.db2.gz YBETYXHWZVRHIB-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227237738 1311781080 /nfs/dbraw/zinc/78/10/80/1311781080.db2.gz YBETYXHWZVRHIB-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227259595 1311784552 /nfs/dbraw/zinc/78/45/52/1311784552.db2.gz KGFIBKOMUNHARH-VIFPVBQESA-N 1 0 330.182 2.615 20 5 EFBDRO CC(C)c1ccc(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001160813401 1311786851 /nfs/dbraw/zinc/78/68/51/1311786851.db2.gz OJQIUVKNDWPYSK-UHFFFAOYSA-N 1 0 341.415 2.850 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227306417 1311791331 /nfs/dbraw/zinc/79/13/31/1311791331.db2.gz JVOTXNJSMBNIBM-NSHDSACASA-N 1 0 341.363 2.830 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(C(C)(C)C[NH3+])c3ccccc32)n1 ZINC001160843390 1311795509 /nfs/dbraw/zinc/79/55/09/1311795509.db2.gz YIAMWXLINHRMMQ-UHFFFAOYSA-N 1 0 325.372 2.873 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001227545105 1311819612 /nfs/dbraw/zinc/81/96/12/1311819612.db2.gz VWTNSKQAOXAENI-SNVBAGLBSA-N 1 0 328.390 2.695 20 5 EFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658063 1311893081 /nfs/dbraw/zinc/89/30/81/1311893081.db2.gz GTHAAJFGEPZEEO-UHFFFAOYSA-N 1 0 337.420 2.984 20 5 EFBDRO COCCC1(CNc2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161502730 1311902003 /nfs/dbraw/zinc/90/20/03/1311902003.db2.gz JCIHBFMGNZBIRU-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(F)CCCC1 ZINC001161524197 1311906763 /nfs/dbraw/zinc/90/67/63/1311906763.db2.gz HIHOGFLSKLXUIY-UHFFFAOYSA-N 1 0 329.397 2.535 20 5 EFBDRO [NH3+]C1(CC2CCC2)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161575825 1311920484 /nfs/dbraw/zinc/92/04/84/1311920484.db2.gz FOWDASJRNLNQTF-UHFFFAOYSA-N 1 0 329.404 2.959 20 5 EFBDRO C[C@H](CCc1ccccc1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161612908 1311931124 /nfs/dbraw/zinc/93/11/24/1311931124.db2.gz NJVZLTLZHXHBBE-GFCCVEGCSA-N 1 0 327.388 2.505 20 5 EFBDRO C[C@]12C[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614897 1311941767 /nfs/dbraw/zinc/94/17/67/1311941767.db2.gz ROUMJGKIVLEULW-WKZPIUISSA-N 1 0 341.367 2.604 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680709 1311949711 /nfs/dbraw/zinc/94/97/11/1311949711.db2.gz YUWZQASKXMLOBI-HDJSIYSDSA-N 1 0 336.436 2.659 20 5 EFBDRO CN1CC[NH+](CCCNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001161708231 1311956622 /nfs/dbraw/zinc/95/66/22/1311956622.db2.gz DJEXWWULFOYEDA-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001228611528 1311970363 /nfs/dbraw/zinc/97/03/63/1311970363.db2.gz MBLKOKSKAIEKHD-BETUJISGSA-N 1 0 342.342 2.895 20 5 EFBDRO Cc1nc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161826341 1311982979 /nfs/dbraw/zinc/98/29/79/1311982979.db2.gz CIWFRPBFZIRFLG-INIZCTEOSA-N 1 0 345.378 2.985 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161827483 1311983489 /nfs/dbraw/zinc/98/34/89/1311983489.db2.gz NPNZOBIAKVQANF-INIZCTEOSA-N 1 0 345.378 2.864 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001228807110 1312002411 /nfs/dbraw/zinc/00/24/11/1312002411.db2.gz TYPFRRLMVJELRT-SNVBAGLBSA-N 1 0 335.346 2.751 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cccc(Br)c21 ZINC001228856659 1312011140 /nfs/dbraw/zinc/01/11/40/1312011140.db2.gz GHVMPYUZKXOUDC-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@H](Oc1cnccc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001228880909 1312015041 /nfs/dbraw/zinc/01/50/41/1312015041.db2.gz ZUVSSWKITSVKLK-KBXCAEBGSA-N 1 0 343.383 2.658 20 5 EFBDRO [NH3+]C1(Cc2ccccc2F)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001161987045 1312022443 /nfs/dbraw/zinc/02/24/43/1312022443.db2.gz IRCFPASRFDDGQK-UHFFFAOYSA-N 1 0 348.353 2.808 20 5 EFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])c(Br)cc2F)CC1 ZINC001228939737 1312024026 /nfs/dbraw/zinc/02/40/26/1312024026.db2.gz WXOVZCUZEQTTAM-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCC1(C(=O)OC)CCOCC1 ZINC001161999377 1312025747 /nfs/dbraw/zinc/02/57/47/1312025747.db2.gz PSCCZNIBHOAWQF-UHFFFAOYSA-N 1 0 335.468 2.665 20 5 EFBDRO Cn1cc(N(CC[NH3+])c2cccc3ccccc32)cc([N+](=O)[O-])c1=O ZINC001162005494 1312027533 /nfs/dbraw/zinc/02/75/33/1312027533.db2.gz PFMQMVRUAATXFP-UHFFFAOYSA-N 1 0 338.367 2.544 20 5 EFBDRO CC[NH+]1CCC(Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001228965093 1312028268 /nfs/dbraw/zinc/02/82/68/1312028268.db2.gz ZNOJTJDIIFYFAR-UHFFFAOYSA-N 1 0 342.779 2.898 20 5 EFBDRO O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228968754 1312029081 /nfs/dbraw/zinc/02/90/81/1312029081.db2.gz OYPLDLYUCOISEY-CQSZACIVSA-N 1 0 330.340 2.659 20 5 EFBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001228975052 1312030548 /nfs/dbraw/zinc/03/05/48/1312030548.db2.gz XUPPILGRWJJVQP-CQSZACIVSA-N 1 0 348.399 2.820 20 5 EFBDRO CC1(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC(F)(F)CC1 ZINC001162030304 1312035058 /nfs/dbraw/zinc/03/50/58/1312035058.db2.gz FPILRZYEAMPDNL-UHFFFAOYSA-N 1 0 341.362 2.699 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)cc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162037511 1312036545 /nfs/dbraw/zinc/03/65/45/1312036545.db2.gz ZGMGCKHNXWJSPS-UHFFFAOYSA-N 1 0 347.806 2.772 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(NCC2(c3cccnc3)CC[NH2+]CC2)n1 ZINC001162037385 1312036772 /nfs/dbraw/zinc/03/67/72/1312036772.db2.gz XGOYPKQDXHXNQE-UHFFFAOYSA-N 1 0 347.806 2.772 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001162076116 1312042513 /nfs/dbraw/zinc/04/25/13/1312042513.db2.gz YEFKZESFQSDCJK-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CC(=O)Nc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128065 1312051267 /nfs/dbraw/zinc/05/12/67/1312051267.db2.gz KBSMWKRXBLGCAA-ZDUSSCGKSA-N 1 0 349.387 2.617 20 5 EFBDRO Cc1cc(-n2c(C[NH3+])nc3cnccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001162214929 1312069496 /nfs/dbraw/zinc/06/94/96/1312069496.db2.gz MPHYKFSCTKEJEK-UHFFFAOYSA-N 1 0 334.339 2.644 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396393 1312089043 /nfs/dbraw/zinc/08/90/43/1312089043.db2.gz SSULXIXVOGVQHR-GXTWGEPZSA-N 1 0 329.356 2.910 20 5 EFBDRO O=C(CC1CCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048742582 1312092935 /nfs/dbraw/zinc/09/29/35/1312092935.db2.gz ZNGLIQRXXNHAQW-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454615 1312099129 /nfs/dbraw/zinc/09/91/29/1312099129.db2.gz ODQNBHOYBKCRBR-KDOFPFPSSA-N 1 0 343.383 2.518 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162472939 1312110294 /nfs/dbraw/zinc/11/02/94/1312110294.db2.gz ZWAPFVBHCYEVCC-AAEUAGOBSA-N 1 0 335.404 2.737 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478243 1312110706 /nfs/dbraw/zinc/11/07/06/1312110706.db2.gz VBVIBRFQVLZDOF-YUMQZZPRSA-N 1 0 336.136 2.608 20 5 EFBDRO C[NH+](C)Cc1ccccc1O[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001229700921 1312125162 /nfs/dbraw/zinc/12/51/62/1312125162.db2.gz DVXWDXHTXPQQFX-GOSISDBHSA-N 1 0 344.367 2.874 20 5 EFBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001162598193 1312132461 /nfs/dbraw/zinc/13/24/61/1312132461.db2.gz SCGLMWLEARSQNC-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c(Cl)n1 ZINC001229915026 1312159574 /nfs/dbraw/zinc/15/95/74/1312159574.db2.gz IIYSFVAEJPAPFO-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO Cc1cnccc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001162722203 1312160685 /nfs/dbraw/zinc/16/06/85/1312160685.db2.gz YUYMDQZQFRVUFA-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162728545 1312161725 /nfs/dbraw/zinc/16/17/25/1312161725.db2.gz BSZQCWMAYZRCCO-HNNXBMFYSA-N 1 0 348.403 2.619 20 5 EFBDRO COC(=O)c1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229938430 1312162185 /nfs/dbraw/zinc/16/21/85/1312162185.db2.gz HZYMSBZJGPZMFN-XYPYZODXSA-N 1 0 340.351 2.772 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1F ZINC001229942187 1312162318 /nfs/dbraw/zinc/16/23/18/1312162318.db2.gz MSONGPQRTCVBEC-SNVBAGLBSA-N 1 0 328.340 2.630 20 5 EFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001162777559 1312173817 /nfs/dbraw/zinc/17/38/17/1312173817.db2.gz UJSDUBOWSYNJCK-MRVPVSSYSA-N 1 0 340.368 2.958 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001162848006 1312188843 /nfs/dbraw/zinc/18/88/43/1312188843.db2.gz CWJWQQGQSRBXGW-JTQLQIEISA-N 1 0 349.188 2.774 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162850605 1312189523 /nfs/dbraw/zinc/18/95/23/1312189523.db2.gz RPZHAZKXFIISEI-CYBMUJFWSA-N 1 0 341.367 2.793 20 5 EFBDRO Cc1c(N2C[C@H]([NH3+])Cc3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162850700 1312189759 /nfs/dbraw/zinc/18/97/59/1312189759.db2.gz SKXNBMOHZAUOEH-GFCCVEGCSA-N 1 0 328.328 2.833 20 5 EFBDRO CCOC(=O)c1ccc(N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162853286 1312190148 /nfs/dbraw/zinc/19/01/48/1312190148.db2.gz GOZBHWLTZCARFT-CQSZACIVSA-N 1 0 341.367 2.793 20 5 EFBDRO CCOC(=O)c1cc(N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001162854789 1312190880 /nfs/dbraw/zinc/19/08/80/1312190880.db2.gz WEQCVOOUGATDMK-ZDUSSCGKSA-N 1 0 341.367 2.793 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162854501 1312190953 /nfs/dbraw/zinc/19/09/53/1312190953.db2.gz UMCRRUUUICGGQW-ZDUSSCGKSA-N 1 0 341.367 2.711 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccc(Br)c2[N+](=O)[O-])C1 ZINC001162855096 1312190969 /nfs/dbraw/zinc/19/09/69/1312190969.db2.gz XWLKIPBMFMEKTA-SNVBAGLBSA-N 1 0 349.188 2.774 20 5 EFBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c1 ZINC001162898686 1312199936 /nfs/dbraw/zinc/19/99/36/1312199936.db2.gz GGAWGGMIYVJTBH-SECBINFHSA-N 1 0 332.747 2.845 20 5 EFBDRO CCCCCCc1c(O)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230180209 1312200247 /nfs/dbraw/zinc/20/02/47/1312200247.db2.gz BXWWBIGSQBQSTA-OAHLLOKOSA-O 1 0 338.468 2.878 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001162902034 1312200420 /nfs/dbraw/zinc/20/04/20/1312200420.db2.gz DXORQEXLRDZUMH-SNVBAGLBSA-N 1 0 340.339 2.740 20 5 EFBDRO Cc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163027992 1312229520 /nfs/dbraw/zinc/22/95/20/1312229520.db2.gz SIDYOPBJMSVEPL-MRXNPFEDSA-N 1 0 339.399 2.871 20 5 EFBDRO COc1cccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1[N+](=O)[O-] ZINC001163059076 1312234262 /nfs/dbraw/zinc/23/42/62/1312234262.db2.gz BGTGWFKLSFYGMA-CYBMUJFWSA-N 1 0 330.388 2.627 20 5 EFBDRO COc1cc([N+](=O)[O-])c(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1F ZINC001163061005 1312234403 /nfs/dbraw/zinc/23/44/03/1312234403.db2.gz QNJKPXOTNWAXGQ-LBPRGKRZSA-N 1 0 348.378 2.766 20 5 EFBDRO COc1c(F)cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163059733 1312234645 /nfs/dbraw/zinc/23/46/45/1312234645.db2.gz GOCGLTBYISTGIV-LBPRGKRZSA-N 1 0 348.378 2.766 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)cc2ccccc21 ZINC001163096117 1312240007 /nfs/dbraw/zinc/24/00/07/1312240007.db2.gz QMIOPECWYDMGAE-AWEZNQCLSA-N 1 0 327.384 2.929 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(C)c(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001230478377 1312245722 /nfs/dbraw/zinc/24/57/22/1312245722.db2.gz XNLVCZPMMFSTEZ-PLYYQAHHSA-N 1 0 348.399 2.757 20 5 EFBDRO CC(C)(F)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163133443 1312248148 /nfs/dbraw/zinc/24/81/48/1312248148.db2.gz TZQFQBFSUHGXQT-UHFFFAOYSA-N 1 0 343.424 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCc1noc2c1C[NH2+]CC2 ZINC001163132144 1312248190 /nfs/dbraw/zinc/24/81/90/1312248190.db2.gz VMYORDQIUQLSKR-UHFFFAOYSA-N 1 0 342.277 2.859 20 5 EFBDRO CC(C)(F)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163132767 1312248269 /nfs/dbraw/zinc/24/82/69/1312248269.db2.gz GLMXCCMDQSTJPO-UHFFFAOYSA-N 1 0 337.395 2.719 20 5 EFBDRO C[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230507306 1312250123 /nfs/dbraw/zinc/25/01/23/1312250123.db2.gz NBOYOMQRZWKHJB-MRVPVSSYSA-N 1 0 342.311 2.922 20 5 EFBDRO CC(C)(C)c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001163170740 1312255474 /nfs/dbraw/zinc/25/54/74/1312255474.db2.gz GYFVMVLKXWECOS-MRRJBJDNSA-N 1 0 333.432 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC001163171653 1312256442 /nfs/dbraw/zinc/25/64/42/1312256442.db2.gz MKGQKANCVQSUPL-UDZFHETQSA-N 1 0 345.321 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc2ccccc21 ZINC001163177358 1312257828 /nfs/dbraw/zinc/25/78/28/1312257828.db2.gz FTFFTEPZOBONLK-MZMPZRCHSA-N 1 0 327.384 2.784 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cc(Cl)cc([N+](=O)[O-])n3)cn2)cc1 ZINC001163215002 1312265000 /nfs/dbraw/zinc/26/50/00/1312265000.db2.gz CFCSCRXLGGURMF-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cc([N+](=O)[O-])cc(Cl)n3)cn2)cc1 ZINC001163215614 1312265758 /nfs/dbraw/zinc/26/57/58/1312265758.db2.gz LBGLTTKOKPEZHD-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO CN1Cc2cc(N[C@@H]3C[NH2+]Cc4ccsc43)cc([N+](=O)[O-])c2N1 ZINC001163239853 1312272730 /nfs/dbraw/zinc/27/27/30/1312272730.db2.gz SLEMQKRAKUWOJJ-GFCCVEGCSA-N 1 0 331.401 2.685 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)nc2c1 ZINC001163261104 1312276442 /nfs/dbraw/zinc/27/64/42/1312276442.db2.gz FNTSVNKZYWALFC-MIMYLULJSA-N 1 0 333.779 2.601 20 5 EFBDRO Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163261630 1312276530 /nfs/dbraw/zinc/27/65/30/1312276530.db2.gz GXLXPJDGJGRFJK-KBMXLJTQSA-N 1 0 339.399 2.770 20 5 EFBDRO CC(C)=CC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163275708 1312280032 /nfs/dbraw/zinc/28/00/32/1312280032.db2.gz JTIRCBVHTXGVLK-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2cc[nH]c21 ZINC001163276973 1312280568 /nfs/dbraw/zinc/28/05/68/1312280568.db2.gz CJOUWMCTZFUHRN-PXAZEXFGSA-N 1 0 330.388 2.647 20 5 EFBDRO CC1(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)CC1 ZINC001048940833 1312282676 /nfs/dbraw/zinc/28/26/76/1312282676.db2.gz AMQQYUWXMYESKC-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO [NH3+]C[C@@H](NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl)c1ccccc1 ZINC001163293951 1312283894 /nfs/dbraw/zinc/28/38/94/1312283894.db2.gz DHFYFIVRZUFLBA-GFCCVEGCSA-N 1 0 342.733 2.982 20 5 EFBDRO CC1(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC001048942956 1312284525 /nfs/dbraw/zinc/28/45/25/1312284525.db2.gz PHRFNWLEKCFIAJ-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001163309980 1312286537 /nfs/dbraw/zinc/28/65/37/1312286537.db2.gz QXDNFFZDKJAADE-ZDUSSCGKSA-N 1 0 327.344 2.592 20 5 EFBDRO Nc1nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ccc1[N+](=O)[O-] ZINC001163319775 1312288633 /nfs/dbraw/zinc/28/86/33/1312288633.db2.gz KFRPNRQMZQWLLO-ZDUSSCGKSA-N 1 0 331.420 2.805 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001163322015 1312288995 /nfs/dbraw/zinc/28/89/95/1312288995.db2.gz FRXCBHJJUYEAKI-HZMBPMFUSA-N 1 0 345.321 2.937 20 5 EFBDRO Cc1cc(Cl)c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163333371 1312291823 /nfs/dbraw/zinc/29/18/23/1312291823.db2.gz RGFNGTRFTAEJQE-NHYWBVRUSA-N 1 0 325.796 2.880 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113922698 1312332544 /nfs/dbraw/zinc/33/25/44/1312332544.db2.gz ZXDXLLMVDOTTAX-CQSZACIVSA-N 1 0 345.403 2.559 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc2cccnc21 ZINC001163650536 1312354346 /nfs/dbraw/zinc/35/43/46/1312354346.db2.gz RIXWVWVLVIPVLY-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO CCOc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001163654153 1312354995 /nfs/dbraw/zinc/35/49/95/1312354995.db2.gz VVAHZFZEGUFWOZ-DLBZAZTESA-N 1 0 335.404 2.707 20 5 EFBDRO COc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1O ZINC001163728736 1312373479 /nfs/dbraw/zinc/37/34/79/1312373479.db2.gz ROXRNDCLJHQBHP-UHFFFAOYSA-N 1 0 329.356 2.567 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230881818 1312378860 /nfs/dbraw/zinc/37/88/60/1312378860.db2.gz BQZVAZGNOTWPTC-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO C[C@H](C[NH+](C)C)Nc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001163770944 1312381260 /nfs/dbraw/zinc/38/12/60/1312381260.db2.gz UPIUJIRAUVMDPM-GFCCVEGCSA-N 1 0 343.387 2.604 20 5 EFBDRO CC[N@@H+]1CCCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001163776223 1312382477 /nfs/dbraw/zinc/38/24/77/1312382477.db2.gz MDTWASLIJCYQOX-UHFFFAOYSA-N 1 0 345.378 2.723 20 5 EFBDRO Cc1nc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c(C)c1Br ZINC001163782454 1312383912 /nfs/dbraw/zinc/38/39/12/1312383912.db2.gz JAZGLLIVKYAFIK-SSDOTTSWSA-N 1 0 331.214 2.731 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001230919507 1312392211 /nfs/dbraw/zinc/39/22/11/1312392211.db2.gz WRROTVWUJDXMAR-LAQFHYBYSA-N 1 0 348.399 2.881 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001230919501 1312392360 /nfs/dbraw/zinc/39/23/60/1312392360.db2.gz WRROTVWUJDXMAR-FVCICTRLSA-N 1 0 348.399 2.881 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001231092057 1312428351 /nfs/dbraw/zinc/42/83/51/1312428351.db2.gz APDNZXJBPUUJLE-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])cc1Br ZINC001231120010 1312436294 /nfs/dbraw/zinc/43/62/94/1312436294.db2.gz FPDSNZMSHJIOHA-QMMMGPOBSA-N 1 0 333.206 2.534 20 5 EFBDRO Cc1nc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1Br ZINC001231120180 1312436317 /nfs/dbraw/zinc/43/63/17/1312436317.db2.gz JQNHOVVNZZINKU-JTQLQIEISA-N 1 0 344.209 2.922 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C)CC[C@@H]3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001164073650 1312442158 /nfs/dbraw/zinc/44/21/58/1312442158.db2.gz NLZCPZAGPBENMA-IUODEOHRSA-N 1 0 341.415 2.924 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001231217228 1312455217 /nfs/dbraw/zinc/45/52/17/1312455217.db2.gz KMTVQBQOFPRWBP-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231233230 1312459516 /nfs/dbraw/zinc/45/95/16/1312459516.db2.gz GRPFYIODNIPZBB-SECBINFHSA-N 1 0 349.265 2.995 20 5 EFBDRO CN1CCC(CNc2ccc3cc([N+](=O)[O-])ccc3n2)([NH+](C)C)CC1 ZINC001164206897 1312468141 /nfs/dbraw/zinc/46/81/41/1312468141.db2.gz JPILYUSDINRXAE-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001164234459 1312474370 /nfs/dbraw/zinc/47/43/70/1312474370.db2.gz XYWGAMAVGFCJNU-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCOCC1 ZINC000903229244 1312481511 /nfs/dbraw/zinc/48/15/11/1312481511.db2.gz VXLPPWAEXXKPJT-ZDUSSCGKSA-N 1 0 339.461 2.690 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164462818 1312518742 /nfs/dbraw/zinc/51/87/42/1312518742.db2.gz UQLBWHXSPQZYOK-ZJUUUORDSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164474682 1312521188 /nfs/dbraw/zinc/52/11/88/1312521188.db2.gz TVSDMVSLJOIADI-CHWSQXEVSA-N 1 0 327.388 2.615 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164473903 1312521234 /nfs/dbraw/zinc/52/12/34/1312521234.db2.gz KULJPUIFAXTRHC-UWVGGRQHSA-N 1 0 335.795 2.755 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164486168 1312523344 /nfs/dbraw/zinc/52/33/44/1312523344.db2.gz LJOYNCSSUGDHJH-BZUAXINKSA-N 1 0 339.399 2.707 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1(C(F)F)CCC1 ZINC001164503837 1312528481 /nfs/dbraw/zinc/52/84/81/1312528481.db2.gz WTIIFKCITYEBHU-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000903295975 1312546260 /nfs/dbraw/zinc/54/62/60/1312546260.db2.gz AKECVAVLXBILSJ-LERXQTSPSA-N 1 0 326.418 2.771 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000903295976 1312546383 /nfs/dbraw/zinc/54/63/83/1312546383.db2.gz AKECVAVLXBILSJ-ZLKJLUDKSA-N 1 0 326.418 2.771 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccoc1C1CC1 ZINC001164604720 1312548581 /nfs/dbraw/zinc/54/85/81/1312548581.db2.gz QXBFPVIPCSYKTG-UHFFFAOYSA-N 1 0 343.383 2.975 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH2+][C@H](Cc4ccccc4)C3)cnc2c1 ZINC001164608076 1312548911 /nfs/dbraw/zinc/54/89/11/1312548911.db2.gz NDDIBRLMEWYWSH-OAHLLOKOSA-N 1 0 349.394 2.559 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001049184452 1312551818 /nfs/dbraw/zinc/55/18/18/1312551818.db2.gz CQNGYLWUXLLJOH-GASCZTMLSA-N 1 0 331.416 2.531 20 5 EFBDRO CC[NH+]1CCC(N(C)c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165067998 1312562547 /nfs/dbraw/zinc/56/25/47/1312562547.db2.gz LPKIXYUXRNPDEI-UHFFFAOYSA-N 1 0 341.415 2.972 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001165139181 1312577104 /nfs/dbraw/zinc/57/71/04/1312577104.db2.gz FTDVHWIUCUQGQB-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001165185339 1312582760 /nfs/dbraw/zinc/58/27/60/1312582760.db2.gz WOZNAOFSTFQSIO-SDBXPKJASA-N 1 0 331.203 2.685 20 5 EFBDRO CC1(C)CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344195 1312584589 /nfs/dbraw/zinc/58/45/89/1312584589.db2.gz NANPLOFYXONIOW-CABCVRRESA-N 1 0 335.452 2.597 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001165243243 1312593891 /nfs/dbraw/zinc/59/38/91/1312593891.db2.gz JLSNKUVWSAUYCW-UHFFFAOYSA-N 1 0 346.765 2.896 20 5 EFBDRO CC(C)Oc1nc(N2CCC3(CCCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001165248109 1312595360 /nfs/dbraw/zinc/59/53/60/1312595360.db2.gz FFKNFKZTLBVUOF-UHFFFAOYSA-N 1 0 334.420 2.890 20 5 EFBDRO Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001165264280 1312598237 /nfs/dbraw/zinc/59/82/37/1312598237.db2.gz ABUBLCQMQKLMEN-ZDUSSCGKSA-N 1 0 344.337 2.809 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165301183 1312605687 /nfs/dbraw/zinc/60/56/87/1312605687.db2.gz YYUJRGRWLHVJRV-ZDUSSCGKSA-N 1 0 335.404 2.834 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c21 ZINC001165322420 1312608457 /nfs/dbraw/zinc/60/84/57/1312608457.db2.gz IYQUNWVCTVQCAD-OAHLLOKOSA-N 1 0 341.415 2.897 20 5 EFBDRO CCOc1nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001165325005 1312609404 /nfs/dbraw/zinc/60/94/04/1312609404.db2.gz UFKUDPFGTVTSRB-CQSZACIVSA-N 1 0 334.420 2.747 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165418562 1312625637 /nfs/dbraw/zinc/62/56/37/1312625637.db2.gz ZEUROTQPCVJLPE-MJGOQNOKSA-N 1 0 338.411 2.882 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2=O)cc1[N+](=O)[O-] ZINC000903391542 1312627233 /nfs/dbraw/zinc/62/72/33/1312627233.db2.gz CCCPVNQONJMBAY-TZMCWYRMSA-N 1 0 335.404 2.655 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2CF)CC1 ZINC001165428477 1312628201 /nfs/dbraw/zinc/62/82/01/1312628201.db2.gz CZGWLYPEIHSJHO-JSGCOSHPSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]2CF)CC1 ZINC001165428758 1312628269 /nfs/dbraw/zinc/62/82/69/1312628269.db2.gz GAKFFPUTPILWPG-WCQYABFASA-N 1 0 330.363 2.656 20 5 EFBDRO COc1ncc([N+](=O)[O-])cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165455147 1312633189 /nfs/dbraw/zinc/63/31/89/1312633189.db2.gz UTZTXMUMRVDIQJ-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CCO)cc2)n1 ZINC000903402271 1312634736 /nfs/dbraw/zinc/63/47/36/1312634736.db2.gz ANZOXNVWHPFNOD-DLBZAZTESA-N 1 0 344.415 2.600 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(CCO)cc1 ZINC000903402878 1312635597 /nfs/dbraw/zinc/63/55/97/1312635597.db2.gz HOHOFJQMOJIEPM-CYBMUJFWSA-N 1 0 330.384 2.989 20 5 EFBDRO Cc1cccc(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001165591591 1312650481 /nfs/dbraw/zinc/65/04/81/1312650481.db2.gz XFSLPGRKICIKTK-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO COCCN1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220089 1312651426 /nfs/dbraw/zinc/65/14/26/1312651426.db2.gz JDGMFNOTLUGUCN-UHFFFAOYSA-N 1 0 336.439 2.547 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3ccc(F)c([N+](=O)[O-])c3)c2)CC1 ZINC001211190587 1314449981 /nfs/dbraw/zinc/44/99/81/1314449981.db2.gz FYGHUJRFEWXORL-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001211283554 1314468790 /nfs/dbraw/zinc/46/87/90/1314468790.db2.gz DREZURMDHBFXMX-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cncc(N2CC[NH+](C)CC2)c1 ZINC001211288073 1314469947 /nfs/dbraw/zinc/46/99/47/1314469947.db2.gz DKUMBSSIJTUNOM-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO CCOC(=O)c1cc(Nc2cc[nH+]c3c2CCC3)cc([N+](=O)[O-])c1 ZINC001211367720 1314486058 /nfs/dbraw/zinc/48/60/58/1314486058.db2.gz UHSDHLGQPAZSGC-UHFFFAOYSA-N 1 0 327.340 2.821 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC001019939084 1314543122 /nfs/dbraw/zinc/54/31/22/1314543122.db2.gz OUXDHJSNVJAIID-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC001019945759 1314546514 /nfs/dbraw/zinc/54/65/14/1314546514.db2.gz TXPPVBIRPDDQEF-WKILWMFISA-N 1 0 325.368 2.645 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCCC[NH2+]2)c1F ZINC001246241949 1314601345 /nfs/dbraw/zinc/60/13/45/1314601345.db2.gz DAYKPMLIRXIFLF-OLZOCXBDSA-N 1 0 339.411 2.795 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001246282212 1314606140 /nfs/dbraw/zinc/60/61/40/1314606140.db2.gz UPLQVLGFHCSHCE-RDTXWAMCSA-N 1 0 325.412 2.830 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001246279994 1314606485 /nfs/dbraw/zinc/60/64/85/1314606485.db2.gz NHPGAGGZFHAFRS-KSSFIOAISA-N 1 0 325.412 2.830 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccoc1Cl ZINC001020109105 1314613606 /nfs/dbraw/zinc/61/36/06/1314613606.db2.gz FYBFBPWYFDNHQN-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020116666 1314617499 /nfs/dbraw/zinc/61/74/99/1314617499.db2.gz PBFXYBQOEZCAJJ-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001020122592 1314619835 /nfs/dbraw/zinc/61/98/35/1314619835.db2.gz OLGVLPZAVHTEBJ-SHTZXODSSA-N 1 0 331.416 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)CC[C@H]2C[NH3+])c1F ZINC001246571457 1314650663 /nfs/dbraw/zinc/65/06/63/1314650663.db2.gz UJJCBCNNPRAFBG-AGIUHOORSA-N 1 0 339.411 2.733 20 5 EFBDRO NC[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246584676 1314652248 /nfs/dbraw/zinc/65/22/48/1314652248.db2.gz YIEBAFKDIUDIES-SJLPKXTDSA-N 1 0 335.423 2.995 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@@H](C[NH3+])C2)c1F ZINC001246584230 1314652539 /nfs/dbraw/zinc/65/25/39/1314652539.db2.gz TXJHHEJEUBMPLA-STQMWFEESA-N 1 0 339.411 2.734 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@H](C[NH3+])C2)c1F ZINC001246584228 1314652708 /nfs/dbraw/zinc/65/27/08/1314652708.db2.gz TXJHHEJEUBMPLA-QWHCGFSZSA-N 1 0 339.411 2.734 20 5 EFBDRO Cc1ccc(Nc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001214164919 1314653492 /nfs/dbraw/zinc/65/34/92/1314653492.db2.gz FYWCWHCBRFSHMY-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001246627738 1314659954 /nfs/dbraw/zinc/65/99/54/1314659954.db2.gz WVURPFUPOVCROX-RDTXWAMCSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001246627736 1314660768 /nfs/dbraw/zinc/66/07/68/1314660768.db2.gz WVURPFUPOVCROX-KDOFPFPSSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246643410 1314662217 /nfs/dbraw/zinc/66/22/17/1314662217.db2.gz MQDQCQPXBJATGM-KDOFPFPSSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246643409 1314662522 /nfs/dbraw/zinc/66/25/22/1314662522.db2.gz MQDQCQPXBJATGM-KBXCAEBGSA-N 1 0 333.432 2.752 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246648753 1314663918 /nfs/dbraw/zinc/66/39/18/1314663918.db2.gz MZMAIKSATPKRDL-IBGZPJMESA-N 1 0 344.459 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@H]1c1ccccc1F)C2 ZINC001246799940 1314685129 /nfs/dbraw/zinc/68/51/29/1314685129.db2.gz XDFUKSFIUHDVHN-VQIMIIECSA-N 1 0 341.386 2.848 20 5 EFBDRO COCCCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246809358 1314686860 /nfs/dbraw/zinc/68/68/60/1314686860.db2.gz QZADVNKPKJUKAC-RDJZCZTQSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1c1ccc(F)cc1)C2 ZINC001246889244 1314704127 /nfs/dbraw/zinc/70/41/27/1314704127.db2.gz WJYAAQMGQBUGBQ-RBUKOAKNSA-N 1 0 341.386 2.848 20 5 EFBDRO CCCC[C@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001246903970 1314706748 /nfs/dbraw/zinc/70/67/48/1314706748.db2.gz RUVJUKDSVGIPDN-HOCLYGCPSA-N 1 0 335.448 2.998 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@H]2CCCC[C@@H]2[NH3+])c1F ZINC001246918827 1314707965 /nfs/dbraw/zinc/70/79/65/1314707965.db2.gz MEAAEHGVBNQTPL-WHOFXGATSA-N 1 0 339.411 2.875 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001020302947 1314720418 /nfs/dbraw/zinc/72/04/18/1314720418.db2.gz XVPQKKPFDBQJKX-HDJSIYSDSA-N 1 0 343.383 2.801 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCN[C@H](C(F)(F)F)C1)CC2 ZINC001246982767 1314723513 /nfs/dbraw/zinc/72/35/13/1314723513.db2.gz DDGOWTBIEPEBTE-ZFWWWQNUSA-N 1 0 343.349 2.678 20 5 EFBDRO O[C@H]1CCN[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247514139 1314795978 /nfs/dbraw/zinc/79/59/78/1314795978.db2.gz XCHSERUSYPUQLK-DZGCQCFKSA-N 1 0 347.378 2.618 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000401501019 1314810302 /nfs/dbraw/zinc/81/03/02/1314810302.db2.gz YNNNCIQOOPVLDT-LLVKDONJSA-N 1 0 329.194 2.968 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CC45C[NH2+]C5)n3)nc12 ZINC001247869957 1314857366 /nfs/dbraw/zinc/85/73/66/1314857366.db2.gz DOJPBDJRMGYQME-ZDUSSCGKSA-N 1 0 329.363 2.910 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CC45C[NH2+]C5)n3)nc12 ZINC001247869956 1314857560 /nfs/dbraw/zinc/85/75/60/1314857560.db2.gz DOJPBDJRMGYQME-CYBMUJFWSA-N 1 0 329.363 2.910 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216476287 1314960606 /nfs/dbraw/zinc/96/06/06/1314960606.db2.gz RNBFRXBSEQVDJG-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO COc1ccccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249276669 1315043581 /nfs/dbraw/zinc/04/35/81/1315043581.db2.gz DEHLQSHUPFGILJ-CQSZACIVSA-N 1 0 340.339 2.896 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4C[NH2+]CCCO4)n3)nc12 ZINC001249318479 1315052327 /nfs/dbraw/zinc/05/23/27/1315052327.db2.gz JSJOOWJOGCUXAF-OAHLLOKOSA-N 1 0 347.378 2.884 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](OCCC[C@H]2CCC[NH2+]C2)C1 ZINC001217913259 1315120813 /nfs/dbraw/zinc/12/08/13/1315120813.db2.gz TVEXDJIQEINGDX-CVEARBPZSA-N 1 0 333.432 2.970 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CC[C@@H]2F)c(Br)c1 ZINC001217961015 1315125851 /nfs/dbraw/zinc/12/58/51/1315125851.db2.gz VSDGOVYQZWMGHQ-WPRPVWTQSA-N 1 0 337.120 2.575 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217976749 1315127771 /nfs/dbraw/zinc/12/77/71/1315127771.db2.gz LGXLIIDJDYCJEN-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1c(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)ncc1[N+](=O)[O-] ZINC001217979524 1315128646 /nfs/dbraw/zinc/12/86/46/1315128646.db2.gz IBIMZNYTLSCKST-SCZZXKLOSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217986604 1315129666 /nfs/dbraw/zinc/12/96/66/1315129666.db2.gz UDHTVKUXIUBOIO-KCJUWKMLSA-N 1 0 349.156 2.532 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001217989109 1315129743 /nfs/dbraw/zinc/12/97/43/1315129743.db2.gz PWFBQTCGUCIPPQ-QPUJVOFHSA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217986584 1315129885 /nfs/dbraw/zinc/12/98/85/1315129885.db2.gz UDHTVKUXIUBOIO-GZMMTYOYSA-N 1 0 349.156 2.532 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001217993510 1315130445 /nfs/dbraw/zinc/13/04/45/1315130445.db2.gz RVNQYBDRRMIUGM-LDYMZIIASA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218035419 1315136927 /nfs/dbraw/zinc/13/69/27/1315136927.db2.gz DCSDXESOQBTIMC-SECBINFHSA-N 1 0 327.262 2.903 20 5 EFBDRO COc1cc(Br)c(O[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001218043243 1315137969 /nfs/dbraw/zinc/13/79/69/1315137969.db2.gz GMIRULBNNOGLCO-PRHODGIISA-N 1 0 345.193 2.743 20 5 EFBDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001218065410 1315141507 /nfs/dbraw/zinc/14/15/07/1315141507.db2.gz FNDZZFRYKULDGT-MWLCHTKSSA-N 1 0 333.157 2.745 20 5 EFBDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001218065407 1315141693 /nfs/dbraw/zinc/14/16/93/1315141693.db2.gz FNDZZFRYKULDGT-GXSJLCMTSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2)c1 ZINC001218083366 1315145454 /nfs/dbraw/zinc/14/54/54/1315145454.db2.gz JMVKVTFZWVZORT-ATZDWAIDSA-N 1 0 340.379 2.875 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218080517 1315145743 /nfs/dbraw/zinc/14/57/43/1315145743.db2.gz IWWLSBWVQCLZKQ-GPMSIDNRSA-N 1 0 340.379 2.875 20 5 EFBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CNCC3(F)F)ccc12 ZINC001218235003 1315167966 /nfs/dbraw/zinc/16/79/66/1315167966.db2.gz IQTFHJNNZNPLKB-OAHLLOKOSA-N 1 0 333.290 2.638 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218243450 1315170490 /nfs/dbraw/zinc/17/04/90/1315170490.db2.gz FLCCPMNVCPIZGW-ZDUSSCGKSA-N 1 0 335.360 2.931 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218285977 1315175234 /nfs/dbraw/zinc/17/52/34/1315175234.db2.gz OZBLPOPQOZUZBH-QMMMGPOBSA-N 1 0 335.238 2.653 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC[C@H]2F)c2ccccc21 ZINC001218322678 1315178705 /nfs/dbraw/zinc/17/87/05/1315178705.db2.gz SBOIKZQFCFTXAJ-RISCZKNCSA-N 1 0 335.291 2.735 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CC[C@H]2F)c(Br)c1 ZINC001218322892 1315178839 /nfs/dbraw/zinc/17/88/39/1315178839.db2.gz VSDGOVYQZWMGHQ-SCZZXKLOSA-N 1 0 337.120 2.575 20 5 EFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001218386483 1315187267 /nfs/dbraw/zinc/18/72/67/1315187267.db2.gz LIGSSVUANDOLLB-MADCSZMMSA-N 1 0 327.262 2.901 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218400100 1315190058 /nfs/dbraw/zinc/19/00/58/1315190058.db2.gz RFEPRLMECPCRCH-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC001218447885 1315197270 /nfs/dbraw/zinc/19/72/70/1315197270.db2.gz KAUBXNVUQLXJCP-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218448124 1315197482 /nfs/dbraw/zinc/19/74/82/1315197482.db2.gz LRNACBLTIAIHPF-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1Br ZINC001218461800 1315200466 /nfs/dbraw/zinc/20/04/66/1315200466.db2.gz UGLPKZQNVVSBQI-DFAYQTQMSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(Br)c1 ZINC001218473865 1315201658 /nfs/dbraw/zinc/20/16/58/1315201658.db2.gz SERLOHIJKMRALH-HLUHBDAQSA-N 1 0 327.178 2.734 20 5 EFBDRO COC(=O)c1cc(O[C@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001218486263 1315204003 /nfs/dbraw/zinc/20/40/03/1315204003.db2.gz IUAJUHYPWXNKLS-INIZCTEOSA-N 1 0 328.324 2.605 20 5 EFBDRO Cn1cnc(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)n1 ZINC001218503079 1315206358 /nfs/dbraw/zinc/20/63/58/1315206358.db2.gz DAJICSAKOIWDJD-SFHVURJKSA-N 1 0 345.406 2.630 20 5 EFBDRO Cn1cc(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)nn1 ZINC001218629333 1315223670 /nfs/dbraw/zinc/22/36/70/1315223670.db2.gz UXGLUQRLMQYIMB-SFHVURJKSA-N 1 0 345.406 2.630 20 5 EFBDRO Cn1nncc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218700208 1315232023 /nfs/dbraw/zinc/23/20/23/1315232023.db2.gz NODXWSPAOJTPKM-SFHVURJKSA-N 1 0 345.406 2.630 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857744 1315250887 /nfs/dbraw/zinc/25/08/87/1315250887.db2.gz QQUMFZIIBMWHPG-VXGBXAGGSA-N 1 0 335.411 2.549 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001218858017 1315251647 /nfs/dbraw/zinc/25/16/47/1315251647.db2.gz UCTKYYOKTNQWQB-LBPRGKRZSA-N 1 0 335.411 2.693 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218858030 1315251941 /nfs/dbraw/zinc/25/19/41/1315251941.db2.gz UKHZMTUPIUCOHM-ZMZPIMSZSA-N 1 0 335.411 2.692 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858284 1315252035 /nfs/dbraw/zinc/25/20/35/1315252035.db2.gz XGKPSAXTSDAXOM-NWDGAFQWSA-N 1 0 335.411 2.692 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001318412977 1328580290 /nfs/dbraw/zinc/58/02/90/1328580290.db2.gz JTCGOSVSKQVBNK-HIFRSBDPSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219254336 1315294738 /nfs/dbraw/zinc/29/47/38/1315294738.db2.gz YCRQMWXPOHRYFY-TZMCWYRMSA-N 1 0 335.407 2.717 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001318412980 1328580200 /nfs/dbraw/zinc/58/02/00/1328580200.db2.gz JTCGOSVSKQVBNK-ZFWWWQNUSA-N 1 0 337.445 2.919 20 5 EFBDRO [NH3+][C@H]1COC[C@H]1NC(=O)CCc1c2ccccc2cc2ccccc21 ZINC001219719918 1315343001 /nfs/dbraw/zinc/34/30/01/1315343001.db2.gz AHSYRGDFDAAJAT-VQTJNVASSA-N 1 0 334.419 2.768 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099282 1315371049 /nfs/dbraw/zinc/37/10/49/1315371049.db2.gz IYDOLFUXPSVTMI-HBMCJLEFSA-N 1 0 348.446 2.892 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCC1CC(=O)C1 ZINC001220179803 1315380244 /nfs/dbraw/zinc/38/02/44/1315380244.db2.gz SVTKVWXELLTLFJ-NRFANRHFSA-N 1 0 346.430 2.958 20 5 EFBDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC001254004019 1315664906 /nfs/dbraw/zinc/66/49/06/1315664906.db2.gz FGFZDSGSADATHR-OMVNSRBRSA-N 1 0 329.400 2.599 20 5 EFBDRO NC(=[NH2+])N(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466707 1315707177 /nfs/dbraw/zinc/70/71/77/1315707177.db2.gz MOAJQOBPWWAGKQ-UHFFFAOYSA-N 1 0 339.399 2.964 20 5 EFBDRO C[C@@]1(O)CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475139 1315707391 /nfs/dbraw/zinc/70/73/91/1315707391.db2.gz ATKFVYBKPYMOBO-GOSISDBHSA-N 1 0 333.432 2.801 20 5 EFBDRO CCN1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476098 1315707412 /nfs/dbraw/zinc/70/74/12/1315707412.db2.gz LWYJMYSDSBWSME-UHFFFAOYSA-N 1 0 332.448 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(C3)CCCOC4)CC2)cc1 ZINC001254474444 1315707445 /nfs/dbraw/zinc/70/74/45/1315707445.db2.gz QKIGLFFSVHNIMB-UHFFFAOYSA-N 1 0 331.416 2.676 20 5 EFBDRO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475022 1315707698 /nfs/dbraw/zinc/70/76/98/1315707698.db2.gz YIMWFWKQGKFENJ-LSDHHAIUSA-N 1 0 332.448 2.588 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC4(C3)CCCCO4)CC2)cc1 ZINC001254474397 1315707710 /nfs/dbraw/zinc/70/77/10/1315707710.db2.gz PHALCAYIKBYXJV-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254480509 1315707898 /nfs/dbraw/zinc/70/78/98/1315707898.db2.gz ICKOOWUFDDYFOG-GOSISDBHSA-N 1 0 333.432 2.920 20 5 EFBDRO CN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001254479774 1315707929 /nfs/dbraw/zinc/70/79/29/1315707929.db2.gz KZQOJAKVXXREDI-UHFFFAOYSA-N 1 0 332.448 2.590 20 5 EFBDRO CCOC(=O)CN(C1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481924 1315708691 /nfs/dbraw/zinc/70/86/91/1315708691.db2.gz GIFXVEIGCCNVOL-UHFFFAOYSA-N 1 0 347.415 2.591 20 5 EFBDRO O=C1CCC[C@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]12 ZINC001254482604 1315708879 /nfs/dbraw/zinc/70/88/79/1315708879.db2.gz LHOVBVYTVMSWON-KBXCAEBGSA-N 1 0 343.427 2.865 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001001105928 1315710080 /nfs/dbraw/zinc/71/00/80/1315710080.db2.gz BOHMWJSMDLPMTN-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001254532184 1315720613 /nfs/dbraw/zinc/72/06/13/1315720613.db2.gz KAKMPCFNQJDHFT-SWLSCSKDSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001254544134 1315721655 /nfs/dbraw/zinc/72/16/55/1315721655.db2.gz HPYYMSCOGBDEJD-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001254542536 1315721724 /nfs/dbraw/zinc/72/17/24/1315721724.db2.gz OUSMKQNKRGRAII-CZUORRHYSA-N 1 0 343.383 2.815 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001254542533 1315721766 /nfs/dbraw/zinc/72/17/66/1315721766.db2.gz OUSMKQNKRGRAII-BBRMVZONSA-N 1 0 343.383 2.815 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254542129 1315721955 /nfs/dbraw/zinc/72/19/55/1315721955.db2.gz MEIVERHJVKOANY-UGSOOPFHSA-N 1 0 330.384 2.858 20 5 EFBDRO CCc1nnc2ccc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cn21 ZINC001254545367 1315722169 /nfs/dbraw/zinc/72/21/69/1315722169.db2.gz MSTBNOUXZOPJBR-CYBMUJFWSA-N 1 0 339.399 2.921 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC001254547047 1315722244 /nfs/dbraw/zinc/72/22/44/1315722244.db2.gz UMDVKUNMDUWSHD-GFCCVEGCSA-N 1 0 331.347 2.893 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001254549020 1315722323 /nfs/dbraw/zinc/72/23/23/1315722323.db2.gz PPNJRPABSZLNJE-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1CCOCC1)C(C)(C)C ZINC001254548399 1315722331 /nfs/dbraw/zinc/72/23/31/1315722331.db2.gz IJIDNIPEQDBLIS-YJBOKZPZSA-N 1 0 349.475 2.862 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001254546070 1315722385 /nfs/dbraw/zinc/72/23/85/1315722385.db2.gz FFQSGBWZNVBVJX-MAUKXSAKSA-N 1 0 347.459 2.616 20 5 EFBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254553479 1315722642 /nfs/dbraw/zinc/72/26/42/1315722642.db2.gz VQSCCKMYJABURB-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001254552053 1315722727 /nfs/dbraw/zinc/72/27/27/1315722727.db2.gz INPOLPASXMHJBD-BXUZGUMPSA-N 1 0 332.322 2.773 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C1CCOCC1 ZINC001254549801 1315722762 /nfs/dbraw/zinc/72/27/62/1315722762.db2.gz WORZBBIUHMGGEW-AWEZNQCLSA-N 1 0 344.415 2.864 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001254552978 1315722802 /nfs/dbraw/zinc/72/28/02/1315722802.db2.gz QAENRACGICSUPK-RTXFEEFZSA-N 1 0 332.322 2.628 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001254552055 1315722988 /nfs/dbraw/zinc/72/29/88/1315722988.db2.gz INPOLPASXMHJBD-RISCZKNCSA-N 1 0 332.322 2.773 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001254557681 1315723183 /nfs/dbraw/zinc/72/31/83/1315723183.db2.gz QSILTBIWXPETHI-KBXCAEBGSA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)[C@@H]1CCC[NH2+]C1 ZINC001254560798 1315723236 /nfs/dbraw/zinc/72/32/36/1315723236.db2.gz YNSAAYLPQQFRKT-GOEBONIOSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001254558438 1315723316 /nfs/dbraw/zinc/72/33/16/1315723316.db2.gz FVHFSBJUGROINE-ZDUSSCGKSA-N 1 0 339.386 2.941 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nncn2C)CC1 ZINC001254558556 1315723330 /nfs/dbraw/zinc/72/33/30/1315723330.db2.gz FWFRYJXCFPWJSJ-ZDUSSCGKSA-N 1 0 329.404 2.534 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)[C@H]1CCC[NH2+]C1 ZINC001254560799 1315723579 /nfs/dbraw/zinc/72/35/79/1315723579.db2.gz YNSAAYLPQQFRKT-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@@H]3C[C@@H]4C[C@H]1C[C@](O)(C3)C4)C2 ZINC001254568352 1315724619 /nfs/dbraw/zinc/72/46/19/1315724619.db2.gz SUQVVPXVBGUCBP-WMNCJSAUSA-N 1 0 328.412 2.591 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC001254567905 1315724729 /nfs/dbraw/zinc/72/47/29/1315724729.db2.gz QPUBMSLCKIRISC-OAHLLOKOSA-N 1 0 328.368 2.869 20 5 EFBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCS1 ZINC001254564837 1315724867 /nfs/dbraw/zinc/72/48/67/1315724867.db2.gz NLENWTUTOAVDDT-DOMZBBRYSA-N 1 0 338.429 2.506 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC001254569823 1315725156 /nfs/dbraw/zinc/72/51/56/1315725156.db2.gz LFQCPOIIWRHRMD-GDBMZVCRSA-N 1 0 342.399 2.778 20 5 EFBDRO Cc1ccnc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254571521 1315725315 /nfs/dbraw/zinc/72/53/15/1315725315.db2.gz XCNRQFAYVHOPCB-GDBMZVCRSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001254569094 1315725410 /nfs/dbraw/zinc/72/54/10/1315725410.db2.gz HTGKSGBHCDTQCK-HOCLYGCPSA-N 1 0 342.399 2.859 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001254577589 1315726653 /nfs/dbraw/zinc/72/66/53/1315726653.db2.gz FPHCPXCPVKEQPV-MJUUVYJYSA-N 1 0 349.434 2.782 20 5 EFBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)OCc1ccccc1 ZINC001254577221 1315726695 /nfs/dbraw/zinc/72/66/95/1315726695.db2.gz DJDNHCVFVREWMH-QGZVFWFLSA-N 1 0 340.379 2.785 20 5 EFBDRO COC(=O)c1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254582448 1315726832 /nfs/dbraw/zinc/72/68/32/1315726832.db2.gz UTJAIXCZVHUDMK-QGZVFWFLSA-N 1 0 340.379 2.681 20 5 EFBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254581647 1315727024 /nfs/dbraw/zinc/72/70/24/1315727024.db2.gz PPCYBVPGYPPKQI-XEZPLFJOSA-N 1 0 332.400 2.631 20 5 EFBDRO Cn1cc(-c2cc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccn2)cn1 ZINC001254579969 1315727119 /nfs/dbraw/zinc/72/71/19/1315727119.db2.gz XVHAZBSDEFXZEI-QGZVFWFLSA-N 1 0 349.394 2.647 20 5 EFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580262 1315727129 /nfs/dbraw/zinc/72/71/29/1315727129.db2.gz CVKKGQJSGOJXEP-WFASDCNBSA-N 1 0 349.431 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C2 ZINC001254581109 1315727141 /nfs/dbraw/zinc/72/71/41/1315727141.db2.gz KLIMYOSFVWRNFQ-UYAOXDASSA-N 1 0 337.423 2.926 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584636 1315727355 /nfs/dbraw/zinc/72/73/55/1315727355.db2.gz SSUIXFQOYLAFTB-KFWWJZLASA-N 1 0 347.415 2.707 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582750 1315727603 /nfs/dbraw/zinc/72/76/03/1315727603.db2.gz WVSSSDQGLNLZTF-SWLSCSKDSA-N 1 0 349.431 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCN(c3ccccn3)C1)C2 ZINC001254584374 1315727618 /nfs/dbraw/zinc/72/76/18/1315727618.db2.gz HLMGOKBDNHFAOP-IAGOWNOFSA-N 1 0 338.411 2.716 20 5 EFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586620 1315727753 /nfs/dbraw/zinc/72/77/53/1315727753.db2.gz QYIMYXSJUHITJK-ROUUACIJSA-N 1 0 326.396 2.564 20 5 EFBDRO N[C@H]([C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(F)(F)F ZINC001254587790 1315727862 /nfs/dbraw/zinc/72/78/62/1315727862.db2.gz BAQIGYIIKPTHNE-KCPJHIHWSA-N 1 0 343.349 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cn(CC3CCC3)cn1)C2 ZINC001254586495 1315727892 /nfs/dbraw/zinc/72/78/92/1315727892.db2.gz KKSGZIPZUCTFNP-MRXNPFEDSA-N 1 0 326.400 2.848 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585348 1315728121 /nfs/dbraw/zinc/72/81/21/1315728121.db2.gz VNZIHPKOGJWSLY-SMDDNHRTSA-N 1 0 335.404 2.565 20 5 EFBDRO COc1cccnc1C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587209 1315728126 /nfs/dbraw/zinc/72/81/26/1315728126.db2.gz NYIXDBBKUJRGQH-OAHLLOKOSA-N 1 0 339.395 2.787 20 5 EFBDRO COC(=O)[C@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254590638 1315728271 /nfs/dbraw/zinc/72/82/71/1315728271.db2.gz YDQUNRRQMOGEJQ-SJLPKXTDSA-N 1 0 340.379 2.608 20 5 EFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593539 1315728414 /nfs/dbraw/zinc/72/84/14/1315728414.db2.gz MSAQSQRLHBLNNM-INIZCTEOSA-N 1 0 349.431 2.909 20 5 EFBDRO O=C1Nc2ccccc2[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254593158 1315728529 /nfs/dbraw/zinc/72/85/29/1315728529.db2.gz JOKAVPUTQOHHEA-NXHRZFHOSA-N 1 0 349.390 2.730 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254590035 1315728554 /nfs/dbraw/zinc/72/85/54/1315728554.db2.gz SVWKAFMIVYANSK-AWEZNQCLSA-N 1 0 347.415 2.709 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597420 1315728996 /nfs/dbraw/zinc/72/89/96/1315728996.db2.gz VNOSVYUNWGBNAD-JXFKEZNVSA-N 1 0 349.390 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001254595432 1315729250 /nfs/dbraw/zinc/72/92/50/1315729250.db2.gz XFBVIICCOPXHQG-FQEVSTJZSA-N 1 0 337.423 2.880 20 5 EFBDRO CCOC(=O)[C@H]1C[C@H](C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603562 1315729485 /nfs/dbraw/zinc/72/94/85/1315729485.db2.gz OCJNWCUSACIQLL-OAUYIBNBSA-N 1 0 332.400 2.726 20 5 EFBDRO COC(=O)CN(Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602985 1315729615 /nfs/dbraw/zinc/72/96/15/1315729615.db2.gz JNWNXYMLAUHCSE-GOSISDBHSA-N 1 0 340.379 2.737 20 5 EFBDRO Cc1ccc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254602623 1315729794 /nfs/dbraw/zinc/72/97/94/1315729794.db2.gz HDNZQOPNEPGGMU-GOSISDBHSA-N 1 0 338.411 2.588 20 5 EFBDRO CCOC(=O)C1(C)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602062 1315729829 /nfs/dbraw/zinc/72/98/29/1315729829.db2.gz AEDYJBUEGFIOJK-INIZCTEOSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001254607979 1315730119 /nfs/dbraw/zinc/73/01/19/1315730119.db2.gz OAKDVANVMFYJJG-FPOVZHCZSA-N 1 0 349.434 2.977 20 5 EFBDRO Cc1noc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605515 1315730163 /nfs/dbraw/zinc/73/01/63/1315730163.db2.gz AXRVQLUEOAMEKE-INIZCTEOSA-N 1 0 328.372 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3nc(C4CC4)ncc3C1)C2 ZINC001254609322 1315731049 /nfs/dbraw/zinc/73/10/49/1315731049.db2.gz VJGRBIYPWZCHNX-QGZVFWFLSA-N 1 0 336.395 2.788 20 5 EFBDRO CCc1nc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)no1 ZINC001254608352 1315731202 /nfs/dbraw/zinc/73/12/02/1315731202.db2.gz QVZCBGOXPJIFGF-INIZCTEOSA-N 1 0 342.399 2.887 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ccccn1)C1CC[NH2+]CC1)C2 ZINC001254610605 1315731262 /nfs/dbraw/zinc/73/12/62/1315731262.db2.gz LRSMTTCKKTXQJI-GOSISDBHSA-N 1 0 338.411 2.716 20 5 EFBDRO CCc1noc([C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254609588 1315731334 /nfs/dbraw/zinc/73/13/34/1315731334.db2.gz XYWPJMYQYKVFKG-CZUORRHYSA-N 1 0 342.399 2.887 20 5 EFBDRO CC(=O)N1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2CC2)CC1 ZINC001039480056 1315822920 /nfs/dbraw/zinc/82/29/20/1315822920.db2.gz DQYNCVLNDFQHML-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256084752 1315902734 /nfs/dbraw/zinc/90/27/34/1315902734.db2.gz HITDPCWMSNFQLF-AWEZNQCLSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC001256082181 1315902952 /nfs/dbraw/zinc/90/29/52/1315902952.db2.gz AIOKPKWEEGWXPD-UHFFFAOYSA-N 1 0 348.428 2.819 20 5 EFBDRO COc1cc(N2CCC([NH2+]C(C)(C)C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256082990 1315903104 /nfs/dbraw/zinc/90/31/04/1315903104.db2.gz LYGVKTYKPGRGAY-UHFFFAOYSA-N 1 0 335.404 2.529 20 5 EFBDRO COc1cc(N2CCC(n3cccc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256086956 1315903522 /nfs/dbraw/zinc/90/35/22/1315903522.db2.gz KBZMYSLVXBLKAL-UHFFFAOYSA-N 1 0 330.388 2.705 20 5 EFBDRO COCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CCC1 ZINC001256087354 1315903664 /nfs/dbraw/zinc/90/36/64/1315903664.db2.gz XZDMHOBERYBYHI-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093260 1315903723 /nfs/dbraw/zinc/90/37/23/1315903723.db2.gz IXEYPLBPTGJZEU-CQSZACIVSA-N 1 0 349.431 2.541 20 5 EFBDRO CC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100453 1315904497 /nfs/dbraw/zinc/90/44/97/1315904497.db2.gz GEUSTUNZDBJDKA-ZDUSSCGKSA-N 1 0 337.420 2.587 20 5 EFBDRO CCOC(=O)c1cnccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001256389096 1315934180 /nfs/dbraw/zinc/93/41/80/1315934180.db2.gz YVSCQKDYLPRKLX-UHFFFAOYSA-N 1 0 335.747 2.854 20 5 EFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001318489553 1328615337 /nfs/dbraw/zinc/61/53/37/1328615337.db2.gz CWGYCAZHLVIVAB-UHFFFAOYSA-N 1 0 341.302 2.875 20 5 EFBDRO Cc1cc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)ccc1[N+](=O)[O-] ZINC001258018870 1316111784 /nfs/dbraw/zinc/11/17/84/1316111784.db2.gz HNFMGNQAMQOBKL-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cccc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c1[N+](=O)[O-] ZINC001258019418 1316112089 /nfs/dbraw/zinc/11/20/89/1316112089.db2.gz NPFWVPOSEAVSDM-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1-c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258020918 1316112522 /nfs/dbraw/zinc/11/25/22/1316112522.db2.gz UXGPDDGDJAHXMB-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO O=C(C1CC1)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040567999 1316325192 /nfs/dbraw/zinc/32/51/92/1316325192.db2.gz OAKSHKXPUOKKTP-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261493864 1316415608 /nfs/dbraw/zinc/41/56/08/1316415608.db2.gz UWXYUARWGZYOMW-UHFFFAOYSA-N 1 0 331.416 2.817 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001262014064 1316443509 /nfs/dbraw/zinc/44/35/09/1316443509.db2.gz VUQIVJNCTXKKSK-UHFFFAOYSA-N 1 0 329.404 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN(CCO)C2CCC2)c1 ZINC001262272145 1316458180 /nfs/dbraw/zinc/45/81/80/1316458180.db2.gz NRTJMACJKWDGLT-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCCC[NH3+] ZINC001263179196 1316520638 /nfs/dbraw/zinc/52/06/38/1316520638.db2.gz HSZRLKUQJLRPHB-UHFFFAOYSA-N 1 0 325.434 2.908 20 5 EFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263179327 1316520508 /nfs/dbraw/zinc/52/05/08/1316520508.db2.gz KHBKKJGIRFAWJQ-ZBFHGGJFSA-N 1 0 337.807 2.582 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001263628799 1316552641 /nfs/dbraw/zinc/55/26/41/1316552641.db2.gz IVSZAPGZTKEPOS-IUODEOHRSA-N 1 0 348.403 2.694 20 5 EFBDRO NC(=O)C1=NO[C@@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]12 ZINC001280130389 1317461169 /nfs/dbraw/zinc/46/11/69/1317461169.db2.gz GBBHMXMTLQJTLR-RBUKOAKNSA-N 1 0 345.402 2.665 20 5 EFBDRO CS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001319327471 1328850866 /nfs/dbraw/zinc/85/08/66/1328850866.db2.gz ZEMPZTFTLJXGPK-ZFWWWQNUSA-N 1 0 349.456 2.700 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001319327468 1328851056 /nfs/dbraw/zinc/85/10/56/1328851056.db2.gz ZEMPZTFTLJXGPK-DZGCQCFKSA-N 1 0 349.456 2.700 20 5 EFBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC001319404371 1328874323 /nfs/dbraw/zinc/87/43/23/1328874323.db2.gz NGSRCEXEUGVIKP-AAEUAGOBSA-N 1 0 335.433 2.821 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC001319996501 1329052458 /nfs/dbraw/zinc/05/24/58/1329052458.db2.gz VMAVFCCUJXJLFO-SFHVURJKSA-N 1 0 341.415 2.586 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001320857457 1329311115 /nfs/dbraw/zinc/31/11/15/1329311115.db2.gz LSVMICIDPZSZHF-CHWSQXEVSA-N 1 0 336.392 2.598 20 5 EFBDRO COc1ccc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001320857765 1329311156 /nfs/dbraw/zinc/31/11/56/1329311156.db2.gz PNGHQWQYJWRUCO-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc(CCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001321125430 1329346089 /nfs/dbraw/zinc/34/60/89/1329346089.db2.gz SZOFUYBMEMOMDG-OAHLLOKOSA-N 1 0 328.372 2.572 20 5 EFBDRO O=[N+]([O-])c1cccc(CCc2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001321125429 1329346140 /nfs/dbraw/zinc/34/61/40/1329346140.db2.gz SZOFUYBMEMOMDG-HNNXBMFYSA-N 1 0 328.372 2.572 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001321283107 1329368105 /nfs/dbraw/zinc/36/81/05/1329368105.db2.gz PJUHNGLIESLFCK-INIZCTEOSA-N 1 0 328.372 2.874 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC001318008269 1328474719 /nfs/dbraw/zinc/47/47/19/1328474719.db2.gz CBAKFWHNTBEIAM-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001322706197 1329481308 /nfs/dbraw/zinc/48/13/08/1329481308.db2.gz ODYRYYJQNQZKAS-INIZCTEOSA-N 1 0 326.400 2.797 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001322750945 1329485167 /nfs/dbraw/zinc/48/51/67/1329485167.db2.gz BSEMBRAXNNTAME-INIZCTEOSA-N 1 0 326.400 2.654 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001323716242 1329564317 /nfs/dbraw/zinc/56/43/17/1329564317.db2.gz WRARALAROBGJNY-BFHYXJOUSA-N 1 0 340.445 2.550 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001323989711 1329589598 /nfs/dbraw/zinc/58/95/98/1329589598.db2.gz DLLUAUPETOUIOZ-KGLIPLIRSA-N 1 0 329.404 2.566 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001323990681 1329589629 /nfs/dbraw/zinc/58/96/29/1329589629.db2.gz LRLNSHKXHUQVBL-XOKHGSTOSA-N 1 0 348.447 2.774 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001324400789 1329623939 /nfs/dbraw/zinc/62/39/39/1329623939.db2.gz VZKBZIRIPQXQCV-CVEARBPZSA-N 1 0 347.415 2.547 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)cc2)CC1 ZINC001324706975 1329652904 /nfs/dbraw/zinc/65/29/04/1329652904.db2.gz AIQGSRBWUVQAJK-UHFFFAOYSA-N 1 0 342.403 2.579 20 5 EFBDRO C[C@@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001325197619 1329674985 /nfs/dbraw/zinc/67/49/85/1329674985.db2.gz WEAXGHVMGMAYFP-PWSUYJOCSA-N 1 0 343.221 2.950 20 5 EFBDRO C[C@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001325197616 1329675007 /nfs/dbraw/zinc/67/50/07/1329675007.db2.gz WEAXGHVMGMAYFP-CMPLNLGQSA-N 1 0 343.221 2.950 20 5 EFBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001325844613 1329716000 /nfs/dbraw/zinc/71/60/00/1329716000.db2.gz ZDQBNYIUELSDCG-IAGOWNOFSA-N 1 0 334.347 2.745 20 5 EFBDRO CC(C)c1noc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001326560902 1330317903 /nfs/dbraw/zinc/31/79/03/1330317903.db2.gz JKBRPVHEDFKPMB-CHWSQXEVSA-N 1 0 348.407 2.614 20 5 EFBDRO CC(C)(C)[NH+]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC001326795844 1330365442 /nfs/dbraw/zinc/36/54/42/1330365442.db2.gz MGGRXWLUPNWDMZ-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC001326806573 1330366751 /nfs/dbraw/zinc/36/67/51/1330366751.db2.gz WCJLXGCUJAHNLG-PXAZEXFGSA-N 1 0 325.368 2.773 20 5 EFBDRO C[C@H]1CCCN(C(=O)CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC001326845694 1330372988 /nfs/dbraw/zinc/37/29/88/1330372988.db2.gz WYVDMDXIXFZTRB-BBRMVZONSA-N 1 0 331.416 2.820 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001327953460 1330534085 /nfs/dbraw/zinc/53/40/85/1330534085.db2.gz JBWJAEURMDBNKC-LBPRGKRZSA-N 1 0 337.807 2.867 20 5 EFBDRO CN1CC[NH+](C(C)(C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001327983765 1330538203 /nfs/dbraw/zinc/53/82/03/1330538203.db2.gz XCTUYCPCMQKDMU-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC001328523410 1330599701 /nfs/dbraw/zinc/59/97/01/1330599701.db2.gz AWSUFZKJBSYWOY-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001329519715 1330714870 /nfs/dbraw/zinc/71/48/70/1330714870.db2.gz GZSLVFYIJFQSNV-UHFFFAOYSA-N 1 0 337.379 2.752 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001329673944 1330727581 /nfs/dbraw/zinc/72/75/81/1330727581.db2.gz OJBVNSSZNXMMKT-SNVBAGLBSA-N 1 0 335.795 2.757 20 5 EFBDRO Cn1ccnc1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC001331220012 1330806803 /nfs/dbraw/zinc/80/68/03/1330806803.db2.gz AVZQBPZEFZDBGR-HNNXBMFYSA-N 1 0 344.415 2.656 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001331274088 1330813721 /nfs/dbraw/zinc/81/37/21/1330813721.db2.gz CXOPBOQVYBRKDX-FZMZJTMJSA-N 1 0 336.367 2.682 20 5 EFBDRO C[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001331551954 1330851753 /nfs/dbraw/zinc/85/17/53/1330851753.db2.gz ZNHJFZTUAXVIJA-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333377760 1331129044 /nfs/dbraw/zinc/12/90/44/1331129044.db2.gz AIFOUXSYZPRSSA-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501843 1331155990 /nfs/dbraw/zinc/15/59/90/1331155990.db2.gz FGIAIIGNYXSMBS-WCQYABFASA-N 1 0 336.367 2.824 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001333679674 1331193433 /nfs/dbraw/zinc/19/34/33/1331193433.db2.gz IMMVKBNXMUXSEM-SJCJKPOMSA-N 1 0 346.387 2.956 20 5 EFBDRO C[C@@H]1C[N@H+](CCCNCc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC001333719557 1331201118 /nfs/dbraw/zinc/20/11/18/1331201118.db2.gz RDPCVMWNMYEZAM-CYBMUJFWSA-N 1 0 341.839 2.839 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001334076670 1331245670 /nfs/dbraw/zinc/24/56/70/1331245670.db2.gz VTNCFOVWRUQLNY-SNVBAGLBSA-N 1 0 326.372 2.832 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001334142961 1331255527 /nfs/dbraw/zinc/25/55/27/1331255527.db2.gz XBRMCOPMCCFXAG-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239297 1331269670 /nfs/dbraw/zinc/26/96/70/1331269670.db2.gz JEWZNRHKLMCBML-CVEARBPZSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001335230356 1331335844 /nfs/dbraw/zinc/33/58/44/1331335844.db2.gz PNZFKDKWAFWFCQ-CJNGLKHVSA-N 1 0 332.404 2.536 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001336222596 1331448177 /nfs/dbraw/zinc/44/81/77/1331448177.db2.gz ALWQWZRCFWRGRO-LLVKDONJSA-N 1 0 343.786 2.530 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336460769 1331475923 /nfs/dbraw/zinc/47/59/23/1331475923.db2.gz AYVWPDSGYJPYSR-JKSUJKDBSA-N 1 0 347.415 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)cc1 ZINC001336703618 1331494134 /nfs/dbraw/zinc/49/41/34/1331494134.db2.gz LRXZYQHMMWXIRT-IBGZPJMESA-N 1 0 339.395 2.794 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001336722645 1331496198 /nfs/dbraw/zinc/49/61/98/1331496198.db2.gz LGENTQZBGBTHTD-KDOFPFPSSA-N 1 0 345.399 2.716 20 5 EFBDRO Cc1nc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001336930887 1331518605 /nfs/dbraw/zinc/51/86/05/1331518605.db2.gz NNLZKIVIFAVKLT-CQSZACIVSA-N 1 0 327.388 2.576 20 5 EFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336984470 1331523840 /nfs/dbraw/zinc/52/38/40/1331523840.db2.gz RTFHEUOPQXEMDQ-JKSUJKDBSA-N 1 0 344.415 2.526 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001337628968 1331588630 /nfs/dbraw/zinc/58/86/30/1331588630.db2.gz KFDRDOYWEJTSIM-UHFFFAOYSA-N 1 0 346.431 2.725 20 5 EFBDRO Cc1occc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001337704556 1331593438 /nfs/dbraw/zinc/59/34/38/1331593438.db2.gz SWDUWPVRUCVHHY-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338823651 1331741812 /nfs/dbraw/zinc/74/18/12/1331741812.db2.gz HBNLQNSEGSBJQW-WFASDCNBSA-N 1 0 332.404 2.764 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001338825791 1331742109 /nfs/dbraw/zinc/74/21/09/1331742109.db2.gz WVMLOSQCASGQJA-GXTWGEPZSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001338825794 1331742240 /nfs/dbraw/zinc/74/22/40/1331742240.db2.gz WVMLOSQCASGQJA-TZMCWYRMSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001339608440 1331911445 /nfs/dbraw/zinc/91/14/45/1331911445.db2.gz BEXKIHNNONVDMX-WBMJQRKESA-N 1 0 346.431 2.628 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340209362 1332154741 /nfs/dbraw/zinc/15/47/41/1332154741.db2.gz KEIDNYIXAFSMDT-IAGOWNOFSA-N 1 0 346.431 2.535 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3n1CC[NH2+][C@H]3C)CC2 ZINC001340427315 1332192999 /nfs/dbraw/zinc/19/29/99/1332192999.db2.gz DJUCJSORFRRWJB-LBPRGKRZSA-N 1 0 340.383 2.572 20 5 EFBDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001340801278 1332206543 /nfs/dbraw/zinc/20/65/43/1332206543.db2.gz MSILIARIKNQLGB-LSDHHAIUSA-N 1 0 337.445 2.774 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001340936937 1332221214 /nfs/dbraw/zinc/22/12/14/1332221214.db2.gz SCEDOVGSMGYXFL-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001341305332 1332249886 /nfs/dbraw/zinc/24/98/86/1332249886.db2.gz CWWKVCNGNZNQRE-RISCZKNCSA-N 1 0 337.445 2.906 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001341316769 1332250996 /nfs/dbraw/zinc/25/09/96/1332250996.db2.gz ABFHSXBIYZVTQR-UHFFFAOYSA-N 1 0 331.416 2.718 20 5 EFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001341469704 1332261877 /nfs/dbraw/zinc/26/18/77/1332261877.db2.gz RIDVDOJUEYUMTN-SRVKXCTJSA-N 1 0 337.807 2.519 20 5 EFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001341557628 1332268235 /nfs/dbraw/zinc/26/82/35/1332268235.db2.gz AHSJUADIDQYLNO-LLVKDONJSA-N 1 0 345.321 2.876 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)CCSCCC[NH3+])cc1[N+](=O)[O-] ZINC001341615015 1332271468 /nfs/dbraw/zinc/27/14/68/1332271468.db2.gz JBOZZZYGDRRXHZ-GFCCVEGCSA-N 1 0 325.434 2.553 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001341688801 1332277231 /nfs/dbraw/zinc/27/72/31/1332277231.db2.gz MCYGXCQALHBWPK-OLZOCXBDSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCC12CCC2)c1ccccc1[N+](=O)[O-] ZINC001342943895 1332336905 /nfs/dbraw/zinc/33/69/05/1332336905.db2.gz NBSQIIHQJZWGCU-UKRRQHHQSA-N 1 0 331.416 2.594 20 5 EFBDRO COC(=O)COc1ccc(CN2CC(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001343506407 1332351909 /nfs/dbraw/zinc/35/19/09/1332351909.db2.gz BFNFCUSVNFETMB-UHFFFAOYSA-N 1 0 336.388 2.767 20 5 EFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001343505962 1332352169 /nfs/dbraw/zinc/35/21/69/1332352169.db2.gz PLCJGFLWUAVVLV-HUUCEWRRSA-N 1 0 349.406 2.515 20 5 EFBDRO CSCC[C@H]([NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001343879329 1332387681 /nfs/dbraw/zinc/38/76/81/1332387681.db2.gz CDWGMOGERQFAFF-ZDUSSCGKSA-N 1 0 337.445 2.556 20 5 EFBDRO COCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001344824623 1332485793 /nfs/dbraw/zinc/48/57/93/1332485793.db2.gz IICNGRAQODZKDN-LBPRGKRZSA-N 1 0 333.344 2.752 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001344876581 1332490601 /nfs/dbraw/zinc/49/06/01/1332490601.db2.gz XGRMQZZRXBDBKY-KRWDZBQOSA-N 1 0 332.404 2.853 20 5 EFBDRO [NH3+][C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC001346046506 1332594667 /nfs/dbraw/zinc/59/46/67/1332594667.db2.gz KOAOMFJUWHDOTP-AWEZNQCLSA-N 1 0 325.796 2.772 20 5 EFBDRO Cc1cn2c(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC001346110953 1332600440 /nfs/dbraw/zinc/60/04/40/1332600440.db2.gz WHRQTLGKECWHBA-OAHLLOKOSA-N 1 0 346.412 2.744 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001346124098 1332601729 /nfs/dbraw/zinc/60/17/29/1332601729.db2.gz ZPCHTNMONFUTGT-KSSFIOAISA-N 1 0 329.400 2.761 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+](CC3CCCC3)CC2)c1 ZINC001346123721 1332601823 /nfs/dbraw/zinc/60/18/23/1332601823.db2.gz VNANEOWQGBOZAD-LJQANCHMSA-N 1 0 347.459 2.872 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(C(N)=O)cc1 ZINC001347177949 1332722029 /nfs/dbraw/zinc/72/20/29/1332722029.db2.gz CHWVHZZOVGHUMO-UHFFFAOYSA-N 1 0 343.383 2.724 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)c1 ZINC001347278232 1332730839 /nfs/dbraw/zinc/73/08/39/1332730839.db2.gz CXURBIKMXAZMQG-MRXNPFEDSA-N 1 0 343.358 2.829 20 5 EFBDRO COc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001347483140 1332749625 /nfs/dbraw/zinc/74/96/25/1332749625.db2.gz BRDITWDBMBINJD-UHFFFAOYSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCc4c3cccc4[N+](=O)[O-])C[N@@H+]2C1 ZINC001347733842 1332769067 /nfs/dbraw/zinc/76/90/67/1332769067.db2.gz JIIPKBCWPZRWOK-MGPQQGTHSA-N 1 0 329.400 2.604 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001347891149 1332782117 /nfs/dbraw/zinc/78/21/17/1332782117.db2.gz RTPRNXKNSSYGRD-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001348666705 1332858038 /nfs/dbraw/zinc/85/80/38/1332858038.db2.gz NAAXXTCKGHNPEH-UHFFFAOYSA-N 1 0 344.346 2.528 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001349118922 1332907235 /nfs/dbraw/zinc/90/72/35/1332907235.db2.gz KCCVOPAXCBDSNR-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+]1CCOCC1 ZINC001349978708 1333021265 /nfs/dbraw/zinc/02/12/65/1333021265.db2.gz BYNRLOYOPBWTGV-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC001350441854 1333083098 /nfs/dbraw/zinc/08/30/98/1333083098.db2.gz WNDFBKWYMAWLFL-ZDUSSCGKSA-N 1 0 348.403 2.695 20 5 EFBDRO CC(C)OC(=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847076907 1333312596 /nfs/dbraw/zinc/31/25/96/1333312596.db2.gz POFLTSANUNOLHT-HOTGVXAUSA-N 1 0 338.404 2.584 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000847253405 1333447943 /nfs/dbraw/zinc/44/79/43/1333447943.db2.gz DESIUWQQWXLIHP-HIFRSBDPSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000847254933 1333448815 /nfs/dbraw/zinc/44/88/15/1333448815.db2.gz HXUKAIDLRVLMMB-KGLIPLIRSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000847255365 1333450441 /nfs/dbraw/zinc/45/04/41/1333450441.db2.gz KOZFYRKVVKXGNC-ZIAGYGMSSA-N 1 0 339.342 2.620 20 5 EFBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1(C)C ZINC001353198770 1334004528 /nfs/dbraw/zinc/00/45/28/1334004528.db2.gz LBKJZNPPOIXDTF-UHFFFAOYSA-N 1 0 337.811 2.581 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001354510573 1334341094 /nfs/dbraw/zinc/34/10/94/1334341094.db2.gz AETAILUCRLJNHG-GFCCVEGCSA-N 1 0 341.367 2.696 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479530 1334737845 /nfs/dbraw/zinc/73/78/45/1334737845.db2.gz DMHYXQGOGLXPNA-GOSISDBHSA-N 1 0 343.431 2.688 20 5 EFBDRO COC1(C)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848483422 1334739452 /nfs/dbraw/zinc/73/94/52/1334739452.db2.gz FZRZYRYMCOOKMZ-UHFFFAOYSA-N 1 0 330.388 2.917 20 5 EFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483117 1334739485 /nfs/dbraw/zinc/73/94/85/1334739485.db2.gz YRQCAVSNCZNPSY-ZFWWWQNUSA-N 1 0 330.388 2.651 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487230 1334743193 /nfs/dbraw/zinc/74/31/93/1334743193.db2.gz POOVZIUBTGQPFZ-QGZVFWFLSA-N 1 0 330.388 2.917 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000848489625 1334746278 /nfs/dbraw/zinc/74/62/78/1334746278.db2.gz PUEKYLBAOYSDCS-DYVFJYSZSA-N 1 0 328.372 2.527 20 5 EFBDRO Cc1c(Cc2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)cccc1[N+](=O)[O-] ZINC000848623041 1334815616 /nfs/dbraw/zinc/81/56/16/1334815616.db2.gz DUEAHHFLAPIAMH-SUMWQHHRSA-N 1 0 328.372 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000848793550 1334901785 /nfs/dbraw/zinc/90/17/85/1334901785.db2.gz LTEREOATVMJNTA-ZDUSSCGKSA-N 1 0 339.823 2.939 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001356174705 1334982922 /nfs/dbraw/zinc/98/29/22/1334982922.db2.gz AQWBHFDYGUXPGT-UHFFFAOYSA-N 1 0 335.429 2.707 20 5 EFBDRO COc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001356534367 1335049809 /nfs/dbraw/zinc/04/98/09/1335049809.db2.gz LZVSSLDQXZEKCA-CVEARBPZSA-N 1 0 344.367 2.750 20 5 EFBDRO COc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001356534370 1335050227 /nfs/dbraw/zinc/05/02/27/1335050227.db2.gz LZVSSLDQXZEKCA-JKSUJKDBSA-N 1 0 344.367 2.750 20 5 EFBDRO Cc1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001356538190 1335050582 /nfs/dbraw/zinc/05/05/82/1335050582.db2.gz QRYRYIXVNDEJCO-UHFFFAOYSA-N 1 0 328.372 2.882 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001357644853 1335322089 /nfs/dbraw/zinc/32/20/89/1335322089.db2.gz ZDPAPCWCJUJXLJ-UTUOFQBUSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001358394685 1335376162 /nfs/dbraw/zinc/37/61/62/1335376162.db2.gz RHIWSYMXJHYNIY-DCGLDWPTSA-N 1 0 349.456 2.805 20 5 EFBDRO CC(C)=C(C)CC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001753220143 1426328108 /nfs/dbraw/zinc/32/81/08/1426328108.db2.gz DZMWMYBLWMMHDV-UHFFFAOYSA-N 1 0 325.434 2.951 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001020445773 713017166 /nfs/dbraw/zinc/01/71/66/713017166.db2.gz VADWHHVICFGMEZ-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020473941 713051967 /nfs/dbraw/zinc/05/19/67/713051967.db2.gz HADAIQSVCBCZOD-HAQNSBGRSA-N 1 0 335.385 2.608 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001020487662 713068324 /nfs/dbraw/zinc/06/83/24/713068324.db2.gz JZHZABCVSICMPR-SHTZXODSSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CCC2)C1 ZINC001020487908 713068858 /nfs/dbraw/zinc/06/88/58/713068858.db2.gz VXTKQNQXSHIBON-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001020488892 713071137 /nfs/dbraw/zinc/07/11/37/713071137.db2.gz OGBFZAJSOYKKNY-SHTZXODSSA-N 1 0 331.416 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1occc1Cl ZINC001020552027 713159152 /nfs/dbraw/zinc/15/91/52/713159152.db2.gz UVZUAXAKFJVZCY-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(F)s1 ZINC001021123332 713586868 /nfs/dbraw/zinc/58/68/68/713586868.db2.gz BGQXRMTZHQIRLF-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCOC1 ZINC000235525175 717915573 /nfs/dbraw/zinc/91/55/73/717915573.db2.gz AFIRBHHHQOLKSW-GXSJLCMTSA-N 1 0 329.194 2.872 20 5 EFBDRO O=C(Cc1cccs1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021782911 714472865 /nfs/dbraw/zinc/47/28/65/714472865.db2.gz XFGVOXONYNYMAN-OKILXGFUSA-N 1 0 345.424 2.636 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001021785579 714474617 /nfs/dbraw/zinc/47/46/17/714474617.db2.gz KJEGSPZHQFOPNT-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021789839 714478474 /nfs/dbraw/zinc/47/84/74/714478474.db2.gz TYABTKOIRIGDGV-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001021791244 714479655 /nfs/dbraw/zinc/47/96/55/714479655.db2.gz CCQZZUJIYWEYNU-BETUJISGSA-N 1 0 331.397 2.707 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001021800853 714489657 /nfs/dbraw/zinc/48/96/57/714489657.db2.gz JULINJFOYFHWFF-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001021803548 714493604 /nfs/dbraw/zinc/49/36/04/714493604.db2.gz MNEVGKPTEIFGOO-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001021804922 714494643 /nfs/dbraw/zinc/49/46/43/714494643.db2.gz NUXSARJWWWKVCO-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021816005 714514503 /nfs/dbraw/zinc/51/45/03/714514503.db2.gz ZVFIONUKCLGKRM-TXEJJXNPSA-N 1 0 335.385 2.608 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021837587 714552040 /nfs/dbraw/zinc/55/20/40/714552040.db2.gz RDVKAXDVUJMOGR-TXEJJXNPSA-N 1 0 335.385 2.608 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001021936080 714605069 /nfs/dbraw/zinc/60/50/69/714605069.db2.gz HDPRLKXJUCSBJD-BETUJISGSA-N 1 0 349.412 2.917 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)oc1C ZINC001021968446 714621150 /nfs/dbraw/zinc/62/11/50/714621150.db2.gz QXWDQDYFESMVST-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccoc1Cl ZINC001022011329 714646902 /nfs/dbraw/zinc/64/69/02/714646902.db2.gz FYBFBPWYFDNHQN-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022029043 714664406 /nfs/dbraw/zinc/66/44/06/714664406.db2.gz OPKCFEZJHFCGJY-TXEJJXNPSA-N 1 0 349.412 2.862 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)=C1CCC1 ZINC001022057635 714705975 /nfs/dbraw/zinc/70/59/75/714705975.db2.gz RNKHTPVORNWIKF-IYBDPMFKSA-N 1 0 329.400 2.832 20 5 EFBDRO CC(C)[NH+](CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(C)C ZINC000891451441 714753545 /nfs/dbraw/zinc/75/35/45/714753545.db2.gz UYLXKMHLWIMVIV-UHFFFAOYSA-N 1 0 346.431 2.977 20 5 EFBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2OC)[NH+](C)C)c1 ZINC000891502411 714789061 /nfs/dbraw/zinc/78/90/61/714789061.db2.gz WLCPESFVNAAKOP-OAHLLOKOSA-N 1 0 346.387 2.722 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1C=CC=CC=C1 ZINC001022146367 714823801 /nfs/dbraw/zinc/82/38/01/714823801.db2.gz COIZWVHTNYELIC-CALCHBBNSA-N 1 0 339.395 2.630 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000891647347 714896437 /nfs/dbraw/zinc/89/64/37/714896437.db2.gz NUKVKHQAJYEPEF-XHSDSOJGSA-N 1 0 332.404 2.582 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000891650480 714900898 /nfs/dbraw/zinc/90/08/98/714900898.db2.gz QSFWIGCRKONBOP-UGQVUOCMSA-N 1 0 346.431 2.794 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255382915 714922301 /nfs/dbraw/zinc/92/23/01/714922301.db2.gz RILQHCINUHLDAO-AFCDSYGPSA-N 1 0 348.399 2.508 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001022334634 715020632 /nfs/dbraw/zinc/02/06/32/715020632.db2.gz TUBWTWJCSBFMQR-TXEJJXNPSA-N 1 0 341.408 2.675 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891792368 715021652 /nfs/dbraw/zinc/02/16/52/715021652.db2.gz HHJIYGGRRSWQOB-ZDUSSCGKSA-N 1 0 344.415 2.733 20 5 EFBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000261986846 715160158 /nfs/dbraw/zinc/16/01/58/715160158.db2.gz KLQGMWQQDJTKHB-CQSZACIVSA-N 1 0 348.447 2.552 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CCC1 ZINC001022502415 715190363 /nfs/dbraw/zinc/19/03/63/715190363.db2.gz QFIQYYVNZUSMKF-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268954 715212257 /nfs/dbraw/zinc/21/22/57/715212257.db2.gz JGDLQECLHAZFLN-PBHICJAKSA-N 1 0 343.431 2.627 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000892144444 715272590 /nfs/dbraw/zinc/27/25/90/715272590.db2.gz DDFJAFLHKGINHX-CYBMUJFWSA-N 1 0 336.388 2.558 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934236913 715273962 /nfs/dbraw/zinc/27/39/62/715273962.db2.gz REILWRPKLWIWSC-AWEZNQCLSA-N 1 0 342.399 2.848 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000934240255 715275599 /nfs/dbraw/zinc/27/55/99/715275599.db2.gz TURMYFNPSNLQTD-LBPRGKRZSA-N 1 0 329.356 2.577 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC=CC1 ZINC001022652960 715276041 /nfs/dbraw/zinc/27/60/41/715276041.db2.gz BWBOIDBDFXMDMV-GASCZTMLSA-N 1 0 329.400 2.688 20 5 EFBDRO CCc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022656812 715277308 /nfs/dbraw/zinc/27/73/08/715277308.db2.gz SHBVGOCERMEWGO-BETUJISGSA-N 1 0 349.412 2.862 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934321537 715335020 /nfs/dbraw/zinc/33/50/20/715335020.db2.gz CWJSUANDSRBXSN-BZZMCLGOSA-N 1 0 343.427 2.784 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985448523 724388937 /nfs/dbraw/zinc/38/89/37/724388937.db2.gz QFOOTWZVDPMWIJ-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000893455166 715576223 /nfs/dbraw/zinc/57/62/23/715576223.db2.gz ZCZSUMAXBPGSTL-ZIAGYGMSSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000176694308 715636120 /nfs/dbraw/zinc/63/61/20/715636120.db2.gz URUDTTWXIPDGOU-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892282661 715724517 /nfs/dbraw/zinc/72/45/17/715724517.db2.gz ATPMLYUENMBRNV-GFCCVEGCSA-N 1 0 332.404 2.589 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC000981138451 718144166 /nfs/dbraw/zinc/14/41/66/718144166.db2.gz SYSQTRQZMRHVDJ-IAGOWNOFSA-N 1 0 337.464 2.546 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000892535740 718230901 /nfs/dbraw/zinc/23/09/01/718230901.db2.gz ROJSMCWAINMJQZ-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2nonc21 ZINC000310730648 718236696 /nfs/dbraw/zinc/23/66/96/718236696.db2.gz BYMXARABVXEMGX-ZDUSSCGKSA-N 1 0 339.355 2.817 20 5 EFBDRO C[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925248105 724494206 /nfs/dbraw/zinc/49/42/06/724494206.db2.gz WTESCFOLWAYRED-CQSZACIVSA-N 1 0 334.420 2.783 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2ccccc2C)c1[N+](=O)[O-] ZINC000892651330 718377228 /nfs/dbraw/zinc/37/72/28/718377228.db2.gz WHVYVEWGCVUMFN-UHFFFAOYSA-N 1 0 332.356 2.786 20 5 EFBDRO CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942582 718725867 /nfs/dbraw/zinc/72/58/67/718725867.db2.gz PSRJXBGTYCEUJH-ODLRDIKDSA-N 1 0 343.427 2.782 20 5 EFBDRO CC(C)(F)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981574373 718821618 /nfs/dbraw/zinc/82/16/18/718821618.db2.gz ASHYLGRVHNJKQW-UHFFFAOYSA-N 1 0 349.406 2.767 20 5 EFBDRO O=C(CC1CC1)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981581038 718845173 /nfs/dbraw/zinc/84/51/73/718845173.db2.gz XQVYUSRECSWTGP-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981585180 718849499 /nfs/dbraw/zinc/84/94/99/718849499.db2.gz PROJSIBLWGRJBI-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CC[NH+](CC)CCSc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892706542 718861412 /nfs/dbraw/zinc/86/14/12/718861412.db2.gz VDGOIQOXCALIHT-UHFFFAOYSA-N 1 0 335.429 2.881 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC)C2)cc1C ZINC000892730840 719062260 /nfs/dbraw/zinc/06/22/60/719062260.db2.gz KDTDRFBPTOTWMB-CQSZACIVSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000892821219 719213768 /nfs/dbraw/zinc/21/37/68/719213768.db2.gz SFHMSMPFOAVWFB-ZFWWWQNUSA-N 1 0 329.404 2.651 20 5 EFBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892845209 719232355 /nfs/dbraw/zinc/23/23/55/719232355.db2.gz AYMQQAYSBALFHW-UKRRQHHQSA-N 1 0 329.404 2.793 20 5 EFBDRO C[C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)[C@@H](C)C[N@@H+]1C ZINC001164643541 719233730 /nfs/dbraw/zinc/23/37/30/719233730.db2.gz ZEBMVSRSDNQFDK-OLZOCXBDSA-N 1 0 327.388 2.581 20 5 EFBDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892886846 719258258 /nfs/dbraw/zinc/25/82/58/719258258.db2.gz YHTHNXSWIGORHZ-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(F)F)CC1 ZINC001029924575 724574475 /nfs/dbraw/zinc/57/44/75/724574475.db2.gz PZCQQVJHGKZLFV-UHFFFAOYSA-N 1 0 341.358 2.530 20 5 EFBDRO CC(C)C[NH+]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164652643 719331329 /nfs/dbraw/zinc/33/13/29/719331329.db2.gz NYOCVXXFXUSMOE-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO CSc1nc(Cl)nc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC001164655012 719333797 /nfs/dbraw/zinc/33/37/97/719333797.db2.gz YSJCMKHFBVEPHC-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001019948388 719415062 /nfs/dbraw/zinc/41/50/62/719415062.db2.gz LTGFMLXZSGWNMK-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001019963691 719418073 /nfs/dbraw/zinc/41/80/73/719418073.db2.gz JULINJFOYFHWFF-QAQDUYKDSA-N 1 0 339.395 2.954 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000909612652 724594590 /nfs/dbraw/zinc/59/45/90/724594590.db2.gz MBKYEWYRYUGOGQ-UHFFFAOYSA-N 1 0 345.403 2.535 20 5 EFBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CCCC1 ZINC001025931046 719548027 /nfs/dbraw/zinc/54/80/27/719548027.db2.gz JKZMBQVWGZWLLQ-FVQHAEBGSA-N 1 0 343.427 2.722 20 5 EFBDRO CCC(=O)N1C[C@]2(C)C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982178191 719630593 /nfs/dbraw/zinc/63/05/93/719630593.db2.gz BSXHWNWCHQFZHN-HDICACEKSA-N 1 0 331.416 2.675 20 5 EFBDRO CC(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982212316 719667840 /nfs/dbraw/zinc/66/78/40/719667840.db2.gz VENNGBGYNWQIII-KDURUIRLSA-N 1 0 345.443 2.921 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261629223 719794544 /nfs/dbraw/zinc/79/45/44/719794544.db2.gz BNFYNYHUDOKIBE-IINYFYTJSA-N 1 0 325.796 2.724 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000074828832 720007825 /nfs/dbraw/zinc/00/78/25/720007825.db2.gz PUCUNZFRDBPSGR-UHFFFAOYSA-N 1 0 336.436 2.724 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000893801589 720092832 /nfs/dbraw/zinc/09/28/32/720092832.db2.gz JHOUAGSWHIGJOH-PVAVHDDUSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000893801586 720092890 /nfs/dbraw/zinc/09/28/90/720092890.db2.gz JHOUAGSWHIGJOH-DJIMGWMZSA-N 1 0 331.416 2.687 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721409 720334196 /nfs/dbraw/zinc/33/41/96/720334196.db2.gz BYQMKXOABCVMSD-DLBZAZTESA-N 1 0 339.399 2.546 20 5 EFBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000841103904 720354593 /nfs/dbraw/zinc/35/45/93/720354593.db2.gz SEJGLHAJVVIDGM-VHSXEESVSA-N 1 0 326.784 2.697 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000893284868 720443464 /nfs/dbraw/zinc/44/34/64/720443464.db2.gz KNZRWVHQZIOLCA-DZGCQCFKSA-N 1 0 326.780 2.676 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000047452669 721112730 /nfs/dbraw/zinc/11/27/30/721112730.db2.gz XZCOYHCUGQMLGJ-UHFFFAOYSA-N 1 0 344.327 2.817 20 5 EFBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067273432 721146528 /nfs/dbraw/zinc/14/65/28/721146528.db2.gz CPIGNKSQSAEDHA-SBJJXXPASA-N 1 0 331.416 2.845 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000985638392 724740791 /nfs/dbraw/zinc/74/07/91/724740791.db2.gz ULIJVXPBSYDTSF-UHFFFAOYSA-N 1 0 349.406 2.767 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000983037292 721774581 /nfs/dbraw/zinc/77/45/81/721774581.db2.gz OXFQMQGPNDWCMA-NNUKFRKNSA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000261856067 721803731 /nfs/dbraw/zinc/80/37/31/721803731.db2.gz XHEATSQKKLDKTD-AWEZNQCLSA-N 1 0 340.221 2.543 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccsc1 ZINC000983106116 721811826 /nfs/dbraw/zinc/81/18/26/721811826.db2.gz PVKNKJKTOOYYGX-NNUKFRKNSA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCCC4)CC3)cnc2c1 ZINC001165029894 721853846 /nfs/dbraw/zinc/85/38/46/721853846.db2.gz PTGMLXAXWZUDCS-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC001165029097 721855938 /nfs/dbraw/zinc/85/59/38/721855938.db2.gz RNIJMSWWFOLPGG-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983174805 721873876 /nfs/dbraw/zinc/87/38/76/721873876.db2.gz HDPHLIZKBXXZDT-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO CC[NH+](CC)C1CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165053137 722000954 /nfs/dbraw/zinc/00/09/54/722000954.db2.gz IQCVYICOBVXHSQ-UHFFFAOYSA-N 1 0 327.816 2.657 20 5 EFBDRO O=C(CC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983396391 722130089 /nfs/dbraw/zinc/13/00/89/722130089.db2.gz DKRYPIVHAFOPIF-KOMQPUFPSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(CC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983397027 722131345 /nfs/dbraw/zinc/13/13/45/722131345.db2.gz KCCNDGGESVOHQF-WKILWMFISA-N 1 0 331.416 2.769 20 5 EFBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983436786 722625102 /nfs/dbraw/zinc/62/51/02/722625102.db2.gz KAAUXEIIDGIHAN-AULYBMBSSA-N 1 0 348.428 2.591 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=CCCC1 ZINC000983461200 722647850 /nfs/dbraw/zinc/64/78/50/722647850.db2.gz JJWNJSIKQBUBNQ-YEORSEQZSA-N 1 0 335.429 2.751 20 5 EFBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983578625 722731015 /nfs/dbraw/zinc/73/10/15/722731015.db2.gz FOVVFOTTYIWNMV-AULYBMBSSA-N 1 0 348.428 2.591 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894535063 722774897 /nfs/dbraw/zinc/77/48/97/722774897.db2.gz ZOMOEQMCKUNDLS-GFCCVEGCSA-N 1 0 325.409 2.519 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H](CO)CC(F)F ZINC000894566490 722784430 /nfs/dbraw/zinc/78/44/30/722784430.db2.gz KWBSWXCQJAVOME-VIFPVBQESA-N 1 0 328.237 2.719 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000894645390 722807318 /nfs/dbraw/zinc/80/73/18/722807318.db2.gz LQAGSWCSJZGLJQ-QGZVFWFLSA-N 1 0 338.404 2.540 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000894865819 722916985 /nfs/dbraw/zinc/91/69/85/722916985.db2.gz NKDNVNWWPVZRGP-ZFWWWQNUSA-N 1 0 329.404 2.508 20 5 EFBDRO COc1c(O)ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894901004 723018491 /nfs/dbraw/zinc/01/84/91/723018491.db2.gz PHPCLOOGTKEDSL-GJZGRUSLSA-N 1 0 344.367 2.617 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)c2cccnc2)c1[N+](=O)[O-] ZINC000894936803 723033314 /nfs/dbraw/zinc/03/33/14/723033314.db2.gz JVVHGHBYYWFSNE-UHFFFAOYSA-N 1 0 331.372 2.771 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000895014059 723050703 /nfs/dbraw/zinc/05/07/03/723050703.db2.gz YGDMDMCMIDGMFH-INDWDQIESA-N 1 0 327.388 2.914 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000984620998 723187226 /nfs/dbraw/zinc/18/72/26/723187226.db2.gz REQRZEVNCNQGKU-ZUFZQKGWSA-N 1 0 343.427 2.625 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(C2CC2)CC1 ZINC000983953303 723273790 /nfs/dbraw/zinc/27/37/90/723273790.db2.gz YRQFQWINGHXNKR-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001029305414 723320481 /nfs/dbraw/zinc/32/04/81/723320481.db2.gz YEWMRACEHJJEJH-XMTFNYHQSA-N 1 0 349.475 2.687 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509804 723322030 /nfs/dbraw/zinc/32/20/30/723322030.db2.gz YJHWLPRUVJBQST-MRXNPFEDSA-N 1 0 333.432 2.907 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@H]([NH3+])[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000262139525 723374863 /nfs/dbraw/zinc/37/48/63/723374863.db2.gz YYGQPZCJUNRSKH-NHYWBVRUSA-N 1 0 331.372 2.642 20 5 EFBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896611815 723401333 /nfs/dbraw/zinc/40/13/33/723401333.db2.gz DGFZDQCCUQRVNQ-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000896956539 723912772 /nfs/dbraw/zinc/91/27/72/723912772.db2.gz ONZLYDINGONPTC-CYBMUJFWSA-N 1 0 325.796 2.737 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000896959064 723914778 /nfs/dbraw/zinc/91/47/78/723914778.db2.gz FULONFPXPYAUFM-OAHLLOKOSA-N 1 0 333.432 2.919 20 5 EFBDRO C[C@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248378 723936802 /nfs/dbraw/zinc/93/68/02/723936802.db2.gz KSXIYKDLWUVFRY-CABZTGNLSA-N 1 0 347.246 2.948 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895246746 723941246 /nfs/dbraw/zinc/94/12/46/723941246.db2.gz DFEBBZGUMGTMBD-YGRLFVJLSA-N 1 0 328.363 2.579 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895274442 723968169 /nfs/dbraw/zinc/96/81/69/723968169.db2.gz JAATVFQKKFDUNP-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000985214896 723998612 /nfs/dbraw/zinc/99/86/12/723998612.db2.gz IIMBMFCGLVAVBB-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000985217048 724002260 /nfs/dbraw/zinc/00/22/60/724002260.db2.gz IFPGPOYOTIQIDY-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270018 724047551 /nfs/dbraw/zinc/04/75/51/724047551.db2.gz IEBBOMWFKKUIMY-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000918373856 728871679 /nfs/dbraw/zinc/87/16/79/728871679.db2.gz MUSNGPCGUZNWTP-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO COCc1csc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000895377053 724087455 /nfs/dbraw/zinc/08/74/55/724087455.db2.gz IYBQXNNVBPZXFT-UHFFFAOYSA-N 1 0 338.385 2.807 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000895437747 724133857 /nfs/dbraw/zinc/13/38/57/724133857.db2.gz YEXMBOBMPLPVNV-LLVKDONJSA-N 1 0 339.823 2.985 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000985346690 724152121 /nfs/dbraw/zinc/15/21/21/724152121.db2.gz QHZBXIBGQOIGJW-RMKNXTFCSA-N 1 0 343.427 2.984 20 5 EFBDRO Cn1cc(CN2CC[N@H+](C)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895565135 724203110 /nfs/dbraw/zinc/20/31/10/724203110.db2.gz UWEVOUGENZJJPK-UHFFFAOYSA-N 1 0 343.431 2.521 20 5 EFBDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895707716 724266779 /nfs/dbraw/zinc/26/67/79/724266779.db2.gz MPNYELFYVFEUOG-AFNCTOJWSA-N 1 0 348.321 2.836 20 5 EFBDRO C[N@H+](CCC1CCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426268 724321773 /nfs/dbraw/zinc/32/17/73/724321773.db2.gz OVABKGUYFCKLPH-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+]1CCCCC1 ZINC000918659727 728907407 /nfs/dbraw/zinc/90/74/07/728907407.db2.gz SSIBXNYRPBLDIW-CQSZACIVSA-N 1 0 348.447 2.513 20 5 EFBDRO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925236985 725026393 /nfs/dbraw/zinc/02/63/93/725026393.db2.gz MWDPMLXFVGMNTJ-ZIAGYGMSSA-N 1 0 334.420 2.639 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000154826448 728932141 /nfs/dbraw/zinc/93/21/41/728932141.db2.gz LOVBTMOFAYIUSX-SWLSCSKDSA-N 1 0 335.379 2.599 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000914218951 726176082 /nfs/dbraw/zinc/17/60/82/726176082.db2.gz KEZQGCKRDTYKCT-UHOFOFEASA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000897442920 726210611 /nfs/dbraw/zinc/21/06/11/726210611.db2.gz LQIAKVJFZXOMHT-AWEZNQCLSA-N 1 0 346.431 2.611 20 5 EFBDRO COCC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209188 726822952 /nfs/dbraw/zinc/82/29/52/726822952.db2.gz MGTWUMDBICQXCY-UHFFFAOYSA-N 1 0 336.417 2.727 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000915223974 726904892 /nfs/dbraw/zinc/90/48/92/726904892.db2.gz VHCGZGPQJJVEML-AWEZNQCLSA-N 1 0 339.823 2.545 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000731678431 726916593 /nfs/dbraw/zinc/91/65/93/726916593.db2.gz MDQRFICXGRDLPR-MRXNPFEDSA-N 1 0 346.383 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000731678173 726916705 /nfs/dbraw/zinc/91/67/05/726916705.db2.gz HPVPITRXARIGNU-MRXNPFEDSA-N 1 0 344.367 2.579 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000731678429 726916714 /nfs/dbraw/zinc/91/67/14/726916714.db2.gz MDQRFICXGRDLPR-INIZCTEOSA-N 1 0 346.383 2.825 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000907385047 726926256 /nfs/dbraw/zinc/92/62/56/726926256.db2.gz BWDYZNCGWZFWNE-UHFFFAOYSA-N 1 0 341.770 2.769 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000915355189 726958261 /nfs/dbraw/zinc/95/82/61/726958261.db2.gz IWOTVVODNVFRAH-HNNXBMFYSA-N 1 0 338.310 2.705 20 5 EFBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005265 726975215 /nfs/dbraw/zinc/97/52/15/726975215.db2.gz CSFJMVBYFHDJFU-UHFFFAOYSA-N 1 0 349.412 2.873 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907657217 726984814 /nfs/dbraw/zinc/98/48/14/726984814.db2.gz FNIGVVYJPGFPOS-UHFFFAOYSA-N 1 0 342.827 2.634 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000907742349 726999744 /nfs/dbraw/zinc/99/97/44/726999744.db2.gz CRMHSNOSJBMVPW-NSHDSACASA-N 1 0 343.786 2.944 20 5 EFBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000732302492 727015164 /nfs/dbraw/zinc/01/51/64/727015164.db2.gz PETKCPLQSZHLKF-UHFFFAOYSA-N 1 0 348.447 2.871 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732578080 727163714 /nfs/dbraw/zinc/16/37/14/727163714.db2.gz DFKMYWJGPQHTJD-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908571521 727218022 /nfs/dbraw/zinc/21/80/22/727218022.db2.gz WOITVPAHPBCBQE-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908577129 727220246 /nfs/dbraw/zinc/22/02/46/727220246.db2.gz QQDXWUMTJGOYNT-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)C1 ZINC000910282792 727427101 /nfs/dbraw/zinc/42/71/01/727427101.db2.gz IWGYHMNLZNCOFP-CYBMUJFWSA-N 1 0 342.399 2.699 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911736794 727590458 /nfs/dbraw/zinc/59/04/58/727590458.db2.gz OKAGHSAHUXDRIL-MSOLQXFVSA-N 1 0 339.395 2.516 20 5 EFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911794044 727600670 /nfs/dbraw/zinc/60/06/70/727600670.db2.gz FBWFBLYVRRUXIN-IAGOWNOFSA-N 1 0 337.379 2.983 20 5 EFBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840226 727605869 /nfs/dbraw/zinc/60/58/69/727605869.db2.gz ICZVSHCVAXYNCW-MSOLQXFVSA-N 1 0 343.427 2.689 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911864149 727608209 /nfs/dbraw/zinc/60/82/09/727608209.db2.gz NCOMLPVUXHTSMI-SJORKVTESA-N 1 0 331.416 2.546 20 5 EFBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000912149986 727664535 /nfs/dbraw/zinc/66/45/35/727664535.db2.gz HMMBTQULXSWQTG-IINYFYTJSA-N 1 0 327.812 2.970 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929922716 727668241 /nfs/dbraw/zinc/66/82/41/727668241.db2.gz KJGJWYNERGRLRR-UONOGXRCSA-N 1 0 327.425 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929922718 727668602 /nfs/dbraw/zinc/66/86/02/727668602.db2.gz KJGJWYNERGRLRR-ZIAGYGMSSA-N 1 0 327.425 2.517 20 5 EFBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000916570749 727697264 /nfs/dbraw/zinc/69/72/64/727697264.db2.gz RSSJLGXZBSJFJS-HNNXBMFYSA-N 1 0 349.774 2.510 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912806184 727744730 /nfs/dbraw/zinc/74/47/30/727744730.db2.gz FDQLOXPRDQQZCS-XJKSGUPXSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000912812580 727747585 /nfs/dbraw/zinc/74/75/85/727747585.db2.gz YUZVALBWUGZDQS-RHSMWYFYSA-N 1 0 333.432 2.716 20 5 EFBDRO CNc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912815160 727748917 /nfs/dbraw/zinc/74/89/17/727748917.db2.gz IKFIAJRRYOYVIF-CJNGLKHVSA-N 1 0 348.447 2.829 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912815980 727749037 /nfs/dbraw/zinc/74/90/37/727749037.db2.gz SHWDCUHRJALPRU-RHSMWYFYSA-N 1 0 349.431 2.552 20 5 EFBDRO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816129 727749090 /nfs/dbraw/zinc/74/90/90/727749090.db2.gz VGIPPWXNIVAXQA-ZFWWWQNUSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000917010146 727754499 /nfs/dbraw/zinc/75/44/99/727754499.db2.gz QZYKZMQXAIOQIC-UHFFFAOYSA-N 1 0 349.431 2.588 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917082697 727764802 /nfs/dbraw/zinc/76/48/02/727764802.db2.gz ZACNOAVHEZRHKC-ZIAGYGMSSA-N 1 0 344.415 2.526 20 5 EFBDRO Cc1c(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000917134967 727775460 /nfs/dbraw/zinc/77/54/60/727775460.db2.gz FOTKFSZMQNFJLC-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000913230488 727801474 /nfs/dbraw/zinc/80/14/74/727801474.db2.gz TWXOHOVBJDYMRN-FLIBITNWSA-N 1 0 331.416 2.989 20 5 EFBDRO CCCN(c1ncc([N+](=O)[O-])c(C)c1Br)[C@@H]1CC[NH2+]C1 ZINC000165820332 728071834 /nfs/dbraw/zinc/07/18/34/728071834.db2.gz GBPWMKYTJFRJBU-SNVBAGLBSA-N 1 0 343.225 2.639 20 5 EFBDRO Cc1cc[nH]c1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000991925806 728604945 /nfs/dbraw/zinc/60/49/45/728604945.db2.gz IGGZGIXRRBKQLE-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173307966 728622171 /nfs/dbraw/zinc/62/21/71/728622171.db2.gz VPXDWNZCTFIJDM-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000919221780 728988104 /nfs/dbraw/zinc/98/81/04/728988104.db2.gz VOHUUJFJBATUHT-LBPRGKRZSA-N 1 0 337.332 2.534 20 5 EFBDRO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000930081386 729037525 /nfs/dbraw/zinc/03/75/25/729037525.db2.gz LUZGWWCGTWKESD-IBGZPJMESA-N 1 0 326.396 2.599 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000919721967 729074958 /nfs/dbraw/zinc/07/49/58/729074958.db2.gz HPDXBFPSOFLYFC-XQQFMLRXSA-N 1 0 345.403 2.973 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000920808245 729233237 /nfs/dbraw/zinc/23/32/37/729233237.db2.gz DRQRAPARCQMZIR-NFAWXSAZSA-N 1 0 346.431 2.654 20 5 EFBDRO CCN(CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1Br ZINC000233463206 729493661 /nfs/dbraw/zinc/49/36/61/729493661.db2.gz NPVUVQUXHAODDB-UHFFFAOYSA-N 1 0 345.193 2.742 20 5 EFBDRO Cc1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000179547431 729589248 /nfs/dbraw/zinc/58/92/48/729589248.db2.gz SNOCCPXDVJNFKC-INIZCTEOSA-N 1 0 343.431 2.771 20 5 EFBDRO CCC[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000179673331 729607603 /nfs/dbraw/zinc/60/76/03/729607603.db2.gz QZCCPGIOHYCIHH-INIZCTEOSA-N 1 0 339.411 2.667 20 5 EFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000068180966 729634454 /nfs/dbraw/zinc/63/44/54/729634454.db2.gz CCUWOVREPJMKPV-UHFFFAOYSA-N 1 0 336.436 2.617 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180447633 729742377 /nfs/dbraw/zinc/74/23/77/729742377.db2.gz FDUGOXNHCXKUCW-SNVBAGLBSA-N 1 0 334.763 2.933 20 5 EFBDRO C[NH2+][C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159488751 1109665118 /nfs/dbraw/zinc/66/51/18/1109665118.db2.gz BZCZDYJDXYVTPR-NSHDSACASA-N 1 0 328.210 2.541 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000931606194 1126137211 /nfs/dbraw/zinc/13/72/11/1126137211.db2.gz YXRRWRLWWJOZFY-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000933433855 1126140255 /nfs/dbraw/zinc/14/02/55/1126140255.db2.gz XNFHEUFKTDAVFB-GOSISDBHSA-N 1 0 348.374 2.826 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575057971 1088220373 /nfs/dbraw/zinc/22/03/73/1088220373.db2.gz VKDMMSVXKRVJRG-WQGACYEGSA-N 1 0 337.395 2.813 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575057963 1088220704 /nfs/dbraw/zinc/22/07/04/1088220704.db2.gz VKDMMSVXKRVJRG-MKBNYLNASA-N 1 0 337.395 2.813 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001575069782 1088226479 /nfs/dbraw/zinc/22/64/79/1088226479.db2.gz NCYZGGZVUREXLI-CXAGYDPISA-N 1 0 339.395 2.529 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001575298644 1088377487 /nfs/dbraw/zinc/37/74/87/1088377487.db2.gz GFIDUYJEMDXTCO-UHFFFAOYSA-N 1 0 333.310 2.861 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001575409779 1088450523 /nfs/dbraw/zinc/45/05/23/1088450523.db2.gz IZUOWLRSDNQEPV-CYBMUJFWSA-N 1 0 333.310 2.717 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001575820967 1088711267 /nfs/dbraw/zinc/71/12/67/1088711267.db2.gz JUJKTOXMOKGCJH-NSHDSACASA-N 1 0 347.387 2.808 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576081718 1088912979 /nfs/dbraw/zinc/91/29/79/1088912979.db2.gz OVMXSVXKIAXADG-KRWDZBQOSA-N 1 0 347.802 2.781 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576082082 1088915377 /nfs/dbraw/zinc/91/53/77/1088915377.db2.gz UIEZISCDCJRGTO-MRXNPFEDSA-N 1 0 333.775 2.739 20 5 EFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001576105937 1088933911 /nfs/dbraw/zinc/93/39/11/1088933911.db2.gz XUFMQJABYSYMDX-OLZOCXBDSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001576176307 1088976975 /nfs/dbraw/zinc/97/69/75/1088976975.db2.gz VGVDBCQAEANOCT-QGHHPUGFSA-N 1 0 349.337 2.924 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001576371393 1089154683 /nfs/dbraw/zinc/15/46/83/1089154683.db2.gz KVECSDGDCLBOTR-NUEKZKHPSA-N 1 0 331.416 2.674 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576382713 1089167294 /nfs/dbraw/zinc/16/72/94/1089167294.db2.gz CMYYSVQUEIAKHS-XZJROXQQSA-N 1 0 342.399 2.583 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576480717 1089287002 /nfs/dbraw/zinc/28/70/02/1089287002.db2.gz NLUCWTXFGWQULI-LBPRGKRZSA-N 1 0 345.321 2.732 20 5 EFBDRO CC1(C)C[NH2+]CCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001576482022 1089290317 /nfs/dbraw/zinc/29/03/17/1089290317.db2.gz JMFSYEKTNDPIHK-UHFFFAOYSA-N 1 0 334.239 2.603 20 5 EFBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH2+]1 ZINC001576665452 1089384966 /nfs/dbraw/zinc/38/49/66/1089384966.db2.gz GBKSJORQVGXXIT-TZMCWYRMSA-N 1 0 335.407 2.552 20 5 EFBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001576682245 1089394287 /nfs/dbraw/zinc/39/42/87/1089394287.db2.gz VDOCOQFDBLLFAU-PSLIRLAXSA-N 1 0 327.331 2.510 20 5 EFBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001576682247 1089394473 /nfs/dbraw/zinc/39/44/73/1089394473.db2.gz VDOCOQFDBLLFAU-VFZGTOFNSA-N 1 0 327.331 2.510 20 5 EFBDRO C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC001576699530 1089402315 /nfs/dbraw/zinc/40/23/15/1089402315.db2.gz YFPVSOUKJYJNDS-SMDDNHRTSA-N 1 0 341.358 2.663 20 5 EFBDRO C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC001576700031 1089402821 /nfs/dbraw/zinc/40/28/21/1089402821.db2.gz MCMLOGOOJRXDGH-KKBVYLPWSA-N 1 0 331.416 2.674 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001576744217 1089433489 /nfs/dbraw/zinc/43/34/89/1089433489.db2.gz HHFXEKRCEFIKAF-RNCFNFMXSA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CC[NH2+]CC2)O1 ZINC001576807038 1089469138 /nfs/dbraw/zinc/46/91/38/1089469138.db2.gz MIYHSWDZMNWGNC-LBPRGKRZSA-N 1 0 339.823 2.591 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001576881465 1089505860 /nfs/dbraw/zinc/50/58/60/1089505860.db2.gz VKSUQHOVKRBGAT-XHNCKOQMSA-N 1 0 329.759 2.598 20 5 EFBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001576886118 1089508491 /nfs/dbraw/zinc/50/84/91/1089508491.db2.gz NTOPRHFVHAIXGL-UWJYBYFXSA-N 1 0 332.278 2.739 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001577096493 1089649960 /nfs/dbraw/zinc/64/99/60/1089649960.db2.gz OQKCLFAHIGGNJA-RKVPGOIHSA-N 1 0 331.416 2.503 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH3+] ZINC001577096018 1089650836 /nfs/dbraw/zinc/65/08/36/1089650836.db2.gz DJEYJMNXBAYNCZ-HNNXBMFYSA-N 1 0 341.411 2.939 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577096560 1089651985 /nfs/dbraw/zinc/65/19/85/1089651985.db2.gz QUKZBCIZWYZMID-KMFMINBZSA-N 1 0 333.432 2.749 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH2+]C ZINC001577476194 1089995327 /nfs/dbraw/zinc/99/53/27/1089995327.db2.gz XBZOKTGJFABXJF-NSHDSACASA-N 1 0 325.434 2.825 20 5 EFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC001577640820 1090097931 /nfs/dbraw/zinc/09/79/31/1090097931.db2.gz AJQVTYLWXROKIF-JTQLQIEISA-N 1 0 346.309 2.829 20 5 EFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC001577640821 1090098079 /nfs/dbraw/zinc/09/80/79/1090098079.db2.gz AJQVTYLWXROKIF-SNVBAGLBSA-N 1 0 346.309 2.829 20 5 EFBDRO CC[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC001577814344 1090193925 /nfs/dbraw/zinc/19/39/25/1090193925.db2.gz XHSKYLWCQOWTIY-SNVBAGLBSA-N 1 0 334.401 2.963 20 5 EFBDRO CC[NH2+]C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001577816852 1090194689 /nfs/dbraw/zinc/19/46/89/1090194689.db2.gz LXHYDRBMDNLZRA-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC001577902292 1090209509 /nfs/dbraw/zinc/20/95/09/1090209509.db2.gz MIUOWILCALTKEU-SWLSCSKDSA-N 1 0 334.420 2.616 20 5 EFBDRO CCOc1cc(CN2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001578166175 1090286611 /nfs/dbraw/zinc/28/66/11/1090286611.db2.gz NKKOFGNELDNYPI-HNNXBMFYSA-N 1 0 327.384 2.884 20 5 EFBDRO CCOc1cc(NC(=O)N2CCC([NH3+])(CC)CC2)ccc1[N+](=O)[O-] ZINC001578168218 1090287704 /nfs/dbraw/zinc/28/77/04/1090287704.db2.gz AVFYPJYWWJTLTB-UHFFFAOYSA-N 1 0 336.392 2.729 20 5 EFBDRO CC[C@H](NC(=O)c1ccc2n1CC[NH2+][C@H]2C)c1cccc([N+](=O)[O-])c1 ZINC001578233950 1090314201 /nfs/dbraw/zinc/31/42/01/1090314201.db2.gz AZOJJJXDFYXTFV-WFASDCNBSA-N 1 0 342.399 2.942 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001578263591 1090322409 /nfs/dbraw/zinc/32/24/09/1090322409.db2.gz OCPVNIAGQYLCRO-GHMZBOCLSA-N 1 0 346.309 2.511 20 5 EFBDRO CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1C[NH2+]C1 ZINC001578384018 1090358110 /nfs/dbraw/zinc/35/81/10/1090358110.db2.gz VXUXDHJQLXXZKV-UHFFFAOYSA-N 1 0 342.355 2.823 20 5 EFBDRO CN(C)c1cc(F)c(C(=O)Nc2cccc3c2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001578423124 1090368226 /nfs/dbraw/zinc/36/82/26/1090368226.db2.gz PRDWZIFLQRXRRN-UHFFFAOYSA-N 1 0 344.346 2.655 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC001578480872 1090382437 /nfs/dbraw/zinc/38/24/37/1090382437.db2.gz NDGJBZKMCHEIJI-UHFFFAOYSA-N 1 0 345.424 2.617 20 5 EFBDRO C[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001578591325 1090406244 /nfs/dbraw/zinc/40/62/44/1090406244.db2.gz JOTBQKYDGNXLCY-CYBMUJFWSA-N 1 0 347.802 2.809 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001578677788 1090419626 /nfs/dbraw/zinc/41/96/26/1090419626.db2.gz IWNGNZRPILVYPH-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO COC(=O)c1cc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001578860147 1090456002 /nfs/dbraw/zinc/45/60/02/1090456002.db2.gz WSPPJXYCBBFBGH-JTQLQIEISA-N 1 0 343.339 2.653 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[NH2+]C1(C)C ZINC001578864630 1090457840 /nfs/dbraw/zinc/45/78/40/1090457840.db2.gz RZXHZAGMKAOOPY-LLVKDONJSA-N 1 0 327.768 2.587 20 5 EFBDRO COCC[NH2+]C1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001579040511 1090504513 /nfs/dbraw/zinc/50/45/13/1090504513.db2.gz XFXIGPXLEXLTFC-UHFFFAOYSA-N 1 0 347.337 2.818 20 5 EFBDRO COc1c(O)ccc(CN2C[C@@H]([NH3+])CCc3ccccc32)c1[N+](=O)[O-] ZINC001579136129 1090522464 /nfs/dbraw/zinc/52/24/64/1090522464.db2.gz AKOBLFXWGWXIKU-AWEZNQCLSA-N 1 0 343.383 2.589 20 5 EFBDRO COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001579189276 1090540382 /nfs/dbraw/zinc/54/03/82/1090540382.db2.gz NAZLNNSLLVSPCG-CQSZACIVSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])CCc2ccccc21 ZINC001579242412 1090557588 /nfs/dbraw/zinc/55/75/88/1090557588.db2.gz MMHYUWOUINACET-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001579494052 1090622870 /nfs/dbraw/zinc/62/28/70/1090622870.db2.gz FUNBOVHDDIVMAX-AOOOYVTPSA-N 1 0 343.836 2.549 20 5 EFBDRO Cc1c(C(=O)N2C[C@@H]([NH3+])CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001579519090 1090625096 /nfs/dbraw/zinc/62/50/96/1090625096.db2.gz IIZGPWACOYSXHS-AWEZNQCLSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1c(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC001579532017 1090627642 /nfs/dbraw/zinc/62/76/42/1090627642.db2.gz HBGMEPDUJRWLBE-HNNXBMFYSA-N 1 0 333.775 2.873 20 5 EFBDRO Cc1c(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC001579532018 1090627812 /nfs/dbraw/zinc/62/78/12/1090627812.db2.gz HBGMEPDUJRWLBE-OAHLLOKOSA-N 1 0 333.775 2.873 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539061 1090629598 /nfs/dbraw/zinc/62/95/98/1090629598.db2.gz AQUKEEQBTZCZQF-SECBINFHSA-N 1 0 346.309 2.735 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539063 1090629654 /nfs/dbraw/zinc/62/96/54/1090629654.db2.gz AQUKEEQBTZCZQF-VIFPVBQESA-N 1 0 346.309 2.735 20 5 EFBDRO Cc1c(NC(=O)CCN2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579539771 1090630213 /nfs/dbraw/zinc/63/02/13/1090630213.db2.gz LOOYOEIPTXVOIU-SNPRPXQTSA-N 1 0 348.447 2.680 20 5 EFBDRO Cc1c(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001579542029 1090630365 /nfs/dbraw/zinc/63/03/65/1090630365.db2.gz LTSYRKIHKAZXKG-OAHLLOKOSA-N 1 0 342.399 2.985 20 5 EFBDRO Cc1c(NC(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542441 1090630932 /nfs/dbraw/zinc/63/09/32/1090630932.db2.gz VLQBLXFCOAUKTF-MRVPVSSYSA-N 1 0 346.309 2.748 20 5 EFBDRO Cc1cc(C(=O)N2CCC3(C[NH2+][C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579559201 1090634135 /nfs/dbraw/zinc/63/41/35/1090634135.db2.gz QKBVMLOUTVAPAN-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001579577118 1090637152 /nfs/dbraw/zinc/63/71/52/1090637152.db2.gz IFKVLLGKOWGQOL-KMFMINBZSA-N 1 0 347.415 2.697 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC001579605255 1090641184 /nfs/dbraw/zinc/64/11/84/1090641184.db2.gz MIPIABFICSPHJP-UHFFFAOYSA-N 1 0 338.795 2.988 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC001579605796 1090642054 /nfs/dbraw/zinc/64/20/54/1090642054.db2.gz YLPHQTSFDMRXNY-GDBMZVCRSA-N 1 0 345.786 2.911 20 5 EFBDRO Cc1cc(NC[C@@H]2CCCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001579636244 1090649104 /nfs/dbraw/zinc/64/91/04/1090649104.db2.gz XZIYOTNKVOZEHC-HNNXBMFYSA-N 1 0 341.415 2.726 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1F ZINC001579642596 1090649830 /nfs/dbraw/zinc/64/98/30/1090649830.db2.gz MCTFXFVNSZNJFH-UHFFFAOYSA-N 1 0 343.358 2.618 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)c1F ZINC001579642673 1090649869 /nfs/dbraw/zinc/64/98/69/1090649869.db2.gz POONQBWAIGSRSF-CYBMUJFWSA-N 1 0 343.358 2.963 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC001579734536 1090674007 /nfs/dbraw/zinc/67/40/07/1090674007.db2.gz UWDMUVHRYWQIJZ-BGMSHATGSA-N 1 0 335.429 2.845 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC001579735122 1090674338 /nfs/dbraw/zinc/67/43/38/1090674338.db2.gz YECZZRLQXIBDQP-LBPRGKRZSA-N 1 0 328.372 2.930 20 5 EFBDRO [NH3+][C@@H](CCC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001580126127 1090782299 /nfs/dbraw/zinc/78/22/99/1090782299.db2.gz FSILNOFGCQRAFK-KRWDZBQOSA-N 1 0 327.384 2.734 20 5 EFBDRO [NH3+][C@H](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001580128201 1090782661 /nfs/dbraw/zinc/78/26/61/1090782661.db2.gz SEAPJCYTZANNFW-VGMNTSGFSA-N 1 0 339.395 2.684 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001580157024 1090792447 /nfs/dbraw/zinc/79/24/47/1090792447.db2.gz CVPXBBBZDVAZKC-XLKFXECMSA-N 1 0 344.198 2.855 20 5 EFBDRO [NH3+]C1CC2(C1)CC(NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC001580165861 1090795287 /nfs/dbraw/zinc/79/52/87/1090795287.db2.gz NHOXTOCSGDKTNG-UHFFFAOYSA-N 1 0 344.415 2.539 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580177534 1090801214 /nfs/dbraw/zinc/80/12/14/1090801214.db2.gz QCBCGXWMUNLJOT-USXIJHARSA-N 1 0 331.416 2.818 20 5 EFBDRO [NH3+][C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC001580206907 1090810344 /nfs/dbraw/zinc/81/03/44/1090810344.db2.gz NWKGWEMZKPPBJY-SKDRFNHKSA-N 1 0 339.264 2.585 20 5 EFBDRO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001580228072 1090819495 /nfs/dbraw/zinc/81/94/95/1090819495.db2.gz NQGRYJCIJUIFOV-BBWFWOEESA-N 1 0 331.416 2.722 20 5 EFBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001580273210 1090846376 /nfs/dbraw/zinc/84/63/76/1090846376.db2.gz GESQVEWAXXJEKE-SNVBAGLBSA-N 1 0 347.321 2.651 20 5 EFBDRO [NH3+]Cc1cccc2c1N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCC2 ZINC001580344184 1090871849 /nfs/dbraw/zinc/87/18/49/1090871849.db2.gz HHSKPIZUSGGYKF-UHFFFAOYSA-N 1 0 343.358 2.715 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH2+]C1CCCCCC1 ZINC001580570244 1090954133 /nfs/dbraw/zinc/95/41/33/1090954133.db2.gz UAUQIVLEYSJOIJ-UHFFFAOYSA-N 1 0 337.395 2.705 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001580570317 1090954296 /nfs/dbraw/zinc/95/42/96/1090954296.db2.gz YJJYVTXZBQPTDZ-UHFFFAOYSA-N 1 0 347.321 2.700 20 5 EFBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580596571 1090962048 /nfs/dbraw/zinc/96/20/48/1090962048.db2.gz IZGIHVXNKLAGGC-GXTWGEPZSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001580652336 1090976892 /nfs/dbraw/zinc/97/68/92/1090976892.db2.gz VKUGYGOPAKSVRT-SECBINFHSA-N 1 0 332.187 2.774 20 5 EFBDRO O=C(NC[C@H]1CC[NH2+]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001580660535 1090978686 /nfs/dbraw/zinc/97/86/86/1090978686.db2.gz BJSNQTSYLWOIPN-CYBMUJFWSA-N 1 0 343.408 2.838 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001580761655 1090999223 /nfs/dbraw/zinc/99/92/23/1090999223.db2.gz VPGRFYDHZKDFGV-WDEREUQCSA-N 1 0 341.314 2.665 20 5 EFBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCCC[C@]12CCC[NH2+]C2 ZINC001580810843 1091016169 /nfs/dbraw/zinc/01/61/69/1091016169.db2.gz DYMDPWAZXPSGCT-MRXNPFEDSA-N 1 0 339.342 2.621 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCC3=CC[NH2+]CC3)c2c1 ZINC001580874779 1091030948 /nfs/dbraw/zinc/03/09/48/1091030948.db2.gz HYVBCMXLYCTSKD-UHFFFAOYSA-N 1 0 333.779 2.913 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC001580876649 1091031083 /nfs/dbraw/zinc/03/10/83/1091031083.db2.gz OMENWPOZYMHLBU-JTQLQIEISA-N 1 0 346.250 2.793 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1C[NH2+]CCC1(F)F ZINC001580874860 1091031144 /nfs/dbraw/zinc/03/11/44/1091031144.db2.gz MHSRCDGZUNUYHI-SNVBAGLBSA-N 1 0 336.136 2.766 20 5 EFBDRO O=C(C[NH+]1CCCC1)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104395737 1092379479 /nfs/dbraw/zinc/37/94/79/1092379479.db2.gz ASDUNVFDJUAAHJ-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO CCC[N@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104400909 1092632575 /nfs/dbraw/zinc/63/25/75/1092632575.db2.gz HJFFPFFICJNOLU-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000828834939 1092811831 /nfs/dbraw/zinc/81/18/31/1092811831.db2.gz ZDNUVOYLCZPSIW-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO CC(C)C[NH+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC(C)C ZINC001589626463 1093118209 /nfs/dbraw/zinc/11/82/09/1093118209.db2.gz WBYYQUODAYBHRR-UHFFFAOYSA-N 1 0 332.408 2.889 20 5 EFBDRO COC(=O)Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1[N+](=O)[O-] ZINC001167625092 1093137156 /nfs/dbraw/zinc/13/71/56/1093137156.db2.gz MWCPCZGAORRIIL-UHFFFAOYSA-N 1 0 349.431 2.795 20 5 EFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589871813 1093162099 /nfs/dbraw/zinc/16/20/99/1093162099.db2.gz CCRXBDRNAJTLQV-LBPRGKRZSA-N 1 0 338.371 2.668 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC001125650783 1093293116 /nfs/dbraw/zinc/29/31/16/1093293116.db2.gz MCDCHKJPHSYQOY-UHFFFAOYSA-N 1 0 327.381 2.660 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590238476 1093324840 /nfs/dbraw/zinc/32/48/40/1093324840.db2.gz HJINBKFPLSRLGZ-HBYGRHMLSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590238477 1093325480 /nfs/dbraw/zinc/32/54/80/1093325480.db2.gz HJINBKFPLSRLGZ-QWRGUYRKSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245015 1093335821 /nfs/dbraw/zinc/33/58/21/1093335821.db2.gz XPOZKQKWBORAAL-VXGBXAGGSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1(C)C ZINC001590272350 1093354619 /nfs/dbraw/zinc/35/46/19/1093354619.db2.gz QVULXVRYCQPDGJ-LLVKDONJSA-N 1 0 330.392 2.643 20 5 EFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590857484 1093603398 /nfs/dbraw/zinc/60/33/98/1093603398.db2.gz UTNWXNSZCSXNFL-NWDGAFQWSA-N 1 0 330.392 2.928 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC001591730216 1093846364 /nfs/dbraw/zinc/84/63/64/1093846364.db2.gz AFMVLSKPCLRHCR-SECBINFHSA-N 1 0 330.373 2.687 20 5 EFBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591735056 1093850578 /nfs/dbraw/zinc/85/05/78/1093850578.db2.gz OIVPZTJKZWSICL-VXGBXAGGSA-N 1 0 330.392 2.643 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001591769778 1093851675 /nfs/dbraw/zinc/85/16/75/1093851675.db2.gz BIXLUNZPZFZGML-JTQLQIEISA-N 1 0 342.334 2.765 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1cccs1 ZINC001591769781 1093852581 /nfs/dbraw/zinc/85/25/81/1093852581.db2.gz BOCBSUDOQAOSTL-VIFPVBQESA-N 1 0 330.373 2.687 20 5 EFBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592259812 1094057057 /nfs/dbraw/zinc/05/70/57/1094057057.db2.gz VAIJFIKHHSPNHO-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001593467362 1094312119 /nfs/dbraw/zinc/31/21/19/1094312119.db2.gz PKEYOVZQNUSZQU-AWEZNQCLSA-N 1 0 342.403 2.787 20 5 EFBDRO C/C(=C\c1ccccc1)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000588619398 1094463937 /nfs/dbraw/zinc/46/39/37/1094463937.db2.gz LSTAWHMHTDVCGO-UPQQSIJHSA-N 1 0 342.395 2.682 20 5 EFBDRO Cc1nc(O[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218397519 1094481279 /nfs/dbraw/zinc/48/12/79/1094481279.db2.gz FAJAXFSFHATKLJ-IONNQARKSA-N 1 0 330.182 2.580 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001217990161 1095308040 /nfs/dbraw/zinc/30/80/40/1095308040.db2.gz HWGUSXWITNCWHH-PRHODGIISA-N 1 0 344.209 2.828 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218044170 1095459218 /nfs/dbraw/zinc/45/92/18/1095459218.db2.gz UIMHYSJWNMCHOE-JMCQJSRRSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120658 1095640442 /nfs/dbraw/zinc/64/04/42/1095640442.db2.gz WDTAURVUFWPEHT-QWHCGFSZSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120651 1095641103 /nfs/dbraw/zinc/64/11/03/1095641103.db2.gz WDTAURVUFWPEHT-CHWSQXEVSA-N 1 0 327.178 2.878 20 5 EFBDRO Cc1cc(Br)c(O[C@H]2CCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001218241316 1095901697 /nfs/dbraw/zinc/90/16/97/1095901697.db2.gz ISPRLIGKNNHFJP-LBPRGKRZSA-N 1 0 327.178 2.797 20 5 EFBDRO [NH3+]Cc1nn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc12 ZINC001167698455 1095994265 /nfs/dbraw/zinc/99/42/65/1095994265.db2.gz YBMVBLWXHABVSZ-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO Cc1sccc1CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167699754 1096009246 /nfs/dbraw/zinc/00/92/46/1096009246.db2.gz SAAORDPXOVCMCY-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603884209 1096657697 /nfs/dbraw/zinc/65/76/97/1096657697.db2.gz JKNKZMDGLPRXTH-QWRGUYRKSA-N 1 0 330.392 2.689 20 5 EFBDRO CCC1(CC)CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604086050 1096726440 /nfs/dbraw/zinc/72/64/40/1096726440.db2.gz NVEQSAFSCBNAHW-UHFFFAOYSA-N 1 0 330.392 2.930 20 5 EFBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604103232 1096738275 /nfs/dbraw/zinc/73/82/75/1096738275.db2.gz SIJDTSOIJINWBD-GFCCVEGCSA-N 1 0 330.392 2.930 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])s1 ZINC001605828625 1097241567 /nfs/dbraw/zinc/24/15/67/1097241567.db2.gz WAFSQJLCRKPYPU-JTQLQIEISA-N 1 0 344.400 2.996 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609162710 1098176696 /nfs/dbraw/zinc/17/66/96/1098176696.db2.gz IJSQQQNKDFWBKZ-NWDGAFQWSA-N 1 0 330.392 2.785 20 5 EFBDRO CCCC[NH+](CCCC)CCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001167734237 1098658967 /nfs/dbraw/zinc/65/89/67/1098658967.db2.gz BMQLDRHEUSPNNE-UHFFFAOYSA-N 1 0 334.424 2.952 20 5 EFBDRO C[N@@H+]1CCC2(CN(C(=O)c3ccc4oc5ccccc5c(=O)c4c3)C2)C1 ZINC001270369058 1099016974 /nfs/dbraw/zinc/01/69/74/1099016974.db2.gz OFEHFMJNAFRECQ-UHFFFAOYSA-N 1 0 348.402 2.724 20 5 EFBDRO CN(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749641373 1099185243 /nfs/dbraw/zinc/18/52/43/1099185243.db2.gz YHBDXIDQRXNEDE-GOSISDBHSA-N 1 0 329.400 2.744 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000839287271 1099734748 /nfs/dbraw/zinc/73/47/48/1099734748.db2.gz ILBBTCRASRKVMQ-BXUZGUMPSA-N 1 0 339.823 2.969 20 5 EFBDRO C[NH2+]Cc1cn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2ccc(C)cc12 ZINC001167124515 1101805649 /nfs/dbraw/zinc/80/56/49/1101805649.db2.gz VEHGIQCORXXCNQ-UHFFFAOYSA-N 1 0 346.774 2.853 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCc2nccn2CC1 ZINC001167182149 1102005046 /nfs/dbraw/zinc/00/50/46/1102005046.db2.gz HHKBSWNGTOAKAB-UHFFFAOYSA-N 1 0 328.159 2.556 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001167259947 1102181372 /nfs/dbraw/zinc/18/13/72/1102181372.db2.gz JLDCQYOLMNASPL-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC001167272297 1102212803 /nfs/dbraw/zinc/21/28/03/1102212803.db2.gz TYWASMGIMHCXCP-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC001167274696 1102223325 /nfs/dbraw/zinc/22/33/25/1102223325.db2.gz LZGDSTZUHPUPHM-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO [NH3+]Cc1cnc2c(ccn2-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001167312943 1102522158 /nfs/dbraw/zinc/52/21/58/1102522158.db2.gz BLIVSEMQJWGVKA-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO C[C@H]1Cc2cc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000905565947 1103333675 /nfs/dbraw/zinc/33/36/75/1103333675.db2.gz UGHSUXGQSLMKAF-SJCJKPOMSA-N 1 0 328.368 2.741 20 5 EFBDRO COc1ccc(COc2cccc(N3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000905612719 1103415286 /nfs/dbraw/zinc/41/52/86/1103415286.db2.gz PISAUHWUYOJLJV-UHFFFAOYSA-N 1 0 343.383 2.592 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOc2cccc(F)c2)cc1 ZINC000905706872 1103517058 /nfs/dbraw/zinc/51/70/58/1103517058.db2.gz WIGAODCYQYTWTD-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO CCOC(=O)C1=C(Nc2ccccc2C[N+](C)(C)CC)[C@H](C)OC1 ZINC001168162456 1104072831 /nfs/dbraw/zinc/07/28/31/1104072831.db2.gz RPIOLPLYEZCBKJ-AWEZNQCLSA-O 1 0 333.452 2.931 20 5 EFBDRO CC(C)([NH3+])[C@@H](N)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212165198 1104221186 /nfs/dbraw/zinc/22/11/86/1104221186.db2.gz YONHJHNTZBQELJ-HNNXBMFYSA-N 1 0 334.383 2.570 20 5 EFBDRO COC(=O)CC(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179235521 1105050055 /nfs/dbraw/zinc/05/00/55/1105050055.db2.gz ABAAHQKGCQVZND-UHFFFAOYSA-N 1 0 333.344 2.681 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1C ZINC000897587009 1105797695 /nfs/dbraw/zinc/79/76/95/1105797695.db2.gz CLVPESSVFMILOZ-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000897710559 1106059398 /nfs/dbraw/zinc/05/93/98/1106059398.db2.gz WTIXLUPKNHQQKV-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000843793711 1106191995 /nfs/dbraw/zinc/19/19/95/1106191995.db2.gz WVVNTURXKJCALP-CYBMUJFWSA-N 1 0 335.379 2.743 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843798156 1106316531 /nfs/dbraw/zinc/31/65/31/1106316531.db2.gz RIKWAGBRJVOUME-UHFFFAOYSA-N 1 0 325.384 2.894 20 5 EFBDRO Cc1ccoc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989949692 1107022885 /nfs/dbraw/zinc/02/28/85/1107022885.db2.gz JRORDBIBLCZREI-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=C(CCC1CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990369168 1107667166 /nfs/dbraw/zinc/66/71/66/1107667166.db2.gz BRRPKQIURFFPNM-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000904328582 1107819946 /nfs/dbraw/zinc/81/99/46/1107819946.db2.gz HEECIKAGCNGLKW-UHFFFAOYSA-N 1 0 338.795 2.902 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000905228638 1108505142 /nfs/dbraw/zinc/50/51/42/1108505142.db2.gz FTBGEXRWXBVLPB-SFHVURJKSA-N 1 0 344.411 2.961 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]C2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000842233437 1109204524 /nfs/dbraw/zinc/20/45/24/1109204524.db2.gz VFHFYUGQXLDGBJ-UHFFFAOYSA-N 1 0 334.420 2.528 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000843806342 1109451359 /nfs/dbraw/zinc/45/13/59/1109451359.db2.gz UGCZCZYUSCZIDW-NSHDSACASA-N 1 0 325.384 2.748 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000159492394 1109665185 /nfs/dbraw/zinc/66/51/85/1109665185.db2.gz HWQXSVHMCJBANP-AOOOYVTPSA-N 1 0 328.210 2.540 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000159498190 1109672393 /nfs/dbraw/zinc/67/23/93/1109672393.db2.gz RMVKYRYIHNPMJR-CABZTGNLSA-N 1 0 328.210 2.526 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000159864984 1109780621 /nfs/dbraw/zinc/78/06/21/1109780621.db2.gz HLTVWXZZCLBVNU-UHFFFAOYSA-N 1 0 335.379 2.647 20 5 EFBDRO C[N+](C)(C)CCCO[C@H]1COCc2cc(Br)cnc21 ZINC001224623373 1110032076 /nfs/dbraw/zinc/03/20/76/1110032076.db2.gz MWFPOIWQRQNPEA-ZDUSSCGKSA-N 1 0 330.246 2.528 20 5 EFBDRO O=C(C=C1CCC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990954961 1110065330 /nfs/dbraw/zinc/06/53/30/1110065330.db2.gz QFEWHROXYLDWTG-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCCC1 ZINC001106779888 1111824903 /nfs/dbraw/zinc/82/49/03/1111824903.db2.gz MLXAPCQWZYAXRH-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001106807064 1111863950 /nfs/dbraw/zinc/86/39/50/1111863950.db2.gz SMQWTUSSFHMQOP-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC001106809524 1111868259 /nfs/dbraw/zinc/86/82/59/1111868259.db2.gz WNEOXXAMQZSRAZ-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CC[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000154681756 1112112284 /nfs/dbraw/zinc/11/22/84/1112112284.db2.gz PHCUAPNIWCQLBZ-AWEZNQCLSA-N 1 0 332.404 2.916 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001106926600 1118608517 /nfs/dbraw/zinc/60/85/17/1118608517.db2.gz MJDXOSXNGRJIBK-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CCC[NH+](C)C ZINC001106926699 1118611071 /nfs/dbraw/zinc/61/10/71/1118611071.db2.gz RQKPOXDQZCTUBI-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000187553655 529551688 /nfs/dbraw/zinc/55/16/88/529551688.db2.gz GJMRTDCGBWEKGG-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO COC1CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414184197 536739353 /nfs/dbraw/zinc/73/93/53/536739353.db2.gz OIWZRUBCTRXOFC-BDVYOWHSSA-N 1 0 344.415 2.965 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000342422572 282258863 /nfs/dbraw/zinc/25/88/63/282258863.db2.gz QKOCRUZQUDRIHE-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450808774 282270748 /nfs/dbraw/zinc/27/07/48/282270748.db2.gz JDIWXXJNFZOADY-AWEZNQCLSA-N 1 0 343.431 2.595 20 5 EFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[N@H+](C)C1CC1 ZINC000186788074 529938780 /nfs/dbraw/zinc/93/87/80/529938780.db2.gz WXADASYUQMVXFO-UHFFFAOYSA-N 1 0 344.415 2.818 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134743920 530049018 /nfs/dbraw/zinc/04/90/18/530049018.db2.gz FZHLJMOWKAJZFT-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000414520503 535038955 /nfs/dbraw/zinc/03/89/55/535038955.db2.gz ZEZUGOBMACJGCM-UHFFFAOYSA-N 1 0 334.825 2.551 20 5 EFBDRO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000457058029 295766209 /nfs/dbraw/zinc/76/62/09/295766209.db2.gz VIDAHIJCLVSPFC-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000181811693 234332572 /nfs/dbraw/zinc/33/25/72/234332572.db2.gz VQLBIRXSSSFWEW-GFCCVEGCSA-N 1 0 332.360 2.879 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2nccs2)cc1[N+](=O)[O-] ZINC000181832605 234343458 /nfs/dbraw/zinc/34/34/58/234343458.db2.gz XCUOSLOZADWEOJ-LLVKDONJSA-N 1 0 334.401 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC000181860615 234356579 /nfs/dbraw/zinc/35/65/79/234356579.db2.gz RZJCJZRBIGYPQR-KRWDZBQOSA-N 1 0 342.395 2.783 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000164169034 283099431 /nfs/dbraw/zinc/09/94/31/283099431.db2.gz XJDIDEVFIJGYAJ-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184059365 235294634 /nfs/dbraw/zinc/29/46/34/235294634.db2.gz YGAITUBBCZZJFZ-JSGCOSHPSA-N 1 0 345.424 2.907 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000025330185 202130194 /nfs/dbraw/zinc/13/01/94/202130194.db2.gz LDNFBXDEXMNLMQ-SNVBAGLBSA-N 1 0 325.415 2.751 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025441590 202130820 /nfs/dbraw/zinc/13/08/20/202130820.db2.gz MQNVZNMJPNMKPI-KRWDZBQOSA-N 1 0 339.395 2.901 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347605439 283227694 /nfs/dbraw/zinc/22/76/94/283227694.db2.gz WNULSRVHSVUQGR-LBPRGKRZSA-N 1 0 325.384 2.638 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)CC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000186940649 236072053 /nfs/dbraw/zinc/07/20/53/236072053.db2.gz SJJHNKVTEFGOKE-AWEZNQCLSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187165271 236134972 /nfs/dbraw/zinc/13/49/72/236134972.db2.gz FZWCPSKPYLOVEG-LIRRHRJNSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187180849 236139244 /nfs/dbraw/zinc/13/92/44/236139244.db2.gz JXBGKTMZCLWULU-LIRRHRJNSA-N 1 0 341.411 2.945 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000188015374 236384403 /nfs/dbraw/zinc/38/44/03/236384403.db2.gz IVHLULBTUDZGEY-UHFFFAOYSA-N 1 0 342.399 2.699 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000298313429 202283881 /nfs/dbraw/zinc/28/38/81/202283881.db2.gz PIYKPTPWQQNEJV-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000449215088 296006967 /nfs/dbraw/zinc/00/69/67/296006967.db2.gz XSRQGJJKQRCHLG-GUYCJALGSA-N 1 0 332.375 2.858 20 5 EFBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228849685 201039910 /nfs/dbraw/zinc/03/99/10/201039910.db2.gz DZYJFQRKGVBPQE-JTQLQIEISA-N 1 0 333.219 2.559 20 5 EFBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000128343892 201106484 /nfs/dbraw/zinc/10/64/84/201106484.db2.gz DWCAUGQNJYGRJK-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C=Cc2ccccc2[N+](=O)[O-])N1 ZINC000212888241 201111234 /nfs/dbraw/zinc/11/12/34/201111234.db2.gz XVQKEEYXNARBLX-KVPUOBJLSA-N 1 0 334.339 2.551 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701533 201093404 /nfs/dbraw/zinc/09/34/04/201093404.db2.gz SMEWMBMACPCFQY-CQSZACIVSA-N 1 0 335.404 2.736 20 5 EFBDRO CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236838115 201147054 /nfs/dbraw/zinc/14/70/54/201147054.db2.gz DKTUPADRQVSZHC-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000262130102 201201447 /nfs/dbraw/zinc/20/14/47/201201447.db2.gz CXSNAWZOCDPWDX-WBVHZDCISA-N 1 0 339.395 2.718 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000079262729 201204506 /nfs/dbraw/zinc/20/45/06/201204506.db2.gz JEPDZFRLTYLJLK-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261540997 201193389 /nfs/dbraw/zinc/19/33/89/201193389.db2.gz IEHZYFXRNHXOKA-UHFFFAOYSA-N 1 0 327.384 2.894 20 5 EFBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000265091811 201213424 /nfs/dbraw/zinc/21/34/24/201213424.db2.gz AORCXRHYCCECOI-HNNXBMFYSA-N 1 0 329.404 2.713 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000263679123 201208146 /nfs/dbraw/zinc/20/81/46/201208146.db2.gz DPKMDIXUNVEFBS-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312609 201250430 /nfs/dbraw/zinc/25/04/30/201250430.db2.gz SASSYCXKNWSDLD-UKRRQHHQSA-N 1 0 329.404 2.651 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191676681 239246253 /nfs/dbraw/zinc/24/62/53/239246253.db2.gz VGZMDXNJBUUSTB-GOSISDBHSA-N 1 0 327.384 2.903 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152735938 201393252 /nfs/dbraw/zinc/39/32/52/201393252.db2.gz CKHNYNPOQOKKHD-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000160115168 201411140 /nfs/dbraw/zinc/41/11/40/201411140.db2.gz FKZPGCOUBINAML-ZDUSSCGKSA-N 1 0 328.210 2.526 20 5 EFBDRO COc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000193819046 240127551 /nfs/dbraw/zinc/12/75/51/240127551.db2.gz PUVQVJRKNNYHAN-OAHLLOKOSA-N 1 0 343.383 2.636 20 5 EFBDRO COc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193450264 240169507 /nfs/dbraw/zinc/16/95/07/240169507.db2.gz HQUOCUYNASEHHZ-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195319601 240213830 /nfs/dbraw/zinc/21/38/30/240213830.db2.gz BLQSOSGTNCPVRT-GFCCVEGCSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195428850 240225739 /nfs/dbraw/zinc/22/57/39/240225739.db2.gz JJUFHHXMHZRXEJ-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195428246 240226122 /nfs/dbraw/zinc/22/61/22/240226122.db2.gz VJRWHBLRMZVPOI-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195445157 240226767 /nfs/dbraw/zinc/22/67/67/240226767.db2.gz YUOIIJNAVIYWEG-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000193986967 240390066 /nfs/dbraw/zinc/39/00/66/240390066.db2.gz OEWGQINSIOQSJS-OAHLLOKOSA-N 1 0 348.403 2.953 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000454673875 296085335 /nfs/dbraw/zinc/08/53/35/296085335.db2.gz VHKLPTAANMYMHB-QWHCGFSZSA-N 1 0 336.436 2.931 20 5 EFBDRO COCC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411689696 242924202 /nfs/dbraw/zinc/92/42/02/242924202.db2.gz GCVDKWOLUWHOOO-HNNXBMFYSA-N 1 0 337.420 2.964 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411919672 243026225 /nfs/dbraw/zinc/02/62/25/243026225.db2.gz BIPLAZXHQOWPJB-RDJZCZTQSA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411934062 243033021 /nfs/dbraw/zinc/03/30/21/243033021.db2.gz HCHDPELRGZOEAZ-WMZOPIPTSA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411934060 243034781 /nfs/dbraw/zinc/03/47/81/243034781.db2.gz HCHDPELRGZOEAZ-SJLPKXTDSA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411943024 243036803 /nfs/dbraw/zinc/03/68/03/243036803.db2.gz MLMJDRPXTDTTGO-WMZOPIPTSA-N 1 0 328.368 2.782 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411978507 243055282 /nfs/dbraw/zinc/05/52/82/243055282.db2.gz ZCEIWMZVRANCFS-YVEFUNNKSA-N 1 0 335.404 2.635 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412103412 243142238 /nfs/dbraw/zinc/14/22/38/243142238.db2.gz ZYENZQAEISJRHN-HNNXBMFYSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1C ZINC000412234810 243220658 /nfs/dbraw/zinc/22/06/58/243220658.db2.gz QJFFWSILOKBMQC-KGLIPLIRSA-N 1 0 349.431 2.937 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412361632 243287035 /nfs/dbraw/zinc/28/70/35/243287035.db2.gz IEBOJNGLFAEQAX-XOKHGSTOSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000412392989 243301356 /nfs/dbraw/zinc/30/13/56/243301356.db2.gz COFRFKVEUCCKPV-BSLXNSKLSA-N 1 0 326.356 2.717 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412401928 243303092 /nfs/dbraw/zinc/30/30/92/243303092.db2.gz NMMMKRYMTYMHNU-ZWKOTPCHSA-N 1 0 343.427 2.831 20 5 EFBDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000069529317 203014307 /nfs/dbraw/zinc/01/43/07/203014307.db2.gz DELLLBGXXAMHPB-OLZOCXBDSA-N 1 0 331.372 2.902 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000091483084 203074961 /nfs/dbraw/zinc/07/49/61/203074961.db2.gz GKPIXLJMHSSZOE-SECBINFHSA-N 1 0 329.198 2.506 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000070745790 203080113 /nfs/dbraw/zinc/08/01/13/203080113.db2.gz JYSZNIMHCWFNQQ-UHFFFAOYSA-N 1 0 346.431 2.583 20 5 EFBDRO CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000253610746 244037163 /nfs/dbraw/zinc/03/71/63/244037163.db2.gz BDDVHXFAAXOPEL-CQSZACIVSA-N 1 0 336.413 2.918 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414272464 244070856 /nfs/dbraw/zinc/07/08/56/244070856.db2.gz XEQZIECULNSBHC-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414288199 244075616 /nfs/dbraw/zinc/07/56/16/244075616.db2.gz UZUIWBKGTZRZTI-MQYQWHSLSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414288205 244076136 /nfs/dbraw/zinc/07/61/36/244076136.db2.gz UZUIWBKGTZRZTI-SYQHCUMBSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000414320158 244085894 /nfs/dbraw/zinc/08/58/94/244085894.db2.gz ADMBVAFENUUOTK-ZDUSSCGKSA-N 1 0 340.445 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000071912060 203148327 /nfs/dbraw/zinc/14/83/27/203148327.db2.gz DEJKYRPKPJAARY-CYBMUJFWSA-N 1 0 343.343 2.584 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071888997 203139349 /nfs/dbraw/zinc/13/93/49/203139349.db2.gz SQUOKMAXWMFDNN-QWHCGFSZSA-N 1 0 349.456 2.676 20 5 EFBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000414508738 244203323 /nfs/dbraw/zinc/20/33/23/244203323.db2.gz YEQCKCQYEUVHCP-SUMWQHHRSA-N 1 0 348.378 2.818 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414520123 244208151 /nfs/dbraw/zinc/20/81/51/244208151.db2.gz UYOWBYJBYDGRQJ-VNHYZAJKSA-N 1 0 344.415 2.898 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414537095 244217603 /nfs/dbraw/zinc/21/76/03/244217603.db2.gz YSAVSXPPDINFEZ-MRXNPFEDSA-N 1 0 343.358 2.937 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000414655258 244277329 /nfs/dbraw/zinc/27/73/29/244277329.db2.gz GVPSLMIHTPGFBB-CQSZACIVSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414660947 244280631 /nfs/dbraw/zinc/28/06/31/244280631.db2.gz PBMVZGCOHXWCIA-UONOGXRCSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414666452 244282894 /nfs/dbraw/zinc/28/28/94/244282894.db2.gz WLEQUHYZHSMWAJ-UONOGXRCSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1c(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000414713019 244303042 /nfs/dbraw/zinc/30/30/42/244303042.db2.gz UUHHFOCBONPKBD-CQSZACIVSA-N 1 0 332.404 2.757 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072803301 203246138 /nfs/dbraw/zinc/24/61/38/203246138.db2.gz IWRXPSRQLAXZBT-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072834223 203246631 /nfs/dbraw/zinc/24/66/31/203246631.db2.gz SVFMGUQWZDRJME-INIZCTEOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072837237 203247437 /nfs/dbraw/zinc/24/74/37/203247437.db2.gz FFXHUOJCKYOULL-OAHLLOKOSA-N 1 0 337.445 2.997 20 5 EFBDRO C[NH+](C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCOCC1 ZINC000072947749 203251790 /nfs/dbraw/zinc/25/17/90/203251790.db2.gz AURCCGHRDAGDJY-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414764878 244334450 /nfs/dbraw/zinc/33/44/50/244334450.db2.gz DUYGPAQHJXVZOX-QGZVFWFLSA-N 1 0 333.363 2.988 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434427 203253119 /nfs/dbraw/zinc/25/31/19/203253119.db2.gz OOHGDPSAMNRRRJ-GZMMTYOYSA-N 1 0 329.198 2.682 20 5 EFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000093434285 203253431 /nfs/dbraw/zinc/25/34/31/203253431.db2.gz DAALGEHSFHGELJ-DTWKUNHWSA-N 1 0 329.198 2.552 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@@H](C[NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414796340 244359674 /nfs/dbraw/zinc/35/96/74/244359674.db2.gz HOKWEYUNYFWDIY-HNNXBMFYSA-N 1 0 331.372 2.690 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000414884348 244389095 /nfs/dbraw/zinc/38/90/95/244389095.db2.gz NSJZFTAZJOWBDE-HOTGVXAUSA-N 1 0 347.440 2.900 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414942865 244398627 /nfs/dbraw/zinc/39/86/27/244398627.db2.gz DRKUFUQWLQGTQV-IUCAKERBSA-N 1 0 344.318 2.588 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949221 244399987 /nfs/dbraw/zinc/39/99/87/244399987.db2.gz NGAFVRQYYYUWFV-VIFPVBQESA-N 1 0 346.334 2.691 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415656847 244442377 /nfs/dbraw/zinc/44/23/77/244442377.db2.gz LTXJGXARGBIPSJ-RYUDHWBXSA-N 1 0 336.392 2.585 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364174581 284173548 /nfs/dbraw/zinc/17/35/48/284173548.db2.gz WFADZBAOJVKEDI-LBPRGKRZSA-N 1 0 346.412 2.590 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165828750 291482754 /nfs/dbraw/zinc/48/27/54/291482754.db2.gz KSHJQRMIQGBUTA-RKDXNWHRSA-N 1 0 329.198 2.600 20 5 EFBDRO Cc1c(Br)c(N[C@@H](C[NH3+])C2CCCC2)ncc1[N+](=O)[O-] ZINC000235851441 203490145 /nfs/dbraw/zinc/49/01/45/203490145.db2.gz VYOWHDGQSNSGTG-JTQLQIEISA-N 1 0 343.225 2.990 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000087401215 203559003 /nfs/dbraw/zinc/55/90/03/203559003.db2.gz HJTVOKPUMIQTMP-QGZVFWFLSA-N 1 0 345.443 2.862 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262088423 244795700 /nfs/dbraw/zinc/79/57/00/244795700.db2.gz RJPZYTLIQZFHAD-UHFFFAOYSA-N 1 0 346.412 2.700 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417146619 245041591 /nfs/dbraw/zinc/04/15/91/245041591.db2.gz YNWKOIKLWWSDIR-CXAGYDPISA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417146621 245041815 /nfs/dbraw/zinc/04/18/15/245041815.db2.gz YNWKOIKLWWSDIR-GUYCJALGSA-N 1 0 346.431 2.829 20 5 EFBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417388033 245075626 /nfs/dbraw/zinc/07/56/26/245075626.db2.gz ZGCHCTDFFBMOKA-CJNGLKHVSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000418357766 245135523 /nfs/dbraw/zinc/13/55/23/245135523.db2.gz YNTWFAFDCMGFFS-DZGCQCFKSA-N 1 0 346.431 2.657 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418426660 245153932 /nfs/dbraw/zinc/15/39/32/245153932.db2.gz NHAWEDFUEPYNMD-WMLDXEAASA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418432178 245155387 /nfs/dbraw/zinc/15/53/87/245155387.db2.gz YSAIUUQUHSWPAC-CQSZACIVSA-N 1 0 334.420 2.642 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262764164 245166480 /nfs/dbraw/zinc/16/64/80/245166480.db2.gz RORKZXRMWMMWRL-HUBLWGQQSA-N 1 0 337.445 2.804 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418557652 245192118 /nfs/dbraw/zinc/19/21/18/245192118.db2.gz WUKPNOMMMIEPCD-SFHVURJKSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000418643725 245223175 /nfs/dbraw/zinc/22/31/75/245223175.db2.gz PKJPSSOJEPHDRD-HNNXBMFYSA-N 1 0 348.447 2.907 20 5 EFBDRO CCCNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419999 204037993 /nfs/dbraw/zinc/03/79/93/204037993.db2.gz XNJJNXMNTFSGDT-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000101909408 204025935 /nfs/dbraw/zinc/02/59/35/204025935.db2.gz ANCPSAMPTHIZSJ-OAHLLOKOSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000101909403 204026321 /nfs/dbraw/zinc/02/63/21/204026321.db2.gz ANCPSAMPTHIZSJ-HNNXBMFYSA-N 1 0 349.431 2.588 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000102636798 204044554 /nfs/dbraw/zinc/04/45/54/204044554.db2.gz GILQWOOTQOLOAB-CQSZACIVSA-N 1 0 336.436 2.633 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CC1 ZINC000419010479 245327815 /nfs/dbraw/zinc/32/78/15/245327815.db2.gz PTMAXSMDFQOFPT-UHFFFAOYSA-N 1 0 327.768 2.541 20 5 EFBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419298445 245369819 /nfs/dbraw/zinc/36/98/19/245369819.db2.gz WDOAMQMKERAZDL-CYBMUJFWSA-N 1 0 346.431 2.528 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1O ZINC000105448200 204146942 /nfs/dbraw/zinc/14/69/42/204146942.db2.gz TZERWSOXDWPERH-UHFFFAOYSA-N 1 0 347.327 2.550 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107695413 204242857 /nfs/dbraw/zinc/24/28/57/204242857.db2.gz YRLKKVQOCNFZOC-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCOC1 ZINC000107686872 204243289 /nfs/dbraw/zinc/24/32/89/204243289.db2.gz OQWMRVNDZNXFOX-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107690666 204243694 /nfs/dbraw/zinc/24/36/94/204243694.db2.gz AZPRDWROJUIQHI-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107696857 204244142 /nfs/dbraw/zinc/24/41/42/204244142.db2.gz UYMHJIHQYJIUHG-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000108687339 204269410 /nfs/dbraw/zinc/26/94/10/204269410.db2.gz NTVYWBJNBGODLZ-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110349679 204309372 /nfs/dbraw/zinc/30/93/72/204309372.db2.gz XZAZVPFNIUCDRQ-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110993089 204330638 /nfs/dbraw/zinc/33/06/38/204330638.db2.gz YMIHKLNLWUJCMQ-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccccc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000111403806 204355807 /nfs/dbraw/zinc/35/58/07/204355807.db2.gz WZGCRWNPZQTGAJ-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO O=[N+]([O-])c1cccc(CNCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000111403428 204355816 /nfs/dbraw/zinc/35/58/16/204355816.db2.gz UQAOTBCWENPTPA-UHFFFAOYSA-N 1 0 333.432 2.720 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000111231942 204342862 /nfs/dbraw/zinc/34/28/62/204342862.db2.gz CALYOCMJOBBPPS-KGLIPLIRSA-N 1 0 348.321 2.751 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cs1 ZINC000116350668 204530334 /nfs/dbraw/zinc/53/03/34/204530334.db2.gz VBXFONHOCJCJOE-ZDUSSCGKSA-N 1 0 331.397 2.831 20 5 EFBDRO COCCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000419379752 245393808 /nfs/dbraw/zinc/39/38/08/245393808.db2.gz FUSMUAGMLVIVLL-UHFFFAOYSA-N 1 0 329.784 2.545 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117783171 204575782 /nfs/dbraw/zinc/57/57/82/204575782.db2.gz YXENYMOPBCJTMI-NSHDSACASA-N 1 0 327.812 2.637 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121984018 204839852 /nfs/dbraw/zinc/83/98/52/204839852.db2.gz AVFZOUFLNRGJPT-HZMBPMFUSA-N 1 0 325.796 2.519 20 5 EFBDRO Cc1c(CC(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000419928480 245502365 /nfs/dbraw/zinc/50/23/65/245502365.db2.gz YIYLMKQEEIZBPS-UHFFFAOYSA-N 1 0 333.432 2.874 20 5 EFBDRO C[N@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000125782929 205025591 /nfs/dbraw/zinc/02/55/91/205025591.db2.gz ZFFWJBFSBPBQIX-UHFFFAOYSA-N 1 0 341.411 2.776 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126379157 205053232 /nfs/dbraw/zinc/05/32/32/205053232.db2.gz DPOVLBJEMRWYJN-JKSUJKDBSA-N 1 0 331.416 2.516 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCN1CC[NH2+]CC1 ZINC000420128846 245544437 /nfs/dbraw/zinc/54/44/37/245544437.db2.gz WKRGBLKENXXZQJ-UHFFFAOYSA-N 1 0 333.219 2.609 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000110976589 220086106 /nfs/dbraw/zinc/08/61/06/220086106.db2.gz DEYVWVUHLMMOFA-AWEZNQCLSA-N 1 0 348.447 2.929 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)c(F)c1 ZINC000127779128 205117157 /nfs/dbraw/zinc/11/71/57/205117157.db2.gz PDQRFMQZTSXKSI-UHFFFAOYSA-N 1 0 339.754 2.681 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000245538507 205139575 /nfs/dbraw/zinc/13/95/75/205139575.db2.gz ZEAOYNJBTRHQQN-LSDHHAIUSA-N 1 0 329.404 2.968 20 5 EFBDRO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000263722180 245581447 /nfs/dbraw/zinc/58/14/47/245581447.db2.gz KBMNZQCLMMKQGX-JTQLQIEISA-N 1 0 349.774 2.829 20 5 EFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000128672344 205156700 /nfs/dbraw/zinc/15/67/00/205156700.db2.gz SYLIHKHDKAIUQF-WDEREUQCSA-N 1 0 341.408 2.888 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000245755419 205156921 /nfs/dbraw/zinc/15/69/21/205156921.db2.gz DTMKPJRPNNGIAB-YOKBYHGQSA-N 1 0 347.415 2.777 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000129243905 205186411 /nfs/dbraw/zinc/18/64/11/205186411.db2.gz JRBJHKFHOJKZIW-XJKCOSOUSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000129243417 205186421 /nfs/dbraw/zinc/18/64/21/205186421.db2.gz JRBJHKFHOJKZIW-IOASZLSFSA-N 1 0 340.445 2.783 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000128831909 205166503 /nfs/dbraw/zinc/16/65/03/205166503.db2.gz YOHKQYWSJVGKLJ-CVEARBPZSA-N 1 0 331.416 2.531 20 5 EFBDRO C[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129245035 205185674 /nfs/dbraw/zinc/18/56/74/205185674.db2.gz MWYKRKLPWCODJW-SWLSCSKDSA-N 1 0 326.418 2.537 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246360085 205194817 /nfs/dbraw/zinc/19/48/17/205194817.db2.gz PSLYXEPUIJSWMM-LXZKKBNFSA-N 1 0 346.431 2.924 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1ccccn1 ZINC000129486188 205198456 /nfs/dbraw/zinc/19/84/56/205198456.db2.gz YZXUBGRBJVSURB-UHFFFAOYSA-N 1 0 346.362 2.632 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246834364 205236420 /nfs/dbraw/zinc/23/64/20/205236420.db2.gz KGBRSIDTARCCIP-GLJUWKHASA-N 1 0 347.415 2.549 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000130407552 205236909 /nfs/dbraw/zinc/23/69/09/205236909.db2.gz LPLVARMDEUDBGK-YSVLISHTSA-N 1 0 336.457 2.764 20 5 EFBDRO Cn1cc(C[N@H+](C)[C@@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130487879 205241627 /nfs/dbraw/zinc/24/16/27/205241627.db2.gz WNSIWBXMILYRNF-OAHLLOKOSA-N 1 0 332.429 2.933 20 5 EFBDRO [NH3+]C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000420357875 245640674 /nfs/dbraw/zinc/64/06/74/245640674.db2.gz DVIQWCBBHVPYRZ-OAHLLOKOSA-N 1 0 345.403 2.642 20 5 EFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132070172 205312880 /nfs/dbraw/zinc/31/28/80/205312880.db2.gz VVVWNQZUEFBRMX-GOEBONIOSA-N 1 0 327.384 2.635 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000132865144 205345691 /nfs/dbraw/zinc/34/56/91/205345691.db2.gz ZHWNGYSMIRZAQF-INIZCTEOSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132925354 205348801 /nfs/dbraw/zinc/34/88/01/205348801.db2.gz ORNNDWDFCLKKLP-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000133575584 205371901 /nfs/dbraw/zinc/37/19/01/205371901.db2.gz BIOLUSQMSMEFCU-UHFFFAOYSA-N 1 0 325.434 2.850 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476401 205388866 /nfs/dbraw/zinc/38/88/66/205388866.db2.gz YEJNDFXOKILDQZ-QKPAOTATSA-N 1 0 334.416 2.988 20 5 EFBDRO C[NH+]1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000228841280 205398431 /nfs/dbraw/zinc/39/84/31/205398431.db2.gz XNKDJRXXEIOYSA-UHFFFAOYSA-N 1 0 333.219 2.561 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000153909962 205892387 /nfs/dbraw/zinc/89/23/87/205892387.db2.gz QMKXIYZITLRQQT-FIXISWKDSA-N 1 0 328.434 2.757 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421709829 246074244 /nfs/dbraw/zinc/07/42/44/246074244.db2.gz HJBJIEFERKZFHO-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421854155 246140184 /nfs/dbraw/zinc/14/01/84/246140184.db2.gz KBVZVDVXPDQWFF-QRTARXTBSA-N 1 0 345.443 2.797 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000421899551 246158432 /nfs/dbraw/zinc/15/84/32/246158432.db2.gz LPRRPGQXUKNOCR-UHFFFAOYSA-N 1 0 331.416 2.958 20 5 EFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000157279517 206127151 /nfs/dbraw/zinc/12/71/51/206127151.db2.gz JVQUVHFTLQBQMS-UHFFFAOYSA-N 1 0 343.383 2.504 20 5 EFBDRO CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000157359484 206130471 /nfs/dbraw/zinc/13/04/71/206130471.db2.gz YPMQFJMGVQVOAF-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000157450352 206136580 /nfs/dbraw/zinc/13/65/80/206136580.db2.gz DQKKBXMLMZJURX-HNNXBMFYSA-N 1 0 327.812 2.670 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000157852580 206159202 /nfs/dbraw/zinc/15/92/02/206159202.db2.gz SNJNLUNOBZQYDD-QGZVFWFLSA-N 1 0 348.378 2.612 20 5 EFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000157881583 206160182 /nfs/dbraw/zinc/16/01/82/206160182.db2.gz VQSFFBZQOWBKDO-CQSZACIVSA-N 1 0 345.403 2.531 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000157596765 206145401 /nfs/dbraw/zinc/14/54/01/206145401.db2.gz USXMNJDZJKBFQG-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000159699179 206259063 /nfs/dbraw/zinc/25/90/63/206259063.db2.gz CPPHJFMWXGUZKR-UHFFFAOYSA-N 1 0 341.411 2.711 20 5 EFBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159708893 206259117 /nfs/dbraw/zinc/25/91/17/206259117.db2.gz QBHVYBMJMLOPCN-NSHDSACASA-N 1 0 337.326 2.728 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000159524128 206250441 /nfs/dbraw/zinc/25/04/41/206250441.db2.gz DDBNTAIEFCEXEP-UHFFFAOYSA-N 1 0 332.404 2.561 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)[NH3+] ZINC000423226379 246602709 /nfs/dbraw/zinc/60/27/09/246602709.db2.gz QMQCFXJIFDOEAI-DYVFJYSZSA-N 1 0 349.431 2.584 20 5 EFBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159835983 206264806 /nfs/dbraw/zinc/26/48/06/206264806.db2.gz YNLGRAPPZVCDBX-ZDUSSCGKSA-N 1 0 349.818 2.973 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423719876 246658327 /nfs/dbraw/zinc/65/83/27/246658327.db2.gz NIEQANWPLXOAHV-NWDGAFQWSA-N 1 0 337.807 2.710 20 5 EFBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000424004089 246676394 /nfs/dbraw/zinc/67/63/94/246676394.db2.gz RUKMIMMBLCMQFV-GOSISDBHSA-N 1 0 339.395 2.619 20 5 EFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000264692359 246788372 /nfs/dbraw/zinc/78/83/72/246788372.db2.gz UCTSZFUVIQKBHY-LBPRGKRZSA-N 1 0 339.440 2.511 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159950446 206272073 /nfs/dbraw/zinc/27/20/73/206272073.db2.gz JKNCXLGIJBSQTJ-AWEZNQCLSA-N 1 0 334.420 2.701 20 5 EFBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000159948903 206271616 /nfs/dbraw/zinc/27/16/16/206271616.db2.gz RQJVHPOIJPFZCM-UHFFFAOYSA-N 1 0 329.360 2.556 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000425273591 247025286 /nfs/dbraw/zinc/02/52/86/247025286.db2.gz BLNHNKYWPJTDEC-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000425461089 247093439 /nfs/dbraw/zinc/09/34/39/247093439.db2.gz UGOHZHYZJHIORC-DGCLKSJQSA-N 1 0 329.194 2.703 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264994710 247121010 /nfs/dbraw/zinc/12/10/10/247121010.db2.gz RPOAOKJEWRYBCE-AWEZNQCLSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054485 247164310 /nfs/dbraw/zinc/16/43/10/247164310.db2.gz QTHMBKLKVHZYRI-HUUCEWRRSA-N 1 0 346.387 2.770 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265054483 247165429 /nfs/dbraw/zinc/16/54/29/247165429.db2.gz QTHMBKLKVHZYRI-CABCVRRESA-N 1 0 346.387 2.770 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000265142198 247242260 /nfs/dbraw/zinc/24/22/60/247242260.db2.gz MDAAEDGMUHSVCW-GOSISDBHSA-N 1 0 330.384 2.991 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000160180922 206283112 /nfs/dbraw/zinc/28/31/12/206283112.db2.gz MKGZBOVJJCNDQZ-VXGBXAGGSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426468852 247283010 /nfs/dbraw/zinc/28/30/10/247283010.db2.gz OHEHVNICNCYAKD-CQSZACIVSA-N 1 0 344.415 2.506 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426474047 247285652 /nfs/dbraw/zinc/28/56/52/247285652.db2.gz ZAJPZAALOQARBI-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426321367 247261446 /nfs/dbraw/zinc/26/14/46/247261446.db2.gz CHXAOAVRXOEYEK-STQMWFEESA-N 1 0 333.392 2.924 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)CC(F)F ZINC000429452306 247638004 /nfs/dbraw/zinc/63/80/04/247638004.db2.gz LQJAJYFWUVUILN-YUTCNCBUSA-N 1 0 328.359 2.912 20 5 EFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000161398988 206345830 /nfs/dbraw/zinc/34/58/30/206345830.db2.gz AVCSVBALQNRZQN-ZBEGNZNMSA-N 1 0 330.388 2.535 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249361744 206354743 /nfs/dbraw/zinc/35/47/43/206354743.db2.gz LRVSCAJQRGLQRT-LSDHHAIUSA-N 1 0 335.448 2.741 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000249298832 206356520 /nfs/dbraw/zinc/35/65/20/206356520.db2.gz CNGHWLLPUGTUHM-DVOMOZLQSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000249298836 206357019 /nfs/dbraw/zinc/35/70/19/206357019.db2.gz CNGHWLLPUGTUHM-WWGRRREGSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000249760308 206366588 /nfs/dbraw/zinc/36/65/88/206366588.db2.gz XFZANVFTLJAGIJ-XQQFMLRXSA-N 1 0 337.395 2.830 20 5 EFBDRO C[NH+](C)[C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000433309919 248044038 /nfs/dbraw/zinc/04/40/38/248044038.db2.gz FJJAMFJJKLSAMU-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000433071204 248011502 /nfs/dbraw/zinc/01/15/02/248011502.db2.gz XLVCKAKEVNOGLK-KRWDZBQOSA-N 1 0 330.384 2.509 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000266008523 248024662 /nfs/dbraw/zinc/02/46/62/248024662.db2.gz MXFKWZIUHINNJF-OKILXGFUSA-N 1 0 337.420 2.652 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000433566142 248072512 /nfs/dbraw/zinc/07/25/12/248072512.db2.gz YJHNFAVZKYAXNH-CXAGYDPISA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000266081559 248083865 /nfs/dbraw/zinc/08/38/65/248083865.db2.gz DLSTZPQQVQUHGS-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266189057 248159096 /nfs/dbraw/zinc/15/90/96/248159096.db2.gz BOTPTMYPYPWSSA-CYBMUJFWSA-N 1 0 348.403 2.838 20 5 EFBDRO Cc1cnc(NCc2ccccc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000266192766 248161956 /nfs/dbraw/zinc/16/19/56/248161956.db2.gz GPXHQMXFZCOJMU-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000266129494 248117812 /nfs/dbraw/zinc/11/78/12/248117812.db2.gz XRNCSYYVNVCRBX-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266279775 248219946 /nfs/dbraw/zinc/21/99/46/248219946.db2.gz DUZXFZMVKZCZJX-JTQLQIEISA-N 1 0 345.321 2.637 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN(C3CC3)[C@@H]3CC[NH2+]C3)o2)c1 ZINC000435240893 248221162 /nfs/dbraw/zinc/22/11/62/248221162.db2.gz CLZVQVSYIYMBHN-MRXNPFEDSA-N 1 0 342.399 2.619 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000266292589 248228918 /nfs/dbraw/zinc/22/89/18/248228918.db2.gz KGTRMOALSJVZIG-VWYCJHECSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372765 248232906 /nfs/dbraw/zinc/23/29/06/248232906.db2.gz SKKOVKIOBRSZRQ-NWDGAFQWSA-N 1 0 332.429 2.887 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385003 248233642 /nfs/dbraw/zinc/23/36/42/248233642.db2.gz PEKMCCDWSMMBIO-VBNZEHGJSA-N 1 0 344.440 2.887 20 5 EFBDRO C[C@@H]1[NH2+]CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000435381996 248234034 /nfs/dbraw/zinc/23/40/34/248234034.db2.gz ZGMSZPHCXBZGKZ-RYUDHWBXSA-N 1 0 332.429 2.901 20 5 EFBDRO O=[N+]([O-])c1cccnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000266301056 248234859 /nfs/dbraw/zinc/23/48/59/248234859.db2.gz YORSUBTVQKJJAW-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO CC1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000434708474 248181442 /nfs/dbraw/zinc/18/14/42/248181442.db2.gz VGRGLAZCIHIPOU-HNNXBMFYSA-N 1 0 349.456 2.918 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000266452696 248307977 /nfs/dbraw/zinc/30/79/77/248307977.db2.gz ORGIXRPLYLZEIC-XJKSGUPXSA-N 1 0 340.383 2.656 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000266371326 248269729 /nfs/dbraw/zinc/26/97/29/248269729.db2.gz LUTHQHLESITPCG-UHFFFAOYSA-N 1 0 335.404 2.660 20 5 EFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000267361266 296250451 /nfs/dbraw/zinc/25/04/51/296250451.db2.gz HBBWDGRBCJTATF-GFCCVEGCSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266531631 248348433 /nfs/dbraw/zinc/34/84/33/248348433.db2.gz MIPQCJZAVOPPCU-DLBZAZTESA-N 1 0 332.404 2.625 20 5 EFBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000266717556 248421693 /nfs/dbraw/zinc/42/16/93/248421693.db2.gz KWDUHADWVODLSD-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO NC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435599973 249383779 /nfs/dbraw/zinc/38/37/79/249383779.db2.gz ZNFGNYIYLSCZCS-OAHLLOKOSA-N 1 0 346.431 2.903 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616253 218154672 /nfs/dbraw/zinc/15/46/72/218154672.db2.gz MQZTULBICIIESJ-CQSZACIVSA-N 1 0 341.358 2.866 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 ZINC000443340407 250185422 /nfs/dbraw/zinc/18/54/22/250185422.db2.gz GFAINKKAICBDHS-MRVPVSSYSA-N 1 0 345.222 2.966 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444019666 250249062 /nfs/dbraw/zinc/24/90/62/250249062.db2.gz INIQBJXTMKRCTG-UHFFFAOYSA-N 1 0 337.423 2.751 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C3CCOCC3)nc2c1 ZINC000444684749 250328484 /nfs/dbraw/zinc/32/84/84/250328484.db2.gz NSTQABLVEABAJL-INIZCTEOSA-N 1 0 330.388 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)nc2c1 ZINC000444685649 250327088 /nfs/dbraw/zinc/32/70/88/250327088.db2.gz OWKJZKDMMMIMNU-ZBFHGGJFSA-N 1 0 340.387 2.941 20 5 EFBDRO CCOC(=O)C[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444677381 250329031 /nfs/dbraw/zinc/32/90/31/250329031.db2.gz UEAYIMDFCDHRHL-KRWDZBQOSA-N 1 0 348.403 2.929 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000445260440 250399747 /nfs/dbraw/zinc/39/97/47/250399747.db2.gz FKIQMCWDTXZXNL-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000446854534 250536757 /nfs/dbraw/zinc/53/67/57/250536757.db2.gz ZTIFIHPZTSTCSV-LYRGGWFBSA-N 1 0 328.372 2.518 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(O)cc2)n1 ZINC000447528815 250571225 /nfs/dbraw/zinc/57/12/25/250571225.db2.gz KHGIBNACSCDQOO-CVEARBPZSA-N 1 0 330.388 2.813 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CC[NH+](C)C ZINC000447804253 250611367 /nfs/dbraw/zinc/61/13/67/250611367.db2.gz XBIUBRJEXDQVPN-SECBINFHSA-N 1 0 329.784 2.787 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174123934 206989227 /nfs/dbraw/zinc/98/92/27/206989227.db2.gz BSYGOFKWYJZSNU-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000174145019 206992733 /nfs/dbraw/zinc/99/27/33/206992733.db2.gz RFUJCEVRUNTWMZ-UHFFFAOYSA-N 1 0 336.436 2.903 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000449100411 250916295 /nfs/dbraw/zinc/91/62/95/250916295.db2.gz WWKRZLOUURZCSO-CJNGLKHVSA-N 1 0 348.374 2.694 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)NC1CCCCC1 ZINC000449085881 250910929 /nfs/dbraw/zinc/91/09/29/250910929.db2.gz PLJBDIZQGKGTMA-CQSZACIVSA-N 1 0 333.432 2.954 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000174523707 207025418 /nfs/dbraw/zinc/02/54/18/207025418.db2.gz WYMYSVBQGUCKBK-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000449196916 250949013 /nfs/dbraw/zinc/94/90/13/250949013.db2.gz UHMFQTQZPJEHGC-HOCLYGCPSA-N 1 0 334.416 2.844 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1nccn1C ZINC000449266332 250976542 /nfs/dbraw/zinc/97/65/42/250976542.db2.gz VMPDJVZWIOGSEX-KMFMINBZSA-N 1 0 344.415 2.769 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000174645754 207040269 /nfs/dbraw/zinc/04/02/69/207040269.db2.gz UQGVYWCHHQNEGA-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561931 207030125 /nfs/dbraw/zinc/03/01/25/207030125.db2.gz NIVYDNIHPSBCSD-CYBMUJFWSA-N 1 0 335.379 2.682 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174557708 207030278 /nfs/dbraw/zinc/03/02/78/207030278.db2.gz NWIFVPYMPWJBSQ-OAHLLOKOSA-N 1 0 331.416 2.851 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174561942 207030399 /nfs/dbraw/zinc/03/03/99/207030399.db2.gz NIVYDNIHPSBCSD-ZDUSSCGKSA-N 1 0 335.379 2.682 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000174700566 207047332 /nfs/dbraw/zinc/04/73/32/207047332.db2.gz GAOQRGLHSXXZGR-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000174636066 207041189 /nfs/dbraw/zinc/04/11/89/207041189.db2.gz SGODWXSPQCUBOL-NWDGAFQWSA-N 1 0 335.429 2.625 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000174879131 207068872 /nfs/dbraw/zinc/06/88/72/207068872.db2.gz CJQCEFMHUNWZSM-AWEZNQCLSA-N 1 0 332.429 2.906 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449461903 251034728 /nfs/dbraw/zinc/03/47/28/251034728.db2.gz UHHYJOCNWNECIS-RDTXWAMCSA-N 1 0 346.383 2.996 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112560687 207085469 /nfs/dbraw/zinc/08/54/69/207085469.db2.gz YVJUJDHNVPANEW-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267426923 251048383 /nfs/dbraw/zinc/04/83/83/251048383.db2.gz LOXQVIORKNKYOS-CQSZACIVSA-N 1 0 342.399 2.677 20 5 EFBDRO CCN1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449520977 251050940 /nfs/dbraw/zinc/05/09/40/251050940.db2.gz TUNGHZRARJPUGF-NUEKZKHPSA-N 1 0 331.416 2.516 20 5 EFBDRO CO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449503765 251044877 /nfs/dbraw/zinc/04/48/77/251044877.db2.gz PWYSGEURZSYZCN-CXAGYDPISA-N 1 0 344.415 2.852 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449503088 251045384 /nfs/dbraw/zinc/04/53/84/251045384.db2.gz XHNIWXKDHDWMQR-MLGOLLRUSA-N 1 0 336.388 2.708 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445367 251062672 /nfs/dbraw/zinc/06/26/72/251062672.db2.gz PYESYUNBOHTNTN-SKDRFNHKSA-N 1 0 333.310 2.703 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449563238 251067645 /nfs/dbraw/zinc/06/76/45/251067645.db2.gz SVWVZKUNIQQNAF-STQMWFEESA-N 1 0 345.403 2.879 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449566468 251067756 /nfs/dbraw/zinc/06/77/56/251067756.db2.gz OLSXQVYNWVNDQC-SNVBAGLBSA-N 1 0 334.401 2.576 20 5 EFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000449569499 251068828 /nfs/dbraw/zinc/06/88/28/251068828.db2.gz BYSBNALBHMSIFB-HUUCEWRRSA-N 1 0 334.397 2.515 20 5 EFBDRO CCCNC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175046573 207088331 /nfs/dbraw/zinc/08/83/31/207088331.db2.gz WDQJXNJOVLFIOT-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449574278 251069475 /nfs/dbraw/zinc/06/94/75/251069475.db2.gz UIJSIHMHOSDARS-TYNCELHUSA-N 1 0 343.387 2.804 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449569086 251070017 /nfs/dbraw/zinc/07/00/17/251070017.db2.gz GDWVNVHNMIGBAL-JMSVASOKSA-N 1 0 343.387 2.804 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449636948 251088547 /nfs/dbraw/zinc/08/85/47/251088547.db2.gz FOJYBJDGYOFYBL-RWMBFGLXSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@H]1CCOC1 ZINC000449680175 251113531 /nfs/dbraw/zinc/11/35/31/251113531.db2.gz GICUBYQCAKCUJV-KGLIPLIRSA-N 1 0 335.404 2.718 20 5 EFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C[NH3+])CCC1 ZINC000449677517 251113540 /nfs/dbraw/zinc/11/35/40/251113540.db2.gz MXHIXWKDEFKBPE-UHFFFAOYSA-N 1 0 346.412 2.672 20 5 EFBDRO Cn1cc(C[NH2+]CCC[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449685312 251115336 /nfs/dbraw/zinc/11/53/36/251115336.db2.gz SBQHPROEDDPRCW-AWEZNQCLSA-N 1 0 344.415 2.902 20 5 EFBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449694129 251119916 /nfs/dbraw/zinc/11/99/16/251119916.db2.gz GACLUKXBNSUHQT-SFHVURJKSA-N 1 0 346.383 2.686 20 5 EFBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449694128 251120164 /nfs/dbraw/zinc/12/01/64/251120164.db2.gz GACLUKXBNSUHQT-GOSISDBHSA-N 1 0 346.383 2.686 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267525667 251128005 /nfs/dbraw/zinc/12/80/05/251128005.db2.gz NXNHLOUTGOBIOW-CQSZACIVSA-N 1 0 348.403 2.838 20 5 EFBDRO Cn1cc(C[NH2+]CC(C)(C)C(C)(C)O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449721336 251130391 /nfs/dbraw/zinc/13/03/91/251130391.db2.gz JQLNUWKZZHEZPB-UHFFFAOYSA-N 1 0 346.431 2.882 20 5 EFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449711157 251126360 /nfs/dbraw/zinc/12/63/60/251126360.db2.gz CVOHWYSIESSAFI-CMPLNLGQSA-N 1 0 346.412 2.576 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449754165 251142852 /nfs/dbraw/zinc/14/28/52/251142852.db2.gz KYYCRNQAJXCLDC-ROUUACIJSA-N 1 0 340.379 2.983 20 5 EFBDRO CCOc1cccc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000449764206 251148046 /nfs/dbraw/zinc/14/80/46/251148046.db2.gz ZODLBMMJWQTMJI-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO COc1cc(CNCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000449782878 251154918 /nfs/dbraw/zinc/15/49/18/251154918.db2.gz MLEZHTGANUJAGP-UHFFFAOYSA-N 1 0 337.420 2.576 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000449915704 251198603 /nfs/dbraw/zinc/19/86/03/251198603.db2.gz YPGIPZFYXFFMLD-UHFFFAOYSA-N 1 0 333.310 2.732 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000175905793 207172996 /nfs/dbraw/zinc/17/29/96/207172996.db2.gz MLNJVDCKQOEYDJ-UKRRQHHQSA-N 1 0 348.447 2.995 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000357091777 284896158 /nfs/dbraw/zinc/89/61/58/284896158.db2.gz CIVIPAGMPCQDBD-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000176137778 207193222 /nfs/dbraw/zinc/19/32/22/207193222.db2.gz KMOGZVPTXSYSJV-QWHCGFSZSA-N 1 0 334.420 2.746 20 5 EFBDRO COC(=O)Cc1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000450243353 251312561 /nfs/dbraw/zinc/31/25/61/251312561.db2.gz RMAFJTTZKDBKBT-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000450250599 251315946 /nfs/dbraw/zinc/31/59/46/251315946.db2.gz LVMQAKBRHNDWDO-CYBMUJFWSA-N 1 0 335.404 2.597 20 5 EFBDRO CC[C@@H](CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000450256641 251318877 /nfs/dbraw/zinc/31/88/77/251318877.db2.gz HZGLCMWPOJMHTR-AWEZNQCLSA-N 1 0 335.404 2.597 20 5 EFBDRO Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450217575 251302639 /nfs/dbraw/zinc/30/26/39/251302639.db2.gz UJRNTWLSIIFCAU-INIZCTEOSA-N 1 0 327.388 2.942 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450380055 251367077 /nfs/dbraw/zinc/36/70/77/251367077.db2.gz PXAQHRYKKRUSHX-AWEZNQCLSA-N 1 0 328.416 2.955 20 5 EFBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000450349856 251355336 /nfs/dbraw/zinc/35/53/36/251355336.db2.gz VPNCRPAQQBEFTI-CYBMUJFWSA-N 1 0 330.388 2.523 20 5 EFBDRO Cc1nc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450419029 251381047 /nfs/dbraw/zinc/38/10/47/251381047.db2.gz NFMREYUDSJGIFY-KGLIPLIRSA-N 1 0 341.415 2.792 20 5 EFBDRO Cc1cccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176694183 207251608 /nfs/dbraw/zinc/25/16/08/207251608.db2.gz ISDHOFIFGRCUQO-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000176720404 207252603 /nfs/dbraw/zinc/25/26/03/207252603.db2.gz YTAUULFGDGJPEX-LSDHHAIUSA-N 1 0 348.447 2.947 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3OCCCO3)CC2)cc1 ZINC000267939349 251470232 /nfs/dbraw/zinc/47/02/32/251470232.db2.gz NNVVQRQJVDPTBS-UHFFFAOYSA-N 1 0 336.388 2.591 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176749700 207258084 /nfs/dbraw/zinc/25/80/84/207258084.db2.gz GQLFXPBNIGZVBB-GJZGRUSLSA-N 1 0 348.447 2.947 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@]3(O)CCSC3)o2)c1 ZINC000176752937 207258527 /nfs/dbraw/zinc/25/85/27/207258527.db2.gz CDFCJTXRAXPTDW-INIZCTEOSA-N 1 0 334.397 2.812 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177100471 207293687 /nfs/dbraw/zinc/29/36/87/207293687.db2.gz GFPGHHXJIFDSQC-PWSUYJOCSA-N 1 0 337.807 2.532 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000177301909 207318469 /nfs/dbraw/zinc/31/84/69/207318469.db2.gz SOYNYWIKGUFUTI-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177275113 207315421 /nfs/dbraw/zinc/31/54/21/207315421.db2.gz QGUNATDTSKFPDW-OUCADQQQSA-N 1 0 335.429 2.603 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000177349182 207325313 /nfs/dbraw/zinc/32/53/13/207325313.db2.gz ZOFJZDSTGAYJQI-UHFFFAOYSA-N 1 0 345.403 2.893 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000177571438 207355832 /nfs/dbraw/zinc/35/58/32/207355832.db2.gz SZFACJNAAYNSOZ-TZMCWYRMSA-N 1 0 337.445 2.676 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177596533 207360355 /nfs/dbraw/zinc/36/03/55/207360355.db2.gz KGYVBRHHCOGDDY-CHWSQXEVSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453302624 252030311 /nfs/dbraw/zinc/03/03/11/252030311.db2.gz DTABLAGMRQXVDV-CHWSQXEVSA-N 1 0 335.433 2.872 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453440735 252037723 /nfs/dbraw/zinc/03/77/23/252037723.db2.gz WBZWSABQKMPHPY-DDUZABMNSA-N 1 0 331.416 2.564 20 5 EFBDRO CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](CC)C3)cc1[N+](=O)[O-] ZINC000177762065 207391271 /nfs/dbraw/zinc/39/12/71/207391271.db2.gz YMFBOICUOKEMRO-JKSUJKDBSA-N 1 0 331.416 2.856 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCSCC1)C1CC1 ZINC000268852888 252300434 /nfs/dbraw/zinc/30/04/34/252300434.db2.gz DAFAUZGXZCEXGK-MRXNPFEDSA-N 1 0 335.473 2.554 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178992300 207561529 /nfs/dbraw/zinc/56/15/29/207561529.db2.gz KKBRCYSWEORXEI-BXUZGUMPSA-N 1 0 335.429 2.745 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180393165 207772708 /nfs/dbraw/zinc/77/27/08/207772708.db2.gz AFGAAVKLGMIZLN-IUODEOHRSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000181482166 207941134 /nfs/dbraw/zinc/94/11/34/207941134.db2.gz DKWCHRIHKAQIJO-HNNXBMFYSA-N 1 0 337.420 2.619 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266699497 285095283 /nfs/dbraw/zinc/09/52/83/285095283.db2.gz GSJBQUJZGLDNPK-UHFFFAOYSA-N 1 0 337.395 2.815 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CC2)C1 ZINC000186994161 533138966 /nfs/dbraw/zinc/13/89/66/533138966.db2.gz MCXWUCQNWJCOAE-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1Cl ZINC000154126569 224207420 /nfs/dbraw/zinc/20/74/20/224207420.db2.gz UAWREOFCSYEVDF-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456164820 255627430 /nfs/dbraw/zinc/62/74/30/255627430.db2.gz COTRPIMTHIQJBO-UHFFFAOYSA-N 1 0 332.404 2.926 20 5 EFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc21 ZINC000456253509 255632072 /nfs/dbraw/zinc/63/20/72/255632072.db2.gz BCWSTOAOXHESBP-OAHLLOKOSA-N 1 0 340.383 2.978 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000456529009 255646714 /nfs/dbraw/zinc/64/67/14/255646714.db2.gz LLAPNJMMKVUWJK-GFCCVEGCSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000456539747 255647230 /nfs/dbraw/zinc/64/72/30/255647230.db2.gz YVWPJQZVPPIREH-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000468587877 256017259 /nfs/dbraw/zinc/01/72/59/256017259.db2.gz QCDWUZHXDCYEHD-UKTHLTGXSA-N 1 0 327.388 2.644 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000119247052 221276197 /nfs/dbraw/zinc/27/61/97/221276197.db2.gz DBVDDQMJXQPIEP-UTUOFQBUSA-N 1 0 349.387 2.676 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccnc1 ZINC000181665603 533223753 /nfs/dbraw/zinc/22/37/53/533223753.db2.gz NGOVFWVPSPJYRM-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO C[C@H]([C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192836733 299608854 /nfs/dbraw/zinc/60/88/54/299608854.db2.gz CVEWXNCNPNMPIQ-PMUMKWKESA-N 1 0 333.432 2.671 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCN1CCOCC1 ZINC000344855913 533385320 /nfs/dbraw/zinc/38/53/20/533385320.db2.gz LDBNYKJUDBGPNX-RTYFKUQISA-N 1 0 333.432 2.699 20 5 EFBDRO COc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000192633276 533402391 /nfs/dbraw/zinc/40/23/91/533402391.db2.gz YUWKYCQDGHBKOR-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000435056646 533406879 /nfs/dbraw/zinc/40/68/79/533406879.db2.gz NAUGUSUIENBJQG-RBFDBLARSA-N 1 0 333.432 2.651 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425346697 533407601 /nfs/dbraw/zinc/40/76/01/533407601.db2.gz GIAMJWBTTCWNMF-IDKBZEPQSA-N 1 0 327.388 2.927 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425346704 533407680 /nfs/dbraw/zinc/40/76/80/533407680.db2.gz GIAMJWBTTCWNMF-SHRNQRGKSA-N 1 0 327.388 2.927 20 5 EFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000129257866 533606836 /nfs/dbraw/zinc/60/68/36/533606836.db2.gz ZQTGPBWGHOGLPA-CZUORRHYSA-N 1 0 340.445 2.879 20 5 EFBDRO COc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000189819789 533663620 /nfs/dbraw/zinc/66/36/20/533663620.db2.gz IIHKEJJXCINEAA-SFHVURJKSA-N 1 0 330.384 2.991 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261580826 296497781 /nfs/dbraw/zinc/49/77/81/296497781.db2.gz FOVXVNZITFDHHQ-ONGXEEELSA-N 1 0 326.194 2.546 20 5 EFBDRO Cc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000325040186 141499647 /nfs/dbraw/zinc/49/96/47/141499647.db2.gz PHNAUPVEXDDKPP-UHFFFAOYSA-N 1 0 328.372 2.882 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000326328521 141501922 /nfs/dbraw/zinc/50/19/22/141501922.db2.gz CXDGRJNONHGYHX-ZDUSSCGKSA-N 1 0 336.436 2.877 20 5 EFBDRO C[C@H](NC(=O)c1cccn1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000327396390 141504551 /nfs/dbraw/zinc/50/45/51/141504551.db2.gz ZRNGKQVDIUQUKH-ZDUSSCGKSA-N 1 0 342.399 2.812 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508682 141807370 /nfs/dbraw/zinc/80/73/70/141807370.db2.gz YUQYGTWPCMNPBD-WCQYABFASA-N 1 0 346.836 2.694 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343400985 141989871 /nfs/dbraw/zinc/98/98/71/141989871.db2.gz LCWNVRNQJFVGIE-LSDHHAIUSA-N 1 0 334.351 2.570 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000344427910 142014718 /nfs/dbraw/zinc/01/47/18/142014718.db2.gz JWCRJRCBBIZTJF-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC(C)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000344561668 142040762 /nfs/dbraw/zinc/04/07/62/142040762.db2.gz SPQKIJQETJJGIM-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO CCOC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000344575773 142042761 /nfs/dbraw/zinc/04/27/61/142042761.db2.gz CACQHXSFWRDZFO-CQSZACIVSA-N 1 0 336.413 2.810 20 5 EFBDRO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663661 142057657 /nfs/dbraw/zinc/05/76/57/142057657.db2.gz IBSUTMMRLBAVKB-CMPLNLGQSA-N 1 0 329.347 2.769 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344702137 142063524 /nfs/dbraw/zinc/06/35/24/142063524.db2.gz RXVIQPVSJPZVES-HZPDHXFCSA-N 1 0 344.415 2.898 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000344721273 142066986 /nfs/dbraw/zinc/06/69/86/142066986.db2.gz SAFMFKZQVBQGQY-HNNXBMFYSA-N 1 0 337.395 2.513 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000344751334 142072304 /nfs/dbraw/zinc/07/23/04/142072304.db2.gz OZHIAFXRBSDYGL-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000354406931 146705931 /nfs/dbraw/zinc/70/59/31/146705931.db2.gz SEOJGOYEVZZBNN-JSGCOSHPSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345960505 142124447 /nfs/dbraw/zinc/12/44/47/142124447.db2.gz NZBPNZXVRMLYSU-OLZOCXBDSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345960507 142124619 /nfs/dbraw/zinc/12/46/19/142124619.db2.gz NZBPNZXVRMLYSU-QWHCGFSZSA-N 1 0 337.445 2.628 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000345974125 142126309 /nfs/dbraw/zinc/12/63/09/142126309.db2.gz XPXQNQLNHSOQTB-NEPJUHHUSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000345974126 142126504 /nfs/dbraw/zinc/12/65/04/142126504.db2.gz XPXQNQLNHSOQTB-NWDGAFQWSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345975093 142126788 /nfs/dbraw/zinc/12/67/88/142126788.db2.gz XVNALAUNHQNWLS-GJZGRUSLSA-N 1 0 348.447 2.728 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000346003915 142131250 /nfs/dbraw/zinc/13/12/50/142131250.db2.gz YMGMVHYNRLRYDC-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346005011 142131958 /nfs/dbraw/zinc/13/19/58/142131958.db2.gz YMGMVHYNRLRYDC-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346152995 142156355 /nfs/dbraw/zinc/15/63/55/142156355.db2.gz FKUFKWURNFBULZ-OZVIIMIRSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346165839 142158706 /nfs/dbraw/zinc/15/87/06/142158706.db2.gz RHIPCYWWIWVWKC-DXCKQFNASA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000346253132 142176901 /nfs/dbraw/zinc/17/69/01/142176901.db2.gz ZTOLBCMLXKUKEX-GRDNDAEWSA-N 1 0 331.416 2.706 20 5 EFBDRO CCc1ccc([C@@H]([NH2+]CCCNC(C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346493128 142211915 /nfs/dbraw/zinc/21/19/15/142211915.db2.gz SAROJPHUTGRPTA-SFHVURJKSA-N 1 0 345.399 2.955 20 5 EFBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000347419882 142213378 /nfs/dbraw/zinc/21/33/78/142213378.db2.gz BQTMCRRZTXONID-UHFFFAOYSA-N 1 0 349.431 2.764 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347426572 142214410 /nfs/dbraw/zinc/21/44/10/142214410.db2.gz BUOQVRGWQBAWGY-STQMWFEESA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H]1CCC[C@@](CNc2ncnc3cccc([N+](=O)[O-])c32)([NH+](C)C)C1 ZINC000347430150 142215069 /nfs/dbraw/zinc/21/50/69/142215069.db2.gz NAFGUXUMHVCVAO-SCLBCKFNSA-N 1 0 343.431 2.882 20 5 EFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)c1Br)C(C)C ZINC000347436714 142216396 /nfs/dbraw/zinc/21/63/96/142216396.db2.gz UQARSWWYAVVXQN-UHFFFAOYSA-N 1 0 345.241 2.625 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347490097 142225550 /nfs/dbraw/zinc/22/55/50/142225550.db2.gz ZEOXFMNPTJKWDB-IRXDYDNUSA-N 1 0 344.415 2.969 20 5 EFBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000347565955 142236903 /nfs/dbraw/zinc/23/69/03/142236903.db2.gz MHIMTQHANAJODC-CHWSQXEVSA-N 1 0 333.388 2.871 20 5 EFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347573395 142238158 /nfs/dbraw/zinc/23/81/58/142238158.db2.gz ZXDGYFQKDXSAQE-RYUDHWBXSA-N 1 0 344.371 2.676 20 5 EFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347573393 142238185 /nfs/dbraw/zinc/23/81/85/142238185.db2.gz ZXDGYFQKDXSAQE-NEPJUHHUSA-N 1 0 344.371 2.676 20 5 EFBDRO CC[C@H]1CN(CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000347617590 142245690 /nfs/dbraw/zinc/24/56/90/142245690.db2.gz WACRFGXKGIPADE-HNNXBMFYSA-N 1 0 349.431 2.559 20 5 EFBDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347664033 142253603 /nfs/dbraw/zinc/25/36/03/142253603.db2.gz OQRQNFWIHYYADC-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347674696 142254673 /nfs/dbraw/zinc/25/46/73/142254673.db2.gz UXGHUPHMWFMRTN-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO CS[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000347772883 142269438 /nfs/dbraw/zinc/26/94/38/142269438.db2.gz YLOXCQXHKWPUQF-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO CS[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000347772869 142269716 /nfs/dbraw/zinc/26/97/16/142269716.db2.gz YLOXCQXHKWPUQF-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C=C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000347779858 142270732 /nfs/dbraw/zinc/27/07/32/142270732.db2.gz QHBIPUVRMYAANQ-STQMWFEESA-N 1 0 344.367 2.890 20 5 EFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000347901109 142289641 /nfs/dbraw/zinc/28/96/41/142289641.db2.gz MJDZYVPDQLKGJB-UHFFFAOYSA-N 1 0 344.415 2.907 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347923660 142293942 /nfs/dbraw/zinc/29/39/42/142293942.db2.gz PMPAYCQEADAMAK-LBPRGKRZSA-N 1 0 325.384 2.686 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000347944237 142297593 /nfs/dbraw/zinc/29/75/93/142297593.db2.gz PRRFEKRJFYBWCH-LBPRGKRZSA-N 1 0 325.384 2.684 20 5 EFBDRO C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000347987134 142304557 /nfs/dbraw/zinc/30/45/57/142304557.db2.gz BAHUSWIZYDIZKE-RYUDHWBXSA-N 1 0 335.379 2.604 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000349649556 142343520 /nfs/dbraw/zinc/34/35/20/142343520.db2.gz CUHHJNPVHOPKDQ-GFCCVEGCSA-N 1 0 325.368 2.732 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000354443195 146714337 /nfs/dbraw/zinc/71/43/37/146714337.db2.gz WTUMRVVBMLPUAV-TZMCWYRMSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000350016564 142390135 /nfs/dbraw/zinc/39/01/35/142390135.db2.gz NHWHLXDAYQJNJX-LBPRGKRZSA-N 1 0 343.387 2.802 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000338424150 144669900 /nfs/dbraw/zinc/66/99/00/144669900.db2.gz URDAIOGSGKBAOS-OAHLLOKOSA-N 1 0 348.447 2.517 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341166985 145004856 /nfs/dbraw/zinc/00/48/56/145004856.db2.gz OEDYRMUFYHRYBM-HOCLYGCPSA-N 1 0 348.447 2.699 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000341208179 145012900 /nfs/dbraw/zinc/01/29/00/145012900.db2.gz KXIOSONMWNPHSR-NSHDSACASA-N 1 0 329.356 2.553 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000341287751 145026983 /nfs/dbraw/zinc/02/69/83/145026983.db2.gz MWERMRQTDUVASU-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO CN(C)C(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000341446694 145053381 /nfs/dbraw/zinc/05/33/81/145053381.db2.gz BPKBBEQJVNWRHC-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCCC1 ZINC000341450918 145054472 /nfs/dbraw/zinc/05/44/72/145054472.db2.gz CUSOYRFZVWHUBH-CYBMUJFWSA-N 1 0 343.383 2.955 20 5 EFBDRO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342084540 145059264 /nfs/dbraw/zinc/05/92/64/145059264.db2.gz LRSHQIACCKWUHW-ZDUSSCGKSA-N 1 0 328.372 2.802 20 5 EFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@H]1CCCC2 ZINC000342149777 145071285 /nfs/dbraw/zinc/07/12/85/145071285.db2.gz GRXMWCLMYMVUGB-RDTXWAMCSA-N 1 0 348.399 2.769 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@@H](C)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000342204295 145080048 /nfs/dbraw/zinc/08/00/48/145080048.db2.gz PAURDXPOSYNBIX-LBPRGKRZSA-N 1 0 333.388 2.903 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000342208859 145080643 /nfs/dbraw/zinc/08/06/43/145080643.db2.gz NZTWMSLOMRKLDC-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342361678 145108741 /nfs/dbraw/zinc/10/87/41/145108741.db2.gz LRWJQUMSDWSMKB-MLGOLLRUSA-N 1 0 346.431 2.612 20 5 EFBDRO CN(C(=O)CSc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342484041 145135857 /nfs/dbraw/zinc/13/58/57/145135857.db2.gz JQKRNYYFVVVLQB-PBWFPOADSA-N 1 0 349.456 2.771 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000342592930 145155405 /nfs/dbraw/zinc/15/54/05/145155405.db2.gz JMBXWHOKXQPQKH-STQMWFEESA-N 1 0 331.416 2.614 20 5 EFBDRO CN(CC[C@@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000342605304 145157903 /nfs/dbraw/zinc/15/79/03/145157903.db2.gz OAFFKDVPXYXEQB-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000342724608 145179804 /nfs/dbraw/zinc/17/98/04/145179804.db2.gz KXZHXJWSWDIVKT-CABCVRRESA-N 1 0 345.374 2.781 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000342789557 145193849 /nfs/dbraw/zinc/19/38/49/145193849.db2.gz QPZFANIEVIBMJV-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000342789478 145193908 /nfs/dbraw/zinc/19/39/08/145193908.db2.gz BVQQDTSXLLDVKE-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO NC(=O)c1cccc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000342846011 145207949 /nfs/dbraw/zinc/20/79/49/145207949.db2.gz HRLKJOCEVUSNJL-UHFFFAOYSA-N 1 0 346.431 2.903 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342931836 145223243 /nfs/dbraw/zinc/22/32/43/145223243.db2.gz CWVAFMMKZZPSAO-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000343541562 145233525 /nfs/dbraw/zinc/23/35/25/145233525.db2.gz HFKUTKLHGPQKRQ-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000343556190 145237323 /nfs/dbraw/zinc/23/73/23/145237323.db2.gz BMTJAWIGHFBDHL-HNNXBMFYSA-N 1 0 346.431 2.773 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343565637 145240011 /nfs/dbraw/zinc/24/00/11/145240011.db2.gz RYBUIYJIJYCBIQ-TYNCELHUSA-N 1 0 337.445 2.674 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000343570808 145240951 /nfs/dbraw/zinc/24/09/51/145240951.db2.gz ACOQAIFPYDOONZ-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000343571727 145241045 /nfs/dbraw/zinc/24/10/45/145241045.db2.gz JMUHKGRZWMEOPC-CVEARBPZSA-N 1 0 328.368 2.782 20 5 EFBDRO CCOC(=O)c1cc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000343869935 145312788 /nfs/dbraw/zinc/31/27/88/145312788.db2.gz WZGCUIIJKZOVNB-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000344056725 145357165 /nfs/dbraw/zinc/35/71/65/145357165.db2.gz KBODISARKDKEQV-ZDUSSCGKSA-N 1 0 331.416 2.852 20 5 EFBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344096976 145367511 /nfs/dbraw/zinc/36/75/11/145367511.db2.gz XMHSVPWMVRFAIT-CYBMUJFWSA-N 1 0 340.445 2.737 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000344132703 145376061 /nfs/dbraw/zinc/37/60/61/145376061.db2.gz WVLIIDJMIOGXHX-ULQDDVLXSA-N 1 0 331.416 2.640 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000344132706 145376062 /nfs/dbraw/zinc/37/60/62/145376062.db2.gz WVLIIDJMIOGXHX-YESZJQIVSA-N 1 0 331.416 2.640 20 5 EFBDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000344169986 145384087 /nfs/dbraw/zinc/38/40/87/145384087.db2.gz XUXRTPOTLUNAJX-NSHDSACASA-N 1 0 349.387 2.630 20 5 EFBDRO CC1CC[NH+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347395105 145858064 /nfs/dbraw/zinc/85/80/64/145858064.db2.gz COCCBNRJACDEGL-UHFFFAOYSA-N 1 0 343.431 2.884 20 5 EFBDRO CCOc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1OC ZINC000348904382 146022337 /nfs/dbraw/zinc/02/23/37/146022337.db2.gz LVHQRNQQJWRDIH-UHFFFAOYSA-N 1 0 345.399 2.967 20 5 EFBDRO Cc1ccn2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cnc2c1 ZINC000348903483 146022437 /nfs/dbraw/zinc/02/24/37/146022437.db2.gz HHFHRBJTFRBLKH-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO Cc1cccn2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cnc12 ZINC000348921517 146024465 /nfs/dbraw/zinc/02/44/65/146024465.db2.gz NSLVEZIETIDEAV-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351093063 146109740 /nfs/dbraw/zinc/10/97/40/146109740.db2.gz ANJCOSHSFOMLKE-MRXNPFEDSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351144395 146112836 /nfs/dbraw/zinc/11/28/36/146112836.db2.gz MEVGGJFVSRZBAQ-MRXNPFEDSA-N 1 0 335.404 2.589 20 5 EFBDRO Cc1nccn1CCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351498214 146131650 /nfs/dbraw/zinc/13/16/50/146131650.db2.gz BBPFGEQRUGLROT-HOTGVXAUSA-N 1 0 346.435 2.850 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000351516438 146136497 /nfs/dbraw/zinc/13/64/97/146136497.db2.gz JRMJEGWOROYUCC-ZIAGYGMSSA-N 1 0 344.371 2.794 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351525437 146138290 /nfs/dbraw/zinc/13/82/90/146138290.db2.gz SASYLAVDQRRWBO-YLVFBTJISA-N 1 0 346.387 2.847 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351525435 146138657 /nfs/dbraw/zinc/13/86/57/146138657.db2.gz SASYLAVDQRRWBO-KHIZAZIESA-N 1 0 346.387 2.847 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351614908 146159185 /nfs/dbraw/zinc/15/91/85/146159185.db2.gz KDNZNXXEAFUCIQ-RYUDHWBXSA-N 1 0 339.823 2.780 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351745383 146193527 /nfs/dbraw/zinc/19/35/27/146193527.db2.gz YNXYENNPTGXJBY-ABAIWWIYSA-N 1 0 336.367 2.824 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000351750295 146194646 /nfs/dbraw/zinc/19/46/46/146194646.db2.gz VCLZSIJYYOOVSM-ZDUSSCGKSA-N 1 0 336.367 2.826 20 5 EFBDRO CC(=O)NC1CCC(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351750761 146195265 /nfs/dbraw/zinc/19/52/65/146195265.db2.gz ASIYFDDCAGKUND-UHFFFAOYSA-N 1 0 341.358 2.752 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000351944909 146243703 /nfs/dbraw/zinc/24/37/03/146243703.db2.gz NOKQTOHTZNTSCZ-ZIAGYGMSSA-N 1 0 344.415 2.817 20 5 EFBDRO CCOC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000351947696 146244355 /nfs/dbraw/zinc/24/43/55/146244355.db2.gz UZBKBYNUTHJYNF-UHFFFAOYSA-N 1 0 344.314 2.629 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352109343 146291581 /nfs/dbraw/zinc/29/15/81/146291581.db2.gz HJKDCGQICDAXCP-UKRRQHHQSA-N 1 0 342.399 2.563 20 5 EFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000352844040 146331523 /nfs/dbraw/zinc/33/15/23/146331523.db2.gz ABEQLEMRWKRNDV-HKUYNNGSSA-N 1 0 339.395 2.895 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352880938 146339937 /nfs/dbraw/zinc/33/99/37/146339937.db2.gz YNPTWUNFOYXZBR-QGZVFWFLSA-N 1 0 346.387 2.772 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](CO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000353103320 146396968 /nfs/dbraw/zinc/39/69/68/146396968.db2.gz COAQWZOADGEIGV-CYBMUJFWSA-N 1 0 346.383 2.972 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000355593654 147006522 /nfs/dbraw/zinc/00/65/22/147006522.db2.gz CVDNMZNIBLYGEO-CQSZACIVSA-N 1 0 336.388 2.767 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355608527 147011259 /nfs/dbraw/zinc/01/12/59/147011259.db2.gz PFVHQMFMAGKYIM-CHWSQXEVSA-N 1 0 336.388 2.672 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000355765200 147056876 /nfs/dbraw/zinc/05/68/76/147056876.db2.gz YLFDMSLISORSLT-GOSISDBHSA-N 1 0 349.431 2.715 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355779264 147061047 /nfs/dbraw/zinc/06/10/47/147061047.db2.gz ZHEQXECWSDHUHY-QWHCGFSZSA-N 1 0 336.388 2.625 20 5 EFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000355960799 147109777 /nfs/dbraw/zinc/10/97/77/147109777.db2.gz VHIVQJFPHTYHPZ-ZDUSSCGKSA-N 1 0 332.404 2.790 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356085384 147142763 /nfs/dbraw/zinc/14/27/63/147142763.db2.gz AQKHKZUOLQLXHG-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000356188027 147171108 /nfs/dbraw/zinc/17/11/08/147171108.db2.gz CQWCQWZQDYADGS-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000356323075 147212455 /nfs/dbraw/zinc/21/24/55/147212455.db2.gz IUXWEJXBVCYEOP-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO CC[N@H+](CCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1)CC1CC1 ZINC000356799363 147339323 /nfs/dbraw/zinc/33/93/23/147339323.db2.gz XQQDVWZMVNLTJO-UHFFFAOYSA-N 1 0 335.452 2.667 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000356815153 147343275 /nfs/dbraw/zinc/34/32/75/147343275.db2.gz PFOAZISYEGYPIQ-UHFFFAOYSA-N 1 0 337.401 2.843 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357097697 147425166 /nfs/dbraw/zinc/42/51/66/147425166.db2.gz GYFCLYRNCOOTSK-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000358327285 147772537 /nfs/dbraw/zinc/77/25/37/147772537.db2.gz FYGDVLFBXQWHMT-CHWSQXEVSA-N 1 0 337.395 2.656 20 5 EFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000358738034 147883510 /nfs/dbraw/zinc/88/35/10/147883510.db2.gz QZUMXLOXHHZKTG-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO COc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000359086742 147990154 /nfs/dbraw/zinc/99/01/54/147990154.db2.gz MJBVOIWSKZLDEZ-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359200536 148021932 /nfs/dbraw/zinc/02/19/32/148021932.db2.gz YZUWYXTZVVTXIL-CYBMUJFWSA-N 1 0 336.436 2.679 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359200537 148022201 /nfs/dbraw/zinc/02/22/01/148022201.db2.gz YZUWYXTZVVTXIL-ZDUSSCGKSA-N 1 0 336.436 2.679 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000359234018 148031489 /nfs/dbraw/zinc/03/14/89/148031489.db2.gz KNAQQYZGHFIMRR-GXTWGEPZSA-N 1 0 337.445 2.676 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000359466492 148093101 /nfs/dbraw/zinc/09/31/01/148093101.db2.gz NUGSGTOGXSPXEI-HNNXBMFYSA-N 1 0 343.387 2.709 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](C1CC1)[NH+](C)C ZINC000359485758 148098280 /nfs/dbraw/zinc/09/82/80/148098280.db2.gz GGTJHCYSWNCMGR-CQSZACIVSA-N 1 0 339.367 2.663 20 5 EFBDRO Cc1c(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000359534479 148114199 /nfs/dbraw/zinc/11/41/99/148114199.db2.gz RZHZIEBUVONHMW-MRXNPFEDSA-N 1 0 348.447 2.919 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359537825 148115272 /nfs/dbraw/zinc/11/52/72/148115272.db2.gz ZXWJQRMAZVZBQP-UHFFFAOYSA-N 1 0 336.436 2.777 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000359541795 148116301 /nfs/dbraw/zinc/11/63/01/148116301.db2.gz KJXKLEUKDWEQEK-XJKSGUPXSA-N 1 0 348.447 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000359620667 148142554 /nfs/dbraw/zinc/14/25/54/148142554.db2.gz ZFGZQYRZZSSDDC-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CCOCC3)o2)cc1 ZINC000359946906 148231231 /nfs/dbraw/zinc/23/12/31/148231231.db2.gz NBWGXGJRELVXLE-KRWDZBQOSA-N 1 0 346.383 2.732 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000359993198 148244966 /nfs/dbraw/zinc/24/49/66/148244966.db2.gz QKAHGHUQPUGMOF-UHFFFAOYSA-N 1 0 345.443 2.860 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000360136616 148280628 /nfs/dbraw/zinc/28/06/28/148280628.db2.gz PDDWDJIBTQHKKO-ZDUSSCGKSA-N 1 0 336.436 2.858 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000360391102 148349696 /nfs/dbraw/zinc/34/96/96/148349696.db2.gz BTEUPUNPHLAILA-NEPJUHHUSA-N 1 0 336.392 2.550 20 5 EFBDRO CO[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361134829 148551408 /nfs/dbraw/zinc/55/14/08/148551408.db2.gz BDMAWUYCQCYSRG-SFHVURJKSA-N 1 0 344.415 2.900 20 5 EFBDRO CNc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361172423 148562652 /nfs/dbraw/zinc/56/26/52/148562652.db2.gz SKXDPBMJIRUYQP-KBPBESRZSA-N 1 0 348.447 2.734 20 5 EFBDRO CCOC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363965520 149038784 /nfs/dbraw/zinc/03/87/84/149038784.db2.gz ZDMAXOHIYHMFDH-UONOGXRCSA-N 1 0 333.388 2.810 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cccc([N+](=O)[O-])c2n1 ZINC000364031899 149051460 /nfs/dbraw/zinc/05/14/60/149051460.db2.gz CMIOYAUELJDUMG-KGLIPLIRSA-N 1 0 342.399 2.727 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)o1 ZINC000364506983 149171049 /nfs/dbraw/zinc/17/10/49/149171049.db2.gz HLDOORSJDGNNBT-ZDUSSCGKSA-N 1 0 339.355 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000365160838 149333420 /nfs/dbraw/zinc/33/34/20/149333420.db2.gz SREPNZBWSAKSLV-UHFFFAOYSA-N 1 0 330.388 2.897 20 5 EFBDRO CSc1cccc(N(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC[NH+](C)CC2)c1 ZINC000365238346 149351045 /nfs/dbraw/zinc/35/10/45/149351045.db2.gz HFRNYVQNGLILKP-HZPDHXFCSA-N 1 0 349.456 2.501 20 5 EFBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368067734 150025913 /nfs/dbraw/zinc/02/59/13/150025913.db2.gz AKSJEHNBNSNNIY-ZWKOTPCHSA-N 1 0 343.427 2.722 20 5 EFBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000368131477 150046371 /nfs/dbraw/zinc/04/63/71/150046371.db2.gz AKCJCFLVRAHPMV-GFCCVEGCSA-N 1 0 329.356 2.552 20 5 EFBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000368135134 150047662 /nfs/dbraw/zinc/04/76/62/150047662.db2.gz OPSBFKRAGPBAGL-LBPRGKRZSA-N 1 0 329.356 2.552 20 5 EFBDRO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000368316713 150093099 /nfs/dbraw/zinc/09/30/99/150093099.db2.gz SCMCHAQERGTBSM-ZDUSSCGKSA-N 1 0 349.406 2.924 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000368359067 150100959 /nfs/dbraw/zinc/10/09/59/150100959.db2.gz AXJDYTNZAUPTOG-GFCCVEGCSA-N 1 0 348.378 2.541 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368686350 150181696 /nfs/dbraw/zinc/18/16/96/150181696.db2.gz WEKDNUDUZXOVQV-GOEBONIOSA-N 1 0 346.431 2.844 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000368694364 150184160 /nfs/dbraw/zinc/18/41/60/150184160.db2.gz YSYWFIPHKCMXEC-RDJZCZTQSA-N 1 0 347.415 2.813 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cccc1[N+](=O)[O-] ZINC000368712559 150188496 /nfs/dbraw/zinc/18/84/96/150188496.db2.gz OSBBUBNMPXSUJB-IBGZPJMESA-N 1 0 337.379 2.999 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000368713386 150189039 /nfs/dbraw/zinc/18/90/39/150189039.db2.gz VKHGQSTURARORB-GOSISDBHSA-N 1 0 341.342 2.830 20 5 EFBDRO CN(C)c1ccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369007580 150255661 /nfs/dbraw/zinc/25/56/61/150255661.db2.gz IWOKIJYLCJUGOX-UHFFFAOYSA-N 1 0 343.431 2.737 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000369223815 150304114 /nfs/dbraw/zinc/30/41/14/150304114.db2.gz HSILIEQBFDKNQX-UNEWFSDZSA-N 1 0 331.416 2.659 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000369489494 150369276 /nfs/dbraw/zinc/36/92/76/150369276.db2.gz GVXMPCUYYGSFOM-UHFFFAOYSA-N 1 0 331.332 2.537 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OC)c1 ZINC000369555336 150385816 /nfs/dbraw/zinc/38/58/16/150385816.db2.gz BIXLHWCFNXCEFN-UHFFFAOYSA-N 1 0 346.387 2.646 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000370786682 150668665 /nfs/dbraw/zinc/66/86/65/150668665.db2.gz KSMLOIBTYJHLNZ-UHFFFAOYSA-N 1 0 337.807 2.534 20 5 EFBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc2ncccc21 ZINC000372858475 151071749 /nfs/dbraw/zinc/07/17/49/151071749.db2.gz RSVSRNAXAIXLEN-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO CN(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373271443 151144609 /nfs/dbraw/zinc/14/46/09/151144609.db2.gz DIMGUUCEWAWWCC-UHFFFAOYSA-N 1 0 329.404 2.565 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCCc2c1cnn2C ZINC000373777877 151224177 /nfs/dbraw/zinc/22/41/77/151224177.db2.gz PJVOCYOKFDSAHE-HNNXBMFYSA-N 1 0 330.388 2.846 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000373783034 151225746 /nfs/dbraw/zinc/22/57/46/151225746.db2.gz OKQXWMWGXMDMJO-INIZCTEOSA-N 1 0 347.415 2.580 20 5 EFBDRO C[NH+]1CCC2(CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374157396 151292838 /nfs/dbraw/zinc/29/28/38/151292838.db2.gz FTHWQTSSJXVJMV-UHFFFAOYSA-N 1 0 333.432 2.781 20 5 EFBDRO COc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000374163210 151294694 /nfs/dbraw/zinc/29/46/94/151294694.db2.gz OSXZFQQLNRQOSW-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO COc1cccc(C2(F)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000374168690 151295370 /nfs/dbraw/zinc/29/53/70/151295370.db2.gz AICDZJDGIFOMTG-UHFFFAOYSA-N 1 0 348.378 2.761 20 5 EFBDRO Cn1ccnc1[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374364502 151331508 /nfs/dbraw/zinc/33/15/08/151331508.db2.gz TZXGMJYUNJMCOP-LBPRGKRZSA-N 1 0 348.790 2.540 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000374469674 151353953 /nfs/dbraw/zinc/35/39/53/151353953.db2.gz TYYIKDIFHNUYOS-UHFFFAOYSA-N 1 0 325.368 2.955 20 5 EFBDRO O=C(CC[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374586077 151375936 /nfs/dbraw/zinc/37/59/36/151375936.db2.gz MJYGOVOOEPVWSB-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000374703880 151399218 /nfs/dbraw/zinc/39/92/18/151399218.db2.gz WJRGFPQOTSDWLQ-ZIAGYGMSSA-N 1 0 335.404 2.731 20 5 EFBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000375121555 151476942 /nfs/dbraw/zinc/47/69/42/151476942.db2.gz RWLQCRPPBBTDEH-IRXDYDNUSA-N 1 0 336.388 2.604 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000376210752 151675628 /nfs/dbraw/zinc/67/56/28/151675628.db2.gz NLHQMOJKMAVXSL-YHWZYXNKSA-N 1 0 337.807 2.662 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000376324785 151695774 /nfs/dbraw/zinc/69/57/74/151695774.db2.gz NQFGINFGZQPHEQ-AWEZNQCLSA-N 1 0 325.796 2.739 20 5 EFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C12CCC[NH+]1CCC2 ZINC000377563180 151897498 /nfs/dbraw/zinc/89/74/98/151897498.db2.gz WYKOHDCZFWHUGJ-UHFFFAOYSA-N 1 0 341.314 2.763 20 5 EFBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000378170435 152025031 /nfs/dbraw/zinc/02/50/31/152025031.db2.gz SCOKGWWOOAAOQC-PBHICJAKSA-N 1 0 329.404 2.648 20 5 EFBDRO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378302884 152051716 /nfs/dbraw/zinc/05/17/16/152051716.db2.gz AYEAMJAVIHXXPM-DLBZAZTESA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000378304130 152052797 /nfs/dbraw/zinc/05/27/97/152052797.db2.gz GSLVYIWGUUPWLU-IRXDYDNUSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000408328882 152176575 /nfs/dbraw/zinc/17/65/75/152176575.db2.gz HOCSXJFEVMELFN-NVXWUHKLSA-N 1 0 346.431 2.529 20 5 EFBDRO CS(=O)(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181793905 286599465 /nfs/dbraw/zinc/59/94/65/286599465.db2.gz VBWSROIZIQCPKQ-QGZVFWFLSA-N 1 0 348.424 2.513 20 5 EFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000124244733 222397174 /nfs/dbraw/zinc/39/71/74/222397174.db2.gz PTAWQMFRNGHHLI-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092506590 544545842 /nfs/dbraw/zinc/54/58/42/544545842.db2.gz FCZKDNSMOWYYEC-SOLBZPMBSA-N 1 0 347.459 2.977 20 5 EFBDRO Cn1cc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000113325399 544569942 /nfs/dbraw/zinc/56/99/42/544569942.db2.gz JGNDPWANBFRJJF-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000174962490 264821677 /nfs/dbraw/zinc/82/16/77/264821677.db2.gz WTUDKONGVYWTTK-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000185406957 265043065 /nfs/dbraw/zinc/04/30/65/265043065.db2.gz VQRHKMFNJYJUNG-LESCRADOSA-N 1 0 347.459 2.962 20 5 EFBDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018686 265054731 /nfs/dbraw/zinc/05/47/31/265054731.db2.gz GYSUSNPMWZBORW-UHFFFAOYSA-N 1 0 334.763 2.639 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187344147 265094203 /nfs/dbraw/zinc/09/42/03/265094203.db2.gz MCZXFGYSVGRNCP-AWEZNQCLSA-N 1 0 349.431 2.939 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000187347516 265095968 /nfs/dbraw/zinc/09/59/68/265095968.db2.gz BRIGFGJDTXMNGO-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189373596 265184622 /nfs/dbraw/zinc/18/46/22/265184622.db2.gz DKXXRSWNIAFPPB-CYBMUJFWSA-N 1 0 335.404 2.941 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000190137893 265211602 /nfs/dbraw/zinc/21/16/02/265211602.db2.gz UEEOBCSLRUZKFA-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@@H]1O ZINC000270073732 265620719 /nfs/dbraw/zinc/62/07/19/265620719.db2.gz IKWLQHCXFSHPIW-HOCLYGCPSA-N 1 0 345.399 2.885 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270096631 265626523 /nfs/dbraw/zinc/62/65/23/265626523.db2.gz KTCQGHDBHCQFFZ-MRXNPFEDSA-N 1 0 331.416 2.707 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000270221753 265656507 /nfs/dbraw/zinc/65/65/07/265656507.db2.gz UAFZSZQGZRPAHZ-CYBMUJFWSA-N 1 0 334.376 2.671 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000270554098 265744757 /nfs/dbraw/zinc/74/47/57/265744757.db2.gz HUYNYPDZAQPTOC-UHFFFAOYSA-N 1 0 345.374 2.603 20 5 EFBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271025880 265880564 /nfs/dbraw/zinc/88/05/64/265880564.db2.gz BDWHRVVFYUEJTQ-VXGBXAGGSA-N 1 0 325.434 2.580 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)CCOC ZINC000271072634 265895538 /nfs/dbraw/zinc/89/55/38/265895538.db2.gz FOOJIYGQBSUMFO-CJNGLKHVSA-N 1 0 342.461 2.843 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)C ZINC000271168671 265905404 /nfs/dbraw/zinc/90/54/04/265905404.db2.gz TUYKMIDAENIKTQ-LBPRGKRZSA-N 1 0 325.434 2.580 20 5 EFBDRO CC(C)N1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000271536608 266002743 /nfs/dbraw/zinc/00/27/43/266002743.db2.gz SRFVMRWAAOXEJT-HOTGVXAUSA-N 1 0 331.416 2.515 20 5 EFBDRO Cc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271560003 266007771 /nfs/dbraw/zinc/00/77/71/266007771.db2.gz WNHVNCAPXHSQIE-YJLNNSPDSA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271559435 266007807 /nfs/dbraw/zinc/00/78/07/266007807.db2.gz XHVPADQUTLYDKS-NWANDNLSSA-N 1 0 340.445 2.910 20 5 EFBDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000271710114 266047359 /nfs/dbraw/zinc/04/73/59/266047359.db2.gz JJILHGAECLMGBB-DOTOQJQBSA-N 1 0 346.431 2.838 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271761457 266055651 /nfs/dbraw/zinc/05/56/51/266055651.db2.gz MLQYWGKYUIZIEE-GJZGRUSLSA-N 1 0 338.795 2.547 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000271979649 266113202 /nfs/dbraw/zinc/11/32/02/266113202.db2.gz JCUVSGVBBZPDPF-UHNFBRDESA-N 1 0 336.388 2.610 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272174112 266178141 /nfs/dbraw/zinc/17/81/41/266178141.db2.gz CIMQTUJFRRFTPI-ZYHUDNBSSA-N 1 0 346.412 2.528 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272215401 266193044 /nfs/dbraw/zinc/19/30/44/266193044.db2.gz QYSVKHWTQODCJI-HZMBPMFUSA-N 1 0 340.221 2.888 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272305352 266223316 /nfs/dbraw/zinc/22/33/16/266223316.db2.gz QNPJSOCNJABARY-IINYFYTJSA-N 1 0 338.795 2.806 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000272360557 266241150 /nfs/dbraw/zinc/24/11/50/266241150.db2.gz BWFNYVKDZWXBEI-UHFFFAOYSA-N 1 0 348.447 2.953 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411093 266257713 /nfs/dbraw/zinc/25/77/13/266257713.db2.gz KUQHUFLUUMHHIA-NSHDSACASA-N 1 0 346.330 2.516 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272416679 266258359 /nfs/dbraw/zinc/25/83/59/266258359.db2.gz AQJUZUUPLVDTPB-ZQIUZPCESA-N 1 0 346.431 2.700 20 5 EFBDRO COC[C@@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272504538 266286338 /nfs/dbraw/zinc/28/63/38/266286338.db2.gz WDEXZKNDIXHCHK-JTQLQIEISA-N 1 0 348.346 2.619 20 5 EFBDRO CC[NH+](CC)CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517657 266291578 /nfs/dbraw/zinc/29/15/78/266291578.db2.gz KPLIOGYYECYGNM-KRWDZBQOSA-N 1 0 345.447 2.739 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272550945 266304461 /nfs/dbraw/zinc/30/44/61/266304461.db2.gz SSBXSMDFMHLGDP-UKRRQHHQSA-N 1 0 342.399 2.563 20 5 EFBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272570663 266310529 /nfs/dbraw/zinc/31/05/29/266310529.db2.gz VRYJFKLMCOLYFI-YPMHNXCESA-N 1 0 333.413 2.921 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165828867 274658333 /nfs/dbraw/zinc/65/83/33/274658333.db2.gz KSHJQRMIQGBUTA-BDAKNGLRSA-N 1 0 329.198 2.600 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272623081 266329684 /nfs/dbraw/zinc/32/96/84/266329684.db2.gz MDYHUJDDJLLIMF-XEZPLFJOSA-N 1 0 349.456 2.628 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272623084 266330471 /nfs/dbraw/zinc/33/04/71/266330471.db2.gz MDYHUJDDJLLIMF-ZENOOKHLSA-N 1 0 349.456 2.628 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000272643504 266337665 /nfs/dbraw/zinc/33/76/65/266337665.db2.gz OSKRXUIDKMMIRE-SMDDNHRTSA-N 1 0 329.356 2.507 20 5 EFBDRO COc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000272819437 266390195 /nfs/dbraw/zinc/39/01/95/266390195.db2.gz KWJJBJCYPVJDRB-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000272817832 266390519 /nfs/dbraw/zinc/39/05/19/266390519.db2.gz KOLCHUPPKFNHDS-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273005049 266435570 /nfs/dbraw/zinc/43/55/70/266435570.db2.gz ASQMDDIRNTVUTR-QZTJIDSGSA-N 1 0 347.415 2.779 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000273441288 266499884 /nfs/dbraw/zinc/49/98/84/266499884.db2.gz MUUFDFBHQXPIGZ-LLVKDONJSA-N 1 0 340.426 2.781 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000105599396 273004446 /nfs/dbraw/zinc/00/44/46/273004446.db2.gz HVQNPSCRXRQWIN-FNORWQNLSA-N 1 0 335.379 2.690 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275206594 266766802 /nfs/dbraw/zinc/76/68/02/266766802.db2.gz IXKIOBHPVBUSPP-ZBFHGGJFSA-N 1 0 335.404 2.779 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000275691366 266856918 /nfs/dbraw/zinc/85/69/18/266856918.db2.gz WZTPICBIQLBOBF-HOTGVXAUSA-N 1 0 330.388 2.739 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000275713234 266862242 /nfs/dbraw/zinc/86/22/42/266862242.db2.gz YMRGOFHDSVJATN-KMFMINBZSA-N 1 0 344.415 2.769 20 5 EFBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000108422409 273009785 /nfs/dbraw/zinc/00/97/85/273009785.db2.gz ZBMRDDLRJKYXDQ-UHFFFAOYSA-N 1 0 331.372 2.811 20 5 EFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000276216912 266943326 /nfs/dbraw/zinc/94/33/26/266943326.db2.gz CUEAWLNPEWTVOZ-UHFFFAOYSA-N 1 0 341.411 2.558 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000276516725 267004726 /nfs/dbraw/zinc/00/47/26/267004726.db2.gz XBTKKZDNIWJUSW-UHFFFAOYSA-N 1 0 349.431 2.698 20 5 EFBDRO C[NH+](C)C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCOCC1 ZINC000276557520 267012623 /nfs/dbraw/zinc/01/26/23/267012623.db2.gz FYGNUCLVRSZXEV-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000276588739 267018155 /nfs/dbraw/zinc/01/81/55/267018155.db2.gz WBXFWKRVHMDZEK-UHFFFAOYSA-N 1 0 334.420 2.514 20 5 EFBDRO COCC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276626939 267025425 /nfs/dbraw/zinc/02/54/25/267025425.db2.gz NPXMGJPBOCZURJ-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CS[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000276683671 267035205 /nfs/dbraw/zinc/03/52/05/267035205.db2.gz VGYIYNZFPOJHFC-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276682056 267035380 /nfs/dbraw/zinc/03/53/80/267035380.db2.gz VFZYBQKAAPDBLE-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276762675 267044097 /nfs/dbraw/zinc/04/40/97/267044097.db2.gz GHBLAPBFQALWOX-ZDUSSCGKSA-N 1 0 349.431 2.714 20 5 EFBDRO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000276824319 267056914 /nfs/dbraw/zinc/05/69/14/267056914.db2.gz AELRJNYLWOQWEK-CQSZACIVSA-N 1 0 348.399 2.769 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276895023 267071834 /nfs/dbraw/zinc/07/18/34/267071834.db2.gz RHMRDJADZGEQCY-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCOCC2 ZINC000276911577 267074856 /nfs/dbraw/zinc/07/48/56/267074856.db2.gz PEKWHGLYKLIPQB-IRXDYDNUSA-N 1 0 334.416 2.967 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276940789 267081679 /nfs/dbraw/zinc/08/16/79/267081679.db2.gz JVOQZVFDDTZHHE-TZMCWYRMSA-N 1 0 341.795 2.734 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000277038273 267104370 /nfs/dbraw/zinc/10/43/70/267104370.db2.gz LZBNDQPJRJMNLB-CQSZACIVSA-N 1 0 335.404 2.514 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000277116163 267116863 /nfs/dbraw/zinc/11/68/63/267116863.db2.gz DZEDOTQHQHBBLF-CYBMUJFWSA-N 1 0 342.399 2.699 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000277116168 267117500 /nfs/dbraw/zinc/11/75/00/267117500.db2.gz DZEDOTQHQHBBLF-ZDUSSCGKSA-N 1 0 342.399 2.699 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277139774 267120040 /nfs/dbraw/zinc/12/00/40/267120040.db2.gz HLHZIBXKQIDYLC-CYBMUJFWSA-N 1 0 339.823 2.733 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000277171397 267123896 /nfs/dbraw/zinc/12/38/96/267123896.db2.gz MRXXZLYOGTYUGW-JTQLQIEISA-N 1 0 343.225 2.673 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000277385080 267169144 /nfs/dbraw/zinc/16/91/44/267169144.db2.gz FKDFBYHGXFMELU-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000277388347 267169253 /nfs/dbraw/zinc/16/92/53/267169253.db2.gz XEFGZOICZQLSLY-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000277484074 267186120 /nfs/dbraw/zinc/18/61/20/267186120.db2.gz MOXFZYKPYKPLCE-ZDUSSCGKSA-N 1 0 336.367 2.872 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000277564317 267199070 /nfs/dbraw/zinc/19/90/70/267199070.db2.gz PTDWKHRPBXMHAJ-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2N1 ZINC000277567343 267200481 /nfs/dbraw/zinc/20/04/81/267200481.db2.gz ZKPFLBHUXRDNBK-AWEZNQCLSA-N 1 0 344.415 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277590110 267205465 /nfs/dbraw/zinc/20/54/65/267205465.db2.gz HNPLLDDAIZFGIY-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000277627403 267215893 /nfs/dbraw/zinc/21/58/93/267215893.db2.gz RQGNAVQJXZXAFL-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277856237 267281051 /nfs/dbraw/zinc/28/10/51/267281051.db2.gz TVUSMWFVWVMRDN-OCCSQVGLSA-N 1 0 332.322 2.773 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000277866210 267285533 /nfs/dbraw/zinc/28/55/33/267285533.db2.gz ULHAQVVMEDHYAY-GOSISDBHSA-N 1 0 349.431 2.859 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277947798 267305187 /nfs/dbraw/zinc/30/51/87/267305187.db2.gz OSYPMSWUBWZSEG-QGZVFWFLSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1c(CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277972980 267312048 /nfs/dbraw/zinc/31/20/48/267312048.db2.gz QEFAOKUZYCBVOT-MRXNPFEDSA-N 1 0 331.416 2.579 20 5 EFBDRO C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277989380 267315753 /nfs/dbraw/zinc/31/57/53/267315753.db2.gz WNOIVRURHAFNNQ-CYBMUJFWSA-N 1 0 346.431 2.829 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278070107 267333561 /nfs/dbraw/zinc/33/35/61/267333561.db2.gz SXMQRPNJZFETNW-JTQLQIEISA-N 1 0 332.326 2.929 20 5 EFBDRO CSc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278205681 267368226 /nfs/dbraw/zinc/36/82/26/267368226.db2.gz CXSDFKOLGZRPAG-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278555259 267479761 /nfs/dbraw/zinc/47/97/61/267479761.db2.gz BWAZCAAURLDTJF-SJCJKPOMSA-N 1 0 348.424 2.953 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278757389 267546957 /nfs/dbraw/zinc/54/69/57/267546957.db2.gz KKIXZQTUWUZWPX-WOSRLPQWSA-N 1 0 340.445 2.595 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000161881811 273022385 /nfs/dbraw/zinc/02/23/85/273022385.db2.gz ARFIIMJGZPRYBB-DGCLKSJQSA-N 1 0 347.444 2.757 20 5 EFBDRO C[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181858832 273045473 /nfs/dbraw/zinc/04/54/73/273045473.db2.gz XQHDITZMMRJCME-ZBFHGGJFSA-N 1 0 342.395 2.954 20 5 EFBDRO CC[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000184583822 273049325 /nfs/dbraw/zinc/04/93/25/273049325.db2.gz VLHHFAZKPVIEAB-UHFFFAOYSA-N 1 0 340.811 2.532 20 5 EFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237597034 273071789 /nfs/dbraw/zinc/07/17/89/273071789.db2.gz YMIJBUNWKKVDEP-FZKQIMNGSA-N 1 0 339.395 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c2nonc21 ZINC000265530728 273077500 /nfs/dbraw/zinc/07/75/00/273077500.db2.gz BDFZNHSAJOHJLF-GFCCVEGCSA-N 1 0 331.376 2.586 20 5 EFBDRO Cc1c(CC(=O)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000269715518 273089361 /nfs/dbraw/zinc/08/93/61/273089361.db2.gz OVKSDWLOLPOLSR-UHFFFAOYSA-N 1 0 333.432 2.636 20 5 EFBDRO COc1cc(CNCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1O ZINC000276741148 273142468 /nfs/dbraw/zinc/14/24/68/273142468.db2.gz XVQMRCIRCDBMKF-UHFFFAOYSA-N 1 0 337.420 2.521 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000277148416 273148471 /nfs/dbraw/zinc/14/84/71/273148471.db2.gz ILFOCULDCPBIEQ-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277119411 273147092 /nfs/dbraw/zinc/14/70/92/273147092.db2.gz NRKWEQPFNRQNDY-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000278985289 273163269 /nfs/dbraw/zinc/16/32/69/273163269.db2.gz DMAYXQAAYHVMMR-UHFFFAOYSA-N 1 0 347.415 2.516 20 5 EFBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279003422 273165397 /nfs/dbraw/zinc/16/53/97/273165397.db2.gz GCEAYIZWNOAAGW-XHDPSFHLSA-N 1 0 340.445 2.730 20 5 EFBDRO C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(C(F)(F)F)cs1 ZINC000279059052 273171797 /nfs/dbraw/zinc/17/17/97/273171797.db2.gz ZBZIPRXECSGEMM-ZETCQYMHSA-N 1 0 335.311 2.617 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279228914 273190676 /nfs/dbraw/zinc/19/06/76/273190676.db2.gz DODGXWITBBSXKX-YVEFUNNKSA-N 1 0 347.415 2.731 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279295570 273199148 /nfs/dbraw/zinc/19/91/48/273199148.db2.gz ZFUXQXXQDHOSCV-KRWDZBQOSA-N 1 0 331.416 2.661 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279389440 273210066 /nfs/dbraw/zinc/21/00/66/273210066.db2.gz UDZMUMGBPIDFCJ-SUMWQHHRSA-N 1 0 347.415 2.731 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279695296 273243219 /nfs/dbraw/zinc/24/32/19/273243219.db2.gz GLRHRTHTQGXDFH-JSGCOSHPSA-N 1 0 346.387 2.770 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279735480 273247660 /nfs/dbraw/zinc/24/76/60/273247660.db2.gz KAFAGSFEYUBRLA-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCN2CC=CCC2)c1 ZINC000279764095 273250756 /nfs/dbraw/zinc/25/07/56/273250756.db2.gz JJRRNCNNTOKCDU-UHFFFAOYSA-N 1 0 327.331 2.548 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279922897 273269748 /nfs/dbraw/zinc/26/97/48/273269748.db2.gz XMNGFEBADVEVMH-GFCCVEGCSA-N 1 0 325.796 2.596 20 5 EFBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000280128631 273294053 /nfs/dbraw/zinc/29/40/53/273294053.db2.gz CGLZWJMIMFSMLE-QGZVFWFLSA-N 1 0 329.356 2.552 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280205403 273302165 /nfs/dbraw/zinc/30/21/65/273302165.db2.gz JIWMXCWSLBHWQS-INIZCTEOSA-N 1 0 349.431 2.685 20 5 EFBDRO C[C@H]1OCC[C@]12CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000280268850 273309526 /nfs/dbraw/zinc/30/95/26/273309526.db2.gz CVMQLKYLVJJHLJ-ABAIWWIYSA-N 1 0 326.780 2.628 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000280387993 273322801 /nfs/dbraw/zinc/32/28/01/273322801.db2.gz KDVBTCPLPBGRSF-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000280414280 273325769 /nfs/dbraw/zinc/32/57/69/273325769.db2.gz ZIYMZDAQCGANFX-CQSZACIVSA-N 1 0 337.807 2.534 20 5 EFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280414278 273325791 /nfs/dbraw/zinc/32/57/91/273325791.db2.gz ZIYMZDAQCGANFX-AWEZNQCLSA-N 1 0 337.807 2.534 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280528227 273337227 /nfs/dbraw/zinc/33/72/27/273337227.db2.gz KZOHFOXTTVCNJA-HNNXBMFYSA-N 1 0 349.431 2.519 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280529579 273337522 /nfs/dbraw/zinc/33/75/22/273337522.db2.gz OVTDLTIAHFEPBX-KRWDZBQOSA-N 1 0 338.404 2.873 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280557775 273340677 /nfs/dbraw/zinc/34/06/77/273340677.db2.gz QXNFTPNPUFEJPX-KRWDZBQOSA-N 1 0 343.383 2.522 20 5 EFBDRO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000280595648 273344929 /nfs/dbraw/zinc/34/49/29/273344929.db2.gz XHPHTPFDTGSNNY-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000280606767 273346160 /nfs/dbraw/zinc/34/61/60/273346160.db2.gz VQEZZRHGEUHFMI-MRXNPFEDSA-N 1 0 343.383 2.522 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280788038 273366783 /nfs/dbraw/zinc/36/67/83/273366783.db2.gz HIRKBXHRJZGAEA-RANZSIQMSA-N 1 0 348.443 2.541 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NCC12CCC[NH+]1CCC2 ZINC000280948982 273384477 /nfs/dbraw/zinc/38/44/77/273384477.db2.gz JJOUJPDHUKAOBK-UHFFFAOYSA-N 1 0 341.209 2.793 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC34CCC[NH+]3CCC4)cc2N1 ZINC000281004007 273390588 /nfs/dbraw/zinc/39/05/88/273390588.db2.gz PWAHJBQLPVDPHA-UHFFFAOYSA-N 1 0 330.388 2.520 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281168035 273407221 /nfs/dbraw/zinc/40/72/21/273407221.db2.gz XMELMOYWMOVANW-LBPRGKRZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000193012684 273498920 /nfs/dbraw/zinc/49/89/20/273498920.db2.gz PPKPTWKIXUBFIW-CJNGLKHVSA-N 1 0 331.416 2.961 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000282049275 273507015 /nfs/dbraw/zinc/50/70/15/273507015.db2.gz VEYYSZMTJUCLDU-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282189468 273526722 /nfs/dbraw/zinc/52/67/22/273526722.db2.gz WLOPSBPZYZYPHJ-BBRMVZONSA-N 1 0 347.415 2.861 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000282859848 273630681 /nfs/dbraw/zinc/63/06/81/273630681.db2.gz SYDBHCFEAUCLHD-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000452032361 273703329 /nfs/dbraw/zinc/70/33/29/273703329.db2.gz CWLRTTVVDBFXRB-BRWVUGGUSA-N 1 0 347.415 2.637 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000055085195 273716319 /nfs/dbraw/zinc/71/63/19/273716319.db2.gz YWVLUINIKDRQDS-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000284067657 273792764 /nfs/dbraw/zinc/79/27/64/273792764.db2.gz KMHDTGXXRZHOCZ-HNNXBMFYSA-N 1 0 337.376 2.924 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000430385966 273805815 /nfs/dbraw/zinc/80/58/15/273805815.db2.gz OUDSXWFENUCPOZ-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000284897746 273904021 /nfs/dbraw/zinc/90/40/21/273904021.db2.gz CDAGXGOVMNMILS-UQCMEYCASA-N 1 0 335.404 2.554 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285270459 273971303 /nfs/dbraw/zinc/97/13/03/273971303.db2.gz QTBIUMNAYDGHIU-CZUORRHYSA-N 1 0 329.400 2.821 20 5 EFBDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358830 273985236 /nfs/dbraw/zinc/98/52/36/273985236.db2.gz VONVSMSEMMGKIW-ABAIWWIYSA-N 1 0 333.363 2.570 20 5 EFBDRO CO[C@H]1C[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000285474135 274006680 /nfs/dbraw/zinc/00/66/80/274006680.db2.gz VHDSCSSSELCHMA-GASCZTMLSA-N 1 0 331.372 2.902 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000425279574 274017150 /nfs/dbraw/zinc/01/71/50/274017150.db2.gz LTRAQJQGNVOXMJ-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362163500 274024346 /nfs/dbraw/zinc/02/43/46/274024346.db2.gz OOHHIWSEABGPMS-ZFWWWQNUSA-N 1 0 349.431 2.979 20 5 EFBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000285565556 274026627 /nfs/dbraw/zinc/02/66/27/274026627.db2.gz GHRLZGXSRBMBOG-GFCCVEGCSA-N 1 0 326.418 2.603 20 5 EFBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000285605696 274036186 /nfs/dbraw/zinc/03/61/86/274036186.db2.gz PVKICWALOJJLHM-OAHLLOKOSA-N 1 0 341.795 2.736 20 5 EFBDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285619111 274039083 /nfs/dbraw/zinc/03/90/83/274039083.db2.gz QNJAEBYKFHOSIZ-FHLIZLRMSA-N 1 0 344.415 2.625 20 5 EFBDRO COC[C@@]1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000423411869 274047188 /nfs/dbraw/zinc/04/71/88/274047188.db2.gz GMMLXVPEJDFSMF-WMZOPIPTSA-N 1 0 333.432 2.675 20 5 EFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000285671029 274049776 /nfs/dbraw/zinc/04/97/76/274049776.db2.gz UGROHSXHFNHFMI-TZMCWYRMSA-N 1 0 337.395 2.801 20 5 EFBDRO CCOC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000285706127 274057560 /nfs/dbraw/zinc/05/75/60/274057560.db2.gz CYRXHLIFMMZWDY-CQSZACIVSA-N 1 0 326.393 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285709501 274058190 /nfs/dbraw/zinc/05/81/90/274058190.db2.gz WHSPKMMUVBWDOA-AWEZNQCLSA-N 1 0 332.322 2.917 20 5 EFBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000374781267 274058873 /nfs/dbraw/zinc/05/88/73/274058873.db2.gz UVSVKSFUMWEKOT-INIZCTEOSA-N 1 0 330.388 2.816 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647574 274073373 /nfs/dbraw/zinc/07/33/73/274073373.db2.gz MTZJLIPRWMXIQG-AEFFLSMTSA-N 1 0 347.415 2.591 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285895888 274096168 /nfs/dbraw/zinc/09/61/68/274096168.db2.gz RPIQLBUXHUVVOQ-XJKSGUPXSA-N 1 0 331.416 2.856 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000285898344 274096633 /nfs/dbraw/zinc/09/66/33/274096633.db2.gz RVLWDAFTBPOSOL-YOFDASAYSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000286089230 274131251 /nfs/dbraw/zinc/13/12/51/274131251.db2.gz NCQLIYXVFOCWBJ-OXJKWZBOSA-N 1 0 337.445 2.578 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000286089236 274131254 /nfs/dbraw/zinc/13/12/54/274131254.db2.gz NCQLIYXVFOCWBJ-OZTPJHRESA-N 1 0 337.445 2.578 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286091569 274131659 /nfs/dbraw/zinc/13/16/59/274131659.db2.gz SVRTUASDAQWTOF-ZIAGYGMSSA-N 1 0 335.404 2.549 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000286170274 274146667 /nfs/dbraw/zinc/14/66/67/274146667.db2.gz KDZINLLSSYDSDZ-ZBFHGGJFSA-N 1 0 337.395 2.914 20 5 EFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286190530 274150948 /nfs/dbraw/zinc/15/09/48/274150948.db2.gz PQCVAUCXEJOZAC-GJZGRUSLSA-N 1 0 337.445 2.821 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286190534 274151000 /nfs/dbraw/zinc/15/10/00/274151000.db2.gz PQCVAUCXEJOZAC-HUUCEWRRSA-N 1 0 337.445 2.821 20 5 EFBDRO CCC(CC)[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])[NH+](C)C ZINC000286196463 274151758 /nfs/dbraw/zinc/15/17/58/274151758.db2.gz REINIXJBBIONLA-CQSZACIVSA-N 1 0 338.408 2.555 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000286268949 274165876 /nfs/dbraw/zinc/16/58/76/274165876.db2.gz BRTDKWCORYUQBW-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000286268945 274166004 /nfs/dbraw/zinc/16/60/04/274166004.db2.gz BRTDKWCORYUQBW-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000286296826 274172053 /nfs/dbraw/zinc/17/20/53/274172053.db2.gz CGOLULJCIVNRBK-AWEZNQCLSA-N 1 0 346.305 2.565 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286325216 274178649 /nfs/dbraw/zinc/17/86/49/274178649.db2.gz WTVLBXQKFYYXOL-XJKCOSOUSA-N 1 0 340.445 2.598 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000286334884 274180519 /nfs/dbraw/zinc/18/05/19/274180519.db2.gz VNHYGSNVTWFNAX-CMPLNLGQSA-N 1 0 333.417 2.520 20 5 EFBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286371520 274187513 /nfs/dbraw/zinc/18/75/13/274187513.db2.gz XROZUIPTNXLGNC-NNHIUZDASA-N 1 0 329.400 2.692 20 5 EFBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCCCC1 ZINC000286393880 274191756 /nfs/dbraw/zinc/19/17/56/274191756.db2.gz NQMMVQHAIDIZEY-LBPRGKRZSA-N 1 0 345.403 2.778 20 5 EFBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCCCC1 ZINC000286393879 274191774 /nfs/dbraw/zinc/19/17/74/274191774.db2.gz NQMMVQHAIDIZEY-GFCCVEGCSA-N 1 0 345.403 2.778 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342919580 274205830 /nfs/dbraw/zinc/20/58/30/274205830.db2.gz VAYPILJRANHEAK-JTQLQIEISA-N 1 0 335.433 2.766 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286856001 274287695 /nfs/dbraw/zinc/28/76/95/274287695.db2.gz BTPOWCAPJWNUCJ-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286987876 274316239 /nfs/dbraw/zinc/31/62/39/274316239.db2.gz OXMAYTGVKMRMCL-DZGCQCFKSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000286987884 274316331 /nfs/dbraw/zinc/31/63/31/274316331.db2.gz OXMAYTGVKMRMCL-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287000916 274319494 /nfs/dbraw/zinc/31/94/94/274319494.db2.gz HJGFTYULMNGEPV-FZMZJTMJSA-N 1 0 337.807 2.947 20 5 EFBDRO COc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287018798 274323167 /nfs/dbraw/zinc/32/31/67/274323167.db2.gz GGIRQHJUFACKBU-GXTWGEPZSA-N 1 0 348.403 2.694 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287025581 274324752 /nfs/dbraw/zinc/32/47/52/274324752.db2.gz IBCKMRDJIXAGFO-YVEFUNNKSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000287031979 274326101 /nfs/dbraw/zinc/32/61/01/274326101.db2.gz IIQMWXUBNNHWKT-RIEFBQKVSA-N 1 0 329.400 2.693 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000287094196 274340724 /nfs/dbraw/zinc/34/07/24/274340724.db2.gz YYEKEJQPEIONBQ-OAHLLOKOSA-N 1 0 345.374 2.913 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287173758 274360203 /nfs/dbraw/zinc/36/02/03/274360203.db2.gz OHWYGGBJJJOBEI-IAQYHMDHSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287173756 274360220 /nfs/dbraw/zinc/36/02/20/274360220.db2.gz OHWYGGBJJJOBEI-ABAIWWIYSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287211084 274368654 /nfs/dbraw/zinc/36/86/54/274368654.db2.gz QTAQMYYJVVIMAN-XJKSGUPXSA-N 1 0 332.404 2.994 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000287239000 274375764 /nfs/dbraw/zinc/37/57/64/274375764.db2.gz JQFFILNUNHHXNM-LLVKDONJSA-N 1 0 333.417 2.522 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000287267624 274381686 /nfs/dbraw/zinc/38/16/86/274381686.db2.gz CIHMHAOHOQISHN-MCIONIFRSA-N 1 0 335.404 2.574 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287328828 274395903 /nfs/dbraw/zinc/39/59/03/274395903.db2.gz OOTLQXJMKBZQDW-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000449177422 274498591 /nfs/dbraw/zinc/49/85/91/274498591.db2.gz VKSYRQKXJPAKRD-GDBMZVCRSA-N 1 0 343.431 2.518 20 5 EFBDRO Cc1cc(NCc2ccncc2OCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000288109877 274529006 /nfs/dbraw/zinc/52/90/06/274529006.db2.gz BPZXWRZQESUCGB-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO Cc1ccnc(NCc2ccncc2OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000288196813 274545986 /nfs/dbraw/zinc/54/59/86/274545986.db2.gz KGRFFLCMBNATHT-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000288218991 274550518 /nfs/dbraw/zinc/55/05/18/274550518.db2.gz DPNXOGWEDFTWIW-WMLDXEAASA-N 1 0 345.443 2.958 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000288389055 274582963 /nfs/dbraw/zinc/58/29/63/274582963.db2.gz MDJVOWQJZOFACH-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000135264927 274592690 /nfs/dbraw/zinc/59/26/90/274592690.db2.gz LJNXBBXOOOEVBP-UWVGGRQHSA-N 1 0 328.210 2.886 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000289136870 274712212 /nfs/dbraw/zinc/71/22/12/274712212.db2.gz FJRJEBQASRQLDA-HAQNSBGRSA-N 1 0 339.823 2.672 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000289330483 274742261 /nfs/dbraw/zinc/74/22/61/274742261.db2.gz VNWCWNNPNOYJQQ-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000289652589 274798329 /nfs/dbraw/zinc/79/83/29/274798329.db2.gz CIMHGEPXJYAUPX-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192632791 274941003 /nfs/dbraw/zinc/94/10/03/274941003.db2.gz CZUBKBVTOMFSCO-KRWDZBQOSA-N 1 0 325.368 2.861 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2N1 ZINC000263763275 275018599 /nfs/dbraw/zinc/01/85/99/275018599.db2.gz VFHYUFXVXFSKNF-DOMZBBRYSA-N 1 0 330.388 2.518 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344100702 275029236 /nfs/dbraw/zinc/02/92/36/275029236.db2.gz NMRLAFZKFAWRQE-RHSMWYFYSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@H]([NH+]3CCCC3)CC2)nc2sccn21 ZINC000150891972 275032600 /nfs/dbraw/zinc/03/26/00/275032600.db2.gz GJRDDLBLAUEQBY-LBPRGKRZSA-N 1 0 335.433 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250783768 275032962 /nfs/dbraw/zinc/03/29/62/275032962.db2.gz TXYWEDAFBKWZRE-MNOVXSKESA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161668369 275033135 /nfs/dbraw/zinc/03/31/35/275033135.db2.gz TXYWEDAFBKWZRE-WDEREUQCSA-N 1 0 341.209 2.791 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)nc1-c1ccc(F)cc1 ZINC000420200549 275034971 /nfs/dbraw/zinc/03/49/71/275034971.db2.gz XJTJHXFKLVMENO-LBPRGKRZSA-N 1 0 330.363 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000420266303 275036866 /nfs/dbraw/zinc/03/68/66/275036866.db2.gz VQLYDFLLWURLBM-ZIAGYGMSSA-N 1 0 342.374 2.842 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)CCC2 ZINC000447592343 275037818 /nfs/dbraw/zinc/03/78/18/275037818.db2.gz KXGKGKDSXDOABT-ROUUACIJSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949117 275040048 /nfs/dbraw/zinc/04/00/48/275040048.db2.gz SWBRSXSVCVNUJG-QFBILLFUSA-N 1 0 339.395 2.940 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368592791 275040311 /nfs/dbraw/zinc/04/03/11/275040311.db2.gz MKPYGIUUPANEER-IRXDYDNUSA-N 1 0 338.411 2.948 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338216066 275448416 /nfs/dbraw/zinc/44/84/16/275448416.db2.gz WZSUTKHIWZUQEZ-QAPCUYQASA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000337845141 275740930 /nfs/dbraw/zinc/74/09/30/275740930.db2.gz HLUUYQBKRZSFTE-CVEARBPZSA-N 1 0 331.416 2.961 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433228541 275868177 /nfs/dbraw/zinc/86/81/77/275868177.db2.gz BBIIYXMHAZECQQ-QAPCUYQASA-N 1 0 345.443 2.770 20 5 EFBDRO CC[NH+](CC)CCCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000181829650 276095625 /nfs/dbraw/zinc/09/56/25/276095625.db2.gz CXCIBAGZWMYXHJ-UHFFFAOYSA-N 1 0 337.468 2.975 20 5 EFBDRO CCN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349386370 276123124 /nfs/dbraw/zinc/12/31/24/276123124.db2.gz SBSOZAOAGGTTFS-UHFFFAOYSA-N 1 0 331.363 2.970 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427274275 276130095 /nfs/dbraw/zinc/13/00/95/276130095.db2.gz LOCXJXAPBGKOFB-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000452034947 276337205 /nfs/dbraw/zinc/33/72/05/276337205.db2.gz MPEBXGFFJXXIRK-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000077303540 276863739 /nfs/dbraw/zinc/86/37/39/276863739.db2.gz LHFCTXGOCBNYRD-MRXNPFEDSA-N 1 0 331.347 2.767 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418646578 276995708 /nfs/dbraw/zinc/99/57/08/276995708.db2.gz SMUUBWXQDNAOEG-HNNXBMFYSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000343981185 277018365 /nfs/dbraw/zinc/01/83/65/277018365.db2.gz JOIQGOMNKRCQJT-VFAJRCTISA-N 1 0 331.416 2.892 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@@H]21 ZINC000133530567 277084731 /nfs/dbraw/zinc/08/47/31/277084731.db2.gz BFZCUVRZHAGKEL-ZFWWWQNUSA-N 1 0 343.387 2.565 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCCC1 ZINC000339880244 277255921 /nfs/dbraw/zinc/25/59/21/277255921.db2.gz XEBFSETXVVYUJY-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248651526 277266715 /nfs/dbraw/zinc/26/67/15/277266715.db2.gz UZISQNDBTTVGGQ-YDHLFZDLSA-N 1 0 331.416 2.702 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000414190615 277312434 /nfs/dbraw/zinc/31/24/34/277312434.db2.gz RJVULBXVJPROSV-LJISPDSOSA-N 1 0 334.420 2.822 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355322059 277379974 /nfs/dbraw/zinc/37/99/74/277379974.db2.gz UYRSABHZQPEBOV-UHFFFAOYSA-N 1 0 332.404 2.736 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000074136696 277440655 /nfs/dbraw/zinc/44/06/55/277440655.db2.gz WBASWEBMMMRJIS-LBPRGKRZSA-N 1 0 327.812 2.954 20 5 EFBDRO CON1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421398685 277618627 /nfs/dbraw/zinc/61/86/27/277618627.db2.gz OLFGFNIEYFTVHO-WMLDXEAASA-N 1 0 333.432 2.921 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000433763352 278000176 /nfs/dbraw/zinc/00/01/76/278000176.db2.gz AGUPSVRTUWPZDP-ZDUSSCGKSA-N 1 0 349.435 2.532 20 5 EFBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000378641701 278020468 /nfs/dbraw/zinc/02/04/68/278020468.db2.gz DBXHPCBPHIXYPY-DYVFJYSZSA-N 1 0 330.388 2.883 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265748087 278267417 /nfs/dbraw/zinc/26/74/17/278267417.db2.gz DHTDAJWSYGTGGW-KRWDZBQOSA-N 1 0 345.443 2.959 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516682 279120055 /nfs/dbraw/zinc/12/00/55/279120055.db2.gz JCILKKNWPDZGIP-RHSMWYFYSA-N 1 0 345.447 2.738 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449569408 279256000 /nfs/dbraw/zinc/25/60/00/279256000.db2.gz GUFCNWLSBGEYIX-ZIAGYGMSSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245541997 279319159 /nfs/dbraw/zinc/31/91/59/279319159.db2.gz LBUBWODDLPVKDR-SOLBZPMBSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453440737 280158085 /nfs/dbraw/zinc/15/80/85/280158085.db2.gz WBZWSABQKMPHPY-JCKWVBRZSA-N 1 0 331.416 2.564 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245984358 280224697 /nfs/dbraw/zinc/22/46/97/280224697.db2.gz ZIEKJFDSHZWZNK-ZIAGYGMSSA-N 1 0 333.432 2.682 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192571375 280254293 /nfs/dbraw/zinc/25/42/93/280254293.db2.gz NGXBZPCWKJFOCW-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000094094373 280397928 /nfs/dbraw/zinc/39/79/28/280397928.db2.gz BTSHCBCHWPDQCP-OAHLLOKOSA-N 1 0 331.416 2.830 20 5 EFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351509286 288258231 /nfs/dbraw/zinc/25/82/31/288258231.db2.gz LDZMHXRQDQGRLI-ZJUUUORDSA-N 1 0 328.210 2.886 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000090088221 280977124 /nfs/dbraw/zinc/97/71/24/280977124.db2.gz GLWJOKGBPIAUAZ-JTQLQIEISA-N 1 0 333.310 2.575 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354711469 281012182 /nfs/dbraw/zinc/01/21/82/281012182.db2.gz HOWQFSGBERVJCK-OAHLLOKOSA-N 1 0 332.448 2.508 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000182809960 281020209 /nfs/dbraw/zinc/02/02/09/281020209.db2.gz GWEQRNSGQZEIMN-HZPDHXFCSA-N 1 0 333.432 2.618 20 5 EFBDRO Cc1ccc2nc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cn2c1 ZINC000348904766 281153444 /nfs/dbraw/zinc/15/34/44/281153444.db2.gz NSJBDRHYVKCKMY-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO Cc1ccnc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000265245247 281452881 /nfs/dbraw/zinc/45/28/81/281452881.db2.gz PRUUEAQSMSHYPX-GJZGRUSLSA-N 1 0 348.447 2.624 20 5 EFBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067269849 292694170 /nfs/dbraw/zinc/69/41/70/292694170.db2.gz KUCOPIUMERCTLS-OAHLLOKOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000342422562 289298190 /nfs/dbraw/zinc/29/81/90/289298190.db2.gz QKOCRUZQUDRIHE-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000338048255 289378025 /nfs/dbraw/zinc/37/80/25/289378025.db2.gz TVVNISFQHAJHMF-HOTGVXAUSA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000079694281 292793001 /nfs/dbraw/zinc/79/30/01/292793001.db2.gz ODGYURLEZPEXDX-NHYWBVRUSA-N 1 0 337.445 2.532 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116129037 292886687 /nfs/dbraw/zinc/88/66/87/292886687.db2.gz YOWOKOHHNZEIHS-HNNXBMFYSA-N 1 0 337.420 2.700 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000119737969 292913795 /nfs/dbraw/zinc/91/37/95/292913795.db2.gz WOLXVGFVSPKWLS-CQSZACIVSA-N 1 0 335.404 2.859 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000121011936 292936284 /nfs/dbraw/zinc/93/62/84/292936284.db2.gz PCRJKDLBLVPUHE-DLBZAZTESA-N 1 0 334.416 2.701 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000127015074 293056374 /nfs/dbraw/zinc/05/63/74/293056374.db2.gz XYYYKIGDFOUPMF-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000128101041 293091506 /nfs/dbraw/zinc/09/15/06/293091506.db2.gz MACMYXUVNPDUGR-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129566949 293138050 /nfs/dbraw/zinc/13/80/50/293138050.db2.gz NCOHBGLBSQOIPJ-KPKJPENVSA-N 1 0 331.416 2.845 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000130764852 293177090 /nfs/dbraw/zinc/17/70/90/293177090.db2.gz RJBMYHXQWSUGMV-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCCC1 ZINC000130971904 293183494 /nfs/dbraw/zinc/18/34/94/293183494.db2.gz LVOFZHKQYDTMDS-UHFFFAOYSA-N 1 0 331.416 2.962 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000133288203 293252986 /nfs/dbraw/zinc/25/29/86/293252986.db2.gz IBOJHNQKKBKZSZ-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000154575208 293431294 /nfs/dbraw/zinc/43/12/94/293431294.db2.gz FAQRQWQZUCDRFW-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO CC(C)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000159072049 293594704 /nfs/dbraw/zinc/59/47/04/293594704.db2.gz XQDGTHURQDFCHH-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449455921 293842921 /nfs/dbraw/zinc/84/29/21/293842921.db2.gz CZMAHWSFTIBBGM-KLICCBINSA-N 1 0 348.443 2.947 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000255397894 293855542 /nfs/dbraw/zinc/85/55/42/293855542.db2.gz RYZLHTGITWNGEX-YVMONPNESA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255574291 293869976 /nfs/dbraw/zinc/86/99/76/293869976.db2.gz AXSGJIUTZJIQFU-SBSDFTTDSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290353519 294064721 /nfs/dbraw/zinc/06/47/21/294064721.db2.gz IYFDCOSLZOJONK-GFCCVEGCSA-N 1 0 337.807 2.710 20 5 EFBDRO CSC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000290386080 294072774 /nfs/dbraw/zinc/07/27/74/294072774.db2.gz IYAUZARSKTUGRG-UHFFFAOYSA-N 1 0 349.456 2.638 20 5 EFBDRO NC(=O)c1ccnc(NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290522212 294109905 /nfs/dbraw/zinc/10/99/05/294109905.db2.gz GLDSMHODAADPBL-UHFFFAOYSA-N 1 0 349.435 2.547 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000290735530 294170387 /nfs/dbraw/zinc/17/03/87/294170387.db2.gz BIZWESPBGVBFDO-GFCCVEGCSA-N 1 0 343.449 2.531 20 5 EFBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845432 294201390 /nfs/dbraw/zinc/20/13/90/294201390.db2.gz JHCRJDMBLPCJOB-XJZHNMMOSA-N 1 0 325.217 2.758 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290866091 294206684 /nfs/dbraw/zinc/20/66/84/294206684.db2.gz ZFTPBTLLORULEC-SNVBAGLBSA-N 1 0 335.187 2.736 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[N@@H+]1C1CC1 ZINC000290871177 294208004 /nfs/dbraw/zinc/20/80/04/294208004.db2.gz ZQTRZHYGDSYEQJ-NWDGAFQWSA-N 1 0 346.387 2.589 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291129111 294284425 /nfs/dbraw/zinc/28/44/25/294284425.db2.gz WCODRFWCPVPRIH-ZDUSSCGKSA-N 1 0 332.404 2.852 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000291144278 294289355 /nfs/dbraw/zinc/28/93/55/294289355.db2.gz OGSSLFYYEFZJGI-SNVBAGLBSA-N 1 0 349.478 2.592 20 5 EFBDRO CC(C)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000291548531 294410680 /nfs/dbraw/zinc/41/06/80/294410680.db2.gz AUFANTKJLKYDIP-UHFFFAOYSA-N 1 0 346.431 2.756 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000293012470 294852887 /nfs/dbraw/zinc/85/28/87/294852887.db2.gz JZBAWDKPVPKMHR-HNNXBMFYSA-N 1 0 346.387 2.532 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000293121278 294883992 /nfs/dbraw/zinc/88/39/92/294883992.db2.gz RMUPLTSWJTWGFY-HNNXBMFYSA-N 1 0 346.387 2.532 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000293616167 295012347 /nfs/dbraw/zinc/01/23/47/295012347.db2.gz KKMGVCLOAKBZME-KRWDZBQOSA-N 1 0 345.399 2.848 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000293693440 295029036 /nfs/dbraw/zinc/02/90/36/295029036.db2.gz LJMIYVHFWDGCHP-PBHICJAKSA-N 1 0 343.431 2.657 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000293693449 295029079 /nfs/dbraw/zinc/02/90/79/295029079.db2.gz LJMIYVHFWDGCHP-WMLDXEAASA-N 1 0 343.431 2.657 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000293693453 295029194 /nfs/dbraw/zinc/02/91/94/295029194.db2.gz LJMIYVHFWDGCHP-YOEHRIQHSA-N 1 0 343.431 2.657 20 5 EFBDRO COC1(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000293742460 295039579 /nfs/dbraw/zinc/03/95/79/295039579.db2.gz PIKRCCLOKJRVPB-ZDUSSCGKSA-N 1 0 335.404 2.861 20 5 EFBDRO COCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000293772265 295046207 /nfs/dbraw/zinc/04/62/07/295046207.db2.gz SQPSAIIUHLDSJE-HNNXBMFYSA-N 1 0 336.432 2.949 20 5 EFBDRO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000293783010 295049021 /nfs/dbraw/zinc/04/90/21/295049021.db2.gz OHNJTLHRAWFAOA-SNVBAGLBSA-N 1 0 345.852 2.654 20 5 EFBDRO COc1cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911270 295077243 /nfs/dbraw/zinc/07/72/43/295077243.db2.gz FYYCBSJXUDKTMB-MSOLQXFVSA-N 1 0 348.399 2.755 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)N1C ZINC000293912712 295077431 /nfs/dbraw/zinc/07/74/31/295077431.db2.gz GEDGISIFUAKCOS-AOOOYVTPSA-N 1 0 345.321 2.778 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000294025923 295099882 /nfs/dbraw/zinc/09/98/82/295099882.db2.gz WENXCYHBFCJBFG-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO CC(C)c1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294044466 295102790 /nfs/dbraw/zinc/10/27/90/295102790.db2.gz KZWCQRRBSNUDRQ-UHFFFAOYSA-N 1 0 345.403 2.729 20 5 EFBDRO COc1ccncc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294090303 295109016 /nfs/dbraw/zinc/10/90/16/295109016.db2.gz IVHCVDZWBHWLAY-GFCCVEGCSA-N 1 0 344.371 2.505 20 5 EFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000294259426 295136681 /nfs/dbraw/zinc/13/66/81/295136681.db2.gz GJHNUWBAMFIKRB-UHFFFAOYSA-N 1 0 347.415 2.550 20 5 EFBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294329728 295148611 /nfs/dbraw/zinc/14/86/11/295148611.db2.gz DUCYGBMMTFUIDE-MRXNPFEDSA-N 1 0 333.432 2.603 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294577512 295188524 /nfs/dbraw/zinc/18/85/24/295188524.db2.gz XTLQFXAAFKLFCL-UHFFFAOYSA-N 1 0 335.448 2.980 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294582368 295189222 /nfs/dbraw/zinc/18/92/22/295189222.db2.gz TWUSIHPLRAUDCW-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO C[NH+](C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000294620242 295195449 /nfs/dbraw/zinc/19/54/49/295195449.db2.gz WIOQSBNHPZQKIL-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000294688207 295208337 /nfs/dbraw/zinc/20/83/37/295208337.db2.gz FUNYYZDUZZINHX-UHFFFAOYSA-N 1 0 327.812 2.874 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294694155 295209518 /nfs/dbraw/zinc/20/95/18/295209518.db2.gz YPLUENDHUZYQAW-UHFFFAOYSA-N 1 0 339.411 2.551 20 5 EFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294711448 295212826 /nfs/dbraw/zinc/21/28/26/295212826.db2.gz DRCZJULTRHGHMI-GXTWGEPZSA-N 1 0 343.358 2.515 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1O ZINC000294759467 295222358 /nfs/dbraw/zinc/22/23/58/295222358.db2.gz IZAZUTMQCXHDQG-HNNXBMFYSA-N 1 0 346.383 2.656 20 5 EFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000294764280 295223144 /nfs/dbraw/zinc/22/31/44/295223144.db2.gz JJFPQOALHFPEPB-BZNIZROVSA-N 1 0 326.393 2.763 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294766351 295223483 /nfs/dbraw/zinc/22/34/83/295223483.db2.gz MUMPJRVEEVHRPZ-SECBINFHSA-N 1 0 333.310 2.684 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159728315 295223773 /nfs/dbraw/zinc/22/37/73/295223773.db2.gz ZDRFRSDFNZOFPF-KRWDZBQOSA-N 1 0 343.383 2.602 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000294827068 295233558 /nfs/dbraw/zinc/23/35/58/295233558.db2.gz AHHYOADWMVNVLC-PXAZEXFGSA-N 1 0 342.399 2.682 20 5 EFBDRO NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2F)C2CC2)c1 ZINC000294845185 295236082 /nfs/dbraw/zinc/23/60/82/295236082.db2.gz RMOBOSSDRYDXIH-UHFFFAOYSA-N 1 0 343.358 2.997 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294897014 295242534 /nfs/dbraw/zinc/24/25/34/295242534.db2.gz GSJSGIPULAHQJV-UHFFFAOYSA-N 1 0 337.420 2.538 20 5 EFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905348 295243662 /nfs/dbraw/zinc/24/36/62/295243662.db2.gz WCTOHNNGVXUHQZ-LLVKDONJSA-N 1 0 330.344 2.979 20 5 EFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295019718 295258466 /nfs/dbraw/zinc/25/84/66/295258466.db2.gz KMCDXCHHYLRDBL-GFCCVEGCSA-N 1 0 332.404 2.634 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000295055956 295262543 /nfs/dbraw/zinc/26/25/43/295262543.db2.gz GXEVNNVSRFVAHK-WDEREUQCSA-N 1 0 337.807 2.912 20 5 EFBDRO Cc1nccnc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295106116 295268929 /nfs/dbraw/zinc/26/89/29/295268929.db2.gz WRDRXXUQSWLEBZ-QGZVFWFLSA-N 1 0 326.400 2.847 20 5 EFBDRO CN(C)C(=O)O[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295116692 295270006 /nfs/dbraw/zinc/27/00/06/295270006.db2.gz MMAIUYUMZPZGRK-GFCCVEGCSA-N 1 0 327.768 2.521 20 5 EFBDRO CN(C)C(=O)O[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295116693 295270011 /nfs/dbraw/zinc/27/00/11/295270011.db2.gz MMAIUYUMZPZGRK-LBPRGKRZSA-N 1 0 327.768 2.521 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CF)CC1 ZINC000295122991 295270712 /nfs/dbraw/zinc/27/07/12/295270712.db2.gz JZKYYBNVKAEJJZ-UHFFFAOYSA-N 1 0 339.367 2.614 20 5 EFBDRO CN(C)C(=O)O[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000295128791 295271907 /nfs/dbraw/zinc/27/19/07/295271907.db2.gz OFRROLKBHRBRHA-GFCCVEGCSA-N 1 0 327.768 2.521 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420260938 295277255 /nfs/dbraw/zinc/27/72/55/295277255.db2.gz OPCWOGNVVJEWFS-NWDGAFQWSA-N 1 0 330.388 2.715 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000295167536 295277342 /nfs/dbraw/zinc/27/73/42/295277342.db2.gz HXIMQFSMPUIKSD-YESZJQIVSA-N 1 0 334.416 2.956 20 5 EFBDRO CCC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000295173290 295278101 /nfs/dbraw/zinc/27/81/01/295278101.db2.gz UQQYKMHXEGUURL-INIZCTEOSA-N 1 0 332.404 2.900 20 5 EFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295204289 295281797 /nfs/dbraw/zinc/28/17/97/295281797.db2.gz KQXOASYMPBMXBO-YDHLFZDLSA-N 1 0 348.447 2.544 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccn1 ZINC000295212082 295282833 /nfs/dbraw/zinc/28/28/33/295282833.db2.gz URHUIHANYFGXEO-UHFFFAOYSA-N 1 0 332.335 2.590 20 5 EFBDRO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000295216208 295283413 /nfs/dbraw/zinc/28/34/13/295283413.db2.gz AOOHDSRGTBFYSP-SECBINFHSA-N 1 0 333.310 2.541 20 5 EFBDRO COc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195445153 295288272 /nfs/dbraw/zinc/28/82/72/295288272.db2.gz YUOIIJNAVIYWEG-ACJLOTCBSA-N 1 0 349.431 2.844 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295260757 295289032 /nfs/dbraw/zinc/28/90/32/295289032.db2.gz ADZLPYHHRUIYOV-CQSZACIVSA-N 1 0 349.431 2.794 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295325830 295300899 /nfs/dbraw/zinc/30/08/99/295300899.db2.gz OZVSKROHYDAVKS-LLVKDONJSA-N 1 0 325.796 2.662 20 5 EFBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295714640 295364702 /nfs/dbraw/zinc/36/47/02/295364702.db2.gz SJVAWVCMFTZLRR-HIFRSBDPSA-N 1 0 327.388 2.768 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000295772492 295373873 /nfs/dbraw/zinc/37/38/73/295373873.db2.gz YQKUYSLSTDPHML-AWEZNQCLSA-N 1 0 349.431 2.587 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000295948270 295401416 /nfs/dbraw/zinc/40/14/16/295401416.db2.gz ILDIIYMIYLBUDI-VQHPVUNQSA-N 1 0 332.400 2.566 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296007510 295410844 /nfs/dbraw/zinc/41/08/44/295410844.db2.gz LBPCANGTDHAKKW-AWEZNQCLSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296007567 295410892 /nfs/dbraw/zinc/41/08/92/295410892.db2.gz LBSPKKNEIBPBOL-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000296052102 295417496 /nfs/dbraw/zinc/41/74/96/295417496.db2.gz FTSVUXPECKHHED-CVEARBPZSA-N 1 0 347.415 2.779 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000296135094 295429876 /nfs/dbraw/zinc/42/98/76/295429876.db2.gz RQEYDSYOVGAVKU-ZDUSSCGKSA-N 1 0 345.403 2.561 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000296146238 295431435 /nfs/dbraw/zinc/43/14/35/295431435.db2.gz XOWHAAAFCQAQQN-NUEKZKHPSA-N 1 0 347.371 2.940 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336212 295460407 /nfs/dbraw/zinc/46/04/07/295460407.db2.gz RAVXUDSIBWDZNR-SUMWQHHRSA-N 1 0 346.387 2.938 20 5 EFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000266334932 298416525 /nfs/dbraw/zinc/41/65/25/298416525.db2.gz HHYRDNNHTPULFG-CYBMUJFWSA-N 1 0 334.420 2.583 20 5 EFBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000349938155 298426689 /nfs/dbraw/zinc/42/66/89/298426689.db2.gz PBFWBFKREDNTKS-CYBMUJFWSA-N 1 0 342.399 2.674 20 5 EFBDRO C[C@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000221768010 298674956 /nfs/dbraw/zinc/67/49/56/298674956.db2.gz IHPMEYRUPMSTJS-SCXUMTSISA-N 1 0 335.379 2.595 20 5 EFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159769361 302026310 /nfs/dbraw/zinc/02/63/10/302026310.db2.gz LCSILJADMRUBAX-KRWDZBQOSA-N 1 0 327.384 2.902 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000345528876 302039211 /nfs/dbraw/zinc/03/92/11/302039211.db2.gz KNLDVPPCOSIRNZ-INIZCTEOSA-N 1 0 341.411 2.806 20 5 EFBDRO [NH3+]CCN(Cc1cccc2c1OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000348894282 303381198 /nfs/dbraw/zinc/38/11/98/303381198.db2.gz OLOKSIKEERFGPD-UHFFFAOYSA-N 1 0 343.383 2.721 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134605508 310644136 /nfs/dbraw/zinc/64/41/36/310644136.db2.gz SYCLAHOEILMFFI-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO COc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000160278440 310697096 /nfs/dbraw/zinc/69/70/96/310697096.db2.gz PDVFIIFHCZLPBP-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000173370986 310764274 /nfs/dbraw/zinc/76/42/74/310764274.db2.gz AWJJYQZDMOJIMD-MSOLQXFVSA-N 1 0 344.415 2.673 20 5 EFBDRO CC(C)CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000179906304 310792832 /nfs/dbraw/zinc/79/28/32/310792832.db2.gz BWQVYYJJIAWDKA-CABCVRRESA-N 1 0 326.441 2.593 20 5 EFBDRO CCC1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000296459673 310822308 /nfs/dbraw/zinc/82/23/08/310822308.db2.gz XASAMTPAYWIGEF-UHFFFAOYSA-N 1 0 326.418 2.681 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303981 310878638 /nfs/dbraw/zinc/87/86/38/310878638.db2.gz HYCFSXQXKUKOAX-ZIAGYGMSSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297818916 310932454 /nfs/dbraw/zinc/93/24/54/310932454.db2.gz ZEAQBUZXOYLXQY-AWEZNQCLSA-N 1 0 334.420 2.783 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000298869908 311030481 /nfs/dbraw/zinc/03/04/81/311030481.db2.gz WVABREQNQMPLHR-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298993577 311040165 /nfs/dbraw/zinc/04/01/65/311040165.db2.gz IRJSPTMVMSJDBD-GFCCVEGCSA-N 1 0 325.434 2.898 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000299044981 311044852 /nfs/dbraw/zinc/04/48/52/311044852.db2.gz OJJXHCCIUCMZHJ-CHWSQXEVSA-N 1 0 335.429 2.673 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299137195 311054871 /nfs/dbraw/zinc/05/48/71/311054871.db2.gz SNQHWSXLHQSFOM-ZNMIVQPWSA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000299189282 311060509 /nfs/dbraw/zinc/06/05/09/311060509.db2.gz FJUMTTWTHWXPTR-HLLBOEOZSA-N 1 0 333.432 2.668 20 5 EFBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209767 311061731 /nfs/dbraw/zinc/06/17/31/311061731.db2.gz BLGRPKWCWZGJMC-GXTWGEPZSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000299247490 311065206 /nfs/dbraw/zinc/06/52/06/311065206.db2.gz YFKFZUILILXYQA-UHFFFAOYSA-N 1 0 349.431 2.661 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000299258321 311066258 /nfs/dbraw/zinc/06/62/58/311066258.db2.gz GKKAZPXVMQDRIG-RVKKMQEKSA-N 1 0 333.432 2.668 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000299290338 311069545 /nfs/dbraw/zinc/06/95/45/311069545.db2.gz DPSHHRPHFHVWEJ-UHFFFAOYSA-N 1 0 345.443 2.908 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000299293927 311069872 /nfs/dbraw/zinc/06/98/72/311069872.db2.gz QRTCPZYGDUGHDH-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000299343887 311074566 /nfs/dbraw/zinc/07/45/66/311074566.db2.gz LCPOBKKMAAKCOT-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000299343895 311074640 /nfs/dbraw/zinc/07/46/40/311074640.db2.gz LCPOBKKMAAKCOT-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000299357748 311076173 /nfs/dbraw/zinc/07/61/73/311076173.db2.gz OZQQSGGOHYDVPD-UHFFFAOYSA-N 1 0 337.395 2.976 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299358099 311076320 /nfs/dbraw/zinc/07/63/20/311076320.db2.gz JHPDCOPHQAFCNX-VIFPVBQESA-N 1 0 346.334 2.658 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299451928 311086289 /nfs/dbraw/zinc/08/62/89/311086289.db2.gz LAXALROEGLIPLO-LLVKDONJSA-N 1 0 348.428 2.788 20 5 EFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000299674266 311109636 /nfs/dbraw/zinc/10/96/36/311109636.db2.gz HWSCXNNBMZKONE-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[NH+]1CCN(CCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301098282 311118631 /nfs/dbraw/zinc/11/86/31/311118631.db2.gz SBKVENOYFTYMPQ-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301113216 311119639 /nfs/dbraw/zinc/11/96/39/311119639.db2.gz PRSVJJAJDJLOQG-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000301191660 311123965 /nfs/dbraw/zinc/12/39/65/311123965.db2.gz LZQZIQRRQNCTHP-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301297655 311129757 /nfs/dbraw/zinc/12/97/57/311129757.db2.gz SNBDMDNNQNEQAB-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301349901 311133028 /nfs/dbraw/zinc/13/30/28/311133028.db2.gz JKHLKGTXEILFKB-OAHLLOKOSA-N 1 0 343.431 2.967 20 5 EFBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301435852 311137162 /nfs/dbraw/zinc/13/71/62/311137162.db2.gz JRSJBHSGBTVVIW-GFCCVEGCSA-N 1 0 326.828 2.604 20 5 EFBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301477161 311139484 /nfs/dbraw/zinc/13/94/84/311139484.db2.gz PADVLAKAQFUZKP-GFCCVEGCSA-N 1 0 347.337 2.507 20 5 EFBDRO C[C@@H]1C[N@@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301775610 311157743 /nfs/dbraw/zinc/15/77/43/311157743.db2.gz HHCTYXLRXJPROW-PHIMTYICSA-N 1 0 329.347 2.784 20 5 EFBDRO Cc1ccc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301815903 311160132 /nfs/dbraw/zinc/16/01/32/311160132.db2.gz IXFSUWHHYYRNLV-IRXDYDNUSA-N 1 0 346.475 2.898 20 5 EFBDRO COc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301884175 311164635 /nfs/dbraw/zinc/16/46/35/311164635.db2.gz YOPHWZDKZAMDHG-VXGBXAGGSA-N 1 0 341.383 2.654 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301892063 311165062 /nfs/dbraw/zinc/16/50/62/311165062.db2.gz VMKFXABGYINILE-IAGOWNOFSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301892064 311165290 /nfs/dbraw/zinc/16/52/90/311165290.db2.gz VMKFXABGYINILE-IRXDYDNUSA-N 1 0 341.411 2.951 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301911183 311166379 /nfs/dbraw/zinc/16/63/79/311166379.db2.gz BLCUHWHDOLZTKV-CYBMUJFWSA-N 1 0 332.408 2.560 20 5 EFBDRO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCC(C)CC1 ZINC000301921348 311166842 /nfs/dbraw/zinc/16/68/42/311166842.db2.gz KYZGCTAZKQNWEL-AWEZNQCLSA-N 1 0 346.435 2.806 20 5 EFBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1OC(F)F)N1CCOCC1 ZINC000302033340 311173808 /nfs/dbraw/zinc/17/38/08/311173808.db2.gz DBZIDVVHLDOUTQ-UHFFFAOYSA-N 1 0 345.346 2.719 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000302055246 311175151 /nfs/dbraw/zinc/17/51/51/311175151.db2.gz PXVZJRGFLZXTDH-CABCVRRESA-N 1 0 349.479 2.982 20 5 EFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ncccc2[N+](=O)[O-])C1 ZINC000302186390 311183147 /nfs/dbraw/zinc/18/31/47/311183147.db2.gz UILAPYWPDUUGSB-UHFFFAOYSA-N 1 0 342.399 2.862 20 5 EFBDRO Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302228496 311186266 /nfs/dbraw/zinc/18/62/66/311186266.db2.gz ASZYDDTUFRKNOC-CYBMUJFWSA-N 1 0 340.855 2.995 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000302545100 311192873 /nfs/dbraw/zinc/19/28/73/311192873.db2.gz UPAODMUCJGBFBS-XHSDSOJGSA-N 1 0 333.432 2.981 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+](C)CCCO)CC1 ZINC000302773479 311200393 /nfs/dbraw/zinc/20/03/93/311200393.db2.gz NUMNARZGBYKEIP-UHFFFAOYSA-N 1 0 341.839 2.840 20 5 EFBDRO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)O1 ZINC000302843186 311204097 /nfs/dbraw/zinc/20/40/97/311204097.db2.gz FCKXWMYRYSKAPG-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000302872425 311205474 /nfs/dbraw/zinc/20/54/74/311205474.db2.gz ZSKLXOZDPWDPEF-PHIMTYICSA-N 1 0 340.221 2.664 20 5 EFBDRO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313333809 311231751 /nfs/dbraw/zinc/23/17/51/311231751.db2.gz AMCSIGOGUYTZHC-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000313337937 311231901 /nfs/dbraw/zinc/23/19/01/311231901.db2.gz CZGLGIQWRDDIKB-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313369059 311232323 /nfs/dbraw/zinc/23/23/23/311232323.db2.gz RFKNZDNJQIWTKW-QGZVFWFLSA-N 1 0 327.384 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000320218278 311237540 /nfs/dbraw/zinc/23/75/40/311237540.db2.gz YVGMPLOLJRITSN-HNNXBMFYSA-N 1 0 336.775 2.778 20 5 EFBDRO CCc1cccc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326676602 311244285 /nfs/dbraw/zinc/24/42/85/311244285.db2.gz MLDKJZSHOUQQMS-GOSISDBHSA-N 1 0 344.411 2.729 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000326603616 311244495 /nfs/dbraw/zinc/24/44/95/311244495.db2.gz GYGJJCOZWYMRMP-AATRIKPKSA-N 1 0 329.400 2.600 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330559381 311321929 /nfs/dbraw/zinc/32/19/29/311321929.db2.gz IGCDXVODJZSDHL-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000330578816 311322706 /nfs/dbraw/zinc/32/27/06/311322706.db2.gz PIRULCIGHMDPFV-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330583432 311322908 /nfs/dbraw/zinc/32/29/08/311322908.db2.gz KHZMPXBRITZWFZ-CHWSQXEVSA-N 1 0 330.388 2.774 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330608136 311324491 /nfs/dbraw/zinc/32/44/91/311324491.db2.gz QBWARKFYARMAGP-UHFFFAOYSA-N 1 0 333.432 2.934 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330823158 311336848 /nfs/dbraw/zinc/33/68/48/311336848.db2.gz NYPVDEVEKQIROJ-UHFFFAOYSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000330855653 311338708 /nfs/dbraw/zinc/33/87/08/311338708.db2.gz SCGFAXJCGVKGRC-GASCZTMLSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000330855655 311338778 /nfs/dbraw/zinc/33/87/78/311338778.db2.gz SCGFAXJCGVKGRC-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO COc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000330921301 311343838 /nfs/dbraw/zinc/34/38/38/311343838.db2.gz QMJSRRGKNFWHIN-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331117185 311355399 /nfs/dbraw/zinc/35/53/99/311355399.db2.gz DZJNYIVQBKELFV-AWEZNQCLSA-N 1 0 325.796 2.660 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000331157006 311357783 /nfs/dbraw/zinc/35/77/83/311357783.db2.gz PZEMPWLUHCTVEQ-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331277129 311364638 /nfs/dbraw/zinc/36/46/38/311364638.db2.gz FWYUMPLVEJJIGU-DXCKQFNASA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000331292617 311365543 /nfs/dbraw/zinc/36/55/43/311365543.db2.gz LKUXNWKQVZLSKW-CYBMUJFWSA-N 1 0 335.404 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331295273 311365898 /nfs/dbraw/zinc/36/58/98/311365898.db2.gz SJUQDZUTUQAUTM-JDFRZJQESA-N 1 0 349.431 2.713 20 5 EFBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331430250 311376806 /nfs/dbraw/zinc/37/68/06/311376806.db2.gz JNQMMCKERLPARN-KBPBESRZSA-N 1 0 335.433 2.872 20 5 EFBDRO CC1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709848 311410258 /nfs/dbraw/zinc/41/02/58/311410258.db2.gz CLUDQFSJPILFEZ-HZPDHXFCSA-N 1 0 335.452 2.597 20 5 EFBDRO CC1=CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331721117 311412360 /nfs/dbraw/zinc/41/23/60/311412360.db2.gz JJZOSZXSWBJBLG-HZPDHXFCSA-N 1 0 333.436 2.517 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000332081278 311452087 /nfs/dbraw/zinc/45/20/87/311452087.db2.gz LPTHBNFYLYQKHD-GOEBONIOSA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000332655254 311531874 /nfs/dbraw/zinc/53/18/74/311531874.db2.gz JEUMJOGNKRKHPZ-UKRRQHHQSA-N 1 0 349.406 2.924 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000349432294 311773965 /nfs/dbraw/zinc/77/39/65/311773965.db2.gz YTEVVNISDUVJAL-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO COc1cc(Cc2noc(C34CCC[NH+]3CCC4)n2)ccc1[N+](=O)[O-] ZINC000351304111 311878156 /nfs/dbraw/zinc/87/81/56/311878156.db2.gz UYCZEAQRZWJRIU-UHFFFAOYSA-N 1 0 344.371 2.662 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC000360077186 311918603 /nfs/dbraw/zinc/91/86/03/311918603.db2.gz BJDVSCXZZNALNW-HOCLYGCPSA-N 1 0 343.431 2.518 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414293283 312049189 /nfs/dbraw/zinc/04/91/89/312049189.db2.gz MKHUFSUCNROUBY-NUTKFTJISA-N 1 0 337.420 2.697 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414824806 312054629 /nfs/dbraw/zinc/05/46/29/312054629.db2.gz GAQYFLKHIGJCDV-ZDUSSCGKSA-N 1 0 345.399 2.953 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414829245 312054881 /nfs/dbraw/zinc/05/48/81/312054881.db2.gz NNSGCXSQQUEPDV-GFCCVEGCSA-N 1 0 332.429 2.808 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414926846 312064281 /nfs/dbraw/zinc/06/42/81/312064281.db2.gz LELBSWVWDISMMK-CZUORRHYSA-N 1 0 348.447 2.680 20 5 EFBDRO COc1cc(CN[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414929952 312065058 /nfs/dbraw/zinc/06/50/58/312065058.db2.gz ONPCDLYGGZWFSK-CYBMUJFWSA-N 1 0 345.399 2.619 20 5 EFBDRO [NH3+]CC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000414992874 312073067 /nfs/dbraw/zinc/07/30/67/312073067.db2.gz RTBVDZFYJBWJGN-GFCCVEGCSA-N 1 0 342.371 2.790 20 5 EFBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)F ZINC000414998687 312074407 /nfs/dbraw/zinc/07/44/07/312074407.db2.gz UPSBYQRKANIRMH-GFCCVEGCSA-N 1 0 325.315 2.927 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000415107269 312094995 /nfs/dbraw/zinc/09/49/95/312094995.db2.gz KYFXYAKXQKRYQO-HNNXBMFYSA-N 1 0 347.440 2.873 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000415109603 312095917 /nfs/dbraw/zinc/09/59/17/312095917.db2.gz NPTNAYITQZSZNN-CYBMUJFWSA-N 1 0 347.440 2.873 20 5 EFBDRO C[NH2+]CCCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000415134267 312100431 /nfs/dbraw/zinc/10/04/31/312100431.db2.gz OIFHVERSQOFNCW-UHFFFAOYSA-N 1 0 333.388 2.905 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415298620 312126809 /nfs/dbraw/zinc/12/68/09/312126809.db2.gz PGSOZHKKNIRRGX-MELADBBJSA-N 1 0 332.404 2.721 20 5 EFBDRO C[C@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000415447834 312140528 /nfs/dbraw/zinc/14/05/28/312140528.db2.gz UPANQTBDZWDVCW-CYBMUJFWSA-N 1 0 346.309 2.863 20 5 EFBDRO COc1ccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000415451446 312140822 /nfs/dbraw/zinc/14/08/22/312140822.db2.gz XGCIFDZVEJPEKI-CQSZACIVSA-N 1 0 336.392 2.503 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415485728 312144412 /nfs/dbraw/zinc/14/44/12/312144412.db2.gz QKXGRZVSYZWROY-DZGCQCFKSA-N 1 0 332.404 2.721 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415886719 312179764 /nfs/dbraw/zinc/17/97/64/312179764.db2.gz VYEQVDSVZSWJLR-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO C[NH2+]Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000415968032 312187302 /nfs/dbraw/zinc/18/73/02/312187302.db2.gz BYKQIYSKZIZXHV-UHFFFAOYSA-N 1 0 340.383 2.904 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCOCC1)CCCC2 ZINC000417312562 312207127 /nfs/dbraw/zinc/20/71/27/312207127.db2.gz SNLRVENZFBDDRX-KRWDZBQOSA-N 1 0 334.416 2.741 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417316548 312207910 /nfs/dbraw/zinc/20/79/10/312207910.db2.gz UKBRFXKFVSSJPW-MRXNPFEDSA-N 1 0 340.383 2.646 20 5 EFBDRO C[C@H]1COCCN1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317974 312208512 /nfs/dbraw/zinc/20/85/12/312208512.db2.gz XTCWELBZRWJJNH-KBXCAEBGSA-N 1 0 333.432 2.673 20 5 EFBDRO O=C(NCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000417331378 312209953 /nfs/dbraw/zinc/20/99/53/312209953.db2.gz WBNKDWPVIXBGOT-INIZCTEOSA-N 1 0 343.383 2.975 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417334646 312210521 /nfs/dbraw/zinc/21/05/21/312210521.db2.gz RKPOFUNBKMNKLB-HNNXBMFYSA-N 1 0 338.429 2.529 20 5 EFBDRO Cc1ncc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000417340029 312211439 /nfs/dbraw/zinc/21/14/39/312211439.db2.gz JHODIPMQFLVUQF-INIZCTEOSA-N 1 0 328.372 2.956 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345391 312212263 /nfs/dbraw/zinc/21/22/63/312212263.db2.gz UHQSDYDLTLYDDQ-SUMWQHHRSA-N 1 0 331.416 2.963 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CCC2 ZINC000417394623 312217736 /nfs/dbraw/zinc/21/77/36/312217736.db2.gz VNYWWLKTYLQYJD-IUODEOHRSA-N 1 0 325.359 2.901 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417397254 312218305 /nfs/dbraw/zinc/21/83/05/312218305.db2.gz XXJCPNNEKQNSDN-DGCLKSJQSA-N 1 0 343.374 2.984 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417397215 312218558 /nfs/dbraw/zinc/21/85/58/312218558.db2.gz XSLWMBGQALKLKD-TZMCWYRMSA-N 1 0 327.375 2.845 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417710272 312259544 /nfs/dbraw/zinc/25/95/44/312259544.db2.gz CXZFSILESZDALW-INIZCTEOSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417710090 312259712 /nfs/dbraw/zinc/25/97/12/312259712.db2.gz CTOQILTYOIZGMQ-WMLDXEAASA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417710096 312259740 /nfs/dbraw/zinc/25/97/40/312259740.db2.gz CTOQILTYOIZGMQ-YOEHRIQHSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417724446 312261667 /nfs/dbraw/zinc/26/16/67/312261667.db2.gz YTCVNSGNFIULIV-ZBFHGGJFSA-N 1 0 348.447 2.605 20 5 EFBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417724444 312261863 /nfs/dbraw/zinc/26/18/63/312261863.db2.gz YTCVNSGNFIULIV-GOEBONIOSA-N 1 0 348.447 2.605 20 5 EFBDRO C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000417737470 312263483 /nfs/dbraw/zinc/26/34/83/312263483.db2.gz XPHQSIZLNIWFIP-HOCLYGCPSA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417818213 312274574 /nfs/dbraw/zinc/27/45/74/312274574.db2.gz ASTYXGCUTZVHQR-CXAGYDPISA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417851203 312281631 /nfs/dbraw/zinc/28/16/31/312281631.db2.gz NEJRBFLMGOGJLV-ZFWWWQNUSA-N 1 0 334.420 2.796 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417854852 312282620 /nfs/dbraw/zinc/28/26/20/312282620.db2.gz QIAXRKKOCKXGBW-KGLIPLIRSA-N 1 0 334.420 2.735 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000417858899 312283912 /nfs/dbraw/zinc/28/39/12/312283912.db2.gz VNIILMQOXAFSAV-CQSZACIVSA-N 1 0 348.447 2.995 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418140533 312333207 /nfs/dbraw/zinc/33/32/07/312333207.db2.gz VRBSNUPPRYWXBD-GMMCIKNFSA-N 1 0 325.359 2.927 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418474192 312359354 /nfs/dbraw/zinc/35/93/54/312359354.db2.gz UPFHTWKUSMTETK-CQSZACIVSA-N 1 0 334.420 2.786 20 5 EFBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000420606142 312375357 /nfs/dbraw/zinc/37/53/57/312375357.db2.gz WRBAXLOJMGQVLO-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423512193 312427535 /nfs/dbraw/zinc/42/75/35/312427535.db2.gz QSEAYYOGSNOPEX-ZDUSSCGKSA-N 1 0 340.383 2.675 20 5 EFBDRO COc1cc(C(=O)N(CC[NH3+])Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000423555059 312432771 /nfs/dbraw/zinc/43/27/71/312432771.db2.gz LOZZXCMAQVUDFZ-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423579209 312434402 /nfs/dbraw/zinc/43/44/02/312434402.db2.gz VWOKINGMJQTZJP-NUEKZKHPSA-N 1 0 331.416 2.918 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423664076 312440391 /nfs/dbraw/zinc/44/03/91/312440391.db2.gz FAJVLAUPZPGZEQ-UHFFFAOYSA-N 1 0 345.852 2.974 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423678928 312441928 /nfs/dbraw/zinc/44/19/28/312441928.db2.gz LEQOKYMBWCQCNM-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423736292 312445858 /nfs/dbraw/zinc/44/58/58/312445858.db2.gz FIOFDEVDKPIQJF-GXSJLCMTSA-N 1 0 343.836 2.584 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000423955332 312488880 /nfs/dbraw/zinc/48/88/80/312488880.db2.gz CDKZFWJRBLNUPX-ZDUSSCGKSA-N 1 0 333.413 2.957 20 5 EFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000423979989 312494114 /nfs/dbraw/zinc/49/41/14/312494114.db2.gz QUEWEKQYSVGIJV-UHFFFAOYSA-N 1 0 332.385 2.771 20 5 EFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1csc([N+](=O)[O-])c1 ZINC000423981069 312494491 /nfs/dbraw/zinc/49/44/91/312494491.db2.gz VBBANAITOLXGNO-UHFFFAOYSA-N 1 0 338.414 2.832 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424005702 312494594 /nfs/dbraw/zinc/49/45/94/312494594.db2.gz SXUSJXYSCDOASL-VXGBXAGGSA-N 1 0 337.445 2.764 20 5 EFBDRO Cc1c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424013136 312496213 /nfs/dbraw/zinc/49/62/13/312496213.db2.gz QVVDEZOWYGNVFD-JKSUJKDBSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424038755 312501187 /nfs/dbraw/zinc/50/11/87/312501187.db2.gz XTSZRUWYIIIKHL-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424052800 312504020 /nfs/dbraw/zinc/50/40/20/312504020.db2.gz NDPSLLXBHZLAHY-MBNYWOFBSA-N 1 0 346.431 2.615 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432321901 312556020 /nfs/dbraw/zinc/55/60/20/312556020.db2.gz JEDLUXPMDPBLLH-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO CCn1cccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1=O ZINC000433060234 312594060 /nfs/dbraw/zinc/59/40/60/312594060.db2.gz GJFYWMORYHRCAS-CQSZACIVSA-N 1 0 329.400 2.887 20 5 EFBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433143601 312596004 /nfs/dbraw/zinc/59/60/04/312596004.db2.gz ZLJYDAQALVBNFW-WFASDCNBSA-N 1 0 331.372 2.807 20 5 EFBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000439104955 312633669 /nfs/dbraw/zinc/63/36/69/312633669.db2.gz GMPCPACPAHUJJK-HNNXBMFYSA-N 1 0 346.362 2.548 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cn3ccccc3n2)n1 ZINC000447505803 312677891 /nfs/dbraw/zinc/67/78/91/312677891.db2.gz ASTWWXZHNQOIPZ-LSDHHAIUSA-N 1 0 340.387 2.713 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000449337922 312684380 /nfs/dbraw/zinc/68/43/80/312684380.db2.gz TWTCGTVWXHOWJY-CYBMUJFWSA-N 1 0 328.416 2.928 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000453354312 312891635 /nfs/dbraw/zinc/89/16/35/312891635.db2.gz LLIJARSHTADBOT-KGLIPLIRSA-N 1 0 331.376 2.930 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453359729 312892578 /nfs/dbraw/zinc/89/25/78/312892578.db2.gz QFXXSZLINQEPHH-MJBXVCDLSA-N 1 0 332.408 2.842 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411346 312900149 /nfs/dbraw/zinc/90/01/49/312900149.db2.gz AKHHSCNOQPZOHE-NWANDNLSSA-N 1 0 347.415 2.798 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000458197028 313082771 /nfs/dbraw/zinc/08/27/71/313082771.db2.gz FQVJDTMLGOXFDT-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCC[NH+](C)C ZINC000458196818 313083398 /nfs/dbraw/zinc/08/33/98/313083398.db2.gz IXVFGCSUSMGNCL-UHFFFAOYSA-N 1 0 333.344 2.689 20 5 EFBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459636406 313111436 /nfs/dbraw/zinc/11/14/36/313111436.db2.gz HJSOJBOAQRRURI-ZDUSSCGKSA-N 1 0 342.399 2.590 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000470147115 313129555 /nfs/dbraw/zinc/12/95/55/313129555.db2.gz NDVMOXCGDAYEJR-ULMUJFMISA-N 1 0 329.400 2.584 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000470212858 313130009 /nfs/dbraw/zinc/13/00/09/313130009.db2.gz XXUFNUVACXQKQX-QINSGFPZSA-N 1 0 343.427 2.942 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000471809596 313162585 /nfs/dbraw/zinc/16/25/85/313162585.db2.gz IOCKMKCPEYJDQB-VXGBXAGGSA-N 1 0 332.356 2.819 20 5 EFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472339811 313187040 /nfs/dbraw/zinc/18/70/40/313187040.db2.gz UTQYZWRBFUMOKY-IRXDYDNUSA-N 1 0 333.432 2.859 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000474021161 313203744 /nfs/dbraw/zinc/20/37/44/313203744.db2.gz ZEXJIHNDFYXNFJ-UHFFFAOYSA-N 1 0 338.404 2.918 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000474340117 313207730 /nfs/dbraw/zinc/20/77/30/313207730.db2.gz DGUIZNYTOAHVQL-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO COc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000475111986 313218336 /nfs/dbraw/zinc/21/83/36/313218336.db2.gz REWDCUWCZBDMLT-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)F)CC1 ZINC000475210509 313220282 /nfs/dbraw/zinc/22/02/82/313220282.db2.gz HIYCJTBHMFNHAT-JTQLQIEISA-N 1 0 327.331 2.947 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486944924 313351148 /nfs/dbraw/zinc/35/11/48/313351148.db2.gz ZYLZCCZMAVHCGE-AWEZNQCLSA-N 1 0 331.376 2.565 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000487181968 313373623 /nfs/dbraw/zinc/37/36/23/313373623.db2.gz SHXULGZGKDMTND-VHUCWBOISA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)n(C)c1=O ZINC000487183788 313373956 /nfs/dbraw/zinc/37/39/56/313373956.db2.gz XAPKSZCTUHJQBM-UKTHLTGXSA-N 1 0 327.384 2.795 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489235027 313553329 /nfs/dbraw/zinc/55/33/29/313553329.db2.gz SWRQVTPBBKVZJX-AWEZNQCLSA-N 1 0 343.431 2.924 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491434052 313747913 /nfs/dbraw/zinc/74/79/13/313747913.db2.gz GNWJOPRNPCGCED-BVBGJJFLSA-N 1 0 347.390 2.834 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491531677 313760928 /nfs/dbraw/zinc/76/09/28/313760928.db2.gz HVQNPSCRXRQWIN-ALCCZGGFSA-N 1 0 335.379 2.690 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491564992 313765919 /nfs/dbraw/zinc/76/59/19/313765919.db2.gz ZWAMFCKSSSLEGN-ZPUOCTKUSA-N 1 0 329.400 2.695 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491947284 313820352 /nfs/dbraw/zinc/82/03/52/313820352.db2.gz DWHJHVKLILBDRB-BJIFSAINSA-N 1 0 331.416 2.798 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491956581 313822674 /nfs/dbraw/zinc/82/26/74/313822674.db2.gz BFBFXWRZIJKQSM-VURMDHGXSA-N 1 0 335.379 2.690 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492028291 313848546 /nfs/dbraw/zinc/84/85/46/313848546.db2.gz BEAALKGPWZJALF-KHPPLWFESA-N 1 0 331.416 2.942 20 5 EFBDRO C[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000492074497 313866527 /nfs/dbraw/zinc/86/65/27/313866527.db2.gz UOGFLRKPIHSDAN-ZVTBTPLYSA-N 1 0 337.395 2.840 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492626123 314063388 /nfs/dbraw/zinc/06/33/88/314063388.db2.gz RLRRGRIFPASJRR-HWKANZROSA-N 1 0 333.363 2.515 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000492914936 314174999 /nfs/dbraw/zinc/17/49/99/314174999.db2.gz UPAARDJDCSSICC-KTKRTIGZSA-N 1 0 343.427 2.942 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000493026529 314215824 /nfs/dbraw/zinc/21/58/24/314215824.db2.gz QTQCZRMTUQDEAS-JTHGQSKGSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@H](O)C[N@H+](C)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493109326 314243108 /nfs/dbraw/zinc/24/31/08/314243108.db2.gz ZLGKQLNKDKHPDP-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493110316 314243377 /nfs/dbraw/zinc/24/33/77/314243377.db2.gz ZUELRWHOSGKYCR-JTHGQSKGSA-N 1 0 343.427 2.845 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493171449 314265560 /nfs/dbraw/zinc/26/55/60/314265560.db2.gz MJFSVWOWNBIKFK-TVAVSAHYSA-N 1 0 347.390 2.769 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000493185837 314268916 /nfs/dbraw/zinc/26/89/16/314268916.db2.gz JNXCDPSSPNQZTM-DUXPYHPUSA-N 1 0 347.390 2.739 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493253245 314292876 /nfs/dbraw/zinc/29/28/76/314292876.db2.gz HPWHTOWYBOYNHO-SOFGYWHQSA-N 1 0 335.379 2.738 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493314394 314313059 /nfs/dbraw/zinc/31/30/59/314313059.db2.gz AQVDPGWBJSIENC-HWKANZROSA-N 1 0 335.379 2.595 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493353356 314326331 /nfs/dbraw/zinc/32/63/31/314326331.db2.gz NTXIKRNMXYAPJB-PMGBHYCQSA-N 1 0 335.379 2.690 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000493362176 314329366 /nfs/dbraw/zinc/32/93/66/314329366.db2.gz ZSKRDMFQOGFEFS-ZDUSSCGKSA-N 1 0 348.403 2.694 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493364001 314330203 /nfs/dbraw/zinc/33/02/03/314330203.db2.gz FTARYYCSMYOLTJ-OFTJQPPSSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000493489791 314375513 /nfs/dbraw/zinc/37/55/13/314375513.db2.gz OPWJOIOXJUBBBH-XQRVVYSFSA-N 1 0 335.379 2.738 20 5 EFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608138 314417140 /nfs/dbraw/zinc/41/71/40/314417140.db2.gz ZRQISLRJLIVYMK-RDJZCZTQSA-N 1 0 331.372 2.891 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000495545039 314751274 /nfs/dbraw/zinc/75/12/74/314751274.db2.gz XMUDEXLTTBHNGK-ZFWWWQNUSA-N 1 0 335.404 2.594 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496362968 315040137 /nfs/dbraw/zinc/04/01/37/315040137.db2.gz NXLALTBIAFSEEJ-UONOGXRCSA-N 1 0 333.388 2.738 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)(C)C ZINC000504911223 315450890 /nfs/dbraw/zinc/45/08/90/315450890.db2.gz CFZICLCERODIHR-LBPRGKRZSA-N 1 0 339.461 2.970 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507421380 315485255 /nfs/dbraw/zinc/48/52/55/315485255.db2.gz LPCVOEXQZZGOEM-RDBSUJKOSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000515166837 315596539 /nfs/dbraw/zinc/59/65/39/315596539.db2.gz KHGYLPRZVIUFLE-YCPHGPKFSA-N 1 0 338.452 2.737 20 5 EFBDRO CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000516563584 315685821 /nfs/dbraw/zinc/68/58/21/315685821.db2.gz LWQQHCHVOKTRLL-ZTFGCOKTSA-N 1 0 344.415 2.626 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000518363004 315808520 /nfs/dbraw/zinc/80/85/20/315808520.db2.gz YEHRIYFULQNIOD-NWDGAFQWSA-N 1 0 330.331 2.502 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518758318 315826851 /nfs/dbraw/zinc/82/68/51/315826851.db2.gz ZEWNZWYJJNERPF-GDBMZVCRSA-N 1 0 330.384 2.728 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CC[NH2+]C2 ZINC000519748020 315905499 /nfs/dbraw/zinc/90/54/99/315905499.db2.gz MTGJUUNFZGCNEZ-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519790213 315912779 /nfs/dbraw/zinc/91/27/79/315912779.db2.gz VRCSTBUGZZSQMH-WBVHZDCISA-N 1 0 344.411 2.945 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000520167950 315934053 /nfs/dbraw/zinc/93/40/53/315934053.db2.gz UOMMIYMLCIJSLR-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCC3CCOCC3)CC2)cn1 ZINC000520210976 315937910 /nfs/dbraw/zinc/93/79/10/315937910.db2.gz IZJKUYYNWOKZPH-UHFFFAOYSA-N 1 0 348.447 2.709 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1O ZINC000520610936 315970505 /nfs/dbraw/zinc/97/05/05/315970505.db2.gz COYMOIPLKXANSY-ZDUSSCGKSA-N 1 0 348.330 2.541 20 5 EFBDRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521862736 316048153 /nfs/dbraw/zinc/04/81/53/316048153.db2.gz JSHDOENIOHDZFG-CHWSQXEVSA-N 1 0 336.413 2.617 20 5 EFBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000522271974 316086063 /nfs/dbraw/zinc/08/60/63/316086063.db2.gz JPVADWWPNQMZBE-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000523675082 316133753 /nfs/dbraw/zinc/13/37/53/316133753.db2.gz NITZTJOJQOXVIG-GFCCVEGCSA-N 1 0 330.388 2.536 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000525153381 316191541 /nfs/dbraw/zinc/19/15/41/316191541.db2.gz JMIDRJLVXPOLFQ-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO CCc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000527050794 316327248 /nfs/dbraw/zinc/32/72/48/316327248.db2.gz HPVVESABTRXRNL-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000530365961 317115181 /nfs/dbraw/zinc/11/51/81/317115181.db2.gz HJFSECBIONUVJY-GFCCVEGCSA-N 1 0 326.418 2.521 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000530590488 317151748 /nfs/dbraw/zinc/15/17/48/317151748.db2.gz CLZINPONQBPWAZ-CQSZACIVSA-N 1 0 336.779 2.609 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000531306031 317248326 /nfs/dbraw/zinc/24/83/26/317248326.db2.gz GEEHYKXAXKNNHH-LBPRGKRZSA-N 1 0 337.763 2.874 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000531569744 317284855 /nfs/dbraw/zinc/28/48/55/317284855.db2.gz FUSRUXQMMJWFEY-CYBMUJFWSA-N 1 0 335.404 2.914 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000531946835 317335455 /nfs/dbraw/zinc/33/54/55/317335455.db2.gz VMARUEXERDJLNI-ZDUSSCGKSA-N 1 0 331.416 2.955 20 5 EFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532239562 317373706 /nfs/dbraw/zinc/37/37/06/317373706.db2.gz DFFVJADCOXIXEN-MGPQQGTHSA-N 1 0 337.420 2.699 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000537955496 317686376 /nfs/dbraw/zinc/68/63/76/317686376.db2.gz YOTSBDPUKLDEQP-GFCCVEGCSA-N 1 0 346.408 2.775 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000537981485 317687296 /nfs/dbraw/zinc/68/72/96/317687296.db2.gz NMVCJWUTBIFQIE-MJBXVCDLSA-N 1 0 340.445 2.910 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539276724 317717116 /nfs/dbraw/zinc/71/71/16/317717116.db2.gz JNPABLDAFVADBP-HNNXBMFYSA-N 1 0 341.411 2.994 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000540159813 317740617 /nfs/dbraw/zinc/74/06/17/317740617.db2.gz DREPOACBHUCUBC-LBPRGKRZSA-N 1 0 346.408 2.775 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCCCC1 ZINC000542136338 317804269 /nfs/dbraw/zinc/80/42/69/317804269.db2.gz FLEGOLSHZVQHIH-CQSZACIVSA-N 1 0 349.431 2.987 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000542912529 317834111 /nfs/dbraw/zinc/83/41/11/317834111.db2.gz ZVWCQXAKCHBZES-OAHLLOKOSA-N 1 0 338.404 2.513 20 5 EFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000547756550 318037675 /nfs/dbraw/zinc/03/76/75/318037675.db2.gz DMOPSIWFNNXXRO-UHFFFAOYSA-N 1 0 343.387 2.802 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000547760498 318038226 /nfs/dbraw/zinc/03/82/26/318038226.db2.gz FGZVVSAJZOHPEB-CQSZACIVSA-N 1 0 336.367 2.826 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000548416666 318105585 /nfs/dbraw/zinc/10/55/85/318105585.db2.gz DGASOLUUAOSPQH-GFCCVEGCSA-N 1 0 336.367 2.684 20 5 EFBDRO O=C(CC[NH2+]CCOc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548826223 318147824 /nfs/dbraw/zinc/14/78/24/318147824.db2.gz FALGNJUQBWGKKA-UHFFFAOYSA-N 1 0 329.356 2.592 20 5 EFBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550175420 318189289 /nfs/dbraw/zinc/18/92/89/318189289.db2.gz SRCNODSVSCHDIK-HACGYAERSA-N 1 0 346.383 2.841 20 5 EFBDRO COC1(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000551246610 318204298 /nfs/dbraw/zinc/20/42/98/318204298.db2.gz TVSSGJWCHJXDRA-CYBMUJFWSA-N 1 0 335.404 2.861 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000552030987 318238259 /nfs/dbraw/zinc/23/82/59/318238259.db2.gz ZAXAFDJHFNBOJG-MAUKXSAKSA-N 1 0 346.358 2.751 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000552145817 318245179 /nfs/dbraw/zinc/24/51/79/318245179.db2.gz JEDCVZVCVWZDRD-KCQAQPDRSA-N 1 0 349.456 2.771 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000553073749 318269909 /nfs/dbraw/zinc/26/99/09/318269909.db2.gz YHQCINZIEKWVNP-CYBMUJFWSA-N 1 0 335.404 2.610 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000553199059 318274563 /nfs/dbraw/zinc/27/45/63/318274563.db2.gz MKAGKQPYTRDHTM-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000554404396 318311152 /nfs/dbraw/zinc/31/11/52/318311152.db2.gz WRVCYFQEOWHBDI-DAXOMENPSA-N 1 0 335.404 2.595 20 5 EFBDRO O=C(CC[NH2+]CCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000554526345 318320672 /nfs/dbraw/zinc/32/06/72/318320672.db2.gz ZCWXHAHYMUTXGR-UHFFFAOYSA-N 1 0 331.347 2.895 20 5 EFBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554831196 318337732 /nfs/dbraw/zinc/33/77/32/318337732.db2.gz BNEHKVOAXCKERC-CRAIPNDOSA-N 1 0 344.411 2.864 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Cl)c1 ZINC000555516075 318358775 /nfs/dbraw/zinc/35/87/75/318358775.db2.gz NBCIYMVASVUTNN-AWEZNQCLSA-N 1 0 336.775 2.778 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555878908 318372672 /nfs/dbraw/zinc/37/26/72/318372672.db2.gz QRNRZBBJYKZOMO-OAHLLOKOSA-N 1 0 330.388 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000555929357 318374506 /nfs/dbraw/zinc/37/45/06/318374506.db2.gz SBNJIKPPOHQKDN-UHFFFAOYSA-N 1 0 330.266 2.505 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000556570274 318393722 /nfs/dbraw/zinc/39/37/22/318393722.db2.gz WMKGBMYZLRIZDR-UONOGXRCSA-N 1 0 334.420 2.685 20 5 EFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562603443 318670055 /nfs/dbraw/zinc/67/00/55/318670055.db2.gz KDPPVDSBHJQPCN-DZKIICNBSA-N 1 0 338.452 2.908 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000562767264 318697540 /nfs/dbraw/zinc/69/75/40/318697540.db2.gz BEGVULGVLJIHNI-UHFFFAOYSA-N 1 0 340.383 2.904 20 5 EFBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563748580 318813670 /nfs/dbraw/zinc/81/36/70/318813670.db2.gz VSACKMPHKQTIBG-DOTOQJQBSA-N 1 0 342.395 2.920 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000564446485 318863419 /nfs/dbraw/zinc/86/34/19/318863419.db2.gz MUHUXLYMVFTZJE-OAHLLOKOSA-N 1 0 332.404 2.859 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565300024 318956327 /nfs/dbraw/zinc/95/63/27/318956327.db2.gz MICMRVVSSUCYRT-SJCJKPOMSA-N 1 0 340.383 2.725 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565300022 318956354 /nfs/dbraw/zinc/95/63/54/318956354.db2.gz MICMRVVSSUCYRT-PXAZEXFGSA-N 1 0 340.383 2.725 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000565828525 319006569 /nfs/dbraw/zinc/00/65/69/319006569.db2.gz TUZZFKGSDAEOML-LEOMRAHMSA-N 1 0 342.395 2.870 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000565949395 319017732 /nfs/dbraw/zinc/01/77/32/319017732.db2.gz QZQNYYKXGACAGI-OAHLLOKOSA-N 1 0 340.383 2.808 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CSc2ccccc21 ZINC000566116017 319035035 /nfs/dbraw/zinc/03/50/35/319035035.db2.gz MXBSKAXMMMVRAX-OCCSQVGLSA-N 1 0 346.408 2.771 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000566125529 319036487 /nfs/dbraw/zinc/03/64/87/319036487.db2.gz TUZZFKGSDAEOML-BQFCYCMXSA-N 1 0 342.395 2.870 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000566467361 319080848 /nfs/dbraw/zinc/08/08/48/319080848.db2.gz VCWIAGUSTRRZCY-TXEJJXNPSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000566542155 319087170 /nfs/dbraw/zinc/08/71/70/319087170.db2.gz DWROJTKGVVCDOB-GJZGRUSLSA-N 1 0 332.408 2.529 20 5 EFBDRO CCOc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000567377009 319166012 /nfs/dbraw/zinc/16/60/12/319166012.db2.gz HDYAXZGMBSGUEH-UHFFFAOYSA-N 1 0 341.367 2.892 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000567586132 319185636 /nfs/dbraw/zinc/18/56/36/319185636.db2.gz IEEVFHUDMAVYKM-ZDUSSCGKSA-N 1 0 342.399 2.922 20 5 EFBDRO Cc1ccccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567679649 319195763 /nfs/dbraw/zinc/19/57/63/319195763.db2.gz ARVHHFBHKORWSI-UHFFFAOYSA-N 1 0 348.424 2.509 20 5 EFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nc(CN)no3)cc2[N+](=O)[O-])C1 ZINC000567849843 319217454 /nfs/dbraw/zinc/21/74/54/319217454.db2.gz JFRSPYRWZPMVCC-GHMZBOCLSA-N 1 0 331.376 2.586 20 5 EFBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000567891842 319222539 /nfs/dbraw/zinc/22/25/39/319222539.db2.gz WJUXOCKWKLJNDF-KRWDZBQOSA-N 1 0 343.383 2.901 20 5 EFBDRO O=C(NCCCCC[NH+]1CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000568359500 319274903 /nfs/dbraw/zinc/27/49/03/319274903.db2.gz FNBFGCKRKZIDAG-UHFFFAOYSA-N 1 0 334.420 2.660 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]CC1(O)CCCC1 ZINC000568382061 319277684 /nfs/dbraw/zinc/27/76/84/319277684.db2.gz LWMPDADRTLMLBB-UHFFFAOYSA-N 1 0 347.337 2.920 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000568758644 319315953 /nfs/dbraw/zinc/31/59/53/319315953.db2.gz WSTHXOIKHFGUQF-CQSZACIVSA-N 1 0 331.416 2.819 20 5 EFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000569110006 319349535 /nfs/dbraw/zinc/34/95/35/319349535.db2.gz CLQCDYFULDMLQB-BBRMVZONSA-N 1 0 335.404 2.717 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569237676 319362238 /nfs/dbraw/zinc/36/22/38/319362238.db2.gz GXGVYMFCVXPFCX-MRXNPFEDSA-N 1 0 325.368 2.732 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000569379767 319376049 /nfs/dbraw/zinc/37/60/49/319376049.db2.gz QGHAYUJAGHVADC-KBPBESRZSA-N 1 0 329.400 2.888 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000569453894 319381888 /nfs/dbraw/zinc/38/18/88/319381888.db2.gz NBRSPLWWGUOYOB-CYBMUJFWSA-N 1 0 346.431 2.629 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743103 319409454 /nfs/dbraw/zinc/40/94/54/319409454.db2.gz GELQHZJJFFXCEL-HNNXBMFYSA-N 1 0 343.383 2.893 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000571536067 319583991 /nfs/dbraw/zinc/58/39/91/319583991.db2.gz XVNXDFIKHMHZKH-UHFFFAOYSA-N 1 0 339.395 2.902 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000572104012 319636957 /nfs/dbraw/zinc/63/69/57/319636957.db2.gz JXYXOWDFAUOCLF-ULQDDVLXSA-N 1 0 349.479 2.985 20 5 EFBDRO CCN(C)c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000572335887 319658084 /nfs/dbraw/zinc/65/80/84/319658084.db2.gz GLVLDDCBXYZTCX-UHFFFAOYSA-N 1 0 330.388 2.615 20 5 EFBDRO COC(=O)CC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000572334669 319658210 /nfs/dbraw/zinc/65/82/10/319658210.db2.gz PCZANJSRQIEWHM-UHFFFAOYSA-N 1 0 336.388 2.829 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000572422616 319668546 /nfs/dbraw/zinc/66/85/46/319668546.db2.gz DIGJCANCWDADDD-MLGOLLRUSA-N 1 0 342.374 2.985 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000573793634 319798728 /nfs/dbraw/zinc/79/87/28/319798728.db2.gz GDYSJOXTQIOJIQ-LLVKDONJSA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000574923942 319908788 /nfs/dbraw/zinc/90/87/88/319908788.db2.gz JQSNRSYMJSOMBK-LBPRGKRZSA-N 1 0 337.445 2.663 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000575020507 319917825 /nfs/dbraw/zinc/91/78/25/319917825.db2.gz SPQKWTQFMIWDHT-OAHLLOKOSA-N 1 0 346.383 2.523 20 5 EFBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000575160922 319930855 /nfs/dbraw/zinc/93/08/55/319930855.db2.gz FAJMHLOZEGATOF-PBHICJAKSA-N 1 0 337.395 2.765 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575329501 319940514 /nfs/dbraw/zinc/94/05/14/319940514.db2.gz ITWTXWDVQCGVSM-VYDXJSESSA-N 1 0 342.399 2.918 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575355876 319942505 /nfs/dbraw/zinc/94/25/05/319942505.db2.gz MVPFONJSZXZXSA-TZMCWYRMSA-N 1 0 336.413 2.617 20 5 EFBDRO CCc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000575741309 319948903 /nfs/dbraw/zinc/94/89/03/319948903.db2.gz WNXQZMSNCUQVJL-ZDUSSCGKSA-N 1 0 331.416 2.761 20 5 EFBDRO CCOc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000575944157 319968778 /nfs/dbraw/zinc/96/87/78/319968778.db2.gz ZJLPTLUEYCUZAY-INIZCTEOSA-N 1 0 346.383 2.523 20 5 EFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576002658 319974904 /nfs/dbraw/zinc/97/49/04/319974904.db2.gz AZFVDMUIUZABMQ-PNPHSEOMSA-N 1 0 342.399 2.826 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576815658 320051134 /nfs/dbraw/zinc/05/11/34/320051134.db2.gz FVEOGYLTTIOPMG-JOYOIKCWSA-N 1 0 345.321 2.956 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576838067 320053742 /nfs/dbraw/zinc/05/37/42/320053742.db2.gz OMGMBPJPZQBWKS-ZDUSSCGKSA-N 1 0 339.823 2.939 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576838065 320053809 /nfs/dbraw/zinc/05/38/09/320053809.db2.gz OMGMBPJPZQBWKS-CYBMUJFWSA-N 1 0 339.823 2.939 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576908569 320059311 /nfs/dbraw/zinc/05/93/11/320059311.db2.gz WAWUASGREQDOOK-INIZCTEOSA-N 1 0 347.415 2.500 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000577055345 320073451 /nfs/dbraw/zinc/07/34/51/320073451.db2.gz LUIWXBFYUGFEON-BPQIPLTHSA-N 1 0 346.358 2.619 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000577628140 320129585 /nfs/dbraw/zinc/12/95/85/320129585.db2.gz RWYVVHKZKCXJQE-HOTGVXAUSA-N 1 0 331.416 2.926 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000577664740 320132029 /nfs/dbraw/zinc/13/20/29/320132029.db2.gz JNEVUOCEWAOYIU-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ncccc3O)CC2)cc1 ZINC000577799662 320144165 /nfs/dbraw/zinc/14/41/65/320144165.db2.gz PWNQOUYWGXRGLC-UHFFFAOYSA-N 1 0 329.356 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccccc2)cc1 ZINC000578161692 320179552 /nfs/dbraw/zinc/17/95/52/320179552.db2.gz VLAWSZSSJKLMJS-UHFFFAOYSA-N 1 0 348.424 2.591 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578234608 320187346 /nfs/dbraw/zinc/18/73/46/320187346.db2.gz IKANPUJNWKTGPL-WMLDXEAASA-N 1 0 347.415 2.814 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578234606 320187607 /nfs/dbraw/zinc/18/76/07/320187607.db2.gz IKANPUJNWKTGPL-PBHICJAKSA-N 1 0 347.415 2.814 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCOc1ccc2c(c1)OCC[NH2+]C2 ZINC000578315457 320194063 /nfs/dbraw/zinc/19/40/63/320194063.db2.gz QYUOYURMHMFWAY-UHFFFAOYSA-N 1 0 330.340 2.535 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](O)C(F)(F)F ZINC000181282100 323231333 /nfs/dbraw/zinc/23/13/33/323231333.db2.gz FWRADSUPYNJJIP-ZDUSSCGKSA-N 1 0 336.310 2.737 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000182281440 323274031 /nfs/dbraw/zinc/27/40/31/323274031.db2.gz RCRCGOYTIZJTHW-BBRMVZONSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCO1 ZINC000182370109 323279843 /nfs/dbraw/zinc/27/98/43/323279843.db2.gz XJSDYTTYJANNSN-KBPBESRZSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182519250 323287176 /nfs/dbraw/zinc/28/71/76/323287176.db2.gz ZLNYUYOJLIITOT-UONOGXRCSA-N 1 0 349.387 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183102044 323316567 /nfs/dbraw/zinc/31/65/67/323316567.db2.gz SFKDOCDYHIBDLI-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc([N+](=O)[O-])cc1F ZINC000184517551 323366254 /nfs/dbraw/zinc/36/62/54/323366254.db2.gz CMQWRVVOVODAIV-NSHDSACASA-N 1 0 346.362 2.933 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000184769179 323373886 /nfs/dbraw/zinc/37/38/86/323373886.db2.gz BHZLTJVNSCYQMA-HOTGVXAUSA-N 1 0 333.432 2.622 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000184769200 323374114 /nfs/dbraw/zinc/37/41/14/323374114.db2.gz BHZLTJVNSCYQMA-JKSUJKDBSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184765891 323374153 /nfs/dbraw/zinc/37/41/53/323374153.db2.gz BAJHTSZVRKXUPX-GFCCVEGCSA-N 1 0 337.395 2.826 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000184926340 323378271 /nfs/dbraw/zinc/37/82/71/323378271.db2.gz AUUKQKIJDCEYJX-GXTWGEPZSA-N 1 0 339.411 2.930 20 5 EFBDRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185033170 323380960 /nfs/dbraw/zinc/38/09/60/323380960.db2.gz RXFDUCRVFNJZLG-QWHCGFSZSA-N 1 0 337.395 2.686 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185108474 323383196 /nfs/dbraw/zinc/38/31/96/323383196.db2.gz VAKKWUXWLWZRMV-LBPRGKRZSA-N 1 0 325.384 2.636 20 5 EFBDRO C[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000185897733 323400589 /nfs/dbraw/zinc/40/05/89/323400589.db2.gz UJRNBEBKCBEHSO-BDJLRTHQSA-N 1 0 347.802 2.995 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296720919 323593819 /nfs/dbraw/zinc/59/38/19/323593819.db2.gz LWJJAXYPRMZQTJ-GFCCVEGCSA-N 1 0 338.383 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000579701987 324013814 /nfs/dbraw/zinc/01/38/14/324013814.db2.gz LQWXHOCILPIJGI-TZMCWYRMSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000579701977 324014419 /nfs/dbraw/zinc/01/44/19/324014419.db2.gz LQWXHOCILPIJGI-GXTWGEPZSA-N 1 0 344.358 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)nc2c1 ZINC000579709447 324016817 /nfs/dbraw/zinc/01/68/17/324016817.db2.gz SYSKBQYSANWEBD-LRDDRELGSA-N 1 0 330.388 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)nc2c1 ZINC000579709453 324017213 /nfs/dbraw/zinc/01/72/13/324017213.db2.gz SYSKBQYSANWEBD-WBMJQRKESA-N 1 0 330.388 2.862 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000580285435 324132130 /nfs/dbraw/zinc/13/21/30/324132130.db2.gz QERUUMVNBWECPD-CYBMUJFWSA-N 1 0 332.429 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000580828387 324245790 /nfs/dbraw/zinc/24/57/90/324245790.db2.gz MXSRDHULOJGLCW-INIZCTEOSA-N 1 0 343.383 2.813 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2occc21 ZINC000580947293 324273089 /nfs/dbraw/zinc/27/30/89/324273089.db2.gz OVLSDNWITXTHFX-JSGCOSHPSA-N 1 0 332.356 2.595 20 5 EFBDRO COc1ccc(OCCSCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000581308625 324348968 /nfs/dbraw/zinc/34/89/68/324348968.db2.gz WWOFNYHQUPVINW-UHFFFAOYSA-N 1 0 326.418 2.715 20 5 EFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000581484283 324388630 /nfs/dbraw/zinc/38/86/30/324388630.db2.gz BJTFDGQTUJKWCQ-FMKPAKJESA-N 1 0 338.452 2.594 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000581603043 324417511 /nfs/dbraw/zinc/41/75/11/324417511.db2.gz HSVDVQJOGWHPNM-ULQDDVLXSA-N 1 0 342.395 2.870 20 5 EFBDRO CNc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000582439396 324595550 /nfs/dbraw/zinc/59/55/50/324595550.db2.gz GKZNOAFZAQCHHL-UHFFFAOYSA-N 1 0 334.420 2.632 20 5 EFBDRO C[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000583398548 324804638 /nfs/dbraw/zinc/80/46/38/324804638.db2.gz YUCNOSAQTJKABK-JTQLQIEISA-N 1 0 347.246 2.949 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210931 449753933 /nfs/dbraw/zinc/75/39/33/449753933.db2.gz WQZLLYIYRPGSIK-ZFWWWQNUSA-N 1 0 327.388 2.565 20 5 EFBDRO CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000049480637 472950324 /nfs/dbraw/zinc/95/03/24/472950324.db2.gz VIVHHOOCVYRSCL-UHFFFAOYSA-N 1 0 330.182 2.638 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124093792 473211292 /nfs/dbraw/zinc/21/12/92/473211292.db2.gz DSULFNRDMXAXAY-KRWDZBQOSA-N 1 0 333.432 2.908 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081567663 473220645 /nfs/dbraw/zinc/22/06/45/473220645.db2.gz FXAAHAIXQBIVKZ-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095560773 473223220 /nfs/dbraw/zinc/22/32/20/473223220.db2.gz DRUKAFOOIUONFU-UHFFFAOYSA-N 1 0 339.439 2.998 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000139384911 473230781 /nfs/dbraw/zinc/23/07/81/473230781.db2.gz CGXGMGYCWDOAKR-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000139803209 473238785 /nfs/dbraw/zinc/23/87/85/473238785.db2.gz CDFSZMJJSSJLAJ-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000139934222 473240632 /nfs/dbraw/zinc/24/06/32/473240632.db2.gz HSDPBUQIPDNJJI-UHFFFAOYSA-N 1 0 349.822 2.694 20 5 EFBDRO CN1CC[NH+](CCCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112074190 473241675 /nfs/dbraw/zinc/24/16/75/473241675.db2.gz DVKYAWQFVZQTGG-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO COc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000140365876 473244675 /nfs/dbraw/zinc/24/46/75/473244675.db2.gz NWKOECFEDXMHID-UHFFFAOYSA-N 1 0 327.384 2.926 20 5 EFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000112333582 473256426 /nfs/dbraw/zinc/25/64/26/473256426.db2.gz XUGAYSZHHJABSM-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142163402 473261051 /nfs/dbraw/zinc/26/10/51/473261051.db2.gz XKAKYICAZZDVPW-DZGCQCFKSA-N 1 0 349.456 2.772 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000141964839 473259663 /nfs/dbraw/zinc/25/96/63/473259663.db2.gz NJIFGZHSOZBXDF-GFCCVEGCSA-N 1 0 335.429 2.627 20 5 EFBDRO Cn1cc(C[NH2+]CCc2nccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171052081 473264973 /nfs/dbraw/zinc/26/49/73/473264973.db2.gz NKESJUREFVPFHJ-UHFFFAOYSA-N 1 0 343.412 2.784 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000142823069 473268067 /nfs/dbraw/zinc/26/80/67/473268067.db2.gz WDUWBUKLMFTCFE-GFCCVEGCSA-N 1 0 335.433 2.714 20 5 EFBDRO CN1CC[NH+](CCCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000530543006 467992130 /nfs/dbraw/zinc/99/21/30/467992130.db2.gz SZPDCHNNOGFLQU-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000487651206 468048334 /nfs/dbraw/zinc/04/83/34/468048334.db2.gz XUQQAMQJLWILQP-GXTWGEPZSA-N 1 0 331.376 2.930 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCCCC1 ZINC000147707012 473311912 /nfs/dbraw/zinc/31/19/12/473311912.db2.gz DIYOUPUTHMWDND-CYBMUJFWSA-N 1 0 344.415 2.928 20 5 EFBDRO C[C@@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000162241573 473319294 /nfs/dbraw/zinc/31/92/94/473319294.db2.gz MJOYICMRDVRZNS-KBPBESRZSA-N 1 0 333.432 2.972 20 5 EFBDRO COC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000083169467 473326300 /nfs/dbraw/zinc/32/63/00/473326300.db2.gz ZWTYRYXEBBBDJC-UHFFFAOYSA-N 1 0 335.360 2.757 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000112919540 473332001 /nfs/dbraw/zinc/33/20/01/473332001.db2.gz MJWPULMUOBAKSZ-UHFFFAOYSA-N 1 0 336.436 2.513 20 5 EFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112987621 473338453 /nfs/dbraw/zinc/33/84/53/473338453.db2.gz PIXLSEHSWDQNSK-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162444319 473339276 /nfs/dbraw/zinc/33/92/76/473339276.db2.gz MTDVUCUTBLVCGG-UHFFFAOYSA-N 1 0 345.193 2.742 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150817530 473359512 /nfs/dbraw/zinc/35/95/12/473359512.db2.gz GINYQJGRBLURJR-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000113247802 473373492 /nfs/dbraw/zinc/37/34/92/473373492.db2.gz DCWCMYXLIYTPQO-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000162730930 473375720 /nfs/dbraw/zinc/37/57/20/473375720.db2.gz JKDUPADIHLWYHB-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125220332 473375879 /nfs/dbraw/zinc/37/58/79/473375879.db2.gz ZGPPOCVPGQDHIQ-RYUDHWBXSA-N 1 0 349.387 2.773 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000162778661 473381493 /nfs/dbraw/zinc/38/14/93/473381493.db2.gz LAHRIRMRLMVGQM-NXEZZACHSA-N 1 0 346.330 2.719 20 5 EFBDRO Cn1c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc2c1cccc2F ZINC000113358950 473387624 /nfs/dbraw/zinc/38/76/24/473387624.db2.gz GEXWVQZSBOSCIX-UHFFFAOYSA-N 1 0 328.347 2.953 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162836059 473388911 /nfs/dbraw/zinc/38/89/11/473388911.db2.gz PFCBDMULHMEJNF-GFCCVEGCSA-N 1 0 343.811 2.651 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000162841168 473389482 /nfs/dbraw/zinc/38/94/82/473389482.db2.gz ZRPOEEXDLVMZLB-SCLBCKFNSA-N 1 0 339.395 2.967 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619782647 479883039 /nfs/dbraw/zinc/88/30/39/479883039.db2.gz IEVHVCQHPQNTBD-NSHDSACASA-N 1 0 331.397 2.896 20 5 EFBDRO C[C@@](C[NH3+])(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000422833796 476800366 /nfs/dbraw/zinc/80/03/66/476800366.db2.gz WQAODVDVLMZBRA-AWEZNQCLSA-N 1 0 343.836 2.584 20 5 EFBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451465119 478031155 /nfs/dbraw/zinc/03/11/55/478031155.db2.gz ZSTZWQRJAAXQAL-INIZCTEOSA-N 1 0 329.400 2.796 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000451589306 478111232 /nfs/dbraw/zinc/11/12/32/478111232.db2.gz IJYMGISOGZWOMW-CVEARBPZSA-N 1 0 336.388 2.685 20 5 EFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495119267 478125292 /nfs/dbraw/zinc/12/52/92/478125292.db2.gz PAJSULMOOIFSBH-WDEREUQCSA-N 1 0 343.811 2.649 20 5 EFBDRO C[C@H]1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000602578187 479407233 /nfs/dbraw/zinc/40/72/33/479407233.db2.gz KSCFAGDENZZKLZ-STQMWFEESA-N 1 0 334.420 2.504 20 5 EFBDRO CC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000007365399 471610080 /nfs/dbraw/zinc/61/00/80/471610080.db2.gz DVZHRTRHTRGPLQ-UHFFFAOYSA-N 1 0 326.356 2.519 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000008143565 471667063 /nfs/dbraw/zinc/66/70/63/471667063.db2.gz YFRQYACWCHXPJG-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO Cc1cccc(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000009916955 471723678 /nfs/dbraw/zinc/72/36/78/471723678.db2.gz LXDYHRNWXIJCOF-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000009917223 471723752 /nfs/dbraw/zinc/72/37/52/471723752.db2.gz FXMWEKRWOYWQFH-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010017823 471725723 /nfs/dbraw/zinc/72/57/23/471725723.db2.gz RRSZAOKZHIQJAF-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000010707795 471740173 /nfs/dbraw/zinc/74/01/73/471740173.db2.gz LRACVENBKOBFKH-UHFFFAOYSA-N 1 0 339.395 2.943 20 5 EFBDRO C[N@H+](CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000018061978 471967992 /nfs/dbraw/zinc/96/79/92/471967992.db2.gz WBRDXCVEQCLAGD-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053405070 472004655 /nfs/dbraw/zinc/00/46/55/472004655.db2.gz YQQAMUNUDCNSKT-LLVKDONJSA-N 1 0 325.434 2.897 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053405072 472004932 /nfs/dbraw/zinc/00/49/32/472004932.db2.gz YQQAMUNUDCNSKT-NSHDSACASA-N 1 0 325.434 2.897 20 5 EFBDRO CNC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053577091 472021571 /nfs/dbraw/zinc/02/15/71/472021571.db2.gz ICJNFNXKLKLFBZ-SCLBCKFNSA-N 1 0 348.447 2.877 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000067373279 472024937 /nfs/dbraw/zinc/02/49/37/472024937.db2.gz UTYTXLUYXBSGDA-ZDUSSCGKSA-N 1 0 327.812 2.753 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067682927 472070577 /nfs/dbraw/zinc/07/05/77/472070577.db2.gz GJEMHYSLVMMFIA-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067715154 472078536 /nfs/dbraw/zinc/07/85/36/472078536.db2.gz RCLKTGBCMQWZHI-DAYGRLMNSA-N 1 0 333.432 2.668 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC000054373837 472082358 /nfs/dbraw/zinc/08/23/58/472082358.db2.gz QGNUCHRJFWOUPE-INIZCTEOSA-N 1 0 330.388 2.518 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000054461558 472090320 /nfs/dbraw/zinc/09/03/20/472090320.db2.gz GAFGGIGDGSDRIW-UHFFFAOYSA-N 1 0 325.434 2.634 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000054644076 472104272 /nfs/dbraw/zinc/10/42/72/472104272.db2.gz XYWNTDGKFUODLO-HNNXBMFYSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000054647055 472104526 /nfs/dbraw/zinc/10/45/26/472104526.db2.gz OYFONNBVPLSBNS-CABCVRRESA-N 1 0 348.447 2.699 20 5 EFBDRO CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000054645831 472104902 /nfs/dbraw/zinc/10/49/02/472104902.db2.gz OEACPYYUJZBCEL-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO CC1CCC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000042475185 472138079 /nfs/dbraw/zinc/13/80/79/472138079.db2.gz IUKNQWNNOLEJIM-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000026476360 472138776 /nfs/dbraw/zinc/13/87/76/472138776.db2.gz WXMJDZFVWGJXIG-HIFRSBDPSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000026480176 472138943 /nfs/dbraw/zinc/13/89/43/472138943.db2.gz ADRGGEAYAOFZLO-ZFWWWQNUSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000026480153 472139437 /nfs/dbraw/zinc/13/94/37/472139437.db2.gz ADRGGEAYAOFZLO-UKRRQHHQSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000084251521 472160385 /nfs/dbraw/zinc/16/03/85/472160385.db2.gz KDOUUDQDSREHHH-UHFFFAOYSA-N 1 0 339.442 2.922 20 5 EFBDRO CCC1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000075641485 472175025 /nfs/dbraw/zinc/17/50/25/472175025.db2.gz OPBUBDWJYYYBFQ-MQBCKMQZSA-N 1 0 336.436 2.585 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000027592153 472186575 /nfs/dbraw/zinc/18/65/75/472186575.db2.gz TXQLRMZOIQIOPF-GFCCVEGCSA-N 1 0 337.376 2.828 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000027740260 472194067 /nfs/dbraw/zinc/19/40/67/472194067.db2.gz DZPNCURSTVSIHX-ZDUSSCGKSA-N 1 0 337.445 2.678 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000043084533 472196694 /nfs/dbraw/zinc/19/66/94/472196694.db2.gz JCOWBRAXYZPMKJ-OLZOCXBDSA-N 1 0 334.420 2.629 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476158 472197996 /nfs/dbraw/zinc/19/79/96/472197996.db2.gz AHSGOQWKFQMXCJ-CYBMUJFWSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834823 472203353 /nfs/dbraw/zinc/20/33/53/472203353.db2.gz CNJDOOIBJBYIGD-MRXNPFEDSA-N 1 0 333.432 2.781 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000084649800 472203752 /nfs/dbraw/zinc/20/37/52/472203752.db2.gz URWUGXLSLHZHIR-UHFFFAOYSA-N 1 0 335.452 2.665 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000043147877 472205475 /nfs/dbraw/zinc/20/54/75/472205475.db2.gz GXHRWZBCVLAXTP-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1cccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000055757873 472235519 /nfs/dbraw/zinc/23/55/19/472235519.db2.gz AZBUBJQNVDVZBR-GUTXKFCHSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085366260 472239863 /nfs/dbraw/zinc/23/98/63/472239863.db2.gz MGZHPZVNFNPGSH-ZDUSSCGKSA-N 1 0 336.436 2.713 20 5 EFBDRO Cc1nn(C)c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000076065069 472258215 /nfs/dbraw/zinc/25/82/15/472258215.db2.gz UDYBDWJUSMKPGW-INIZCTEOSA-N 1 0 343.431 2.595 20 5 EFBDRO COc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000043966568 472277519 /nfs/dbraw/zinc/27/75/19/472277519.db2.gz ZFHPUTOLAAQPEH-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069031681 472279074 /nfs/dbraw/zinc/27/90/74/472279074.db2.gz DHBRCCZDMOYBHW-INIZCTEOSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069031677 472279241 /nfs/dbraw/zinc/27/92/41/472279241.db2.gz DHBRCCZDMOYBHW-MRXNPFEDSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000069032983 472280791 /nfs/dbraw/zinc/28/07/91/472280791.db2.gz NNHAJEWBEFTXGM-KRWDZBQOSA-N 1 0 333.432 2.924 20 5 EFBDRO C[N@H+](CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526820 472280766 /nfs/dbraw/zinc/28/07/66/472280766.db2.gz PMZGGMDOGRSRDG-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000029585351 472282747 /nfs/dbraw/zinc/28/27/47/472282747.db2.gz RIANOPCUMHZXFV-UHFFFAOYSA-N 1 0 326.400 2.829 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000056168236 472289342 /nfs/dbraw/zinc/28/93/42/472289342.db2.gz VFPVTKRHVPZPPK-OCCSQVGLSA-N 1 0 329.356 2.753 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C(C)C)CC1 ZINC000069084058 472289465 /nfs/dbraw/zinc/28/94/65/472289465.db2.gz HGDLVBUTLAXJEN-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197388 472292694 /nfs/dbraw/zinc/29/26/94/472292694.db2.gz GASUEFNHTHIWNY-KGLIPLIRSA-N 1 0 327.384 2.950 20 5 EFBDRO COc1cccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000044314288 472297109 /nfs/dbraw/zinc/29/71/09/472297109.db2.gz XENQDJBKMDGHKF-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1cc(C[N@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000613379444 479980907 /nfs/dbraw/zinc/98/09/07/479980907.db2.gz YSSCBNDVSYXXEE-UHFFFAOYSA-N 1 0 348.374 2.780 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056346431 472309407 /nfs/dbraw/zinc/30/94/07/472309407.db2.gz IXDNRXQHDSBDBL-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076407327 472341801 /nfs/dbraw/zinc/34/18/01/472341801.db2.gz BIYCJXYBTBZQBH-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](C2CCCC2)CC1 ZINC000056689957 472344544 /nfs/dbraw/zinc/34/45/44/472344544.db2.gz VLAMXZNVJHDEEQ-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056786854 472351739 /nfs/dbraw/zinc/35/17/39/472351739.db2.gz YTLXWRKEWCMIQA-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000088250882 472352361 /nfs/dbraw/zinc/35/23/61/472352361.db2.gz LUDJKOZRANILCV-UHFFFAOYSA-N 1 0 331.372 2.700 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088480233 472366656 /nfs/dbraw/zinc/36/66/56/472366656.db2.gz YBMWSXQQQPISDE-UHFFFAOYSA-N 1 0 346.431 2.539 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045083819 472372048 /nfs/dbraw/zinc/37/20/48/472372048.db2.gz APQHYJGRSILORD-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C)CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000088599504 472374676 /nfs/dbraw/zinc/37/46/76/472374676.db2.gz NWAJYFMDXOXLAG-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057156312 472387886 /nfs/dbraw/zinc/38/78/86/472387886.db2.gz AZIGITKAZIFAFV-AWEZNQCLSA-N 1 0 337.420 2.600 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389611 479984682 /nfs/dbraw/zinc/98/46/82/479984682.db2.gz OXGRVPHSWPWODO-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000154192591 472401114 /nfs/dbraw/zinc/40/11/14/472401114.db2.gz PTGLQQYDUBDHBO-GZBFAFLISA-N 1 0 338.404 2.838 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)[NH2+]1 ZINC000154236827 472406600 /nfs/dbraw/zinc/40/66/00/472406600.db2.gz WPJIFUKSXAUGON-GHMZBOCLSA-N 1 0 346.412 2.541 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000097010408 472408536 /nfs/dbraw/zinc/40/85/36/472408536.db2.gz IBZSEVNNWWUAKP-CZUORRHYSA-N 1 0 334.420 2.782 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000057288196 472410615 /nfs/dbraw/zinc/41/06/15/472410615.db2.gz CQGZPGRMYXWQTJ-INIZCTEOSA-N 1 0 341.411 2.806 20 5 EFBDRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033675 472414770 /nfs/dbraw/zinc/41/47/70/472414770.db2.gz KBGRICMEGNTBIS-JTQLQIEISA-N 1 0 331.376 2.532 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOC2(CCC2)C1 ZINC000154372455 472424078 /nfs/dbraw/zinc/42/40/78/472424078.db2.gz SREQHIJUKVTWQL-GFCCVEGCSA-N 1 0 344.371 2.961 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128282554 472429131 /nfs/dbraw/zinc/42/91/31/472429131.db2.gz LTZINMHUHMBHMX-FYCOFBDGSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154618385 472451601 /nfs/dbraw/zinc/45/16/01/472451601.db2.gz KDKBSBGAQGNQMQ-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154650753 472456865 /nfs/dbraw/zinc/45/68/65/472456865.db2.gz QYFSLOKWZODDBU-DOMZBBRYSA-N 1 0 342.399 2.602 20 5 EFBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1ccnc1 ZINC000128484729 472457736 /nfs/dbraw/zinc/45/77/36/472457736.db2.gz BGLCOGLFNCWSRD-WBMJQRKESA-N 1 0 346.362 2.583 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000154673015 472458487 /nfs/dbraw/zinc/45/84/87/472458487.db2.gz XJTJHWPXZULYJO-ZDUSSCGKSA-N 1 0 344.415 2.849 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057716859 472466465 /nfs/dbraw/zinc/46/64/65/472466465.db2.gz HIIOEDKEJPCANG-VXGBXAGGSA-N 1 0 337.445 2.674 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117742600 472477946 /nfs/dbraw/zinc/47/79/46/472477946.db2.gz LMLNKTBKCZQTOE-UHFFFAOYSA-N 1 0 327.812 2.639 20 5 EFBDRO COCCN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154822587 472476369 /nfs/dbraw/zinc/47/63/69/472476369.db2.gz BMMPSVNSANGTHK-SFHVURJKSA-N 1 0 347.459 2.616 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644551 472477530 /nfs/dbraw/zinc/47/75/30/472477530.db2.gz VGKACJPZKQEZEM-HZPDHXFCSA-N 1 0 345.374 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000089644939 472478389 /nfs/dbraw/zinc/47/83/89/472478389.db2.gz CJPPQTINOWZGFD-HZPDHXFCSA-N 1 0 345.374 2.781 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000089728821 472494482 /nfs/dbraw/zinc/49/44/82/472494482.db2.gz JWCRBBQGGZKKEV-TZMCWYRMSA-N 1 0 335.404 2.653 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000154991312 472494566 /nfs/dbraw/zinc/49/45/66/472494566.db2.gz NDMOFOPQOLAKHF-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C1CCCCN1CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118851921 472511029 /nfs/dbraw/zinc/51/10/29/472511029.db2.gz SCZRYBAWMOABIR-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1cccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)c1 ZINC000070790986 472512698 /nfs/dbraw/zinc/51/26/98/472512698.db2.gz MMFFZLLCGBMWCC-HNNXBMFYSA-N 1 0 345.403 2.586 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000118987670 472516968 /nfs/dbraw/zinc/51/69/68/472516968.db2.gz DAOMDSNHTOCMJG-HOTGVXAUSA-N 1 0 331.416 2.714 20 5 EFBDRO CC[NH+]1CCC(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118983083 472517737 /nfs/dbraw/zinc/51/77/37/472517737.db2.gz HKYQGEQNLMYBKQ-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000129066438 472519875 /nfs/dbraw/zinc/51/98/75/472519875.db2.gz ZAHNDJMPCNGNBA-ABAIWWIYSA-N 1 0 337.807 2.805 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCO[C@H]1CCOC1)C1CC1 ZINC000119037286 472520760 /nfs/dbraw/zinc/52/07/60/472520760.db2.gz QJWDMJXTYDTOCQ-DLBZAZTESA-N 1 0 334.416 2.701 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCO[C@H]1CCOC1)C1CC1 ZINC000119037193 472521703 /nfs/dbraw/zinc/52/17/03/472521703.db2.gz QJWDMJXTYDTOCQ-IRXDYDNUSA-N 1 0 334.416 2.701 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000129313086 472536672 /nfs/dbraw/zinc/53/66/72/472536672.db2.gz NTTBOUDHZQSTHI-CQSZACIVSA-N 1 0 327.384 2.952 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058309637 472542716 /nfs/dbraw/zinc/54/27/16/472542716.db2.gz QOFPGTJBHZGMJH-UHFFFAOYSA-N 1 0 349.431 2.602 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119355117 472548652 /nfs/dbraw/zinc/54/86/52/472548652.db2.gz ZUEGZHPXSSRTBI-OCCSQVGLSA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000046365911 472548659 /nfs/dbraw/zinc/54/86/59/472548659.db2.gz UFVLEKFZAGSIAF-CABCVRRESA-N 1 0 348.447 2.857 20 5 EFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000089935290 472552626 /nfs/dbraw/zinc/55/26/26/472552626.db2.gz JFSNJRFXLGMCCI-BBRMVZONSA-N 1 0 331.372 2.843 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000058399471 472563102 /nfs/dbraw/zinc/56/31/02/472563102.db2.gz JGXKPIXMSMHNHN-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000058476001 472574295 /nfs/dbraw/zinc/57/42/95/472574295.db2.gz XDNQNALOPBDBNA-GFCCVEGCSA-N 1 0 325.434 2.897 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000130046342 472581156 /nfs/dbraw/zinc/58/11/56/472581156.db2.gz OGKCRAZBRPEIAB-LBPRGKRZSA-N 1 0 347.419 2.754 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000130046124 472581525 /nfs/dbraw/zinc/58/15/25/472581525.db2.gz OGKCRAZBRPEIAB-GFCCVEGCSA-N 1 0 347.419 2.754 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCn1cnnc1C1CC1)C1CC1 ZINC000090032384 472583454 /nfs/dbraw/zinc/58/34/54/472583454.db2.gz IEOFGLOMMHPIGC-INIZCTEOSA-N 1 0 341.415 2.675 20 5 EFBDRO C[NH+](C)CC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000130086779 472584561 /nfs/dbraw/zinc/58/45/61/472584561.db2.gz FOBRCHUQWWYPGV-UHFFFAOYSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CCOCC1 ZINC000090046748 472584680 /nfs/dbraw/zinc/58/46/80/472584680.db2.gz IVLRQAOJSRLHKZ-HOTGVXAUSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CCOCC1 ZINC000090046749 472585608 /nfs/dbraw/zinc/58/56/08/472585608.db2.gz IVLRQAOJSRLHKZ-CVEARBPZSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000102676860 472589011 /nfs/dbraw/zinc/58/90/11/472589011.db2.gz FJTPBWOQIZPFJF-NSHDSACASA-N 1 0 343.339 2.613 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058734058 472596753 /nfs/dbraw/zinc/59/67/53/472596753.db2.gz HBTNUBCJNQESEU-UHFFFAOYSA-N 1 0 346.353 2.663 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000102926066 472600263 /nfs/dbraw/zinc/60/02/63/472600263.db2.gz RDCCHYJGSQOWKF-MRXNPFEDSA-N 1 0 329.400 2.748 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102926243 472600319 /nfs/dbraw/zinc/60/03/19/472600319.db2.gz VUJRABXUBUNQHM-ZDUSSCGKSA-N 1 0 347.371 2.527 20 5 EFBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000058883004 472608530 /nfs/dbraw/zinc/60/85/30/472608530.db2.gz BSEBXMQVPLYGHG-UHFFFAOYSA-N 1 0 337.420 2.653 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000155814841 472620148 /nfs/dbraw/zinc/62/01/48/472620148.db2.gz BPECKVZBIKQZGS-QWHCGFSZSA-N 1 0 338.371 2.982 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394192 472625054 /nfs/dbraw/zinc/62/50/54/472625054.db2.gz VPUKFMCTYJOJHD-MRXNPFEDSA-N 1 0 346.362 2.548 20 5 EFBDRO Cc1nn(C)cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130722830 472625292 /nfs/dbraw/zinc/62/52/92/472625292.db2.gz MAVBUUXUMLUDGV-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccc(F)cc1 ZINC000090519105 472628899 /nfs/dbraw/zinc/62/88/99/472628899.db2.gz AFLAFDZSLROCGR-CYBMUJFWSA-N 1 0 333.363 2.979 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000090518864 472628929 /nfs/dbraw/zinc/62/89/29/472628929.db2.gz CVBXKXZMHXMABK-INIZCTEOSA-N 1 0 331.347 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000130821662 472630288 /nfs/dbraw/zinc/63/02/88/472630288.db2.gz GWOZBQGEJRIGRM-SFHVURJKSA-N 1 0 328.368 2.565 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000130821435 472630937 /nfs/dbraw/zinc/63/09/37/472630937.db2.gz GWOZBQGEJRIGRM-GOSISDBHSA-N 1 0 328.368 2.565 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000059894202 472631555 /nfs/dbraw/zinc/63/15/55/472631555.db2.gz TUFJQFQWWQMWAE-PXAZEXFGSA-N 1 0 337.395 2.974 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000090539654 472631654 /nfs/dbraw/zinc/63/16/54/472631654.db2.gz DMTCSQFKLMQQOD-WMLDXEAASA-N 1 0 330.388 2.549 20 5 EFBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550818 472633334 /nfs/dbraw/zinc/63/33/34/472633334.db2.gz DZVIKGWUYNTIDO-GUYCJALGSA-N 1 0 345.374 2.979 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000090553266 472635113 /nfs/dbraw/zinc/63/51/13/472635113.db2.gz ZHIQQVXFHLRNFB-GOSISDBHSA-N 1 0 339.395 2.908 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000090554063 472635404 /nfs/dbraw/zinc/63/54/04/472635404.db2.gz QKWZAKOYBWQJNF-UHFFFAOYSA-N 1 0 345.374 2.955 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047015380 472641944 /nfs/dbraw/zinc/64/19/44/472641944.db2.gz DPGAOFRBRFDNQZ-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090619191 472645054 /nfs/dbraw/zinc/64/50/54/472645054.db2.gz JZJLYYKSYLPSJM-CQSZACIVSA-N 1 0 332.404 2.611 20 5 EFBDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090644567 472647701 /nfs/dbraw/zinc/64/77/01/472647701.db2.gz GAWWJUKBUYDHLZ-GFCCVEGCSA-N 1 0 348.424 2.983 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[N@@H+](C3CCCC3)CC2)nc2sccn21 ZINC000077994973 472649671 /nfs/dbraw/zinc/64/96/71/472649671.db2.gz GUHRKHNUESNUAQ-UHFFFAOYSA-N 1 0 335.433 2.759 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000060395525 472651084 /nfs/dbraw/zinc/65/10/84/472651084.db2.gz ANZRZWVLSHRZOP-UHFFFAOYSA-N 1 0 333.432 2.716 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060412771 472654673 /nfs/dbraw/zinc/65/46/73/472654673.db2.gz FDICAPGZAGUNRV-ZIAGYGMSSA-N 1 0 349.431 2.986 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000131374082 472667489 /nfs/dbraw/zinc/66/74/89/472667489.db2.gz NCIXAJRZPFBZHD-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000131373898 472667607 /nfs/dbraw/zinc/66/76/07/472667607.db2.gz NCIXAJRZPFBZHD-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000072573899 472679983 /nfs/dbraw/zinc/67/99/83/472679983.db2.gz QSIWGHCAIBERFH-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000104678574 472682251 /nfs/dbraw/zinc/68/22/51/472682251.db2.gz GSPXOYZCQNJNQL-UHFFFAOYSA-N 1 0 349.309 2.816 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000072600483 472684173 /nfs/dbraw/zinc/68/41/73/472684173.db2.gz WZTDBLXKAYCDCO-AWEZNQCLSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[NH+]1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000120436360 472688188 /nfs/dbraw/zinc/68/81/88/472688188.db2.gz UCRFEHKBTKCSKN-UHFFFAOYSA-N 1 0 341.795 2.931 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+]1CCOCC1 ZINC000078295390 472690185 /nfs/dbraw/zinc/69/01/85/472690185.db2.gz RKPBXKFAFNVVNF-LLVKDONJSA-N 1 0 345.346 2.576 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000613450825 480004034 /nfs/dbraw/zinc/00/40/34/480004034.db2.gz GQZBJGBAASNQHP-AWEZNQCLSA-N 1 0 334.347 2.606 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCOCC1 ZINC000120467700 472695282 /nfs/dbraw/zinc/69/52/82/472695282.db2.gz OWQAHJUHCWLYFN-CYBMUJFWSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000078322667 472695944 /nfs/dbraw/zinc/69/59/44/472695944.db2.gz XIVCFOVKWLTIBN-CYBMUJFWSA-N 1 0 349.412 2.698 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCOc3ccccc3)C2)nc1 ZINC000072665249 472696684 /nfs/dbraw/zinc/69/66/84/472696684.db2.gz FXHASKSSOFMMSC-OAHLLOKOSA-N 1 0 342.399 2.945 20 5 EFBDRO CN(C)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665003 472697062 /nfs/dbraw/zinc/69/70/62/472697062.db2.gz QFMHGYORZOSMQR-OAHLLOKOSA-N 1 0 341.415 2.742 20 5 EFBDRO Nc1nc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000078333965 472697187 /nfs/dbraw/zinc/69/71/87/472697187.db2.gz WVYNLXNODGIFLO-CQSZACIVSA-N 1 0 342.403 2.606 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000131908539 472700979 /nfs/dbraw/zinc/70/09/79/472700979.db2.gz SUMMHWPEEDRHPM-MRXNPFEDSA-N 1 0 329.356 2.652 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000091098708 472705229 /nfs/dbraw/zinc/70/52/29/472705229.db2.gz CNEGUGQGBUMJHG-CYBMUJFWSA-N 1 0 337.445 2.557 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000091098320 472705586 /nfs/dbraw/zinc/70/55/86/472705586.db2.gz JOSRIKQCYONZOQ-GFCCVEGCSA-N 1 0 325.434 2.631 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725457 472710464 /nfs/dbraw/zinc/71/04/64/472710464.db2.gz NIRSKPDRYHAAPC-ZBFHGGJFSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000078398497 472710719 /nfs/dbraw/zinc/71/07/19/472710719.db2.gz AJFZARQJXNALMG-LSDHHAIUSA-N 1 0 349.431 2.661 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C)CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000120756657 472742096 /nfs/dbraw/zinc/74/20/96/472742096.db2.gz GEXYZMXXNLJPLZ-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120788152 472746782 /nfs/dbraw/zinc/74/67/82/472746782.db2.gz WKMVISVRGKQJMT-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000105481575 472753974 /nfs/dbraw/zinc/75/39/74/472753974.db2.gz WWYHYJIQIFTRPR-GFCCVEGCSA-N 1 0 331.397 2.692 20 5 EFBDRO Cc1nn(C)c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689427 472755250 /nfs/dbraw/zinc/75/52/50/472755250.db2.gz JKWVVUOJTMIDPM-CQSZACIVSA-N 1 0 343.431 2.738 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000105599804 472761498 /nfs/dbraw/zinc/76/14/98/472761498.db2.gz XALRHSAYJGEXMY-UHFFFAOYSA-N 1 0 346.431 2.725 20 5 EFBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000063273005 472765075 /nfs/dbraw/zinc/76/50/75/472765075.db2.gz HYOFQKFWYBOSDA-UHFFFAOYSA-N 1 0 331.416 2.979 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000091481860 472772005 /nfs/dbraw/zinc/77/20/05/472772005.db2.gz VTPRKMLVDRZSGL-KRWDZBQOSA-N 1 0 346.431 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000091486186 472773468 /nfs/dbraw/zinc/77/34/68/472773468.db2.gz WJVYHJJVXSTMPS-QFBILLFUSA-N 1 0 341.411 2.890 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000047905456 472778570 /nfs/dbraw/zinc/77/85/70/472778570.db2.gz LZWJWUNCUYDXRE-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000047920027 472781265 /nfs/dbraw/zinc/78/12/65/472781265.db2.gz ACEBDFZAMQGLHV-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000063496418 472782741 /nfs/dbraw/zinc/78/27/41/472782741.db2.gz AZUQGBHFVHRXPN-UHFFFAOYSA-N 1 0 337.420 2.836 20 5 EFBDRO CCc1nn(C)c(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000091671719 472792255 /nfs/dbraw/zinc/79/22/55/472792255.db2.gz JFFPXWXWVBCDBK-UHFFFAOYSA-N 1 0 349.479 2.983 20 5 EFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105873925 472794212 /nfs/dbraw/zinc/79/42/12/472794212.db2.gz ZNHHKZHYCJUJMW-TZMCWYRMSA-N 1 0 329.404 2.975 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000063710353 472802921 /nfs/dbraw/zinc/80/29/21/472802921.db2.gz BLGGPFCUOJHJRF-JCVNQNCUSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000121129596 472803791 /nfs/dbraw/zinc/80/37/91/472803791.db2.gz AKJQYBOTMCFGCB-YGRLFVJLSA-N 1 0 325.796 2.660 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063722138 472805637 /nfs/dbraw/zinc/80/56/37/472805637.db2.gz HARLCBZJSIHRJD-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133473556 472807958 /nfs/dbraw/zinc/80/79/58/472807958.db2.gz YZWVRGBGVWHXTP-LBPRGKRZSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133473389 472808310 /nfs/dbraw/zinc/80/83/10/472808310.db2.gz YZWVRGBGVWHXTP-GFCCVEGCSA-N 1 0 337.395 2.974 20 5 EFBDRO CCOc1ccc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000091811323 472810546 /nfs/dbraw/zinc/81/05/46/472810546.db2.gz LZABGWXXPGIUDC-UHFFFAOYSA-N 1 0 342.399 2.979 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000121182938 472812881 /nfs/dbraw/zinc/81/28/81/472812881.db2.gz RUEFPAXZPAVYDM-ZDUSSCGKSA-N 1 0 346.383 2.653 20 5 EFBDRO O=C(C1CC1)N1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000121197898 472814742 /nfs/dbraw/zinc/81/47/42/472814742.db2.gz ZWPSWADHWBQTLX-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO CC[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000157411622 472819058 /nfs/dbraw/zinc/81/90/58/472819058.db2.gz BAWPYBZWCZTHIH-UHFFFAOYSA-N 1 0 332.429 2.856 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000133621911 472823887 /nfs/dbraw/zinc/82/38/87/472823887.db2.gz MGAVJAUVQNGHEB-SNVBAGLBSA-N 1 0 331.214 2.562 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000157565917 472835659 /nfs/dbraw/zinc/83/56/59/472835659.db2.gz USUUKEVUSFZHEE-UHFFFAOYSA-N 1 0 334.401 2.554 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000064310066 472842060 /nfs/dbraw/zinc/84/20/60/472842060.db2.gz XYKDCOFTJURKGQ-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO COCOc1ccc(OC)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000121549525 472869466 /nfs/dbraw/zinc/86/94/66/472869466.db2.gz YPDUPPJXSCRTTO-UHFFFAOYSA-N 1 0 346.383 2.918 20 5 EFBDRO CCC(CC)[N@H+](CCOC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000064806796 472877998 /nfs/dbraw/zinc/87/79/98/472877998.db2.gz LVSSNKGXWQDWPX-UHFFFAOYSA-N 1 0 337.420 2.695 20 5 EFBDRO CCc1cc(NCCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904466 472885034 /nfs/dbraw/zinc/88/50/34/472885034.db2.gz PVGZUQNJMMKLCZ-UHFFFAOYSA-N 1 0 329.404 2.978 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000079553995 472886084 /nfs/dbraw/zinc/88/60/84/472886084.db2.gz WVHFTCFDAAJSHB-ZFWWWQNUSA-N 1 0 342.399 2.706 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000064931365 472886462 /nfs/dbraw/zinc/88/64/62/472886462.db2.gz GUBXORUFDVORKT-UHFFFAOYSA-N 1 0 347.337 2.686 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000134427761 472908041 /nfs/dbraw/zinc/90/80/41/472908041.db2.gz TWLNKWUSEOQLPF-ZDUSSCGKSA-N 1 0 343.811 2.526 20 5 EFBDRO O=C(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000121802459 472918253 /nfs/dbraw/zinc/91/82/53/472918253.db2.gz JNSUBWFWFFIIHV-LBPRGKRZSA-N 1 0 334.401 2.590 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134508362 472920516 /nfs/dbraw/zinc/92/05/16/472920516.db2.gz ULLMOCKYBBFASS-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000121817610 472921542 /nfs/dbraw/zinc/92/15/42/472921542.db2.gz MZUSLBCLPAXMJZ-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000079798260 472924317 /nfs/dbraw/zinc/92/43/17/472924317.db2.gz PHMDDYQFPVRAMN-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000121841674 472927648 /nfs/dbraw/zinc/92/76/48/472927648.db2.gz PKLIWKHQQAJDEI-GJZGRUSLSA-N 1 0 348.403 2.753 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000079914678 472941367 /nfs/dbraw/zinc/94/13/67/472941367.db2.gz SGWOASITEXCXOV-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000092630421 472947792 /nfs/dbraw/zinc/94/77/92/472947792.db2.gz SAOVSFSBFVGWNN-IAGOWNOFSA-N 1 0 346.475 2.898 20 5 EFBDRO Cc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000092630418 472947939 /nfs/dbraw/zinc/94/79/39/472947939.db2.gz SAOVSFSBFVGWNN-CALCHBBNSA-N 1 0 346.475 2.898 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1Cc1ccccc1 ZINC000134864420 472978495 /nfs/dbraw/zinc/97/84/95/472978495.db2.gz ACALHTFHQDEVBL-GXTWGEPZSA-N 1 0 329.356 2.581 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000080146208 472983889 /nfs/dbraw/zinc/98/38/89/472983889.db2.gz YLXZCGSTHQKMLV-OAHLLOKOSA-N 1 0 346.431 2.613 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000074322081 472987700 /nfs/dbraw/zinc/98/77/00/472987700.db2.gz LOTGWLPWVLDURQ-FDMDGMSGSA-N 1 0 343.427 2.798 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134931175 472994490 /nfs/dbraw/zinc/99/44/90/472994490.db2.gz NOTZGVQBOPUDIA-RHSMWYFYSA-N 1 0 339.395 2.988 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134965534 473000180 /nfs/dbraw/zinc/00/01/80/473000180.db2.gz ZHMWIUPDUBUVBH-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO COC1CC[NH+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000080249925 473002796 /nfs/dbraw/zinc/00/27/96/473002796.db2.gz IZYIBIPQNBHEQH-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122479797 473019438 /nfs/dbraw/zinc/01/94/38/473019438.db2.gz MZIRJUMENQUGTL-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065910801 473026705 /nfs/dbraw/zinc/02/67/05/473026705.db2.gz ZDWGAVXJQHFYIA-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO Cc1c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051160097 473029632 /nfs/dbraw/zinc/02/96/32/473029632.db2.gz FYVBDPUOVBDLFE-UHFFFAOYSA-N 1 0 331.416 2.738 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093105749 473042470 /nfs/dbraw/zinc/04/24/70/473042470.db2.gz YPZZLUDKADYQFI-AWEZNQCLSA-N 1 0 344.415 2.590 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000122662010 473042771 /nfs/dbraw/zinc/04/27/71/473042771.db2.gz UYMOSJHDBBZQPQ-INIZCTEOSA-N 1 0 343.383 2.907 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@H](CCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093105746 473044083 /nfs/dbraw/zinc/04/40/83/473044083.db2.gz YPZZLUDKADYQFI-CQSZACIVSA-N 1 0 344.415 2.590 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051383499 473045320 /nfs/dbraw/zinc/04/53/20/473045320.db2.gz ZUWIKZIIGLTIMG-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO C[N@H+](CCc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051404560 473046494 /nfs/dbraw/zinc/04/64/94/473046494.db2.gz ODNFYJIBVFOEPL-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000122694097 473047786 /nfs/dbraw/zinc/04/77/86/473047786.db2.gz CXFRHADCKQBBGE-INIZCTEOSA-N 1 0 343.383 2.907 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000066127309 473048005 /nfs/dbraw/zinc/04/80/05/473048005.db2.gz KSKCVVIVEPOECM-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000051588859 473057692 /nfs/dbraw/zinc/05/76/92/473057692.db2.gz MIKUWRMGABJNCG-UHFFFAOYSA-N 1 0 330.340 2.834 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000074773448 473062590 /nfs/dbraw/zinc/06/25/90/473062590.db2.gz HVUHZWCNISGGDD-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1nn(C)c(N2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000051993615 473077575 /nfs/dbraw/zinc/07/75/75/473077575.db2.gz YPKZDURPZUZYLA-UHFFFAOYSA-N 1 0 343.431 2.657 20 5 EFBDRO CCOc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000080775334 473083318 /nfs/dbraw/zinc/08/33/18/473083318.db2.gz ZBYIWWRZVSOMGD-OKILXGFUSA-N 1 0 337.420 2.905 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)CCCO)s1 ZINC000093323951 473084155 /nfs/dbraw/zinc/08/41/55/473084155.db2.gz UYUOIDRMJLTRQJ-UHFFFAOYSA-N 1 0 336.413 2.500 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000123083555 473095939 /nfs/dbraw/zinc/09/59/39/473095939.db2.gz VLDMJLLZNFTFMI-OLZOCXBDSA-N 1 0 335.404 2.910 20 5 EFBDRO CC(C)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000093395047 473102179 /nfs/dbraw/zinc/10/21/79/473102179.db2.gz BYPCLEQVBRXTPU-UHFFFAOYSA-N 1 0 349.475 2.997 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135804526 473114001 /nfs/dbraw/zinc/11/40/01/473114001.db2.gz HWWKQIOOIGQNGU-LBPRGKRZSA-N 1 0 349.456 2.921 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534672 473116697 /nfs/dbraw/zinc/11/66/97/473116697.db2.gz QCDUPAQCKKXAIW-CQSZACIVSA-N 1 0 328.372 2.685 20 5 EFBDRO COc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534688 473116714 /nfs/dbraw/zinc/11/67/14/473116714.db2.gz SPZYHDGPDILZJQ-AWEZNQCLSA-N 1 0 328.372 2.685 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000093613325 473125926 /nfs/dbraw/zinc/12/59/26/473125926.db2.gz OMUHAOHWQGJOSU-AAXUHFPESA-N 1 0 346.427 2.860 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664727 473133269 /nfs/dbraw/zinc/13/32/69/473133269.db2.gz RALPDXPAVBRIRJ-QGZVFWFLSA-N 1 0 347.459 2.872 20 5 EFBDRO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000052641299 473135997 /nfs/dbraw/zinc/13/59/97/473135997.db2.gz GXQWYJTVVVLVHV-OLZOCXBDSA-N 1 0 337.445 2.676 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000136159115 473139489 /nfs/dbraw/zinc/13/94/89/473139489.db2.gz HCNZZNCYLCKCRY-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO C[C@@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000136299313 473149949 /nfs/dbraw/zinc/14/99/49/473149949.db2.gz OWKXJLMCOXVGAS-JBBXEZCESA-N 1 0 348.374 2.522 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093819957 473150447 /nfs/dbraw/zinc/15/04/47/473150447.db2.gz ATQLDTIOSMGHRX-GOSISDBHSA-N 1 0 342.399 2.608 20 5 EFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093899097 473158624 /nfs/dbraw/zinc/15/86/24/473158624.db2.gz GYQXSXMNIHTPLX-LBPRGKRZSA-N 1 0 331.372 2.669 20 5 EFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093898696 473159048 /nfs/dbraw/zinc/15/90/48/473159048.db2.gz PLTYPKXIHWEJBU-NSHDSACASA-N 1 0 348.428 2.532 20 5 EFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093899098 473159230 /nfs/dbraw/zinc/15/92/30/473159230.db2.gz GYQXSXMNIHTPLX-GFCCVEGCSA-N 1 0 331.372 2.669 20 5 EFBDRO Cc1c(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000123589245 473161153 /nfs/dbraw/zinc/16/11/53/473161153.db2.gz XKBXPVAZRRSTRI-INIZCTEOSA-N 1 0 335.448 2.928 20 5 EFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052950259 473167736 /nfs/dbraw/zinc/16/77/36/473167736.db2.gz UKRPVUDBCRITBN-UHFFFAOYSA-N 1 0 334.420 2.842 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123669479 473171743 /nfs/dbraw/zinc/17/17/43/473171743.db2.gz IWAOQBQWZAYJPA-IVDJAJHCSA-N 1 0 330.306 2.996 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793673 473176071 /nfs/dbraw/zinc/17/60/71/473176071.db2.gz BXCAYPICKAGURO-SECBINFHSA-N 1 0 329.198 2.554 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000094150979 473180545 /nfs/dbraw/zinc/18/05/45/473180545.db2.gz WMNYIXNZBYVJQN-HNNXBMFYSA-N 1 0 331.420 2.914 20 5 EFBDRO CCc1nn(C)c(N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000094160219 473183145 /nfs/dbraw/zinc/18/31/45/473183145.db2.gz UECRCPAEWDRSTK-UHFFFAOYSA-N 1 0 335.452 2.591 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000160850421 473183994 /nfs/dbraw/zinc/18/39/94/473183994.db2.gz CUNXJTDVMZKSLQ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000075469742 473189631 /nfs/dbraw/zinc/18/96/31/473189631.db2.gz LVQWMDHPOLXETB-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000123847713 473192301 /nfs/dbraw/zinc/19/23/01/473192301.db2.gz FMDJKFFOBQAXHD-LBPRGKRZSA-N 1 0 347.419 2.711 20 5 EFBDRO Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000095432398 473203094 /nfs/dbraw/zinc/20/30/94/473203094.db2.gz XHDINHNAQTXLHM-UHFFFAOYSA-N 1 0 343.387 2.538 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124007041 473204661 /nfs/dbraw/zinc/20/46/61/473204661.db2.gz LKEAUYNHLJFTOJ-LBPRGKRZSA-N 1 0 345.321 2.828 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000162900725 473394444 /nfs/dbraw/zinc/39/44/44/473394444.db2.gz CITSPDSSDJEFNN-JTQLQIEISA-N 1 0 333.310 2.861 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125446437 473410608 /nfs/dbraw/zinc/41/06/08/473410608.db2.gz QQVGLHMLDOWVIC-FUHWJXTLSA-N 1 0 343.383 2.567 20 5 EFBDRO CSc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000171575809 473413334 /nfs/dbraw/zinc/41/33/34/473413334.db2.gz RHMFREUUZBBELP-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000185410390 473420332 /nfs/dbraw/zinc/42/03/32/473420332.db2.gz VKXDDXILFUTQLE-DOTOQJQBSA-N 1 0 333.432 2.716 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000163379312 473439003 /nfs/dbraw/zinc/43/90/03/473439003.db2.gz MFHTZVYYXHGOKB-AWEZNQCLSA-N 1 0 333.432 2.682 20 5 EFBDRO CC(C)[NH2+]C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000171692750 473439111 /nfs/dbraw/zinc/43/91/11/473439111.db2.gz DEUSERDDUUEREU-UHFFFAOYSA-N 1 0 345.403 2.607 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185503847 473444340 /nfs/dbraw/zinc/44/43/40/473444340.db2.gz GKGYCCGZLQAHKT-UHFFFAOYSA-N 1 0 342.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000171713667 473446058 /nfs/dbraw/zinc/44/60/58/473446058.db2.gz JMXDRFSDOQPCSR-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185523612 473449525 /nfs/dbraw/zinc/44/95/25/473449525.db2.gz ZXQBXPPXXKDTSZ-AHIWAGSCSA-N 1 0 349.406 2.780 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177923811 473450700 /nfs/dbraw/zinc/45/07/00/473450700.db2.gz RUZBNMLMRKYMLN-JZXOWHBKSA-N 1 0 345.443 2.780 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163541930 473453261 /nfs/dbraw/zinc/45/32/61/473453261.db2.gz ZMNPGJAKJNHWOS-LBPRGKRZSA-N 1 0 325.434 2.754 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185579584 473460497 /nfs/dbraw/zinc/46/04/97/473460497.db2.gz CLUPDLBBHZTMRN-GXTWGEPZSA-N 1 0 341.367 2.688 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000151511966 473467044 /nfs/dbraw/zinc/46/70/44/473467044.db2.gz RMRNAOADQHEFMH-UKRRQHHQSA-N 1 0 332.404 2.851 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000178180315 473472937 /nfs/dbraw/zinc/47/29/37/473472937.db2.gz ODCKGSADDHECAC-MRXNPFEDSA-N 1 0 342.399 2.518 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1CO ZINC000191177234 473498365 /nfs/dbraw/zinc/49/83/65/473498365.db2.gz ZQGDABJQHRZPBA-XHDPSFHLSA-N 1 0 333.413 2.921 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000164867234 473499926 /nfs/dbraw/zinc/49/99/26/473499926.db2.gz YGQRHPDBOPBHLI-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)n1 ZINC000178396464 473504258 /nfs/dbraw/zinc/50/42/58/473504258.db2.gz BSWSPHIDDYRHSJ-KRWDZBQOSA-N 1 0 344.415 2.553 20 5 EFBDRO C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000126372021 473511842 /nfs/dbraw/zinc/51/18/42/473511842.db2.gz YUYDAUWNXVCJMJ-HVMMPBATSA-N 1 0 340.383 2.914 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178444553 473514886 /nfs/dbraw/zinc/51/48/86/473514886.db2.gz QYCGHACOKDSCMK-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO Cc1c(Br)c(NCC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000165749655 473514903 /nfs/dbraw/zinc/51/49/03/473514903.db2.gz QMXOVXKRSAJYHS-UHFFFAOYSA-N 1 0 343.225 2.814 20 5 EFBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000172070367 473514984 /nfs/dbraw/zinc/51/49/84/473514984.db2.gz CRFGHMPVLIYVIY-KRWDZBQOSA-N 1 0 334.372 2.732 20 5 EFBDRO Cc1c(Br)c(N2CCC([C@H](C)[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000165820989 473516747 /nfs/dbraw/zinc/51/67/47/473516747.db2.gz IVLYIQYUHBJRPT-VIFPVBQESA-N 1 0 343.225 2.624 20 5 EFBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185803443 473518345 /nfs/dbraw/zinc/51/83/45/473518345.db2.gz DDBITBYMBSLTAZ-MRXNPFEDSA-N 1 0 327.384 2.593 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000165932659 473518981 /nfs/dbraw/zinc/51/89/81/473518981.db2.gz WLFXOVLAAMMRRM-UHFFFAOYSA-N 1 0 339.395 2.941 20 5 EFBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000178534368 473528063 /nfs/dbraw/zinc/52/80/63/473528063.db2.gz ZSTQONRPRQGQLL-CYBMUJFWSA-N 1 0 341.367 2.808 20 5 EFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000178534376 473528430 /nfs/dbraw/zinc/52/84/30/473528430.db2.gz ZSTQONRPRQGQLL-ZDUSSCGKSA-N 1 0 341.367 2.808 20 5 EFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000191367939 473531813 /nfs/dbraw/zinc/53/18/13/473531813.db2.gz FQGPIRACYQOHAT-HOTGVXAUSA-N 1 0 349.431 2.741 20 5 EFBDRO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172138960 473531837 /nfs/dbraw/zinc/53/18/37/473531837.db2.gz SPVKVKBZWPYKQF-ZIAGYGMSSA-N 1 0 334.420 2.639 20 5 EFBDRO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172138968 473532365 /nfs/dbraw/zinc/53/23/65/473532365.db2.gz SPVKVKBZWPYKQF-KGLIPLIRSA-N 1 0 334.420 2.639 20 5 EFBDRO CCOC(=O)CCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172173428 473541913 /nfs/dbraw/zinc/54/19/13/473541913.db2.gz KEANSLSTCKIRFC-UHFFFAOYSA-N 1 0 349.431 2.840 20 5 EFBDRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658509 473542815 /nfs/dbraw/zinc/54/28/15/473542815.db2.gz RQRDDQPOTIDWEL-ZOODHJKOSA-N 1 0 326.418 2.601 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000178724407 473549066 /nfs/dbraw/zinc/54/90/66/473549066.db2.gz AGLJBLUMEZDVIC-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126994859 473567019 /nfs/dbraw/zinc/56/70/19/473567019.db2.gz DFFSJZBNGYBNAQ-MVGZEHJDSA-N 1 0 329.400 2.552 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152473665 473567500 /nfs/dbraw/zinc/56/75/00/473567500.db2.gz HFBXCNAFWBJHAC-UHFFFAOYSA-N 1 0 342.399 2.557 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000115438128 473567722 /nfs/dbraw/zinc/56/77/22/473567722.db2.gz FQHKCFUCIGHCSK-CYBMUJFWSA-N 1 0 346.431 2.583 20 5 EFBDRO COc1ccc(NC(=O)C[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115562559 473581769 /nfs/dbraw/zinc/58/17/69/473581769.db2.gz NFPIMOWNIGZWQU-UHFFFAOYSA-N 1 0 333.388 2.664 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000178882013 473583022 /nfs/dbraw/zinc/58/30/22/473583022.db2.gz PGLVIWMLXDNBHO-INIZCTEOSA-N 1 0 348.447 2.762 20 5 EFBDRO COC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000152969387 473602846 /nfs/dbraw/zinc/60/28/46/473602846.db2.gz ABGDJWFOBSBFOY-INIZCTEOSA-N 1 0 347.415 2.736 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172417477 473605076 /nfs/dbraw/zinc/60/50/76/473605076.db2.gz LGZYQEYNAMAYHS-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178992327 473606348 /nfs/dbraw/zinc/60/63/48/473606348.db2.gz KKBRCYSWEORXEI-FZMZJTMJSA-N 1 0 335.429 2.745 20 5 EFBDRO COc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172420273 473606573 /nfs/dbraw/zinc/60/65/73/473606573.db2.gz QPGRPFYJMFEWKD-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192043587 473614185 /nfs/dbraw/zinc/61/41/85/473614185.db2.gz OXNJEBQKGQDMGL-LSDHHAIUSA-N 1 0 336.779 2.565 20 5 EFBDRO C[C@@H]1C[N@@H+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153555762 473629573 /nfs/dbraw/zinc/62/95/73/473629573.db2.gz VAWHSJJFHOQYQG-PHIMTYICSA-N 1 0 328.800 2.554 20 5 EFBDRO CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153593332 473631426 /nfs/dbraw/zinc/63/14/26/473631426.db2.gz PQUWCNDQQQOETP-CFNZNRNTSA-N 1 0 337.807 2.814 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153608602 473632821 /nfs/dbraw/zinc/63/28/21/473632821.db2.gz ZXHJRPTUGRGQQW-WCQYABFASA-N 1 0 335.429 2.745 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153648017 473634857 /nfs/dbraw/zinc/63/48/57/473634857.db2.gz JQFIRCNUGPTDBS-QAPCUYQASA-N 1 0 343.427 2.613 20 5 EFBDRO O=C1NCCCC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179135304 473636214 /nfs/dbraw/zinc/63/62/14/473636214.db2.gz AFMPDOXRPCBIIA-VNQPRFMTSA-N 1 0 331.416 2.564 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000153699928 473637108 /nfs/dbraw/zinc/63/71/08/473637108.db2.gz FYKZXVDSCPUNJC-CZUORRHYSA-N 1 0 332.404 2.851 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000153693593 473637742 /nfs/dbraw/zinc/63/77/42/473637742.db2.gz YOXPPMKWZMMNPC-CQSZACIVSA-N 1 0 332.404 2.853 20 5 EFBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179141254 473637860 /nfs/dbraw/zinc/63/78/60/473637860.db2.gz ITQBBZNBRXWVNV-KYJSFNMBSA-N 1 0 336.432 2.683 20 5 EFBDRO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000153726494 473638911 /nfs/dbraw/zinc/63/89/11/473638911.db2.gz XGAQJSCUBVTFMF-KSSFIOAISA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153715310 473639317 /nfs/dbraw/zinc/63/93/17/473639317.db2.gz RKBMISCQMCRNEN-WMLDXEAASA-N 1 0 329.400 2.684 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172582485 473649314 /nfs/dbraw/zinc/64/93/14/473649314.db2.gz BZIOUZFSCBAHTP-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000153916555 473650973 /nfs/dbraw/zinc/65/09/73/473650973.db2.gz FWLDGPTZCDFKEK-SNVBAGLBSA-N 1 0 334.825 2.503 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170977491 473659554 /nfs/dbraw/zinc/65/95/54/473659554.db2.gz GFDHAQGKFRFEGN-NSHDSACASA-N 1 0 333.413 2.881 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000154053052 473664313 /nfs/dbraw/zinc/66/43/13/473664313.db2.gz NEEKCTVABODOJU-QGZVFWFLSA-N 1 0 346.431 2.581 20 5 EFBDRO Cc1nn(C)c(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186413694 473670677 /nfs/dbraw/zinc/67/06/77/473670677.db2.gz BQEKWLYYEHBKGQ-INIZCTEOSA-N 1 0 343.431 2.959 20 5 EFBDRO CSc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000192472984 473683887 /nfs/dbraw/zinc/68/38/87/473683887.db2.gz DEBGNVAJLCJKEZ-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO CNC(=O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179409907 473685593 /nfs/dbraw/zinc/68/55/93/473685593.db2.gz LQOSAZBIISLRSW-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000172823494 473689358 /nfs/dbraw/zinc/68/93/58/473689358.db2.gz NHWSHHSHJQNNDW-OAHLLOKOSA-N 1 0 347.419 2.843 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000172833919 473690921 /nfs/dbraw/zinc/69/09/21/473690921.db2.gz VCWICIADENYOSC-SCOAYWHSSA-N 1 0 331.416 2.941 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000179553921 473694291 /nfs/dbraw/zinc/69/42/91/473694291.db2.gz ZFKMJWUKANPEMC-UHFFFAOYSA-N 1 0 342.399 2.557 20 5 EFBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192603160 473696012 /nfs/dbraw/zinc/69/60/12/473696012.db2.gz MMSYTRVTSFOCPB-KRWDZBQOSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@H](C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000186597644 473697208 /nfs/dbraw/zinc/69/72/08/473697208.db2.gz DQHFOQAQVCWNKQ-QAPCUYQASA-N 1 0 346.431 2.668 20 5 EFBDRO CC[C@@H](C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000186597625 473697387 /nfs/dbraw/zinc/69/73/87/473697387.db2.gz DQHFOQAQVCWNKQ-YJBOKZPZSA-N 1 0 346.431 2.668 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000287604450 473710695 /nfs/dbraw/zinc/71/06/95/473710695.db2.gz ZIETVXIIBOOYQX-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](OCc3ccncc3)C2)c(F)c1 ZINC000287624831 473715957 /nfs/dbraw/zinc/71/59/57/473715957.db2.gz FJLFDCXWSZXKCT-INIZCTEOSA-N 1 0 331.347 2.920 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179743069 473717533 /nfs/dbraw/zinc/71/75/33/473717533.db2.gz YRGIIGBAKRKLAM-ZWKOTPCHSA-N 1 0 330.384 2.732 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173004040 473723076 /nfs/dbraw/zinc/72/30/76/473723076.db2.gz ZVTGPGAUZHADQI-QGZVFWFLSA-N 1 0 339.395 2.657 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000269186672 473723815 /nfs/dbraw/zinc/72/38/15/473723815.db2.gz GCWKMWFAVQLYQL-GWCFXTLKSA-N 1 0 346.412 2.528 20 5 EFBDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000192794387 473726032 /nfs/dbraw/zinc/72/60/32/473726032.db2.gz WNFNJLRODLFNEV-UHFFFAOYSA-N 1 0 343.427 2.960 20 5 EFBDRO CN(C)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192863848 473738993 /nfs/dbraw/zinc/73/89/93/473738993.db2.gz LJCWCVKLUIGWCH-QGZVFWFLSA-N 1 0 333.432 2.673 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCSC ZINC000281503847 473744420 /nfs/dbraw/zinc/74/44/20/473744420.db2.gz UOGMAZDNWMEJHH-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281509773 473745337 /nfs/dbraw/zinc/74/53/37/473745337.db2.gz YQMCKDSNIYQXJG-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173114487 473748122 /nfs/dbraw/zinc/74/81/22/473748122.db2.gz DMNBDOYYLHSFDI-INIZCTEOSA-N 1 0 331.416 2.614 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186768393 473752555 /nfs/dbraw/zinc/75/25/55/473752555.db2.gz ZPDPUKKZZNMEGS-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281567471 473767869 /nfs/dbraw/zinc/76/78/69/473767869.db2.gz AKJJZULQXCNEAC-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000173197300 473769512 /nfs/dbraw/zinc/76/95/12/473769512.db2.gz SAEQNIFRQJFEBZ-RDTXWAMCSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000173197328 473769534 /nfs/dbraw/zinc/76/95/34/473769534.db2.gz SAEQNIFRQJFEBZ-KDOFPFPSSA-N 1 0 333.432 2.764 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000287830459 473772275 /nfs/dbraw/zinc/77/22/75/473772275.db2.gz QVHNEFWCJHLZRF-ZDUSSCGKSA-N 1 0 335.404 2.610 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000287830456 473772489 /nfs/dbraw/zinc/77/24/89/473772489.db2.gz QVHNEFWCJHLZRF-CYBMUJFWSA-N 1 0 335.404 2.610 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186900953 473778711 /nfs/dbraw/zinc/77/87/11/473778711.db2.gz CCAPHRCXSXSAMN-UHFFFAOYSA-N 1 0 344.371 2.790 20 5 EFBDRO C[N@@H+]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000269352925 473783472 /nfs/dbraw/zinc/78/34/72/473783472.db2.gz LADFFAHPDWGATD-UHFFFAOYSA-N 1 0 332.429 2.856 20 5 EFBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180065067 473789231 /nfs/dbraw/zinc/78/92/31/473789231.db2.gz QOYOCSUOMGHWSS-ZDUSSCGKSA-N 1 0 343.383 2.942 20 5 EFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193573726 473793832 /nfs/dbraw/zinc/79/38/32/473793832.db2.gz APHLWTKZRMCPSM-ZWNOBZJWSA-N 1 0 346.412 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2nonc21 ZINC000269417025 473805256 /nfs/dbraw/zinc/80/52/56/473805256.db2.gz KTQFOBHTBHWQTJ-WCQYABFASA-N 1 0 343.387 2.584 20 5 EFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173339432 473809664 /nfs/dbraw/zinc/80/96/64/473809664.db2.gz ASIHXSSQQLUQHD-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246265523 473810750 /nfs/dbraw/zinc/81/07/50/473810750.db2.gz VFNNZCDCOITMMT-ZIAGYGMSSA-N 1 0 335.404 2.589 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000274408758 473812015 /nfs/dbraw/zinc/81/20/15/473812015.db2.gz BRMLGBJYQCADHA-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246287726 473817512 /nfs/dbraw/zinc/81/75/12/473817512.db2.gz BLEWYGBFFYMVTR-WMLDXEAASA-N 1 0 342.395 2.954 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000274429912 473819316 /nfs/dbraw/zinc/81/93/16/473819316.db2.gz FSTXZLJAZUNVSU-CYBMUJFWSA-N 1 0 339.823 2.780 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288014211 473825242 /nfs/dbraw/zinc/82/52/42/473825242.db2.gz RLLQMAPHTWDDNA-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000180209024 473829128 /nfs/dbraw/zinc/82/91/28/473829128.db2.gz STCWCNJDLCNNAU-UHFFFAOYSA-N 1 0 346.412 2.698 20 5 EFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173426430 473834778 /nfs/dbraw/zinc/83/47/78/473834778.db2.gz UKYMBBWIBAZPFL-KPZWWZAWSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173442298 473840070 /nfs/dbraw/zinc/84/00/70/473840070.db2.gz QVDMOOIKIKZIJQ-NUYPLMSZSA-N 1 0 326.418 2.601 20 5 EFBDRO CC[NH+]1CCN(C[C@@H](C)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269676599 473857139 /nfs/dbraw/zinc/85/71/39/473857139.db2.gz YYSGYHLYUWUXMP-LBPRGKRZSA-N 1 0 342.390 2.559 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000269677432 473857428 /nfs/dbraw/zinc/85/74/28/473857428.db2.gz CWTKPCNIWYYLQM-CYBMUJFWSA-N 1 0 332.404 2.536 20 5 EFBDRO Cc1nc2sccn2c1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686262 473859592 /nfs/dbraw/zinc/85/95/92/473859592.db2.gz ZYCYUIUESXTUIM-HNNXBMFYSA-N 1 0 346.412 2.778 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000269684510 473860427 /nfs/dbraw/zinc/86/04/27/473860427.db2.gz NKESBRMIDWUFBO-HNNXBMFYSA-N 1 0 347.415 2.627 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000194226210 473863349 /nfs/dbraw/zinc/86/33/49/473863349.db2.gz TWYVXMWGMNQSPH-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NC1CC1 ZINC000263822778 473863687 /nfs/dbraw/zinc/86/36/87/473863687.db2.gz QNTNQXXXNFGBET-UHFFFAOYSA-N 1 0 331.397 2.692 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000269702156 473868294 /nfs/dbraw/zinc/86/82/94/473868294.db2.gz MFNRZHOIVZBANB-INIZCTEOSA-N 1 0 331.416 2.533 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180411182 473870670 /nfs/dbraw/zinc/87/06/70/473870670.db2.gz UGOQNHNKRKVVLN-NSHDSACASA-N 1 0 346.362 2.996 20 5 EFBDRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427987 473875462 /nfs/dbraw/zinc/87/54/62/473875462.db2.gz MNPOEDCYQKQUAO-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000281925309 473886819 /nfs/dbraw/zinc/88/68/19/473886819.db2.gz KDABKCFNLBGWSU-UHFFFAOYSA-N 1 0 348.403 2.553 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])s2)cc1 ZINC000281935593 473889658 /nfs/dbraw/zinc/88/96/58/473889658.db2.gz PAXKRYAWXSJLJY-UHFFFAOYSA-N 1 0 336.417 2.646 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288264786 473891336 /nfs/dbraw/zinc/89/13/36/473891336.db2.gz GQROWFNNBQNNEX-KGLIPLIRSA-N 1 0 347.415 2.692 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000288264393 473892283 /nfs/dbraw/zinc/89/22/83/473892283.db2.gz YTYPMENEICESQP-HNNXBMFYSA-N 1 0 347.419 2.843 20 5 EFBDRO COc1ccc(OCCN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000173621177 473893700 /nfs/dbraw/zinc/89/37/00/473893700.db2.gz YWHZCAFYVHRJAE-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000194454640 473900755 /nfs/dbraw/zinc/90/07/55/473900755.db2.gz JDEPWZCIOUZRCK-LSDHHAIUSA-N 1 0 335.360 2.940 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000263923026 473906692 /nfs/dbraw/zinc/90/66/92/473906692.db2.gz WEDDTZHJBLVRNU-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274677926 473917171 /nfs/dbraw/zinc/91/71/71/473917171.db2.gz MZZDNNIABVWOKX-GJZGRUSLSA-N 1 0 325.409 2.750 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000269934068 473923673 /nfs/dbraw/zinc/92/36/73/473923673.db2.gz NRUQSHUOWVFTEN-LVJUENIKSA-N 1 0 342.395 2.682 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000282063997 473935357 /nfs/dbraw/zinc/93/53/57/473935357.db2.gz WGVYQVUEEWASOV-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173844600 473941611 /nfs/dbraw/zinc/94/16/11/473941611.db2.gz ZXHJZNUBVHOSGD-INIZCTEOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000180720624 473950425 /nfs/dbraw/zinc/95/04/25/473950425.db2.gz FTZDJGWJFLSVRM-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000282121201 473952794 /nfs/dbraw/zinc/95/27/94/473952794.db2.gz JLWIXUJBZFQBPH-CVEARBPZSA-N 1 0 333.432 2.700 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000282130960 473955556 /nfs/dbraw/zinc/95/55/56/473955556.db2.gz KDAYITYLYVDKCE-CVEARBPZSA-N 1 0 333.432 2.700 20 5 EFBDRO Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000173913945 473957362 /nfs/dbraw/zinc/95/73/62/473957362.db2.gz YVGZVUPPYCQXFG-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180770106 473961243 /nfs/dbraw/zinc/96/12/43/473961243.db2.gz RNIHXZKWUKDICS-CYBMUJFWSA-N 1 0 348.447 2.807 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000188061392 473968423 /nfs/dbraw/zinc/96/84/23/473968423.db2.gz NULPWHIMYVIVRB-UHFFFAOYSA-N 1 0 340.399 2.510 20 5 EFBDRO COCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000270060358 473972404 /nfs/dbraw/zinc/97/24/04/473972404.db2.gz WZHXAYYNKLAMOK-NJAFHUGGSA-N 1 0 347.459 2.616 20 5 EFBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174027927 473975345 /nfs/dbraw/zinc/97/53/45/473975345.db2.gz IIGYQPVGJSUSMA-GFCCVEGCSA-N 1 0 325.434 2.997 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000174026716 473975481 /nfs/dbraw/zinc/97/54/81/473975481.db2.gz YFWARQORUVKQJP-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000194936162 473978572 /nfs/dbraw/zinc/97/85/72/473978572.db2.gz IEFPJUXKGJMDLH-GDBMZVCRSA-N 1 0 343.427 2.992 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000288552193 473978429 /nfs/dbraw/zinc/97/84/29/473978429.db2.gz YZHKGFDUFLJQPR-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270079252 473981574 /nfs/dbraw/zinc/98/15/74/473981574.db2.gz IIHCRNGMLHLVEE-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C/C=C/Cl)CC3)nc2c1 ZINC000274844531 473984700 /nfs/dbraw/zinc/98/47/00/473984700.db2.gz PHKHSNDKBFQXTR-ORCRQEGFSA-N 1 0 335.795 2.736 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174100993 473986255 /nfs/dbraw/zinc/98/62/55/473986255.db2.gz HZBJAQGIFHMORW-LBPRGKRZSA-N 1 0 328.796 2.733 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288582855 473988872 /nfs/dbraw/zinc/98/88/72/473988872.db2.gz XNUFRDUVDSQIQN-NWDGAFQWSA-N 1 0 337.807 2.947 20 5 EFBDRO CC(C)Oc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000288591479 473992925 /nfs/dbraw/zinc/99/29/25/473992925.db2.gz SKSAIFWRSQKXDG-OAHLLOKOSA-N 1 0 347.419 2.830 20 5 EFBDRO C[N@H+](CCc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174154685 473996533 /nfs/dbraw/zinc/99/65/33/473996533.db2.gz VGSFTUOSKUCCOG-AWEZNQCLSA-N 1 0 336.413 2.571 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188153347 474002694 /nfs/dbraw/zinc/00/26/94/474002694.db2.gz LJCJGECVGBIHTN-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000246925353 474005772 /nfs/dbraw/zinc/00/57/72/474005772.db2.gz JGGMGLDCJAQDRF-MTQIJDFFSA-N 1 0 329.400 2.693 20 5 EFBDRO C[N@H+](CCCn1ccnc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181103545 474006101 /nfs/dbraw/zinc/00/61/01/474006101.db2.gz VNHQEXOSSSJOHA-UHFFFAOYSA-N 1 0 341.371 2.968 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000174210403 474007099 /nfs/dbraw/zinc/00/70/99/474007099.db2.gz JSHSGLWAPPMPMS-UHFFFAOYSA-N 1 0 336.436 2.903 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188179933 474010588 /nfs/dbraw/zinc/01/05/88/474010588.db2.gz OWNACWZKSZMYHG-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188180312 474011190 /nfs/dbraw/zinc/01/11/90/474011190.db2.gz AGEPSKOHKXJWDF-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282330049 474024069 /nfs/dbraw/zinc/02/40/69/474024069.db2.gz FSFSYBIOOHRRDK-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000288727871 474033855 /nfs/dbraw/zinc/03/38/55/474033855.db2.gz GKOSFGXEONYZQB-GOSISDBHSA-N 1 0 349.431 2.716 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270224397 474035058 /nfs/dbraw/zinc/03/50/58/474035058.db2.gz NDHMEVJIKVRODV-KRWDZBQOSA-N 1 0 345.443 2.718 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181501776 474040096 /nfs/dbraw/zinc/04/00/96/474040096.db2.gz OBSIPPBYPPUYDR-ZFWWWQNUSA-N 1 0 331.416 2.978 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181521451 474043454 /nfs/dbraw/zinc/04/34/54/474043454.db2.gz ZBKLBQYEPQBYRD-GFCCVEGCSA-N 1 0 329.356 2.980 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559603 474048740 /nfs/dbraw/zinc/04/87/40/474048740.db2.gz WSXRQLPIPHFBNS-SJKOYZFVSA-N 1 0 341.367 2.757 20 5 EFBDRO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195347212 474062824 /nfs/dbraw/zinc/06/28/24/474062824.db2.gz XASBUZPIFDAKEZ-GFCCVEGCSA-N 1 0 329.400 2.747 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181885712 474068082 /nfs/dbraw/zinc/06/80/82/474068082.db2.gz OBPCCAWQBJOGRB-ZDUSSCGKSA-N 1 0 335.404 2.685 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000264643765 474072172 /nfs/dbraw/zinc/07/21/72/474072172.db2.gz BVZNCVVMFIBPEH-UHFFFAOYSA-N 1 0 346.431 2.576 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCOC1 ZINC000247147665 474075090 /nfs/dbraw/zinc/07/50/90/474075090.db2.gz UCNIGMZVYJKQCS-VXGBXAGGSA-N 1 0 332.360 2.674 20 5 EFBDRO CN(C)C(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282497295 474086892 /nfs/dbraw/zinc/08/68/92/474086892.db2.gz QNTDUGMINWUQDA-UHFFFAOYSA-N 1 0 341.411 2.971 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275164904 474090623 /nfs/dbraw/zinc/09/06/23/474090623.db2.gz VKRHCKJJMKJKEF-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO CCC[C@]1(CO)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288949919 474101399 /nfs/dbraw/zinc/10/13/99/474101399.db2.gz XKYSFXGLWXLXBH-KDOFPFPSSA-N 1 0 349.431 2.715 20 5 EFBDRO COc1ccnc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1OC ZINC000282538616 474103136 /nfs/dbraw/zinc/10/31/36/474103136.db2.gz VTEUMBCFFTUGFW-UHFFFAOYSA-N 1 0 331.372 2.682 20 5 EFBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000198152736 474104545 /nfs/dbraw/zinc/10/45/45/474104545.db2.gz UCQZDCMMGODECQ-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1[NH+](C)C ZINC000270399456 474105183 /nfs/dbraw/zinc/10/51/83/474105183.db2.gz UZVQLSFOQYKCME-CVEARBPZSA-N 1 0 332.429 2.625 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247280609 474108520 /nfs/dbraw/zinc/10/85/20/474108520.db2.gz FXLCLCRVSGIPDT-OMAIJTBJSA-N 1 0 331.416 2.797 20 5 EFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275241217 474116234 /nfs/dbraw/zinc/11/62/34/474116234.db2.gz OOXKQMHOZATHRK-JKSUJKDBSA-N 1 0 335.404 2.779 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247331551 474121647 /nfs/dbraw/zinc/12/16/47/474121647.db2.gz VBSNZECEUMWDMB-SMDDNHRTSA-N 1 0 337.807 2.805 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275256851 474121784 /nfs/dbraw/zinc/12/17/84/474121784.db2.gz RITNNAMHBWXDCF-KBPBESRZSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000175004640 474130415 /nfs/dbraw/zinc/13/04/15/474130415.db2.gz LEMLGTMEMBIFQU-DZGCQCFKSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000247452310 474150706 /nfs/dbraw/zinc/15/07/06/474150706.db2.gz QHSAYQKWIHJYNJ-IAQYHMDHSA-N 1 0 339.823 2.589 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000182403003 474166975 /nfs/dbraw/zinc/16/69/75/474166975.db2.gz VRFKCLPSKBEWTR-INIZCTEOSA-N 1 0 346.383 2.696 20 5 EFBDRO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000270556530 474168157 /nfs/dbraw/zinc/16/81/57/474168157.db2.gz IVLBIDXHQPYYRL-AWEZNQCLSA-N 1 0 327.384 2.982 20 5 EFBDRO COCCCn1nccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282734917 474174234 /nfs/dbraw/zinc/17/42/34/474174234.db2.gz SVFYUDQQDBMSQM-CQSZACIVSA-N 1 0 332.404 2.987 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247552535 474179733 /nfs/dbraw/zinc/17/97/33/474179733.db2.gz YXSOEODJVIRDTO-GXFFZTMASA-N 1 0 325.796 2.660 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000247672108 474197499 /nfs/dbraw/zinc/19/74/99/474197499.db2.gz QAVBLSXZJNEGCZ-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000282793390 474197644 /nfs/dbraw/zinc/19/76/44/474197644.db2.gz HMGWFIYVHWAMJP-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000247690582 474200039 /nfs/dbraw/zinc/20/00/39/474200039.db2.gz QYFSLOKWZODDBU-IUODEOHRSA-N 1 0 342.399 2.602 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000282842241 474214375 /nfs/dbraw/zinc/21/43/75/474214375.db2.gz SUFLKTFUKSQZLN-RYUDHWBXSA-N 1 0 343.424 2.529 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC[C@H](O)C3)cs2)c1 ZINC000188846952 474214915 /nfs/dbraw/zinc/21/49/15/474214915.db2.gz XAJNOTXOSKWBHV-NHYWBVRUSA-N 1 0 333.413 2.969 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247891870 474221656 /nfs/dbraw/zinc/22/16/56/474221656.db2.gz FMJKHARDVZVGRO-BXUZGUMPSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247955727 474232340 /nfs/dbraw/zinc/23/23/40/474232340.db2.gz FNWNAYQQQKVBGN-IUODEOHRSA-N 1 0 348.403 2.551 20 5 EFBDRO Cn1cc(C[NH2+]CCCCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182692193 474235199 /nfs/dbraw/zinc/23/51/99/474235199.db2.gz XYTIEJUJGHJSCD-UHFFFAOYSA-N 1 0 332.404 2.638 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247964873 474235441 /nfs/dbraw/zinc/23/54/41/474235441.db2.gz GGSFYXLCQVGCIB-UHFFFAOYSA-N 1 0 327.384 2.799 20 5 EFBDRO COCCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188929557 474237836 /nfs/dbraw/zinc/23/78/36/474237836.db2.gz TXVOVFBLZFCKSO-UHFFFAOYSA-N 1 0 334.372 2.686 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247977473 474237969 /nfs/dbraw/zinc/23/79/69/474237969.db2.gz HYPJJPPHYWRIDG-UONOGXRCSA-N 1 0 349.456 2.873 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000182710976 474239720 /nfs/dbraw/zinc/23/97/20/474239720.db2.gz QLPKNAUEVGRJKP-DNJLBHFNSA-N 1 0 349.387 2.676 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000182718324 474240361 /nfs/dbraw/zinc/24/03/61/474240361.db2.gz TVRJGCRGZNOCPV-RYUDHWBXSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000182718308 474240646 /nfs/dbraw/zinc/24/06/46/474240646.db2.gz TVRJGCRGZNOCPV-GTKHYJCHSA-N 1 0 335.404 2.956 20 5 EFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000182715536 474240654 /nfs/dbraw/zinc/24/06/54/474240654.db2.gz RRCRPPFSLSTYRY-CHWSQXEVSA-N 1 0 331.416 2.898 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000182718345 474241145 /nfs/dbraw/zinc/24/11/45/474241145.db2.gz TVRJGCRGZNOCPV-VXGBXAGGSA-N 1 0 335.404 2.956 20 5 EFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182722737 474242022 /nfs/dbraw/zinc/24/20/22/474242022.db2.gz GEMYVWXPWMSMAD-STQMWFEESA-N 1 0 331.416 2.898 20 5 EFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175538830 474245547 /nfs/dbraw/zinc/24/55/47/474245547.db2.gz UWVGAXVGFQELBO-GUYCJALGSA-N 1 0 349.431 2.565 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289395421 474251856 /nfs/dbraw/zinc/25/18/56/474251856.db2.gz RPROIIATEFYSRS-UHFFFAOYSA-N 1 0 334.203 2.860 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231629211 474264187 /nfs/dbraw/zinc/26/41/87/474264187.db2.gz HBYPAZUESGNKTP-VIFPVBQESA-N 1 0 331.214 2.895 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182790625 474256449 /nfs/dbraw/zinc/25/64/49/474256449.db2.gz GXPSBBMWUJAUTP-CABCVRRESA-N 1 0 329.404 2.968 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248122597 474262123 /nfs/dbraw/zinc/26/21/23/474262123.db2.gz NOVJSOUAAHQNEV-SWLSCSKDSA-N 1 0 349.456 2.873 20 5 EFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275660305 474270555 /nfs/dbraw/zinc/27/05/55/474270555.db2.gz LMCQHEJIDNJOMN-ZDUSSCGKSA-N 1 0 335.407 2.775 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850839 474271674 /nfs/dbraw/zinc/27/16/74/474271674.db2.gz HGTUKRJTNSGQBJ-OLZOCXBDSA-N 1 0 346.431 2.560 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236765254 474285870 /nfs/dbraw/zinc/28/58/70/474285870.db2.gz WYPVHYUOQINFST-LLVKDONJSA-N 1 0 325.434 2.709 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236743429 474286151 /nfs/dbraw/zinc/28/61/51/474286151.db2.gz HTAOJBWYEZCXQJ-AWEZNQCLSA-N 1 0 325.434 2.519 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236779644 474286777 /nfs/dbraw/zinc/28/67/77/474286777.db2.gz HSVRQRPMMLXIIY-LLVKDONJSA-N 1 0 325.434 2.709 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000182924990 474288673 /nfs/dbraw/zinc/28/86/73/474288673.db2.gz ZEAOYNJBTRHQQN-GJZGRUSLSA-N 1 0 329.404 2.968 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000182924969 474288879 /nfs/dbraw/zinc/28/88/79/474288879.db2.gz ZEAOYNJBTRHQQN-CABCVRRESA-N 1 0 329.404 2.968 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275722735 474294604 /nfs/dbraw/zinc/29/46/04/474294604.db2.gz IQGNRUUWBHBPPM-UHFFFAOYSA-N 1 0 331.372 2.897 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248373547 474298584 /nfs/dbraw/zinc/29/85/84/474298584.db2.gz JRBJHKFHOJKZIW-WWGRRREGSA-N 1 0 340.445 2.783 20 5 EFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000248375151 474299518 /nfs/dbraw/zinc/29/95/18/474299518.db2.gz VVDBITHFEITYEH-RDJZCZTQSA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275747774 474304101 /nfs/dbraw/zinc/30/41/01/474304101.db2.gz RJWPCTWPHRVSOO-YDHLFZDLSA-N 1 0 329.404 2.785 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000275769988 474311340 /nfs/dbraw/zinc/31/13/40/474311340.db2.gz DHAQMJRNCGSHEZ-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237024497 474323902 /nfs/dbraw/zinc/32/39/02/474323902.db2.gz BNRNBWKKINSNCD-CQSZACIVSA-N 1 0 345.447 2.815 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000248453144 474327945 /nfs/dbraw/zinc/32/79/45/474327945.db2.gz JUUAMNOGLOTGNM-CVEARBPZSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000183116854 474331983 /nfs/dbraw/zinc/33/19/83/474331983.db2.gz PQANIWFSRIPVTM-DOMZBBRYSA-N 1 0 331.372 2.949 20 5 EFBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000283222487 474343829 /nfs/dbraw/zinc/34/38/29/474343829.db2.gz HZZJZTDNBQUHKX-AWEZNQCLSA-N 1 0 349.431 2.939 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000248543597 474351356 /nfs/dbraw/zinc/35/13/56/474351356.db2.gz DBVDDQMJXQPIEP-GRYCIOLGSA-N 1 0 349.387 2.676 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000237189757 474353244 /nfs/dbraw/zinc/35/32/44/474353244.db2.gz FZXUAAMRPTVWHA-STQMWFEESA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248615497 474378029 /nfs/dbraw/zinc/37/80/29/474378029.db2.gz YVIIXTMWADLRPL-QWHCGFSZSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248619915 474381729 /nfs/dbraw/zinc/38/17/29/474381729.db2.gz ZXQBXPPXXKDTSZ-DCGLDWPTSA-N 1 0 349.406 2.780 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916621 474383804 /nfs/dbraw/zinc/38/38/04/474383804.db2.gz ZDVNCUVGLHDLIU-DGCLKSJQSA-N 1 0 346.836 2.694 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000237349733 474387118 /nfs/dbraw/zinc/38/71/18/474387118.db2.gz IMJKMNUIEBEVJT-UHFFFAOYSA-N 1 0 333.432 2.964 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000289722582 474395552 /nfs/dbraw/zinc/39/55/52/474395552.db2.gz LIYAKHBSIFLINE-ZIAGYGMSSA-N 1 0 331.416 2.574 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000183591154 474396085 /nfs/dbraw/zinc/39/60/85/474396085.db2.gz MVKGPRHJJGJEJT-CQSZACIVSA-N 1 0 347.375 2.787 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248662582 474398648 /nfs/dbraw/zinc/39/86/48/474398648.db2.gz HCGQVYVRPQXARF-DZGCQCFKSA-N 1 0 333.436 2.573 20 5 EFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189468042 474407967 /nfs/dbraw/zinc/40/79/67/474407967.db2.gz VGOQTXLVSQYCMG-CHWSQXEVSA-N 1 0 346.431 2.560 20 5 EFBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189489865 474416963 /nfs/dbraw/zinc/41/69/63/474416963.db2.gz UHDNMWHOOTXDLT-ZFWWWQNUSA-N 1 0 337.445 2.848 20 5 EFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189489843 474417466 /nfs/dbraw/zinc/41/74/66/474417466.db2.gz UHDNMWHOOTXDLT-DZGCQCFKSA-N 1 0 337.445 2.848 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000271170378 474418598 /nfs/dbraw/zinc/41/85/98/474418598.db2.gz UCXHQXAIDCLLJT-LBPRGKRZSA-N 1 0 328.434 2.760 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000248760228 474429399 /nfs/dbraw/zinc/42/93/99/474429399.db2.gz GMRJOBWJJPHRHL-RHSMWYFYSA-N 1 0 339.395 2.845 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000276156955 474435967 /nfs/dbraw/zinc/43/59/67/474435967.db2.gz FLLKPEUNPRQVID-UHFFFAOYSA-N 1 0 342.827 2.731 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1OC ZINC000289810627 474438001 /nfs/dbraw/zinc/43/80/01/474438001.db2.gz NNUKFTVNBXWOEZ-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000276166803 474438209 /nfs/dbraw/zinc/43/82/09/474438209.db2.gz RNPZPQKPPVXHOT-GUYCJALGSA-N 1 0 331.416 2.884 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271211202 474443828 /nfs/dbraw/zinc/44/38/28/474443828.db2.gz YLUVPCUKQVRRNN-LBPRGKRZSA-N 1 0 342.237 2.741 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000271231793 474454683 /nfs/dbraw/zinc/45/46/83/474454683.db2.gz CGCLJSKNKYQSLR-SMDDNHRTSA-N 1 0 343.221 2.950 20 5 EFBDRO CC[C@@]1(C)CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000248863947 474462683 /nfs/dbraw/zinc/46/26/83/474462683.db2.gz AMONAIBEXMFIOF-DYVFJYSZSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1nnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000289873590 474465128 /nfs/dbraw/zinc/46/51/28/474465128.db2.gz PCAYORBRVRTGOB-UHFFFAOYSA-N 1 0 344.343 2.688 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(OCC)OCC ZINC000276253122 474468823 /nfs/dbraw/zinc/46/88/23/474468823.db2.gz SKMABZDYNAOWHC-UHFFFAOYSA-N 1 0 326.393 2.872 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCCCC1 ZINC000237766376 474473222 /nfs/dbraw/zinc/47/32/22/474473222.db2.gz WGPVKWRXJFXZKA-UHFFFAOYSA-N 1 0 346.431 2.586 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000237794244 474477369 /nfs/dbraw/zinc/47/73/69/474477369.db2.gz UXMCGBFFHLPBSQ-MRXNPFEDSA-N 1 0 346.431 2.807 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000276281193 474479411 /nfs/dbraw/zinc/47/94/11/474479411.db2.gz VJVBOMAKQZMVHF-UHFFFAOYSA-N 1 0 332.404 2.880 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271304818 474483701 /nfs/dbraw/zinc/48/37/01/474483701.db2.gz VEQUZRNAKDMNLQ-GJZGRUSLSA-N 1 0 331.416 2.877 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271304389 474484094 /nfs/dbraw/zinc/48/40/94/474484094.db2.gz HHJDWUJCXFIJON-CMPLNLGQSA-N 1 0 329.347 2.973 20 5 EFBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237873625 474491522 /nfs/dbraw/zinc/49/15/22/474491522.db2.gz QDBGQLIBEKWPOH-UHFFFAOYSA-N 1 0 340.383 2.774 20 5 EFBDRO [NH3+][C@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237900184 474498909 /nfs/dbraw/zinc/49/89/09/474498909.db2.gz XWKZXPNJTGTLFL-MRXNPFEDSA-N 1 0 325.368 2.964 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)CCCO ZINC000271354631 474506072 /nfs/dbraw/zinc/50/60/72/474506072.db2.gz DRIWJPCIEITMDH-CYBMUJFWSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000266875445 474512623 /nfs/dbraw/zinc/51/26/23/474512623.db2.gz OEFVGHOEROQXEM-CYBMUJFWSA-N 1 0 346.383 2.825 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000283859599 474513609 /nfs/dbraw/zinc/51/36/09/474513609.db2.gz HMASALSBAOOPTM-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000238054700 474527880 /nfs/dbraw/zinc/52/78/80/474527880.db2.gz LBHIGVLQBHIYRS-QGZVFWFLSA-N 1 0 348.447 2.811 20 5 EFBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992797 474529134 /nfs/dbraw/zinc/52/91/34/474529134.db2.gz YCCDWYBBRQHILP-HOCLYGCPSA-N 1 0 342.823 2.904 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276403174 474529147 /nfs/dbraw/zinc/52/91/47/474529147.db2.gz AEPNRNHQOWUHOW-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000189992833 474529779 /nfs/dbraw/zinc/52/97/79/474529779.db2.gz YCCDWYBBRQHILP-GOEBONIOSA-N 1 0 342.823 2.904 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995735 474544840 /nfs/dbraw/zinc/54/48/40/474544840.db2.gz HOMYXQFZFSIIGC-TZMCWYRMSA-N 1 0 347.390 2.818 20 5 EFBDRO C[C@H](CO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000276461602 474553365 /nfs/dbraw/zinc/55/33/65/474553365.db2.gz ORPQHIQLTLDPDF-GFCCVEGCSA-N 1 0 346.387 2.770 20 5 EFBDRO C[C@H](CO)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000276471408 474556185 /nfs/dbraw/zinc/55/61/85/474556185.db2.gz QLHXEFLCRWSUFC-GFCCVEGCSA-N 1 0 346.387 2.770 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCSC2)o1 ZINC000267005727 474562891 /nfs/dbraw/zinc/56/28/91/474562891.db2.gz FEZRMAVFLWJKIU-MRXNPFEDSA-N 1 0 334.397 2.812 20 5 EFBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190199243 474563655 /nfs/dbraw/zinc/56/36/55/474563655.db2.gz SHIMOFLLEKWVGG-CYBMUJFWSA-N 1 0 349.431 2.906 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271477247 474564504 /nfs/dbraw/zinc/56/45/04/474564504.db2.gz WVEKIGPAZWQVKJ-OAHLLOKOSA-N 1 0 336.388 2.769 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCO1 ZINC000271479844 474565357 /nfs/dbraw/zinc/56/53/57/474565357.db2.gz JLYMKYVAAFWLAI-GFCCVEGCSA-N 1 0 326.418 2.818 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000284081525 474567502 /nfs/dbraw/zinc/56/75/02/474567502.db2.gz RMAVHXWCLLWXFM-NEPJUHHUSA-N 1 0 336.367 2.743 20 5 EFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000271489058 474569081 /nfs/dbraw/zinc/56/90/81/474569081.db2.gz XHWTVBHLKHYEPA-UHFFFAOYSA-N 1 0 328.372 2.814 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000184652971 474575229 /nfs/dbraw/zinc/57/52/29/474575229.db2.gz ADZODEUMGDYFOQ-INIZCTEOSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000245389958 474577353 /nfs/dbraw/zinc/57/73/53/474577353.db2.gz KCMDUTJXTQGNBZ-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000267095515 474588440 /nfs/dbraw/zinc/58/84/40/474588440.db2.gz VMVZYZSFEHWCGR-UHFFFAOYSA-N 1 0 333.432 2.984 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000184703263 474589275 /nfs/dbraw/zinc/58/92/75/474589275.db2.gz AUQQRPYMKSSMQY-HOTGVXAUSA-N 1 0 345.443 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000267100531 474589258 /nfs/dbraw/zinc/58/92/58/474589258.db2.gz WOXBVKHCESJIGL-UHFFFAOYSA-N 1 0 325.796 2.549 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249689805 474603809 /nfs/dbraw/zinc/60/38/09/474603809.db2.gz PGYBJYMDINXRQB-UONOGXRCSA-N 1 0 334.420 2.514 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000609133392 480115163 /nfs/dbraw/zinc/11/51/63/480115163.db2.gz VTUSITGMPAFRNZ-UHFFFAOYSA-N 1 0 328.368 2.780 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184828477 474615758 /nfs/dbraw/zinc/61/57/58/474615758.db2.gz FOHLLWMWOXWDLC-HUUCEWRRSA-N 1 0 335.404 2.516 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000291547111 474616298 /nfs/dbraw/zinc/61/62/98/474616298.db2.gz AHYSLIXZPAGBMK-GOEBONIOSA-N 1 0 346.431 2.756 20 5 EFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291555871 474617645 /nfs/dbraw/zinc/61/76/45/474617645.db2.gz XGIRYZBOJVDXBB-QMMMGPOBSA-N 1 0 332.187 2.583 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000267213423 474620265 /nfs/dbraw/zinc/62/02/65/474620265.db2.gz HTMFRVDUTAKKGH-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000250201508 474631371 /nfs/dbraw/zinc/63/13/71/474631371.db2.gz CVUHSFRLZYGVBV-SJLPKXTDSA-N 1 0 342.395 2.824 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000267272804 474634579 /nfs/dbraw/zinc/63/45/79/474634579.db2.gz IWPLLCAUNPWRQC-GDBMZVCRSA-N 1 0 333.432 2.861 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267281518 474636587 /nfs/dbraw/zinc/63/65/87/474636587.db2.gz KWGMCRPUSUXWLT-STQMWFEESA-N 1 0 331.372 2.944 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267281511 474636872 /nfs/dbraw/zinc/63/68/72/474636872.db2.gz KWGMCRPUSUXWLT-QWHCGFSZSA-N 1 0 331.372 2.944 20 5 EFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000291666410 474645102 /nfs/dbraw/zinc/64/51/02/474645102.db2.gz LHUBZFOXBPYJPB-SJKOYZFVSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1=CC[N@H+](C)CC1 ZINC000272940531 474646417 /nfs/dbraw/zinc/64/64/17/474646417.db2.gz LWBAVBZUQMZXOT-LLVKDONJSA-N 1 0 330.388 2.542 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000291679316 474647496 /nfs/dbraw/zinc/64/74/96/474647496.db2.gz XDOHQYNQNOUBAL-KOLCDFICSA-N 1 0 349.214 2.636 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000291682878 474648401 /nfs/dbraw/zinc/64/84/01/474648401.db2.gz CMXLIGIBZSXGSI-ZDUSSCGKSA-N 1 0 332.404 2.933 20 5 EFBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291702586 474653272 /nfs/dbraw/zinc/65/32/72/474653272.db2.gz ZDSHABRSZYKDAY-AMIZOPFISA-N 1 0 335.187 2.531 20 5 EFBDRO C[C@H](c1ccccn1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267352579 474655701 /nfs/dbraw/zinc/65/57/01/474655701.db2.gz GCCRZYKRMZIBKC-CQSZACIVSA-N 1 0 340.383 2.509 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000272982973 474657974 /nfs/dbraw/zinc/65/79/74/474657974.db2.gz JMDTYRXQPJDGTE-LRDDRELGSA-N 1 0 345.374 2.790 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344339630 474663599 /nfs/dbraw/zinc/66/35/99/474663599.db2.gz XDIVUVZMHAJJSF-CYBMUJFWSA-N 1 0 329.404 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](O)C34CCCC4)o2)cc1 ZINC000292831086 474664885 /nfs/dbraw/zinc/66/48/85/474664885.db2.gz UCZJQVOGEOSUTK-AWEZNQCLSA-N 1 0 344.371 2.524 20 5 EFBDRO COc1cc(C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])cc1OC ZINC000273003752 474667041 /nfs/dbraw/zinc/66/70/41/474667041.db2.gz ZWUWDKATGRKNCF-UHFFFAOYSA-N 1 0 338.404 2.597 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000284566547 474671183 /nfs/dbraw/zinc/67/11/83/474671183.db2.gz YQPWHICSCJJZMT-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000273034629 474682122 /nfs/dbraw/zinc/68/21/22/474682122.db2.gz GXIYWWULUWGZNL-QWHCGFSZSA-N 1 0 338.404 2.907 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292879743 474693209 /nfs/dbraw/zinc/69/32/09/474693209.db2.gz XWOWRTZPLUMMKJ-MRXNPFEDSA-N 1 0 347.415 2.611 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273084357 474707060 /nfs/dbraw/zinc/70/70/60/474707060.db2.gz RKIPYXLLVNKDEK-MSOLQXFVSA-N 1 0 347.415 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000267939740 474717073 /nfs/dbraw/zinc/71/70/73/474717073.db2.gz HGKKIWBHCUWQSU-DZGCQCFKSA-N 1 0 332.404 2.960 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000278590855 474723671 /nfs/dbraw/zinc/72/36/71/474723671.db2.gz YWZWBKNTXQOOFL-AWEZNQCLSA-N 1 0 349.431 2.509 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[N@@H+]1C1CC1 ZINC000267974044 474732162 /nfs/dbraw/zinc/73/21/62/474732162.db2.gz NBIIRAXATYLQOY-CMPLNLGQSA-N 1 0 329.356 2.696 20 5 EFBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340870753 474736168 /nfs/dbraw/zinc/73/61/68/474736168.db2.gz CFSFTZVMENRRKS-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344422550 474742656 /nfs/dbraw/zinc/74/26/56/474742656.db2.gz HIPJNOUNUPLXGF-BETUJISGSA-N 1 0 335.404 2.548 20 5 EFBDRO CCN1CCO[C@@H](CNc2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284754138 474753380 /nfs/dbraw/zinc/75/33/80/474753380.db2.gz XUFRZMHSVIKFBH-IRXDYDNUSA-N 1 0 342.399 2.864 20 5 EFBDRO CCSCC[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273166814 474753542 /nfs/dbraw/zinc/75/35/42/474753542.db2.gz OGZXFUWOIRLGLE-UONOGXRCSA-N 1 0 342.461 2.798 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284753287 474753633 /nfs/dbraw/zinc/75/36/33/474753633.db2.gz JOYHCZMJOHNGFJ-BVPBIZIASA-N 1 0 334.416 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1F ZINC000291927669 474755222 /nfs/dbraw/zinc/75/52/22/474755222.db2.gz SQZKIBJNEJSRBD-GOSISDBHSA-N 1 0 330.359 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000291927671 474756666 /nfs/dbraw/zinc/75/66/66/474756666.db2.gz SQZKIBJNEJSRBD-SFHVURJKSA-N 1 0 330.359 2.870 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000293008091 474762788 /nfs/dbraw/zinc/76/27/88/474762788.db2.gz IBGJDDPWWWDCKH-JTQLQIEISA-N 1 0 328.210 2.745 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293021609 474768268 /nfs/dbraw/zinc/76/82/68/474768268.db2.gz LHMRDAMIUDKKIJ-KRWDZBQOSA-N 1 0 349.431 2.979 20 5 EFBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000338951917 474770772 /nfs/dbraw/zinc/77/07/72/474770772.db2.gz WILFGQICFYDPJJ-QGZVFWFLSA-N 1 0 330.384 2.775 20 5 EFBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000253613204 474772297 /nfs/dbraw/zinc/77/22/97/474772297.db2.gz NGLVMQROCRWRLB-CQSZACIVSA-N 1 0 343.343 2.551 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000278677821 474772166 /nfs/dbraw/zinc/77/21/66/474772166.db2.gz JOVKRMDGJXTDKO-INIZCTEOSA-N 1 0 331.416 2.868 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000254965213 474780390 /nfs/dbraw/zinc/78/03/90/474780390.db2.gz KAAGFAAGUUGFNL-YVMONPNESA-N 1 0 343.427 2.942 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268070201 474781551 /nfs/dbraw/zinc/78/15/51/474781551.db2.gz AFULZZIAUUJPOO-CYBMUJFWSA-N 1 0 333.413 2.976 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284807534 474781563 /nfs/dbraw/zinc/78/15/63/474781563.db2.gz PAOMISFJNSVABP-SJORKVTESA-N 1 0 347.415 2.875 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293043837 474782772 /nfs/dbraw/zinc/78/27/72/474782772.db2.gz HFCXJLIZSNFFGO-KRWDZBQOSA-N 1 0 349.431 2.979 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000255026466 474788999 /nfs/dbraw/zinc/78/89/99/474788999.db2.gz RKEFNUFJYURJIE-CGMDOEBQSA-N 1 0 329.400 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000273233582 474792275 /nfs/dbraw/zinc/79/22/75/474792275.db2.gz SDTHVFPGXVBFEE-MRXNPFEDSA-N 1 0 345.374 2.913 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268096324 474796045 /nfs/dbraw/zinc/79/60/45/474796045.db2.gz CQKUPOYSXXTXBE-XEZPLFJOSA-N 1 0 346.431 2.746 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000340942986 474802126 /nfs/dbraw/zinc/80/21/26/474802126.db2.gz XMVWTPIKNLTWFJ-HUUCEWRRSA-N 1 0 348.447 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CC2CCOCC2)CC1 ZINC000255091105 474802412 /nfs/dbraw/zinc/80/24/12/474802412.db2.gz FNVMIOVVFMCTTB-HYXAFXHYSA-N 1 0 345.443 2.652 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[S@](C)=O ZINC000273257471 474806486 /nfs/dbraw/zinc/80/64/86/474806486.db2.gz MDBUJMTUOJWMPF-DCVWQXJKSA-N 1 0 330.475 2.822 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255127185 474807952 /nfs/dbraw/zinc/80/79/52/474807952.db2.gz GLAPRCLMQVJYJA-LWULTOEVSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255131005 474809635 /nfs/dbraw/zinc/80/96/35/474809635.db2.gz ODWXNSOAFISCFC-FJVVXJACSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000293104786 474815597 /nfs/dbraw/zinc/81/55/97/474815597.db2.gz QMTMEGGIHZTVMR-SFHVURJKSA-N 1 0 349.431 2.654 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000278757392 474817702 /nfs/dbraw/zinc/81/77/02/474817702.db2.gz KKIXZQTUWUZWPX-XJKCOSOUSA-N 1 0 340.445 2.595 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000337251138 474826998 /nfs/dbraw/zinc/82/69/98/474826998.db2.gz KIYGCGIBHWRFDV-JGGQBBKZSA-N 1 0 340.807 2.610 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255305690 474830557 /nfs/dbraw/zinc/83/05/57/474830557.db2.gz BLGGPFCUOJHJRF-BJIFSAINSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1nn(C)c(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000310931468 474832168 /nfs/dbraw/zinc/83/21/68/474832168.db2.gz TZUZOTIZGVOZIW-GOSISDBHSA-N 1 0 343.431 2.961 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000311651418 474841012 /nfs/dbraw/zinc/84/10/12/474841012.db2.gz DVIKOJLWQJRFAR-VIFPVBQESA-N 1 0 331.214 2.893 20 5 EFBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000278809515 474846035 /nfs/dbraw/zinc/84/60/35/474846035.db2.gz ZYYVWLJZFINDRD-RDJZCZTQSA-N 1 0 341.411 2.943 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293175844 474854752 /nfs/dbraw/zinc/85/47/52/474854752.db2.gz VKXFPNRTUCWUHQ-LLVKDONJSA-N 1 0 346.353 2.580 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992710 474856638 /nfs/dbraw/zinc/85/66/38/474856638.db2.gz JBBNVMNTJZCUIS-ZFWWWQNUSA-N 1 0 336.388 2.755 20 5 EFBDRO Cc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278843511 474866261 /nfs/dbraw/zinc/86/62/61/474866261.db2.gz ZXOBSDOYNOPNJC-OAHLLOKOSA-N 1 0 333.432 2.588 20 5 EFBDRO C[N@@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000345073362 474868603 /nfs/dbraw/zinc/86/86/03/474868603.db2.gz XGPRCOCYTJZTKA-IRXDYDNUSA-N 1 0 343.358 2.562 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255575284 474876443 /nfs/dbraw/zinc/87/64/43/474876443.db2.gz LTZINMHUHMBHMX-WLMCBFPDSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292161868 474880548 /nfs/dbraw/zinc/88/05/48/474880548.db2.gz DBUMRNRJGOAUIR-GFCCVEGCSA-N 1 0 334.376 2.814 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000268237769 474881689 /nfs/dbraw/zinc/88/16/89/474881689.db2.gz QUZWLWZKSDIAIU-CYBMUJFWSA-N 1 0 344.415 2.784 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000292167743 474883531 /nfs/dbraw/zinc/88/35/31/474883531.db2.gz WZRAGYYBDBWCLN-CQSZACIVSA-N 1 0 337.420 2.517 20 5 EFBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285078975 474885238 /nfs/dbraw/zinc/88/52/38/474885238.db2.gz JMAJBWLIJRSYKE-DIFFPNOSSA-N 1 0 333.363 2.874 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000273456981 474907456 /nfs/dbraw/zinc/90/74/56/474907456.db2.gz MBPDVLMLCFVQKB-ZDUSSCGKSA-N 1 0 336.367 2.826 20 5 EFBDRO CCc1nocc1CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293281615 474907580 /nfs/dbraw/zinc/90/75/80/474907580.db2.gz CPVZUFHYGQZZJQ-LLVKDONJSA-N 1 0 332.360 2.604 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255864947 474908821 /nfs/dbraw/zinc/90/88/21/474908821.db2.gz KIOFMOMCWWCSBB-AISUJJHZSA-N 1 0 329.400 2.551 20 5 EFBDRO COc1cc(C[N@H+](C)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000292223274 474911775 /nfs/dbraw/zinc/91/17/75/474911775.db2.gz VBOOKAVKBXVKSM-UHFFFAOYSA-N 1 0 346.330 2.552 20 5 EFBDRO C[NH+](C)CCOc1cnccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000341048195 474914521 /nfs/dbraw/zinc/91/45/21/474914521.db2.gz SNPYXOGVCNDREC-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273484190 474924349 /nfs/dbraw/zinc/92/43/49/474924349.db2.gz VDNZAYJWHAPYEQ-IUODEOHRSA-N 1 0 326.418 2.537 20 5 EFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000273489305 474924880 /nfs/dbraw/zinc/92/48/80/474924880.db2.gz SBZOZUZJHROFKL-GFCCVEGCSA-N 1 0 338.383 2.977 20 5 EFBDRO Cc1cc(NCc2ccncc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341060379 474928832 /nfs/dbraw/zinc/92/88/32/474928832.db2.gz ZHONSIWDEKPYOV-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273504295 474935003 /nfs/dbraw/zinc/93/50/03/474935003.db2.gz PTDIVHPTIORRGT-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000273513351 474939605 /nfs/dbraw/zinc/93/96/05/474939605.db2.gz PAVFPWOJPKXJRQ-GHMZBOCLSA-N 1 0 344.824 2.608 20 5 EFBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292291829 474944749 /nfs/dbraw/zinc/94/47/49/474944749.db2.gz CPVLOZYFCYCTTL-WFASDCNBSA-N 1 0 331.372 2.638 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[N@H+](C)C1 ZINC000293371288 474949625 /nfs/dbraw/zinc/94/96/25/474949625.db2.gz PCNKOVBPRTTZBH-NSHDSACASA-N 1 0 345.321 2.780 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339125408 474951959 /nfs/dbraw/zinc/95/19/59/474951959.db2.gz VJWGUTJUSSMBKK-AAEUAGOBSA-N 1 0 345.321 2.618 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268427244 474972946 /nfs/dbraw/zinc/97/29/46/474972946.db2.gz XQFHZJHIFYPSSY-HNNXBMFYSA-N 1 0 347.459 2.967 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000324597558 474973164 /nfs/dbraw/zinc/97/31/64/474973164.db2.gz HLCONEYJBRKSKV-KRWDZBQOSA-N 1 0 330.384 2.741 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000292373088 474988930 /nfs/dbraw/zinc/98/89/30/474988930.db2.gz JAHZLCBKTXRHOS-OLZOCXBDSA-N 1 0 337.445 2.997 20 5 EFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337419581 474997362 /nfs/dbraw/zinc/99/73/62/474997362.db2.gz ARQGJYLAWGLKJQ-BMIGLBTASA-N 1 0 326.780 2.879 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000292416882 475013616 /nfs/dbraw/zinc/01/36/16/475013616.db2.gz ZYVBEJGHFSLYQW-QGZVFWFLSA-N 1 0 329.356 2.509 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)C1 ZINC000292417095 475015156 /nfs/dbraw/zinc/01/51/56/475015156.db2.gz WEVYDPNREKVYGF-CYBMUJFWSA-N 1 0 330.310 2.541 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000261684206 475023872 /nfs/dbraw/zinc/02/38/72/475023872.db2.gz MZKLKJKUBLHBQT-KRWDZBQOSA-N 1 0 325.368 2.520 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609291212 480139752 /nfs/dbraw/zinc/13/97/52/480139752.db2.gz NPHPMRFOYIMBGY-HIFRSBDPSA-N 1 0 346.431 2.972 20 5 EFBDRO COCC1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261728808 475043085 /nfs/dbraw/zinc/04/30/85/475043085.db2.gz RKQSNZNEFVGPCJ-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EFBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261768650 475057513 /nfs/dbraw/zinc/05/75/13/475057513.db2.gz OPJGMVLPZKEGDJ-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261779254 475059681 /nfs/dbraw/zinc/05/96/81/475059681.db2.gz PCOZPPDYKPQWFY-ZWNOBZJWSA-N 1 0 325.796 2.582 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCCC1 ZINC000261779291 475060291 /nfs/dbraw/zinc/06/02/91/475060291.db2.gz NSNBTVIBBABHLE-UHFFFAOYSA-N 1 0 340.343 2.559 20 5 EFBDRO CN(C)[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCSC1 ZINC000268912808 475066746 /nfs/dbraw/zinc/06/67/46/475066746.db2.gz IEKCZOHFNSXURE-AEFFLSMTSA-N 1 0 349.500 2.943 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522238 475068305 /nfs/dbraw/zinc/06/83/05/475068305.db2.gz WIUDIVCLEQFRET-DYVFJYSZSA-N 1 0 328.368 2.911 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292528760 475072003 /nfs/dbraw/zinc/07/20/03/475072003.db2.gz ZIKZDPHBFWINNX-CYBMUJFWSA-N 1 0 331.416 2.850 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000281131762 475084118 /nfs/dbraw/zinc/08/41/18/475084118.db2.gz TWNZPSTVXDGTHL-WNSKOXEYSA-N 1 0 336.457 2.807 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281156152 475092840 /nfs/dbraw/zinc/09/28/40/475092840.db2.gz BCLDKGSXHXWSKT-STQMWFEESA-N 1 0 335.404 2.655 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281180005 475104809 /nfs/dbraw/zinc/10/48/09/475104809.db2.gz AUXJMRRSASCHIS-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000281200204 475112975 /nfs/dbraw/zinc/11/29/75/475112975.db2.gz NCTWBYMOXYIWSJ-JTQLQIEISA-N 1 0 328.210 2.745 20 5 EFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292613513 475115328 /nfs/dbraw/zinc/11/53/28/475115328.db2.gz JAFFUXCHELFUEO-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273915151 475115573 /nfs/dbraw/zinc/11/55/73/475115573.db2.gz DPOINICJCUCLIA-ZDUSSCGKSA-N 1 0 337.395 2.612 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292625657 475121885 /nfs/dbraw/zinc/12/18/85/475121885.db2.gz OUUQBJLGPZLJMH-DOMZBBRYSA-N 1 0 346.431 2.612 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273959027 475138583 /nfs/dbraw/zinc/13/85/83/475138583.db2.gz NSSGUWISJHITMS-ZFWWWQNUSA-N 1 0 327.388 2.850 20 5 EFBDRO C[NH+](C)C1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000292662712 475140023 /nfs/dbraw/zinc/14/00/23/475140023.db2.gz OOXSOZSXCLRIMR-UHFFFAOYSA-N 1 0 334.420 2.613 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccccc3Cl)CC2)n1 ZINC000295960775 475144464 /nfs/dbraw/zinc/14/44/64/475144464.db2.gz MROGDHSRBYMWJP-UHFFFAOYSA-N 1 0 349.822 2.657 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000274001202 475157678 /nfs/dbraw/zinc/15/76/78/475157678.db2.gz SZLCZOZRXYXIPF-UHFFFAOYSA-N 1 0 339.779 2.709 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287475790 475165068 /nfs/dbraw/zinc/16/50/68/475165068.db2.gz SACPFIHWLZVILE-LBPRGKRZSA-N 1 0 337.807 2.693 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296019437 475168632 /nfs/dbraw/zinc/16/86/32/475168632.db2.gz LRQOGPGEFUDXPH-HNNXBMFYSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292729818 475173116 /nfs/dbraw/zinc/17/31/16/475173116.db2.gz ULRJVUPAZOXVDU-ZDUSSCGKSA-N 1 0 337.395 2.955 20 5 EFBDRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1OC ZINC000339384285 475182026 /nfs/dbraw/zinc/18/20/26/475182026.db2.gz GLBSKFWPZSGFKX-SNVBAGLBSA-N 1 0 336.348 2.708 20 5 EFBDRO CCCOc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000341629448 475194270 /nfs/dbraw/zinc/19/42/70/475194270.db2.gz PADKCSXGEIYVNC-CYBMUJFWSA-N 1 0 348.403 2.940 20 5 EFBDRO CS[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296101821 475195660 /nfs/dbraw/zinc/19/56/60/475195660.db2.gz DNFVBGAOHTWGHC-JTQLQIEISA-N 1 0 329.809 2.624 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000296138875 475206937 /nfs/dbraw/zinc/20/69/37/475206937.db2.gz ZOEOLNDGCWTTIM-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262314741 475219442 /nfs/dbraw/zinc/21/94/42/475219442.db2.gz CCLVWXDDDFFXPA-BLLLJJGKSA-N 1 0 337.807 2.644 20 5 EFBDRO COc1ccc(C2([NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000341685952 475223072 /nfs/dbraw/zinc/22/30/72/475223072.db2.gz UMJUGVGGAJLVHD-UHFFFAOYSA-N 1 0 341.367 2.821 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352371903 475226725 /nfs/dbraw/zinc/22/67/25/475226725.db2.gz WCADKURYJKTTPR-JTQLQIEISA-N 1 0 345.346 2.656 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000609383518 480154850 /nfs/dbraw/zinc/15/48/50/480154850.db2.gz ROYUATLXASSVAK-GFCCVEGCSA-N 1 0 335.429 2.531 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000341711287 475242132 /nfs/dbraw/zinc/24/21/32/475242132.db2.gz ZAKULCSXNALFPR-CQSZACIVSA-N 1 0 348.447 2.655 20 5 EFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347337198 475243933 /nfs/dbraw/zinc/24/39/33/475243933.db2.gz MDJYUNBTHURPOP-CRPZLVSXSA-N 1 0 331.416 2.798 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000361175446 475244654 /nfs/dbraw/zinc/24/46/54/475244654.db2.gz FYRPTYOXEOOXDI-RHSMWYFYSA-N 1 0 333.432 2.620 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000296267684 475245274 /nfs/dbraw/zinc/24/52/74/475245274.db2.gz YEELNEHWMVZIKU-LLVKDONJSA-N 1 0 341.383 2.593 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000361178661 475247980 /nfs/dbraw/zinc/24/79/80/475247980.db2.gz QYPOGEVGNUOYAK-MRXNPFEDSA-N 1 0 345.374 2.603 20 5 EFBDRO CCn1cc([C@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296287174 475253689 /nfs/dbraw/zinc/25/36/89/475253689.db2.gz ZAOQAJHUTMCTEG-LBPRGKRZSA-N 1 0 334.376 2.549 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386337 480156026 /nfs/dbraw/zinc/15/60/26/480156026.db2.gz POFOSBJNEHTAOR-HNNXBMFYSA-N 1 0 348.447 2.694 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000609386351 480156095 /nfs/dbraw/zinc/15/60/95/480156095.db2.gz QQEKOEFFWBMAII-AWEZNQCLSA-N 1 0 345.403 2.607 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262580574 475261380 /nfs/dbraw/zinc/26/13/80/475261380.db2.gz JDWPEAIVQDYTCZ-UHFFFAOYSA-N 1 0 348.428 2.775 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341738103 475262050 /nfs/dbraw/zinc/26/20/50/475262050.db2.gz ZTYTVFUZLJASJY-HZSPNIEDSA-N 1 0 346.431 2.535 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337719076 475268464 /nfs/dbraw/zinc/26/84/64/475268464.db2.gz HZUKRBDFLLXWSF-GFCCVEGCSA-N 1 0 334.397 2.849 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000347371720 475272870 /nfs/dbraw/zinc/27/28/70/475272870.db2.gz VSXVOPUKJWFXBX-YVGNARHYSA-N 1 0 331.416 2.976 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000347373596 475277854 /nfs/dbraw/zinc/27/78/54/475277854.db2.gz RRSPFUGXPZDBPS-ZROIWOOFSA-N 1 0 329.400 2.600 20 5 EFBDRO NC(=O)C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000339529944 475278131 /nfs/dbraw/zinc/27/81/31/475278131.db2.gz FDNGKSCDXZDXJK-DHINHOHASA-N 1 0 325.368 2.814 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000296421817 475307167 /nfs/dbraw/zinc/30/71/67/475307167.db2.gz XZTRWWSUIXYQOL-IRXDYDNUSA-N 1 0 332.400 2.519 20 5 EFBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000361262776 475311526 /nfs/dbraw/zinc/31/15/26/475311526.db2.gz PKCIJNIAJPELTD-QMTHXVAHSA-N 1 0 341.371 2.715 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000341806824 475318417 /nfs/dbraw/zinc/31/84/17/475318417.db2.gz BKFUHTWRJUYBPM-LBPRGKRZSA-N 1 0 329.356 2.898 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000354660129 475322173 /nfs/dbraw/zinc/32/21/73/475322173.db2.gz UAGLPDYAAJQJQB-UHFFFAOYSA-N 1 0 326.356 2.921 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341841524 475347099 /nfs/dbraw/zinc/34/70/99/475347099.db2.gz HKMLAMJOTTWQMS-CYBMUJFWSA-N 1 0 334.420 2.760 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC[NH3+])CC1CCCC1 ZINC000352495137 475348757 /nfs/dbraw/zinc/34/87/57/475348757.db2.gz IUGPWYDESDAFEA-UHFFFAOYSA-N 1 0 348.447 2.683 20 5 EFBDRO CSCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495032 475349537 /nfs/dbraw/zinc/34/95/37/475349537.db2.gz IBXDSOUQBGFCEC-TZMCWYRMSA-N 1 0 339.461 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c(F)c1 ZINC000337820552 475351428 /nfs/dbraw/zinc/35/14/28/475351428.db2.gz ROXALBDSLILFKD-UHFFFAOYSA-N 1 0 341.346 2.664 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000296557380 475370581 /nfs/dbraw/zinc/37/05/81/475370581.db2.gz ZTOKMNCWEWBCJI-AWEZNQCLSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296558648 475370759 /nfs/dbraw/zinc/37/07/59/475370759.db2.gz UJNDMQAKBVIEHO-KBPBESRZSA-N 1 0 334.420 2.829 20 5 EFBDRO CC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345694025 475372813 /nfs/dbraw/zinc/37/28/13/475372813.db2.gz YRCWSCOQXODCJY-MRXNPFEDSA-N 1 0 335.429 2.653 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C2CCCCC2)n1 ZINC000331741941 475400929 /nfs/dbraw/zinc/40/09/29/475400929.db2.gz WIVVIIZCCLKILQ-XHSDSOJGSA-N 1 0 336.436 2.806 20 5 EFBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339685750 475410105 /nfs/dbraw/zinc/41/01/05/475410105.db2.gz GWXJXIXCCFTLMR-CQSZACIVSA-N 1 0 341.415 2.748 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[N@@H+]1C ZINC000345750741 475419581 /nfs/dbraw/zinc/41/95/81/475419581.db2.gz OHPWTCQFYNTGEB-CXAGYDPISA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000348145958 475425248 /nfs/dbraw/zinc/42/52/48/475425248.db2.gz MKSWCRNCZZCGAH-YPMHNXCESA-N 1 0 332.360 2.550 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000345756440 475425217 /nfs/dbraw/zinc/42/52/17/475425217.db2.gz SLEWFQXVEVGIIG-WFASDCNBSA-N 1 0 334.420 2.612 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296685655 475429527 /nfs/dbraw/zinc/42/95/27/475429527.db2.gz IZJRCEOSYUVQKX-NEPJUHHUSA-N 1 0 338.383 2.989 20 5 EFBDRO CC1(C)[C@@H](O)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361419693 475432752 /nfs/dbraw/zinc/43/27/52/475432752.db2.gz GNYPQZMVCFHSBE-HNNXBMFYSA-N 1 0 331.372 2.638 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296697928 475435260 /nfs/dbraw/zinc/43/52/60/475435260.db2.gz RSGPKDQCLYRILI-XJKSGUPXSA-N 1 0 334.420 2.829 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000331873509 475441644 /nfs/dbraw/zinc/44/16/44/475441644.db2.gz OYUXJETZKLZHHL-BZUAXINKSA-N 1 0 346.431 2.754 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339726798 475447043 /nfs/dbraw/zinc/44/70/43/475447043.db2.gz AFHWNCDWWBABIX-QGZVFWFLSA-N 1 0 349.431 2.619 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000296748327 475459654 /nfs/dbraw/zinc/45/96/54/475459654.db2.gz AZZCBNSCANPLIW-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000358178771 475464999 /nfs/dbraw/zinc/46/49/99/475464999.db2.gz ZFQVRRJWDNWFFA-AWEZNQCLSA-N 1 0 336.436 2.507 20 5 EFBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000341980569 475472555 /nfs/dbraw/zinc/47/25/55/475472555.db2.gz AJJWGIWJNSXPRS-IBGZPJMESA-N 1 0 325.412 2.954 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1 ZINC000339756200 475473253 /nfs/dbraw/zinc/47/32/53/475473253.db2.gz CHAFWLOMKVHILM-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000331985213 475476956 /nfs/dbraw/zinc/47/69/56/475476956.db2.gz TWPXAHCSDLOLQD-VIBAHUMZSA-N 1 0 334.416 2.826 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000331983830 475477055 /nfs/dbraw/zinc/47/70/55/475477055.db2.gz LPBMGRBNLWFSCB-KRWDZBQOSA-N 1 0 331.416 2.918 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000296791790 475479596 /nfs/dbraw/zinc/47/95/96/475479596.db2.gz OFKHLBYHGIZMLG-IAQYHMDHSA-N 1 0 337.807 2.723 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000332043187 475493049 /nfs/dbraw/zinc/49/30/49/475493049.db2.gz LUXQZQZKNDPHOC-UVBJJODRSA-N 1 0 335.379 2.580 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000296839916 475500579 /nfs/dbraw/zinc/50/05/79/475500579.db2.gz BTMATYRYPAYTBH-KBPBESRZSA-N 1 0 349.387 2.752 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000345848475 475505750 /nfs/dbraw/zinc/50/57/50/475505750.db2.gz KPPIJNNKQIECMW-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296864129 475511434 /nfs/dbraw/zinc/51/14/34/475511434.db2.gz UJLPHWKEXXICIA-HNNXBMFYSA-N 1 0 347.415 2.500 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358232418 475512181 /nfs/dbraw/zinc/51/21/81/475512181.db2.gz CKZGQJBXLWGBGA-DZUCGIPZSA-N 1 0 345.443 2.810 20 5 EFBDRO COC[C@@]1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000296863950 475512135 /nfs/dbraw/zinc/51/21/35/475512135.db2.gz UIJGZYYVDWQNAE-INIZCTEOSA-N 1 0 332.360 2.503 20 5 EFBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000296876966 475516483 /nfs/dbraw/zinc/51/64/83/475516483.db2.gz QCFFRDKACBOMLN-SECBINFHSA-N 1 0 346.309 2.687 20 5 EFBDRO COc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000296879631 475518883 /nfs/dbraw/zinc/51/88/83/475518883.db2.gz QJAJQNXPZHCVBW-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO Cc1cc(F)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296908553 475529786 /nfs/dbraw/zinc/52/97/86/475529786.db2.gz YHXLBUNQRPEAOE-YOGCLGLASA-N 1 0 336.367 2.789 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000338037611 475531899 /nfs/dbraw/zinc/53/18/99/475531899.db2.gz VKKXWMLVHYBKHS-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000332182539 475547108 /nfs/dbraw/zinc/54/71/08/475547108.db2.gz VFVCTYQZYAQAFK-UONOGXRCSA-N 1 0 349.456 2.630 20 5 EFBDRO CC(=O)Nc1cccc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352704281 475548385 /nfs/dbraw/zinc/54/83/85/475548385.db2.gz DYOZYWUCMJFEEO-UHFFFAOYSA-N 1 0 341.367 2.948 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296962256 475555933 /nfs/dbraw/zinc/55/59/33/475555933.db2.gz IAZIOMWYODDSOU-OHRKKDJYSA-N 1 0 346.431 2.889 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346151582 475564622 /nfs/dbraw/zinc/56/46/22/475564622.db2.gz ZEVFWSMVBNRACT-ZOWXZIJZSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1cccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346160230 475566398 /nfs/dbraw/zinc/56/63/98/475566398.db2.gz FEOFWTABEPXWCJ-XNRPHZJLSA-N 1 0 331.416 2.706 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000361581088 475566773 /nfs/dbraw/zinc/56/67/73/475566773.db2.gz FKWLPHPQANMPDI-UHFFFAOYSA-N 1 0 333.388 2.806 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000332240026 475570972 /nfs/dbraw/zinc/57/09/72/475570972.db2.gz UVUKWJOLQRNGLH-UHFFFAOYSA-N 1 0 342.399 2.557 20 5 EFBDRO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332240997 475571206 /nfs/dbraw/zinc/57/12/06/475571206.db2.gz IZQJQBZVUDEXEJ-NWDGAFQWSA-N 1 0 330.388 2.631 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332251141 475575426 /nfs/dbraw/zinc/57/54/26/475575426.db2.gz UFEQWEFPENCCKW-QWHCGFSZSA-N 1 0 331.420 2.776 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000361590761 475575312 /nfs/dbraw/zinc/57/53/12/475575312.db2.gz JYHHMQFDTRTZMS-SFHVURJKSA-N 1 0 330.359 2.870 20 5 EFBDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315106 475585502 /nfs/dbraw/zinc/58/55/02/475585502.db2.gz CXGRVAJVBRQFJR-SFHVURJKSA-N 1 0 345.447 2.538 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297044678 475587170 /nfs/dbraw/zinc/58/71/70/475587170.db2.gz BVQOJIJQWHYANJ-AGUYFDCRSA-N 1 0 332.404 2.958 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346427601 475600764 /nfs/dbraw/zinc/60/07/64/475600764.db2.gz VGVKERQVNGFLRM-ZANVPECISA-N 1 0 345.321 2.826 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000339907122 475605743 /nfs/dbraw/zinc/60/57/43/475605743.db2.gz WGKGXWGRXMISMF-HNNXBMFYSA-N 1 0 348.428 2.731 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332345598 475609297 /nfs/dbraw/zinc/60/92/97/475609297.db2.gz YEUIXQBCKHEFGX-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000348356927 475616712 /nfs/dbraw/zinc/61/67/12/475616712.db2.gz ODDCAHWIPPNYIK-GFCCVEGCSA-N 1 0 336.413 2.921 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355045633 475622250 /nfs/dbraw/zinc/62/22/50/475622250.db2.gz ARSYLQSWTSHPPD-UHFFFAOYSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297125803 475622666 /nfs/dbraw/zinc/62/26/66/475622666.db2.gz MRVJLUAYLHHFSD-AWEZNQCLSA-N 1 0 341.415 2.794 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332394239 475624293 /nfs/dbraw/zinc/62/42/93/475624293.db2.gz NWMSVDZROBHDJZ-JTDSTZFVSA-N 1 0 346.475 2.614 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332398326 475624546 /nfs/dbraw/zinc/62/45/46/475624546.db2.gz QRTJQZQGXAGOQZ-SOLBZPMBSA-N 1 0 346.475 2.614 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332399488 475625473 /nfs/dbraw/zinc/62/54/73/475625473.db2.gz RRSPGJLWIJBCJK-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376057 475629104 /nfs/dbraw/zinc/62/91/04/475629104.db2.gz RKWORHSHJZGLHG-ONGXEEELSA-N 1 0 336.310 2.957 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342705275 475630500 /nfs/dbraw/zinc/63/05/00/475630500.db2.gz FPEXDJNMASPCJD-LEWSCRJBSA-N 1 0 329.356 2.540 20 5 EFBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1OC ZINC000339961096 475641942 /nfs/dbraw/zinc/64/19/42/475641942.db2.gz XNKLCFOAJMIIOS-CQSZACIVSA-N 1 0 346.387 2.722 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358391756 475644370 /nfs/dbraw/zinc/64/43/70/475644370.db2.gz FOEIZXBQAQFSLP-QWHCGFSZSA-N 1 0 349.456 2.818 20 5 EFBDRO CCOC[C@H](O)CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000346554487 475653495 /nfs/dbraw/zinc/65/34/95/475653495.db2.gz IHGIICOZANONEZ-CRAIPNDOSA-N 1 0 348.399 2.827 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332538228 475662392 /nfs/dbraw/zinc/66/23/92/475662392.db2.gz ZIBUQOODPBUEFX-GOEBONIOSA-N 1 0 331.416 2.768 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(F)cc1 ZINC000297235816 475669412 /nfs/dbraw/zinc/66/94/12/475669412.db2.gz PHQNPQBZAKMJRM-DLBZAZTESA-N 1 0 343.358 2.691 20 5 EFBDRO CCC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000355115406 475676404 /nfs/dbraw/zinc/67/64/04/475676404.db2.gz RORJBUUGYAMTBH-KRWDZBQOSA-N 1 0 335.448 2.836 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000361703435 475679684 /nfs/dbraw/zinc/67/96/84/475679684.db2.gz SIUWTCCFLURDGL-UHFFFAOYSA-N 1 0 330.331 2.959 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332592758 475679711 /nfs/dbraw/zinc/67/97/11/475679711.db2.gz NWOSJGTVEYSTCA-GJZGRUSLSA-N 1 0 331.416 2.910 20 5 EFBDRO COc1cc(C[NH2+]CC2(C)CCC(OC)CC2)c([N+](=O)[O-])cc1O ZINC000355125061 475682715 /nfs/dbraw/zinc/68/27/15/475682715.db2.gz CSDFCKNZVDFCCJ-UHFFFAOYSA-N 1 0 338.404 2.994 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348474378 475687058 /nfs/dbraw/zinc/68/70/58/475687058.db2.gz BHFKFXJVBVVTPW-FVQBIDKESA-N 1 0 340.445 2.598 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cc1[N+](=O)[O-] ZINC000332655471 475703976 /nfs/dbraw/zinc/70/39/76/475703976.db2.gz VKLSFEZZDSUGEK-HUUCEWRRSA-N 1 0 346.431 2.725 20 5 EFBDRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340041407 475708964 /nfs/dbraw/zinc/70/89/64/475708964.db2.gz QOCZHNDHQFTTEC-OAHLLOKOSA-N 1 0 345.443 2.959 20 5 EFBDRO Cc1nnc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000355172493 475716992 /nfs/dbraw/zinc/71/69/92/475716992.db2.gz OLGRDYSRTOUTBY-IJVDHGTGSA-N 1 0 327.388 2.914 20 5 EFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353147430 475718318 /nfs/dbraw/zinc/71/83/18/475718318.db2.gz YQXSVXLKEORFMY-KLYJYZACSA-N 1 0 331.416 2.891 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348519496 475720084 /nfs/dbraw/zinc/72/00/84/475720084.db2.gz DBGNPFAOJNQFMB-CMPLNLGQSA-N 1 0 343.330 2.592 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)n1 ZINC000348521122 475722121 /nfs/dbraw/zinc/72/21/21/475722121.db2.gz NJAPYPIXHOXORQ-JKSUJKDBSA-N 1 0 330.388 2.519 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000358499780 475728199 /nfs/dbraw/zinc/72/81/99/475728199.db2.gz UAYSVNYTWBBRMR-CHWSQXEVSA-N 1 0 349.431 2.905 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000343061240 475731419 /nfs/dbraw/zinc/73/14/19/475731419.db2.gz CBVXYLFVSGALMH-HOCLYGCPSA-N 1 0 345.443 2.815 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000343061241 475731523 /nfs/dbraw/zinc/73/15/23/475731523.db2.gz CBVXYLFVSGALMH-ZBFHGGJFSA-N 1 0 345.443 2.815 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000358505879 475733553 /nfs/dbraw/zinc/73/35/53/475733553.db2.gz BOAALNQGMUUCNB-UHFFFAOYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000343068387 475740484 /nfs/dbraw/zinc/74/04/84/475740484.db2.gz TZAGZYWOFDKVFN-HUUCEWRRSA-N 1 0 348.447 2.776 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCC[NH+]1CCCC1 ZINC000343072023 475744455 /nfs/dbraw/zinc/74/44/55/475744455.db2.gz SCZUNTDSJZGOCA-UHFFFAOYSA-N 1 0 335.404 2.612 20 5 EFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC000353182096 475749059 /nfs/dbraw/zinc/74/90/59/475749059.db2.gz NLXBUFFVIGXHPA-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297420159 475749634 /nfs/dbraw/zinc/74/96/34/475749634.db2.gz OAOKYVTVLITJIY-QGZVFWFLSA-N 1 0 332.404 2.717 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000340093031 475753024 /nfs/dbraw/zinc/75/30/24/475753024.db2.gz IFRSTZDLFRWGBA-HUUCEWRRSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000338304515 475765189 /nfs/dbraw/zinc/76/51/89/475765189.db2.gz OYFONNBVPLSBNS-LSDHHAIUSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000297460016 475766159 /nfs/dbraw/zinc/76/61/59/475766159.db2.gz XLDRPOZKEMHHPN-CZUORRHYSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000340118734 475771994 /nfs/dbraw/zinc/77/19/94/475771994.db2.gz VGSTYGBTJNPGKH-LSDHHAIUSA-N 1 0 348.447 2.699 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000297509777 475788187 /nfs/dbraw/zinc/78/81/87/475788187.db2.gz YVVWUDBEASEGBF-KSSFIOAISA-N 1 0 346.431 2.783 20 5 EFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338327464 475791708 /nfs/dbraw/zinc/79/17/08/475791708.db2.gz WQASWOVRSRVGMN-JSGCOSHPSA-N 1 0 345.403 2.984 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297567106 475809380 /nfs/dbraw/zinc/80/93/80/475809380.db2.gz RWHLCZJKWWVRJV-ZIAGYGMSSA-N 1 0 335.404 2.595 20 5 EFBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccnc1 ZINC000361861693 475819142 /nfs/dbraw/zinc/81/91/42/475819142.db2.gz FRVLERAAOAAAGY-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000340173593 475823742 /nfs/dbraw/zinc/82/37/42/475823742.db2.gz SIVOQTFWTHIPPM-CQSZACIVSA-N 1 0 328.372 2.685 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297602745 475826175 /nfs/dbraw/zinc/82/61/75/475826175.db2.gz NOMIJQJKNITNEL-GJZGRUSLSA-N 1 0 346.431 2.783 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340180422 475830704 /nfs/dbraw/zinc/83/07/04/475830704.db2.gz NFDMGJVBOOPWLE-UHFFFAOYSA-N 1 0 344.415 2.657 20 5 EFBDRO Nc1c(F)c(N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000348721894 475834447 /nfs/dbraw/zinc/83/44/47/475834447.db2.gz PNOBAJBCKKSCNL-UHFFFAOYSA-N 1 0 344.390 2.681 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)c1ccccc1 ZINC000338374692 475839215 /nfs/dbraw/zinc/83/92/15/475839215.db2.gz DSOOVKNILFJKFM-QHCPKHFHSA-N 1 0 332.425 2.877 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340210990 475860653 /nfs/dbraw/zinc/86/06/53/475860653.db2.gz OQDWHGBNAMAJCJ-KGLIPLIRSA-N 1 0 348.321 2.751 20 5 EFBDRO CCNc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000361923572 475869978 /nfs/dbraw/zinc/86/99/78/475869978.db2.gz LDUUQTYVNMIDAJ-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000338408861 475876102 /nfs/dbraw/zinc/87/61/02/475876102.db2.gz KPDBSNVIPVVBPK-KBPBESRZSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358728927 475888774 /nfs/dbraw/zinc/88/87/74/475888774.db2.gz WVTVSXNFUXLFNF-IIAWOOMASA-N 1 0 333.432 2.715 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825733 475890675 /nfs/dbraw/zinc/89/06/75/475890675.db2.gz ILRJRTXXMYWHIU-HUUCEWRRSA-N 1 0 326.418 2.603 20 5 EFBDRO COCC1(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000358737611 475894416 /nfs/dbraw/zinc/89/44/16/475894416.db2.gz BTAZOYSXOVPUPV-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297816769 475894987 /nfs/dbraw/zinc/89/49/87/475894987.db2.gz ZBCGLDSVDOMZKU-QRTARXTBSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297816776 475895006 /nfs/dbraw/zinc/89/50/06/475895006.db2.gz ZBCGLDSVDOMZKU-YSVLISHTSA-N 1 0 346.431 2.782 20 5 EFBDRO COCC1(C)CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000358741105 475897879 /nfs/dbraw/zinc/89/78/79/475897879.db2.gz DKVNYBXNQBHFLJ-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343263533 475902586 /nfs/dbraw/zinc/90/25/86/475902586.db2.gz JFONBLLSFDSFLQ-UHFFFAOYSA-N 1 0 335.433 2.912 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000355413059 475914836 /nfs/dbraw/zinc/91/48/36/475914836.db2.gz CFWOIZJQFIVVPT-LCYFTJDESA-N 1 0 338.429 2.555 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343286307 475921008 /nfs/dbraw/zinc/92/10/08/475921008.db2.gz XTXKCHNLZKQBRS-RYUDHWBXSA-N 1 0 337.445 2.919 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000338466190 475933009 /nfs/dbraw/zinc/93/30/09/475933009.db2.gz YVAQTTKHGQUORT-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000353400512 475938976 /nfs/dbraw/zinc/93/89/76/475938976.db2.gz GLHBXBDGLZFTTB-NSHDSACASA-N 1 0 327.340 2.777 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340316925 475940425 /nfs/dbraw/zinc/94/04/25/475940425.db2.gz OTXQLAVYTQHSCS-JTQLQIEISA-N 1 0 345.321 2.780 20 5 EFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362020425 475942113 /nfs/dbraw/zinc/94/21/13/475942113.db2.gz XKEDOZVSYHTZFR-HOTGVXAUSA-N 1 0 347.371 2.533 20 5 EFBDRO CS[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000358814476 475961965 /nfs/dbraw/zinc/96/19/65/475961965.db2.gz UKZKCXOODKHVBL-CVEARBPZSA-N 1 0 339.436 2.746 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000338504647 475962481 /nfs/dbraw/zinc/96/24/81/475962481.db2.gz FJSKZFHGPZBWLQ-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000338507137 475965364 /nfs/dbraw/zinc/96/53/64/475965364.db2.gz ZRWXJRBATFGFGS-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000362062227 475970331 /nfs/dbraw/zinc/97/03/31/475970331.db2.gz SYDKWKJWUCXWCD-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCC3CCOCC3)C2)nc1 ZINC000346941276 475978144 /nfs/dbraw/zinc/97/81/44/475978144.db2.gz RMKZJOYXLDSSED-HNNXBMFYSA-N 1 0 334.420 2.683 20 5 EFBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343354638 475979697 /nfs/dbraw/zinc/97/96/97/475979697.db2.gz VCTYXBOFNHXINV-YIONKMFJSA-N 1 0 343.387 2.706 20 5 EFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1cccs1 ZINC000353468851 475995203 /nfs/dbraw/zinc/99/52/03/475995203.db2.gz CSZBVLRMQVYAED-DAXSKMNVSA-N 1 0 345.424 2.918 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343391422 476015491 /nfs/dbraw/zinc/01/54/91/476015491.db2.gz UZOWIMNZWCJAMV-CQSZACIVSA-N 1 0 335.404 2.718 20 5 EFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343391337 476015446 /nfs/dbraw/zinc/01/54/46/476015446.db2.gz UHUOZLHVRUKNFO-WBMJQRKESA-N 1 0 335.404 2.717 20 5 EFBDRO CN(C)C(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340410741 476017431 /nfs/dbraw/zinc/01/74/31/476017431.db2.gz YYZHPSLFEOPDLD-UHFFFAOYSA-N 1 0 342.399 2.541 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496553 476020331 /nfs/dbraw/zinc/02/03/31/476020331.db2.gz MLOCKONTXJJZQI-YOEHRIQHSA-N 1 0 345.447 2.738 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355544817 476021690 /nfs/dbraw/zinc/02/16/90/476021690.db2.gz INNVTRUHXVATHE-AWEZNQCLSA-N 1 0 339.395 2.924 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343399380 476026557 /nfs/dbraw/zinc/02/65/57/476026557.db2.gz VELRRAVSHXZSTF-YOEHRIQHSA-N 1 0 329.356 2.618 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(O)CCC1 ZINC000353509549 476031882 /nfs/dbraw/zinc/03/18/82/476031882.db2.gz HMCFUROHBLYJIV-LLVKDONJSA-N 1 0 332.360 2.553 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358909664 476032016 /nfs/dbraw/zinc/03/20/16/476032016.db2.gz VYVOSZFXIUONMX-UHFFFAOYSA-N 1 0 349.456 2.679 20 5 EFBDRO COc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353515559 476036776 /nfs/dbraw/zinc/03/67/76/476036776.db2.gz PPFIARKCNPDECH-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362163215 476041936 /nfs/dbraw/zinc/04/19/36/476041936.db2.gz OOHHIWSEABGPMS-DZGCQCFKSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000340463340 476050006 /nfs/dbraw/zinc/05/00/06/476050006.db2.gz HXIMGELKITYWRF-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340508680 476073407 /nfs/dbraw/zinc/07/34/07/476073407.db2.gz YUQYGTWPCMNPBD-AAEUAGOBSA-N 1 0 346.836 2.694 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000350185883 476086659 /nfs/dbraw/zinc/08/66/59/476086659.db2.gz YGXTUOMPCGNBQE-INIZCTEOSA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000334043751 476096185 /nfs/dbraw/zinc/09/61/85/476096185.db2.gz MMKMPMHXADGZSU-RYUDHWBXSA-N 1 0 338.383 2.976 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334041506 476097261 /nfs/dbraw/zinc/09/72/61/476097261.db2.gz JHWZSEBBBOLQMP-GXSJLCMTSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1cnc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000343648822 476097409 /nfs/dbraw/zinc/09/74/09/476097409.db2.gz MKQIMHJYQYDJKI-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000298463724 476102719 /nfs/dbraw/zinc/10/27/19/476102719.db2.gz XPLZGUWGFNUQIM-UHFFFAOYSA-N 1 0 325.434 2.533 20 5 EFBDRO Cc1ccnc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343695289 476103998 /nfs/dbraw/zinc/10/39/98/476103998.db2.gz CTWDTUGNYYHHAY-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350249945 476108216 /nfs/dbraw/zinc/10/82/16/476108216.db2.gz JMWPWGFKPACTIR-CQSZACIVSA-N 1 0 339.411 2.667 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343777704 476112676 /nfs/dbraw/zinc/11/26/76/476112676.db2.gz IQUPVQZDPYLYQI-JSGCOSHPSA-N 1 0 337.445 2.518 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000298494383 476113834 /nfs/dbraw/zinc/11/38/34/476113834.db2.gz YHDAGOVBASNVBC-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000356804273 476131548 /nfs/dbraw/zinc/13/15/48/476131548.db2.gz KNOCBPBWYQZBQJ-QWHCGFSZSA-N 1 0 339.461 2.920 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2nccs2)n1 ZINC000353630657 476139144 /nfs/dbraw/zinc/13/91/44/476139144.db2.gz NAULLDVXHDZDAZ-STQMWFEESA-N 1 0 335.433 2.954 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343971015 476141082 /nfs/dbraw/zinc/14/10/82/476141082.db2.gz KISNGQRWVJRIBH-KCQAQPDRSA-N 1 0 334.420 2.746 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299563502 476144332 /nfs/dbraw/zinc/14/43/32/476144332.db2.gz AJYBXVNQVBHUKB-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000336877856 476164815 /nfs/dbraw/zinc/16/48/15/476164815.db2.gz YAIVOWFUTXAGPW-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)cs2)c1 ZINC000353671928 476176295 /nfs/dbraw/zinc/17/62/95/476176295.db2.gz MPKABBCLYBFQPO-XJKSGUPXSA-N 1 0 344.440 2.902 20 5 EFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000362348137 476186822 /nfs/dbraw/zinc/18/68/22/476186822.db2.gz DOXYKVYGGPOXND-UHFFFAOYSA-N 1 0 330.363 2.724 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000347232347 476189319 /nfs/dbraw/zinc/18/93/19/476189319.db2.gz LWBTXKLISBCOKO-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000357053499 476190883 /nfs/dbraw/zinc/19/08/83/476190883.db2.gz OXPKQIPCCQIHAR-GJZGRUSLSA-N 1 0 327.384 2.896 20 5 EFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000344270204 476203830 /nfs/dbraw/zinc/20/38/30/476203830.db2.gz MWIHFZIUFASCKB-WBMJQRKESA-N 1 0 331.372 2.917 20 5 EFBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000350485400 476208125 /nfs/dbraw/zinc/20/81/25/476208125.db2.gz WKVKJVIWNGTZOC-CVEARBPZSA-N 1 0 349.431 2.695 20 5 EFBDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000362385026 476210200 /nfs/dbraw/zinc/21/02/00/476210200.db2.gz QIKUVHGYXHTJFQ-SFHVURJKSA-N 1 0 331.416 2.996 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000357086072 476220163 /nfs/dbraw/zinc/22/01/63/476220163.db2.gz RJVQVXWMEHMESO-HUUCEWRRSA-N 1 0 327.384 2.896 20 5 EFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000359326459 476223698 /nfs/dbraw/zinc/22/36/98/476223698.db2.gz YDXIAOPPUYUUII-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000353737504 476230870 /nfs/dbraw/zinc/23/08/70/476230870.db2.gz LYBCSCAUCHXSDC-OAHLLOKOSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000347297919 476240711 /nfs/dbraw/zinc/24/07/11/476240711.db2.gz IDJCJRIANXJUGB-VXGBXAGGSA-N 1 0 338.383 2.976 20 5 EFBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303663744 476245217 /nfs/dbraw/zinc/24/52/17/476245217.db2.gz IBTKVKZQSIFJPJ-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303663746 476245986 /nfs/dbraw/zinc/24/59/86/476245986.db2.gz IBTKVKZQSIFJPJ-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cs1 ZINC000344323190 476250219 /nfs/dbraw/zinc/25/02/19/476250219.db2.gz ZFMAMBPDWOEPPW-GXTWGEPZSA-N 1 0 342.367 2.983 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000357175571 476277539 /nfs/dbraw/zinc/27/75/39/476277539.db2.gz PCGUDZXPZSKAGE-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304310347 476278033 /nfs/dbraw/zinc/27/80/33/476278033.db2.gz KFXDNROUFZQRSC-AEFFLSMTSA-N 1 0 344.415 2.636 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038643 476285591 /nfs/dbraw/zinc/28/55/91/476285591.db2.gz ICTWJTSLXBMIKD-BMFZPTHFSA-N 1 0 346.431 2.528 20 5 EFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353813833 476285613 /nfs/dbraw/zinc/28/56/13/476285613.db2.gz HXKILINRPSBNEZ-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000353813832 476285875 /nfs/dbraw/zinc/28/58/75/476285875.db2.gz HXKILINRPSBNEZ-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCC2(O)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000353822887 476289888 /nfs/dbraw/zinc/28/98/88/476289888.db2.gz UZTVIPMEBNJFDY-MRXNPFEDSA-N 1 0 334.416 2.838 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000360077180 476290441 /nfs/dbraw/zinc/29/04/41/476290441.db2.gz BJDVSCXZZNALNW-GDBMZVCRSA-N 1 0 343.431 2.518 20 5 EFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1(C(=O)OC)CCC1 ZINC000353842688 476298456 /nfs/dbraw/zinc/29/84/56/476298456.db2.gz NDRKVTVXLCFUMH-OAHLLOKOSA-N 1 0 336.388 2.815 20 5 EFBDRO CC[N@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(C)C ZINC000357279421 476314315 /nfs/dbraw/zinc/31/43/15/476314315.db2.gz RJEAUPDQXZFHSV-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357298880 476320996 /nfs/dbraw/zinc/32/09/96/476320996.db2.gz FFGIIMVWHNRTEX-ZDUSSCGKSA-N 1 0 329.404 2.706 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353913435 476322831 /nfs/dbraw/zinc/32/28/31/476322831.db2.gz MWWVZDZTQUYHQJ-UONOGXRCSA-N 1 0 332.404 2.906 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000353925957 476327306 /nfs/dbraw/zinc/32/73/06/476327306.db2.gz ACQOGYPDDWQOLU-UHFFFAOYSA-N 1 0 332.404 2.906 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000357314878 476328113 /nfs/dbraw/zinc/32/81/13/476328113.db2.gz ZFQWKZWXVPMITO-FTGAXOIBSA-N 1 0 333.413 2.926 20 5 EFBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360647138 476328385 /nfs/dbraw/zinc/32/83/85/476328385.db2.gz NTPWTYGLONMJNA-CQSZACIVSA-N 1 0 342.399 2.709 20 5 EFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccs1 ZINC000357324318 476331473 /nfs/dbraw/zinc/33/14/73/476331473.db2.gz PTRCETXGLPMLTH-CYBMUJFWSA-N 1 0 343.412 2.736 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000357342770 476339351 /nfs/dbraw/zinc/33/93/51/476339351.db2.gz NCIXAJRZPFBZHD-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO Cc1c(-c2noc([C@H]3CCn4cncc4C3)n2)cccc1[N+](=O)[O-] ZINC000351143762 476346716 /nfs/dbraw/zinc/34/67/16/476346716.db2.gz GPYQWHKBIOAAFP-NSHDSACASA-N 1 0 325.328 2.880 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363390383 476360127 /nfs/dbraw/zinc/36/01/27/476360127.db2.gz JTHJRRFPJSYULJ-AWEZNQCLSA-N 1 0 346.431 2.530 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000357416349 476369288 /nfs/dbraw/zinc/36/92/88/476369288.db2.gz GZXCAZVBKFVAAD-NSHDSACASA-N 1 0 326.372 2.976 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)o2)c1 ZINC000360761710 476371364 /nfs/dbraw/zinc/37/13/64/476371364.db2.gz CLJFRZNGHZNBBV-CABCVRRESA-N 1 0 346.383 2.589 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000351258666 476382821 /nfs/dbraw/zinc/38/28/21/476382821.db2.gz ZJJMCGYZTPVXHN-GFCCVEGCSA-N 1 0 338.408 2.844 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357458249 476397330 /nfs/dbraw/zinc/39/73/30/476397330.db2.gz YWEMTTCZUQEEDS-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357473893 476403687 /nfs/dbraw/zinc/40/36/87/476403687.db2.gz WCBPJUKQGGVKBF-UHFFFAOYSA-N 1 0 337.395 2.608 20 5 EFBDRO CCOc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000362826906 476429295 /nfs/dbraw/zinc/42/92/95/476429295.db2.gz OZGZHFANBLHYER-OAHLLOKOSA-N 1 0 337.420 2.762 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363583139 476447670 /nfs/dbraw/zinc/44/76/70/476447670.db2.gz QJWJDPQCIYRHRD-XVJNWHFHSA-N 1 0 329.400 2.741 20 5 EFBDRO CC(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000354137852 476455131 /nfs/dbraw/zinc/45/51/31/476455131.db2.gz HZUNPIHGSVDKRN-QGZVFWFLSA-N 1 0 348.447 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000363622881 476464872 /nfs/dbraw/zinc/46/48/72/476464872.db2.gz CVXVXFLVYMYHPV-NWDGAFQWSA-N 1 0 345.321 2.889 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360902225 476466955 /nfs/dbraw/zinc/46/69/55/476466955.db2.gz WVTWBTRSQOCRRA-UHFFFAOYSA-N 1 0 335.452 2.820 20 5 EFBDRO CC[C@H](C(=O)OC(C)(C)C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369676586 476473297 /nfs/dbraw/zinc/47/32/97/476473297.db2.gz QSPILBRBJSRHSN-CYBMUJFWSA-N 1 0 338.408 2.549 20 5 EFBDRO COc1cccc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000363665664 476484567 /nfs/dbraw/zinc/48/45/67/476484567.db2.gz OVPVKWCMMPSZMZ-UHFFFAOYSA-N 1 0 344.415 2.755 20 5 EFBDRO Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363664958 476484851 /nfs/dbraw/zinc/48/48/51/476484851.db2.gz LKZVXRWNEPYCLK-UGSOOPFHSA-N 1 0 343.383 2.623 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000362927180 476486015 /nfs/dbraw/zinc/48/60/15/476486015.db2.gz GVNHLQYPLBSSDC-MFKMUULPSA-N 1 0 335.429 2.529 20 5 EFBDRO CNc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000360936764 476488070 /nfs/dbraw/zinc/48/80/70/476488070.db2.gz GWRXFNKKPOCIGR-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000360944814 476493288 /nfs/dbraw/zinc/49/32/88/476493288.db2.gz PCMNZAKZDNOYCW-SIIHOXLZSA-N 1 0 345.443 2.762 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000357623325 476496413 /nfs/dbraw/zinc/49/64/13/476496413.db2.gz AVGONUBWOUVGIS-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO Cc1noc(C2(C)CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000374732007 476506306 /nfs/dbraw/zinc/50/63/06/476506306.db2.gz CGYRMMITZRLHMS-UHFFFAOYSA-N 1 0 346.387 2.719 20 5 EFBDRO CC1CCC(O)(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000357661765 476523723 /nfs/dbraw/zinc/52/37/23/476523723.db2.gz IAVCDFPVOUMELM-UHFFFAOYSA-N 1 0 333.432 2.658 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000377705647 476533390 /nfs/dbraw/zinc/53/33/90/476533390.db2.gz ORMAWZBEQPBFBA-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000374835048 476549779 /nfs/dbraw/zinc/54/97/79/476549779.db2.gz VEPPVRBWRKNJRW-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354287990 476562710 /nfs/dbraw/zinc/56/27/10/476562710.db2.gz ASUJCSHGUDHYNU-CABCVRRESA-N 1 0 345.443 2.958 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363108780 476564212 /nfs/dbraw/zinc/56/42/12/476564212.db2.gz XXWNMRICUFFDRA-GJZGRUSLSA-N 1 0 346.431 2.772 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000361064049 476577750 /nfs/dbraw/zinc/57/77/50/476577750.db2.gz YWUYFAMPHMYYDV-UHFFFAOYSA-N 1 0 345.447 2.996 20 5 EFBDRO Cc1ccc(C[N@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000361072020 476581965 /nfs/dbraw/zinc/58/19/65/476581965.db2.gz DLKMOZILRFWTIV-UHFFFAOYSA-N 1 0 330.384 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374916802 476592445 /nfs/dbraw/zinc/59/24/45/476592445.db2.gz PSVYAQXTUKIVEP-SJLPKXTDSA-N 1 0 346.475 2.676 20 5 EFBDRO Cc1nc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000357777338 476595518 /nfs/dbraw/zinc/59/55/18/476595518.db2.gz HREATCRGWUHBCA-LLVKDONJSA-N 1 0 346.387 2.749 20 5 EFBDRO CC(=O)Oc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365510510 476597745 /nfs/dbraw/zinc/59/77/45/476597745.db2.gz KEGCNRWKKLTPMS-UHFFFAOYSA-N 1 0 344.371 2.554 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000354359407 476609155 /nfs/dbraw/zinc/60/91/55/476609155.db2.gz CGGVMJPSZNVFPW-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000361113568 476609293 /nfs/dbraw/zinc/60/92/93/476609293.db2.gz ZNZRZJSLUOIBOC-UKRRQHHQSA-N 1 0 346.431 2.725 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000361115833 476611175 /nfs/dbraw/zinc/61/11/75/476611175.db2.gz YLMOXVBVWKLZIH-UHFFFAOYSA-N 1 0 334.372 2.689 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000354372107 476617673 /nfs/dbraw/zinc/61/76/73/476617673.db2.gz LJTYBDCUOSGXHF-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000354383861 476625495 /nfs/dbraw/zinc/62/54/95/476625495.db2.gz GZUWLICUZJLWKQ-MLGOLLRUSA-N 1 0 330.388 2.653 20 5 EFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000354383856 476625566 /nfs/dbraw/zinc/62/55/66/476625566.db2.gz GZUWLICUZJLWKQ-BLLLJJGKSA-N 1 0 330.388 2.653 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375010964 476634598 /nfs/dbraw/zinc/63/45/98/476634598.db2.gz DDMPQMMGRIHSJY-HDMKZQKVSA-N 1 0 334.416 2.767 20 5 EFBDRO CNc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000361147919 476636193 /nfs/dbraw/zinc/63/61/93/476636193.db2.gz YGOYLORVMFCUDN-CYBMUJFWSA-N 1 0 348.428 2.731 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000365638335 476658962 /nfs/dbraw/zinc/65/89/62/476658962.db2.gz ZUQFHFXMZHRFEK-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354443192 476666030 /nfs/dbraw/zinc/66/60/30/476666030.db2.gz WTUMRVVBMLPUAV-GXTWGEPZSA-N 1 0 335.404 2.548 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370132597 476675985 /nfs/dbraw/zinc/67/59/85/476675985.db2.gz XKPSKDZVNIAIAT-CWRNSKLLSA-N 1 0 346.431 2.890 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000375110954 476679906 /nfs/dbraw/zinc/67/99/06/476679906.db2.gz APOQOPMENLLRSS-ZDUSSCGKSA-N 1 0 346.387 2.893 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000429774106 476687781 /nfs/dbraw/zinc/68/77/81/476687781.db2.gz MLAKROQGMHLHLF-ZFWWWQNUSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000378267587 476688503 /nfs/dbraw/zinc/68/85/03/476688503.db2.gz DIUYVLDECKKBDY-LBPRGKRZSA-N 1 0 329.385 2.903 20 5 EFBDRO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000456685076 476688981 /nfs/dbraw/zinc/68/89/81/476688981.db2.gz PZHBKEKOBUDLNP-GFCCVEGCSA-N 1 0 349.406 2.971 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354524333 476707327 /nfs/dbraw/zinc/70/73/27/476707327.db2.gz GIDVSXRONXOBFQ-OAHLLOKOSA-N 1 0 348.399 2.769 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000365804876 476709134 /nfs/dbraw/zinc/70/91/34/476709134.db2.gz HGMNVZNZMMEUOT-HUUCEWRRSA-N 1 0 343.431 2.956 20 5 EFBDRO COc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000429922792 476717056 /nfs/dbraw/zinc/71/70/56/476717056.db2.gz WQVNWGUUUFQORT-KBPBESRZSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000422628954 476722716 /nfs/dbraw/zinc/72/27/16/476722716.db2.gz CVMKQVUTVDTOHY-LSDHHAIUSA-N 1 0 331.416 2.673 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000429966117 476726297 /nfs/dbraw/zinc/72/62/97/476726297.db2.gz DVUGZIHUBHXSHB-SJCJKPOMSA-N 1 0 343.383 2.556 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365850082 476730723 /nfs/dbraw/zinc/73/07/23/476730723.db2.gz RHHQUIVNAICALZ-PIGZYNQJSA-N 1 0 344.371 2.553 20 5 EFBDRO C[C@@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242493 476733501 /nfs/dbraw/zinc/73/35/01/476733501.db2.gz ONNZAEVWIMIYMO-AWEZNQCLSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c(Br)cc1[N+](=O)[O-] ZINC000380390418 476735194 /nfs/dbraw/zinc/73/51/94/476735194.db2.gz YFIYYYVKOAZDTF-AWEZNQCLSA-N 1 0 340.221 2.856 20 5 EFBDRO CSc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375259285 476742201 /nfs/dbraw/zinc/74/22/01/476742201.db2.gz CLUXOOMXPWBQSH-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000382463313 476743362 /nfs/dbraw/zinc/74/33/62/476743362.db2.gz YHJBWXZJKVTPGW-BDAKNGLRSA-N 1 0 329.198 2.600 20 5 EFBDRO CCC1(CC)CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000445654228 476757367 /nfs/dbraw/zinc/75/73/67/476757367.db2.gz KKGFWKYRDDHSHP-OAHLLOKOSA-N 1 0 345.399 2.739 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452014013 476774632 /nfs/dbraw/zinc/77/46/32/476774632.db2.gz KBEIFIJOTHXZDX-TZMCWYRMSA-N 1 0 341.795 2.734 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000445822303 476774711 /nfs/dbraw/zinc/77/47/11/476774711.db2.gz QKDBGOAXSXZJGA-LSDHHAIUSA-N 1 0 333.432 2.907 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452012316 476775391 /nfs/dbraw/zinc/77/53/91/476775391.db2.gz LWDIMFAKZVCAFU-ZIAGYGMSSA-N 1 0 334.420 2.700 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430206583 476780530 /nfs/dbraw/zinc/78/05/30/476780530.db2.gz WYRZYOOBIIMGEE-CQSZACIVSA-N 1 0 349.431 2.732 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445932048 476796254 /nfs/dbraw/zinc/79/62/54/476796254.db2.gz JJFADPNYWJITPF-KRWDZBQOSA-N 1 0 345.443 2.718 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446033395 476810631 /nfs/dbraw/zinc/81/06/31/476810631.db2.gz MGCRYDYQQUXYDD-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452108701 476828664 /nfs/dbraw/zinc/82/86/64/476828664.db2.gz FJWNQJMWZITLPH-ZBFHGGJFSA-N 1 0 347.415 2.589 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000422891212 476830511 /nfs/dbraw/zinc/83/05/11/476830511.db2.gz USORNBCJIFLEBR-LBPRGKRZSA-N 1 0 343.383 2.943 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452123682 476842063 /nfs/dbraw/zinc/84/20/63/476842063.db2.gz VRLGXPQOGCQBFY-INIZCTEOSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397347528 476854725 /nfs/dbraw/zinc/85/47/25/476854725.db2.gz SOXHUOSFZIVOAJ-FOGDFJRCSA-N 1 0 325.796 2.694 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000457066931 476857213 /nfs/dbraw/zinc/85/72/13/476857213.db2.gz ZQSUMTHKXHENHD-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457071700 476858579 /nfs/dbraw/zinc/85/85/79/476858579.db2.gz HZXQLWMZDACORH-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000414063198 476860138 /nfs/dbraw/zinc/86/01/38/476860138.db2.gz CNBSYONCNVPYOM-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578745 476866199 /nfs/dbraw/zinc/86/61/99/476866199.db2.gz BHYVNLMYTUMCJV-KGLIPLIRSA-N 1 0 336.436 2.535 20 5 EFBDRO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452174028 476869246 /nfs/dbraw/zinc/86/92/46/476869246.db2.gz OQFSEQAMBKLBHH-STQMWFEESA-N 1 0 349.406 2.780 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414235205 476876949 /nfs/dbraw/zinc/87/69/49/476876949.db2.gz GURNCLUWLITGTJ-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457105378 476877609 /nfs/dbraw/zinc/87/76/09/476877609.db2.gz CFGFRMMFVQUDAU-INIZCTEOSA-N 1 0 333.432 2.814 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414332883 476878831 /nfs/dbraw/zinc/87/88/31/476878831.db2.gz FFJFYGYALSZVFK-QWHCGFSZSA-N 1 0 339.461 2.968 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000457112366 476882106 /nfs/dbraw/zinc/88/21/06/476882106.db2.gz JESMOTAYHDOBIJ-CYBMUJFWSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430626201 476883291 /nfs/dbraw/zinc/88/32/91/476883291.db2.gz LOKMBNLFFGBKAH-CJNGLKHVSA-N 1 0 344.415 2.994 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000414704416 476888732 /nfs/dbraw/zinc/88/87/32/476888732.db2.gz NFTXJJHNJHQIJV-KGLIPLIRSA-N 1 0 332.404 2.757 20 5 EFBDRO COC[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]1 ZINC000414948057 476896825 /nfs/dbraw/zinc/89/68/25/476896825.db2.gz WPPJPOGJXHAKTE-GOSISDBHSA-N 1 0 345.399 2.713 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414960616 476903308 /nfs/dbraw/zinc/90/33/08/476903308.db2.gz UEPCGHXIDUICNE-GOSISDBHSA-N 1 0 341.411 2.970 20 5 EFBDRO C[N@H+](CCCCNC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457191729 476918583 /nfs/dbraw/zinc/91/85/83/476918583.db2.gz XNLCZTBKFHQMMM-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1cc(OCC(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000430806344 476919867 /nfs/dbraw/zinc/91/98/67/476919867.db2.gz IAWATKXOQUWVRM-UHFFFAOYSA-N 1 0 349.431 2.520 20 5 EFBDRO C[N@H+](CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457204010 476925391 /nfs/dbraw/zinc/92/53/91/476925391.db2.gz PCNMHFSFUSXXFK-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415502778 476930980 /nfs/dbraw/zinc/93/09/80/476930980.db2.gz NWVDGOHATAVBCQ-UONOGXRCSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415510066 476932710 /nfs/dbraw/zinc/93/27/10/476932710.db2.gz YAHPNGRKPPINGI-AWEZNQCLSA-N 1 0 332.404 2.757 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408099419 476939173 /nfs/dbraw/zinc/93/91/73/476939173.db2.gz LOMAVDYJVXTFSZ-MJBXVCDLSA-N 1 0 335.452 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)s2)cc1 ZINC000447068668 476947845 /nfs/dbraw/zinc/94/78/45/476947845.db2.gz MEXVCSOSGQQZCM-QGZVFWFLSA-N 1 0 348.424 2.954 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415657257 476949300 /nfs/dbraw/zinc/94/93/00/476949300.db2.gz LXXKROPJKHZBIW-SMDDNHRTSA-N 1 0 336.392 2.727 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cn3ccccc3n2)n1 ZINC000447505800 477000026 /nfs/dbraw/zinc/00/00/26/477000026.db2.gz ASTWWXZHNQOIPZ-GJZGRUSLSA-N 1 0 340.387 2.713 20 5 EFBDRO CC(C)N(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447510626 477000557 /nfs/dbraw/zinc/00/05/57/477000557.db2.gz PYHBZXUNORSGNK-HZPDHXFCSA-N 1 0 337.468 2.983 20 5 EFBDRO CN(C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447510415 477000772 /nfs/dbraw/zinc/00/07/72/477000772.db2.gz YUDMMSHHXMHZKJ-LSDHHAIUSA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)o1 ZINC000447581473 477017223 /nfs/dbraw/zinc/01/72/23/477017223.db2.gz URUCCWRNFWVSIF-GJZGRUSLSA-N 1 0 333.392 2.712 20 5 EFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000366475452 477026544 /nfs/dbraw/zinc/02/65/44/477026544.db2.gz PWRFAIMETQMJKZ-UHFFFAOYSA-N 1 0 328.796 2.781 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439864 477033361 /nfs/dbraw/zinc/03/33/61/477033361.db2.gz IHSVCLQDFNLBOA-AWEZNQCLSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000423507392 477053085 /nfs/dbraw/zinc/05/30/85/477053085.db2.gz QAHZQERSNRRZMR-NXEZZACHSA-N 1 0 343.836 2.549 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431576085 477054563 /nfs/dbraw/zinc/05/45/63/477054563.db2.gz SMGJAWFLGMDVPD-DZGCQCFKSA-N 1 0 349.431 2.519 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514494 477057546 /nfs/dbraw/zinc/05/75/46/477057546.db2.gz DDBCEFXGOSMHMQ-OLZOCXBDSA-N 1 0 347.440 2.962 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534147 477066683 /nfs/dbraw/zinc/06/66/83/477066683.db2.gz VIVHPKFGUNNAIX-JCGIZDLHSA-N 1 0 325.412 2.871 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000431666440 477072237 /nfs/dbraw/zinc/07/22/37/477072237.db2.gz TYLBXHPCNIQZGL-OCCSQVGLSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000375903510 477072933 /nfs/dbraw/zinc/07/29/33/477072933.db2.gz SFAOZMTZHICJBD-XHDPSFHLSA-N 1 0 337.807 2.947 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000423579200 477074397 /nfs/dbraw/zinc/07/43/97/477074397.db2.gz VWOKINGMJQTZJP-BPUTZDHNSA-N 1 0 331.416 2.918 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000447898931 477087280 /nfs/dbraw/zinc/08/72/80/477087280.db2.gz ZZGXYZUQHOBDMW-CQSZACIVSA-N 1 0 338.383 2.976 20 5 EFBDRO COc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)cc([N+](=O)[O-])c1C ZINC000423633228 477094762 /nfs/dbraw/zinc/09/47/62/477094762.db2.gz AXWIYNFGNFJPLR-UHFFFAOYSA-N 1 0 349.431 2.893 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000431783397 477095996 /nfs/dbraw/zinc/09/59/96/477095996.db2.gz SLZQWNIPWDTGQZ-HOTGVXAUSA-N 1 0 346.431 2.756 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000366612337 477096510 /nfs/dbraw/zinc/09/65/10/477096510.db2.gz YTTAPDACHSYYFP-XJKSGUPXSA-N 1 0 330.388 2.883 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000366611869 477096670 /nfs/dbraw/zinc/09/66/70/477096670.db2.gz XEQZJHKHESFLMA-SFHVURJKSA-N 1 0 346.358 2.836 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371065456 477106192 /nfs/dbraw/zinc/10/61/92/477106192.db2.gz PAMPWJRQOLKBBL-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCO3)s2)cc1 ZINC000447974068 477108203 /nfs/dbraw/zinc/10/82/03/477108203.db2.gz WGIZCLJLZBLSAI-JKSUJKDBSA-N 1 0 348.424 2.953 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000423692559 477110254 /nfs/dbraw/zinc/11/02/54/477110254.db2.gz CONZTYSYPLCIEO-GFCCVEGCSA-N 1 0 337.445 2.969 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2c(c1)COCO2 ZINC000371072649 477110636 /nfs/dbraw/zinc/11/06/36/477110636.db2.gz DHJIGWBVXPJNCV-CQSZACIVSA-N 1 0 348.399 2.710 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423693229 477111518 /nfs/dbraw/zinc/11/15/18/477111518.db2.gz FAASTKVHDLFWKS-NWDGAFQWSA-N 1 0 337.445 2.954 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308755 477118659 /nfs/dbraw/zinc/11/86/59/477118659.db2.gz RXAXTHOEQOXTSD-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448028091 477118911 /nfs/dbraw/zinc/11/89/11/477118911.db2.gz BHITWPMJEUZRGW-MRXNPFEDSA-N 1 0 348.447 2.857 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026614 477119907 /nfs/dbraw/zinc/11/99/07/477119907.db2.gz JBQIGZOXFOYULG-PMPSAXMXSA-N 1 0 349.479 2.985 20 5 EFBDRO CN1CCC2(CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1=O ZINC000376048545 477149683 /nfs/dbraw/zinc/14/96/83/477149683.db2.gz ZHOLJGCKGAZHFF-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432142058 477166151 /nfs/dbraw/zinc/16/61/51/477166151.db2.gz XSLFDUNDZOEPSC-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411281375 477181312 /nfs/dbraw/zinc/18/13/12/477181312.db2.gz HAYLUZIYIHXJST-SFHVURJKSA-N 1 0 349.431 2.844 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423849069 477184797 /nfs/dbraw/zinc/18/47/97/477184797.db2.gz QCZYQOHYFAAGJE-YGRLFVJLSA-N 1 0 325.796 2.772 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000453200324 477190682 /nfs/dbraw/zinc/19/06/82/477190682.db2.gz QSTMZDUSUKXXRX-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341913 477198013 /nfs/dbraw/zinc/19/80/13/477198013.db2.gz CVSXMJCWDLZBAN-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263874 477202145 /nfs/dbraw/zinc/20/21/45/477202145.db2.gz UKXPGFCKPDPGCF-ROUUACIJSA-N 1 0 335.448 2.872 20 5 EFBDRO CC(C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000411376545 477210077 /nfs/dbraw/zinc/21/00/77/477210077.db2.gz UIVZEGMNFSBPTR-UHFFFAOYSA-N 1 0 334.401 2.905 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC)CC1 ZINC000371274275 477210967 /nfs/dbraw/zinc/21/09/67/477210967.db2.gz DLLKVTYODAKWMO-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345524 477211117 /nfs/dbraw/zinc/21/11/17/477211117.db2.gz KENLYTREFCUJKI-RFGFWPKPSA-N 1 0 330.392 2.767 20 5 EFBDRO Cc1c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000371292261 477221964 /nfs/dbraw/zinc/22/19/64/477221964.db2.gz BIFMTEDKDIDJAD-RYQLBKOJSA-N 1 0 333.432 2.587 20 5 EFBDRO Cc1c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000371292259 477221987 /nfs/dbraw/zinc/22/19/87/477221987.db2.gz BIFMTEDKDIDJAD-CGTJXYLNSA-N 1 0 333.432 2.587 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423937008 477224605 /nfs/dbraw/zinc/22/46/05/477224605.db2.gz FRFNPIPUOLWPTC-QGZVFWFLSA-N 1 0 341.411 2.824 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423937007 477224886 /nfs/dbraw/zinc/22/48/86/477224886.db2.gz FRFNPIPUOLWPTC-KRWDZBQOSA-N 1 0 341.411 2.824 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000411417144 477226924 /nfs/dbraw/zinc/22/69/24/477226924.db2.gz DXBUAVODJKEPFS-IDCJVQTKSA-N 1 0 345.443 2.935 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411416429 477227047 /nfs/dbraw/zinc/22/70/47/477227047.db2.gz OJDOXPANPVIOKH-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000457843629 477227916 /nfs/dbraw/zinc/22/79/16/477227916.db2.gz BKJRACINQLKBJE-CZUORRHYSA-N 1 0 334.420 2.780 20 5 EFBDRO Cc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000453428047 477230127 /nfs/dbraw/zinc/23/01/27/477230127.db2.gz OZEUOTWBZAJHEH-CQSZACIVSA-N 1 0 342.399 2.848 20 5 EFBDRO O=C(CC[N@H+](Cc1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411426791 477230767 /nfs/dbraw/zinc/23/07/67/477230767.db2.gz YZLRKUQMKVDIPB-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411430225 477232884 /nfs/dbraw/zinc/23/28/84/477232884.db2.gz VPHKPIAGMPVAGC-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411448210 477239621 /nfs/dbraw/zinc/23/96/21/477239621.db2.gz WSAXCFNKQMUZFE-KRWDZBQOSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000453588181 477242625 /nfs/dbraw/zinc/24/26/25/477242625.db2.gz YNJHWBHFCOHYHM-GFCCVEGCSA-N 1 0 338.404 2.907 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000423983291 477245843 /nfs/dbraw/zinc/24/58/43/477245843.db2.gz SSCJWCDKIKVITE-HNNXBMFYSA-N 1 0 343.383 2.596 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423989130 477248575 /nfs/dbraw/zinc/24/85/75/477248575.db2.gz YGGGDKNAKYVHST-INIZCTEOSA-N 1 0 327.384 2.895 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453608744 477249458 /nfs/dbraw/zinc/24/94/58/477249458.db2.gz AZMFUSIDIWMRHA-HOCLYGCPSA-N 1 0 331.416 2.961 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453608743 477249499 /nfs/dbraw/zinc/24/94/99/477249499.db2.gz AZMFUSIDIWMRHA-GOEBONIOSA-N 1 0 331.416 2.961 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411501205 477256511 /nfs/dbraw/zinc/25/65/11/477256511.db2.gz AQDDNNNKCPGABC-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411507060 477258392 /nfs/dbraw/zinc/25/83/92/477258392.db2.gz ZFDLKNFIDBWZQU-QGZVFWFLSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424031763 477266434 /nfs/dbraw/zinc/26/64/34/477266434.db2.gz ICUKOAJJMPYBOE-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000424036452 477267877 /nfs/dbraw/zinc/26/78/77/477267877.db2.gz FEIHGNCLCRUKSW-SFHVURJKSA-N 1 0 345.443 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424047457 477273080 /nfs/dbraw/zinc/27/30/80/477273080.db2.gz VAGDRQJRZPZCFX-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424055154 477275455 /nfs/dbraw/zinc/27/54/55/477275455.db2.gz QWMKQAJSDCDJCE-LOWVWBTDSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C[NH3+] ZINC000424053818 477275512 /nfs/dbraw/zinc/27/55/12/477275512.db2.gz ADODEERBQNVQBE-WZRBSPASSA-N 1 0 331.372 2.786 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000366963751 477278219 /nfs/dbraw/zinc/27/82/19/477278219.db2.gz REKFOCQRTPXFNY-AWEZNQCLSA-N 1 0 343.339 2.986 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411576487 477281094 /nfs/dbraw/zinc/28/10/94/477281094.db2.gz ZGWRXRBNEHEBQC-IUODEOHRSA-N 1 0 333.388 2.806 20 5 EFBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411601160 477289849 /nfs/dbraw/zinc/28/98/49/477289849.db2.gz GHNGVMAGLKRRNA-ZDUSSCGKSA-N 1 0 335.404 2.549 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411604459 477291116 /nfs/dbraw/zinc/29/11/16/477291116.db2.gz NWEDQAKBLCGCNU-KJWYOANISA-N 1 0 345.443 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1F ZINC000366998525 477291338 /nfs/dbraw/zinc/29/13/38/477291338.db2.gz XBYNOQKSUXYJCG-QGZVFWFLSA-N 1 0 334.322 2.967 20 5 EFBDRO C[C@H]1COCCN1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168294 477314394 /nfs/dbraw/zinc/31/43/94/477314394.db2.gz MGIKHNCTDZULCR-GUYCJALGSA-N 1 0 333.432 2.628 20 5 EFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000458201258 477316637 /nfs/dbraw/zinc/31/66/37/477316637.db2.gz LTCQJQJGGIPDFE-UHFFFAOYSA-N 1 0 333.413 2.860 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433228542 477318210 /nfs/dbraw/zinc/31/82/10/477318210.db2.gz BBIIYXMHAZECQQ-YJBOKZPZSA-N 1 0 345.443 2.770 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433280894 477320808 /nfs/dbraw/zinc/32/08/08/477320808.db2.gz GIXAEPOPNSPNEA-MLGOLLRUSA-N 1 0 331.416 2.916 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)CCc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424236808 477338170 /nfs/dbraw/zinc/33/81/70/477338170.db2.gz LRDKEOPRXFJHQX-CQSZACIVSA-N 1 0 331.416 2.518 20 5 EFBDRO CC1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000434708476 477338498 /nfs/dbraw/zinc/33/84/98/477338498.db2.gz VGRGLAZCIHIPOU-OAHLLOKOSA-N 1 0 349.456 2.918 20 5 EFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000371471074 477338468 /nfs/dbraw/zinc/33/84/68/477338468.db2.gz QPKQAAULVGWYAX-FREOELDLSA-N 1 0 345.443 2.792 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000411735845 477349600 /nfs/dbraw/zinc/34/96/00/477349600.db2.gz KPCKCLJPIGOQGT-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000411772300 477361916 /nfs/dbraw/zinc/36/19/16/477361916.db2.gz SZDLYGDWXLKLHA-KRWDZBQOSA-N 1 0 349.431 2.700 20 5 EFBDRO [NH3+]C1(c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424349900 477378692 /nfs/dbraw/zinc/37/86/92/477378692.db2.gz WUSILNZBTVJKJJ-UHFFFAOYSA-N 1 0 344.371 2.911 20 5 EFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411828242 477384215 /nfs/dbraw/zinc/38/42/15/477384215.db2.gz UZZRIEANCGKFMW-INIZCTEOSA-N 1 0 335.404 2.814 20 5 EFBDRO COc1cc(F)cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449029589 477399713 /nfs/dbraw/zinc/39/97/13/477399713.db2.gz PBITXUGOVUOPAR-AWEZNQCLSA-N 1 0 346.362 2.824 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000412088278 477410175 /nfs/dbraw/zinc/41/01/75/477410175.db2.gz BGZHDRLMUNKFAI-OKZBNKHCSA-N 1 0 343.427 2.785 20 5 EFBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@H](C)C1 ZINC000412343202 477417436 /nfs/dbraw/zinc/41/74/36/477417436.db2.gz VQUFAVMCXMLHRV-CYBMUJFWSA-N 1 0 335.404 2.548 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449071978 477421436 /nfs/dbraw/zinc/42/14/36/477421436.db2.gz CXXIHRFZLNSZAF-CYBMUJFWSA-N 1 0 327.384 2.675 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000449073590 477422568 /nfs/dbraw/zinc/42/25/68/477422568.db2.gz SGUCXVLUDYKHCH-BZUAXINKSA-N 1 0 335.448 2.615 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449084550 477429839 /nfs/dbraw/zinc/42/98/39/477429839.db2.gz HZPQWSUAJQQPDH-HNNXBMFYSA-N 1 0 341.411 2.854 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000367282935 477430934 /nfs/dbraw/zinc/43/09/34/477430934.db2.gz QABOMJWJLMQYLU-KIAIAAEYSA-N 1 0 326.352 2.692 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000412558111 477432926 /nfs/dbraw/zinc/43/29/26/477432926.db2.gz KKVPZBMNUZSZFJ-UHFFFAOYSA-N 1 0 349.366 2.723 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000449090561 477434478 /nfs/dbraw/zinc/43/44/78/477434478.db2.gz GZQXOAMDGZCQGC-NVXWUHKLSA-N 1 0 328.412 2.967 20 5 EFBDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449115326 477445343 /nfs/dbraw/zinc/44/53/43/477445343.db2.gz LJRDWAJPNOALEY-HIFRSBDPSA-N 1 0 343.431 2.845 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000367351087 477466942 /nfs/dbraw/zinc/46/69/42/477466942.db2.gz BJNDNGNYLCYPMH-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000367352788 477467465 /nfs/dbraw/zinc/46/74/65/477467465.db2.gz BHECCDURIIZXEN-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449181983 477472581 /nfs/dbraw/zinc/47/25/81/477472581.db2.gz AIFBGEUNRZJNLZ-UONOGXRCSA-N 1 0 349.456 2.778 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000449196917 477479825 /nfs/dbraw/zinc/47/98/25/477479825.db2.gz UHMFQTQZPJEHGC-ZBFHGGJFSA-N 1 0 334.416 2.844 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367377883 477482158 /nfs/dbraw/zinc/48/21/58/477482158.db2.gz HJBNPVWVDXRAHL-CYBMUJFWSA-N 1 0 349.456 2.678 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202304 477483604 /nfs/dbraw/zinc/48/36/04/477483604.db2.gz JVJXPLHOFGZTCE-NEPJUHHUSA-N 1 0 337.807 2.710 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413049796 477486801 /nfs/dbraw/zinc/48/68/01/477486801.db2.gz CLBHYPCAVXFANK-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413053681 477489917 /nfs/dbraw/zinc/48/99/17/477489917.db2.gz KOSGKRLBGCAKMZ-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000449215931 477491263 /nfs/dbraw/zinc/49/12/63/477491263.db2.gz PHTBWMDEBCVHAB-ZBFHGGJFSA-N 1 0 326.400 2.789 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000449215929 477491528 /nfs/dbraw/zinc/49/15/28/477491528.db2.gz PHTBWMDEBCVHAB-HOCLYGCPSA-N 1 0 326.400 2.789 20 5 EFBDRO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455101338 477499077 /nfs/dbraw/zinc/49/90/77/477499077.db2.gz HSBDBLPQLMRECM-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413110113 477523694 /nfs/dbraw/zinc/52/36/94/477523694.db2.gz HAMATWSNHVRWGO-UHFFFAOYSA-N 1 0 332.326 2.975 20 5 EFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000371857475 477528423 /nfs/dbraw/zinc/52/84/23/477528423.db2.gz FXFAALUAROOMCM-INIZCTEOSA-N 1 0 341.415 2.733 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413136979 477539752 /nfs/dbraw/zinc/53/97/52/477539752.db2.gz HSZRXWRFAOEMSL-IUODEOHRSA-N 1 0 340.399 2.678 20 5 EFBDRO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000458693619 477550544 /nfs/dbraw/zinc/55/05/44/477550544.db2.gz NXRLLQIAUSEOFY-OAHLLOKOSA-N 1 0 334.420 2.527 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413169403 477551339 /nfs/dbraw/zinc/55/13/39/477551339.db2.gz KSZAUOYSDMTWHL-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000449343751 477556868 /nfs/dbraw/zinc/55/68/68/477556868.db2.gz MUFFYKGOJOQTRP-AETAKHFUSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449360835 477561617 /nfs/dbraw/zinc/56/16/17/477561617.db2.gz JSSOOYATKTZTEY-DYVFJYSZSA-N 1 0 332.375 2.858 20 5 EFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413194446 477565244 /nfs/dbraw/zinc/56/52/44/477565244.db2.gz BKRHODOMKNJHAJ-MRXNPFEDSA-N 1 0 334.351 2.510 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449664172 477569808 /nfs/dbraw/zinc/56/98/08/477569808.db2.gz PMIURZUVCORXCC-ZDUSSCGKSA-N 1 0 341.358 2.619 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000419888944 477584507 /nfs/dbraw/zinc/58/45/07/477584507.db2.gz GLUUKKPVTXRJDZ-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413266516 477599482 /nfs/dbraw/zinc/59/94/82/477599482.db2.gz MDOJPRWXKCHPIV-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCn1ccnc1[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000455456140 477641429 /nfs/dbraw/zinc/64/14/29/477641429.db2.gz OYTSRRUODKEQPQ-LBPRGKRZSA-N 1 0 331.376 2.714 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250214 477648885 /nfs/dbraw/zinc/64/88/85/477648885.db2.gz ZFJMKVXRBQUFCK-MRXNPFEDSA-N 1 0 348.447 2.923 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420263900 477652021 /nfs/dbraw/zinc/65/20/21/477652021.db2.gz TVOBMYWXIAKKBS-GHMZBOCLSA-N 1 0 329.322 2.968 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372156235 477666165 /nfs/dbraw/zinc/66/61/65/477666165.db2.gz NLWHHWIULSKTRU-HUUCEWRRSA-N 1 0 347.415 2.590 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372156234 477667222 /nfs/dbraw/zinc/66/72/22/477667222.db2.gz NLWHHWIULSKTRU-GJZGRUSLSA-N 1 0 347.415 2.590 20 5 EFBDRO O=C(CCN1CC[NH2+]CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000420319632 477690527 /nfs/dbraw/zinc/69/05/27/477690527.db2.gz PHZVAZDGTOGRTH-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC000367839095 477713307 /nfs/dbraw/zinc/71/33/07/477713307.db2.gz JYOCIUXREKFKAB-FICVDOATSA-N 1 0 330.409 2.993 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450797162 477720541 /nfs/dbraw/zinc/72/05/41/477720541.db2.gz WNLJUSAXOAMTGQ-TXEJJXNPSA-N 1 0 345.321 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C(F)(F)F)c1 ZINC000450794657 477720953 /nfs/dbraw/zinc/72/09/53/477720953.db2.gz RZIWDOPVAARNPM-TXEJJXNPSA-N 1 0 345.321 2.889 20 5 EFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000450811149 477725804 /nfs/dbraw/zinc/72/58/04/477725804.db2.gz NDQMEHWJASYCIY-HNNXBMFYSA-N 1 0 326.400 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CN)C1CCCCC1 ZINC000420380225 477735017 /nfs/dbraw/zinc/73/50/17/477735017.db2.gz YFQBHCPJKUIDMC-KRWDZBQOSA-N 1 0 348.447 2.729 20 5 EFBDRO CC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000450888225 477749275 /nfs/dbraw/zinc/74/92/75/477749275.db2.gz ZXEWXCKSXUMYLT-UHFFFAOYSA-N 1 0 328.372 2.831 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000426892905 477756312 /nfs/dbraw/zinc/75/63/12/477756312.db2.gz BTPOZSUEKAQOKP-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000426892847 477757170 /nfs/dbraw/zinc/75/71/70/477757170.db2.gz BKJVZLOTQRYPPN-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413669324 477774035 /nfs/dbraw/zinc/77/40/35/477774035.db2.gz LOEONUSNHQZLRX-JEBQAFNWSA-N 1 0 345.443 2.887 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cncn4)C3)o2)cc1 ZINC000372367070 477776498 /nfs/dbraw/zinc/77/64/98/477776498.db2.gz LWHULNPZJUZNQB-HNNXBMFYSA-N 1 0 339.355 2.893 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420904597 477808919 /nfs/dbraw/zinc/80/89/19/477808919.db2.gz PXSIKMRDROIYCD-UHFFFAOYSA-N 1 0 334.420 2.609 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459266022 477811602 /nfs/dbraw/zinc/81/16/02/477811602.db2.gz OXYCRPRKWSYQSS-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459266023 477812150 /nfs/dbraw/zinc/81/21/50/477812150.db2.gz OXYCRPRKWSYQSS-CQSZACIVSA-N 1 0 348.447 2.861 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493790328 477825016 /nfs/dbraw/zinc/82/50/16/477825016.db2.gz YEVLRYUBVPKANI-LPZVBRGNSA-N 1 0 347.390 2.690 20 5 EFBDRO CCOC(=O)C[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000428136692 477825775 /nfs/dbraw/zinc/82/57/75/477825775.db2.gz VGNFVBSGTDCIKS-LLVKDONJSA-N 1 0 331.372 2.875 20 5 EFBDRO COc1ccc2nc(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000451106703 477826601 /nfs/dbraw/zinc/82/66/01/477826601.db2.gz XFQJJSAYGLDJIG-JTQLQIEISA-N 1 0 327.344 2.726 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420939185 477841338 /nfs/dbraw/zinc/84/13/38/477841338.db2.gz LRBNGJWBKOGHNJ-UPJWGTAASA-N 1 0 346.387 2.656 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000438570300 477866695 /nfs/dbraw/zinc/86/66/95/477866695.db2.gz VPTJZTJLTDOAQV-UHFFFAOYSA-N 1 0 345.403 2.798 20 5 EFBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000451199904 477872335 /nfs/dbraw/zinc/87/23/35/477872335.db2.gz IEWYVXKGZKDHLE-QGZVFWFLSA-N 1 0 335.404 2.590 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220387 477885859 /nfs/dbraw/zinc/88/58/59/477885859.db2.gz VPZMUYHPNYTICQ-CYBMUJFWSA-N 1 0 349.431 2.717 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420999411 477887176 /nfs/dbraw/zinc/88/71/76/477887176.db2.gz UUKKYRWYIASXIU-AWEZNQCLSA-N 1 0 337.326 2.743 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456373442 477894121 /nfs/dbraw/zinc/89/41/21/477894121.db2.gz IOTSGTGPJIHRTH-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccsc1 ZINC000421009660 477895769 /nfs/dbraw/zinc/89/57/69/477895769.db2.gz NHXRRDFMIGZNHE-WFASDCNBSA-N 1 0 338.433 2.685 20 5 EFBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451242526 477897876 /nfs/dbraw/zinc/89/78/76/477897876.db2.gz MTCYFDZHYSAXRS-HNNXBMFYSA-N 1 0 331.372 2.949 20 5 EFBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000421013821 477901796 /nfs/dbraw/zinc/90/17/96/477901796.db2.gz KGYMQALGBDDJIK-DOMZBBRYSA-N 1 0 331.372 2.638 20 5 EFBDRO COC1([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000421028691 477917529 /nfs/dbraw/zinc/91/75/29/477917529.db2.gz HSMZZUGTFAISBN-JTQLQIEISA-N 1 0 330.331 2.547 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000462769220 477918918 /nfs/dbraw/zinc/91/89/18/477918918.db2.gz XVIWXPLDFDOILP-QGZVFWFLSA-N 1 0 347.459 2.964 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421033187 477921694 /nfs/dbraw/zinc/92/16/94/477921694.db2.gz AGIJWMKTPZXCCQ-NSHDSACASA-N 1 0 326.784 2.806 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000428541795 477924155 /nfs/dbraw/zinc/92/41/55/477924155.db2.gz CTOONODKUWZKFK-QZTJIDSGSA-N 1 0 330.359 2.990 20 5 EFBDRO C[NH+](C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCCCCC1 ZINC000439098084 477928777 /nfs/dbraw/zinc/92/87/77/477928777.db2.gz GGWUBFRKMISTIM-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000428695404 477962178 /nfs/dbraw/zinc/96/21/78/477962178.db2.gz VULALPMSVVKWJL-ZDUSSCGKSA-N 1 0 331.376 2.565 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000494375874 477973384 /nfs/dbraw/zinc/97/33/84/477973384.db2.gz RWLHADYJXPFMBE-HEHGZKQESA-N 1 0 332.404 2.789 20 5 EFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428741797 477973562 /nfs/dbraw/zinc/97/35/62/477973562.db2.gz AZDIUOKARXZYAL-UHFFFAOYSA-N 1 0 335.404 2.814 20 5 EFBDRO CON1CCC([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000459582762 477990248 /nfs/dbraw/zinc/99/02/48/477990248.db2.gz RKZGELICWFHRFX-UHFFFAOYSA-N 1 0 346.387 2.707 20 5 EFBDRO CC(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000459589315 477993675 /nfs/dbraw/zinc/99/36/75/477993675.db2.gz HYSMKXKFNCFIEJ-UHFFFAOYSA-N 1 0 332.404 2.865 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000439510607 477993779 /nfs/dbraw/zinc/99/37/79/477993779.db2.gz GZKIURKRTJNTKG-BYCMXARLSA-N 1 0 335.404 2.633 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000494480335 477994491 /nfs/dbraw/zinc/99/44/91/477994491.db2.gz ZDQLNDYCDUQFSX-NVXWUHKLSA-N 1 0 335.448 2.616 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451412984 478000447 /nfs/dbraw/zinc/00/04/47/478000447.db2.gz GQENQGWDLREBDO-UNEWFSDZSA-N 1 0 347.415 2.549 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439615281 478007232 /nfs/dbraw/zinc/00/72/32/478007232.db2.gz FOZQPVVRHAIWIT-KSYCFECVSA-N 1 0 347.415 2.715 20 5 EFBDRO O=C1CCCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000559984151 478010424 /nfs/dbraw/zinc/01/04/24/478010424.db2.gz AYVBTTXVEAGXBG-QGZVFWFLSA-N 1 0 331.416 2.964 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439650010 478014217 /nfs/dbraw/zinc/01/42/17/478014217.db2.gz REXSYVFHTJSHKM-AEAUEXCSSA-N 1 0 347.415 2.715 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428993999 478024713 /nfs/dbraw/zinc/02/47/13/478024713.db2.gz DUYVILKJIAINRT-CKEIUWERSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000428999579 478030847 /nfs/dbraw/zinc/03/08/47/478030847.db2.gz VDSPKHHVCBKGDJ-WWGRRREGSA-N 1 0 344.415 2.898 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451480109 478039021 /nfs/dbraw/zinc/03/90/21/478039021.db2.gz PAOXLQXOBAUYFZ-CSMYWGQOSA-N 1 0 347.415 2.717 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451480111 478040076 /nfs/dbraw/zinc/04/00/76/478040076.db2.gz PAOXLQXOBAUYFZ-JLZZUVOBSA-N 1 0 347.415 2.717 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000451478616 478040378 /nfs/dbraw/zinc/04/03/78/478040378.db2.gz JXOPERBCNJTFFV-GJZGRUSLSA-N 1 0 347.415 2.779 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451480793 478041712 /nfs/dbraw/zinc/04/17/12/478041712.db2.gz QBXGOWBIEZCPHQ-APHBMKBZSA-N 1 0 347.415 2.859 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451481507 478041826 /nfs/dbraw/zinc/04/18/26/478041826.db2.gz RHHGYGYSEZBQRY-CVEARBPZSA-N 1 0 347.415 2.779 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451490335 478046683 /nfs/dbraw/zinc/04/66/83/478046683.db2.gz HVCVQWHDHKCHEX-GJZGRUSLSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451491253 478047572 /nfs/dbraw/zinc/04/75/72/478047572.db2.gz BFAXPYHUBTWFRU-XFBWCDHKSA-N 1 0 335.404 2.573 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421353627 478047587 /nfs/dbraw/zinc/04/75/87/478047587.db2.gz TXVBMJDMKZTYNH-XYPYZODXSA-N 1 0 325.796 2.630 20 5 EFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C2 ZINC000459712984 478054122 /nfs/dbraw/zinc/05/41/22/478054122.db2.gz WVPNJXHZKMDMQK-ZDUSSCGKSA-N 1 0 344.367 2.575 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000451509928 478059624 /nfs/dbraw/zinc/05/96/24/478059624.db2.gz XIYSKXSDRADZER-HZPDHXFCSA-N 1 0 344.415 2.802 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451512750 478060630 /nfs/dbraw/zinc/06/06/30/478060630.db2.gz XZQKREGFPHUHJC-LSDHHAIUSA-N 1 0 335.404 2.635 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000459728876 478061182 /nfs/dbraw/zinc/06/11/82/478061182.db2.gz CRQMRXLSQUCBHT-HZPDHXFCSA-N 1 0 336.388 2.659 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1(O)CCC1 ZINC000421380346 478063709 /nfs/dbraw/zinc/06/37/09/478063709.db2.gz VJVDIUMSTCNHHW-CYBMUJFWSA-N 1 0 335.404 2.597 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451523065 478063846 /nfs/dbraw/zinc/06/38/46/478063846.db2.gz CGRTUDNNMQJLOP-XJKSGUPXSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1(O)CCC1 ZINC000421380347 478064211 /nfs/dbraw/zinc/06/42/11/478064211.db2.gz VJVDIUMSTCNHHW-ZDUSSCGKSA-N 1 0 335.404 2.597 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451523436 478064684 /nfs/dbraw/zinc/06/46/84/478064684.db2.gz CWYQWZFBMAEPCS-WMLDXEAASA-N 1 0 349.431 2.979 20 5 EFBDRO CCO[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000451523235 478064697 /nfs/dbraw/zinc/06/46/97/478064697.db2.gz JAKLLNVMBLSKGA-DOMZBBRYSA-N 1 0 346.387 2.892 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459734203 478065427 /nfs/dbraw/zinc/06/54/27/478065427.db2.gz GXGXWQPCNKRXTF-APHBMKBZSA-N 1 0 347.415 2.859 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451523438 478066418 /nfs/dbraw/zinc/06/64/18/478066418.db2.gz CWYQWZFBMAEPCS-YOEHRIQHSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000533349130 478068001 /nfs/dbraw/zinc/06/80/01/478068001.db2.gz RJAGYUQNSAXMJP-KRWDZBQOSA-N 1 0 348.447 2.905 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000459740652 478069169 /nfs/dbraw/zinc/06/91/69/478069169.db2.gz BLPYPLDUZRZIFH-KGLIPLIRSA-N 1 0 344.371 2.692 20 5 EFBDRO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548748 478084458 /nfs/dbraw/zinc/08/44/58/478084458.db2.gz OGSSWXHSXGVOCC-AEFFLSMTSA-N 1 0 336.432 2.808 20 5 EFBDRO CO[C@H]1C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000459772061 478085508 /nfs/dbraw/zinc/08/55/08/478085508.db2.gz RWJJNOFLENHOTE-KGLIPLIRSA-N 1 0 344.371 2.692 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777672 478086527 /nfs/dbraw/zinc/08/65/27/478086527.db2.gz LJCNVVHPXOSPKU-XBFCOCLRSA-N 1 0 333.388 2.710 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000429243196 478088565 /nfs/dbraw/zinc/08/85/65/478088565.db2.gz CFPGYACHGQDFDJ-ZDUSSCGKSA-N 1 0 334.372 2.590 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459790394 478093821 /nfs/dbraw/zinc/09/38/21/478093821.db2.gz SCRDBLPZOUQDPX-XBFCOCLRSA-N 1 0 331.372 2.671 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459794689 478096607 /nfs/dbraw/zinc/09/66/07/478096607.db2.gz WUULNVJUDDGKQL-MHDGFBEUSA-N 1 0 333.388 2.709 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459794698 478096878 /nfs/dbraw/zinc/09/68/78/478096878.db2.gz WUULNVJUDDGKQL-XCCSTKFXSA-N 1 0 333.388 2.709 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451568680 478098916 /nfs/dbraw/zinc/09/89/16/478098916.db2.gz NYEGDEQOFPHBHH-BBRMVZONSA-N 1 0 335.404 2.589 20 5 EFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000487989622 478099581 /nfs/dbraw/zinc/09/95/81/478099581.db2.gz AHBIYMLSXGPQTK-OAHLLOKOSA-N 1 0 325.384 2.515 20 5 EFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000487989620 478099635 /nfs/dbraw/zinc/09/96/35/478099635.db2.gz AHBIYMLSXGPQTK-HNNXBMFYSA-N 1 0 325.384 2.515 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487987737 478099857 /nfs/dbraw/zinc/09/98/57/478099857.db2.gz KWEFRTPKMYFSEM-WMLDXEAASA-N 1 0 348.447 2.502 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000495146644 478129694 /nfs/dbraw/zinc/12/96/94/478129694.db2.gz LLCLPNDENAMYNM-UHFFFAOYSA-N 1 0 337.420 2.794 20 5 EFBDRO Cc1cccc2c1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000429583571 478159793 /nfs/dbraw/zinc/15/97/93/478159793.db2.gz BLKXWISXUQAOKO-KRWDZBQOSA-N 1 0 342.395 2.701 20 5 EFBDRO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000488557250 478161290 /nfs/dbraw/zinc/16/12/90/478161290.db2.gz KUVSGSQGEQFJCL-CQSZACIVSA-N 1 0 343.374 2.968 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000451698764 478162022 /nfs/dbraw/zinc/16/20/22/478162022.db2.gz JVPHSECOXSCSJK-PMPSAXMXSA-N 1 0 334.416 2.976 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000429701808 478175672 /nfs/dbraw/zinc/17/56/72/478175672.db2.gz MJEVPSOSYIXKFT-ZACQAIPSSA-N 1 0 332.400 2.911 20 5 EFBDRO CC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488750673 478178505 /nfs/dbraw/zinc/17/85/05/478178505.db2.gz OGPRWAMBIYHINH-ZJNRKIDTSA-N 1 0 331.416 2.964 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451727932 478179746 /nfs/dbraw/zinc/17/97/46/478179746.db2.gz CSVAPXCKNLTHCB-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451733968 478183001 /nfs/dbraw/zinc/18/30/01/478183001.db2.gz VYOZPFHOSZXQCT-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451733967 478183650 /nfs/dbraw/zinc/18/36/50/478183650.db2.gz VYOZPFHOSZXQCT-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770523 478189098 /nfs/dbraw/zinc/18/90/98/478189098.db2.gz GFQAECFULSHXRN-TZMCWYRMSA-N 1 0 346.387 2.628 20 5 EFBDRO COc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000451777049 478200329 /nfs/dbraw/zinc/20/03/29/478200329.db2.gz BGZQLJCDBJIROX-GFCCVEGCSA-N 1 0 328.384 2.971 20 5 EFBDRO COc1ccc(OCC[N@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451782402 478202429 /nfs/dbraw/zinc/20/24/29/478202429.db2.gz QRLJUEWNWKIIRV-CYBMUJFWSA-N 1 0 340.420 2.711 20 5 EFBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)CC(C)(C)C ZINC000451784041 478202698 /nfs/dbraw/zinc/20/26/98/478202698.db2.gz TUOIVPXDDBCLQR-AWEZNQCLSA-N 1 0 348.403 2.874 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](C)C[NH+](C)C ZINC000488986148 478208573 /nfs/dbraw/zinc/20/85/73/478208573.db2.gz QMYKLOMDDVHOBO-JTQLQIEISA-N 1 0 327.356 2.520 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489336876 478235270 /nfs/dbraw/zinc/23/52/70/478235270.db2.gz WAVZZLNFLMSRCT-CQSZACIVSA-N 1 0 325.796 2.660 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1CCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000519593883 478237198 /nfs/dbraw/zinc/23/71/98/478237198.db2.gz AFJWHRUBKMYWGD-LLVKDONJSA-N 1 0 327.331 2.948 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000536233491 478244990 /nfs/dbraw/zinc/24/49/90/478244990.db2.gz MNQHHZOIUWDXSZ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)cc1 ZINC000562545296 478266002 /nfs/dbraw/zinc/26/60/02/478266002.db2.gz RVRRMOOHPGQACF-AEFFLSMTSA-N 1 0 334.416 2.970 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594213265 478277876 /nfs/dbraw/zinc/27/78/76/478277876.db2.gz UCWXUFWEEJIMQI-JQFCIGGWSA-N 1 0 346.431 2.972 20 5 EFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000590661464 478279024 /nfs/dbraw/zinc/27/90/24/478279024.db2.gz SZMPLJHFZWTFPN-DLBZAZTESA-N 1 0 348.399 2.755 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000562615210 478284334 /nfs/dbraw/zinc/28/43/34/478284334.db2.gz UCODQGRYQQDALF-OAHLLOKOSA-N 1 0 345.403 2.776 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594228054 478285782 /nfs/dbraw/zinc/28/57/82/478285782.db2.gz ZPVDSEUPGDGJHP-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000520301701 478294161 /nfs/dbraw/zinc/29/41/61/478294161.db2.gz RPFAMDRIHZXMLA-LBPRGKRZSA-N 1 0 333.388 2.668 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000562646340 478296334 /nfs/dbraw/zinc/29/63/34/478296334.db2.gz SFBJMDMUTAIBMP-MWLCHTKSSA-N 1 0 343.836 2.679 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000489990654 478296957 /nfs/dbraw/zinc/29/69/57/478296957.db2.gz GAPCEGVRLBVARK-OCCSQVGLSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000489990652 478297018 /nfs/dbraw/zinc/29/70/18/478297018.db2.gz GAPCEGVRLBVARK-GXTWGEPZSA-N 1 0 334.420 2.612 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000537311891 478297184 /nfs/dbraw/zinc/29/71/84/478297184.db2.gz VOOOKRPGTMOEHY-OAHLLOKOSA-N 1 0 349.431 2.519 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCc1ccccc1 ZINC000570174620 478302580 /nfs/dbraw/zinc/30/25/80/478302580.db2.gz CKLHMWDALHOQFG-KRWDZBQOSA-N 1 0 339.395 2.878 20 5 EFBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754400 478320264 /nfs/dbraw/zinc/32/02/64/478320264.db2.gz FEJAOAZACHCDIP-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO Cn1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1=O ZINC000590757334 478323067 /nfs/dbraw/zinc/32/30/67/478323067.db2.gz UGOVWQSZEZAJGW-INIZCTEOSA-N 1 0 327.384 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2cccs2)c1 ZINC000570273053 478323771 /nfs/dbraw/zinc/32/37/71/478323771.db2.gz MDWHODRVOLMQRU-AWEZNQCLSA-N 1 0 336.413 2.618 20 5 EFBDRO C[C@@H]1OCC[C@@]12CN(c1nccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000579566729 478325224 /nfs/dbraw/zinc/32/52/24/478325224.db2.gz XLTOYCRWZRVVHU-YVEFUNNKSA-N 1 0 329.356 2.527 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000600309512 478333326 /nfs/dbraw/zinc/33/33/26/478333326.db2.gz AZDXZTAUKCCKFL-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310447 478333407 /nfs/dbraw/zinc/33/34/07/478333407.db2.gz JBIZYSDBHSPBCF-CYBMUJFWSA-N 1 0 337.445 2.535 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600310060 478333659 /nfs/dbraw/zinc/33/36/59/478333659.db2.gz FSKXXKJSDHPOEX-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000570306748 478333813 /nfs/dbraw/zinc/33/38/13/478333813.db2.gz VFGNVPZIJJFJBN-MRXNPFEDSA-N 1 0 333.432 2.779 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600314753 478336755 /nfs/dbraw/zinc/33/67/55/478336755.db2.gz PFYLMZBWLFNXNT-GFCCVEGCSA-N 1 0 339.823 2.639 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600316305 478337862 /nfs/dbraw/zinc/33/78/62/478337862.db2.gz ZIGKNOUFFOXVHG-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538178755 478348275 /nfs/dbraw/zinc/34/82/75/478348275.db2.gz IGTQWIJEPBWCSC-CYBMUJFWSA-N 1 0 345.374 2.743 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538178760 478348555 /nfs/dbraw/zinc/34/85/55/478348555.db2.gz IGTQWIJEPBWCSC-ZDUSSCGKSA-N 1 0 345.374 2.743 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000594375428 478349871 /nfs/dbraw/zinc/34/98/71/478349871.db2.gz OGMNUIOVRULPNJ-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000490553090 478350350 /nfs/dbraw/zinc/35/03/50/478350350.db2.gz YGIGVJASQJHMFP-TWGQIWQCSA-N 1 0 331.416 2.939 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000594390128 478357437 /nfs/dbraw/zinc/35/74/37/478357437.db2.gz SNUDDYSCRCEIHD-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000521395058 478374103 /nfs/dbraw/zinc/37/41/03/478374103.db2.gz AMLFSVOKWMPNGN-UHFFFAOYSA-N 1 0 341.839 2.825 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597534782 478399298 /nfs/dbraw/zinc/39/92/98/478399298.db2.gz ZEGLMUJHSXFYSG-VXGBXAGGSA-N 1 0 345.321 2.826 20 5 EFBDRO CC(C)(C)C1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000570625907 478402204 /nfs/dbraw/zinc/40/22/04/478402204.db2.gz QMTVGQQHWQYMJU-ZBCRRDGASA-N 1 0 338.452 2.594 20 5 EFBDRO Cc1[nH+]c2c(n1Cc1cc([N+](=O)[O-])cc3c1OCOC3)CCCC2 ZINC000581645608 478407696 /nfs/dbraw/zinc/40/76/96/478407696.db2.gz KZTJABKCVXHEQK-UHFFFAOYSA-N 1 0 329.356 2.893 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000594495704 478412086 /nfs/dbraw/zinc/41/20/86/478412086.db2.gz SZBSZQHIKASYAD-QGZVFWFLSA-N 1 0 345.443 2.817 20 5 EFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000594501121 478413173 /nfs/dbraw/zinc/41/31/73/478413173.db2.gz RHORDWAAEFTMNT-OAHLLOKOSA-N 1 0 339.823 2.591 20 5 EFBDRO C=Cc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000563012467 478416357 /nfs/dbraw/zinc/41/63/57/478416357.db2.gz UHKHJPKPTJOBTR-SFHVURJKSA-N 1 0 342.395 2.810 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590972176 478423436 /nfs/dbraw/zinc/42/34/36/478423436.db2.gz QUAXVTULZZWATB-PBHICJAKSA-N 1 0 342.399 2.606 20 5 EFBDRO C[C@H]1C[NH+](CCSCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000600571232 478424667 /nfs/dbraw/zinc/42/46/67/478424667.db2.gz UFOYSZCVXXJJMF-KBPBESRZSA-N 1 0 340.445 2.816 20 5 EFBDRO C[C@@H]1C[NH+](CCSCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000600571251 478425182 /nfs/dbraw/zinc/42/51/82/478425182.db2.gz UFOYSZCVXXJJMF-ZIAGYGMSSA-N 1 0 340.445 2.816 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000597606523 478430294 /nfs/dbraw/zinc/43/02/94/478430294.db2.gz WODJYIGOXLFVNQ-AWEZNQCLSA-N 1 0 335.404 2.550 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594550163 478433691 /nfs/dbraw/zinc/43/36/91/478433691.db2.gz LLHXRBKXXBAINC-CQSZACIVSA-N 1 0 334.420 2.842 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594554081 478434936 /nfs/dbraw/zinc/43/49/36/478434936.db2.gz KJRUPRDWGMYSPC-DZKIICNBSA-N 1 0 346.431 2.528 20 5 EFBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591054120 478445039 /nfs/dbraw/zinc/44/50/39/478445039.db2.gz RCLVCFKUBQHSRC-KRWDZBQOSA-N 1 0 336.388 2.639 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)nc1 ZINC000539838785 478445769 /nfs/dbraw/zinc/44/57/69/478445769.db2.gz YHUCISLQVNKEEE-ZDUSSCGKSA-N 1 0 338.371 2.553 20 5 EFBDRO Cc1cnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594577433 478446452 /nfs/dbraw/zinc/44/64/52/478446452.db2.gz QDTVEJALIHWQAP-UHFFFAOYSA-N 1 0 342.399 2.768 20 5 EFBDRO Cc1nc(NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000570806275 478450956 /nfs/dbraw/zinc/45/09/56/478450956.db2.gz GDATYOYVYUYBTJ-CYBMUJFWSA-N 1 0 349.822 2.526 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000591075805 478452401 /nfs/dbraw/zinc/45/24/01/478452401.db2.gz LMMDEWDVMQCQSU-LSDHHAIUSA-N 1 0 326.356 2.798 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000594594757 478454094 /nfs/dbraw/zinc/45/40/94/478454094.db2.gz RECXSUKVVAOYGY-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599217 478458809 /nfs/dbraw/zinc/45/88/09/478458809.db2.gz IGIOQHJBCXEBHH-GOEBONIOSA-N 1 0 347.415 2.739 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2N1 ZINC000594604582 478461737 /nfs/dbraw/zinc/46/17/37/478461737.db2.gz ZZLPHLIYOSVCQF-XJKSGUPXSA-N 1 0 344.415 2.908 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2N1 ZINC000594604581 478462838 /nfs/dbraw/zinc/46/28/38/478462838.db2.gz ZZLPHLIYOSVCQF-CZUORRHYSA-N 1 0 344.415 2.908 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597696076 478468034 /nfs/dbraw/zinc/46/80/34/478468034.db2.gz BGCMLJNJYDPFHZ-ABAIWWIYSA-N 1 0 337.395 2.563 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597697247 478468680 /nfs/dbraw/zinc/46/86/80/478468680.db2.gz FFQWPQAALQIPHH-CABZTGNLSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597697246 478468711 /nfs/dbraw/zinc/46/87/11/478468711.db2.gz FFQWPQAALQIPHH-BXKDBHETSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597701917 478470829 /nfs/dbraw/zinc/47/08/29/478470829.db2.gz XGGYVKGRPSOZOZ-ZANVPECISA-N 1 0 345.321 2.778 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000597702204 478471108 /nfs/dbraw/zinc/47/11/08/478471108.db2.gz ZDKOSJYFVMKWFB-OCCSQVGLSA-N 1 0 335.404 2.547 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597709807 478473432 /nfs/dbraw/zinc/47/34/32/478473432.db2.gz CONDDDZWXZMPOJ-ACJLOTCBSA-N 1 0 349.406 2.782 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628729 478473576 /nfs/dbraw/zinc/47/35/76/478473576.db2.gz DYZBDHBMZXLRIZ-UHFFFAOYSA-N 1 0 342.399 2.824 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591143072 478473836 /nfs/dbraw/zinc/47/38/36/478473836.db2.gz BWLPJOJDTBKQFM-JTQLQIEISA-N 1 0 332.326 2.975 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000591146261 478474524 /nfs/dbraw/zinc/47/45/24/478474524.db2.gz RAGRZRVQQCIWQZ-SNVBAGLBSA-N 1 0 330.310 2.905 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591146506 478474841 /nfs/dbraw/zinc/47/48/41/478474841.db2.gz FUHMOEBRBPQDBW-CQSZACIVSA-N 1 0 330.388 2.666 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597709912 478474845 /nfs/dbraw/zinc/47/48/45/478474845.db2.gz CPCGWHXTIAOYCG-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO COC1CC[NH+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591149320 478475445 /nfs/dbraw/zinc/47/54/45/478475445.db2.gz GNHXNMDOHKGPNN-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000597713571 478475620 /nfs/dbraw/zinc/47/56/20/478475620.db2.gz CFHHSFOZTHYCCE-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000591150693 478476512 /nfs/dbraw/zinc/47/65/12/478476512.db2.gz NZWLJBNLQBKRKV-MRXNPFEDSA-N 1 0 342.399 2.808 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000591182643 478485822 /nfs/dbraw/zinc/48/58/22/478485822.db2.gz GGUOUSDHVQYOOJ-CYBMUJFWSA-N 1 0 349.431 2.842 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600723697 478486644 /nfs/dbraw/zinc/48/66/44/478486644.db2.gz DKXLLJKWAZWVOG-ONGXEEELSA-N 1 0 335.301 2.693 20 5 EFBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000600725356 478488795 /nfs/dbraw/zinc/48/87/95/478488795.db2.gz JDGPGDQHZMDGCR-CMPLNLGQSA-N 1 0 335.301 2.693 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000594692903 478498290 /nfs/dbraw/zinc/49/82/90/478498290.db2.gz FONNHADZJGDDBJ-GFCCVEGCSA-N 1 0 347.444 2.816 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755190 478505681 /nfs/dbraw/zinc/50/56/81/478505681.db2.gz AJYOHSNXSILXHO-ZYSHUDEJSA-N 1 0 342.395 2.789 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[NH2+]CC3)cs2)c1 ZINC000591278555 478507487 /nfs/dbraw/zinc/50/74/87/478507487.db2.gz PPEUFYXHIYHMCO-ZDUSSCGKSA-N 1 0 332.429 2.950 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[NH2+]CC3)cs2)c1 ZINC000591278554 478507903 /nfs/dbraw/zinc/50/79/03/478507903.db2.gz PPEUFYXHIYHMCO-CYBMUJFWSA-N 1 0 332.429 2.950 20 5 EFBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594723467 478514041 /nfs/dbraw/zinc/51/40/41/478514041.db2.gz BMJPVEOIPUVOTA-CYBMUJFWSA-N 1 0 340.445 2.993 20 5 EFBDRO COC(=O)c1ccc(-c2ccc([C@H]3COCC[NH2+]3)cc2)c([N+](=O)[O-])c1 ZINC000600783117 478519036 /nfs/dbraw/zinc/51/90/36/478519036.db2.gz CIHXIVDMRXMMDT-MRXNPFEDSA-N 1 0 342.351 2.709 20 5 EFBDRO COC(=O)c1ccc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)c([N+](=O)[O-])c1 ZINC000600783098 478519089 /nfs/dbraw/zinc/51/90/89/478519089.db2.gz CIHXIVDMRXMMDT-INIZCTEOSA-N 1 0 342.351 2.709 20 5 EFBDRO COC(=O)c1cc(-c2ccc([C@H]3COCC[NH2+]3)cc2)cc([N+](=O)[O-])c1 ZINC000600789779 478523029 /nfs/dbraw/zinc/52/30/29/478523029.db2.gz VREXISDXQLNKIS-QGZVFWFLSA-N 1 0 342.351 2.709 20 5 EFBDRO CC(C)[N@@H+]1CCO[C@H](Cn2cc(-c3ccc(F)cc3[N+](=O)[O-])cn2)C1 ZINC000600791392 478524283 /nfs/dbraw/zinc/52/42/83/478524283.db2.gz ZNHMITTVJKMSMO-HNNXBMFYSA-N 1 0 348.378 2.707 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563362228 478531439 /nfs/dbraw/zinc/53/14/39/478531439.db2.gz BXGOITLBKSZLQR-INIZCTEOSA-N 1 0 344.415 2.963 20 5 EFBDRO Cn1cc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000563363855 478534008 /nfs/dbraw/zinc/53/40/08/478534008.db2.gz LUTMSZSALRVMEM-QGZVFWFLSA-N 1 0 344.415 2.833 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591358584 478535672 /nfs/dbraw/zinc/53/56/72/478535672.db2.gz JMACIMJQWKAKSC-JKSUJKDBSA-N 1 0 346.431 2.626 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571178625 478538569 /nfs/dbraw/zinc/53/85/69/478538569.db2.gz JTGNRJCVRKWOCC-MRXNPFEDSA-N 1 0 329.400 2.573 20 5 EFBDRO C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000582220434 478542103 /nfs/dbraw/zinc/54/21/03/478542103.db2.gz UBEUYLVRQYPGHF-LRDDRELGSA-N 1 0 340.387 2.751 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571204335 478543154 /nfs/dbraw/zinc/54/31/54/478543154.db2.gz UYCGHRLJOWGJBC-UHFFFAOYSA-N 1 0 348.428 2.836 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268571 478545223 /nfs/dbraw/zinc/54/52/23/478545223.db2.gz NUQXQXOBQJYWFU-DOMZBBRYSA-N 1 0 345.399 2.595 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496119186 478549704 /nfs/dbraw/zinc/54/97/04/478549704.db2.gz DYJHFXUOIKWTJT-HNNXBMFYSA-N 1 0 333.388 2.793 20 5 EFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000591437774 478551336 /nfs/dbraw/zinc/55/13/36/478551336.db2.gz KTVCSRWRHZJQGA-JQWIXIFHSA-N 1 0 340.221 2.854 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591442916 478553757 /nfs/dbraw/zinc/55/37/57/478553757.db2.gz OBIDFZOYCFISOI-WDEREUQCSA-N 1 0 329.322 2.968 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591442915 478553991 /nfs/dbraw/zinc/55/39/91/478553991.db2.gz OBIDFZOYCFISOI-QWRGUYRKSA-N 1 0 329.322 2.968 20 5 EFBDRO O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1[N+](=O)[O-] ZINC000591447016 478555554 /nfs/dbraw/zinc/55/55/54/478555554.db2.gz WPALINLMSOQWFZ-HOCLYGCPSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591446986 478555959 /nfs/dbraw/zinc/55/59/59/478555959.db2.gz HOCJXJNWBPQWHU-IAGOWNOFSA-N 1 0 346.431 2.530 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000571294847 478564822 /nfs/dbraw/zinc/56/48/22/478564822.db2.gz HHGADYIOCMLNDI-OAHLLOKOSA-N 1 0 340.383 2.808 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491490801 478565058 /nfs/dbraw/zinc/56/50/58/478565058.db2.gz CNZLKQYJQDZLMK-FPLPWBNLSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496156940 478575279 /nfs/dbraw/zinc/57/52/79/478575279.db2.gz VAQOAWNQPYBZAK-LBPRGKRZSA-N 1 0 336.392 2.692 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC000597923682 478577232 /nfs/dbraw/zinc/57/72/32/478577232.db2.gz OEXUCMOHJMLNLM-ZDUSSCGKSA-N 1 0 335.404 2.514 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000597923663 478578241 /nfs/dbraw/zinc/57/82/41/478578241.db2.gz NWBQEZOBVJVOMU-LLVKDONJSA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597926018 478581001 /nfs/dbraw/zinc/58/10/01/478581001.db2.gz ZMNZRRRCNJJPHC-AWEZNQCLSA-N 1 0 347.415 2.547 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582370434 478583199 /nfs/dbraw/zinc/58/31/99/478583199.db2.gz PTICUFBMMRJHMA-KDOFPFPSSA-N 1 0 342.395 2.956 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000600964507 478587524 /nfs/dbraw/zinc/58/75/24/478587524.db2.gz CEYGIHDYPNCELC-AWEZNQCLSA-N 1 0 345.374 2.637 20 5 EFBDRO C[C@H](CCO)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000571404244 478589829 /nfs/dbraw/zinc/58/98/29/478589829.db2.gz UQVCTACIAGZBJA-CQSZACIVSA-N 1 0 349.431 2.702 20 5 EFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000582448067 478600367 /nfs/dbraw/zinc/60/03/67/478600367.db2.gz PZURWHYZRCVNOL-GXTWGEPZSA-N 1 0 336.388 2.910 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997953 478604643 /nfs/dbraw/zinc/60/46/43/478604643.db2.gz GSVZBUHAIZENIT-BETUJISGSA-N 1 0 337.395 2.832 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000591672883 478605924 /nfs/dbraw/zinc/60/59/24/478605924.db2.gz QIXCUWPSUNXIAX-CQSZACIVSA-N 1 0 341.358 2.577 20 5 EFBDRO CC1(C)C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000591678371 478606136 /nfs/dbraw/zinc/60/61/36/478606136.db2.gz RJYALCYAYPCSTG-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597991308 478610012 /nfs/dbraw/zinc/61/00/12/478610012.db2.gz CWHPKCSHQUZUDV-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000582490993 478611737 /nfs/dbraw/zinc/61/17/37/478611737.db2.gz RDPYOXKKQZSEJO-CYBMUJFWSA-N 1 0 334.420 2.735 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000591740789 478616582 /nfs/dbraw/zinc/61/65/82/478616582.db2.gz HTXLWMIIOLBGLC-BBRMVZONSA-N 1 0 346.408 2.771 20 5 EFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000591744699 478618030 /nfs/dbraw/zinc/61/80/30/478618030.db2.gz ZSBOHRVRLPAXJT-KRWDZBQOSA-N 1 0 344.411 2.729 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744292 478618322 /nfs/dbraw/zinc/61/83/22/478618322.db2.gz PEKQPWDWWJYOGS-ATZDWAIDSA-N 1 0 342.395 2.654 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000541980847 478619907 /nfs/dbraw/zinc/61/99/07/478619907.db2.gz IBGWKGNISRVRFQ-KRWDZBQOSA-N 1 0 349.431 2.763 20 5 EFBDRO CC(C)(C)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000594993765 478621064 /nfs/dbraw/zinc/62/10/64/478621064.db2.gz PZJQJOMDQXCALX-IZPAUZPXSA-N 1 0 331.416 2.845 20 5 EFBDRO CCC1(O)CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591757521 478621626 /nfs/dbraw/zinc/62/16/26/478621626.db2.gz AVIIKKRGBGHUDY-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000595004548 478625949 /nfs/dbraw/zinc/62/59/49/478625949.db2.gz UAMZCCKHAHHXGE-ZFWWWQNUSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000595006027 478626784 /nfs/dbraw/zinc/62/67/84/478626784.db2.gz DZUBARBHQYUEHI-BXUZGUMPSA-N 1 0 342.399 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000595007937 478626931 /nfs/dbraw/zinc/62/69/31/478626931.db2.gz LIDRRRSBUWXTCO-KBPBESRZSA-N 1 0 338.404 2.697 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCN(C(C)=O)CC1 ZINC000595012894 478630074 /nfs/dbraw/zinc/63/00/74/478630074.db2.gz PWXKELMDIZQVPT-LBPRGKRZSA-N 1 0 335.404 2.513 20 5 EFBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014861 478630160 /nfs/dbraw/zinc/63/01/60/478630160.db2.gz UVXKXUALZPCKMN-CYBMUJFWSA-N 1 0 337.420 2.903 20 5 EFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014863 478630178 /nfs/dbraw/zinc/63/01/78/478630178.db2.gz UVXKXUALZPCKMN-ZDUSSCGKSA-N 1 0 337.420 2.903 20 5 EFBDRO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595021755 478632021 /nfs/dbraw/zinc/63/20/21/478632021.db2.gz FQGMCTHSGRDETC-CQSZACIVSA-N 1 0 328.416 2.891 20 5 EFBDRO CN(C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491684100 478632121 /nfs/dbraw/zinc/63/21/21/478632121.db2.gz CQXAVMNBQWMIPC-UMSKNGNOSA-N 1 0 349.818 2.957 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571627260 478639796 /nfs/dbraw/zinc/63/97/96/478639796.db2.gz LDMFPRFVGSZIPV-ZDUSSCGKSA-N 1 0 330.310 2.589 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056858 478643390 /nfs/dbraw/zinc/64/33/90/478643390.db2.gz RTOFWJFIYGILJJ-UKRRQHHQSA-N 1 0 348.447 2.774 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595057310 478643667 /nfs/dbraw/zinc/64/36/67/478643667.db2.gz WRDJMZKLDZLQBZ-ZFWWWQNUSA-N 1 0 348.447 2.774 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000582632387 478645583 /nfs/dbraw/zinc/64/55/83/478645583.db2.gz FGFLGUJUEUCBKH-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000491719254 478647264 /nfs/dbraw/zinc/64/72/64/478647264.db2.gz SHOYNVPIRSUFRY-UHFFFAOYSA-N 1 0 336.392 2.695 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563896339 478658617 /nfs/dbraw/zinc/65/86/17/478658617.db2.gz HCWMADHVUGIUTR-KRWDZBQOSA-N 1 0 339.395 2.733 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601110051 478662102 /nfs/dbraw/zinc/66/21/02/478662102.db2.gz YEOTUEBDCAZART-KBPBESRZSA-N 1 0 338.477 2.651 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116099 478665829 /nfs/dbraw/zinc/66/58/29/478665829.db2.gz OEBKZCMFPDJMID-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000591888759 478675659 /nfs/dbraw/zinc/67/56/59/478675659.db2.gz AUMLUIKKMQAQCC-CQSZACIVSA-N 1 0 335.404 2.597 20 5 EFBDRO CS[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601134403 478678346 /nfs/dbraw/zinc/67/83/46/478678346.db2.gz BPAULNPHAVVQLV-HZPDHXFCSA-N 1 0 332.429 2.625 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000601139688 478683220 /nfs/dbraw/zinc/68/32/20/478683220.db2.gz HJDOBTVJAGUXRI-TXEJJXNPSA-N 1 0 332.356 2.724 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595220887 478691807 /nfs/dbraw/zinc/69/18/07/478691807.db2.gz LNYNMXYQVKNSGI-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595220540 478692004 /nfs/dbraw/zinc/69/20/04/478692004.db2.gz IOULESYNYQBEKH-MRXNPFEDSA-N 1 0 331.416 2.755 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000564136076 478697265 /nfs/dbraw/zinc/69/72/65/478697265.db2.gz JOEQIRACDFWJHR-UHFFFAOYSA-N 1 0 336.436 2.662 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000582846504 478702432 /nfs/dbraw/zinc/70/24/32/478702432.db2.gz QWPLLIBUZKMOEE-MFKMUULPSA-N 1 0 328.315 2.807 20 5 EFBDRO Cc1c(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000595254720 478703183 /nfs/dbraw/zinc/70/31/83/478703183.db2.gz VNLDALCNJUSQSQ-INIZCTEOSA-N 1 0 325.368 2.754 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595258466 478704578 /nfs/dbraw/zinc/70/45/78/478704578.db2.gz MXJSOIYZFYBFBZ-HUUCEWRRSA-N 1 0 349.431 2.730 20 5 EFBDRO COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595258818 478705482 /nfs/dbraw/zinc/70/54/82/478705482.db2.gz VMAPZNFTCGSTHR-TZMCWYRMSA-N 1 0 335.404 2.583 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cccc1[N+](=O)[O-] ZINC000595258970 478705673 /nfs/dbraw/zinc/70/56/73/478705673.db2.gz XTZBABNMVRLASE-CZUORRHYSA-N 1 0 333.432 2.812 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000595267524 478707871 /nfs/dbraw/zinc/70/78/71/478707871.db2.gz DAVHHRQQQYTJGL-QZTJIDSGSA-N 1 0 339.395 2.779 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000595271850 478710044 /nfs/dbraw/zinc/71/00/44/478710044.db2.gz ZLKQMYPFKXJTQU-UHFFFAOYSA-N 1 0 332.404 2.540 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591926910 478710116 /nfs/dbraw/zinc/71/01/16/478710116.db2.gz WUVWKYWFDCYLSN-TZMCWYRMSA-N 1 0 347.415 2.738 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598222084 478713172 /nfs/dbraw/zinc/71/31/72/478713172.db2.gz ZYQWJWHJJGUUIK-CYBMUJFWSA-N 1 0 347.415 2.740 20 5 EFBDRO Cc1cccc(NCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000571969125 478715163 /nfs/dbraw/zinc/71/51/63/478715163.db2.gz NWIGZAIGVPGKKB-CABCVRRESA-N 1 0 344.419 2.680 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595288951 478715549 /nfs/dbraw/zinc/71/55/49/478715549.db2.gz BZPUNJZKBKCXJZ-IAGOWNOFSA-N 1 0 346.475 2.695 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595292027 478717793 /nfs/dbraw/zinc/71/77/93/478717793.db2.gz ZMXGINVTRNULQX-IAGOWNOFSA-N 1 0 346.475 2.695 20 5 EFBDRO C[C@H](Cc1c[nH]cn1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582914359 478718011 /nfs/dbraw/zinc/71/80/11/478718011.db2.gz FYFUDLIROVFFME-CYBMUJFWSA-N 1 0 330.388 2.636 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000591945136 478718188 /nfs/dbraw/zinc/71/81/88/478718188.db2.gz WZXIYNVNSUKKQJ-ZDUSSCGKSA-N 1 0 337.420 2.841 20 5 EFBDRO CC(C)[N@H+](CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595294974 478720046 /nfs/dbraw/zinc/72/00/46/478720046.db2.gz DRGZVRFFXXXUBK-HZPDHXFCSA-N 1 0 335.448 2.914 20 5 EFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000543247460 478727797 /nfs/dbraw/zinc/72/77/97/478727797.db2.gz YERXGZNTWNFWMA-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1c(CC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598261511 478730441 /nfs/dbraw/zinc/73/04/41/478730441.db2.gz GAJMOHQNKZQXGD-AWEZNQCLSA-N 1 0 333.432 2.682 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598260217 478731044 /nfs/dbraw/zinc/73/10/44/478731044.db2.gz IQYKVZLQTNSQQT-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598266410 478733642 /nfs/dbraw/zinc/73/36/42/478733642.db2.gz XNYBWSHXEOYWTB-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595334886 478736546 /nfs/dbraw/zinc/73/65/46/478736546.db2.gz BFYXSFMDOBEQSJ-MRXNPFEDSA-N 1 0 339.411 2.667 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491923277 478739341 /nfs/dbraw/zinc/73/93/41/478739341.db2.gz BKNBWVRUHKXWEO-WHLNPGIBSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491925949 478739957 /nfs/dbraw/zinc/73/99/57/478739957.db2.gz ONRIFKOOUDPEHZ-PTZVLDCSSA-N 1 0 331.416 2.798 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000601239441 478741904 /nfs/dbraw/zinc/74/19/04/478741904.db2.gz KWFLBZJONYMAMM-OAHLLOKOSA-N 1 0 329.404 2.632 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCc3ccccc3)C2)nc1 ZINC000595374587 478752977 /nfs/dbraw/zinc/75/29/77/478752977.db2.gz HBAFONSAJIDEGF-MRXNPFEDSA-N 1 0 342.399 2.693 20 5 EFBDRO C[C@@H]1CN(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000595405387 478762565 /nfs/dbraw/zinc/76/25/65/478762565.db2.gz WYPHZQZYYPOBII-HUUCEWRRSA-N 1 0 333.432 2.668 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3c(F)cccc3F)C2)nc1 ZINC000592079651 478767016 /nfs/dbraw/zinc/76/70/16/478767016.db2.gz DWZHSINVCIFJKB-LBPRGKRZSA-N 1 0 348.353 2.997 20 5 EFBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000601291040 478767434 /nfs/dbraw/zinc/76/74/34/478767434.db2.gz FCQISLUFLYJETD-SUHUHFCYSA-N 1 0 334.397 2.734 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000595419261 478769250 /nfs/dbraw/zinc/76/92/50/478769250.db2.gz JKZGMXOBELULBA-GFCCVEGCSA-N 1 0 332.408 2.538 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294493 478769379 /nfs/dbraw/zinc/76/93/79/478769379.db2.gz OWKVCCFRRRCVMF-BXKDBHETSA-N 1 0 329.282 2.641 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294496 478769752 /nfs/dbraw/zinc/76/97/52/478769752.db2.gz OWKVCCFRRRCVMF-SKDRFNHKSA-N 1 0 329.282 2.641 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306715 478776835 /nfs/dbraw/zinc/77/68/35/478776835.db2.gz PCDIRHDIYZHHOP-XXILOJSOSA-N 1 0 331.294 2.852 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000598343909 478777561 /nfs/dbraw/zinc/77/75/61/478777561.db2.gz YGENNMQSZJRZTJ-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492040644 478797375 /nfs/dbraw/zinc/79/73/75/478797375.db2.gz LOTGWLPWVLDURQ-HLRDLLSLSA-N 1 0 343.427 2.798 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000601372579 478806694 /nfs/dbraw/zinc/80/66/94/478806694.db2.gz CDDFGJZSQIUVGV-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2cccnc2)C1 ZINC000564797663 478814087 /nfs/dbraw/zinc/81/40/87/478814087.db2.gz XOFZQPKXOPRIEB-ZFWWWQNUSA-N 1 0 340.383 2.806 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492089277 478817944 /nfs/dbraw/zinc/81/79/44/478817944.db2.gz PPVIMJUXGNEGHZ-FXIPVCQGSA-N 1 0 347.390 2.832 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492089279 478818956 /nfs/dbraw/zinc/81/89/56/478818956.db2.gz PPVIMJUXGNEGHZ-VFXWJFPTSA-N 1 0 347.390 2.832 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492109709 478826612 /nfs/dbraw/zinc/82/66/12/478826612.db2.gz NBXAWVQFHOUPCM-SQWULWQPSA-N 1 0 335.379 2.592 20 5 EFBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564845898 478828331 /nfs/dbraw/zinc/82/83/31/478828331.db2.gz XRQQEXFUAQOCAT-IAGOWNOFSA-N 1 0 344.411 2.945 20 5 EFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595523645 478833815 /nfs/dbraw/zinc/83/38/15/478833815.db2.gz LKDPAPQCUJYVFV-GXTWGEPZSA-N 1 0 343.358 2.515 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592244348 478838129 /nfs/dbraw/zinc/83/81/29/478838129.db2.gz AZJZXWQACCNKGV-CQSZACIVSA-N 1 0 337.445 2.777 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592244345 478838697 /nfs/dbraw/zinc/83/86/97/478838697.db2.gz AZGXORUHPSAPDE-SWLSCSKDSA-N 1 0 337.445 2.532 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592253234 478842169 /nfs/dbraw/zinc/84/21/69/478842169.db2.gz BUFGMDKRCXXZFG-CVEARBPZSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255181 478842559 /nfs/dbraw/zinc/84/25/59/478842559.db2.gz OFVMQYUBFBPIGJ-IAGOWNOFSA-N 1 0 345.443 2.766 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592254273 478842675 /nfs/dbraw/zinc/84/26/75/478842675.db2.gz BKCHALINDLQUPQ-DLBZAZTESA-N 1 0 345.443 2.684 20 5 EFBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592310498 478856974 /nfs/dbraw/zinc/85/69/74/478856974.db2.gz KDWRASZBOWIROH-LLVKDONJSA-N 1 0 337.445 2.954 20 5 EFBDRO Cc1c(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000595587351 478871637 /nfs/dbraw/zinc/87/16/37/478871637.db2.gz GVONIYSOGQGSRN-CQSZACIVSA-N 1 0 348.447 2.823 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000595595110 478875474 /nfs/dbraw/zinc/87/54/74/478875474.db2.gz HABWISVMRNWMSY-KRWDZBQOSA-N 1 0 330.384 2.639 20 5 EFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592396783 478883647 /nfs/dbraw/zinc/88/36/47/478883647.db2.gz KCMDABYVURJNRF-KCQAQPDRSA-N 1 0 337.420 2.699 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492233004 478884404 /nfs/dbraw/zinc/88/44/04/478884404.db2.gz ROFYMEXZDTVRGC-VKDHPCIHSA-N 1 0 347.390 2.690 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000545201458 478897055 /nfs/dbraw/zinc/89/70/55/478897055.db2.gz BQNDMOUJIPNAES-ZBFHGGJFSA-N 1 0 333.432 2.622 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598569221 478901411 /nfs/dbraw/zinc/90/14/11/478901411.db2.gz BTFLRUJTTPZQNU-WBVHZDCISA-N 1 0 333.432 2.620 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601610933 478905630 /nfs/dbraw/zinc/90/56/30/478905630.db2.gz UFDDNSCSJXCTHQ-ZDUSSCGKSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000598576345 478906163 /nfs/dbraw/zinc/90/61/63/478906163.db2.gz RIEZITFHRWCCGK-ZDUSSCGKSA-N 1 0 333.413 2.880 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000565086560 478909146 /nfs/dbraw/zinc/90/91/46/478909146.db2.gz BOZZFIOEILTGFO-CQSZACIVSA-N 1 0 348.447 2.783 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000572738715 478910073 /nfs/dbraw/zinc/91/00/73/478910073.db2.gz QNSHSMYZFAAQPT-LBPRGKRZSA-N 1 0 343.387 2.945 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507263509 478911662 /nfs/dbraw/zinc/91/16/62/478911662.db2.gz BMIOUJVRVRVCNZ-MWODSPESSA-N 1 0 343.836 2.916 20 5 EFBDRO CCC(CC)[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])[NH+](C)C ZINC000598585992 478912501 /nfs/dbraw/zinc/91/25/01/478912501.db2.gz BURHDRLJFLSYMU-CYBMUJFWSA-N 1 0 338.408 2.555 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)OCCO2 ZINC000592516970 478925517 /nfs/dbraw/zinc/92/55/17/478925517.db2.gz LYARJYOUMJQMQL-HIFRSBDPSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)OCCO2 ZINC000592516972 478925917 /nfs/dbraw/zinc/92/59/17/478925917.db2.gz LYARJYOUMJQMQL-ZFWWWQNUSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)OCCO2 ZINC000592516969 478926048 /nfs/dbraw/zinc/92/60/48/478926048.db2.gz LYARJYOUMJQMQL-DZGCQCFKSA-N 1 0 348.399 2.757 20 5 EFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595670620 478926469 /nfs/dbraw/zinc/92/64/69/478926469.db2.gz GIEXPCTWFXHECS-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554093 478941558 /nfs/dbraw/zinc/94/15/58/478941558.db2.gz CEGCZXBRWUBMJB-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1CO ZINC000598647051 478942334 /nfs/dbraw/zinc/94/23/34/478942334.db2.gz MXNXRVKKYCKYHA-GXTWGEPZSA-N 1 0 331.372 2.700 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567200 478942833 /nfs/dbraw/zinc/94/28/33/478942833.db2.gz AIVQWWUTRAHZFU-LBPRGKRZSA-N 1 0 337.807 2.582 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CCO ZINC000595697621 478943158 /nfs/dbraw/zinc/94/31/58/478943158.db2.gz MASYMYHATLDKEC-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647758 478944434 /nfs/dbraw/zinc/94/44/34/478944434.db2.gz FDEHEKQHRYNFLY-MBNYWOFBSA-N 1 0 346.387 2.656 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CCO ZINC000595704838 478948692 /nfs/dbraw/zinc/94/86/92/478948692.db2.gz WGHQQEQVTSGQES-SWLSCSKDSA-N 1 0 346.387 2.628 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670610 478954723 /nfs/dbraw/zinc/95/47/23/478954723.db2.gz VKSQXJNTAVOKCZ-ACJLOTCBSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(C)Oc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000565226889 478957765 /nfs/dbraw/zinc/95/77/65/478957765.db2.gz RPWPDLXYWCYISD-ZIAGYGMSSA-N 1 0 334.420 2.840 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000601702758 478961407 /nfs/dbraw/zinc/96/14/07/478961407.db2.gz CTHVJNDMQWADQO-ZFWWWQNUSA-N 1 0 343.383 2.686 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC1CCCC1 ZINC000511055067 478973874 /nfs/dbraw/zinc/97/38/74/478973874.db2.gz UXMCLONMBLZLOT-CJNGLKHVSA-N 1 0 349.431 2.843 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598706717 478982870 /nfs/dbraw/zinc/98/28/70/478982870.db2.gz ULUQMSGIYNNEAE-INIZCTEOSA-N 1 0 348.424 2.571 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCSC[C@H]1C1CC1 ZINC000583976156 478982902 /nfs/dbraw/zinc/98/29/02/478982902.db2.gz UPVYOYAQTDMMKA-AWEZNQCLSA-N 1 0 335.429 2.669 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000546103321 479006847 /nfs/dbraw/zinc/00/68/47/479006847.db2.gz MYXAWIRNTPUQFK-OAHLLOKOSA-N 1 0 346.330 2.552 20 5 EFBDRO O=C(CC[NH+]1CCC2(CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595804698 479007082 /nfs/dbraw/zinc/00/70/82/479007082.db2.gz CEHRZDLCPNRCDC-UHFFFAOYSA-N 1 0 345.399 2.759 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595867124 479041177 /nfs/dbraw/zinc/04/11/77/479041177.db2.gz LNVLOXZJWSUMPH-INIZCTEOSA-N 1 0 338.310 2.575 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880412 479048150 /nfs/dbraw/zinc/04/81/50/479048150.db2.gz YSQAHWGSNLPEKA-XWCIJXRUSA-N 1 0 346.387 2.656 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880411 479048375 /nfs/dbraw/zinc/04/83/75/479048375.db2.gz YSQAHWGSNLPEKA-QFSBIZTOSA-N 1 0 346.387 2.656 20 5 EFBDRO C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000592802767 479051475 /nfs/dbraw/zinc/05/14/75/479051475.db2.gz FEQOUKSDNCVOSX-UKPHBRMFSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CC1(C)C ZINC000595908049 479063013 /nfs/dbraw/zinc/06/30/13/479063013.db2.gz FBTHGUMYZUTNLN-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO C[N@H+](CCC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546722989 479064957 /nfs/dbraw/zinc/06/49/57/479064957.db2.gz FMSNJIYGXIVNDO-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(CC[NH2+]C1CC(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000573438972 479065710 /nfs/dbraw/zinc/06/57/10/479065710.db2.gz LPIWDBGUGMCUTL-UHFFFAOYSA-N 1 0 331.294 2.854 20 5 EFBDRO CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592833332 479066602 /nfs/dbraw/zinc/06/66/02/479066602.db2.gz YROQMXUAFMGPDD-CQSZACIVSA-N 1 0 337.445 2.630 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000584271635 479072604 /nfs/dbraw/zinc/07/26/04/479072604.db2.gz COPZDWYQMGTPJL-HUUCEWRRSA-N 1 0 343.431 2.956 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000595918357 479072990 /nfs/dbraw/zinc/07/29/90/479072990.db2.gz XJXFRFMSKHJETK-JYJNAYRXSA-N 1 0 334.416 2.989 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930872 479077926 /nfs/dbraw/zinc/07/79/26/479077926.db2.gz AOGDTLKRSCLXSX-HZMBPMFUSA-N 1 0 346.412 2.816 20 5 EFBDRO Cc1c(CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595935614 479078841 /nfs/dbraw/zinc/07/88/41/479078841.db2.gz GUZPZUOMCLGZEX-KRWDZBQOSA-N 1 0 345.443 2.684 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935148 479079132 /nfs/dbraw/zinc/07/91/32/479079132.db2.gz ABAVPHSNAQVPKT-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000595940349 479080302 /nfs/dbraw/zinc/08/03/02/479080302.db2.gz CYMJLMARKIXNJC-UHFFFAOYSA-N 1 0 331.294 2.615 20 5 EFBDRO CCC(=O)N1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000573504928 479082547 /nfs/dbraw/zinc/08/25/47/479082547.db2.gz GBNLXGZEHGCODG-QINSGFPZSA-N 1 0 331.416 2.942 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000598914343 479083912 /nfs/dbraw/zinc/08/39/12/479083912.db2.gz AVAQVAMUJBUMDA-CABCVRRESA-N 1 0 336.367 2.872 20 5 EFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000598915432 479084566 /nfs/dbraw/zinc/08/45/66/479084566.db2.gz LUCFRKNQCVNJDE-NSHDSACASA-N 1 0 326.784 2.854 20 5 EFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000598915430 479085096 /nfs/dbraw/zinc/08/50/96/479085096.db2.gz LUCFRKNQCVNJDE-LLVKDONJSA-N 1 0 326.784 2.854 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598915180 479085143 /nfs/dbraw/zinc/08/51/43/479085143.db2.gz JQKPSVTZKDOIMP-JTQLQIEISA-N 1 0 326.784 2.841 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000584309126 479090290 /nfs/dbraw/zinc/09/02/90/479090290.db2.gz QROQWEJHQBFGIO-UONOGXRCSA-N 1 0 347.415 2.753 20 5 EFBDRO O=c1[nH]ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596052736 479109064 /nfs/dbraw/zinc/10/90/64/479109064.db2.gz JHXCHNVEFZZVTP-UHFFFAOYSA-N 1 0 348.790 2.671 20 5 EFBDRO COc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596058908 479112242 /nfs/dbraw/zinc/11/22/42/479112242.db2.gz LLNSFUVNRPWFER-INIZCTEOSA-N 1 0 333.432 2.815 20 5 EFBDRO CN(C(=O)CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596061316 479113927 /nfs/dbraw/zinc/11/39/27/479113927.db2.gz OABKAEBDYSEFIY-UHFFFAOYSA-N 1 0 343.383 2.616 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000598983147 479114309 /nfs/dbraw/zinc/11/43/09/479114309.db2.gz CBODDMVNTHBQHH-INIZCTEOSA-N 1 0 348.399 2.959 20 5 EFBDRO CN(C(=O)CC[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596061912 479115163 /nfs/dbraw/zinc/11/51/63/479115163.db2.gz FVPQDSBROGHZQZ-UHFFFAOYSA-N 1 0 327.384 2.780 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)[NH+](C)C ZINC000596072211 479121809 /nfs/dbraw/zinc/12/18/09/479121809.db2.gz ZSJFZVXVCMVXJT-INIZCTEOSA-N 1 0 336.436 2.733 20 5 EFBDRO O=c1[nH]ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000596073120 479122055 /nfs/dbraw/zinc/12/20/55/479122055.db2.gz FVBBRICTXPHKSC-UHFFFAOYSA-N 1 0 334.420 2.788 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599001014 479122084 /nfs/dbraw/zinc/12/20/84/479122084.db2.gz RABDSKCEWIHAPM-LSDHHAIUSA-N 1 0 348.447 2.995 20 5 EFBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076518 479123445 /nfs/dbraw/zinc/12/34/45/479123445.db2.gz GSBABHAAZQWNCZ-UHFFFAOYSA-N 1 0 334.420 2.618 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000596085091 479129333 /nfs/dbraw/zinc/12/93/33/479129333.db2.gz IKRORYQVPKKEEX-UHFFFAOYSA-N 1 0 327.812 2.815 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090003 479131740 /nfs/dbraw/zinc/13/17/40/479131740.db2.gz SUBITTJVPUUZQF-GXTWGEPZSA-N 1 0 328.372 2.943 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090005 479132405 /nfs/dbraw/zinc/13/24/05/479132405.db2.gz SUBITTJVPUUZQF-OCCSQVGLSA-N 1 0 328.372 2.943 20 5 EFBDRO COC(=O)CC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599035909 479133749 /nfs/dbraw/zinc/13/37/49/479133749.db2.gz PGEOEHJNXWJBBC-UHFFFAOYSA-N 1 0 336.388 2.685 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000602014906 479136661 /nfs/dbraw/zinc/13/66/61/479136661.db2.gz WUOUFCXDKPPOST-GFCCVEGCSA-N 1 0 331.372 2.879 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000493751572 479145383 /nfs/dbraw/zinc/14/53/83/479145383.db2.gz VMFPWURZCUXHOK-JXTAAOLFSA-N 1 0 347.390 2.691 20 5 EFBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599069003 479147956 /nfs/dbraw/zinc/14/79/56/479147956.db2.gz SKGSXEWCZHCFDA-ZFWWWQNUSA-N 1 0 337.420 2.699 20 5 EFBDRO CC1(C)C(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000569686839 479155348 /nfs/dbraw/zinc/15/53/48/479155348.db2.gz LORMSIGNWRTJBN-UHFFFAOYSA-N 1 0 340.445 2.640 20 5 EFBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])cc1Br ZINC000599097443 479160563 /nfs/dbraw/zinc/16/05/63/479160563.db2.gz IHMCPPQIHAXVMJ-UHFFFAOYSA-N 1 0 331.214 2.942 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593079998 479161963 /nfs/dbraw/zinc/16/19/63/479161963.db2.gz KAVKYISGVBAMHJ-NSHDSACASA-N 1 0 333.388 2.853 20 5 EFBDRO C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596144745 479162851 /nfs/dbraw/zinc/16/28/51/479162851.db2.gz MQYJGWSTVPRJRD-AWEZNQCLSA-N 1 0 342.399 2.796 20 5 EFBDRO COc1cc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1C ZINC000596148465 479163746 /nfs/dbraw/zinc/16/37/46/479163746.db2.gz ASJZNKVYXISKPY-HNNXBMFYSA-N 1 0 325.434 2.761 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596153311 479167124 /nfs/dbraw/zinc/16/71/24/479167124.db2.gz TYRHLUCDTMINDA-CYBMUJFWSA-N 1 0 327.450 2.902 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCSc1ccccc1 ZINC000569762252 479169352 /nfs/dbraw/zinc/16/93/52/479169352.db2.gz KMPINTSEVIMVCZ-CQSZACIVSA-N 1 0 348.424 2.716 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000573908051 479170215 /nfs/dbraw/zinc/17/02/15/479170215.db2.gz JCGFFZNWGVNHEJ-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000599128516 479171670 /nfs/dbraw/zinc/17/16/70/479171670.db2.gz MYEFNZGDCRSZPU-MRXNPFEDSA-N 1 0 343.431 2.675 20 5 EFBDRO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596163375 479172751 /nfs/dbraw/zinc/17/27/51/479172751.db2.gz SNMGZPJCDOCIAU-OCCSQVGLSA-N 1 0 328.372 2.770 20 5 EFBDRO C[NH+](C)CCN(CC1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596170104 479178126 /nfs/dbraw/zinc/17/81/26/479178126.db2.gz PHXWQRPBQVBGBI-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO CC[C@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000602983798 479179183 /nfs/dbraw/zinc/17/91/83/479179183.db2.gz UKHRVPNFKKPUOU-KRWDZBQOSA-N 1 0 331.372 2.987 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602993186 479184782 /nfs/dbraw/zinc/18/47/82/479184782.db2.gz SSXLRGSSVJEVGZ-UHFFFAOYSA-N 1 0 339.367 2.756 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000602997473 479186603 /nfs/dbraw/zinc/18/66/03/479186603.db2.gz KWJWSMDMYZXHGN-ULQDDVLXSA-N 1 0 347.415 2.549 20 5 EFBDRO CCOC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599157683 479186617 /nfs/dbraw/zinc/18/66/17/479186617.db2.gz CEGWNECEFNOQJF-AWEZNQCLSA-N 1 0 331.372 2.693 20 5 EFBDRO CCc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000569837674 479192264 /nfs/dbraw/zinc/19/22/64/479192264.db2.gz SYTWISYMJKAYGZ-KRWDZBQOSA-N 1 0 344.411 2.729 20 5 EFBDRO CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197656 479193020 /nfs/dbraw/zinc/19/30/20/479193020.db2.gz ZDROIABZUOLBNE-CHWSQXEVSA-N 1 0 342.852 2.659 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000610815106 479196338 /nfs/dbraw/zinc/19/63/38/479196338.db2.gz SEOAYAVTPUXWJL-WMLDXEAASA-N 1 0 334.416 2.559 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602140803 479199588 /nfs/dbraw/zinc/19/95/88/479199588.db2.gz IRMVBGLNESVBHA-ZDUSSCGKSA-N 1 0 345.321 2.714 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602150337 479204241 /nfs/dbraw/zinc/20/42/41/479204241.db2.gz HCJXYDMCOKBWDD-QGZVFWFLSA-N 1 0 331.416 2.613 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCC3)C1)OCCO2 ZINC000610860075 479212132 /nfs/dbraw/zinc/21/21/32/479212132.db2.gz DHAMSNSLHSDHLQ-AWEZNQCLSA-N 1 0 348.399 2.947 20 5 EFBDRO CCCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596235043 479216395 /nfs/dbraw/zinc/21/63/95/479216395.db2.gz RDQRLCQUJGLUJX-UHFFFAOYSA-N 1 0 348.447 2.786 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610877901 479219914 /nfs/dbraw/zinc/21/99/14/479219914.db2.gz WTNPAGMBZMUXLN-OAHLLOKOSA-N 1 0 333.432 2.861 20 5 EFBDRO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000593174915 479220556 /nfs/dbraw/zinc/22/05/56/479220556.db2.gz UFWYKXLQJQENDB-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO COc1ccc(NC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593178168 479221816 /nfs/dbraw/zinc/22/18/16/479221816.db2.gz SHKWLXWHNJDAEU-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000584730371 479222539 /nfs/dbraw/zinc/22/25/39/479222539.db2.gz QNSULSQFXHWDHG-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593187456 479228565 /nfs/dbraw/zinc/22/85/65/479228565.db2.gz KQGLDMLWIGUIKJ-GMTAPVOTSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593188568 479230227 /nfs/dbraw/zinc/23/02/27/479230227.db2.gz LWIQPQUVTRUSIA-IJLUTSLNSA-N 1 0 339.823 2.730 20 5 EFBDRO Cc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000603082426 479237038 /nfs/dbraw/zinc/23/70/38/479237038.db2.gz FQPGYPUBLRTXPH-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO CCN(Cc1ccoc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610944064 479238701 /nfs/dbraw/zinc/23/87/01/479238701.db2.gz ZVGSTNLQWGRUKK-INIZCTEOSA-N 1 0 329.356 2.815 20 5 EFBDRO Cc1c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000603084984 479239123 /nfs/dbraw/zinc/23/91/23/479239123.db2.gz ZAEAJPPGNSWZBZ-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000584804148 479246216 /nfs/dbraw/zinc/24/62/16/479246216.db2.gz ONFDQDKBDJIBLL-GFCCVEGCSA-N 1 0 335.404 2.910 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306754 479246424 /nfs/dbraw/zinc/24/64/24/479246424.db2.gz HWGCCMDNBSHXAR-CQSZACIVSA-N 1 0 349.431 2.843 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000557118334 479257751 /nfs/dbraw/zinc/25/77/51/479257751.db2.gz YHCJSZLGQNHUJH-JKIFEVAISA-N 1 0 331.416 2.784 20 5 EFBDRO C[C@H](CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596355451 479263937 /nfs/dbraw/zinc/26/39/37/479263937.db2.gz APQQVSCYTKAVHS-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC000611080237 479278156 /nfs/dbraw/zinc/27/81/56/479278156.db2.gz NHZCPSRHLHQANI-UHFFFAOYSA-N 1 0 347.371 2.518 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3c([N+](=O)[O-])ncn3C)C2)s1 ZINC000585092020 479278894 /nfs/dbraw/zinc/27/88/94/479278894.db2.gz BFDFTNOJSXJHIU-ZDUSSCGKSA-N 1 0 349.460 2.657 20 5 EFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3c([N+](=O)[O-])ncn3C)C2)s1 ZINC000585092019 479279021 /nfs/dbraw/zinc/27/90/21/479279021.db2.gz BFDFTNOJSXJHIU-CYBMUJFWSA-N 1 0 349.460 2.657 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000596436343 479294519 /nfs/dbraw/zinc/29/45/19/479294519.db2.gz MIRSOBMWNQYVBN-UHFFFAOYSA-N 1 0 327.388 2.709 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603199569 479298909 /nfs/dbraw/zinc/29/89/09/479298909.db2.gz CEPIFVJUAWHISJ-UHFFFAOYSA-N 1 0 345.403 2.688 20 5 EFBDRO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000611166127 479299503 /nfs/dbraw/zinc/29/95/03/479299503.db2.gz KPVQXRQLNZYTQS-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000611177963 479302530 /nfs/dbraw/zinc/30/25/30/479302530.db2.gz HGYJCGXYMRHBAS-SFHVURJKSA-N 1 0 342.395 2.509 20 5 EFBDRO Cc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596458315 479302897 /nfs/dbraw/zinc/30/28/97/479302897.db2.gz HLARQHLLHHKJKI-SWLSCSKDSA-N 1 0 340.383 2.556 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611178566 479304279 /nfs/dbraw/zinc/30/42/79/479304279.db2.gz XUQWXJMHNPTQOY-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCOCC2)CC1 ZINC000599473163 479307628 /nfs/dbraw/zinc/30/76/28/479307628.db2.gz YTOVNAXJDIMQOT-OAHLLOKOSA-N 1 0 333.432 2.761 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](C2CCCC2)CC1 ZINC000611195264 479307786 /nfs/dbraw/zinc/30/77/86/479307786.db2.gz NPAVYHFIBLCTHI-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611195874 479308380 /nfs/dbraw/zinc/30/83/80/479308380.db2.gz CILGJHNOXFOHHT-GFCCVEGCSA-N 1 0 342.399 2.823 20 5 EFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611205220 479310558 /nfs/dbraw/zinc/31/05/58/479310558.db2.gz OECLQSIQGJJXSO-KBPBESRZSA-N 1 0 335.404 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000585718705 479315985 /nfs/dbraw/zinc/31/59/85/479315985.db2.gz ULQZLVSXBDUQGE-IBGZPJMESA-N 1 0 342.395 2.748 20 5 EFBDRO COCCC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000599507601 479316342 /nfs/dbraw/zinc/31/63/42/479316342.db2.gz ZVCKYVGENVQGSE-UHFFFAOYSA-N 1 0 338.404 2.731 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596499001 479317955 /nfs/dbraw/zinc/31/79/55/479317955.db2.gz KKZACLNEGCAPRU-AWEZNQCLSA-N 1 0 332.404 2.838 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1O ZINC000574633130 479320190 /nfs/dbraw/zinc/32/01/90/479320190.db2.gz DAKKRUYMCYVVAU-KGLIPLIRSA-N 1 0 346.387 2.779 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248451 479322698 /nfs/dbraw/zinc/32/26/98/479322698.db2.gz GDCPUWUUPLBTQM-KGLIPLIRSA-N 1 0 338.404 2.697 20 5 EFBDRO Cc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611254054 479324599 /nfs/dbraw/zinc/32/45/99/479324599.db2.gz KIYVCFCNMSJEJH-KRWDZBQOSA-N 1 0 333.432 2.590 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253740 479324710 /nfs/dbraw/zinc/32/47/10/479324710.db2.gz MTRCFOGFUCRZEK-UHFFFAOYSA-N 1 0 349.431 2.671 20 5 EFBDRO COC1CCC([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271830 479331593 /nfs/dbraw/zinc/33/15/93/479331593.db2.gz SASOQNYEGOLHKX-UHFFFAOYSA-N 1 0 336.388 2.755 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611273781 479333461 /nfs/dbraw/zinc/33/34/61/479333461.db2.gz QYYWFGILDZKSHQ-UKRRQHHQSA-N 1 0 349.431 2.671 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274528 479334504 /nfs/dbraw/zinc/33/45/04/479334504.db2.gz KPUWTZIQIBGCEZ-AWEZNQCLSA-N 1 0 349.431 2.530 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)OCCO2 ZINC000611274859 479334637 /nfs/dbraw/zinc/33/46/37/479334637.db2.gz YJAWPNGPOFKVCH-AWEZNQCLSA-N 1 0 348.399 2.615 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000574731524 479337074 /nfs/dbraw/zinc/33/70/74/479337074.db2.gz DDZPLHXZOJDUBI-NSHDSACASA-N 1 0 333.392 2.776 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000574729516 479337594 /nfs/dbraw/zinc/33/75/94/479337594.db2.gz RNIXLFCOVPRREV-WMLDXEAASA-N 1 0 347.415 2.731 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(C)COC1 ZINC000599571734 479337759 /nfs/dbraw/zinc/33/77/59/479337759.db2.gz SUUMHTQQMFDOGZ-NSHDSACASA-N 1 0 332.360 2.674 20 5 EFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611286824 479338821 /nfs/dbraw/zinc/33/88/21/479338821.db2.gz QPKQAAULVGWYAX-NANANXAMSA-N 1 0 345.443 2.792 20 5 EFBDRO CC(C)Oc1nc(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596563252 479340466 /nfs/dbraw/zinc/34/04/66/479340466.db2.gz SKWYNMLTMITZHB-UHFFFAOYSA-N 1 0 348.447 2.733 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599585661 479341034 /nfs/dbraw/zinc/34/10/34/479341034.db2.gz GEFUXDJQHDLTDT-BXKDBHETSA-N 1 0 346.309 2.586 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574770986 479346646 /nfs/dbraw/zinc/34/66/46/479346646.db2.gz NMWMJAKZPYRDQX-KRWDZBQOSA-N 1 0 339.395 2.910 20 5 EFBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000599603029 479348597 /nfs/dbraw/zinc/34/85/97/479348597.db2.gz CWUJZVRDMHGVNP-CABZTGNLSA-N 1 0 346.309 2.586 20 5 EFBDRO CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000596589697 479350695 /nfs/dbraw/zinc/35/06/95/479350695.db2.gz BUDJMHMVGHSNSS-MRXNPFEDSA-N 1 0 340.383 2.672 20 5 EFBDRO COc1ccc(NC(=O)CN2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599624835 479357278 /nfs/dbraw/zinc/35/72/78/479357278.db2.gz ZLCMJIDHYUMNRG-SNVBAGLBSA-N 1 0 343.330 2.662 20 5 EFBDRO CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000574856287 479359441 /nfs/dbraw/zinc/35/94/41/479359441.db2.gz BOLBMWLWLIOEBE-MRXNPFEDSA-N 1 0 331.416 2.904 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000593481310 479360469 /nfs/dbraw/zinc/36/04/69/479360469.db2.gz JOFIHMFXKJVOLI-WFASDCNBSA-N 1 0 337.395 2.608 20 5 EFBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483483 479360702 /nfs/dbraw/zinc/36/07/02/479360702.db2.gz RKFJPJGUHKZWRR-JTQLQIEISA-N 1 0 345.321 2.701 20 5 EFBDRO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCOC1 ZINC000602486049 479362329 /nfs/dbraw/zinc/36/23/29/479362329.db2.gz UQARDWQPJUUKRV-MRVPVSSYSA-N 1 0 335.223 2.887 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000611374344 479362328 /nfs/dbraw/zinc/36/23/28/479362328.db2.gz ORCUYMOZGKLONE-QWHCGFSZSA-N 1 0 334.420 2.685 20 5 EFBDRO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCOC1 ZINC000602486051 479362975 /nfs/dbraw/zinc/36/29/75/479362975.db2.gz UQARDWQPJUUKRV-QMMMGPOBSA-N 1 0 335.223 2.887 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599641111 479363928 /nfs/dbraw/zinc/36/39/28/479363928.db2.gz OBYMPJZYNAUVOX-WBVHZDCISA-N 1 0 332.404 2.510 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593489857 479364422 /nfs/dbraw/zinc/36/44/22/479364422.db2.gz YNPKXRDQKHRANZ-HNNXBMFYSA-N 1 0 337.395 2.609 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000603399545 479370323 /nfs/dbraw/zinc/37/03/23/479370323.db2.gz CEUWDTLCTJMTHF-CYBMUJFWSA-N 1 0 337.395 2.732 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000603399547 479370477 /nfs/dbraw/zinc/37/04/77/479370477.db2.gz CEUWDTLCTJMTHF-ZDUSSCGKSA-N 1 0 337.395 2.732 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000603403773 479372421 /nfs/dbraw/zinc/37/24/21/479372421.db2.gz YDFDVJWICMYSJG-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602508200 479372796 /nfs/dbraw/zinc/37/27/96/479372796.db2.gz ADYPNYMRXHXUDV-LLVKDONJSA-N 1 0 329.360 2.667 20 5 EFBDRO CN(CC[NH+]1CCCCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000593516466 479374117 /nfs/dbraw/zinc/37/41/17/479374117.db2.gz NXLUNJXRNGZLPE-UHFFFAOYSA-N 1 0 343.225 2.674 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCn2cccn2)cc1Br ZINC000602511411 479374374 /nfs/dbraw/zinc/37/43/74/479374374.db2.gz RCEQCVYTRHTDJW-UHFFFAOYSA-N 1 0 345.222 2.795 20 5 EFBDRO CNc1c(C(=O)N(C)CCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000603406619 479374782 /nfs/dbraw/zinc/37/47/82/479374782.db2.gz MNUZWCWKISRHSC-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO Cc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000602512754 479375951 /nfs/dbraw/zinc/37/59/51/479375951.db2.gz UECRNZZFHDSJTK-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602511789 479376664 /nfs/dbraw/zinc/37/66/64/479376664.db2.gz RCTNGEDWVADCPM-OAHLLOKOSA-N 1 0 335.379 2.584 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000602517671 479377437 /nfs/dbraw/zinc/37/74/37/479377437.db2.gz JFRMSGNNKTUMMI-UHFFFAOYSA-N 1 0 330.388 2.700 20 5 EFBDRO COc1ccc(C(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603415242 479378239 /nfs/dbraw/zinc/37/82/39/479378239.db2.gz WOXZZTPXVPIBBT-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000602523448 479380035 /nfs/dbraw/zinc/38/00/35/479380035.db2.gz CPMYNTLANDJSLT-ZDUSSCGKSA-N 1 0 332.404 2.946 20 5 EFBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000602528882 479382991 /nfs/dbraw/zinc/38/29/91/479382991.db2.gz PCUAVFQWTMOOSW-UHFFFAOYSA-N 1 0 339.395 2.706 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599672512 479384735 /nfs/dbraw/zinc/38/47/35/479384735.db2.gz DWLWHBDDGVHSBF-UHFFFAOYSA-N 1 0 343.811 2.670 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CCCCC1 ZINC000611463001 479385737 /nfs/dbraw/zinc/38/57/37/479385737.db2.gz LGHBDZYXWDNAJQ-UHFFFAOYSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602538822 479387930 /nfs/dbraw/zinc/38/79/30/479387930.db2.gz CMDVKSYENBXWKV-CMPLNLGQSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602542095 479389708 /nfs/dbraw/zinc/38/97/08/479389708.db2.gz SXYBPZQEFCHVNH-AAEUAGOBSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542473 479390154 /nfs/dbraw/zinc/39/01/54/479390154.db2.gz YHYRZVAGQOGCGJ-NEPJUHHUSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000602550874 479392502 /nfs/dbraw/zinc/39/25/02/479392502.db2.gz DUORSQCHTBGTPW-LBPRGKRZSA-N 1 0 340.305 2.984 20 5 EFBDRO COC(C)(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555846 479395556 /nfs/dbraw/zinc/39/55/56/479395556.db2.gz BFEYYYWHYAXZNN-ZDUSSCGKSA-N 1 0 336.436 2.752 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602562611 479398312 /nfs/dbraw/zinc/39/83/12/479398312.db2.gz XHIONINVVVLIJW-QAPCUYQASA-N 1 0 348.447 2.752 20 5 EFBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565712 479399927 /nfs/dbraw/zinc/39/99/27/479399927.db2.gz RQINFRAHTBNQPL-XCBNKYQSSA-N 1 0 337.239 2.915 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514172 479401416 /nfs/dbraw/zinc/40/14/16/479401416.db2.gz UBYLEXGYZQYEBS-UHFFFAOYSA-N 1 0 345.346 2.610 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611515106 479401740 /nfs/dbraw/zinc/40/17/40/479401740.db2.gz XZDMVDDDFZZFAY-NVXWUHKLSA-N 1 0 333.432 2.761 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000602570003 479402165 /nfs/dbraw/zinc/40/21/65/479402165.db2.gz RCHCNDCYAKSNMF-HNNXBMFYSA-N 1 0 346.431 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cn1 ZINC000602569804 479402356 /nfs/dbraw/zinc/40/23/56/479402356.db2.gz SJICJZIOYVXOIG-BRWVUGGUSA-N 1 0 346.431 2.506 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570939 479402440 /nfs/dbraw/zinc/40/24/40/479402440.db2.gz YMONNOSOWVZYRT-GFCCVEGCSA-N 1 0 345.321 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000602577447 479406161 /nfs/dbraw/zinc/40/61/61/479406161.db2.gz SZHXNXGOXOSVIL-CQSZACIVSA-N 1 0 330.363 2.540 20 5 EFBDRO [NH3+][C@H]1CCCCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602577762 479406195 /nfs/dbraw/zinc/40/61/95/479406195.db2.gz AQXPZJAGNYQILZ-HNNXBMFYSA-N 1 0 331.416 2.746 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602576211 479406237 /nfs/dbraw/zinc/40/62/37/479406237.db2.gz JXNFNCIHKMQSCM-NWDGAFQWSA-N 1 0 345.321 2.618 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000603589928 479409848 /nfs/dbraw/zinc/40/98/48/479409848.db2.gz PRYQGFAWQKTCHD-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCCO1 ZINC000602587084 479412127 /nfs/dbraw/zinc/41/21/27/479412127.db2.gz ONYCBELBWIMROY-CJNGLKHVSA-N 1 0 334.420 2.506 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554805 479414352 /nfs/dbraw/zinc/41/43/52/479414352.db2.gz XRMIMTZPEWEQJI-JJEJIETFSA-N 1 0 339.395 2.934 20 5 EFBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602605306 479419862 /nfs/dbraw/zinc/41/98/62/479419862.db2.gz YYNUPKOQCUCQLP-MGCOHNPYSA-N 1 0 331.294 2.613 20 5 EFBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593682139 479421615 /nfs/dbraw/zinc/42/16/15/479421615.db2.gz NVDBUMSWSTVVKA-STQMWFEESA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593681250 479421700 /nfs/dbraw/zinc/42/17/00/479421700.db2.gz BQJWGTJISMIESS-QWHCGFSZSA-N 1 0 335.404 2.717 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1OC ZINC000602614783 479423926 /nfs/dbraw/zinc/42/39/26/479423926.db2.gz DCUQGTULEFNMJH-BNOWGMLFSA-N 1 0 348.321 2.896 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000602616496 479426010 /nfs/dbraw/zinc/42/60/10/479426010.db2.gz JSRSAEDNZAKGBA-ZDUSSCGKSA-N 1 0 334.294 2.509 20 5 EFBDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000602624991 479431336 /nfs/dbraw/zinc/43/13/36/479431336.db2.gz WEBCKPALWHIXNY-AWEZNQCLSA-N 1 0 325.368 2.996 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000593719553 479433946 /nfs/dbraw/zinc/43/39/46/479433946.db2.gz FIORSQBHJQLCHZ-WMZOPIPTSA-N 1 0 334.416 2.838 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000593719551 479434430 /nfs/dbraw/zinc/43/44/30/479434430.db2.gz FIORSQBHJQLCHZ-SJLPKXTDSA-N 1 0 334.416 2.838 20 5 EFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602641828 479442258 /nfs/dbraw/zinc/44/22/58/479442258.db2.gz FMWZAQATMLGHCD-CQSZACIVSA-N 1 0 345.321 2.572 20 5 EFBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000611701879 479449937 /nfs/dbraw/zinc/44/99/37/479449937.db2.gz RJZBLAWAOYHCGT-STQMWFEESA-N 1 0 329.404 2.635 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593763302 479452969 /nfs/dbraw/zinc/45/29/69/479452969.db2.gz JCJKTEFVAFJQHZ-UHFFFAOYSA-N 1 0 336.392 2.505 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000611712174 479454263 /nfs/dbraw/zinc/45/42/63/479454263.db2.gz XETNBBOCXVISJP-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602665435 479460080 /nfs/dbraw/zinc/46/00/80/479460080.db2.gz JHSAVIJRYKBQDB-SWLSCSKDSA-N 1 0 330.388 2.652 20 5 EFBDRO CCCCN(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602668588 479461927 /nfs/dbraw/zinc/46/19/27/479461927.db2.gz DDXYVOVQEIWZNM-HNNXBMFYSA-N 1 0 349.479 2.669 20 5 EFBDRO C[C@H](CCCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602672687 479465768 /nfs/dbraw/zinc/46/57/68/479465768.db2.gz FHYUZOHMDWTVGQ-MRVPVSSYSA-N 1 0 337.239 2.917 20 5 EFBDRO O=[N+]([O-])c1ccc(CCNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000602676295 479469299 /nfs/dbraw/zinc/46/92/99/479469299.db2.gz LVNPBFXJSLHBDU-LJQANCHMSA-N 1 0 341.411 2.816 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCC[C@H]2CO)cc1Br ZINC000602679697 479470217 /nfs/dbraw/zinc/47/02/17/479470217.db2.gz AHFJRWWHQPMFQB-XVKPBYJWSA-N 1 0 335.223 2.669 20 5 EFBDRO CCCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677703 479470727 /nfs/dbraw/zinc/47/07/27/479470727.db2.gz SASUAHBHPREGAJ-HNNXBMFYSA-N 1 0 349.479 2.669 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000596882729 479471587 /nfs/dbraw/zinc/47/15/87/479471587.db2.gz VZJWTVCIBHUVIT-INIZCTEOSA-N 1 0 348.447 2.999 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602681676 479471752 /nfs/dbraw/zinc/47/17/52/479471752.db2.gz KKVKHJDAONYIOY-ZDUSSCGKSA-N 1 0 344.419 2.526 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000611772943 479473504 /nfs/dbraw/zinc/47/35/04/479473504.db2.gz SFWLLPPVZRSBBS-HNNXBMFYSA-N 1 0 339.823 2.545 20 5 EFBDRO CC1(C)C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602689075 479477229 /nfs/dbraw/zinc/47/72/29/479477229.db2.gz VVMMDAJXSFWREY-AWEZNQCLSA-N 1 0 348.447 2.753 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589104179 479477681 /nfs/dbraw/zinc/47/76/81/479477681.db2.gz VUYIYOHZARCKPE-ZDUSSCGKSA-N 1 0 338.770 2.919 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000589113527 479480448 /nfs/dbraw/zinc/48/04/48/479480448.db2.gz DEPPVEXJIIFCQG-QWRGUYRKSA-N 1 0 347.337 2.505 20 5 EFBDRO COc1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cccc1[N+](=O)[O-] ZINC000589136699 479484707 /nfs/dbraw/zinc/48/47/07/479484707.db2.gz BAFSQNMQUODVCU-YOGCLGLASA-N 1 0 344.371 2.994 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599991476 479489756 /nfs/dbraw/zinc/48/97/56/479489756.db2.gz HADZOQYDOXDBFP-FOLVSLTJSA-N 1 0 349.456 2.729 20 5 EFBDRO C[C@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602709070 479493506 /nfs/dbraw/zinc/49/35/06/479493506.db2.gz ZRRUTYRDBMBQJU-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO [NH3+]CCN(Cc1ncccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000589190897 479494935 /nfs/dbraw/zinc/49/49/35/479494935.db2.gz UJZQYRHQTOQZKF-UHFFFAOYSA-N 1 0 340.305 2.974 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(C3CCCC3)C2)n1 ZINC000618567939 479495470 /nfs/dbraw/zinc/49/54/70/479495470.db2.gz MJLDXJKWEWPWBE-HYVNUMGLSA-N 1 0 347.463 2.882 20 5 EFBDRO CCCN(CCC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198055 479496594 /nfs/dbraw/zinc/49/65/94/479496594.db2.gz VGDWBFMGWUDFTP-UHFFFAOYSA-N 1 0 337.420 2.530 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000602713004 479496846 /nfs/dbraw/zinc/49/68/46/479496846.db2.gz XRWOQPAWGVVVEY-DZGCQCFKSA-N 1 0 330.388 2.843 20 5 EFBDRO CCOc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593884984 479496964 /nfs/dbraw/zinc/49/69/64/479496964.db2.gz ZBJHQAFMFREYAH-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CO)CCCCC2)n1 ZINC000618571878 479497187 /nfs/dbraw/zinc/49/71/87/479497187.db2.gz JGVTWUFNJQZBJI-LSDHHAIUSA-N 1 0 336.436 2.807 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000602713006 479497324 /nfs/dbraw/zinc/49/73/24/479497324.db2.gz XRWOQPAWGVVVEY-UKRRQHHQSA-N 1 0 330.388 2.843 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000593883712 479497407 /nfs/dbraw/zinc/49/74/07/479497407.db2.gz RWZKHAMYHSVDQJ-UHFFFAOYSA-N 1 0 342.399 2.701 20 5 EFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604305051 479498081 /nfs/dbraw/zinc/49/80/81/479498081.db2.gz QGEKATVUQIAGIR-OAHLLOKOSA-N 1 0 336.388 2.781 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000575907892 479498525 /nfs/dbraw/zinc/49/85/25/479498525.db2.gz VQDCMEBWJWQMGN-JBXOJTMHSA-N 1 0 343.427 2.942 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCN3CC(F)F)nc2c1 ZINC000602719387 479502332 /nfs/dbraw/zinc/50/23/32/479502332.db2.gz CSZUZPARYCENTO-LLVKDONJSA-N 1 0 340.330 2.555 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593915301 479507777 /nfs/dbraw/zinc/50/77/77/479507777.db2.gz IJKXJFTVLXHPHE-ABAIWWIYSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593916840 479508308 /nfs/dbraw/zinc/50/83/08/479508308.db2.gz SJBWSZKGZYBVEI-MLGOLLRUSA-N 1 0 346.431 2.759 20 5 EFBDRO C[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593915971 479508871 /nfs/dbraw/zinc/50/88/71/479508871.db2.gz MMMCDDQFFSXUST-YOEHRIQHSA-N 1 0 348.447 2.763 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915969 479508972 /nfs/dbraw/zinc/50/89/72/479508972.db2.gz MMMCDDQFFSXUST-RHSMWYFYSA-N 1 0 348.447 2.763 20 5 EFBDRO Cn1nccc1N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000618601570 479510221 /nfs/dbraw/zinc/51/02/21/479510221.db2.gz XMSMOXDKJCNWRP-HQQUCIOCSA-N 1 0 341.415 2.600 20 5 EFBDRO CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)F ZINC000602729356 479511790 /nfs/dbraw/zinc/51/17/90/479511790.db2.gz IQMWSCCCKKLOFA-UHFFFAOYSA-N 1 0 341.280 2.900 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604472209 479522599 /nfs/dbraw/zinc/52/25/99/479522599.db2.gz MNPFTWDSMQAZSK-HNNXBMFYSA-N 1 0 342.399 2.565 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604472165 479522771 /nfs/dbraw/zinc/52/27/71/479522771.db2.gz GPHDBFIONRMPGZ-HNNXBMFYSA-N 1 0 342.399 2.565 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938966 479526528 /nfs/dbraw/zinc/52/65/28/479526528.db2.gz DCZVIHLHPZGXGG-QWHCGFSZSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939333 479526574 /nfs/dbraw/zinc/52/65/74/479526574.db2.gz INMFVINJHRRLHG-CHWSQXEVSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938538 479527433 /nfs/dbraw/zinc/52/74/33/479527433.db2.gz FKZLTLYMEZRILN-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611939263 479527625 /nfs/dbraw/zinc/52/76/25/479527625.db2.gz GLKXQPGNUIHZBZ-CYBMUJFWSA-N 1 0 340.383 2.538 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000602760728 479533370 /nfs/dbraw/zinc/53/33/70/479533370.db2.gz AJWAGJXLHXDWDU-UHFFFAOYSA-N 1 0 336.367 2.640 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000602761905 479533565 /nfs/dbraw/zinc/53/35/65/479533565.db2.gz BTJBHTZQVCTQSM-KRWDZBQOSA-N 1 0 344.415 2.781 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000602764052 479535553 /nfs/dbraw/zinc/53/55/53/479535553.db2.gz ACOHDGWWFYUECS-KRWDZBQOSA-N 1 0 349.479 2.544 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000602767050 479536775 /nfs/dbraw/zinc/53/67/75/479536775.db2.gz UZKQNFLGSPFVPI-UHFFFAOYSA-N 1 0 336.436 2.913 20 5 EFBDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593994241 479537932 /nfs/dbraw/zinc/53/79/32/479537932.db2.gz XFRVWLPYJJNBPV-CYBMUJFWSA-N 1 0 349.822 2.655 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000602773454 479543035 /nfs/dbraw/zinc/54/30/35/479543035.db2.gz TWKYYIIXLRKJSC-INIZCTEOSA-N 1 0 330.388 2.563 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000604561530 479544846 /nfs/dbraw/zinc/54/48/46/479544846.db2.gz BNJLMCBLOAWEFY-GFCCVEGCSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000602780509 479547904 /nfs/dbraw/zinc/54/79/04/479547904.db2.gz VLVOQOUQWFWETG-QGZVFWFLSA-N 1 0 343.431 2.701 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000602779788 479549055 /nfs/dbraw/zinc/54/90/55/479549055.db2.gz RCTKLALAANWPOS-KRWDZBQOSA-N 1 0 346.431 2.619 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594020703 479551865 /nfs/dbraw/zinc/55/18/65/479551865.db2.gz LOKBGVMFJHQXSY-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000602787344 479553997 /nfs/dbraw/zinc/55/39/97/479553997.db2.gz PUDNPIQJHSPCHN-UHFFFAOYSA-N 1 0 330.388 2.718 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000612028261 479554140 /nfs/dbraw/zinc/55/41/40/479554140.db2.gz YCPFAMYBCNRGHL-GOEBONIOSA-N 1 0 328.368 2.612 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594021597 479554337 /nfs/dbraw/zinc/55/43/37/479554337.db2.gz WOMCJNWVECEFHE-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000602794775 479558766 /nfs/dbraw/zinc/55/87/66/479558766.db2.gz JODXOSCWWQKQAV-MRXNPFEDSA-N 1 0 329.404 2.676 20 5 EFBDRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000602800185 479562645 /nfs/dbraw/zinc/56/26/45/479562645.db2.gz KGPLHUVRMDPEFR-NSHDSACASA-N 1 0 348.428 2.717 20 5 EFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000602802969 479564716 /nfs/dbraw/zinc/56/47/16/479564716.db2.gz SYKFPVITTRIJTQ-AWEZNQCLSA-N 1 0 346.387 2.612 20 5 EFBDRO COc1ccc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)cc1 ZINC000602805054 479565866 /nfs/dbraw/zinc/56/58/66/479565866.db2.gz LCEBFLYJKKTXJK-QGZVFWFLSA-N 1 0 330.388 2.849 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000602807943 479567628 /nfs/dbraw/zinc/56/76/28/479567628.db2.gz VNDGFUZMPKJXHX-OAHLLOKOSA-N 1 0 330.388 2.501 20 5 EFBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000600181490 479567879 /nfs/dbraw/zinc/56/78/79/479567879.db2.gz QPLKPBNRBVXLEV-VURMDHGXSA-N 1 0 328.372 2.937 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCCCC2 ZINC000602820380 479575236 /nfs/dbraw/zinc/57/52/36/479575236.db2.gz KCIRWIOLTSWIPQ-HUUCEWRRSA-N 1 0 336.436 2.817 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCO[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000602822092 479575606 /nfs/dbraw/zinc/57/56/06/479575606.db2.gz RKQOSIKULOUXMP-HUUCEWRRSA-N 1 0 349.431 2.541 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594077867 479581072 /nfs/dbraw/zinc/58/10/72/479581072.db2.gz BAOFLUBHMMFOER-ZIAGYGMSSA-N 1 0 348.403 2.742 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000589886813 479581161 /nfs/dbraw/zinc/58/11/61/479581161.db2.gz CXGUIPKIZHGEJN-CQSZACIVSA-N 1 0 346.431 2.613 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594094441 479586402 /nfs/dbraw/zinc/58/64/02/479586402.db2.gz JYGLEVMELYPWLM-HIFRSBDPSA-N 1 0 348.403 2.742 20 5 EFBDRO CC(C)C([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000612121327 479590338 /nfs/dbraw/zinc/59/03/38/479590338.db2.gz FISCPEUAGNIJRE-UHFFFAOYSA-N 1 0 328.434 2.639 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000590032889 479594800 /nfs/dbraw/zinc/59/48/00/479594800.db2.gz HEAUEEQBZDZUAU-ZDUSSCGKSA-N 1 0 333.432 2.719 20 5 EFBDRO COC(=O)COc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000590052873 479597681 /nfs/dbraw/zinc/59/76/81/479597681.db2.gz OQINIYSAQQEYON-UHFFFAOYSA-N 1 0 348.399 2.769 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590146734 479609943 /nfs/dbraw/zinc/60/99/43/479609943.db2.gz PBLXYIBWVYQMGD-OAHLLOKOSA-N 1 0 341.415 2.891 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602892169 479616031 /nfs/dbraw/zinc/61/60/31/479616031.db2.gz RAKINIDWJYCLTM-CVEARBPZSA-N 1 0 338.379 2.534 20 5 EFBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1COCCO1 ZINC000597206646 479620350 /nfs/dbraw/zinc/62/03/50/479620350.db2.gz PSPDUARIFMMTLQ-MRXNPFEDSA-N 1 0 332.356 2.702 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000597207185 479621405 /nfs/dbraw/zinc/62/14/05/479621405.db2.gz SQEKZLZVZHPGEV-OUOSUHLLSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594196156 479626598 /nfs/dbraw/zinc/62/65/98/479626598.db2.gz LBVTWOWHLLUBPO-ZIAGYGMSSA-N 1 0 349.456 2.820 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000594195693 479626622 /nfs/dbraw/zinc/62/66/22/479626622.db2.gz HIDXNBQNMIITGJ-GJZGRUSLSA-N 1 0 337.807 2.995 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195709 479626765 /nfs/dbraw/zinc/62/67/65/479626765.db2.gz HQOQGOGFPNPOMM-HZPDHXFCSA-N 1 0 331.416 2.958 20 5 EFBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594196154 479626837 /nfs/dbraw/zinc/62/68/37/479626837.db2.gz LBVTWOWHLLUBPO-UONOGXRCSA-N 1 0 349.456 2.820 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195708 479627463 /nfs/dbraw/zinc/62/74/63/479627463.db2.gz HQOQGOGFPNPOMM-HOTGVXAUSA-N 1 0 331.416 2.958 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1C ZINC000594197501 479628476 /nfs/dbraw/zinc/62/84/76/479628476.db2.gz OUGYQDIVJYQSLA-HUUCEWRRSA-N 1 0 347.415 2.659 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594198981 479628928 /nfs/dbraw/zinc/62/89/28/479628928.db2.gz WZMCEDVWSDVWQJ-OLZOCXBDSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198708 479629816 /nfs/dbraw/zinc/62/98/16/479629816.db2.gz VEJGFQKJQNUVCV-IAGOWNOFSA-N 1 0 331.416 2.661 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594201737 479630465 /nfs/dbraw/zinc/63/04/65/479630465.db2.gz QOIFEEXYDVHFAX-LSDHHAIUSA-N 1 0 347.415 2.740 20 5 EFBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597227209 479631968 /nfs/dbraw/zinc/63/19/68/479631968.db2.gz ATPKNUXVRASHRT-YFCVBGDOSA-N 1 0 329.400 2.552 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)CO ZINC000597237041 479636271 /nfs/dbraw/zinc/63/62/71/479636271.db2.gz WARJRWYNOMCISK-BMIGLBTASA-N 1 0 330.331 2.647 20 5 EFBDRO CC(C)[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000590386046 479637155 /nfs/dbraw/zinc/63/71/55/479637155.db2.gz TYNLXXZKCWPHLC-QGZVFWFLSA-N 1 0 336.388 2.613 20 5 EFBDRO CCc1nocc1CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590377553 479637342 /nfs/dbraw/zinc/63/73/42/479637342.db2.gz IOMXDPKOXPDIES-UHFFFAOYSA-N 1 0 333.344 2.548 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000590538042 479657307 /nfs/dbraw/zinc/65/73/07/479657307.db2.gz OGTKBPHCRQNAHF-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000612483461 479679995 /nfs/dbraw/zinc/67/99/95/479679995.db2.gz JRAVBKVTFRHLQC-NWDGAFQWSA-N 1 0 337.395 2.684 20 5 EFBDRO C[C@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000612488674 479680736 /nfs/dbraw/zinc/68/07/36/479680736.db2.gz FQVVQOMKJLARCP-JTQLQIEISA-N 1 0 332.335 2.937 20 5 EFBDRO C[C@@H](C(=O)N(C)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000612485918 479680855 /nfs/dbraw/zinc/68/08/55/479680855.db2.gz CSAREAWCEDPFNY-GFCCVEGCSA-N 1 0 325.384 2.638 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000612691922 479733785 /nfs/dbraw/zinc/73/37/85/479733785.db2.gz UFDQREVPNDGJAU-TVCHPBECSA-N 1 0 332.400 2.924 20 5 EFBDRO COC1CCN(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615724085 479744699 /nfs/dbraw/zinc/74/46/99/479744699.db2.gz LKRJVIBRDUVUFM-QINSGFPZSA-N 1 0 333.432 2.699 20 5 EFBDRO COc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000619434411 479789059 /nfs/dbraw/zinc/78/90/59/479789059.db2.gz ZXQBVVXBMYUICZ-AWEZNQCLSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+]1CCCN(CCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000615942245 479789550 /nfs/dbraw/zinc/78/95/50/479789550.db2.gz PYQMZJDMKPDOKI-UHFFFAOYSA-N 1 0 326.828 2.688 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000619482999 479807874 /nfs/dbraw/zinc/80/78/74/479807874.db2.gz CKZBTQWHLFQTHM-MRXNPFEDSA-N 1 0 343.431 2.830 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC(F)(F)C1)OCCO2 ZINC000619530065 479819582 /nfs/dbraw/zinc/81/95/82/479819582.db2.gz WTGPTPVERXQQKH-SNVBAGLBSA-N 1 0 328.315 2.891 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000619574127 479832556 /nfs/dbraw/zinc/83/25/56/479832556.db2.gz RKTIGUCRANXECV-UHFFFAOYSA-N 1 0 335.429 2.675 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000619655379 479850969 /nfs/dbraw/zinc/85/09/69/479850969.db2.gz DODPDHDJYYXCKL-SUOMESGTSA-N 1 0 340.379 2.868 20 5 EFBDRO CCc1cc(N2CC[N@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609450874 480161811 /nfs/dbraw/zinc/16/18/11/480161811.db2.gz ZXBVQHOCSXJKGG-ZDUSSCGKSA-N 1 0 341.415 2.755 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609557042 480174998 /nfs/dbraw/zinc/17/49/98/480174998.db2.gz MTXOYWIYYFPWTC-ZFWWWQNUSA-N 1 0 334.420 2.828 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609595636 480183316 /nfs/dbraw/zinc/18/33/16/480183316.db2.gz VGPITAYOVWLOFV-OAHLLOKOSA-N 1 0 348.447 2.700 20 5 EFBDRO Cc1nn(C)c(N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000609631819 480191864 /nfs/dbraw/zinc/19/18/64/480191864.db2.gz NFOGGZUOSJDJKJ-UHFFFAOYSA-N 1 0 335.452 2.729 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610062194 480232646 /nfs/dbraw/zinc/23/26/46/480232646.db2.gz YDOPQPNPLOJNEM-CQSZACIVSA-N 1 0 333.432 2.719 20 5 EFBDRO Cc1cc(N2CC[C@@H](C)[S@@](=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000617483679 480236771 /nfs/dbraw/zinc/23/67/71/480236771.db2.gz JEWCWPXMJPJEEV-SPSFWMDKSA-N 1 0 333.413 2.799 20 5 EFBDRO O=[N+]([O-])c1ncccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000610278694 480269683 /nfs/dbraw/zinc/26/96/83/480269683.db2.gz KAHUCCHOKRPDNM-UHFFFAOYSA-N 1 0 342.399 2.627 20 5 EFBDRO C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1[N+](=O)[O-] ZINC000610342233 480283495 /nfs/dbraw/zinc/28/34/95/480283495.db2.gz ALKLNQLSDNIRLK-UONOGXRCSA-N 1 0 327.388 2.704 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610550191 480334805 /nfs/dbraw/zinc/33/48/05/480334805.db2.gz HNCDPSCKUPFYFT-LBPRGKRZSA-N 1 0 345.346 2.719 20 5 EFBDRO COc1cc(C[NH2+]CC2(CO)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000610583451 480344428 /nfs/dbraw/zinc/34/44/28/480344428.db2.gz MDXWTCBCQCGFRG-UHFFFAOYSA-N 1 0 338.404 2.644 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617746235 480351027 /nfs/dbraw/zinc/35/10/27/480351027.db2.gz HNQHICHMWJDSQJ-LXZKKBNFSA-N 1 0 331.416 2.784 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000617758129 480354313 /nfs/dbraw/zinc/35/43/13/480354313.db2.gz IKHNDMHRBOUQBI-ZDUSSCGKSA-N 1 0 337.423 2.751 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000610664896 480359204 /nfs/dbraw/zinc/35/92/04/480359204.db2.gz NJMRCIJIZBXXBY-UHFFFAOYSA-N 1 0 343.431 2.539 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000610677556 480362811 /nfs/dbraw/zinc/36/28/11/480362811.db2.gz HCSLNGNLQWWSJA-INIZCTEOSA-N 1 0 332.448 2.508 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000610715918 480373403 /nfs/dbraw/zinc/37/34/03/480373403.db2.gz COWAFKJXFBRMED-AWEZNQCLSA-N 1 0 346.431 2.773 20 5 EFBDRO COc1cc(CN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000187005497 533780669 /nfs/dbraw/zinc/78/06/69/533780669.db2.gz FKRNUHSSXPSEBS-UHFFFAOYSA-N 1 0 325.384 2.659 20 5 EFBDRO Cc1c(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000162236798 533830486 /nfs/dbraw/zinc/83/04/86/533830486.db2.gz ICSIQSDWARIHRQ-UHFFFAOYSA-N 1 0 333.432 2.825 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191362120 534321082 /nfs/dbraw/zinc/32/10/82/534321082.db2.gz SYNGVECGHLHCDR-SJLPKXTDSA-N 1 0 341.411 2.758 20 5 EFBDRO O=C(NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192629257 534358421 /nfs/dbraw/zinc/35/84/21/534358421.db2.gz GLDUPYUSJGDHQO-HNNXBMFYSA-N 1 0 329.356 2.585 20 5 EFBDRO CC(C)(C)C(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174351438 518560342 /nfs/dbraw/zinc/56/03/42/518560342.db2.gz BEWRSCWTRZEDSS-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)C(=O)NCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090880803 519485624 /nfs/dbraw/zinc/48/56/24/519485624.db2.gz MNOMZZCYDDEGOI-MRXNPFEDSA-N 1 0 333.432 2.668 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000089203640 519668930 /nfs/dbraw/zinc/66/89/30/519668930.db2.gz BXGILMZUNLGYBG-UHFFFAOYSA-N 1 0 331.376 2.530 20 5 EFBDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342304 519679313 /nfs/dbraw/zinc/67/93/13/519679313.db2.gz YYIZYHLQDIXQHH-UHFFFAOYSA-N 1 0 326.784 2.806 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000119547201 519722030 /nfs/dbraw/zinc/72/20/30/519722030.db2.gz CEJHHJPGNKOSSF-OAHLLOKOSA-N 1 0 337.395 2.513 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117745237 519844827 /nfs/dbraw/zinc/84/48/27/519844827.db2.gz XVELTZXLCOGULK-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CCC[NH2+]CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000154160287 519917435 /nfs/dbraw/zinc/91/74/35/519917435.db2.gz SNATXYQMTAXLSK-UHFFFAOYSA-N 1 0 348.447 2.561 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245457182 520245796 /nfs/dbraw/zinc/24/57/96/520245796.db2.gz UFOQQZYEQWCRBJ-CABCVRRESA-N 1 0 348.447 2.504 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155672425 520915853 /nfs/dbraw/zinc/91/58/53/520915853.db2.gz SQGFABWCNPDEJA-CQSZACIVSA-N 1 0 335.404 2.631 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154508694 521428533 /nfs/dbraw/zinc/42/85/33/521428533.db2.gz IVXUDANTKZHYSE-SNVBAGLBSA-N 1 0 343.811 2.649 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120945741 522047446 /nfs/dbraw/zinc/04/74/46/522047446.db2.gz VAIYJCPIYRBMIQ-UONOGXRCSA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000261849414 522326226 /nfs/dbraw/zinc/32/62/26/522326226.db2.gz SSJHRVPPQRGEIM-ZETCQYMHSA-N 1 0 341.165 2.558 20 5 EFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000135592351 522923044 /nfs/dbraw/zinc/92/30/44/522923044.db2.gz YGZTVKDPGVGCLB-AWEZNQCLSA-N 1 0 330.388 2.717 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119407884 523023212 /nfs/dbraw/zinc/02/32/12/523023212.db2.gz SBFOOWGZTDGKMO-INIZCTEOSA-N 1 0 348.447 2.701 20 5 EFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120515246 523043097 /nfs/dbraw/zinc/04/30/97/523043097.db2.gz CFZFTMOXEPFPJM-BBRMVZONSA-N 1 0 340.445 2.927 20 5 EFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120515389 523221866 /nfs/dbraw/zinc/22/18/66/523221866.db2.gz CFZFTMOXEPFPJM-CZUORRHYSA-N 1 0 340.445 2.927 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131504967 534709946 /nfs/dbraw/zinc/70/99/46/534709946.db2.gz XJILKVYDKQYIKE-AWEZNQCLSA-N 1 0 335.379 2.824 20 5 EFBDRO CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179098904 523936620 /nfs/dbraw/zinc/93/66/20/523936620.db2.gz AMDOGJRYGBUELO-OAHLLOKOSA-N 1 0 340.383 2.772 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000157018940 523972337 /nfs/dbraw/zinc/97/23/37/523972337.db2.gz MSQCVSNMKSLRIV-FKDHNMLASA-N 1 0 329.400 2.551 20 5 EFBDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261768649 524034924 /nfs/dbraw/zinc/03/49/24/524034924.db2.gz OPJGMVLPZKEGDJ-KRWDZBQOSA-N 1 0 345.374 2.889 20 5 EFBDRO C[NH+](C)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000087356522 524058602 /nfs/dbraw/zinc/05/86/02/524058602.db2.gz GYGJLETUTIDAQO-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000154624346 524058851 /nfs/dbraw/zinc/05/88/51/524058851.db2.gz OGNMLEAPIHFMFJ-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068203627 524102282 /nfs/dbraw/zinc/10/22/82/524102282.db2.gz NOOVKWFUJANIMA-OAHLLOKOSA-N 1 0 348.447 2.778 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000081289682 524154008 /nfs/dbraw/zinc/15/40/08/524154008.db2.gz BETAVNRLOYXMEK-INIZCTEOSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000153353062 524184888 /nfs/dbraw/zinc/18/48/88/524184888.db2.gz SYUVZZXFVNNRNE-RHSMWYFYSA-N 1 0 343.427 2.992 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245850174 524480549 /nfs/dbraw/zinc/48/05/49/524480549.db2.gz CRYGVYQFUDZROV-QWHCGFSZSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153920786 524578261 /nfs/dbraw/zinc/57/82/61/524578261.db2.gz PXVOORNDVKHZQC-IAGOWNOFSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000119279193 524678815 /nfs/dbraw/zinc/67/88/15/524678815.db2.gz IFRSTZDLFRWGBA-GJZGRUSLSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000157893841 524859961 /nfs/dbraw/zinc/85/99/61/524859961.db2.gz UXTIKDYLEBQCBV-JQWIXIFHSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000245586115 524962472 /nfs/dbraw/zinc/96/24/72/524962472.db2.gz MJSQNKNSHXRRLP-CRAIPNDOSA-N 1 0 341.411 2.882 20 5 EFBDRO C[S@](=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183131010 525389724 /nfs/dbraw/zinc/38/97/24/525389724.db2.gz HNJSKUFDXQXAKN-XDHUDOTRSA-N 1 0 348.424 2.683 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000075942996 525467011 /nfs/dbraw/zinc/46/70/11/525467011.db2.gz ODSOLQKEGMRSHN-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120077714 525728896 /nfs/dbraw/zinc/72/88/96/525728896.db2.gz LNGGTLOGANQLHV-QAPCUYQASA-N 1 0 335.448 2.911 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOC3)s2)cc1 ZINC000184194851 534881483 /nfs/dbraw/zinc/88/14/83/534881483.db2.gz RTLVNCCGOKWYEJ-INIZCTEOSA-N 1 0 334.397 2.564 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000262121050 525829816 /nfs/dbraw/zinc/82/98/16/525829816.db2.gz WGRABQLOLCRIDH-INIZCTEOSA-N 1 0 346.412 2.529 20 5 EFBDRO Cc1ccsc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078991271 525838298 /nfs/dbraw/zinc/83/82/98/525838298.db2.gz GBMXGHQGKSWMRI-AWEZNQCLSA-N 1 0 336.413 2.836 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263041215 525863703 /nfs/dbraw/zinc/86/37/03/525863703.db2.gz SVNMFBMFECNRGF-IUODEOHRSA-N 1 0 325.796 2.772 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000120093397 525897198 /nfs/dbraw/zinc/89/71/98/525897198.db2.gz VMNJUYXYMSEBFY-QAPCUYQASA-N 1 0 335.448 2.911 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176746831 525897663 /nfs/dbraw/zinc/89/76/63/525897663.db2.gz XUGKALQVFKTYCR-GOEBONIOSA-N 1 0 346.431 2.844 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000185025140 525973479 /nfs/dbraw/zinc/97/34/79/525973479.db2.gz GOIRZPLRVAKOSR-AHIWAGSCSA-N 1 0 349.406 2.780 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000343563953 534909026 /nfs/dbraw/zinc/90/90/26/534909026.db2.gz ZSLDVSLAVPZCCC-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000177057083 526161807 /nfs/dbraw/zinc/16/18/07/526161807.db2.gz VTCJWCRZZHLZAE-UHFFFAOYSA-N 1 0 345.374 2.904 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000343638840 534910461 /nfs/dbraw/zinc/91/04/61/534910461.db2.gz ZZQLCTZYAXWIAI-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153597512 526259339 /nfs/dbraw/zinc/25/93/39/526259339.db2.gz KVLAWUHDLSQTNQ-CRAIPNDOSA-N 1 0 343.427 2.992 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261698635 526681120 /nfs/dbraw/zinc/68/11/20/526681120.db2.gz JRDACDARYGTIEB-AWEZNQCLSA-N 1 0 337.807 2.852 20 5 EFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412099160 536468244 /nfs/dbraw/zinc/46/82/44/536468244.db2.gz ZSEZCLYWWQJWFE-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO O=C1NCCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245517545 527061252 /nfs/dbraw/zinc/06/12/52/527061252.db2.gz AFMPDOXRPCBIIA-KBMXLJTQSA-N 1 0 331.416 2.564 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154640492 527246861 /nfs/dbraw/zinc/24/68/61/527246861.db2.gz ILTFPUGGHVVYQL-UHFFFAOYSA-N 1 0 349.406 2.611 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000154807310 527247284 /nfs/dbraw/zinc/24/72/84/527247284.db2.gz OENSUZQQJVVXMC-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000157960195 527248047 /nfs/dbraw/zinc/24/80/47/527248047.db2.gz OPZGUPKSZIACFH-OAHLLOKOSA-N 1 0 349.406 2.657 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177438768 527270374 /nfs/dbraw/zinc/27/03/74/527270374.db2.gz HGVLAUSCPPGZGZ-UHFFFAOYSA-N 1 0 331.416 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000195521097 527346783 /nfs/dbraw/zinc/34/67/83/527346783.db2.gz VCGXHRRIEIGDIY-HNNXBMFYSA-N 1 0 341.415 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000065208284 527372586 /nfs/dbraw/zinc/37/25/86/527372586.db2.gz GUXSXJJXEKBQCQ-UHFFFAOYSA-N 1 0 343.383 2.501 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000136981634 527394448 /nfs/dbraw/zinc/39/44/48/527394448.db2.gz CZJIFXBWYHNZSA-IBGZPJMESA-N 1 0 341.411 2.841 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000195508644 527409677 /nfs/dbraw/zinc/40/96/77/527409677.db2.gz UPYLVTUPOWSECN-UHFFFAOYSA-N 1 0 328.463 2.825 20 5 EFBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000185183473 527724629 /nfs/dbraw/zinc/72/46/29/527724629.db2.gz TTZAVGHWUWIYIT-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000174122752 528287706 /nfs/dbraw/zinc/28/77/06/528287706.db2.gz SOELVBMHVPSQEW-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000162047464 529042114 /nfs/dbraw/zinc/04/21/14/529042114.db2.gz FATGZAPOXQFTCW-MRXNPFEDSA-N 1 0 336.436 2.619 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000412153711 534946011 /nfs/dbraw/zinc/94/60/11/534946011.db2.gz HVIYYVWPPMZOGN-CABCVRRESA-N 1 0 347.415 2.691 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000412319069 534946150 /nfs/dbraw/zinc/94/61/50/534946150.db2.gz HOQJGWNFGIJRMW-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421679631 534946419 /nfs/dbraw/zinc/94/64/19/534946419.db2.gz MLWPAFIIJNNFOR-UHFFFAOYSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412134058 534951684 /nfs/dbraw/zinc/95/16/84/534951684.db2.gz LGWUKKMTNYQVDO-OCCSQVGLSA-N 1 0 335.404 2.595 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421887322 534979750 /nfs/dbraw/zinc/97/97/50/534979750.db2.gz SQLKZGLTLNUZAE-DYVFJYSZSA-N 1 0 331.416 2.820 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342089595 535021313 /nfs/dbraw/zinc/02/13/13/535021313.db2.gz RYEKRBCRAWYMAN-IAOVAPTHSA-N 1 0 333.432 2.941 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000344169985 535081927 /nfs/dbraw/zinc/08/19/27/535081927.db2.gz XUXRTPOTLUNAJX-LLVKDONJSA-N 1 0 349.387 2.630 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236797571 535093669 /nfs/dbraw/zinc/09/36/69/535093669.db2.gz IKIDFELWWXXDJO-MRXNPFEDSA-N 1 0 331.416 2.722 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418345376 535093871 /nfs/dbraw/zinc/09/38/71/535093871.db2.gz PDTHTDHOLLBLGH-GDBMZVCRSA-N 1 0 348.447 2.903 20 5 EFBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCOCC1 ZINC000356473780 535110371 /nfs/dbraw/zinc/11/03/71/535110371.db2.gz NNKLAVRLXHVYRO-MRXNPFEDSA-N 1 0 336.436 2.847 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412184238 535130725 /nfs/dbraw/zinc/13/07/25/535130725.db2.gz NRJJDJBSUDJPDH-JCGIZDLHSA-N 1 0 345.443 2.792 20 5 EFBDRO CC(C)(NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418337767 535225528 /nfs/dbraw/zinc/22/55/28/535225528.db2.gz BVYWZETXRIIWQO-ZDUSSCGKSA-N 1 0 334.420 2.519 20 5 EFBDRO CC(C)(NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418774051 535225837 /nfs/dbraw/zinc/22/58/37/535225837.db2.gz REKULRNRZRIIDA-AWEZNQCLSA-N 1 0 334.420 2.661 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000418778986 535227307 /nfs/dbraw/zinc/22/73/07/535227307.db2.gz ARWWEZVPOZNRHO-MELADBBJSA-N 1 0 346.431 2.517 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000358312500 535303151 /nfs/dbraw/zinc/30/31/51/535303151.db2.gz SZNYMGASJGZQTP-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236822441 535307107 /nfs/dbraw/zinc/30/71/07/535307107.db2.gz ISEQSJXRWHRHBD-IAQYHMDHSA-N 1 0 325.434 2.565 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)c1 ZINC000344426511 535427048 /nfs/dbraw/zinc/42/70/48/535427048.db2.gz IWPIJIPJEJHOAY-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347233801 535449270 /nfs/dbraw/zinc/44/92/70/535449270.db2.gz NTIRYXCMDOYEMW-UHFFFAOYSA-N 1 0 338.383 2.977 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000344665263 535455900 /nfs/dbraw/zinc/45/59/00/535455900.db2.gz CUBDINNFWKZJEN-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO CCOc1cccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346281496 535469322 /nfs/dbraw/zinc/46/93/22/535469322.db2.gz VFZZPTQBYHLXLD-OKILXGFUSA-N 1 0 337.420 2.905 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000342818231 535549623 /nfs/dbraw/zinc/54/96/23/535549623.db2.gz VAVYZEKEQRQDNU-MRXNPFEDSA-N 1 0 349.431 2.735 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000342818230 535551203 /nfs/dbraw/zinc/55/12/03/535551203.db2.gz VAVYZEKEQRQDNU-INIZCTEOSA-N 1 0 349.431 2.735 20 5 EFBDRO CCN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000236875785 535737016 /nfs/dbraw/zinc/73/70/16/535737016.db2.gz QIZLYIZNDGMQDW-UHFFFAOYSA-N 1 0 343.431 2.569 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346403652 535775896 /nfs/dbraw/zinc/77/58/96/535775896.db2.gz BJAIJHMNAGHAEW-VXGBXAGGSA-N 1 0 336.392 2.550 20 5 EFBDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000342288335 535802996 /nfs/dbraw/zinc/80/29/96/535802996.db2.gz OYDMYEXUXQKQLG-OAHLLOKOSA-N 1 0 340.445 2.850 20 5 EFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000347805791 535819609 /nfs/dbraw/zinc/81/96/09/535819609.db2.gz CNJPDFPUBIMCTR-CYBMUJFWSA-N 1 0 336.436 2.564 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343391420 535898648 /nfs/dbraw/zinc/89/86/48/535898648.db2.gz UZOWIMNZWCJAMV-AWEZNQCLSA-N 1 0 335.404 2.718 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000337270279 535910509 /nfs/dbraw/zinc/91/05/09/535910509.db2.gz ZPQYXMFJMLVDPE-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000266086414 535996490 /nfs/dbraw/zinc/99/64/90/535996490.db2.gz XMXLDEWXPSTGDE-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO CCn1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1=O ZINC000433065255 536097993 /nfs/dbraw/zinc/09/79/93/536097993.db2.gz DJVPHLUAVYIFGP-QGZVFWFLSA-N 1 0 341.411 2.887 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425392323 536138088 /nfs/dbraw/zinc/13/80/88/536138088.db2.gz GDHHWYQIPNRXIF-ZDUSSCGKSA-N 1 0 342.237 2.883 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000192599411 536144244 /nfs/dbraw/zinc/14/42/44/536144244.db2.gz ZQXHLVUDSGMEDF-UHFFFAOYSA-N 1 0 335.452 2.820 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403900 536371323 /nfs/dbraw/zinc/37/13/23/536371323.db2.gz KQBJEHKSNASXSK-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000343061238 536376288 /nfs/dbraw/zinc/37/62/88/536376288.db2.gz CBVXYLFVSGALMH-GDBMZVCRSA-N 1 0 345.443 2.815 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266356704 536449771 /nfs/dbraw/zinc/44/97/71/536449771.db2.gz DFGJZSSYJHFUKN-OAHLLOKOSA-N 1 0 342.399 2.517 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342561621 536495838 /nfs/dbraw/zinc/49/58/38/536495838.db2.gz BZCMZAJSCQPYKI-GJZGRUSLSA-N 1 0 349.431 2.979 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342561620 536496288 /nfs/dbraw/zinc/49/62/88/536496288.db2.gz BZCMZAJSCQPYKI-CABCVRRESA-N 1 0 349.431 2.979 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419371443 536760552 /nfs/dbraw/zinc/76/05/52/536760552.db2.gz KTDKPBCDHRLTIB-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343954722 536800664 /nfs/dbraw/zinc/80/06/64/536800664.db2.gz MOGNSLYKKBOBSW-YPMHNXCESA-N 1 0 333.388 2.662 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344217644 536804448 /nfs/dbraw/zinc/80/44/48/536804448.db2.gz JXGINTNEXWROLA-JTQLQIEISA-N 1 0 340.376 2.519 20 5 EFBDRO COc1cc(CN[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414944700 536805536 /nfs/dbraw/zinc/80/55/36/536805536.db2.gz ONPCDLYGGZWFSK-ZDUSSCGKSA-N 1 0 345.399 2.619 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411964055 536834179 /nfs/dbraw/zinc/83/41/79/536834179.db2.gz CWVIFVLJMIHNDD-SJKOYZFVSA-N 1 0 335.404 2.717 20 5 EFBDRO COc1c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000356813587 536847841 /nfs/dbraw/zinc/84/78/41/536847841.db2.gz GRHVFEHMFSNTFT-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000341203252 536898607 /nfs/dbraw/zinc/89/86/07/536898607.db2.gz CBJPBHAFMAJVGR-BBRMVZONSA-N 1 0 346.383 2.694 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000675057077 548198942 /nfs/dbraw/zinc/19/89/42/548198942.db2.gz VGMONEAYUOXPDW-ZDUSSCGKSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)S1 ZINC000753917422 575359143 /nfs/dbraw/zinc/35/91/43/575359143.db2.gz PNHFGFQORDQNFY-PHIMTYICSA-N 1 0 341.408 2.888 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOc2ccc(F)cc2)cc1 ZINC000754250471 575410726 /nfs/dbraw/zinc/41/07/26/575410726.db2.gz HWBPUUZUCBQHBP-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397880 575431808 /nfs/dbraw/zinc/43/18/08/575431808.db2.gz XTNZWJUPWNNVRF-FZMZJTMJSA-N 1 0 349.412 2.697 20 5 EFBDRO COC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000754539788 575449122 /nfs/dbraw/zinc/44/91/22/575449122.db2.gz MINJHYUFSDTZKN-HNNXBMFYSA-N 1 0 336.388 2.813 20 5 EFBDRO COCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000754547521 575450420 /nfs/dbraw/zinc/45/04/20/575450420.db2.gz WGPFKAHBNULHCG-CVEARBPZSA-N 1 0 334.372 2.897 20 5 EFBDRO CC[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])CCC(F)(F)F ZINC000755043214 575533756 /nfs/dbraw/zinc/53/37/56/575533756.db2.gz WIIUVBOTXMYBQH-UHFFFAOYSA-N 1 0 345.325 2.929 20 5 EFBDRO Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000756129823 575690201 /nfs/dbraw/zinc/69/02/01/575690201.db2.gz FHELDWCIMCPVDX-SNVBAGLBSA-N 1 0 334.763 2.611 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756951641 575804528 /nfs/dbraw/zinc/80/45/28/575804528.db2.gz VHFXDNZTMKODKG-UHFFFAOYSA-N 1 0 342.827 2.779 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756998573 575809331 /nfs/dbraw/zinc/80/93/31/575809331.db2.gz MTUXJXABNBBKHH-GHMZBOCLSA-N 1 0 325.796 2.737 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757111092 575824203 /nfs/dbraw/zinc/82/42/03/575824203.db2.gz UHUIKTDUVHNKOU-UHFFFAOYSA-N 1 0 340.811 2.533 20 5 EFBDRO COC(C)(C)CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000758813916 575877830 /nfs/dbraw/zinc/87/78/30/575877830.db2.gz BOMGZPJMXDTDSW-UHFFFAOYSA-N 1 0 329.784 2.544 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000759081185 575884173 /nfs/dbraw/zinc/88/41/73/575884173.db2.gz YLEFEEFNRDHFIU-UHFFFAOYSA-N 1 0 342.399 2.511 20 5 EFBDRO C[NH+]1CCC(CNC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000760466594 576027998 /nfs/dbraw/zinc/02/79/98/576027998.db2.gz RIODADADSUAYIU-UHFFFAOYSA-N 1 0 342.852 2.876 20 5 EFBDRO Nc1ccc(-c2noc(CCCC[NH+]3CCCC3)n2)cc1[N+](=O)[O-] ZINC000761244507 576135107 /nfs/dbraw/zinc/13/51/07/576135107.db2.gz MKRWUMJUDDVYBY-UHFFFAOYSA-N 1 0 331.376 2.646 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292734 576141544 /nfs/dbraw/zinc/14/15/44/576141544.db2.gz MSMDFTPGDZPANW-HNNXBMFYSA-N 1 0 344.415 2.959 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293920 576141592 /nfs/dbraw/zinc/14/15/92/576141592.db2.gz TUMPEEUDBRBMGT-KGLIPLIRSA-N 1 0 330.388 2.569 20 5 EFBDRO O=[N+]([O-])c1ccccc1Cc1noc(CCCC[NH+]2CCCC2)n1 ZINC000761343512 576148853 /nfs/dbraw/zinc/14/88/53/576148853.db2.gz HDDRMXXGRYMBSC-UHFFFAOYSA-N 1 0 330.388 2.987 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000763492642 576379199 /nfs/dbraw/zinc/37/91/99/576379199.db2.gz OKYXSWDNNPQAPN-IAGOWNOFSA-N 1 0 333.432 2.636 20 5 EFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000763629765 576383335 /nfs/dbraw/zinc/38/33/35/576383335.db2.gz SJCWQHBBSLJMOP-WMLDXEAASA-N 1 0 342.395 2.954 20 5 EFBDRO C[C@@H]1C[N@H+](CCCNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763658132 576385135 /nfs/dbraw/zinc/38/51/35/576385135.db2.gz CJUUWYJCYLNTJL-CYBMUJFWSA-N 1 0 341.839 2.839 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000766143083 577113759 /nfs/dbraw/zinc/11/37/59/577113759.db2.gz QRMHWQNJJRGSEU-KRWDZBQOSA-N 1 0 345.399 2.788 20 5 EFBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C ZINC000766165426 577115308 /nfs/dbraw/zinc/11/53/08/577115308.db2.gz IXDOQWIBRLKNPQ-GOEBONIOSA-N 1 0 332.448 2.636 20 5 EFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000766427526 577148474 /nfs/dbraw/zinc/14/84/74/577148474.db2.gz FLWNBUJYSVUNEB-AWEZNQCLSA-N 1 0 325.384 2.671 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCNc1ncccn1)C1CC1 ZINC000766515752 577160482 /nfs/dbraw/zinc/16/04/82/577160482.db2.gz FZOXWDSLZYVGKC-MRXNPFEDSA-N 1 0 341.415 2.798 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000766536015 577163571 /nfs/dbraw/zinc/16/35/71/577163571.db2.gz OMLCAQIMBWIXCV-SJORKVTESA-N 1 0 333.432 2.967 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946881 577189354 /nfs/dbraw/zinc/18/93/54/577189354.db2.gz PQWDHPHWZJNKBU-QIIPPGSGSA-N 1 0 344.415 2.977 20 5 EFBDRO C[N@H+](CCOC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccc(F)cc1 ZINC000769114449 577335841 /nfs/dbraw/zinc/33/58/41/577335841.db2.gz NFCXQMDQCSBONJ-UHFFFAOYSA-N 1 0 347.346 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)c3ccco3)CC2)cc1 ZINC000769409632 577360488 /nfs/dbraw/zinc/36/04/88/577360488.db2.gz ACTPAMPTIFWSCD-QGZVFWFLSA-N 1 0 345.399 2.870 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000726607605 577375441 /nfs/dbraw/zinc/37/54/41/577375441.db2.gz UXDAYABDROZCNO-AWEZNQCLSA-N 1 0 345.399 2.665 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769688841 577378626 /nfs/dbraw/zinc/37/86/26/577378626.db2.gz KELRERZDYPIRBI-CHWSQXEVSA-N 1 0 348.447 2.663 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770011017 577397692 /nfs/dbraw/zinc/39/76/92/577397692.db2.gz YKACBMLXKZSELC-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000770018375 577397994 /nfs/dbraw/zinc/39/79/94/577397994.db2.gz YIQIIHJAVARRLI-GFCCVEGCSA-N 1 0 336.779 2.726 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770099896 577402118 /nfs/dbraw/zinc/40/21/18/577402118.db2.gz LLVSWYFAYAQYGL-WCQYABFASA-N 1 0 325.796 2.832 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000771568314 581223232 /nfs/dbraw/zinc/22/32/32/581223232.db2.gz SQCAFIZTVFURMW-JKSUJKDBSA-N 1 0 336.775 2.605 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccccn21 ZINC000772905018 581379912 /nfs/dbraw/zinc/37/99/12/581379912.db2.gz STEPGHWHOFULKX-ZFWWWQNUSA-N 1 0 341.415 2.696 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000773043316 581390361 /nfs/dbraw/zinc/39/03/61/581390361.db2.gz YTRZIFOTWPBASQ-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc(F)n1 ZINC000773095193 581396122 /nfs/dbraw/zinc/39/61/22/581396122.db2.gz KXMPJZASECDYAN-LLVKDONJSA-N 1 0 332.335 2.636 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000773259822 581411090 /nfs/dbraw/zinc/41/10/90/581411090.db2.gz XOVRGWYVOCIIII-CYBMUJFWSA-N 1 0 335.433 2.884 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccccc2)n1 ZINC000774120939 581484476 /nfs/dbraw/zinc/48/44/76/581484476.db2.gz WCYDKBQLYGPAPW-BZUAXINKSA-N 1 0 330.388 2.598 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2ccccc2F)n1 ZINC000774136112 581485088 /nfs/dbraw/zinc/48/50/88/581485088.db2.gz XMYUJJVELUDKJU-XHSDSOJGSA-N 1 0 348.378 2.737 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774167439 581486294 /nfs/dbraw/zinc/48/62/94/581486294.db2.gz CZZSTJGTEVFNBY-CZUORRHYSA-N 1 0 333.388 2.793 20 5 EFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000774194822 581486895 /nfs/dbraw/zinc/48/68/95/581486895.db2.gz ZJZOBLOAMOYACD-RYRKJORJSA-N 1 0 344.415 2.772 20 5 EFBDRO Cc1ncc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000774266939 581488434 /nfs/dbraw/zinc/48/84/34/581488434.db2.gz SRNQBNKTVBYAFU-ZIAGYGMSSA-N 1 0 335.433 2.872 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774490506 581492632 /nfs/dbraw/zinc/49/26/32/581492632.db2.gz YNKSYFSOTLKDKQ-ULQDDVLXSA-N 1 0 344.415 2.907 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774492928 581492732 /nfs/dbraw/zinc/49/27/32/581492732.db2.gz YNKSYFSOTLKDKQ-YESZJQIVSA-N 1 0 344.415 2.907 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000774517794 581493036 /nfs/dbraw/zinc/49/30/36/581493036.db2.gz QKGZJGFCFVGLCY-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO C[N@H+](C[C@@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774627687 581495645 /nfs/dbraw/zinc/49/56/45/581495645.db2.gz RLDKOAZVMFVECO-NSHDSACASA-N 1 0 338.795 2.914 20 5 EFBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774635440 581495913 /nfs/dbraw/zinc/49/59/13/581495913.db2.gz IIEFGEHFHYIVOQ-NSHDSACASA-N 1 0 338.795 2.914 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[NH+](CC4CC4)CC3)c2c(Cl)c1 ZINC000774636449 581495988 /nfs/dbraw/zinc/49/59/88/581495988.db2.gz USJINEXMZSYVDV-UHFFFAOYSA-N 1 0 349.822 2.583 20 5 EFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCSC1 ZINC000774640880 581496090 /nfs/dbraw/zinc/49/60/90/581496090.db2.gz WHLVIKWAOBPJBN-JTQLQIEISA-N 1 0 326.809 2.993 20 5 EFBDRO C[N@H+](CC1CCOCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639993 581496103 /nfs/dbraw/zinc/49/61/03/581496103.db2.gz OFYGDGUUZHJUBO-UHFFFAOYSA-N 1 0 338.795 2.914 20 5 EFBDRO C[NH+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000308629854 1251282871 /nfs/dbraw/zinc/28/28/71/1251282871.db2.gz BABDCJFITIVRNV-UHFFFAOYSA-N 1 0 330.226 2.787 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000823759631 1265424060 /nfs/dbraw/zinc/42/40/60/1265424060.db2.gz ZFONETJNSFEABE-UHFFFAOYSA-N 1 0 343.786 2.849 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(O)CCCOC1 ZINC000850400921 1250466712 /nfs/dbraw/zinc/46/67/12/1250466712.db2.gz QLTRDJPEZMZKOU-MRXNPFEDSA-N 1 0 342.823 2.906 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850720633 1250577789 /nfs/dbraw/zinc/57/77/89/1250577789.db2.gz GBNNNIAXHFISQO-ZGRWHYIRSA-N 1 0 343.427 2.846 20 5 EFBDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000706004739 1251259234 /nfs/dbraw/zinc/25/92/34/1251259234.db2.gz ZKKNUNQEZBXYRW-MEDUHNTESA-N 1 0 347.346 2.605 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107391471 1255724157 /nfs/dbraw/zinc/72/41/57/1255724157.db2.gz ILSDCMORDQUFSJ-BQYQJAHWSA-N 1 0 348.447 2.718 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(C2CC2)CC1 ZINC000996699692 1255771743 /nfs/dbraw/zinc/77/17/43/1255771743.db2.gz MZILHPDJLHSOJU-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO CC1(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000996877987 1256315891 /nfs/dbraw/zinc/31/58/91/1256315891.db2.gz IZDJWNWUFGNWMX-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO Cc1coc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000996895056 1256353598 /nfs/dbraw/zinc/35/35/98/1256353598.db2.gz JXMSQGGUHQRNPR-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2occc2c1 ZINC001127886325 1256944154 /nfs/dbraw/zinc/94/41/54/1256944154.db2.gz FUKJLKYGHSBKCX-UHFFFAOYSA-N 1 0 339.351 2.861 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2occc2c1 ZINC001127886780 1256948435 /nfs/dbraw/zinc/94/84/35/1256948435.db2.gz OROZGFLNRBTDQZ-UHFFFAOYSA-N 1 0 345.380 2.922 20 5 EFBDRO COC(=O)Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001168567212 1257714866 /nfs/dbraw/zinc/71/48/66/1257714866.db2.gz DVCBGAHMJCIJKD-UHFFFAOYSA-N 1 0 341.367 2.526 20 5 EFBDRO CC(C)CC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997488291 1257779589 /nfs/dbraw/zinc/77/95/89/1257779589.db2.gz XYXSYCQAVDWSLD-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000843041433 1258111932 /nfs/dbraw/zinc/11/19/32/1258111932.db2.gz BPSOOTXUISPZSZ-JGVFFNPUSA-N 1 0 345.197 2.605 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997662705 1258194376 /nfs/dbraw/zinc/19/43/76/1258194376.db2.gz HMCFQKVZFWGASG-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843057503 1258393004 /nfs/dbraw/zinc/39/30/04/1258393004.db2.gz IWASMQLFGYEHGU-UWVGGRQHSA-N 1 0 328.210 2.526 20 5 EFBDRO O=C(c1cc[nH]c1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997795794 1258426171 /nfs/dbraw/zinc/42/61/71/1258426171.db2.gz BSYNDMRZWLOPDE-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO CC1(C(=O)N2CCC(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000997800888 1258432295 /nfs/dbraw/zinc/43/22/95/1258432295.db2.gz RMIAFOLASCVWCS-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946425135 1258757751 /nfs/dbraw/zinc/75/77/51/1258757751.db2.gz WICWXFCECKJMNF-GASCZTMLSA-N 1 0 331.416 2.675 20 5 EFBDRO CC(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000998232740 1259278434 /nfs/dbraw/zinc/27/84/34/1259278434.db2.gz HGRVGIQIPFWKES-UHFFFAOYSA-N 1 0 333.432 2.969 20 5 EFBDRO CCCc1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001168635992 1261061819 /nfs/dbraw/zinc/06/18/19/1261061819.db2.gz WURCTQZBETUGSW-UHFFFAOYSA-N 1 0 327.388 2.636 20 5 EFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000450437939 1261209008 /nfs/dbraw/zinc/20/90/08/1261209008.db2.gz LOLDVYVCFAZKMV-UHFFFAOYSA-N 1 0 342.399 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnn(CC3CCC3)c2)cc1 ZINC000921721534 1261273077 /nfs/dbraw/zinc/27/30/77/1261273077.db2.gz JXFCQQXBSZPKRR-UHFFFAOYSA-N 1 0 330.388 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923358898 1261544834 /nfs/dbraw/zinc/54/48/34/1261544834.db2.gz MIWYOYXVZXWXHM-HZMBPMFUSA-N 1 0 340.221 2.541 20 5 EFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C[NH3+] ZINC000923376440 1261577173 /nfs/dbraw/zinc/57/71/73/1261577173.db2.gz XNMHLSSGXROIFU-JQWIXIFHSA-N 1 0 342.237 2.774 20 5 EFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923393117 1261599206 /nfs/dbraw/zinc/59/92/06/1261599206.db2.gz NZQSBGOUAOBACS-KOLCDFICSA-N 1 0 328.210 2.669 20 5 EFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923397737 1261605578 /nfs/dbraw/zinc/60/55/78/1261605578.db2.gz GFUYTENTTBRXIM-BXUZGUMPSA-N 1 0 340.221 2.671 20 5 EFBDRO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080309 1263343296 /nfs/dbraw/zinc/34/32/96/1263343296.db2.gz JOFWJBGCSKSHLK-RDTXWAMCSA-N 1 0 330.384 2.511 20 5 EFBDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000922709293 1266631365 /nfs/dbraw/zinc/63/13/65/1266631365.db2.gz QKFOFWIHZNIWIA-GFCCVEGCSA-N 1 0 347.337 2.720 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002720417 1263960229 /nfs/dbraw/zinc/96/02/29/1263960229.db2.gz RLIOBBAQWBBVEA-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000730735241 1264431007 /nfs/dbraw/zinc/43/10/07/1264431007.db2.gz OEMRWHZBSWYSDZ-OAHLLOKOSA-N 1 0 334.445 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000730735240 1264431027 /nfs/dbraw/zinc/43/10/27/1264431027.db2.gz OEMRWHZBSWYSDZ-HNNXBMFYSA-N 1 0 334.445 2.852 20 5 EFBDRO CC1(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001003442977 1264765555 /nfs/dbraw/zinc/76/55/55/1264765555.db2.gz FLMRVEGZANJJNK-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000733271977 1265139451 /nfs/dbraw/zinc/13/94/51/1265139451.db2.gz BKEYZWKCKTYPLB-JXMNSVBMSA-N 1 0 331.416 2.989 20 5 EFBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000922638876 1266496742 /nfs/dbraw/zinc/49/67/42/1266496742.db2.gz GXTQCJMXRUJFKS-INIZCTEOSA-N 1 0 343.383 2.955 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922794690 1266835200 /nfs/dbraw/zinc/83/52/00/1266835200.db2.gz WUYWZGAOQXSOHC-ZDUSSCGKSA-N 1 0 339.367 2.833 20 5 EFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000156519491 1267231598 /nfs/dbraw/zinc/23/15/98/1267231598.db2.gz IVGWARKCYGPTTP-ZDUSSCGKSA-N 1 0 325.796 2.548 20 5 EFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1cccc([N+](=O)[O-])c1 ZINC000736007135 1267476057 /nfs/dbraw/zinc/47/60/57/1267476057.db2.gz RAUCTOGKJQWGOB-UHFFFAOYSA-N 1 0 348.399 2.673 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737691177 1268173216 /nfs/dbraw/zinc/17/32/16/1268173216.db2.gz ICSJJRBKMUUCAG-CYBMUJFWSA-N 1 0 335.379 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000825143180 1278428659 /nfs/dbraw/zinc/42/86/59/1278428659.db2.gz BWKVFWTUSCOWPS-OAHLLOKOSA-N 1 0 333.432 2.970 20 5 EFBDRO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740860003 1269137757 /nfs/dbraw/zinc/13/77/57/1269137757.db2.gz OFIQRTUKVZYUHQ-FVQBIDKESA-N 1 0 336.436 2.891 20 5 EFBDRO CC(C)[C@@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000741014051 1269230614 /nfs/dbraw/zinc/23/06/14/1269230614.db2.gz ILNZIBIHLMPNHB-INIZCTEOSA-N 1 0 336.388 2.637 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000741017261 1269248993 /nfs/dbraw/zinc/24/89/93/1269248993.db2.gz MJVVJBUMDSTDSY-UPJWGTAASA-N 1 0 336.388 2.908 20 5 EFBDRO COc1ccc(COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000741019159 1269251915 /nfs/dbraw/zinc/25/19/15/1269251915.db2.gz TYNNLPDWVJEORZ-UPJWGTAASA-N 1 0 336.388 2.908 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086056723 1269709116 /nfs/dbraw/zinc/70/91/16/1269709116.db2.gz CPPIEPHKBFUYDR-BJHJDKERSA-N 1 0 348.428 2.591 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825408527 1278540478 /nfs/dbraw/zinc/54/04/78/1278540478.db2.gz BKWAVGHYSFBREK-QGTPRVQTSA-N 1 0 345.443 2.935 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001005383884 1270251160 /nfs/dbraw/zinc/25/11/60/1270251160.db2.gz XJSIYDWAUKQEQE-IAGOWNOFSA-N 1 0 349.475 2.545 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001086172865 1270344765 /nfs/dbraw/zinc/34/47/65/1270344765.db2.gz NSNFSWSJMUOIGZ-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000743024108 1270371305 /nfs/dbraw/zinc/37/13/05/1270371305.db2.gz KVXKPAXJUIZPMS-CYBMUJFWSA-N 1 0 336.461 2.955 20 5 EFBDRO CN(C(=O)C1(C)CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005433335 1270492767 /nfs/dbraw/zinc/49/27/67/1270492767.db2.gz WJCQHJZBFYJXTQ-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CC[C@]1(C)CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386153 1270559141 /nfs/dbraw/zinc/55/91/41/1270559141.db2.gz CSEWHUYHJWYMOS-QGZVFWFLSA-N 1 0 331.372 2.660 20 5 EFBDRO CC[C@@]1(C)CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743386151 1270559212 /nfs/dbraw/zinc/55/92/12/1270559212.db2.gz CSEWHUYHJWYMOS-KRWDZBQOSA-N 1 0 331.372 2.660 20 5 EFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ncnc(Cl)c3[N+](=O)[O-])c2C1 ZINC001171091328 1278568197 /nfs/dbraw/zinc/56/81/97/1278568197.db2.gz QDJJBXVFWRMSAK-VIFPVBQESA-N 1 0 343.774 2.798 20 5 EFBDRO CCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000701700120 1270593424 /nfs/dbraw/zinc/59/34/24/1270593424.db2.gz LAUZOORSTDCGLZ-NSHDSACASA-N 1 0 329.194 2.968 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000825503743 1278574616 /nfs/dbraw/zinc/57/46/16/1278574616.db2.gz GHDDLRLMEJCYGG-AWEZNQCLSA-N 1 0 325.796 2.627 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000743812872 1270764838 /nfs/dbraw/zinc/76/48/38/1270764838.db2.gz FUGXRVHNQYZHEL-JTQLQIEISA-N 1 0 326.784 2.854 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086271026 1270780637 /nfs/dbraw/zinc/78/06/37/1270780637.db2.gz FBWJFFRIROJUDW-GASCZTMLSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086271437 1270781966 /nfs/dbraw/zinc/78/19/66/1270781966.db2.gz ZNEWCBYZUJZDOD-OTVXOJSOSA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086308271 1270930036 /nfs/dbraw/zinc/93/00/36/1270930036.db2.gz OJKKWJYOFUPPRP-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC001086330864 1271010033 /nfs/dbraw/zinc/01/00/33/1271010033.db2.gz RUMHJHGUJPQUBJ-YEORSEQZSA-N 1 0 335.429 2.607 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=CCCC1 ZINC001086340574 1271065501 /nfs/dbraw/zinc/06/55/01/1271065501.db2.gz ACNAMQFYYRGXKG-KOMQPUFPSA-N 1 0 329.400 2.690 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001086347427 1271097252 /nfs/dbraw/zinc/09/72/52/1271097252.db2.gz FJDCTVJDLNVAKI-KOMQPUFPSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000843864966 1278618841 /nfs/dbraw/zinc/61/88/41/1278618841.db2.gz IGUWZLHPONZSOD-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001086453761 1271550209 /nfs/dbraw/zinc/55/02/09/1271550209.db2.gz BTWIOLPXYJKRPK-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746049361 1271742972 /nfs/dbraw/zinc/74/29/72/1271742972.db2.gz PXEQWERCUNYGLR-GFCCVEGCSA-N 1 0 331.347 2.815 20 5 EFBDRO [NH3+][C@H]1CCc2nn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])cc2C1 ZINC001168815860 1272421379 /nfs/dbraw/zinc/42/13/79/1272421379.db2.gz LBCYWOMDTCMVDX-JTQLQIEISA-N 1 0 326.278 2.615 20 5 EFBDRO O=C(CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168983405 1272553178 /nfs/dbraw/zinc/55/31/78/1272553178.db2.gz JWENACDFCSVXDS-IRXDYDNUSA-N 1 0 334.416 2.935 20 5 EFBDRO C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001168956370 1272555352 /nfs/dbraw/zinc/55/53/52/1272555352.db2.gz DSPJVWPQQBJCKY-ZIAGYGMSSA-N 1 0 341.477 2.609 20 5 EFBDRO C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001168956363 1272555758 /nfs/dbraw/zinc/55/57/58/1272555758.db2.gz DSPJVWPQQBJCKY-KBPBESRZSA-N 1 0 341.477 2.609 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC001168961539 1272556989 /nfs/dbraw/zinc/55/69/89/1272556989.db2.gz IUVPBBBQBIJODC-HONMWMINSA-N 1 0 343.221 2.518 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Br)cc3C2)C1 ZINC001168964423 1272557787 /nfs/dbraw/zinc/55/77/87/1272557787.db2.gz SGYKAQMCLXQWJA-VCTAVGKDSA-N 1 0 339.233 2.951 20 5 EFBDRO O=C1CCC2(CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1CC1CC1 ZINC001168965078 1272558101 /nfs/dbraw/zinc/55/81/01/1272558101.db2.gz XULRJXWUQUOGOV-WPZCVXBKSA-N 1 0 349.475 2.735 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001168965139 1272558175 /nfs/dbraw/zinc/55/81/75/1272558175.db2.gz YIKISMZSTKWYSW-DGCLKSJQSA-N 1 0 343.221 2.863 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964480 1272558216 /nfs/dbraw/zinc/55/82/16/1272558216.db2.gz TZBAIHYHPROLAG-ZQDZILKHSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168967024 1272559212 /nfs/dbraw/zinc/55/92/12/1272559212.db2.gz MTKBFFHMLFUWRW-VBQJREDUSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3F)CCOCC2)C1 ZINC001168966565 1272559358 /nfs/dbraw/zinc/55/93/58/1272559358.db2.gz JMWJDMYOXHGELG-GJZGRUSLSA-N 1 0 336.407 2.909 20 5 EFBDRO CCOC(=O)CCc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168991625 1272568759 /nfs/dbraw/zinc/56/87/59/1272568759.db2.gz IEMFPJIEYSTIKD-SJORKVTESA-N 1 0 334.416 2.717 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3cc(Br)ccc32)C1 ZINC001168991398 1272568994 /nfs/dbraw/zinc/56/89/94/1272568994.db2.gz GRBWBDFDSSRPEE-XWIASGKRSA-N 1 0 341.205 2.918 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2F)C1 ZINC001168992494 1272569568 /nfs/dbraw/zinc/56/95/68/1272569568.db2.gz KCOLSBGFNAPFPU-DZGCQCFKSA-N 1 0 332.379 2.606 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc(F)cc1 ZINC001168995166 1272571424 /nfs/dbraw/zinc/57/14/24/1272571424.db2.gz RWDJEGCKSFQTDG-RCBQFDQVSA-N 1 0 337.395 2.824 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc(F)cc1 ZINC001168995162 1272571833 /nfs/dbraw/zinc/57/18/33/1272571833.db2.gz RWDJEGCKSFQTDG-KCXAZCMYSA-N 1 0 337.395 2.824 20 5 EFBDRO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997082 1272573693 /nfs/dbraw/zinc/57/36/93/1272573693.db2.gz XMKHICKBVMYADI-STQMWFEESA-N 1 0 329.441 2.715 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCCC1 ZINC001168998391 1272575196 /nfs/dbraw/zinc/57/51/96/1272575196.db2.gz MHEOTWMAMJBZGL-DZUCGIPZSA-N 1 0 337.464 2.639 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccc(F)cc3)cn2)C1 ZINC001168997777 1272575512 /nfs/dbraw/zinc/57/55/12/1272575512.db2.gz FUVGERQWZVOUNJ-HOCLYGCPSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1cccc(CC2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001169000030 1272577597 /nfs/dbraw/zinc/57/75/97/1272577597.db2.gz WXPSMWOKBHCEMS-IRXDYDNUSA-N 1 0 348.443 2.822 20 5 EFBDRO O=C1CCCCN1c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169000210 1272577639 /nfs/dbraw/zinc/57/76/39/1272577639.db2.gz XBSWKMGXAHUFAK-CVEARBPZSA-N 1 0 331.416 2.739 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001169005318 1272578398 /nfs/dbraw/zinc/57/83/98/1272578398.db2.gz ALLCHVCWCNOYFF-KBPBESRZSA-N 1 0 326.437 2.924 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006661 1272580400 /nfs/dbraw/zinc/58/04/00/1272580400.db2.gz IWNRWTUVHKPIDC-BBWFWOEESA-N 1 0 332.400 2.640 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007251 1272580921 /nfs/dbraw/zinc/58/09/21/1272580921.db2.gz MCABJKKVZARYJR-ZQIUZPCESA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007245 1272581333 /nfs/dbraw/zinc/58/13/33/1272581333.db2.gz MCABJKKVZARYJR-CPUCHLNUSA-N 1 0 341.452 2.811 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010696 1272583257 /nfs/dbraw/zinc/58/32/57/1272583257.db2.gz FQIGSTQXFHQQHA-DLBZAZTESA-N 1 0 334.416 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011850 1272584727 /nfs/dbraw/zinc/58/47/27/1272584727.db2.gz MTVVVWVVGADXIA-ZQDZILKHSA-N 1 0 339.436 2.516 20 5 EFBDRO COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011828 1272584788 /nfs/dbraw/zinc/58/47/88/1272584788.db2.gz MPQYMDSCBNYWJM-IAGOWNOFSA-N 1 0 334.416 2.887 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169014019 1272585194 /nfs/dbraw/zinc/58/51/94/1272585194.db2.gz XYBOIXNFJIWCFU-KFWWJZLASA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012906 1272585589 /nfs/dbraw/zinc/58/55/89/1272585589.db2.gz SMQFMRJTCYXZEM-LJISPDSOSA-N 1 0 341.452 2.762 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011103 1272585873 /nfs/dbraw/zinc/58/58/73/1272585873.db2.gz IKOUXZVCGILBED-LJISPDSOSA-N 1 0 339.436 2.516 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001169014429 1272586827 /nfs/dbraw/zinc/58/68/27/1272586827.db2.gz ZPGBDCKNJUMEMF-LXTVHRRPSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168986712 1272586893 /nfs/dbraw/zinc/58/68/93/1272586893.db2.gz YQQIEZMAMVRJGW-RRFJBIMHSA-N 1 0 343.468 2.961 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169028419 1272592235 /nfs/dbraw/zinc/59/22/35/1272592235.db2.gz RYEJZPHRRUPMCI-ZBFHGGJFSA-N 1 0 337.851 2.903 20 5 EFBDRO Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001169029284 1272595123 /nfs/dbraw/zinc/59/51/23/1272595123.db2.gz XEBWUTYTCIYMPC-UHFFFAOYSA-N 1 0 339.355 2.522 20 5 EFBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1OC ZINC001169034247 1272596121 /nfs/dbraw/zinc/59/61/21/1272596121.db2.gz GHYJJYVZXZSRMR-TZMCWYRMSA-N 1 0 338.404 2.590 20 5 EFBDRO O=C1OC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169033204 1272596387 /nfs/dbraw/zinc/59/63/87/1272596387.db2.gz BJIBBMPOTVEGEG-KBPBESRZSA-N 1 0 330.384 2.594 20 5 EFBDRO CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169033678 1272597195 /nfs/dbraw/zinc/59/71/95/1272597195.db2.gz DIIGLKYMBZXLGG-WCQYABFASA-N 1 0 338.429 2.728 20 5 EFBDRO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001169035136 1272598617 /nfs/dbraw/zinc/59/86/17/1272598617.db2.gz AKSLWYWRZGGDBS-ZQDZILKHSA-N 1 0 341.452 2.762 20 5 EFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034949 1272599795 /nfs/dbraw/zinc/59/97/95/1272599795.db2.gz ITEBMNYOTUIHHO-ILXRZTDVSA-N 1 0 341.452 2.811 20 5 EFBDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035792 1272600997 /nfs/dbraw/zinc/60/09/97/1272600997.db2.gz CIKWJOZQNHAYKV-UAGQMJEPSA-N 1 0 336.432 2.978 20 5 EFBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169037542 1272602726 /nfs/dbraw/zinc/60/27/26/1272602726.db2.gz SEDOFOLAONWQEW-LXTVHRRPSA-N 1 0 341.452 2.762 20 5 EFBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169038969 1272604951 /nfs/dbraw/zinc/60/49/51/1272604951.db2.gz LZHOVKIWPRQNBM-ZNMIVQPWSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001169037689 1272606184 /nfs/dbraw/zinc/60/61/84/1272606184.db2.gz SVSWPCZYTRGKJB-MXWKQRLJSA-N 1 0 348.325 2.713 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169038363 1272606259 /nfs/dbraw/zinc/60/62/59/1272606259.db2.gz YIBQLMKMLPQPOV-KBPBESRZSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169038365 1272606723 /nfs/dbraw/zinc/60/67/23/1272606723.db2.gz YIBQLMKMLPQPOV-UONOGXRCSA-N 1 0 341.452 2.763 20 5 EFBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169038968 1272606760 /nfs/dbraw/zinc/60/67/60/1272606760.db2.gz LZHOVKIWPRQNBM-RRFJBIMHSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3nccc4ccccc43)CC2)C1 ZINC001169038000 1272606864 /nfs/dbraw/zinc/60/68/64/1272606864.db2.gz UZQNFJNFJIMXPR-DOTOQJQBSA-N 1 0 340.427 2.802 20 5 EFBDRO CC(C)(C)OC(=O)N1CC([N@H+](C2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039807 1272608360 /nfs/dbraw/zinc/60/83/60/1272608360.db2.gz UDCICEVSUDVTNS-TZMCWYRMSA-N 1 0 339.436 2.516 20 5 EFBDRO CC1(C)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]12c1ccccc1OC2=O ZINC001169041061 1272610271 /nfs/dbraw/zinc/61/02/71/1272610271.db2.gz ARZYAGFKCGMWCT-IQUTYRLHSA-N 1 0 344.411 2.773 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001169042509 1272612875 /nfs/dbraw/zinc/61/28/75/1272612875.db2.gz FFRYCTIVGDNROZ-RDGPPVDQSA-N 1 0 329.444 2.638 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CC[C@H](C[N+](=O)[O-])C2)o1 ZINC001169017650 1272616093 /nfs/dbraw/zinc/61/60/93/1272616093.db2.gz AYBNCONECCRKNL-UOVPBQLFSA-N 1 0 333.432 2.682 20 5 EFBDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1c1ccccc1 ZINC001169018854 1272618713 /nfs/dbraw/zinc/61/87/13/1272618713.db2.gz CROANHVQZGXBOB-DZOHQFGASA-N 1 0 343.427 2.702 20 5 EFBDRO Cc1ccc2nc(C3CC[NH+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)nn2c1 ZINC001169025368 1272621153 /nfs/dbraw/zinc/62/11/53/1272621153.db2.gz TZBSDAGDUSRTTP-ZBFHGGJFSA-N 1 0 343.431 2.663 20 5 EFBDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169026467 1272623777 /nfs/dbraw/zinc/62/37/77/1272623777.db2.gz XHAHCIDGSPTRQQ-QXDIGNSFSA-N 1 0 340.464 2.726 20 5 EFBDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026793 1272624217 /nfs/dbraw/zinc/62/42/17/1272624217.db2.gz ODDSULRPGDRSHZ-HRCADAONSA-N 1 0 334.416 2.984 20 5 EFBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCCCC1 ZINC001169046688 1272625954 /nfs/dbraw/zinc/62/59/54/1272625954.db2.gz LUTYLQZJHKSTLB-RHSMWYFYSA-N 1 0 337.464 2.593 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055330 1272632941 /nfs/dbraw/zinc/63/29/41/1272632941.db2.gz POXVFRYSEOITBZ-TUVASFSCSA-N 1 0 341.452 2.667 20 5 EFBDRO CC1(C)C[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169136751 1272696272 /nfs/dbraw/zinc/69/62/72/1272696272.db2.gz HNZMFOJNMMBBAM-XPTSAGLGSA-N 1 0 327.816 2.994 20 5 EFBDRO CC1(C)C[C@@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169139142 1272698065 /nfs/dbraw/zinc/69/80/65/1272698065.db2.gz YTRZEYQDVKNVBO-MEBBXXQBSA-N 1 0 342.827 2.837 20 5 EFBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C[C@@](C)(C[NH3+])C1 ZINC001169151949 1272712106 /nfs/dbraw/zinc/71/21/06/1272712106.db2.gz NQHJVJFBQJLXNY-MLGOLLRUSA-N 1 0 332.408 2.593 20 5 EFBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001169192894 1272731971 /nfs/dbraw/zinc/73/19/71/1272731971.db2.gz TZAHMUXGBMIWJL-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc([N+](=O)[O-])cn1 ZINC001169176291 1272740119 /nfs/dbraw/zinc/74/01/19/1272740119.db2.gz QUJUMAICVDNFHO-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO Cc1cc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001169235270 1272742704 /nfs/dbraw/zinc/74/27/04/1272742704.db2.gz UWNHKSMQVRCSGD-QMMMGPOBSA-N 1 0 325.166 2.871 20 5 EFBDRO C[C@H]([NH3+])c1ccn(-c2c(Br)cc(F)cc2[N+](=O)[O-])n1 ZINC001169231642 1272748153 /nfs/dbraw/zinc/74/81/53/1272748153.db2.gz OPIMIGONKPXFTG-LURJTMIESA-N 1 0 329.129 2.702 20 5 EFBDRO [NH3+]Cc1cnnn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001169309688 1272829232 /nfs/dbraw/zinc/82/92/32/1272829232.db2.gz JFLZETSBWFKYLX-UHFFFAOYSA-N 1 0 327.369 2.785 20 5 EFBDRO CCOC(=O)C1(Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC001169492264 1272982350 /nfs/dbraw/zinc/98/23/50/1272982350.db2.gz TWJYROGDOXGPLJ-UHFFFAOYSA-N 1 0 341.795 2.688 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001169683788 1273089361 /nfs/dbraw/zinc/08/93/61/1273089361.db2.gz OTIDDVNEMGGKQT-CQSZACIVSA-N 1 0 328.372 2.777 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001169683601 1273089485 /nfs/dbraw/zinc/08/94/85/1273089485.db2.gz AZCCWEHKTDLZCS-LBPRGKRZSA-N 1 0 332.335 2.607 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c[nH]cc1C1CC1 ZINC001169690311 1273093325 /nfs/dbraw/zinc/09/33/25/1273093325.db2.gz CPPHIVSXPCWGSV-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169708365 1273111075 /nfs/dbraw/zinc/11/10/75/1273111075.db2.gz IXTBHIMUFPBIPL-UHFFFAOYSA-N 1 0 326.356 2.834 20 5 EFBDRO O=C(C1CC1)N1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035150090 1273653374 /nfs/dbraw/zinc/65/33/74/1273653374.db2.gz ZXXNGWVYYMVZIC-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109489651 1274341561 /nfs/dbraw/zinc/34/15/61/1274341561.db2.gz JJDHDNRWYHABKP-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001109492849 1274348248 /nfs/dbraw/zinc/34/82/48/1274348248.db2.gz UFWBLFNHZLLXKC-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CC[N@H+](C)CCC(=O)N(C)CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001109520597 1274376795 /nfs/dbraw/zinc/37/67/95/1274376795.db2.gz JZNCIYXUYFDLQE-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001109524621 1274382467 /nfs/dbraw/zinc/38/24/67/1274382467.db2.gz GEURFYIQYKJCOS-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nnc2ccc(C[NH3+])cc21 ZINC001170023753 1274686922 /nfs/dbraw/zinc/68/69/22/1274686922.db2.gz DPOVYZLDCGCHAG-UHFFFAOYSA-N 1 0 347.762 2.758 20 5 EFBDRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000785985698 1275264943 /nfs/dbraw/zinc/26/49/43/1275264943.db2.gz QFGWBEUHDAKOJU-INIZCTEOSA-N 1 0 340.448 2.856 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786156050 1275314847 /nfs/dbraw/zinc/31/48/47/1275314847.db2.gz GHHYZCXPFIEQQZ-UHFFFAOYSA-N 1 0 335.404 2.637 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)CO1 ZINC000844389951 1278943287 /nfs/dbraw/zinc/94/32/87/1278943287.db2.gz BJSZAGDTLSICGG-DGCLKSJQSA-N 1 0 339.367 2.562 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000786832879 1275537245 /nfs/dbraw/zinc/53/72/45/1275537245.db2.gz SNJCZYJRKIRPIZ-NVXWUHKLSA-N 1 0 328.368 2.612 20 5 EFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000786822725 1275555030 /nfs/dbraw/zinc/55/50/30/1275555030.db2.gz DSEDZUYNJAACRI-UHFFFAOYSA-N 1 0 348.447 2.953 20 5 EFBDRO CCn1cc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000844417104 1278964660 /nfs/dbraw/zinc/96/46/60/1278964660.db2.gz JVCXUOLUMUITPU-QGZVFWFLSA-N 1 0 332.404 2.755 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000787161814 1275695590 /nfs/dbraw/zinc/69/55/90/1275695590.db2.gz FQEBSVYJKVJZPB-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170295194 1278978942 /nfs/dbraw/zinc/97/89/42/1278978942.db2.gz AVRKJDBQRWMYCV-ZUSMLRIVSA-N 1 0 342.395 2.782 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2nccnc2Cl)c([N+](=O)[O-])c1 ZINC001170298244 1278981326 /nfs/dbraw/zinc/98/13/26/1278981326.db2.gz HTRLQFNQGLFDQM-SNVBAGLBSA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170298420 1278981634 /nfs/dbraw/zinc/98/16/34/1278981634.db2.gz LNNKKSNDLKGBIH-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2nc(C)cc2C)c([N+](=O)[O-])c1 ZINC001170298323 1278981677 /nfs/dbraw/zinc/98/16/77/1278981677.db2.gz IWHFXJDFYYNUEQ-GFCCVEGCSA-N 1 0 332.404 2.638 20 5 EFBDRO C[NH+](C)C1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000787603523 1275833400 /nfs/dbraw/zinc/83/34/00/1275833400.db2.gz IPAITXKFEOSUGJ-UHFFFAOYSA-N 1 0 345.321 2.714 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170298564 1278982193 /nfs/dbraw/zinc/98/21/93/1278982193.db2.gz MLNBLCVMHQADLL-OAHLLOKOSA-N 1 0 335.448 2.856 20 5 EFBDRO COc1ccc(C[C@H](C)N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001170299754 1278982872 /nfs/dbraw/zinc/98/28/72/1278982872.db2.gz WCHIXYVZZHVCSK-XJKSGUPXSA-N 1 0 341.411 2.924 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170298563 1278982974 /nfs/dbraw/zinc/98/29/74/1278982974.db2.gz MLNBLCVMHQADLL-HNNXBMFYSA-N 1 0 335.448 2.856 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC001170298622 1278983759 /nfs/dbraw/zinc/98/37/59/1278983759.db2.gz NCEZRHQHOIEPBR-LLVKDONJSA-N 1 0 332.404 2.675 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170306416 1278983876 /nfs/dbraw/zinc/98/38/76/1278983876.db2.gz UUFXUUBYSZEQQW-SGTLLEGYSA-N 1 0 346.383 2.563 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC001157265268 1275860040 /nfs/dbraw/zinc/86/00/40/1275860040.db2.gz IKOVYZXZWQTZJE-GZMMTYOYSA-N 1 0 331.203 2.827 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000787767573 1275902008 /nfs/dbraw/zinc/90/20/08/1275902008.db2.gz RIRIAMXFWPENHY-IVZVJUQRSA-N 1 0 342.399 2.777 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2CO)c([N+](=O)[O-])c1 ZINC001170304912 1278990768 /nfs/dbraw/zinc/99/07/68/1278990768.db2.gz HWFTVGUHYIWSGU-CYBMUJFWSA-N 1 0 330.384 2.817 20 5 EFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788113216 1276062872 /nfs/dbraw/zinc/06/28/72/1276062872.db2.gz ALAYRBOTOLFRFZ-AAEUAGOBSA-N 1 0 329.356 2.860 20 5 EFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c3ccccc23)O1 ZINC001170285410 1279002252 /nfs/dbraw/zinc/00/22/52/1279002252.db2.gz YZKUMALRNXNIRN-KURKYZTESA-N 1 0 345.399 2.885 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(CCF)CC2)c([N+](=O)[O-])c1 ZINC001170312226 1279007811 /nfs/dbraw/zinc/00/78/11/1279007811.db2.gz FDULHSGPIBMWDE-ZDUSSCGKSA-N 1 0 339.411 2.558 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ncc(F)cn2)c([N+](=O)[O-])c1 ZINC001170313334 1279007838 /nfs/dbraw/zinc/00/78/38/1279007838.db2.gz LLGBJODYMNIYBS-WDEREUQCSA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313322 1279008278 /nfs/dbraw/zinc/00/82/78/1279008278.db2.gz LEPXEUUZSPOKTI-CQSZACIVSA-N 1 0 342.395 2.936 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2ccsc2)n1 ZINC000788435724 1276165372 /nfs/dbraw/zinc/16/53/72/1276165372.db2.gz HNQNCIDCRCFNQK-MCIONIFRSA-N 1 0 336.417 2.660 20 5 EFBDRO CCOC(=O)C(C)(C)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170314428 1279009700 /nfs/dbraw/zinc/00/97/00/1279009700.db2.gz VIXNOSZXRPCTCJ-GFCCVEGCSA-N 1 0 338.404 2.713 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCc3nccnc32)c([N+](=O)[O-])c1 ZINC001170323460 1279015585 /nfs/dbraw/zinc/01/55/85/1279015585.db2.gz KVTOUQDNUOKMIF-BLLLJJGKSA-N 1 0 342.399 2.992 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317704 1279012477 /nfs/dbraw/zinc/01/24/77/1279012477.db2.gz JRFFLKPJJPCFLH-HOCLYGCPSA-N 1 0 335.448 2.854 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnn3ccccc23)c([N+](=O)[O-])c1 ZINC001170327133 1279018299 /nfs/dbraw/zinc/01/82/99/1279018299.db2.gz FCYOKPFATYCEKV-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc3ccccn3n2)c([N+](=O)[O-])c1 ZINC001170326810 1279018313 /nfs/dbraw/zinc/01/83/13/1279018313.db2.gz NQWAUOSTOZKGFD-CYBMUJFWSA-N 1 0 340.383 2.972 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170327988 1279019017 /nfs/dbraw/zinc/01/90/17/1279019017.db2.gz TUGNLZORSMQIFP-GFCCVEGCSA-N 1 0 336.388 2.610 20 5 EFBDRO CCc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000788817427 1276335972 /nfs/dbraw/zinc/33/59/72/1276335972.db2.gz ZXHVAAJNVIPFTB-ZWKOTPCHSA-N 1 0 330.384 2.514 20 5 EFBDRO CC(C)c1ocnc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170332115 1279022957 /nfs/dbraw/zinc/02/29/57/1279022957.db2.gz MDZNLRDRGRHCHE-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000788961670 1276414312 /nfs/dbraw/zinc/41/43/12/1276414312.db2.gz DFMUBWUIHBLXQY-LBPRGKRZSA-N 1 0 338.404 2.918 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C(N)=O)CCCCCC2)c([N+](=O)[O-])c1 ZINC001170310012 1279032131 /nfs/dbraw/zinc/03/21/31/1279032131.db2.gz VQVUDNQUBNOUTD-CYBMUJFWSA-N 1 0 349.431 2.702 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000818023248 1276435495 /nfs/dbraw/zinc/43/54/95/1276435495.db2.gz IEJCGFQOEOTRBH-JFGNBEQYSA-N 1 0 325.796 2.694 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([N@H+](C)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170354960 1279034621 /nfs/dbraw/zinc/03/46/21/1279034621.db2.gz SMBGOCVFWPGVKC-XJKSGUPXSA-N 1 0 333.432 2.703 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000818253305 1276496669 /nfs/dbraw/zinc/49/66/69/1276496669.db2.gz RIGZSNBJQHPECI-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818522404 1276524935 /nfs/dbraw/zinc/52/49/35/1276524935.db2.gz SRXLRIAKOUPYKP-RNCFNFMXSA-N 1 0 343.786 2.564 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000818519540 1276524938 /nfs/dbraw/zinc/52/49/38/1276524938.db2.gz ZVOGGDLGNOBQKG-LKFCYVNXSA-N 1 0 343.786 2.516 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000818612962 1276539149 /nfs/dbraw/zinc/53/91/49/1276539149.db2.gz ZQXSMRKZTNUOOF-UHFFFAOYSA-N 1 0 335.379 2.648 20 5 EFBDRO Nc1c(OCCC2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000818619946 1276540315 /nfs/dbraw/zinc/54/03/15/1276540315.db2.gz PKVANRAAHOWRGE-UHFFFAOYSA-N 1 0 344.209 2.708 20 5 EFBDRO CCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818963118 1276552198 /nfs/dbraw/zinc/55/21/98/1276552198.db2.gz HAOSDIIVCNDCQH-QGZVFWFLSA-N 1 0 343.383 2.767 20 5 EFBDRO COc1ccc(C)cc1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941243 1276553933 /nfs/dbraw/zinc/55/39/33/1276553933.db2.gz RGMLWEIHCRNAJG-KRWDZBQOSA-N 1 0 330.384 2.778 20 5 EFBDRO Cc1cccc(OCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818944053 1276555125 /nfs/dbraw/zinc/55/51/25/1276555125.db2.gz DRXXPTQDLJWBAJ-SFHVURJKSA-N 1 0 330.384 2.995 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOc2ccccc2F)c1 ZINC000818944368 1276555150 /nfs/dbraw/zinc/55/51/50/1276555150.db2.gz KFZMWGVPYCKWNM-INIZCTEOSA-N 1 0 334.347 2.826 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1 ZINC000818954425 1276557534 /nfs/dbraw/zinc/55/75/34/1276557534.db2.gz SVFXNLJVEKPLIM-BEFAXECRSA-N 1 0 341.411 2.744 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000818958561 1276560198 /nfs/dbraw/zinc/56/01/98/1276560198.db2.gz QUUNJAZSYFYYDP-ZWKOTPCHSA-N 1 0 335.448 2.728 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000818958559 1276560788 /nfs/dbraw/zinc/56/07/88/1276560788.db2.gz QUUNJAZSYFYYDP-QZTJIDSGSA-N 1 0 335.448 2.728 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000818980360 1276563047 /nfs/dbraw/zinc/56/30/47/1276563047.db2.gz IVFQLDKHUVJEAG-MOPGFXCFSA-N 1 0 343.427 2.829 20 5 EFBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818984077 1276563380 /nfs/dbraw/zinc/56/33/80/1276563380.db2.gz WBHVAEQRGUEQES-IFXJQAMLSA-N 1 0 341.411 2.669 20 5 EFBDRO CCCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991183 1276564896 /nfs/dbraw/zinc/56/48/96/1276564896.db2.gz YLOCNZCQTIJDJK-MSOLQXFVSA-N 1 0 335.448 2.872 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000818991149 1276565451 /nfs/dbraw/zinc/56/54/51/1276565451.db2.gz XPAFINCMMAGTNU-QGZVFWFLSA-N 1 0 343.383 2.602 20 5 EFBDRO CCOc1ccccc1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819010898 1276570244 /nfs/dbraw/zinc/57/02/44/1276570244.db2.gz IGSVFILFZDBDQF-KRWDZBQOSA-N 1 0 330.384 2.859 20 5 EFBDRO CCOc1ccccc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819011455 1276571721 /nfs/dbraw/zinc/57/17/21/1276571721.db2.gz QFTHTMADKSBJCC-KRWDZBQOSA-N 1 0 330.384 2.859 20 5 EFBDRO CN(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000818967747 1276572498 /nfs/dbraw/zinc/57/24/98/1276572498.db2.gz AOFQCWBBUGUIQH-SFHVURJKSA-N 1 0 347.390 2.883 20 5 EFBDRO CCCOc1ncccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818976519 1276574713 /nfs/dbraw/zinc/57/47/13/1276574713.db2.gz HWUJMQCOQIBKKG-INIZCTEOSA-N 1 0 331.372 2.602 20 5 EFBDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974080 1276575202 /nfs/dbraw/zinc/57/52/02/1276575202.db2.gz CYGLNQGTELFJIX-BASYENTBSA-N 1 0 335.448 2.584 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000819042685 1276578903 /nfs/dbraw/zinc/57/89/03/1276578903.db2.gz RAPUWVNHGLIKTN-RHSMWYFYSA-N 1 0 328.368 2.784 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000819046296 1276579706 /nfs/dbraw/zinc/57/97/06/1276579706.db2.gz JZOCTKCKSBVHLB-HNAYVOBHSA-N 1 0 343.427 2.738 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000819046294 1276580276 /nfs/dbraw/zinc/58/02/76/1276580276.db2.gz JZOCTKCKSBVHLB-BEFAXECRSA-N 1 0 343.427 2.738 20 5 EFBDRO COc1ccccc1OCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016762 1276589071 /nfs/dbraw/zinc/58/90/71/1276589071.db2.gz ATWMNYXDACRSAE-INIZCTEOSA-N 1 0 346.383 2.696 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000819072255 1276620201 /nfs/dbraw/zinc/62/02/01/1276620201.db2.gz BPWMFVXLYYYZPT-VQIMIIECSA-N 1 0 341.411 2.887 20 5 EFBDRO C[C@H](O)C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819156850 1276633221 /nfs/dbraw/zinc/63/32/21/1276633221.db2.gz ZIZGSWLTHPJDSN-POZUXBRTSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819112680 1276636682 /nfs/dbraw/zinc/63/66/82/1276636682.db2.gz HMLYNOWTFFUZEN-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819117330 1276637367 /nfs/dbraw/zinc/63/73/67/1276637367.db2.gz FRECLCSTBWORIR-UGSOOPFHSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116463 1276637483 /nfs/dbraw/zinc/63/74/83/1276637483.db2.gz YLWKOAIHFLLTMS-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819116461 1276638077 /nfs/dbraw/zinc/63/80/77/1276638077.db2.gz YLWKOAIHFLLTMS-RHSMWYFYSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819117328 1276638079 /nfs/dbraw/zinc/63/80/79/1276638079.db2.gz FRECLCSTBWORIR-FZKQIMNGSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116483 1276638351 /nfs/dbraw/zinc/63/83/51/1276638351.db2.gz ZEUNLAYKLFPEDC-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO COc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819114730 1276638399 /nfs/dbraw/zinc/63/83/99/1276638399.db2.gz XGUOONCDLLFMED-SCLBCKFNSA-N 1 0 346.383 2.694 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819182017 1276660123 /nfs/dbraw/zinc/66/01/23/1276660123.db2.gz GKVVUPCPTVKUNG-MAUKXSAKSA-N 1 0 335.448 2.586 20 5 EFBDRO CC(C)(C)Oc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819201686 1276674957 /nfs/dbraw/zinc/67/49/57/1276674957.db2.gz UXFDPPZBEDJXFS-INIZCTEOSA-N 1 0 345.399 2.990 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000819236124 1276676814 /nfs/dbraw/zinc/67/68/14/1276676814.db2.gz DQPHTAFHIIQICY-GDIGMMSISA-N 1 0 343.427 2.909 20 5 EFBDRO CCSc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819244442 1276681485 /nfs/dbraw/zinc/68/14/85/1276681485.db2.gz NZGKHGGGWBNABW-OAHLLOKOSA-N 1 0 333.413 2.925 20 5 EFBDRO CCSc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819244441 1276681772 /nfs/dbraw/zinc/68/17/72/1276681772.db2.gz NZGKHGGGWBNABW-HNNXBMFYSA-N 1 0 333.413 2.925 20 5 EFBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819213638 1276690537 /nfs/dbraw/zinc/69/05/37/1276690537.db2.gz NUYWPOGCCIHMFY-INIZCTEOSA-N 1 0 345.399 2.990 20 5 EFBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819215824 1276691901 /nfs/dbraw/zinc/69/19/01/1276691901.db2.gz OCPONJUGXAYENA-GUYCJALGSA-N 1 0 345.399 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000819236164 1276701119 /nfs/dbraw/zinc/70/11/19/1276701119.db2.gz RCQNRJWEVRMWSL-KVZIAJEVSA-N 1 0 342.395 2.966 20 5 EFBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170773469 1287237098 /nfs/dbraw/zinc/23/70/98/1287237098.db2.gz HKCQPLVEICLGHH-ACJLOTCBSA-N 1 0 344.418 2.928 20 5 EFBDRO CCO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819267420 1276720921 /nfs/dbraw/zinc/72/09/21/1276720921.db2.gz TZXRLKTZCQICFR-QZTJIDSGSA-N 1 0 330.384 2.996 20 5 EFBDRO COc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819277313 1276725824 /nfs/dbraw/zinc/72/58/24/1276725824.db2.gz HHNKUEGARWPOLD-RCCFBDPRSA-N 1 0 328.368 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327740 1276730051 /nfs/dbraw/zinc/73/00/51/1276730051.db2.gz HBUOTRKELSTAER-KSSFIOAISA-N 1 0 345.374 2.636 20 5 EFBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819362002 1276755545 /nfs/dbraw/zinc/75/55/45/1276755545.db2.gz SIDXBYBNFUTWCL-KZULUSFZSA-N 1 0 348.374 2.997 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000789511690 1276767840 /nfs/dbraw/zinc/76/78/40/1276767840.db2.gz DZXAUOUUWRUYRX-WBVHZDCISA-N 1 0 330.388 2.854 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819453368 1276773996 /nfs/dbraw/zinc/77/39/96/1276773996.db2.gz UJHUSKMMDGHTNO-GOSISDBHSA-N 1 0 345.399 2.681 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000789751394 1276988311 /nfs/dbraw/zinc/98/83/11/1276988311.db2.gz CLARTKIGCNKROL-UHFFFAOYSA-N 1 0 334.763 2.891 20 5 EFBDRO CCOC(=O)[C@]12C[C@H]1CCN2[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334488 1279027227 /nfs/dbraw/zinc/02/72/27/1279027227.db2.gz FOYOHZFYKCGOJO-DFHBCGBQSA-N 1 0 348.399 2.562 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000585116648 1277328176 /nfs/dbraw/zinc/32/81/76/1277328176.db2.gz DIIOJKCAYGCRJH-IBGZPJMESA-N 1 0 339.395 2.532 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000923262728 1277384894 /nfs/dbraw/zinc/38/48/94/1277384894.db2.gz UENFHFKUZNURMZ-CABCVRRESA-N 1 0 347.415 2.691 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923284836 1277484112 /nfs/dbraw/zinc/48/41/12/1277484112.db2.gz VUOPYFZARHABPB-SNVBAGLBSA-N 1 0 342.237 2.917 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923295414 1277523842 /nfs/dbraw/zinc/52/38/42/1277523842.db2.gz WHFIWMKCXZJRCB-LBPRGKRZSA-N 1 0 328.210 2.541 20 5 EFBDRO COCCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790479012 1277588223 /nfs/dbraw/zinc/58/82/23/1277588223.db2.gz NGJFZIMHYUWESW-CHWSQXEVSA-N 1 0 349.387 2.597 20 5 EFBDRO Cc1c(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cccc1[N+](=O)[O-] ZINC000871797159 1287295221 /nfs/dbraw/zinc/29/52/21/1287295221.db2.gz BYRSXMIMBGONGG-AGUYFDCRSA-N 1 0 328.372 2.875 20 5 EFBDRO CN(CC(C)(C)CNc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001113426670 1277816410 /nfs/dbraw/zinc/81/64/10/1277816410.db2.gz DHWYZCXKUSCIOH-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CN(C)c1ccc(COC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000790944894 1277870590 /nfs/dbraw/zinc/87/05/90/1277870590.db2.gz INTVDBLFVCZHLL-UHFFFAOYSA-N 1 0 340.339 2.666 20 5 EFBDRO O=C(Cc1ccccc1F)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175114024 1287314425 /nfs/dbraw/zinc/31/44/25/1287314425.db2.gz XOBMZEUFONNFSQ-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO CCCC[NH+]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170346615 1279051065 /nfs/dbraw/zinc/05/10/65/1279051065.db2.gz OSWOSKWNJBKZAS-HNNXBMFYSA-N 1 0 335.448 2.952 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ccncc3C2)c([N+](=O)[O-])c1 ZINC001170348474 1279054884 /nfs/dbraw/zinc/05/48/84/1279054884.db2.gz XNTGOPJRBVZNGS-CYBMUJFWSA-N 1 0 327.384 2.988 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3cccnc3C2)c([N+](=O)[O-])c1 ZINC001170351753 1279058772 /nfs/dbraw/zinc/05/87/72/1279058772.db2.gz HSUDMTGMSAIDEX-ZDUSSCGKSA-N 1 0 327.384 2.988 20 5 EFBDRO CN(CC(=O)N(C)Cc1c2ccccc2cc2ccccc21)C(N)=[NH2+] ZINC001144132003 1279136564 /nfs/dbraw/zinc/13/65/64/1279136564.db2.gz ANDZQZVLXWXYQM-UHFFFAOYSA-N 1 0 334.423 2.777 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000844643572 1279162991 /nfs/dbraw/zinc/16/29/91/1279162991.db2.gz UKHXVMXIVFHXSC-HBNTYKKESA-N 1 0 325.796 2.801 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000792873365 1279199250 /nfs/dbraw/zinc/19/92/50/1279199250.db2.gz SCDIEQJRXZVFCJ-UHFFFAOYSA-N 1 0 348.403 2.953 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001171166333 1279452956 /nfs/dbraw/zinc/45/29/56/1279452956.db2.gz UQDSUMZRSCZMOL-LLVKDONJSA-N 1 0 344.346 2.509 20 5 EFBDRO COCC[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845473547 1279665287 /nfs/dbraw/zinc/66/52/87/1279665287.db2.gz GIAUCWZXLNNOHW-UHFFFAOYSA-N 1 0 331.775 2.910 20 5 EFBDRO CS[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000845509354 1279691676 /nfs/dbraw/zinc/69/16/76/1279691676.db2.gz DRMMNCUWMGEBHS-STQMWFEESA-N 1 0 333.816 2.869 20 5 EFBDRO O=C(CO)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000793592353 1279760628 /nfs/dbraw/zinc/76/06/28/1279760628.db2.gz KOZQNTJXFUGBEG-UHFFFAOYSA-N 1 0 334.419 2.630 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)C1 ZINC000793748983 1279862692 /nfs/dbraw/zinc/86/26/92/1279862692.db2.gz WGLNHEGVFMHIMI-MRXNPFEDSA-N 1 0 348.428 2.857 20 5 EFBDRO C[C@H](CC(=O)O[C@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])n1ccnc1 ZINC000845882334 1279904747 /nfs/dbraw/zinc/90/47/47/1279904747.db2.gz SRRJKLISPKCXFS-WQGACYEGSA-N 1 0 335.335 2.923 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110738 1280019640 /nfs/dbraw/zinc/01/96/40/1280019640.db2.gz ZNYNOPTUPBZZPO-AWEZNQCLSA-N 1 0 349.214 2.923 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000804475876 1280227699 /nfs/dbraw/zinc/22/76/99/1280227699.db2.gz UASGMAGWZDRPEF-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809915836 1287407391 /nfs/dbraw/zinc/40/73/91/1287407391.db2.gz RYPHSJZNNJZAJR-NXEZZACHSA-N 1 0 326.784 2.805 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872035186 1287407789 /nfs/dbraw/zinc/40/77/89/1287407789.db2.gz NRGYSOPCCBIREF-IAQYHMDHSA-N 1 0 328.434 2.755 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000872040591 1287409926 /nfs/dbraw/zinc/40/99/26/1287409926.db2.gz MJFQIWXOOBYQBY-IINYFYTJSA-N 1 0 328.459 2.835 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872044457 1287409941 /nfs/dbraw/zinc/40/99/41/1287409941.db2.gz BHCQMCOIDNLSQA-NSHDSACASA-N 1 0 335.433 2.821 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000872050313 1287412314 /nfs/dbraw/zinc/41/23/14/1287412314.db2.gz YLZYIJIQOQAPTI-WDEREUQCSA-N 1 0 335.429 2.731 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000872050311 1287412652 /nfs/dbraw/zinc/41/26/52/1287412652.db2.gz YLZYIJIQOQAPTI-MNOVXSKESA-N 1 0 335.429 2.731 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000872051233 1287412778 /nfs/dbraw/zinc/41/27/78/1287412778.db2.gz GOFPSPXDETYKTO-ZOWXZIJZSA-N 1 0 339.461 2.686 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000815288175 1287413071 /nfs/dbraw/zinc/41/30/71/1287413071.db2.gz QOWVEQPBQZYIBY-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1ccc(N[C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001091350164 1280383137 /nfs/dbraw/zinc/38/31/37/1280383137.db2.gz HSMRAWOQEGATDV-GASCZTMLSA-N 1 0 348.447 2.550 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846662497 1280404037 /nfs/dbraw/zinc/40/40/37/1280404037.db2.gz SYWYJQZFWICLRL-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000846693541 1280420147 /nfs/dbraw/zinc/42/01/47/1280420147.db2.gz ILNMIVYXQPFTRP-GXFFZTMASA-N 1 0 325.796 2.838 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000872084612 1287423360 /nfs/dbraw/zinc/42/33/60/1287423360.db2.gz SWHXTHRZYJIBSV-NWDGAFQWSA-N 1 0 349.456 2.978 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1=O ZINC000872083081 1287423663 /nfs/dbraw/zinc/42/36/63/1287423663.db2.gz GVPBPOXJQZFGGC-NEPJUHHUSA-N 1 0 337.445 2.836 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@]1(O)CCCOC1 ZINC000872082976 1287423881 /nfs/dbraw/zinc/42/38/81/1287423881.db2.gz FJJAQBNQBPWGTR-BLLLJJGKSA-N 1 0 340.445 2.899 20 5 EFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000805182598 1280473323 /nfs/dbraw/zinc/47/33/23/1280473323.db2.gz MZOABORPAQFLHM-HNNXBMFYSA-N 1 0 348.447 2.653 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846946621 1280649495 /nfs/dbraw/zinc/64/94/95/1280649495.db2.gz TWUNCNTXNGXXLX-UHFFFAOYSA-N 1 0 341.839 2.573 20 5 EFBDRO [NH3+]Cc1ccccc1CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160906478 1280806434 /nfs/dbraw/zinc/80/64/34/1280806434.db2.gz YEXUKSUMOHKISI-UHFFFAOYSA-N 1 0 342.733 2.941 20 5 EFBDRO O=[N+]([O-])c1ccc(Sc2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)cc2)cc1 ZINC001170783636 1287471345 /nfs/dbraw/zinc/47/13/45/1287471345.db2.gz YOLZVKREMUFBQH-PXAZEXFGSA-N 1 0 345.424 2.738 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000806589244 1281111622 /nfs/dbraw/zinc/11/16/22/1281111622.db2.gz LTYOCPNHTYFNHC-IUODEOHRSA-N 1 0 334.445 2.850 20 5 EFBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]C1 ZINC001170520054 1281250316 /nfs/dbraw/zinc/25/03/16/1281250316.db2.gz BQDLGCPHLBVBIR-UHFFFAOYSA-N 1 0 341.367 2.970 20 5 EFBDRO CCOC(=O)C1=C(Nc2cc3ccccc3c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001170521753 1281282897 /nfs/dbraw/zinc/28/28/97/1281282897.db2.gz NSACOGAHXZTBNG-UHFFFAOYSA-N 1 0 341.367 2.970 20 5 EFBDRO O=C(CCc1ccc(F)cc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130918140 1281294531 /nfs/dbraw/zinc/29/45/31/1281294531.db2.gz OFHZBOLAHDUBNL-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO Cc1oc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001131043972 1281415448 /nfs/dbraw/zinc/41/54/48/1281415448.db2.gz VCNDSEWSACOTLN-UHFFFAOYSA-N 1 0 331.372 2.633 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])cc(Br)n3)nc2c1 ZINC001171324988 1281478195 /nfs/dbraw/zinc/47/81/95/1281478195.db2.gz SPSGOPIVIJPXTO-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171325037 1281478850 /nfs/dbraw/zinc/47/88/50/1281478850.db2.gz UNGHEPSLJXMOPX-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000808190592 1281581148 /nfs/dbraw/zinc/58/11/48/1281581148.db2.gz IAWZSYBUOSNUAK-WMLDXEAASA-N 1 0 343.431 2.769 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000808190593 1281581155 /nfs/dbraw/zinc/58/11/55/1281581155.db2.gz IAWZSYBUOSNUAK-YOEHRIQHSA-N 1 0 343.431 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(Oc2ncc(NC[C@@H]3CCCC[NH2+]3)cn2)cc1 ZINC001171332968 1281633267 /nfs/dbraw/zinc/63/32/67/1281633267.db2.gz BGBXNGIOVWZBCP-LBPRGKRZSA-N 1 0 329.360 2.731 20 5 EFBDRO Cc1nc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c(C)c1Br ZINC001171336271 1281742235 /nfs/dbraw/zinc/74/22/35/1281742235.db2.gz ZJIIFYQLJNITFA-JTQLQIEISA-N 1 0 343.225 2.923 20 5 EFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808785731 1281899194 /nfs/dbraw/zinc/89/91/94/1281899194.db2.gz RNVSHZDQMOHSTD-SFHVURJKSA-N 1 0 329.400 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000809733186 1282411142 /nfs/dbraw/zinc/41/11/42/1282411142.db2.gz QYFNUOLPEIDYCJ-RHSMWYFYSA-N 1 0 328.368 2.784 20 5 EFBDRO [NH3+]CCN(Cc1cc(F)c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809734645 1282411605 /nfs/dbraw/zinc/41/16/05/1282411605.db2.gz JDXASMUIZAZBBW-UHFFFAOYSA-N 1 0 325.290 2.977 20 5 EFBDRO [NH3+]CCN(Cc1cnc2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000809734385 1282413354 /nfs/dbraw/zinc/41/33/54/1282413354.db2.gz CJQHOHBJKUVFQN-UHFFFAOYSA-N 1 0 345.790 2.861 20 5 EFBDRO CC(=O)Nc1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734956 1282414776 /nfs/dbraw/zinc/41/47/76/1282414776.db2.gz OOLWOMBHDFKVQI-UHFFFAOYSA-N 1 0 328.372 2.519 20 5 EFBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000809734912 1282415019 /nfs/dbraw/zinc/41/50/19/1282415019.db2.gz OALQNPPDXGCLQR-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809754099 1282456977 /nfs/dbraw/zinc/45/69/77/1282456977.db2.gz BXMNLDCXTPBXEV-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO CSCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)C ZINC000809783595 1282482016 /nfs/dbraw/zinc/48/20/16/1282482016.db2.gz AJHBFUWEBIUWBQ-LBPRGKRZSA-N 1 0 345.852 2.548 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809915845 1282563780 /nfs/dbraw/zinc/56/37/80/1282563780.db2.gz RYPHSJZNNJZAJR-VHSXEESVSA-N 1 0 326.784 2.805 20 5 EFBDRO CCOC(=O)[C@H](CC(C)(C)F)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170790403 1287581242 /nfs/dbraw/zinc/58/12/42/1287581242.db2.gz BBOAVYHXFVXXOO-ZDUSSCGKSA-N 1 0 339.367 2.680 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CCC2)CCC1 ZINC001131940930 1282603792 /nfs/dbraw/zinc/60/37/92/1282603792.db2.gz OVCVLHABXLGBIV-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132023370 1282738209 /nfs/dbraw/zinc/73/82/09/1282738209.db2.gz BPQUJVUSRGFXED-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558744 1287595341 /nfs/dbraw/zinc/59/53/41/1287595341.db2.gz MSVLQYAASJNLQH-LBPRGKRZSA-N 1 0 329.404 2.603 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567293 1287601252 /nfs/dbraw/zinc/60/12/52/1287601252.db2.gz SYAYOHJRJITUIK-OCCSQVGLSA-N 1 0 340.383 2.633 20 5 EFBDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582617 1287612275 /nfs/dbraw/zinc/61/22/75/1287612275.db2.gz LGKVVRIARQKJMO-CYBMUJFWSA-N 1 0 337.420 2.661 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596825 1287624524 /nfs/dbraw/zinc/62/45/24/1287624524.db2.gz FMJJZCHYNIZVRD-GXTWGEPZSA-N 1 0 335.404 2.556 20 5 EFBDRO COc1cc([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])cc1F ZINC001171394916 1283248476 /nfs/dbraw/zinc/24/84/76/1283248476.db2.gz WLMDGMFHGYNIBG-JTQLQIEISA-N 1 0 333.319 2.600 20 5 EFBDRO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815622715 1287644064 /nfs/dbraw/zinc/64/40/64/1287644064.db2.gz CPZIOXVUUXXOBF-XJKSGUPXSA-N 1 0 329.400 2.821 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NCC[C@H]1CCC[NH2+]1 ZINC001158626916 1283647193 /nfs/dbraw/zinc/64/71/93/1283647193.db2.gz JNNHYJZUMPNMQI-ZCFIWIBFSA-N 1 0 339.705 2.611 20 5 EFBDRO C[NH2+]C1(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCCCC1 ZINC000872630249 1287705735 /nfs/dbraw/zinc/70/57/35/1287705735.db2.gz ZHQRATSURRCSMA-UHFFFAOYSA-N 1 0 335.404 2.645 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000811483341 1284343524 /nfs/dbraw/zinc/34/35/24/1284343524.db2.gz GAJHFGHGEBDVQG-RNCFNFMXSA-N 1 0 348.230 2.710 20 5 EFBDRO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000811490947 1284348132 /nfs/dbraw/zinc/34/81/32/1284348132.db2.gz WMGPAPAJJYIXMJ-CYBMUJFWSA-N 1 0 335.187 2.797 20 5 EFBDRO O=C(NCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811471998 1284356881 /nfs/dbraw/zinc/35/68/81/1284356881.db2.gz QUXWHORARVUPQN-UHFFFAOYSA-N 1 0 332.187 2.517 20 5 EFBDRO C[S@](=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480999 1284365326 /nfs/dbraw/zinc/36/53/26/1284365326.db2.gz LXUSTIBUVNSXLR-IBGZPJMESA-N 1 0 325.217 2.760 20 5 EFBDRO CCc1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133030155 1284682733 /nfs/dbraw/zinc/68/27/33/1284682733.db2.gz UEGNBEGILXBYSG-UHFFFAOYSA-N 1 0 333.413 2.738 20 5 EFBDRO CCc1ccccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133030168 1284683338 /nfs/dbraw/zinc/68/33/38/1284683338.db2.gz UTUSTLGXGXLPFQ-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO CC(C)n1cccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176208325 1287745310 /nfs/dbraw/zinc/74/53/10/1287745310.db2.gz VKDJJXQJOFANOZ-UHFFFAOYSA-N 1 0 344.415 2.887 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccc1F ZINC001133156930 1284888153 /nfs/dbraw/zinc/88/81/53/1284888153.db2.gz ACIZPCJGARAVEV-UHFFFAOYSA-N 1 0 337.376 2.623 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)n2)cc1 ZINC000872712388 1287754482 /nfs/dbraw/zinc/75/44/82/1287754482.db2.gz MVVVUPPDRRGOGR-GASCZTMLSA-N 1 0 325.372 2.709 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001158823992 1285050456 /nfs/dbraw/zinc/05/04/56/1285050456.db2.gz ILYBPSGZFRSMAO-UHFFFAOYSA-N 1 0 343.840 2.658 20 5 EFBDRO Cc1cc(C)cc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001133239328 1285066704 /nfs/dbraw/zinc/06/67/04/1285066704.db2.gz MQDONXULGQPYQR-UHFFFAOYSA-N 1 0 347.440 2.722 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001094454796 1285124348 /nfs/dbraw/zinc/12/43/48/1285124348.db2.gz BBIAHRZYEDLGNN-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110164204 1285920571 /nfs/dbraw/zinc/92/05/71/1285920571.db2.gz CXEURIMIVDABNO-UHFFFAOYSA-N 1 0 346.431 2.532 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001171928201 1285928021 /nfs/dbraw/zinc/92/80/21/1285928021.db2.gz VQPOAOLQIODAQB-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)C2)C1 ZINC000813636207 1286032738 /nfs/dbraw/zinc/03/27/38/1286032738.db2.gz QJIPWNHAXHBGGH-OAHLLOKOSA-N 1 0 327.331 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@](O)(CF)[C@@H](F)C1)CC2 ZINC001172904562 1286308616 /nfs/dbraw/zinc/30/86/16/1286308616.db2.gz OMHHWFMXFGNYGG-XIRDDKMYSA-N 1 0 340.370 2.587 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@](O)(C(F)(F)F)C1)CC2 ZINC001172904471 1286308943 /nfs/dbraw/zinc/30/89/43/1286308943.db2.gz NROFOOJEXABGOY-UKRRQHHQSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(c3cnccn3)CC1)CC2 ZINC001172904593 1286308963 /nfs/dbraw/zinc/30/89/63/1286308963.db2.gz OLNLEKVDFHHRBU-INIZCTEOSA-N 1 0 338.411 2.954 20 5 EFBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896430 1286327095 /nfs/dbraw/zinc/32/70/95/1286327095.db2.gz POCXMSRDNITIGQ-HNNXBMFYSA-N 1 0 349.431 2.957 20 5 EFBDRO Cc1ccc([C@H](C)Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c(C)c1 ZINC001170726599 1286328438 /nfs/dbraw/zinc/32/84/38/1286328438.db2.gz PXZDFKJTXZIOTF-LBPRGKRZSA-N 1 0 327.388 2.862 20 5 EFBDRO Cn1cnc2c1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172912947 1286353203 /nfs/dbraw/zinc/35/32/03/1286353203.db2.gz MZWVZNAYSOTPOT-HNNXBMFYSA-N 1 0 326.400 2.634 20 5 EFBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172912743 1286353467 /nfs/dbraw/zinc/35/34/67/1286353467.db2.gz OZAKSJJNMQUYHY-INIZCTEOSA-N 1 0 325.368 2.710 20 5 EFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912262 1286353615 /nfs/dbraw/zinc/35/36/15/1286353615.db2.gz KFQTWFLOGSNSNT-MAUKXSAKSA-N 1 0 332.400 2.727 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008468 1286381900 /nfs/dbraw/zinc/38/19/00/1286381900.db2.gz AUZMAXIKIVKSNF-BJHJDKERSA-N 1 0 341.358 2.609 20 5 EFBDRO COC(C)(C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012779 1286382747 /nfs/dbraw/zinc/38/27/47/1286382747.db2.gz ZRNDHFSBPBILSI-UHFFFAOYSA-N 1 0 343.374 2.856 20 5 EFBDRO COCC(C)(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011570 1286382852 /nfs/dbraw/zinc/38/28/52/1286382852.db2.gz FOPUABLLMHQTTC-UHFFFAOYSA-N 1 0 343.374 2.856 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2[nH]ccc21 ZINC001134181122 1286424914 /nfs/dbraw/zinc/42/49/14/1286424914.db2.gz MQTHVWBPZIPTIQ-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)CC(C)C)c1F ZINC001173176167 1286452583 /nfs/dbraw/zinc/45/25/83/1286452583.db2.gz ZRBFOWDVTLDWHV-NWDGAFQWSA-N 1 0 328.384 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@](C)(O)CC2)c1F ZINC001173175814 1286452632 /nfs/dbraw/zinc/45/26/32/1286452632.db2.gz TWJFCMYWGISKHI-PSTGCABASA-N 1 0 340.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ncc(C)cn2)c1F ZINC001173176174 1286452724 /nfs/dbraw/zinc/45/27/24/1286452724.db2.gz ZVBDFXXPZGUNRD-LBPRGKRZSA-N 1 0 348.378 2.604 20 5 EFBDRO COc1cncc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173176924 1286452735 /nfs/dbraw/zinc/45/27/35/1286452735.db2.gz AGGLXERVDJOSQL-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@@](C)(O)CC2)c1F ZINC001173175815 1286452811 /nfs/dbraw/zinc/45/28/11/1286452811.db2.gz TWJFCMYWGISKHI-QFSBIZTOSA-N 1 0 340.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@]2(C)CC[C@H](O)CC2)c1F ZINC001173178732 1286453233 /nfs/dbraw/zinc/45/32/33/1286453233.db2.gz HYRDZZFPOPRHAS-PRXAMGSTSA-N 1 0 340.395 2.957 20 5 EFBDRO CCn1cnc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173178814 1286453576 /nfs/dbraw/zinc/45/35/76/1286453576.db2.gz IOJWCAHINPBZIF-LLVKDONJSA-N 1 0 336.367 2.680 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2)c1F ZINC001173179197 1286453651 /nfs/dbraw/zinc/45/36/51/1286453651.db2.gz NYKLSXBAEOXAMK-CHWSQXEVSA-N 1 0 339.411 2.746 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncnc2C)c1F ZINC001173177680 1286453872 /nfs/dbraw/zinc/45/38/72/1286453872.db2.gz CTQWOUXIHICPFR-SNVBAGLBSA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c1F ZINC001173180213 1286454791 /nfs/dbraw/zinc/45/47/91/1286454791.db2.gz JIKCYVICAHNKQY-PSTGCABASA-N 1 0 340.395 2.766 20 5 EFBDRO COCC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173179880 1286454853 /nfs/dbraw/zinc/45/48/53/1286454853.db2.gz RGQCQWRMDBVRIH-NSHDSACASA-N 1 0 326.368 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC3(COC3)C2)c1F ZINC001173183507 1286456203 /nfs/dbraw/zinc/45/62/03/1286456203.db2.gz ZETXUQDUMGMKIG-LBPRGKRZSA-N 1 0 338.379 2.786 20 5 EFBDRO C=Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001134198754 1286456904 /nfs/dbraw/zinc/45/69/04/1286456904.db2.gz BTDFACOMLBXNLJ-UHFFFAOYSA-N 1 0 325.368 2.757 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(F)cn2)c1F ZINC001173191541 1286458021 /nfs/dbraw/zinc/45/80/21/1286458021.db2.gz MMQAJBCLJPHTKP-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H]([NH+](C)C)C2)c1F ZINC001173190105 1286458163 /nfs/dbraw/zinc/45/81/63/1286458163.db2.gz QIVHEJNQGXUXGV-QWHCGFSZSA-N 1 0 339.411 2.700 20 5 EFBDRO CCC[NH+]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173190545 1286458290 /nfs/dbraw/zinc/45/82/90/1286458290.db2.gz VMAUFMFNAZLADX-ZDUSSCGKSA-N 1 0 339.411 2.701 20 5 EFBDRO CC[N@@H+]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173192115 1286458960 /nfs/dbraw/zinc/45/89/60/1286458960.db2.gz HZZDCDONJADHJK-CHWSQXEVSA-N 1 0 339.411 2.700 20 5 EFBDRO CCN(CCC[NH+](C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193068 1286459372 /nfs/dbraw/zinc/45/93/72/1286459372.db2.gz PBZDWIBDXAPIKO-CYBMUJFWSA-N 1 0 341.427 2.947 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215865 1286470003 /nfs/dbraw/zinc/47/00/03/1286470003.db2.gz AOFRQFQOVXFTDJ-UGSOOPFHSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)Nc1ccccc1 ZINC001173236338 1286473188 /nfs/dbraw/zinc/47/31/88/1286473188.db2.gz ZYLADYCQFFLBCM-AWEZNQCLSA-N 1 0 342.399 2.937 20 5 EFBDRO Cc1nnc2ccc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)cn12 ZINC001173222880 1286475900 /nfs/dbraw/zinc/47/59/00/1286475900.db2.gz FTJHFDDFZLVVBO-LBPRGKRZSA-N 1 0 325.372 2.667 20 5 EFBDRO COCc1noc2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173225803 1286480696 /nfs/dbraw/zinc/48/06/96/1286480696.db2.gz OVWZXLACMNEQIL-LBPRGKRZSA-N 1 0 331.372 2.719 20 5 EFBDRO COCc1noc2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173225801 1286481063 /nfs/dbraw/zinc/48/10/63/1286481063.db2.gz OVWZXLACMNEQIL-GFCCVEGCSA-N 1 0 331.372 2.719 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001173228830 1286482064 /nfs/dbraw/zinc/48/20/64/1286482064.db2.gz UAZPVFAMAJEMSO-CQSZACIVSA-N 1 0 346.431 2.656 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC001173228707 1286482091 /nfs/dbraw/zinc/48/20/91/1286482091.db2.gz ZOOLYNJMRYXQRK-MRXNPFEDSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC001173229245 1286482192 /nfs/dbraw/zinc/48/21/92/1286482192.db2.gz RWYCPSCMGUDQPA-HNNXBMFYSA-N 1 0 326.400 2.743 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001173228395 1286482305 /nfs/dbraw/zinc/48/23/05/1286482305.db2.gz VVSRNQRRFAFVOL-RDJZCZTQSA-N 1 0 345.443 2.860 20 5 EFBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226716 1286482444 /nfs/dbraw/zinc/48/24/44/1286482444.db2.gz KZHHBCWBKZGOQF-YOEHRIQHSA-N 1 0 333.432 2.907 20 5 EFBDRO CC(C)Oc1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173228955 1286482475 /nfs/dbraw/zinc/48/24/75/1286482475.db2.gz OJFXDDCMSPMKHN-CYBMUJFWSA-N 1 0 330.388 2.893 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001173229651 1286482876 /nfs/dbraw/zinc/48/28/76/1286482876.db2.gz OQCQVNXKMPKNAH-IFXJQAMLSA-N 1 0 325.412 2.911 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC001173230353 1286482915 /nfs/dbraw/zinc/48/29/15/1286482915.db2.gz XMWFXFSXBCJQPB-MRXNPFEDSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001173232337 1286483532 /nfs/dbraw/zinc/48/35/32/1286483532.db2.gz FEVMPKQFQFXMDJ-WFASDCNBSA-N 1 0 325.359 2.551 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC001173230235 1286483607 /nfs/dbraw/zinc/48/36/07/1286483607.db2.gz DEQRYUVZOXZDBA-AWEZNQCLSA-N 1 0 331.416 2.613 20 5 EFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232893 1286484082 /nfs/dbraw/zinc/48/40/82/1286484082.db2.gz JAEVBWVGDNZLOL-QEWYBTABSA-N 1 0 332.400 2.799 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NC1CCCCC1 ZINC001173233497 1286484159 /nfs/dbraw/zinc/48/41/59/1286484159.db2.gz JHYZBFXZJWNRKL-CQSZACIVSA-N 1 0 333.432 2.954 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)NCc1ccccc1 ZINC001173234853 1286484243 /nfs/dbraw/zinc/48/42/43/1286484243.db2.gz QLDORGFDBGFMHQ-HNNXBMFYSA-N 1 0 341.411 2.822 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccn2)C1 ZINC001173233224 1286484272 /nfs/dbraw/zinc/48/42/72/1286484272.db2.gz JRGSQCNUOLERAJ-RDTXWAMCSA-N 1 0 327.384 2.994 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001173234092 1286484332 /nfs/dbraw/zinc/48/43/32/1286484332.db2.gz MIRLRJFJIZJVJX-ZDUSSCGKSA-N 1 0 344.367 2.923 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001173233605 1286484392 /nfs/dbraw/zinc/48/43/92/1286484392.db2.gz JWYFOVYODGHGMM-ZDUSSCGKSA-N 1 0 345.374 2.685 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccn2)C1 ZINC001173233218 1286484580 /nfs/dbraw/zinc/48/45/80/1286484580.db2.gz JRGSQCNUOLERAJ-KBXCAEBGSA-N 1 0 327.384 2.994 20 5 EFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209777 1286485404 /nfs/dbraw/zinc/48/54/04/1286485404.db2.gz FYSGRZWEFOYIJB-CYBMUJFWSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001173210318 1286485581 /nfs/dbraw/zinc/48/55/81/1286485581.db2.gz ITGYMFZNVBEODT-OLZOCXBDSA-N 1 0 325.372 2.919 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001134249483 1286488197 /nfs/dbraw/zinc/48/81/97/1286488197.db2.gz QJXYQTMGVMWQCO-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238363 1286495944 /nfs/dbraw/zinc/49/59/44/1286495944.db2.gz QMBWHBHPICUOOT-SUMWQHHRSA-N 1 0 342.399 2.778 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173238585 1286496035 /nfs/dbraw/zinc/49/60/35/1286496035.db2.gz VVGLUOOQBSEUDY-RHSMWYFYSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC001173238569 1286496183 /nfs/dbraw/zinc/49/61/83/1286496183.db2.gz VQDJSZJYBCQEPQ-RHSMWYFYSA-N 1 0 326.400 2.789 20 5 EFBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238361 1286496361 /nfs/dbraw/zinc/49/63/61/1286496361.db2.gz QMBWHBHPICUOOT-DYVFJYSZSA-N 1 0 342.399 2.778 20 5 EFBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238140 1286496442 /nfs/dbraw/zinc/49/64/42/1286496442.db2.gz NWWNPASNVUAAMR-HOCLYGCPSA-N 1 0 348.447 2.698 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822712654 1289088697 /nfs/dbraw/zinc/08/86/97/1289088697.db2.gz ZRUIFRQPXMFDKS-GOEBONIOSA-N 1 0 333.432 2.774 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001095241643 1286734243 /nfs/dbraw/zinc/73/42/43/1286734243.db2.gz MTHBATUSIMHTLI-UHFFFAOYSA-N 1 0 348.447 2.728 20 5 EFBDRO CCC[N@H+](C)CC(=O)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001095262889 1286811216 /nfs/dbraw/zinc/81/12/16/1286811216.db2.gz QVMBRXSAQDXIGX-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO Cc1ccc(NCC2CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001095269776 1286843181 /nfs/dbraw/zinc/84/31/81/1286843181.db2.gz LHYZWLPUCCZYDG-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2CO)CC1 ZINC001174478338 1287030213 /nfs/dbraw/zinc/03/02/13/1287030213.db2.gz GYPAKTBTUUVGAF-UHFFFAOYSA-N 1 0 342.399 2.583 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000822845376 1289130362 /nfs/dbraw/zinc/13/03/62/1289130362.db2.gz NYOCCXPJKDXSBR-LBPRGKRZSA-N 1 0 329.194 2.608 20 5 EFBDRO COc1ccc(Nc2c[nH+]ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC001176363848 1287965705 /nfs/dbraw/zinc/96/57/05/1287965705.db2.gz QTLKRPWSNYQZCY-UHFFFAOYSA-N 1 0 330.344 2.579 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001176920638 1288173124 /nfs/dbraw/zinc/17/31/24/1288173124.db2.gz KCYSLKASRVCRLG-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000816667564 1288236160 /nfs/dbraw/zinc/23/61/60/1288236160.db2.gz PXVRRKWSJVOCIU-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1nsc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177108382 1288275104 /nfs/dbraw/zinc/27/51/04/1288275104.db2.gz WBJSYPOWBSMSEC-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(CF)cc1 ZINC001177169017 1288278762 /nfs/dbraw/zinc/27/87/62/1288278762.db2.gz BHNBCBYBXRILPF-UHFFFAOYSA-N 1 0 345.374 2.974 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816874160 1288308460 /nfs/dbraw/zinc/30/84/60/1288308460.db2.gz WQMGKBLBTMLGIF-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816946607 1288335869 /nfs/dbraw/zinc/33/58/69/1288335869.db2.gz QPCVTXOLNCVLAT-LBPRGKRZSA-N 1 0 339.823 2.956 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@H]1CCC[N@@H+]1C ZINC000817131891 1288432336 /nfs/dbraw/zinc/43/23/36/1288432336.db2.gz UDMLPXRYGGXXKA-SNVBAGLBSA-N 1 0 341.795 2.565 20 5 EFBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817296861 1288525769 /nfs/dbraw/zinc/52/57/69/1288525769.db2.gz LEPGESDMJLQEHF-LLVKDONJSA-N 1 0 328.796 2.922 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821545335 1288748212 /nfs/dbraw/zinc/74/82/12/1288748212.db2.gz XCFDFTGPNSGRPH-HOTGVXAUSA-N 1 0 333.432 2.935 20 5 EFBDRO CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458649 1288791600 /nfs/dbraw/zinc/79/16/00/1288791600.db2.gz PYTHVSDWZPUOHF-FZZYSBJUSA-N 1 0 325.453 2.664 20 5 EFBDRO CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178463237 1288792872 /nfs/dbraw/zinc/79/28/72/1288792872.db2.gz BIALXPBBHYERNM-QZTJIDSGSA-N 1 0 347.459 2.680 20 5 EFBDRO CC(C)(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463930 1288793352 /nfs/dbraw/zinc/79/33/52/1288793352.db2.gz OBMKGIFVHLQKON-HUUCEWRRSA-N 1 0 327.469 2.744 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822143193 1288891896 /nfs/dbraw/zinc/89/18/96/1288891896.db2.gz GTTVTKZJYZEPTO-HOTGVXAUSA-N 1 0 331.416 2.689 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000822144463 1288892122 /nfs/dbraw/zinc/89/21/22/1288892122.db2.gz WQTAOQUQDFWKQY-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903441918 1312687377 /nfs/dbraw/zinc/68/73/77/1312687377.db2.gz HEPQNDWDUIRVNU-LIXBPZJASA-N 1 0 328.368 2.912 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822452885 1288995012 /nfs/dbraw/zinc/99/50/12/1288995012.db2.gz FFKKKVHDUNUZJZ-KBRIMQKVSA-N 1 0 331.416 2.546 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822487304 1289005918 /nfs/dbraw/zinc/00/59/18/1289005918.db2.gz ORLKQKFDBOAXHK-UHFFFAOYSA-N 1 0 347.459 2.865 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C3(c4ccccc4)CC[NH2+]CC3)n2)o1 ZINC000823269583 1289256272 /nfs/dbraw/zinc/25/62/72/1289256272.db2.gz IWGVRUPMFDAQQT-UHFFFAOYSA-N 1 0 340.339 2.907 20 5 EFBDRO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001179804883 1289272978 /nfs/dbraw/zinc/27/29/78/1289272978.db2.gz APHNHTHOVBVRIS-NSHDSACASA-N 1 0 349.774 2.829 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823301123 1289273571 /nfs/dbraw/zinc/27/35/71/1289273571.db2.gz DRGMZYJLMBQEAK-UHFFFAOYSA-N 1 0 327.469 2.792 20 5 EFBDRO C[C@H]1CC[C@H](C)N1CC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803487498 1312698719 /nfs/dbraw/zinc/69/87/19/1312698719.db2.gz HFLCZGPDJIFZOY-UWVGGRQHSA-N 1 0 328.315 2.789 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823590237 1289370277 /nfs/dbraw/zinc/37/02/77/1289370277.db2.gz ASMFXPHXJQCNBL-SFHVURJKSA-N 1 0 330.384 2.813 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962007 1289491128 /nfs/dbraw/zinc/49/11/28/1289491128.db2.gz NWLPVAPHQACTGC-UHFFFAOYSA-N 1 0 337.424 2.763 20 5 EFBDRO Nc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823961883 1289491398 /nfs/dbraw/zinc/49/13/98/1289491398.db2.gz MFMLIJSCTQYWOO-ZDUSSCGKSA-N 1 0 347.419 2.517 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824003247 1289498114 /nfs/dbraw/zinc/49/81/14/1289498114.db2.gz UVCHSUUGIWSUIE-ZDUSSCGKSA-N 1 0 349.435 2.811 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000823980480 1289506176 /nfs/dbraw/zinc/50/61/76/1289506176.db2.gz NMEMARYYVJXDRI-WCQYABFASA-N 1 0 335.408 2.514 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994028 1289509325 /nfs/dbraw/zinc/50/93/25/1289509325.db2.gz NJERTCVSBISKAH-CYBMUJFWSA-N 1 0 335.408 2.563 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823999049 1289512501 /nfs/dbraw/zinc/51/25/01/1289512501.db2.gz ZUGVIOCMUNRDPD-UHFFFAOYSA-N 1 0 337.424 2.811 20 5 EFBDRO CNC(=O)c1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873009413 1289516085 /nfs/dbraw/zinc/51/60/85/1289516085.db2.gz YLCVTTBVMRMDCP-UHFFFAOYSA-N 1 0 327.384 2.861 20 5 EFBDRO CCNC(=O)c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873018783 1289523702 /nfs/dbraw/zinc/52/37/02/1289523702.db2.gz FQXBNGFJGAXRIJ-UHFFFAOYSA-N 1 0 327.384 2.943 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000873029265 1289528952 /nfs/dbraw/zinc/52/89/52/1289528952.db2.gz AAERPQDNLHSUKL-KRWDZBQOSA-N 1 0 339.395 2.794 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824115257 1289547006 /nfs/dbraw/zinc/54/70/06/1289547006.db2.gz PKEXBIWRAWEQDK-IAGOWNOFSA-N 1 0 331.416 2.643 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873070164 1289551280 /nfs/dbraw/zinc/55/12/80/1289551280.db2.gz YXHDXQAPLPPSFD-UHFFFAOYSA-N 1 0 348.424 2.738 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873116138 1289576072 /nfs/dbraw/zinc/57/60/72/1289576072.db2.gz VQVNXYZFYAOGBD-UHFFFAOYSA-N 1 0 328.372 2.855 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000873128827 1289584918 /nfs/dbraw/zinc/58/49/18/1289584918.db2.gz AQQIWLLVERCVFO-KDOFPFPSSA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000873129704 1289585645 /nfs/dbraw/zinc/58/56/45/1289585645.db2.gz QXTIBJBVRDPKEN-HOCLYGCPSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824311333 1289602049 /nfs/dbraw/zinc/60/20/49/1289602049.db2.gz CHRKATKGQRWOLM-GDBMZVCRSA-N 1 0 331.416 2.958 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccccc2C2CC2)cc1 ZINC000873192718 1289632808 /nfs/dbraw/zinc/63/28/08/1289632808.db2.gz GCEXAYKYEUBEMZ-RTBURBONSA-N 1 0 342.395 2.656 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000825668749 1289658723 /nfs/dbraw/zinc/65/87/23/1289658723.db2.gz WRSAVEXQMAYWIN-OAHLLOKOSA-N 1 0 349.431 2.667 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873320293 1289729033 /nfs/dbraw/zinc/72/90/33/1289729033.db2.gz UEFOVJOJIPEVJJ-OAHLLOKOSA-N 1 0 340.383 2.739 20 5 EFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](C)OC ZINC001181457855 1289795334 /nfs/dbraw/zinc/79/53/34/1289795334.db2.gz MAAZRKAEEAFMKJ-LLVKDONJSA-N 1 0 339.395 2.930 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000825699909 1290071590 /nfs/dbraw/zinc/07/15/90/1290071590.db2.gz KWMUBLHTQPWJMO-GFCCVEGCSA-N 1 0 337.807 2.867 20 5 EFBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000795703152 1291268791 /nfs/dbraw/zinc/26/87/91/1291268791.db2.gz MUEYLRPEOXFJJS-BBRMVZONSA-N 1 0 343.431 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000877642736 1291303643 /nfs/dbraw/zinc/30/36/43/1291303643.db2.gz SHCPOUZKMBJFRQ-HNNXBMFYSA-N 1 0 340.301 2.878 20 5 EFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877818022 1291389174 /nfs/dbraw/zinc/38/91/74/1291389174.db2.gz CJJPFQRQZKVXNO-LBPRGKRZSA-N 1 0 347.371 2.901 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000878223714 1291564863 /nfs/dbraw/zinc/56/48/63/1291564863.db2.gz RCZXKARWMOETCG-SJLPKXTDSA-N 1 0 344.415 2.688 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000878223716 1291565507 /nfs/dbraw/zinc/56/55/07/1291565507.db2.gz RCZXKARWMOETCG-WMZOPIPTSA-N 1 0 344.415 2.688 20 5 EFBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001166960650 1312872812 /nfs/dbraw/zinc/87/28/12/1312872812.db2.gz QJGZMZPNGGULJZ-LLVKDONJSA-N 1 0 347.806 2.751 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878683521 1291753220 /nfs/dbraw/zinc/75/32/20/1291753220.db2.gz ACCFPNXLSQVZOP-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000826068144 1291772910 /nfs/dbraw/zinc/77/29/10/1291772910.db2.gz DECAZNDSINQJPS-CYBMUJFWSA-N 1 0 327.812 2.873 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000826076488 1291818091 /nfs/dbraw/zinc/81/80/91/1291818091.db2.gz CJSITBSRZCAAMM-WDEREUQCSA-N 1 0 325.796 2.769 20 5 EFBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001114780653 1291925649 /nfs/dbraw/zinc/92/56/49/1291925649.db2.gz KZCJUPFGWLSHBG-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001114775784 1291931375 /nfs/dbraw/zinc/93/13/75/1291931375.db2.gz IDLGRHZJYLHDLL-SHTZXODSSA-N 1 0 348.447 2.550 20 5 EFBDRO COC(=O)Cc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796113081 1291983885 /nfs/dbraw/zinc/98/38/85/1291983885.db2.gz LDDFNUFTOHSGFW-UHFFFAOYSA-N 1 0 342.395 2.985 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529580 1292174150 /nfs/dbraw/zinc/17/41/50/1292174150.db2.gz RHBFOAYNWBMSSE-MELADBBJSA-N 1 0 345.399 2.828 20 5 EFBDRO CCOc1cc(C[N@H+](CCOC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000879710148 1292239348 /nfs/dbraw/zinc/23/93/48/1292239348.db2.gz YEEZCEXWRPNURX-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000775405718 1292273889 /nfs/dbraw/zinc/27/38/89/1292273889.db2.gz DDQIFCOYQJPDAR-ILXRZTDVSA-N 1 0 340.470 2.943 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](CF)C1 ZINC000880293542 1292440003 /nfs/dbraw/zinc/44/00/03/1292440003.db2.gz ANFFEHQPYZBITB-ZJUUUORDSA-N 1 0 329.759 2.867 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000775457158 1292546632 /nfs/dbraw/zinc/54/66/32/1292546632.db2.gz GGNOTFBCIFWOKZ-SNVBAGLBSA-N 1 0 341.795 2.591 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC001233598521 1312964282 /nfs/dbraw/zinc/96/42/82/1312964282.db2.gz BJQPCMYPTZBDST-HAQNSBGRSA-N 1 0 342.342 2.895 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2cc(Br)cc(F)c21 ZINC001233667624 1312967028 /nfs/dbraw/zinc/96/70/28/1312967028.db2.gz ITIJNZHWUPSRPF-MRVPVSSYSA-N 1 0 331.209 2.938 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3c(F)cc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001233694501 1312972761 /nfs/dbraw/zinc/97/27/61/1312972761.db2.gz GFZMCNSYPHBXLI-LBPRGKRZSA-N 1 0 342.342 2.895 20 5 EFBDRO CCCC[N@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775561127 1293137098 /nfs/dbraw/zinc/13/70/98/1293137098.db2.gz XXKIAMXUCPWGPL-UHFFFAOYSA-N 1 0 343.811 2.671 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c(F)c1F ZINC001233765408 1312986745 /nfs/dbraw/zinc/98/67/45/1312986745.db2.gz VEAAKHDSLVUNDM-HAQNSBGRSA-N 1 0 342.342 2.895 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])c(F)c3F)O2)CC1 ZINC001233764662 1312986962 /nfs/dbraw/zinc/98/69/62/1312986962.db2.gz KXZYRQCUYKHVOV-NSHDSACASA-N 1 0 342.342 2.895 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882651120 1293278482 /nfs/dbraw/zinc/27/84/82/1293278482.db2.gz AZQLUABIFDWZDY-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO Cc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000882727271 1293299058 /nfs/dbraw/zinc/29/90/58/1293299058.db2.gz QNKYEVLZSQOHTF-ZDUSSCGKSA-N 1 0 325.434 2.702 20 5 EFBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000883451477 1293598476 /nfs/dbraw/zinc/59/84/76/1293598476.db2.gz PYWNADRSUGWGKW-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000883455867 1293599594 /nfs/dbraw/zinc/59/95/94/1293599594.db2.gz MLSRFRBBXXRVDO-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233902181 1313014838 /nfs/dbraw/zinc/01/48/38/1313014838.db2.gz QHKUWFCGHNMNOQ-SNVBAGLBSA-N 1 0 332.316 2.524 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132118892 1293628114 /nfs/dbraw/zinc/62/81/14/1293628114.db2.gz TURXMUNOYZBNAA-IBGZPJMESA-N 1 0 342.395 2.917 20 5 EFBDRO CCOC(=O)c1cnc(C(F)(F)F)cc1O[C@H](C)C[N+](C)(C)C ZINC001233940070 1313022266 /nfs/dbraw/zinc/02/22/66/1313022266.db2.gz ZWGMZMZCYTVQMR-SNVBAGLBSA-N 1 0 335.346 2.751 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000800190883 1293949914 /nfs/dbraw/zinc/94/99/14/1293949914.db2.gz PQJOZSNRWKIIJU-UHFFFAOYSA-N 1 0 333.388 2.894 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000884061369 1293951466 /nfs/dbraw/zinc/95/14/66/1293951466.db2.gz GEIMRYWNFQSJRP-CYBMUJFWSA-N 1 0 336.461 2.982 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000800218142 1293962033 /nfs/dbraw/zinc/96/20/33/1293962033.db2.gz LEAZTWALQZNSPG-UHFFFAOYSA-N 1 0 346.387 2.669 20 5 EFBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001234067539 1313051358 /nfs/dbraw/zinc/05/13/58/1313051358.db2.gz GQKXNGUQNTVOJU-UHFFFAOYSA-N 1 0 342.399 2.550 20 5 EFBDRO O=C(CCC(F)F)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001196539440 1294282010 /nfs/dbraw/zinc/28/20/10/1294282010.db2.gz LBZAPNHNLZTYEL-UHFFFAOYSA-N 1 0 341.358 2.674 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796382172 1294606340 /nfs/dbraw/zinc/60/63/40/1294606340.db2.gz WVTKPOHDMSPENV-UHFFFAOYSA-N 1 0 336.392 2.811 20 5 EFBDRO COc1ccccc1OCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136979663 1294695490 /nfs/dbraw/zinc/69/54/90/1294695490.db2.gz LZFDPNVVXFVGEF-INIZCTEOSA-N 1 0 346.383 2.648 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000886202749 1294761072 /nfs/dbraw/zinc/76/10/72/1294761072.db2.gz CZYKICGTJMBYRJ-KURKYZTESA-N 1 0 339.395 2.994 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)o1 ZINC000886229339 1294776474 /nfs/dbraw/zinc/77/64/74/1294776474.db2.gz OFIWIKVRDPXOLK-ZIAGYGMSSA-N 1 0 346.383 2.874 20 5 EFBDRO CCCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000903716830 1313110586 /nfs/dbraw/zinc/11/05/86/1313110586.db2.gz UKQPCWDASCUFRE-LLVKDONJSA-N 1 0 342.237 2.931 20 5 EFBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000886435869 1294967169 /nfs/dbraw/zinc/96/71/69/1294967169.db2.gz KVEWZCHSTZZWRP-QZTJIDSGSA-N 1 0 330.384 2.602 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000886590744 1295037485 /nfs/dbraw/zinc/03/74/85/1295037485.db2.gz CQRBZHWZOLTPAD-AWEZNQCLSA-N 1 0 344.415 2.878 20 5 EFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000886595102 1295040861 /nfs/dbraw/zinc/04/08/61/1295040861.db2.gz AVNWWQPBMCSLSY-KRWDZBQOSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000886602132 1295047772 /nfs/dbraw/zinc/04/77/72/1295047772.db2.gz KJDHNGWTLDDSEG-SQNIBIBYSA-N 1 0 345.443 2.887 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000886837685 1295175082 /nfs/dbraw/zinc/17/50/82/1295175082.db2.gz MEIQRYJXXKKLFN-HNNXBMFYSA-N 1 0 332.791 2.790 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])c1C ZINC000886921795 1295215966 /nfs/dbraw/zinc/21/59/66/1295215966.db2.gz CHCFZBZQWDLAPG-CQSZACIVSA-N 1 0 325.368 2.742 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886935683 1295220774 /nfs/dbraw/zinc/22/07/74/1295220774.db2.gz SXUCLNRHGNFRDB-NSHDSACASA-N 1 0 342.346 2.578 20 5 EFBDRO CCOC(=O)C[C@@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000775892065 1295260799 /nfs/dbraw/zinc/26/07/99/1295260799.db2.gz QFNJPXHIFJACDD-NVXWUHKLSA-N 1 0 338.404 2.586 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134281 1295288334 /nfs/dbraw/zinc/28/83/34/1295288334.db2.gz GTCKZGJLZFPEPK-AWEZNQCLSA-N 1 0 342.399 2.709 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3)cc2CO)CC1 ZINC001204456453 1313143314 /nfs/dbraw/zinc/14/33/14/1313143314.db2.gz NEYYQMPHXWWSJX-UHFFFAOYSA-N 1 0 342.399 2.583 20 5 EFBDRO CCCSCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234521466 1313144507 /nfs/dbraw/zinc/14/45/07/1313144507.db2.gz SCWUQOPCLGIYKU-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO C/C(=C/C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001234541062 1313151013 /nfs/dbraw/zinc/15/10/13/1313151013.db2.gz WYJLXXNRFZMWAS-OWBHPGMISA-N 1 0 331.416 2.889 20 5 EFBDRO O=C(CC(C1CC1)C1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152547017 1295416234 /nfs/dbraw/zinc/41/62/34/1295416234.db2.gz FFPBSWCNAJVICP-UHFFFAOYSA-N 1 0 331.416 2.627 20 5 EFBDRO O=C(CC(C1CC1)C1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001152547135 1295431761 /nfs/dbraw/zinc/43/17/61/1295431761.db2.gz JHNLMDQPYQFHRV-UHFFFAOYSA-N 1 0 331.416 2.627 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903752951 1313164856 /nfs/dbraw/zinc/16/48/56/1313164856.db2.gz QLZQZZSMNCDDNX-ZDUSSCGKSA-N 1 0 342.237 2.835 20 5 EFBDRO CS[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000776001267 1295647631 /nfs/dbraw/zinc/64/76/31/1295647631.db2.gz NZLUFGPOVYEVCX-KBPBESRZSA-N 1 0 329.853 2.726 20 5 EFBDRO COCC[N@H+]1[C@H](C)CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000826633222 1295730754 /nfs/dbraw/zinc/73/07/54/1295730754.db2.gz QIULHQNDLFANDS-OKILXGFUSA-N 1 0 344.415 2.688 20 5 EFBDRO Nc1cn(-c2cc(O)cc([N+](=O)[O-])c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001199819499 1295740677 /nfs/dbraw/zinc/74/06/77/1295740677.db2.gz UXGLXUJBFJKMFQ-UHFFFAOYSA-N 1 0 340.314 2.959 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000889621140 1295784017 /nfs/dbraw/zinc/78/40/17/1295784017.db2.gz ACKFASMHSMLTJO-GJZGRUSLSA-N 1 0 331.416 2.768 20 5 EFBDRO C[NH+]1CCC(Oc2cc(O)cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234745600 1313188069 /nfs/dbraw/zinc/18/80/69/1313188069.db2.gz VMUJKWZEBYXTOV-UHFFFAOYSA-N 1 0 341.363 2.830 20 5 EFBDRO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745536 1313188109 /nfs/dbraw/zinc/18/81/09/1313188109.db2.gz UGIASELTWDEDOU-JTQLQIEISA-N 1 0 329.352 2.686 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cc(Br)cc1[N+](=O)[O-] ZINC001234876733 1313201711 /nfs/dbraw/zinc/20/17/11/1313201711.db2.gz JNMKRUAFFAUCMU-QMMMGPOBSA-O 1 0 334.190 2.536 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234877112 1313201790 /nfs/dbraw/zinc/20/17/90/1313201790.db2.gz LDFFUGBDXLTENT-JTQLQIEISA-N 1 0 345.193 2.926 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234875248 1313201821 /nfs/dbraw/zinc/20/18/21/1313201821.db2.gz FPTANNZUONGDEU-GFCCVEGCSA-N 1 0 343.177 2.536 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903782232 1313203332 /nfs/dbraw/zinc/20/33/32/1313203332.db2.gz HSXXZTJIXZFSFS-VXGBXAGGSA-N 1 0 328.210 2.573 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000903792909 1313222987 /nfs/dbraw/zinc/22/29/87/1313222987.db2.gz JMXFNYWPUYLUJT-UHFFFAOYSA-N 1 0 341.411 2.793 20 5 EFBDRO C[NH+]1CCN(c2cccc(Nc3cc(O)cc([N+](=O)[O-])c3)c2)CC1 ZINC001201221781 1296668849 /nfs/dbraw/zinc/66/88/49/1296668849.db2.gz HECXKDNGXORKMR-UHFFFAOYSA-N 1 0 328.372 2.796 20 5 EFBDRO Cc1ncc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001235275221 1313280422 /nfs/dbraw/zinc/28/04/22/1313280422.db2.gz CWJRHRKSVRITLS-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000776154931 1296720411 /nfs/dbraw/zinc/72/04/11/1296720411.db2.gz CRZGCGWFJBUITD-YESZJQIVSA-N 1 0 334.416 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000776158021 1296752848 /nfs/dbraw/zinc/75/28/48/1296752848.db2.gz ROXJQOAFNSLDSE-YLFCFFPRSA-N 1 0 332.400 2.566 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235250 1296812462 /nfs/dbraw/zinc/81/24/62/1296812462.db2.gz FMKIKHYEMBQGEU-FRFSOERESA-N 1 0 346.431 2.782 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CCF)CC1 ZINC001201775379 1297070828 /nfs/dbraw/zinc/07/08/28/1297070828.db2.gz QTXXVVZSAHSODY-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000929095639 1297157748 /nfs/dbraw/zinc/15/77/48/1297157748.db2.gz YVRZKMQIZMXSDQ-UHFFFAOYSA-N 1 0 348.403 2.742 20 5 EFBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000929913499 1297215200 /nfs/dbraw/zinc/21/52/00/1297215200.db2.gz NCIDAUKUIMXZFM-MSOLQXFVSA-N 1 0 343.427 2.785 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776271269 1297331767 /nfs/dbraw/zinc/33/17/67/1297331767.db2.gz JPWPDYHRDXXDHG-QZTJIDSGSA-N 1 0 329.400 2.521 20 5 EFBDRO C[N@H+](CCOc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273404 1297336015 /nfs/dbraw/zinc/33/60/15/1297336015.db2.gz AZPKWNFMYMGOPG-MRXNPFEDSA-N 1 0 334.347 2.778 20 5 EFBDRO CCOC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274969 1297337806 /nfs/dbraw/zinc/33/78/06/1297337806.db2.gz DZWNLGURDDVTFD-QGZVFWFLSA-N 1 0 344.367 2.595 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935553598 1297642204 /nfs/dbraw/zinc/64/22/04/1297642204.db2.gz PIUPNGYEFHKXFI-CVEARBPZSA-N 1 0 331.416 2.641 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000108496659 1298688991 /nfs/dbraw/zinc/68/89/91/1298688991.db2.gz VUJUCTHNBPBYBK-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000108496655 1298690125 /nfs/dbraw/zinc/69/01/25/1298690125.db2.gz VUJUCTHNBPBYBK-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779868478 1298980931 /nfs/dbraw/zinc/98/09/31/1298980931.db2.gz SSRZHMTUAJSJMF-LSDHHAIUSA-N 1 0 343.431 2.652 20 5 EFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000851885859 1299450035 /nfs/dbraw/zinc/45/00/35/1299450035.db2.gz MRJCZAUYRYVZJP-RDJZCZTQSA-N 1 0 348.378 2.556 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000776592337 1299681295 /nfs/dbraw/zinc/68/12/95/1299681295.db2.gz LKWHGIAINOKZKD-GOSISDBHSA-N 1 0 342.395 2.924 20 5 EFBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000852443018 1299705523 /nfs/dbraw/zinc/70/55/23/1299705523.db2.gz HZSNKNNYDUTDET-ROUUACIJSA-N 1 0 346.383 2.614 20 5 EFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606386 1299751808 /nfs/dbraw/zinc/75/18/08/1299751808.db2.gz WMNLOSVPBPOJKO-SFHVURJKSA-N 1 0 344.411 2.901 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000776605819 1299794139 /nfs/dbraw/zinc/79/41/39/1299794139.db2.gz OPIYATLBOOBAAK-ZWKOTPCHSA-N 1 0 330.384 2.732 20 5 EFBDRO COc1ccc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000776605497 1299795313 /nfs/dbraw/zinc/79/53/13/1299795313.db2.gz LNOLCEHBFCFFKR-KRWDZBQOSA-N 1 0 328.368 2.916 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853134384 1300020428 /nfs/dbraw/zinc/02/04/28/1300020428.db2.gz RGEQUCKOVMVHPZ-CQSZACIVSA-N 1 0 341.289 2.832 20 5 EFBDRO C[N@H+](C[C@H]1CC1(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853627417 1300198708 /nfs/dbraw/zinc/19/87/08/1300198708.db2.gz BTNCYEXNOJYHBY-CYBMUJFWSA-N 1 0 332.404 2.772 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2nonc21 ZINC000853999605 1300383712 /nfs/dbraw/zinc/38/37/12/1300383712.db2.gz MQTZPEIZMSBRPC-LBPRGKRZSA-N 1 0 331.376 2.665 20 5 EFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2 ZINC000854676777 1300661522 /nfs/dbraw/zinc/66/15/22/1300661522.db2.gz BONJHVYWGMEBCV-UHFFFAOYSA-N 1 0 339.480 2.935 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000854736482 1300681586 /nfs/dbraw/zinc/68/15/86/1300681586.db2.gz GLLGXQDTJNLSRE-KRZKXXONSA-N 1 0 329.400 2.552 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855287095 1300889674 /nfs/dbraw/zinc/88/96/74/1300889674.db2.gz IDAQENGAQSUZNL-JTQLQIEISA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2)C1CC1 ZINC000963457526 1300895019 /nfs/dbraw/zinc/89/50/19/1300895019.db2.gz VYAICHZFWGYNIH-UHFFFAOYSA-N 1 0 329.400 2.522 20 5 EFBDRO O=C(CC1CC1)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000963483223 1300937050 /nfs/dbraw/zinc/93/70/50/1300937050.db2.gz DJWMGONHYRQKEM-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855732041 1301083649 /nfs/dbraw/zinc/08/36/49/1301083649.db2.gz IRYVOLRIVSTDNO-KRWDZBQOSA-N 1 0 347.459 2.597 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000855810403 1301128318 /nfs/dbraw/zinc/12/83/18/1301128318.db2.gz YFHBAMLGEVHKEK-CYBMUJFWSA-N 1 0 346.431 2.622 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855904080 1301165665 /nfs/dbraw/zinc/16/56/65/1301165665.db2.gz XURHIZHULUEABX-SBJJXXPASA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855904079 1301165774 /nfs/dbraw/zinc/16/57/74/1301165774.db2.gz XURHIZHULUEABX-PXTSUWAFSA-N 1 0 331.416 2.845 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855904078 1301166415 /nfs/dbraw/zinc/16/64/15/1301166415.db2.gz XURHIZHULUEABX-KKTNHOPESA-N 1 0 331.416 2.845 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859583732 1301499523 /nfs/dbraw/zinc/49/95/23/1301499523.db2.gz GONURZGGNMGZIS-IBGZPJMESA-N 1 0 342.395 2.957 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859900617 1301628614 /nfs/dbraw/zinc/62/86/14/1301628614.db2.gz DFCWRLJUTTWGOG-QWRGUYRKSA-N 1 0 325.796 2.851 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000862790803 1302461043 /nfs/dbraw/zinc/46/10/43/1302461043.db2.gz VYAVSDDLQIOHDJ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794601298 1302835868 /nfs/dbraw/zinc/83/58/68/1302835868.db2.gz DLFGYFMUPOQTSZ-CEXWTWQISA-N 1 0 344.411 2.976 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000794652945 1302902747 /nfs/dbraw/zinc/90/27/47/1302902747.db2.gz BKTYJQVIDXDDHJ-QGZVFWFLSA-N 1 0 330.388 2.917 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864987360 1303112870 /nfs/dbraw/zinc/11/28/70/1303112870.db2.gz LQFPWBDDVFFQHR-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000865030151 1303127884 /nfs/dbraw/zinc/12/78/84/1303127884.db2.gz YUYGGALKRMIMFY-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO C[NH+](C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccccc1 ZINC000865403411 1303238319 /nfs/dbraw/zinc/23/83/19/1303238319.db2.gz DUYAPDKAJFMREI-QGZVFWFLSA-N 1 0 333.363 2.941 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865462664 1303268801 /nfs/dbraw/zinc/26/88/01/1303268801.db2.gz OWWZFCVXOSIUEC-NWDGAFQWSA-N 1 0 325.384 2.759 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865480492 1303279116 /nfs/dbraw/zinc/27/91/16/1303279116.db2.gz NRVJLUYUMIOTOE-LBPRGKRZSA-N 1 0 325.384 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000865549503 1303307111 /nfs/dbraw/zinc/30/71/11/1303307111.db2.gz SWTNCQAYPYUPJT-CQSZACIVSA-N 1 0 337.395 2.681 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC[N@@H+](C3CCCC3)CC2)cc1F ZINC000865549986 1303307132 /nfs/dbraw/zinc/30/71/32/1303307132.db2.gz WBEXTPNIINSLMD-UHFFFAOYSA-N 1 0 337.395 2.681 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001097205669 1313907450 /nfs/dbraw/zinc/90/74/50/1313907450.db2.gz KLPWGULJPKTDJN-GASCZTMLSA-N 1 0 348.447 2.694 20 5 EFBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865812525 1303413909 /nfs/dbraw/zinc/41/39/09/1303413909.db2.gz UEDOQOBEXARDBM-UHFFFAOYSA-N 1 0 330.379 2.828 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866115087 1303531324 /nfs/dbraw/zinc/53/13/24/1303531324.db2.gz OLNMUPQOYKBQHO-AWEZNQCLSA-N 1 0 337.395 2.609 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000866312250 1303599497 /nfs/dbraw/zinc/59/94/97/1303599497.db2.gz ZSTOXDQUXWONNH-BBRMVZONSA-N 1 0 344.390 2.928 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000866312273 1303599670 /nfs/dbraw/zinc/59/96/70/1303599670.db2.gz RUFWGQBAMVATHF-SWLSCSKDSA-N 1 0 338.379 2.940 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121229053 1303790576 /nfs/dbraw/zinc/79/05/76/1303790576.db2.gz AGPZUCIHXHSTDG-OAHLLOKOSA-N 1 0 345.447 2.874 20 5 EFBDRO C[C@@H](Cc1ccsc1)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948257 1304036748 /nfs/dbraw/zinc/03/67/48/1304036748.db2.gz QYOKPRJWHIGGPC-MEDUHNTESA-N 1 0 333.413 2.578 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948421 1304037306 /nfs/dbraw/zinc/03/73/06/1304037306.db2.gz VSKFTCVCDANSAG-SJLPKXTDSA-N 1 0 343.358 2.712 20 5 EFBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867957314 1304044597 /nfs/dbraw/zinc/04/45/97/1304044597.db2.gz IWWGJMOGIVDVIC-UGSOOPFHSA-N 1 0 327.384 2.689 20 5 EFBDRO C[C@H]1CN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000867957453 1304044725 /nfs/dbraw/zinc/04/47/25/1304044725.db2.gz NBFFBVMDQZRWFN-DJJJIMSYSA-N 1 0 339.395 2.915 20 5 EFBDRO Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867981166 1304055938 /nfs/dbraw/zinc/05/59/38/1304055938.db2.gz IUOIXDKDPVEMTG-SCTDSRPQSA-N 1 0 339.395 2.749 20 5 EFBDRO Cc1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1C ZINC000867985155 1304059261 /nfs/dbraw/zinc/05/92/61/1304059261.db2.gz UZGDYPYJYCQGEC-LJQANCHMSA-N 1 0 341.411 2.744 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868132037 1304145495 /nfs/dbraw/zinc/14/54/95/1304145495.db2.gz DYHPCQUIQKDIFU-BTTYYORXSA-N 1 0 332.404 2.864 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868147873 1304154247 /nfs/dbraw/zinc/15/42/47/1304154247.db2.gz WVAADJXNNOYIQE-BTTYYORXSA-N 1 0 332.404 2.864 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000869193516 1304653561 /nfs/dbraw/zinc/65/35/61/1304653561.db2.gz SSAOLMMNVAHBOA-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000869266951 1304687826 /nfs/dbraw/zinc/68/78/26/1304687826.db2.gz GQOPKORPCLXFEV-CQSZACIVSA-N 1 0 349.406 2.800 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000869801593 1304977264 /nfs/dbraw/zinc/97/72/64/1304977264.db2.gz JTYKXTCEHQNTHV-DOTOQJQBSA-N 1 0 347.459 2.706 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000870953943 1305707586 /nfs/dbraw/zinc/70/75/86/1305707586.db2.gz UILZZIBTAOEZFV-UHFFFAOYSA-N 1 0 337.395 2.974 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000870958634 1305709976 /nfs/dbraw/zinc/70/99/76/1305709976.db2.gz GMJZUMQYSZDEFT-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000870959326 1305711835 /nfs/dbraw/zinc/71/18/35/1305711835.db2.gz CMYAUDKRHYFSDB-UHFFFAOYSA-N 1 0 349.431 2.600 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1 ZINC000748807393 1314133765 /nfs/dbraw/zinc/13/37/65/1314133765.db2.gz YKFHOXRAEMNKKD-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO O=C(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccn1 ZINC000748819827 1314137239 /nfs/dbraw/zinc/13/72/39/1314137239.db2.gz OPYAJKWFCLTRHU-UHFFFAOYSA-N 1 0 334.763 2.762 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218033914 1315137064 /nfs/dbraw/zinc/13/70/64/1315137064.db2.gz JBJNGJFBCCAXMS-PRHODGIISA-N 1 0 341.205 2.833 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218071410 1315143005 /nfs/dbraw/zinc/14/30/05/1315143005.db2.gz PJYDUJACJAAWPU-GXSJLCMTSA-N 1 0 333.157 2.745 20 5 EFBDRO Cc1cc(O[C@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218239691 1315169683 /nfs/dbraw/zinc/16/96/83/1315169683.db2.gz IHWYRDLLFOWMRY-LBPRGKRZSA-N 1 0 327.178 2.797 20 5 EFBDRO CC1(NC(=O)C2CCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045342137 1307257512 /nfs/dbraw/zinc/25/75/12/1307257512.db2.gz CCXPXHUKKSOTNX-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC1(NC(=O)C2CCC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045343297 1307258709 /nfs/dbraw/zinc/25/87/09/1307258709.db2.gz GKFZZCNCCBSORG-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCCCCC2)CC1 ZINC001045437300 1307337307 /nfs/dbraw/zinc/33/73/07/1307337307.db2.gz MELWQKUDWNBRSZ-HZPDHXFCSA-N 1 0 337.464 2.593 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900010385 1307596174 /nfs/dbraw/zinc/59/61/74/1307596174.db2.gz YGLNFOURPXCWLV-UHFFFAOYSA-N 1 0 343.786 2.801 20 5 EFBDRO C[NH2+][C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000900020373 1307605947 /nfs/dbraw/zinc/60/59/47/1307605947.db2.gz MZJMZFAJQWCTSF-GFCCVEGCSA-N 1 0 343.412 2.842 20 5 EFBDRO C[NH2+][C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000900020375 1307606028 /nfs/dbraw/zinc/60/60/28/1307606028.db2.gz MZJMZFAJQWCTSF-LBPRGKRZSA-N 1 0 343.412 2.842 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900207350 1307776122 /nfs/dbraw/zinc/77/61/22/1307776122.db2.gz VVRNEEKKMLGKTK-UHFFFAOYSA-N 1 0 329.759 2.603 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900429524 1308156116 /nfs/dbraw/zinc/15/61/16/1308156116.db2.gz MWSXLPHRWRQSBS-SNVBAGLBSA-N 1 0 343.786 2.849 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900564392 1308322833 /nfs/dbraw/zinc/32/28/33/1308322833.db2.gz VIVZEKFINYYSDE-LLVKDONJSA-N 1 0 343.786 2.944 20 5 EFBDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC001209935301 1314261214 /nfs/dbraw/zinc/26/12/14/1314261214.db2.gz LWKAEMSZYOXEBK-UHFFFAOYSA-N 1 0 341.415 2.668 20 5 EFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209934932 1314261368 /nfs/dbraw/zinc/26/13/68/1314261368.db2.gz IYBVHJKJSPMFED-UHFFFAOYSA-N 1 0 341.415 2.981 20 5 EFBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209938163 1314261949 /nfs/dbraw/zinc/26/19/49/1314261949.db2.gz GXASIJBPRKOSMM-UHFFFAOYSA-N 1 0 345.378 2.812 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000900998271 1309145002 /nfs/dbraw/zinc/14/50/02/1309145002.db2.gz YKITZAWDPMBBCF-SCZZXKLOSA-N 1 0 341.770 2.742 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3cccc([N+](=O)[O-])c3F)c2)CC1 ZINC001210381289 1314324095 /nfs/dbraw/zinc/32/40/95/1314324095.db2.gz KWHLGDMQORUYMO-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000749102481 1314334202 /nfs/dbraw/zinc/33/42/02/1314334202.db2.gz PEKWQHURICAOGD-UHFFFAOYSA-N 1 0 343.362 2.926 20 5 EFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801544184 1310493057 /nfs/dbraw/zinc/49/30/57/1310493057.db2.gz BZCNICIKOLSGQS-LLVKDONJSA-N 1 0 339.367 2.690 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000801556243 1310519677 /nfs/dbraw/zinc/51/96/77/1310519677.db2.gz YLEYPJFHXHEXGD-MRXNPFEDSA-N 1 0 331.347 2.782 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCC[NH+]1CCCC1 ZINC000801563021 1310529834 /nfs/dbraw/zinc/52/98/34/1310529834.db2.gz KFPGSVPUFJTLEU-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO COC(=O)Cc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602126 1310582521 /nfs/dbraw/zinc/58/25/21/1310582521.db2.gz WRWQMZRUGLJQSN-UHFFFAOYSA-N 1 0 342.395 2.985 20 5 EFBDRO COc1ccc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749688286 1311037740 /nfs/dbraw/zinc/03/77/40/1311037740.db2.gz KTPPQUARPYAMQV-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO O=C(CC1CC1)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222214217 1311099732 /nfs/dbraw/zinc/09/97/32/1311099732.db2.gz QDQBZMZJQDPPHU-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO CC(C)(F)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222252674 1311105680 /nfs/dbraw/zinc/10/56/80/1311105680.db2.gz NVTKZCVFOCTSER-UHFFFAOYSA-N 1 0 337.395 2.671 20 5 EFBDRO CC(C)=CC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222302576 1311112534 /nfs/dbraw/zinc/11/25/34/1311112534.db2.gz GNQJLKZHWQIUMH-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000753092432 1311164273 /nfs/dbraw/zinc/16/42/73/1311164273.db2.gz BLTVLZCFZXUMBR-AWEZNQCLSA-N 1 0 335.379 2.743 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000753092439 1311164330 /nfs/dbraw/zinc/16/43/30/1311164330.db2.gz BLTVLZCFZXUMBR-CQSZACIVSA-N 1 0 335.379 2.743 20 5 EFBDRO C/C=C(/C)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222755848 1311180240 /nfs/dbraw/zinc/18/02/40/1311180240.db2.gz CFQOFNQBOSXXCX-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223221485 1311231743 /nfs/dbraw/zinc/23/17/43/1311231743.db2.gz CWHHKWZNNRTAAP-CWLKWCNXSA-N 1 0 348.399 2.587 20 5 EFBDRO CC1(C(=O)NCC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001223265954 1311234687 /nfs/dbraw/zinc/23/46/87/1311234687.db2.gz MGXVNBBSOYFZDZ-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO COC(=O)c1ccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223413421 1311258107 /nfs/dbraw/zinc/25/81/07/1311258107.db2.gz LVVVYAXKCODYEL-FICVDOATSA-N 1 0 334.372 2.523 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001223450849 1311262612 /nfs/dbraw/zinc/26/26/12/1311262612.db2.gz SKFAJFXHTDTMGZ-NHAGDIPZSA-N 1 0 334.372 2.523 20 5 EFBDRO COCCC[NH+]1CCC(OCc2ncc(C)c([N+](=O)[O-])c2C)CC1 ZINC001224181458 1311357056 /nfs/dbraw/zinc/35/70/56/1311357056.db2.gz FTZNOYRCASPDAV-UHFFFAOYSA-N 1 0 337.420 2.624 20 5 EFBDRO Cc1cnc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC001224181555 1311357182 /nfs/dbraw/zinc/35/71/82/1311357182.db2.gz NKXLLCIJXYONSM-IYBDPMFKSA-N 1 0 349.431 2.767 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158729718 1311375871 /nfs/dbraw/zinc/37/58/71/1311375871.db2.gz KZRIDWJSQFELOH-CYBMUJFWSA-N 1 0 343.387 2.942 20 5 EFBDRO CSc1nc(Cl)nc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001158760574 1311381936 /nfs/dbraw/zinc/38/19/36/1311381936.db2.gz CYWFOZBYADRTBP-UHFFFAOYSA-N 1 0 333.845 2.902 20 5 EFBDRO C[NH+]1CCC(COC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001224454997 1311393163 /nfs/dbraw/zinc/39/31/63/1311393163.db2.gz SLSGREMQQIKGKU-UHFFFAOYSA-N 1 0 333.432 2.922 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC(OCCC[N+](C)(C)C)C2)C1 ZINC001224618434 1311414043 /nfs/dbraw/zinc/41/40/43/1311414043.db2.gz HDTGRHHYTVSLOQ-UHFFFAOYSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](OCCC[N+](C)(C)C)CC1 ZINC001224619783 1311414137 /nfs/dbraw/zinc/41/41/37/1311414137.db2.gz QPJMIUHUMCJVCE-CABCVRRESA-N 1 0 333.468 2.837 20 5 EFBDRO C[N+](C)(C)CCCOC[C@@H]1COc2cc(Br)ccc2O1 ZINC001224621404 1311414672 /nfs/dbraw/zinc/41/46/72/1311414672.db2.gz SZRNUHUYYSGKKT-CYBMUJFWSA-N 1 0 345.257 2.702 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001224707809 1311425727 /nfs/dbraw/zinc/42/57/27/1311425727.db2.gz TVHVDKFPAAJCEW-KGLIPLIRSA-N 1 0 337.395 2.814 20 5 EFBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001158996897 1311431405 /nfs/dbraw/zinc/43/14/05/1311431405.db2.gz UORCVVQYPGRUHZ-UHFFFAOYSA-N 1 0 329.400 2.643 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2OCC[N+](C)(C)C)C1 ZINC001224770835 1311432544 /nfs/dbraw/zinc/43/25/44/1311432544.db2.gz CMZKJXKIFBKREO-YJBOKZPZSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(OCC[N+](C)(C)C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001224772558 1311433317 /nfs/dbraw/zinc/43/33/17/1311433317.db2.gz AIAJHLKBXQZIOT-QGZVFWFLSA-N 1 0 332.420 2.598 20 5 EFBDRO C[N@@H+]1CCC[C@H]1COC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001224831358 1311440402 /nfs/dbraw/zinc/44/04/02/1311440402.db2.gz RJXRBKZVLPEFHJ-ZDUSSCGKSA-N 1 0 337.395 2.814 20 5 EFBDRO Cc1cc(N2CCC3(C[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159050174 1311441555 /nfs/dbraw/zinc/44/15/55/1311441555.db2.gz VBOSXSZWGKUXTQ-UHFFFAOYSA-N 1 0 339.399 2.550 20 5 EFBDRO C[NH+](C)[C@H]1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224990356 1311460816 /nfs/dbraw/zinc/46/08/16/1311460816.db2.gz XDUQBRBIWIITKU-KOMQPUFPSA-N 1 0 336.388 2.527 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224990263 1311460854 /nfs/dbraw/zinc/46/08/54/1311460854.db2.gz WCWDYQREZDSTED-INIZCTEOSA-N 1 0 336.388 2.527 20 5 EFBDRO C[NH+](C)CCCCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001224990906 1311461011 /nfs/dbraw/zinc/46/10/11/1311461011.db2.gz IOLUXCJRGJIAFN-ZDUSSCGKSA-N 1 0 325.384 2.671 20 5 EFBDRO CSCC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159168316 1311465372 /nfs/dbraw/zinc/46/53/72/1311465372.db2.gz NIFHTLCBAZDWBW-UHFFFAOYSA-N 1 0 349.456 2.596 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159295762 1311488688 /nfs/dbraw/zinc/48/86/88/1311488688.db2.gz ODIDSXISCXHOKK-UHFFFAOYSA-N 1 0 343.387 2.815 20 5 EFBDRO CC(C)C(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159306980 1311491022 /nfs/dbraw/zinc/49/10/22/1311491022.db2.gz XZEXACUHEBKZDX-UHFFFAOYSA-N 1 0 331.416 2.889 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Cc1ccccc1 ZINC001225220679 1311491372 /nfs/dbraw/zinc/49/13/72/1311491372.db2.gz BQMULNVJVJZENK-GOSISDBHSA-N 1 0 328.432 2.640 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001159397186 1311508759 /nfs/dbraw/zinc/50/87/59/1311508759.db2.gz IBWCPODIXYNEQE-UHFFFAOYSA-N 1 0 342.827 2.945 20 5 EFBDRO C[C@H](Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159501076 1311528516 /nfs/dbraw/zinc/52/85/16/1311528516.db2.gz YESHNSCFFFWBAS-CABZTGNLSA-N 1 0 336.779 2.585 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001225594193 1311549947 /nfs/dbraw/zinc/54/99/47/1311549947.db2.gz IBCUKVLFDDEMKZ-JJLQDPRZSA-N 1 0 335.360 2.921 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@H]1CN2CCC1CC2 ZINC001225606312 1311552454 /nfs/dbraw/zinc/55/24/54/1311552454.db2.gz MDWKPQOXDXBPFC-LBPRGKRZSA-N 1 0 327.178 2.830 20 5 EFBDRO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225630087 1311556471 /nfs/dbraw/zinc/55/64/71/1311556471.db2.gz VRMWHTZWVQOAAX-YOEHRIQHSA-N 1 0 343.383 2.658 20 5 EFBDRO CC(C)(C)N1CC(Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225746245 1311571781 /nfs/dbraw/zinc/57/17/81/1311571781.db2.gz FWLWUKGMGSOZFX-UHFFFAOYSA-N 1 0 330.182 2.614 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225748549 1311572451 /nfs/dbraw/zinc/57/24/51/1311572451.db2.gz UOXGAUQUKIUZNE-SECBINFHSA-N 1 0 332.198 2.861 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001225792484 1311576618 /nfs/dbraw/zinc/57/66/18/1311576618.db2.gz MERNHXKAHGXVIY-SNVBAGLBSA-N 1 0 338.371 2.661 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(C(C)=O)ccc2[N+](=O)[O-])CC1 ZINC001225807862 1311577803 /nfs/dbraw/zinc/57/78/03/1311577803.db2.gz ZQUHXGPPTDHKGB-UHFFFAOYSA-N 1 0 336.388 2.677 20 5 EFBDRO CC(C)c1nocc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001159784438 1311583890 /nfs/dbraw/zinc/58/38/90/1311583890.db2.gz HNCXAQVGCOVYRO-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[NH+](C)C1CCC(Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225888827 1311586799 /nfs/dbraw/zinc/58/67/99/1311586799.db2.gz HETNCNSBBGHKPB-UHFFFAOYSA-N 1 0 327.312 2.894 20 5 EFBDRO CN1CCO[C@H](COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973358 1311596364 /nfs/dbraw/zinc/59/63/64/1311596364.db2.gz QHMGXNDTNJFISO-SFHVURJKSA-N 1 0 328.368 2.971 20 5 EFBDRO COc1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159857886 1311597944 /nfs/dbraw/zinc/59/79/44/1311597944.db2.gz DSXGOLUGDQMWJA-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ncc(F)cc3[N+](=O)[O-])c2C1 ZINC001159947896 1311615082 /nfs/dbraw/zinc/61/50/82/1311615082.db2.gz QHYHBXSSQIULNW-NSHDSACASA-N 1 0 326.331 2.889 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001159957681 1311617194 /nfs/dbraw/zinc/61/71/94/1311617194.db2.gz ZXNXSSNNSNBMLN-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO COc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001160005160 1311627186 /nfs/dbraw/zinc/62/71/86/1311627186.db2.gz ZYLWGJJDOQOYPG-NSHDSACASA-N 1 0 341.371 2.535 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C)ncc3[N+](=O)[O-])c2c1 ZINC001160013338 1311628694 /nfs/dbraw/zinc/62/86/94/1311628694.db2.gz WCSDDQUKVUXTJA-NSHDSACASA-N 1 0 325.372 2.835 20 5 EFBDRO CCOC(=O)c1sc(O[C@@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001226202540 1311628979 /nfs/dbraw/zinc/62/89/79/1311628979.db2.gz CNWBZSZMVRVMIV-QMMMGPOBSA-N 1 0 341.375 2.812 20 5 EFBDRO COC(=O)Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226217741 1311632336 /nfs/dbraw/zinc/63/23/36/1311632336.db2.gz XLBKACSSLQEUJZ-HDJSIYSDSA-N 1 0 336.388 2.562 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226258128 1311638652 /nfs/dbraw/zinc/63/86/52/1311638652.db2.gz KVEYPIDHISLMDX-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO COc1ncc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160141120 1311653427 /nfs/dbraw/zinc/65/34/27/1311653427.db2.gz DCNXIWJXMDUHTJ-GFCCVEGCSA-N 1 0 348.334 2.622 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3CCCC[NH2+]3)nn2)ccc1F ZINC001160151410 1311656061 /nfs/dbraw/zinc/65/60/61/1311656061.db2.gz SUMMPECRWYYCFR-LBPRGKRZSA-N 1 0 331.351 2.745 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)nc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001226367734 1311656524 /nfs/dbraw/zinc/65/65/24/1311656524.db2.gz LXVOOPYBKXUHOF-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO O=C(CC(F)(F)F)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226385241 1311660094 /nfs/dbraw/zinc/66/00/94/1311660094.db2.gz VDMMVLVITQUKTM-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])nc1Cl ZINC001160200091 1311663528 /nfs/dbraw/zinc/66/35/28/1311663528.db2.gz OEXABQXWDPCOQK-JTQLQIEISA-N 1 0 334.763 2.809 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394633 1311702564 /nfs/dbraw/zinc/70/25/64/1311702564.db2.gz LJSDONSLFSDATG-BDJLRTHQSA-N 1 0 327.340 2.795 20 5 EFBDRO [NH3+]Cc1ccc(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])cn1 ZINC001160402627 1311703880 /nfs/dbraw/zinc/70/38/80/1311703880.db2.gz YPGZXYQMXYTUCJ-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO COc1ncnc(Nc2ccc(C[NH3+])cc2C(F)(F)F)c1[N+](=O)[O-] ZINC001160418541 1311706110 /nfs/dbraw/zinc/70/61/10/1311706110.db2.gz BCHSMBAVLODAEC-UHFFFAOYSA-N 1 0 343.265 2.615 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711808 1311711536 /nfs/dbraw/zinc/71/15/36/1311711536.db2.gz GOPIWWDIPOMQII-DZGCQCFKSA-N 1 0 328.372 2.989 20 5 EFBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001160469170 1311717294 /nfs/dbraw/zinc/71/72/94/1311717294.db2.gz PIPWGDAEYHLFLY-XYYAHUGASA-N 1 0 327.388 2.965 20 5 EFBDRO O=C(/C=C/C1CC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226777781 1311721575 /nfs/dbraw/zinc/72/15/75/1311721575.db2.gz GMHKKNZARYTTJL-BQYQJAHWSA-N 1 0 329.400 2.642 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160737149 1311771861 /nfs/dbraw/zinc/77/18/61/1311771861.db2.gz BNFVNPQIJQWBOJ-AZUAARDMSA-N 1 0 334.419 2.532 20 5 EFBDRO Cc1cc(Cl)nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160738281 1311771944 /nfs/dbraw/zinc/77/19/44/1311771944.db2.gz SIYWNLUHFXPPSJ-JGVFFNPUSA-N 1 0 338.717 2.904 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160740211 1311772215 /nfs/dbraw/zinc/77/22/15/1311772215.db2.gz YYLAGBVKUAUGBU-PMACEKPBSA-N 1 0 334.419 2.674 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCC(F)(F)CC2)nc2[nH]ccc21 ZINC001160753071 1311774746 /nfs/dbraw/zinc/77/47/46/1311774746.db2.gz XBCUDSQRSYZRPD-UHFFFAOYSA-N 1 0 325.319 2.614 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160763807 1311776497 /nfs/dbraw/zinc/77/64/97/1311776497.db2.gz SMICFHPZVQUBTN-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO O=c1cc(OC2CC[NH+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227221075 1311778808 /nfs/dbraw/zinc/77/88/08/1311778808.db2.gz OBUYANSYUJXJIN-UHFFFAOYSA-N 1 0 329.356 2.854 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256750 1311783884 /nfs/dbraw/zinc/78/38/84/1311783884.db2.gz NLDMSYJIBYMEDK-VIFPVBQESA-N 1 0 330.182 2.614 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227256941 1311784022 /nfs/dbraw/zinc/78/40/22/1311784022.db2.gz OAEBANPOOKNODE-VIFPVBQESA-N 1 0 332.198 2.861 20 5 EFBDRO Cc1nc(Cl)nc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001227341269 1311795620 /nfs/dbraw/zinc/79/56/20/1311795620.db2.gz VXJYOPQJNPSCRU-UHFFFAOYSA-N 1 0 349.778 2.789 20 5 EFBDRO CC(C)(C[NH3+])c1cn(-c2cc(N)c([N+](=O)[O-])cn2)c2ccccc12 ZINC001160845859 1311795652 /nfs/dbraw/zinc/79/56/52/1311795652.db2.gz XSGKVLMVZILMLS-UHFFFAOYSA-N 1 0 325.372 2.752 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160966372 1311823191 /nfs/dbraw/zinc/82/31/91/1311823191.db2.gz DIUXQWXISWOXOF-SNVBAGLBSA-N 1 0 334.754 2.766 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cccc1I ZINC001227634369 1311834071 /nfs/dbraw/zinc/83/40/71/1311834071.db2.gz SGFDSZQJRVNNDS-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001227702363 1311842317 /nfs/dbraw/zinc/84/23/17/1311842317.db2.gz VMQKQXMMLHAOEE-HDJSIYSDSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cc2ncnc(Nc3cccc(CC[NH3+])c3)c2cc1[N+](=O)[O-] ZINC001161079300 1311853874 /nfs/dbraw/zinc/85/38/74/1311853874.db2.gz SFRYUZPSIFQCEI-UHFFFAOYSA-N 1 0 339.355 2.791 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525012 1311860464 /nfs/dbraw/zinc/86/04/64/1311860464.db2.gz FYYOZHJJUAUERH-CWQOZTLDSA-N 1 0 349.475 2.591 20 5 EFBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001161141183 1311868505 /nfs/dbraw/zinc/86/85/05/1311868505.db2.gz CURUDQZCDICXDX-UHFFFAOYSA-N 1 0 331.372 2.660 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228061922 1311896462 /nfs/dbraw/zinc/89/64/62/1311896462.db2.gz YMQAZFOMFNIXPU-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO COCCC1(CNc2ccc3cccc([N+](=O)[O-])c3n2)CC[NH2+]CC1 ZINC001161503462 1311902289 /nfs/dbraw/zinc/90/22/89/1311902289.db2.gz JPCRQPDBCBGEDC-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])(c3cccnc3)CC2)n1 ZINC001161582977 1311921857 /nfs/dbraw/zinc/92/18/57/1311921857.db2.gz FYSZRPMVXSUHSW-UHFFFAOYSA-N 1 0 347.806 2.801 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CCF)CC1 ZINC001228408126 1311942737 /nfs/dbraw/zinc/94/27/37/1311942737.db2.gz OKFFHZPOQYOLSV-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(F)cc(F)c3[N+](=O)[O-])O2)CC1 ZINC001228610485 1311969575 /nfs/dbraw/zinc/96/95/75/1311969575.db2.gz WLNIEHRPUULDGZ-LBPRGKRZSA-N 1 0 342.342 2.895 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001228655898 1311976342 /nfs/dbraw/zinc/97/63/42/1311976342.db2.gz XJXZZTJWNWRLQY-CYBMUJFWSA-N 1 0 332.335 2.567 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001228661257 1311977245 /nfs/dbraw/zinc/97/72/45/1311977245.db2.gz WJOGGKMIWBXFLA-HLLBOEOZSA-N 1 0 340.383 2.674 20 5 EFBDRO [NH3+]CCN(c1ccc(F)cc1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001161882353 1311993850 /nfs/dbraw/zinc/99/38/50/1311993850.db2.gz DOGFCEFZNGOGFD-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c3ccccc3oc(=O)c1[N+](=O)[O-])C2 ZINC001228802400 1312001660 /nfs/dbraw/zinc/00/16/60/1312001660.db2.gz KCTQMTBMUCLDIB-GDNZZTSVSA-N 1 0 330.340 2.705 20 5 EFBDRO C[C@@H](Oc1cnccc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001228880912 1312014986 /nfs/dbraw/zinc/01/49/86/1312014986.db2.gz ZUVSSWKITSVKLK-RDTXWAMCSA-N 1 0 343.383 2.658 20 5 EFBDRO Cc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001161985527 1312021102 /nfs/dbraw/zinc/02/11/02/1312021102.db2.gz HQYARSNQFPRCJI-UHFFFAOYSA-N 1 0 344.390 2.978 20 5 EFBDRO COc1cccc(C2(Nc3ncc(C)cc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161992355 1312023763 /nfs/dbraw/zinc/02/37/63/1312023763.db2.gz QOWWUEQSWGXZII-UHFFFAOYSA-N 1 0 342.399 2.998 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)CC1 ZINC001228962115 1312027597 /nfs/dbraw/zinc/02/75/97/1312027597.db2.gz FLCYPNJMWDTAHF-NSHDSACASA-N 1 0 342.779 2.898 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001228968211 1312028871 /nfs/dbraw/zinc/02/88/71/1312028871.db2.gz XSOMQCPHXHLFTP-VIFPVBQESA-N 1 0 331.776 2.508 20 5 EFBDRO CCC1(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001229065173 1312043232 /nfs/dbraw/zinc/04/32/32/1312043232.db2.gz KVNVYENURHTJCR-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO COC(=O)c1cccc(Br)c1O[C@H](C)C[N+](C)(C)C ZINC001229275820 1312071289 /nfs/dbraw/zinc/07/12/89/1312071289.db2.gz NADGIWQNOXPUSE-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162187342 1312064105 /nfs/dbraw/zinc/06/41/05/1312064105.db2.gz NJTCFQKAFPULSM-WKILWMFISA-N 1 0 348.447 2.803 20 5 EFBDRO Cc1ccnc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001162195101 1312065619 /nfs/dbraw/zinc/06/56/19/1312065619.db2.gz JSUJRZSNEGQEHP-WKILWMFISA-N 1 0 341.415 2.970 20 5 EFBDRO C[NH+](C)CCC(=O)c1ccc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1 ZINC001229303560 1312074691 /nfs/dbraw/zinc/07/46/91/1312074691.db2.gz UXLOSZXNBXSMLY-GOSISDBHSA-N 1 0 343.383 2.613 20 5 EFBDRO Cc1cc(N[C@@]2(C)CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162340400 1312090173 /nfs/dbraw/zinc/09/01/73/1312090173.db2.gz RFJFUTHHAQSRMF-SFHVURJKSA-N 1 0 341.415 2.678 20 5 EFBDRO C[N@@H+]1CCC[C@@](C)(NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001162342714 1312090852 /nfs/dbraw/zinc/09/08/52/1312090852.db2.gz WTJDSJZUODZPSJ-GFCCVEGCSA-N 1 0 334.754 2.766 20 5 EFBDRO COc1cc(C(=O)OC(C)C)cc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001229500834 1312106340 /nfs/dbraw/zinc/10/63/40/1312106340.db2.gz ZJBZODRDHVWNRN-ZDUSSCGKSA-N 1 0 340.440 2.743 20 5 EFBDRO COc1cc(C(=O)OC(C)C)cc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001229500833 1312106551 /nfs/dbraw/zinc/10/65/51/1312106551.db2.gz ZJBZODRDHVWNRN-CYBMUJFWSA-N 1 0 340.440 2.743 20 5 EFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162461977 1312107851 /nfs/dbraw/zinc/10/78/51/1312107851.db2.gz SGCJMBWTHDPXPJ-QWRGUYRKSA-N 1 0 333.367 2.725 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001162465311 1312108800 /nfs/dbraw/zinc/10/88/00/1312108800.db2.gz FRNRIYRXSNXDSQ-JSGCOSHPSA-N 1 0 335.404 2.819 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162472941 1312110169 /nfs/dbraw/zinc/11/01/69/1312110169.db2.gz ZWAPFVBHCYEVCC-WCQYABFASA-N 1 0 335.404 2.737 20 5 EFBDRO Cc1cncc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001162484553 1312112162 /nfs/dbraw/zinc/11/21/62/1312112162.db2.gz WKJDNGGQHYHAHI-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229561216 1312113893 /nfs/dbraw/zinc/11/38/93/1312113893.db2.gz UWEMTMCRWQNHNM-JTQLQIEISA-N 1 0 330.182 2.614 20 5 EFBDRO O=C(C1=CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048765706 1312117333 /nfs/dbraw/zinc/11/73/33/1312117333.db2.gz HIWUTDUJGCONMC-CALCHBBNSA-N 1 0 341.411 2.595 20 5 EFBDRO C[C@@H]1C[C@@H](CNc2c(Br)cc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001162557125 1312123829 /nfs/dbraw/zinc/12/38/29/1312123829.db2.gz BGJFONVEQSRNNF-HTQZYQBOSA-N 1 0 332.173 2.906 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162583774 1312129622 /nfs/dbraw/zinc/12/96/22/1312129622.db2.gz RLSVVFLFMFPQAW-INIZCTEOSA-N 1 0 339.367 2.665 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229804167 1312142818 /nfs/dbraw/zinc/14/28/18/1312142818.db2.gz XCLBYIUQKDRHJT-LBPRGKRZSA-N 1 0 341.363 2.830 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229858930 1312150645 /nfs/dbraw/zinc/15/06/45/1312150645.db2.gz ULXPXGRBKHZTHK-NSHDSACASA-N 1 0 336.367 2.768 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(C)c(OC)c2[N+](=O)[O-])C1 ZINC001229869376 1312151694 /nfs/dbraw/zinc/15/16/94/1312151694.db2.gz XPBCSHNBHLCBOV-LLVKDONJSA-N 1 0 339.348 2.683 20 5 EFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001229868891 1312151702 /nfs/dbraw/zinc/15/17/02/1312151702.db2.gz OPOPCVOOEYRUNZ-NSHDSACASA-N 1 0 339.348 2.683 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3C)C[C@H]1[N@@H+]2C ZINC001229880802 1312153552 /nfs/dbraw/zinc/15/35/52/1312153552.db2.gz IZQCKNLJCGKWDG-KJGCVMFHSA-N 1 0 348.399 2.757 20 5 EFBDRO COCCC[NH+]1CCC(Oc2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001229895397 1312155657 /nfs/dbraw/zinc/15/56/57/1312155657.db2.gz DGUZZIIYKNCFAN-UHFFFAOYSA-N 1 0 326.368 2.922 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001229898584 1312156528 /nfs/dbraw/zinc/15/65/28/1312156528.db2.gz AWAWFVDIVXNKRE-UHFFFAOYSA-N 1 0 334.372 2.695 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])nc3Cl)O2)CC1 ZINC001229916080 1312159511 /nfs/dbraw/zinc/15/95/11/1312159511.db2.gz VIQGMFWHDOJNBR-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])nc3Cl)O2)CC1 ZINC001229916073 1312159831 /nfs/dbraw/zinc/15/98/31/1312159831.db2.gz VIQGMFWHDOJNBR-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO COC(=O)c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC001229943001 1312162025 /nfs/dbraw/zinc/16/20/25/1312162025.db2.gz SLJPZKWRWJXJIM-JGPRNRPPSA-N 1 0 338.335 2.525 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](C2CC2)CC1 ZINC001229960924 1312163282 /nfs/dbraw/zinc/16/32/82/1312163282.db2.gz QEKISIDMHHIVOW-UHFFFAOYSA-N 1 0 334.372 2.695 20 5 EFBDRO CC(C)Oc1nc(N2Cc3ccccc3C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001162744933 1312166245 /nfs/dbraw/zinc/16/62/45/1312166245.db2.gz KSGPJLBIWHEOCK-HNNXBMFYSA-N 1 0 342.399 2.667 20 5 EFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001162764358 1312171186 /nfs/dbraw/zinc/17/11/86/1312171186.db2.gz WXUJEBWAWIGLFF-QMMMGPOBSA-N 1 0 340.368 2.958 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1 ZINC001162777839 1312174119 /nfs/dbraw/zinc/17/41/19/1312174119.db2.gz WAGKQCBZAARAAB-JTQLQIEISA-N 1 0 340.339 2.740 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2ncc(Br)c(C)c2[N+](=O)[O-])C1 ZINC001230035339 1312175405 /nfs/dbraw/zinc/17/54/05/1312175405.db2.gz RFUNDYPVMWULPM-SECBINFHSA-N 1 0 330.182 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)c2c1 ZINC001162796953 1312177820 /nfs/dbraw/zinc/17/78/20/1312177820.db2.gz HWYKXMKBRCVJDJ-GAJTVXKRSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)c2c1 ZINC001162796954 1312177981 /nfs/dbraw/zinc/17/79/81/1312177981.db2.gz HWYKXMKBRCVJDJ-LJWDBELGSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001162799073 1312178231 /nfs/dbraw/zinc/17/82/31/1312178231.db2.gz WOYJTPGTWFUJTD-DRCTWCGVSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)ccc21 ZINC001162799077 1312178410 /nfs/dbraw/zinc/17/84/10/1312178410.db2.gz WOYJTPGTWFUJTD-OLUVUFQESA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc1-c1ccc(F)cc1 ZINC001162801191 1312178672 /nfs/dbraw/zinc/17/86/72/1312178672.db2.gz HIFQKXJGBPXCOK-AEGPPILISA-N 1 0 340.358 2.982 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2NCc2ccc3c(c2)CC[NH2+]C3)s1 ZINC001162807757 1312180035 /nfs/dbraw/zinc/18/00/35/1312180035.db2.gz RAQQVHHIRCQCBL-UHFFFAOYSA-N 1 0 341.396 2.857 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3CC[NH2+]C[C@@H]3F)nn2)ccc1F ZINC001162808461 1312180457 /nfs/dbraw/zinc/18/04/57/1312180457.db2.gz KUCLAACUPRXWFH-AAEUAGOBSA-N 1 0 349.341 2.550 20 5 EFBDRO COc1nc(C)nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001162900642 1312200265 /nfs/dbraw/zinc/20/02/65/1312200265.db2.gz ZTMOVHUIKNRSNP-SECBINFHSA-N 1 0 327.344 2.665 20 5 EFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3c[nH]cc([N+](=O)[O-])c-3n1)C2 ZINC001230230387 1312207829 /nfs/dbraw/zinc/20/78/29/1312207829.db2.gz PALKJSDDSKGWKG-GDNZZTSVSA-N 1 0 331.376 2.649 20 5 EFBDRO COc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc([N+](=O)[O-])c1C ZINC001162963052 1312212823 /nfs/dbraw/zinc/21/28/23/1312212823.db2.gz NHKQKHCXYXDVGZ-HNNXBMFYSA-N 1 0 349.431 2.873 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162964292 1312213208 /nfs/dbraw/zinc/21/32/08/1312213208.db2.gz YCCJIOLCSWAYIH-AWEZNQCLSA-N 1 0 349.431 2.873 20 5 EFBDRO CC(C)(C)c1ccc(NCc2nnn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001162978261 1312217348 /nfs/dbraw/zinc/21/73/48/1312217348.db2.gz VWTYHXTULJZFRF-UHFFFAOYSA-N 1 0 344.419 2.589 20 5 EFBDRO CN(C)c1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163063931 1312235269 /nfs/dbraw/zinc/23/52/69/1312235269.db2.gz NSDIUBNMZFODAA-AWEZNQCLSA-N 1 0 343.431 2.684 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061515 1312235315 /nfs/dbraw/zinc/23/53/15/1312235315.db2.gz WTBAYKAKGBJKCH-AWEZNQCLSA-N 1 0 344.415 2.935 20 5 EFBDRO CCCN1CCO[C@@H]2c3cc(O[C@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428425 1312241686 /nfs/dbraw/zinc/24/16/86/1312241686.db2.gz YFMQUSXNLPSJON-XFQXTVEOSA-N 1 0 349.495 2.704 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001163104388 1312242055 /nfs/dbraw/zinc/24/20/55/1312242055.db2.gz RBUIXNAOKUNMEX-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(C)(C)c1cnc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001163125604 1312245616 /nfs/dbraw/zinc/24/56/16/1312245616.db2.gz AZFBNYXPJMJXCF-UHFFFAOYSA-N 1 0 331.376 2.533 20 5 EFBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)cc(C(F)(F)F)c1 ZINC001163131307 1312248176 /nfs/dbraw/zinc/24/81/76/1312248176.db2.gz AUJARXHUAJRCQG-UHFFFAOYSA-N 1 0 342.277 2.859 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCc1noc2c1C[NH2+]CC2 ZINC001163134044 1312248618 /nfs/dbraw/zinc/24/86/18/1312248618.db2.gz IOBLYGMUUCVLBQ-GQCTYLIASA-N 1 0 334.763 2.833 20 5 EFBDRO Clc1nc2ccc3ccccc3c2nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141609 1312250472 /nfs/dbraw/zinc/25/04/72/1312250472.db2.gz NYEPNWXPVCARPB-BPLDGKMQSA-N 1 0 340.814 2.835 20 5 EFBDRO CC(F)(F)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163149951 1312251920 /nfs/dbraw/zinc/25/19/20/1312251920.db2.gz ZZNGFMVGBOCALX-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163173185 1312256986 /nfs/dbraw/zinc/25/69/86/1312256986.db2.gz XOHFJHRQOKUTLS-UDZFHETQSA-N 1 0 345.321 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c2ccccc21 ZINC001163175138 1312257658 /nfs/dbraw/zinc/25/76/58/1312257658.db2.gz CRQSQIGFMWBNPT-SNUQEOBHSA-N 1 0 327.384 2.784 20 5 EFBDRO CSc1nc(Cl)nc(N(C(C)C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001163188042 1312259564 /nfs/dbraw/zinc/25/95/64/1312259564.db2.gz KLNQZVGYKQFPRS-UHFFFAOYSA-N 1 0 333.845 2.712 20 5 EFBDRO Clc1nc2ccc3ccccc3c2nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163197435 1312261195 /nfs/dbraw/zinc/26/11/95/1312261195.db2.gz VZUKKIWJSHXXMT-KZULUSFZSA-N 1 0 340.814 2.979 20 5 EFBDRO Cc1nc(Cl)nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)c1[N+](=O)[O-] ZINC001163215327 1312265480 /nfs/dbraw/zinc/26/54/80/1312265480.db2.gz GIZVUAFTQAMVFE-UHFFFAOYSA-N 1 0 344.762 2.658 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163220707 1312266866 /nfs/dbraw/zinc/26/68/66/1312266866.db2.gz HMXYJKSJLZWRBX-GFCCVEGCSA-N 1 0 345.359 2.995 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2C[NH2+]Cc3ccsc32)s1 ZINC001163226235 1312268592 /nfs/dbraw/zinc/26/85/92/1312268592.db2.gz DEAYGKYDNIWMET-SECBINFHSA-N 1 0 333.398 2.917 20 5 EFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163266814 1312278101 /nfs/dbraw/zinc/27/81/01/1312278101.db2.gz CBPXVGCRLCKDQA-SCVCMEIPSA-N 1 0 325.796 2.975 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001163268796 1312278459 /nfs/dbraw/zinc/27/84/59/1312278459.db2.gz FTLAOXHBWQJBHW-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001163268797 1312278731 /nfs/dbraw/zinc/27/87/31/1312278731.db2.gz FTLAOXHBWQJBHW-UGSOOPFHSA-N 1 0 342.399 2.714 20 5 EFBDRO CC(C)=CC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163276190 1312280824 /nfs/dbraw/zinc/28/08/24/1312280824.db2.gz SPBMHWMCIARKDZ-UHFFFAOYSA-N 1 0 337.445 2.999 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163279024 1312281171 /nfs/dbraw/zinc/28/11/71/1312281171.db2.gz KLWHXTYZNOYSOP-DYVFJYSZSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc2ncccc21 ZINC001163284396 1312282063 /nfs/dbraw/zinc/28/20/63/1312282063.db2.gz LMTKGORHBUOQSA-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)n1 ZINC001163299135 1312284184 /nfs/dbraw/zinc/28/41/84/1312284184.db2.gz QDRKZFIFRSAPPF-UHFFFAOYSA-N 1 0 327.816 2.879 20 5 EFBDRO CCOc1nc(N[C@@H](C[NH3+])c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC001163309079 1312285997 /nfs/dbraw/zinc/28/59/97/1312285997.db2.gz JHWUEPMZPLWEAZ-ZDUSSCGKSA-N 1 0 332.360 2.509 20 5 EFBDRO Cc1ccc2c(ccnc2N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163309185 1312286598 /nfs/dbraw/zinc/28/65/98/1312286598.db2.gz GVJDCGBWRSPBLK-UGSOOPFHSA-N 1 0 342.399 2.774 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001163317210 1312288101 /nfs/dbraw/zinc/28/81/01/1312288101.db2.gz UCQZHTWGKFSLLS-CXAGYDPISA-N 1 0 346.362 2.605 20 5 EFBDRO Cc1cc(Cl)c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163333372 1312291695 /nfs/dbraw/zinc/29/16/95/1312291695.db2.gz RGFNGTRFTAEJQE-XHDPSFHLSA-N 1 0 325.796 2.880 20 5 EFBDRO Cc1nc(Cl)nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163358547 1312295593 /nfs/dbraw/zinc/29/55/93/1312295593.db2.gz UCANNXICYUNXAY-GXSJLCMTSA-N 1 0 327.816 2.877 20 5 EFBDRO CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)CCC1 ZINC001048988517 1312329018 /nfs/dbraw/zinc/32/90/18/1312329018.db2.gz FIRDORGZUDOTMF-IYBDPMFKSA-N 1 0 343.427 2.675 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)cccc1C(F)(F)F ZINC001230825989 1312359578 /nfs/dbraw/zinc/35/95/78/1312359578.db2.gz KMJZKWGCQIJYOY-SECBINFHSA-N 1 0 340.749 2.721 20 5 EFBDRO COc1nc(C)nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001163755541 1312377771 /nfs/dbraw/zinc/37/77/71/1312377771.db2.gz GKGYREUHJCVAQB-UHFFFAOYSA-N 1 0 341.371 2.721 20 5 EFBDRO COc1nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)nc(C)c1[N+](=O)[O-] ZINC001163756194 1312378630 /nfs/dbraw/zinc/37/86/30/1312378630.db2.gz YHQDVLHVJZQJTI-UHFFFAOYSA-N 1 0 341.371 2.721 20 5 EFBDRO Cc1nc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c(C)c1Br ZINC001163782455 1312383687 /nfs/dbraw/zinc/38/36/87/1312383687.db2.gz JAZGLLIVKYAFIK-ZETCQYMHSA-N 1 0 331.214 2.731 20 5 EFBDRO COc1csc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001163788421 1312384425 /nfs/dbraw/zinc/38/44/25/1312384425.db2.gz DEZIIEJALTWULN-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO CC(C)c1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1 ZINC001163820958 1312387287 /nfs/dbraw/zinc/38/72/87/1312387287.db2.gz QIXBJTPQDQYHSZ-UHFFFAOYSA-N 1 0 327.388 2.807 20 5 EFBDRO CC(C)(Cc1ccc(F)cc1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163853517 1312395513 /nfs/dbraw/zinc/39/55/13/1312395513.db2.gz XQIMBUNHTUMSRS-UHFFFAOYSA-N 1 0 345.378 2.644 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163879632 1312400492 /nfs/dbraw/zinc/40/04/92/1312400492.db2.gz LLTKYSJXOAOQEB-UHFFFAOYSA-N 1 0 348.447 2.627 20 5 EFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001163902313 1312404773 /nfs/dbraw/zinc/40/47/73/1312404773.db2.gz MARYEMZTFFZUFD-UHFFFAOYSA-N 1 0 342.746 2.694 20 5 EFBDRO C/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163991780 1312421534 /nfs/dbraw/zinc/42/15/34/1312421534.db2.gz GDEQEUOJUHHHIJ-LZWSPWQCSA-N 1 0 331.416 2.937 20 5 EFBDRO COc1nc(C)c(NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001163994829 1312422696 /nfs/dbraw/zinc/42/26/96/1312422696.db2.gz QONHJJRYTJNGLN-UHFFFAOYSA-N 1 0 330.388 2.981 20 5 EFBDRO Cc1c(Br)c(OC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001231092219 1312428547 /nfs/dbraw/zinc/42/85/47/1312428547.db2.gz CQCOLFTYKZCSKS-UHFFFAOYSA-N 1 0 330.182 2.534 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164070077 1312440893 /nfs/dbraw/zinc/44/08/93/1312440893.db2.gz NBGYUHMWMBREJM-GXSJLCMTSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001164074884 1312442533 /nfs/dbraw/zinc/44/25/33/1312442533.db2.gz APKOJJZPWNUOHS-CHWSQXEVSA-N 1 0 327.388 2.615 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000903197459 1312453070 /nfs/dbraw/zinc/45/30/70/1312453070.db2.gz OYAOHKFINXLOSK-GFCCVEGCSA-N 1 0 330.388 2.915 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C/c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231294809 1312473304 /nfs/dbraw/zinc/47/33/04/1312473304.db2.gz GGGWKISRCPYMCU-MDZDMXLPSA-N 1 0 343.383 2.839 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@@H]([NH3+])C1 ZINC001164280908 1312484343 /nfs/dbraw/zinc/48/43/43/1312484343.db2.gz LSWGBZZPCVBVKM-LLVKDONJSA-N 1 0 333.779 2.551 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001164415873 1312510534 /nfs/dbraw/zinc/51/05/34/1312510534.db2.gz GMDUVDYNDIJMQG-UHFFFAOYSA-N 1 0 344.415 2.956 20 5 EFBDRO [NH3+]CC1(c2ccccc2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001164435647 1312512674 /nfs/dbraw/zinc/51/26/74/1312512674.db2.gz MBWTWJBZAAQBCM-UHFFFAOYSA-N 1 0 330.363 2.626 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164474255 1312521184 /nfs/dbraw/zinc/52/11/84/1312521184.db2.gz OIUGNIJXUUUCKH-OLZOCXBDSA-N 1 0 327.388 2.615 20 5 EFBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001164604184 1312547830 /nfs/dbraw/zinc/54/78/30/1312547830.db2.gz BQDJKQBJPQKXEI-UHFFFAOYSA-N 1 0 337.445 2.833 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001164608521 1312549625 /nfs/dbraw/zinc/54/96/25/1312549625.db2.gz SKGDXCMRWLUZBS-CYBMUJFWSA-N 1 0 332.791 2.664 20 5 EFBDRO Cc1c(C)c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164613333 1312550908 /nfs/dbraw/zinc/55/09/08/1312550908.db2.gz VLKCLXKZDIMVRB-INIZCTEOSA-N 1 0 326.400 2.628 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165072059 1312562851 /nfs/dbraw/zinc/56/28/51/1312562851.db2.gz JQEMWRQIBODGHD-VIFPVBQESA-N 1 0 334.754 2.719 20 5 EFBDRO COCCC[NH+]1CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165098338 1312567671 /nfs/dbraw/zinc/56/76/71/1312567671.db2.gz XIIDINYSSIBMDT-UHFFFAOYSA-N 1 0 344.415 2.610 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)n1 ZINC001165122659 1312572004 /nfs/dbraw/zinc/57/20/04/1312572004.db2.gz JQNNVAHHGCGPKT-UHFFFAOYSA-N 1 0 344.802 2.965 20 5 EFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC4(C3)C[NH+](Cc3ccccc3)C4)nc21 ZINC001165123209 1312572518 /nfs/dbraw/zinc/57/25/18/1312572518.db2.gz MBPFDHSYYAUNPN-UHFFFAOYSA-N 1 0 349.394 2.793 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2nonc2c1 ZINC000903331549 1312576254 /nfs/dbraw/zinc/57/62/54/1312576254.db2.gz YOCKLDMVNUIXNX-SNVBAGLBSA-N 1 0 330.319 2.991 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001165141845 1312576927 /nfs/dbraw/zinc/57/69/27/1312576927.db2.gz ODEJBDLRCKFRLD-UHFFFAOYSA-N 1 0 345.378 2.723 20 5 EFBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001165183256 1312582455 /nfs/dbraw/zinc/58/24/55/1312582455.db2.gz GYXQDSBAKHPBQH-QFYYESIMSA-N 1 0 347.806 2.579 20 5 EFBDRO CC1(C)CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344198 1312584713 /nfs/dbraw/zinc/58/47/13/1312584713.db2.gz NANPLOFYXONIOW-LSDHHAIUSA-N 1 0 335.452 2.597 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CC1 ZINC001165221927 1312590174 /nfs/dbraw/zinc/59/01/74/1312590174.db2.gz WXSXMPAHVKGNEA-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001165245442 1312594275 /nfs/dbraw/zinc/59/42/75/1312594275.db2.gz MUIFXVQGMZQLHE-UHFFFAOYSA-N 1 0 347.806 2.899 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3CCC4(CCCC[NH2+]4)CC3)cnc2c1 ZINC001165247490 1312594539 /nfs/dbraw/zinc/59/45/39/1312594539.db2.gz ZLFDWDLVYKLJEU-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO Cc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165264406 1312598014 /nfs/dbraw/zinc/59/80/14/1312598014.db2.gz CKAVYMODHMYUAZ-CYBMUJFWSA-N 1 0 344.337 2.809 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165265503 1312598399 /nfs/dbraw/zinc/59/83/99/1312598399.db2.gz UOMXNLHWKVUXKZ-GFCCVEGCSA-N 1 0 348.300 2.640 20 5 EFBDRO CC(=O)N1CCc2cc(NCC[C@H]3CCC[N@@H+](C)C3)cc([N+](=O)[O-])c21 ZINC001165289781 1312603378 /nfs/dbraw/zinc/60/33/78/1312603378.db2.gz JIMAPGDQJJPLQY-CQSZACIVSA-N 1 0 346.431 2.648 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165301390 1312605799 /nfs/dbraw/zinc/60/57/99/1312605799.db2.gz VVMFYWKFCYFGME-GFCCVEGCSA-N 1 0 344.337 2.952 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304849 1312606513 /nfs/dbraw/zinc/60/65/13/1312606513.db2.gz SOAFHVYIIJMNOY-LLVKDONJSA-N 1 0 348.300 2.782 20 5 EFBDRO Cc1nc2c(n1-c1ccc3ccc4cccnc4c3n1)CC[NH2+]CC2 ZINC001165351783 1312614062 /nfs/dbraw/zinc/61/40/62/1312614062.db2.gz JMLGVXKZQZAUAS-UHFFFAOYSA-N 1 0 329.407 2.965 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c21 ZINC001165351667 1312614078 /nfs/dbraw/zinc/61/40/78/1312614078.db2.gz ZPDCQLCJFIWSDI-GOEBONIOSA-N 1 0 347.378 2.614 20 5 EFBDRO CCc1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165397591 1312620663 /nfs/dbraw/zinc/62/06/63/1312620663.db2.gz WTTZUQLIGCVGOK-CVEARBPZSA-N 1 0 339.399 2.555 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]2CF)CC1 ZINC001165428479 1312628107 /nfs/dbraw/zinc/62/81/07/1312628107.db2.gz CZGWLYPEIHSJHO-TZMCWYRMSA-N 1 0 330.363 2.656 20 5 EFBDRO Cc1cc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165428480 1312628252 /nfs/dbraw/zinc/62/82/52/1312628252.db2.gz DAIODCZZQBDFHY-DOMZBBRYSA-N 1 0 344.390 2.965 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165432533 1312629653 /nfs/dbraw/zinc/62/96/53/1312629653.db2.gz UKFKDCMWUXGXRQ-SFYZADRCSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165432727 1312629673 /nfs/dbraw/zinc/62/96/73/1312629673.db2.gz LOYXTPMFDXTQJA-OLZOCXBDSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]2CF)CC1 ZINC001165433441 1312630420 /nfs/dbraw/zinc/63/04/20/1312630420.db2.gz WJVILKYKJZSYQN-OLZOCXBDSA-N 1 0 330.363 2.656 20 5 EFBDRO COc1cc(NCC2C[NH+](Cc3ccccc3)C2)cnc1[N+](=O)[O-] ZINC001165452981 1312632944 /nfs/dbraw/zinc/63/29/44/1312632944.db2.gz DEPOOQHGWDETOG-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO C[NH+](C)CCOc1cc(NCCCc2ccncc2)ccc1[N+](=O)[O-] ZINC001165547732 1312645437 /nfs/dbraw/zinc/64/54/37/1312645437.db2.gz ZFAGEQXZUIVRNO-UHFFFAOYSA-N 1 0 344.415 2.975 20 5 EFBDRO C[N@H+](CCN1CCOCC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232218840 1312651015 /nfs/dbraw/zinc/65/10/15/1312651015.db2.gz MIOFSWLYFVRYCQ-UHFFFAOYSA-N 1 0 336.439 2.547 20 5 EFBDRO O[C@H]1COC2(C1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232218623 1312651236 /nfs/dbraw/zinc/65/12/36/1312651236.db2.gz JGBXERGTNKNGKR-GOSISDBHSA-N 1 0 349.434 2.899 20 5 EFBDRO CNC(=O)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219770 1312651767 /nfs/dbraw/zinc/65/17/67/1312651767.db2.gz USPVRTVSXMQSRX-UHFFFAOYSA-N 1 0 334.423 2.741 20 5 EFBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232222189 1312651829 /nfs/dbraw/zinc/65/18/29/1312651829.db2.gz JLUNHBYKERSBMS-QZTJIDSGSA-N 1 0 346.434 2.978 20 5 EFBDRO O=C1NC2(CO1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232224973 1312652701 /nfs/dbraw/zinc/65/27/01/1312652701.db2.gz LURQBEKEASXFPB-UHFFFAOYSA-N 1 0 348.406 2.857 20 5 EFBDRO CC(C)(C)N(c1cccc([N+](=O)[O-])n1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668658 1312659427 /nfs/dbraw/zinc/65/94/27/1312659427.db2.gz BXZUVZXDBPPFJS-ZDUSSCGKSA-N 1 0 334.420 2.506 20 5 EFBDRO Cc1ccnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1[N+](=O)[O-] ZINC001165669298 1312660008 /nfs/dbraw/zinc/66/00/08/1312660008.db2.gz JVEKBAUKMCJGOC-AWEZNQCLSA-N 1 0 348.447 2.814 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001211285655 1314469509 /nfs/dbraw/zinc/46/95/09/1314469509.db2.gz ISWCRNCAKCNLPX-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC001019937325 1314542335 /nfs/dbraw/zinc/54/23/35/1314542335.db2.gz CZIZRBWZDVAVEQ-HDJSIYSDSA-N 1 0 343.358 2.785 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019949746 1314547507 /nfs/dbraw/zinc/54/75/07/1314547507.db2.gz XTKOHJHAFAADQS-WKILWMFISA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(Cc1ccsc1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019962200 1314550580 /nfs/dbraw/zinc/55/05/80/1314550580.db2.gz ODVFFALUVBMEDE-SHTZXODSSA-N 1 0 345.424 2.636 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001246282207 1314605880 /nfs/dbraw/zinc/60/58/80/1314605880.db2.gz UPLQVLGFHCSHCE-KDOFPFPSSA-N 1 0 325.412 2.830 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582735 1314652227 /nfs/dbraw/zinc/65/22/27/1314652227.db2.gz SPCWXQQVNUPKOI-GUYCJALGSA-N 1 0 339.411 2.687 20 5 EFBDRO Cc1ccc(Nc2ncccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001214169199 1314653321 /nfs/dbraw/zinc/65/33/21/1314653321.db2.gz AXNFQYJZWZHZHY-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001246590448 1314653779 /nfs/dbraw/zinc/65/37/79/1314653779.db2.gz JIINIXPXDGYOMB-AVGNSLFASA-N 1 0 339.411 2.733 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611434 1314656952 /nfs/dbraw/zinc/65/69/52/1314656952.db2.gz SZVJUVHRRNPUHF-KBXCAEBGSA-N 1 0 333.432 2.752 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1C=CC=CC=C1 ZINC001020203167 1314665445 /nfs/dbraw/zinc/66/54/45/1314665445.db2.gz GSCORLFFQGBKTO-QAQDUYKDSA-N 1 0 339.395 2.630 20 5 EFBDRO COCCCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC001246809723 1314686579 /nfs/dbraw/zinc/68/65/79/1314686579.db2.gz RTGLWHXLNAIZGD-QAPCUYQASA-N 1 0 335.448 2.616 20 5 EFBDRO COc1ccc(C[C@@H](C)N(C2CC2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246918718 1314708048 /nfs/dbraw/zinc/70/80/48/1314708048.db2.gz QDZPZAXZLMWURL-CJNGLKHVSA-N 1 0 333.432 2.751 20 5 EFBDRO COc1ccc(C[C@@H](C)N(C2CC2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246918727 1314708067 /nfs/dbraw/zinc/70/80/67/1314708067.db2.gz QDZPZAXZLMWURL-CZUORRHYSA-N 1 0 333.432 2.751 20 5 EFBDRO COCCN([C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246926673 1314709539 /nfs/dbraw/zinc/70/95/39/1314709539.db2.gz DMMVLLZLKUIQOI-PKOBYXMFSA-N 1 0 347.459 2.543 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246940155 1314711046 /nfs/dbraw/zinc/71/10/46/1314711046.db2.gz XIYBNUDUKCAISY-NJAFHUGGSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)C1 ZINC001246940250 1314711443 /nfs/dbraw/zinc/71/14/43/1314711443.db2.gz TZUACUAHRQGQGQ-PVAVHDDUSA-N 1 0 335.423 2.825 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C12CCC(CC1)C2 ZINC001020298727 1314717657 /nfs/dbraw/zinc/71/76/57/1314717657.db2.gz SUQMMECFQDFDMA-FVYCFJCHSA-N 1 0 343.427 2.912 20 5 EFBDRO COCCCN([C@H]1CC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246979782 1314722607 /nfs/dbraw/zinc/72/26/07/1314722607.db2.gz PPZDYSVEFNKQEL-MJGOQNOKSA-N 1 0 347.459 2.543 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)NCCc2ccccc23)C1 ZINC001247004750 1314729133 /nfs/dbraw/zinc/72/91/33/1314729133.db2.gz NZCAXCOEROYXCM-WBVHZDCISA-N 1 0 329.444 2.569 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001247016390 1314731844 /nfs/dbraw/zinc/73/18/44/1314731844.db2.gz UPHSETHNEAINTP-YSVLISHTSA-N 1 0 333.432 2.608 20 5 EFBDRO [NH3+]CC(=O)NCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247626854 1314809962 /nfs/dbraw/zinc/80/99/62/1314809962.db2.gz WBJXCTIRUBSUPM-UHFFFAOYSA-N 1 0 332.363 2.618 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001215376918 1314826640 /nfs/dbraw/zinc/82/66/40/1314826640.db2.gz RDQZCXBQQKTYRW-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO Cc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001215638571 1314861979 /nfs/dbraw/zinc/86/19/79/1314861979.db2.gz UOXQXYUKLWATRB-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4[C@H]5C[NH2+]C[C@@H]45)n3)nc12 ZINC001247951989 1314873190 /nfs/dbraw/zinc/87/31/90/1314873190.db2.gz CEUZFHYYZOVGDF-QDMKHBRRSA-N 1 0 343.390 2.841 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)nc12 ZINC001248320190 1314923697 /nfs/dbraw/zinc/92/36/97/1314923697.db2.gz KHLJGSUIFLWNJI-GFCCVEGCSA-N 1 0 331.379 2.985 20 5 EFBDRO C[C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001249070332 1315016552 /nfs/dbraw/zinc/01/65/52/1315016552.db2.gz HGJRLVGLZJXAEC-BBBLOLIVSA-N 1 0 335.339 2.671 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001249547850 1315093895 /nfs/dbraw/zinc/09/38/95/1315093895.db2.gz FFBZXDKKUGYZOH-UHFFFAOYSA-N 1 0 345.378 2.933 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1CN1CC[NH+](C)CC1 ZINC001249548213 1315094289 /nfs/dbraw/zinc/09/42/89/1315094289.db2.gz KPZNGLMZZXBUMG-UHFFFAOYSA-N 1 0 341.415 2.789 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001249548730 1315095122 /nfs/dbraw/zinc/09/51/22/1315095122.db2.gz RLCFECPQXQWXNV-UHFFFAOYSA-N 1 0 341.415 2.789 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217946394 1315123423 /nfs/dbraw/zinc/12/34/23/1315123423.db2.gz FPCOUMVQJWYRDT-VXGBXAGGSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[NH2+]C[C@H]3F)[nH]c2cc1Cl ZINC001217945968 1315123502 /nfs/dbraw/zinc/12/35/02/1315123502.db2.gz FUXUTQBWGFZTGH-PRHODGIISA-N 1 0 328.731 2.593 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)ccc1Br ZINC001217945593 1315123567 /nfs/dbraw/zinc/12/35/67/1315123567.db2.gz KYCMRRMFYAYEAG-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CC[C@@H]2F)c1 ZINC001217960291 1315126136 /nfs/dbraw/zinc/12/61/36/1315126136.db2.gz WTHGAEIIESIXSQ-XVKPBYJWSA-N 1 0 337.120 2.575 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001217967760 1315126685 /nfs/dbraw/zinc/12/66/85/1315126685.db2.gz UUOLWSHGVKUSOA-LDWIPMOCSA-N 1 0 335.585 2.997 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218016118 1315134280 /nfs/dbraw/zinc/13/42/80/1315134280.db2.gz CBFRTZNLFOUGKY-NEPJUHHUSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1nc(O[C@@H]2CC[NH2+]CC[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001218025744 1315135580 /nfs/dbraw/zinc/13/55/80/1315135580.db2.gz VHDWZDYHOKRRQU-PRHODGIISA-N 1 0 344.209 2.828 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218044480 1315138063 /nfs/dbraw/zinc/13/80/63/1315138063.db2.gz AVRBGHSUBCJEIX-MLGOLLRUSA-N 1 0 333.391 2.816 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001218043842 1315138413 /nfs/dbraw/zinc/13/84/13/1315138413.db2.gz NBRIFBOMSZWTPR-IAQYHMDHSA-N 1 0 336.388 2.927 20 5 EFBDRO O=c1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218088352 1315146436 /nfs/dbraw/zinc/14/64/36/1315146436.db2.gz DKNYHIGCQGMORC-DOTOQJQBSA-N 1 0 329.356 2.760 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218088397 1315146594 /nfs/dbraw/zinc/14/65/94/1315146594.db2.gz DRXOIHYLCOIBJA-NVXWUHKLSA-N 1 0 334.372 2.683 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001218107415 1315149450 /nfs/dbraw/zinc/14/94/50/1315149450.db2.gz UZGZEHWAQBRTMB-DOTOQJQBSA-N 1 0 339.395 2.687 20 5 EFBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CNCC3(F)F)ccc12 ZINC001218234976 1315168361 /nfs/dbraw/zinc/16/83/61/1315168361.db2.gz IQTFHJNNZNPLKB-HNNXBMFYSA-N 1 0 333.290 2.638 20 5 EFBDRO O=c1cc(OC2CC3(C2)CCC[NH2+]C3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218253216 1315171154 /nfs/dbraw/zinc/17/11/54/1315171154.db2.gz CJUVQKBWWGNPDA-UHFFFAOYSA-N 1 0 329.356 2.760 20 5 EFBDRO C[C@H]1[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001218386468 1315187157 /nfs/dbraw/zinc/18/71/57/1315187157.db2.gz LIGSSVUANDOLLB-JMCQJSRRSA-N 1 0 327.262 2.901 20 5 EFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[NH2+][C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218385792 1315187319 /nfs/dbraw/zinc/18/73/19/1315187319.db2.gz LQAGAEHRMUVMGZ-BDJLRTHQSA-N 1 0 342.351 2.579 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC23CC3)c1Br ZINC001218398057 1315189184 /nfs/dbraw/zinc/18/91/84/1315189184.db2.gz BNEKOSOCIRRICG-NSHDSACASA-N 1 0 327.178 2.878 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218399658 1315189942 /nfs/dbraw/zinc/18/99/42/1315189942.db2.gz BSHGFZOZNYBLDC-SCZZXKLOSA-N 1 0 328.752 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218398858 1315189964 /nfs/dbraw/zinc/18/99/64/1315189964.db2.gz JGCJSTJUCDVXPT-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO C[C@@H]1CC[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C[NH2+]1 ZINC001218406485 1315191097 /nfs/dbraw/zinc/19/10/97/1315191097.db2.gz JYNNIAIMPHRLMY-OLZOCXBDSA-N 1 0 333.391 2.958 20 5 EFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218424210 1315194382 /nfs/dbraw/zinc/19/43/82/1315194382.db2.gz MYDYZFBNCLQBDA-SMDDNHRTSA-N 1 0 336.388 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)ccc1C(F)(F)F ZINC001218446825 1315197040 /nfs/dbraw/zinc/19/70/40/1315197040.db2.gz DBNOANVCHMILFO-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC2(F)F)c1Br ZINC001218448483 1315197188 /nfs/dbraw/zinc/19/71/88/1315197188.db2.gz NCPFIMXEWKFFEM-VIFPVBQESA-N 1 0 337.120 2.733 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218448300 1315197204 /nfs/dbraw/zinc/19/72/04/1315197204.db2.gz MCOFUDXKYIQDDR-LALPHHSUSA-N 1 0 334.372 2.679 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(F)cc1Br ZINC001218460767 1315199671 /nfs/dbraw/zinc/19/96/71/1315199671.db2.gz NUVDGLZMYWNAQL-DNSOKLHBSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC001218473867 1315201332 /nfs/dbraw/zinc/20/13/32/1315201332.db2.gz SERLOHIJKMRALH-MKPLZMMCSA-N 1 0 327.178 2.734 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218483103 1315203260 /nfs/dbraw/zinc/20/32/60/1315203260.db2.gz UIMHYSJWNMCHOE-KRTXAFLBSA-N 1 0 333.157 2.873 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218486721 1315203680 /nfs/dbraw/zinc/20/36/80/1315203680.db2.gz CUUDTJJGOULIJR-QGZVFWFLSA-N 1 0 342.351 2.995 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218485288 1315203934 /nfs/dbraw/zinc/20/39/34/1315203934.db2.gz GUPGXBCEKHZHCW-KRWDZBQOSA-N 1 0 342.351 2.995 20 5 EFBDRO C=C(N)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219371905 1315305688 /nfs/dbraw/zinc/30/56/88/1315305688.db2.gz OFCWSWLQSFWPIJ-UHFFFAOYSA-N 1 0 330.347 2.976 20 5 EFBDRO C[C@H]1CC[C@H](NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)C[NH2+]1 ZINC001219593653 1315328381 /nfs/dbraw/zinc/32/83/81/1315328381.db2.gz CDCWFCUYQPMJML-JSGCOSHPSA-N 1 0 336.391 2.817 20 5 EFBDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001219666645 1315334328 /nfs/dbraw/zinc/33/43/28/1315334328.db2.gz LQNUOOGDZXIFLE-ZIAGYGMSSA-N 1 0 334.423 2.758 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1cn[nH]c1 ZINC001220147379 1315376001 /nfs/dbraw/zinc/37/60/01/1315376001.db2.gz DRSGSSPCTSGMGP-FQEVSTJZSA-N 1 0 344.418 2.902 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1C[C@H](O)C1 ZINC001220157158 1315376226 /nfs/dbraw/zinc/37/62/26/1315376226.db2.gz YXEJGFFIGXXJGF-FTRWYGJKSA-N 1 0 334.419 2.502 20 5 EFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221340563 1315513020 /nfs/dbraw/zinc/51/30/20/1315513020.db2.gz XZACSGRGLQIUIU-JSXRDJHFSA-N 1 0 346.430 2.624 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001318441375 1328591726 /nfs/dbraw/zinc/59/17/26/1328591726.db2.gz ZQWJTRSLIDNINX-APHBMKBZSA-N 1 0 334.420 2.828 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nccnc3Cl)CC2)cc1 ZINC001254465350 1315706359 /nfs/dbraw/zinc/70/63/59/1315706359.db2.gz WXVWSNPQINTEEA-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO Cc1cc(C)n(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254465073 1315706671 /nfs/dbraw/zinc/70/66/71/1315706671.db2.gz SMMOJHLRVNLKLU-UHFFFAOYSA-N 1 0 343.431 2.667 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(F)ccn3)CC2)cc1 ZINC001254469269 1315706890 /nfs/dbraw/zinc/70/68/90/1315706890.db2.gz LHMAHOIYTRMCRY-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO C[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC001254475081 1315707301 /nfs/dbraw/zinc/70/73/01/1315707301.db2.gz ZYBBRAQVYSUBSD-PPUGGXLSSA-N 1 0 333.432 2.799 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@]1(C)O ZINC001254473843 1315707377 /nfs/dbraw/zinc/70/73/77/1315707377.db2.gz ILFVRVOZURFGOT-RDTXWAMCSA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1CO ZINC001254474124 1315707574 /nfs/dbraw/zinc/70/75/74/1315707574.db2.gz MMMNOUBXLJCSQX-KDOFPFPSSA-N 1 0 333.432 2.656 20 5 EFBDRO C[C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1CO ZINC001254474126 1315707688 /nfs/dbraw/zinc/70/76/88/1315707688.db2.gz MMMNOUBXLJCSQX-RDTXWAMCSA-N 1 0 333.432 2.656 20 5 EFBDRO CCn1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254473010 1315707726 /nfs/dbraw/zinc/70/77/26/1315707726.db2.gz ZVDJITNXBAUEFF-UHFFFAOYSA-N 1 0 329.404 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H](CO)CC3)CC2)cc1 ZINC001254474675 1315707741 /nfs/dbraw/zinc/70/77/41/1315707741.db2.gz SJSBUXDPZVRQRJ-HNNXBMFYSA-N 1 0 333.432 2.658 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480215 1315707963 /nfs/dbraw/zinc/70/79/63/1315707963.db2.gz YHEIQHAWGRJAGB-LJQANCHMSA-N 1 0 346.475 2.980 20 5 EFBDRO CN1C[C@H]2CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC001254479918 1315707989 /nfs/dbraw/zinc/70/79/89/1315707989.db2.gz QBMRHWDTWXBGPZ-DNVCBOLYSA-N 1 0 344.459 2.590 20 5 EFBDRO CN1CCC([N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476928 1315708130 /nfs/dbraw/zinc/70/81/30/1315708130.db2.gz XKTSBZSSYUULAO-UHFFFAOYSA-N 1 0 332.448 2.590 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479514 1315708300 /nfs/dbraw/zinc/70/83/00/1315708300.db2.gz CSEFTIRTTXBLJI-KRWDZBQOSA-N 1 0 347.415 2.591 20 5 EFBDRO CCCC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254478738 1315708449 /nfs/dbraw/zinc/70/84/49/1315708449.db2.gz IHHMOVXYRMUNJX-UHFFFAOYSA-N 1 0 346.475 2.981 20 5 EFBDRO CC(C)[N@H+](C)[C@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481558 1315708831 /nfs/dbraw/zinc/70/88/31/1315708831.db2.gz XFNGPNNYYHIYSX-IBGZPJMESA-N 1 0 346.475 2.978 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001254532182 1315720943 /nfs/dbraw/zinc/72/09/43/1315720943.db2.gz KAKMPCFNQJDHFT-DOMZBBRYSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC001254540702 1315721042 /nfs/dbraw/zinc/72/10/42/1315721042.db2.gz ULEIDGOKBUCWGM-AUUYWEPGSA-N 1 0 342.395 2.786 20 5 EFBDRO CCOC(=O)c1ccnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254537714 1315721258 /nfs/dbraw/zinc/72/12/58/1315721258.db2.gz GSFARLFTPXAUMY-ZDUSSCGKSA-N 1 0 343.383 2.887 20 5 EFBDRO COc1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254538766 1315721345 /nfs/dbraw/zinc/72/13/45/1315721345.db2.gz ATKHUAOZPACYMP-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254541236 1315721659 /nfs/dbraw/zinc/72/16/59/1315721659.db2.gz ZSAUMXBTENDJQW-WMLDXEAASA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001254544087 1315721666 /nfs/dbraw/zinc/72/16/66/1315721666.db2.gz UXLMHUFTEUQJDD-CQSZACIVSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1nccs1 ZINC001254540727 1315721757 /nfs/dbraw/zinc/72/17/57/1315721757.db2.gz VBIYJLICYBBFCN-LLVKDONJSA-N 1 0 334.401 2.601 20 5 EFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254541227 1315721890 /nfs/dbraw/zinc/72/18/90/1315721890.db2.gz ZSAUMXBTENDJQW-PBHICJAKSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1cccc(F)c1 ZINC001254544092 1315721898 /nfs/dbraw/zinc/72/18/98/1315721898.db2.gz VADMEUWWMYPTKT-CXAGYDPISA-N 1 0 332.375 2.858 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC(F)(F)C1 ZINC001254545806 1315722108 /nfs/dbraw/zinc/72/21/08/1315722108.db2.gz CZBYOXDWIXSULL-ZDUSSCGKSA-N 1 0 327.375 2.847 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001254549370 1315722152 /nfs/dbraw/zinc/72/21/52/1315722152.db2.gz SQTLVVCAUUGNBQ-LBPRGKRZSA-N 1 0 325.368 2.810 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001254548225 1315722211 /nfs/dbraw/zinc/72/22/11/1315722211.db2.gz LNGNKILNQIJJHK-FNHZYXHNSA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001254554705 1315722648 /nfs/dbraw/zinc/72/26/48/1315722648.db2.gz DJQJFEIBYQEOAT-ZBFHGGJFSA-N 1 0 345.443 2.716 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001254549707 1315722809 /nfs/dbraw/zinc/72/28/09/1315722809.db2.gz XRAJSRNJDWAIGM-BBRMVZONSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-n2ccnn2)cc1 ZINC001254549830 1315722882 /nfs/dbraw/zinc/72/28/82/1315722882.db2.gz XJKMREBRJMRXDU-CQSZACIVSA-N 1 0 337.383 2.896 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001254558595 1315723311 /nfs/dbraw/zinc/72/33/11/1315723311.db2.gz GTWNWJIGLALFCP-ZDUSSCGKSA-N 1 0 327.384 2.727 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001254558593 1315723379 /nfs/dbraw/zinc/72/33/79/1315723379.db2.gz GTWNWJIGLALFCP-CYBMUJFWSA-N 1 0 327.384 2.727 20 5 EFBDRO COC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254559990 1315723444 /nfs/dbraw/zinc/72/34/44/1315723444.db2.gz DKSNRCVLQOTUIH-XJKSGUPXSA-N 1 0 344.415 2.505 20 5 EFBDRO COCCCC[NH+]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567992 1315724648 /nfs/dbraw/zinc/72/46/48/1315724648.db2.gz DWPQMYAXULOEFS-INIZCTEOSA-N 1 0 335.448 2.570 20 5 EFBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567519 1315724981 /nfs/dbraw/zinc/72/49/81/1315724981.db2.gz OXZNRERYFOWLKZ-OAHLLOKOSA-N 1 0 347.415 2.519 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001254569983 1315725376 /nfs/dbraw/zinc/72/53/76/1315725376.db2.gz LMQMUQKNFLKNLQ-DOMZBBRYSA-N 1 0 346.362 2.608 20 5 EFBDRO CCC(=O)N(C)C1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254569728 1315725437 /nfs/dbraw/zinc/72/54/37/1315725437.db2.gz KIOMNYJCUAGWFG-AWEZNQCLSA-N 1 0 333.432 2.859 20 5 EFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574555 1315725877 /nfs/dbraw/zinc/72/58/77/1315725877.db2.gz ILBGIAWSAKQBQX-KRWDZBQOSA-N 1 0 349.394 2.694 20 5 EFBDRO COC(=O)c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572065 1315725883 /nfs/dbraw/zinc/72/58/83/1315725883.db2.gz HQRLDVADCJLGLP-MRXNPFEDSA-N 1 0 326.352 2.638 20 5 EFBDRO COc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254571894 1315725947 /nfs/dbraw/zinc/72/59/47/1315725947.db2.gz CPYKRUSQTOGXOM-INIZCTEOSA-N 1 0 342.395 2.912 20 5 EFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572566 1315725997 /nfs/dbraw/zinc/72/59/97/1315725997.db2.gz QBZYSYRUEAAMLJ-AWEZNQCLSA-N 1 0 335.404 2.566 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)Cc1ccccc1Cl)C2 ZINC001254577015 1315726528 /nfs/dbraw/zinc/72/65/28/1315726528.db2.gz BHRXURZQEFKRIF-HOTGVXAUSA-N 1 0 346.814 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)C2 ZINC001254579653 1315726715 /nfs/dbraw/zinc/72/67/15/1315726715.db2.gz UUOKQNZDDXQCOS-QAPCUYQASA-N 1 0 326.396 2.503 20 5 EFBDRO COc1cccc(OC)c1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580738 1315726949 /nfs/dbraw/zinc/72/69/49/1315726949.db2.gz FBZXJQTVCGYGCN-CQSZACIVSA-N 1 0 328.368 2.869 20 5 EFBDRO COc1ccccc1C(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579965 1315726961 /nfs/dbraw/zinc/72/69/61/1315726961.db2.gz XUKRMJRZNYSMRT-CQSZACIVSA-N 1 0 326.352 2.543 20 5 EFBDRO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581657 1315727076 /nfs/dbraw/zinc/72/70/76/1315727076.db2.gz PUOHLZBBVSEAEJ-HUUCEWRRSA-N 1 0 349.431 2.955 20 5 EFBDRO CN(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001254581440 1315727093 /nfs/dbraw/zinc/72/70/93/1315727093.db2.gz KINWJBNHSXBJMW-GOSISDBHSA-N 1 0 325.412 2.784 20 5 EFBDRO Cn1cc(-c2cc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccn2)cn1 ZINC001254579968 1315727163 /nfs/dbraw/zinc/72/71/63/1315727163.db2.gz XVHAZBSDEFXZEI-KRWDZBQOSA-N 1 0 349.394 2.647 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584649 1315727311 /nfs/dbraw/zinc/72/73/11/1315727311.db2.gz SSUIXFQOYLAFTB-RBSFLKMASA-N 1 0 347.415 2.707 20 5 EFBDRO COc1cccc(OCC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254585834 1315727745 /nfs/dbraw/zinc/72/77/45/1315727745.db2.gz XNSKLRWKJQMVJP-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc(OC3CCC3)n1)C2 ZINC001254585210 1315727936 /nfs/dbraw/zinc/72/79/36/1315727936.db2.gz BZUWZPHMNXYVNR-HNNXBMFYSA-N 1 0 340.383 2.573 20 5 EFBDRO CC(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)NC(C)(C)C ZINC001254586234 1315728085 /nfs/dbraw/zinc/72/80/85/1315728085.db2.gz JATXSMAZZUOILL-HOCLYGCPSA-N 1 0 333.432 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cncnc1C(F)(F)F)C2 ZINC001254589843 1315728261 /nfs/dbraw/zinc/72/82/61/1315728261.db2.gz SEQSSKJEEPMZSY-GFCCVEGCSA-N 1 0 338.289 2.661 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1F)C2 ZINC001254589031 1315728269 /nfs/dbraw/zinc/72/82/69/1315728269.db2.gz LJFLTGXJKPMJPO-CVEARBPZSA-N 1 0 348.349 2.533 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cncnc1C(F)(F)F)C2 ZINC001254589844 1315728442 /nfs/dbraw/zinc/72/84/42/1315728442.db2.gz SEQSSKJEEPMZSY-LBPRGKRZSA-N 1 0 338.289 2.661 20 5 EFBDRO COC(=O)[C@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254590636 1315728672 /nfs/dbraw/zinc/72/86/72/1315728672.db2.gz YDQUNRRQMOGEJQ-FUHWJXTLSA-N 1 0 340.379 2.608 20 5 EFBDRO Cc1cccnc1N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596409 1315728813 /nfs/dbraw/zinc/72/88/13/1315728813.db2.gz DJHOFNMBVCYYML-SFHVURJKSA-N 1 0 338.411 2.588 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCN(c3ccccn3)CC1)C2 ZINC001254596879 1315729116 /nfs/dbraw/zinc/72/91/16/1315729116.db2.gz GFCSIIMPRGZZQX-GOSISDBHSA-N 1 0 338.411 2.669 20 5 EFBDRO Cc1cccnc1N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596408 1315729152 /nfs/dbraw/zinc/72/91/52/1315729152.db2.gz DJHOFNMBVCYYML-GOSISDBHSA-N 1 0 338.411 2.588 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001254595433 1315729188 /nfs/dbraw/zinc/72/91/88/1315729188.db2.gz XFBVIICCOPXHQG-HXUWFJFHSA-N 1 0 337.423 2.880 20 5 EFBDRO COC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599069 1315729220 /nfs/dbraw/zinc/72/92/20/1315729220.db2.gz ZXRGNTOZWGZTTG-GBESFXJTSA-N 1 0 346.427 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(c3ccc(O)cc3)CC1)C2 ZINC001254599304 1315729233 /nfs/dbraw/zinc/72/92/33/1315729233.db2.gz NMQRLHNWEPUBTB-SFHVURJKSA-N 1 0 339.395 2.590 20 5 EFBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254601177 1315729601 /nfs/dbraw/zinc/72/96/01/1315729601.db2.gz VHODWHPVPCMOSK-RTBURBONSA-N 1 0 343.427 2.539 20 5 EFBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600850 1315729654 /nfs/dbraw/zinc/72/96/54/1315729654.db2.gz VYXVQDRQVGNOMN-AWEZNQCLSA-N 1 0 332.400 2.774 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001254604625 1315729925 /nfs/dbraw/zinc/72/99/25/1315729925.db2.gz WXIQEDDSQANYAQ-IBGZPJMESA-N 1 0 347.434 2.960 20 5 EFBDRO CC(C)C(=O)N(C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605227 1315730352 /nfs/dbraw/zinc/73/03/52/1315730352.db2.gz AMIKZEBTUBLVCT-GOSISDBHSA-N 1 0 345.443 2.641 20 5 EFBDRO Cc1nnc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)o1 ZINC001254605474 1315730429 /nfs/dbraw/zinc/73/04/29/1315730429.db2.gz AHFDUMQVOJSAAS-MRXNPFEDSA-N 1 0 328.372 2.633 20 5 EFBDRO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605294 1315730509 /nfs/dbraw/zinc/73/05/09/1315730509.db2.gz BDEAFWZYXSWOQW-MSOLQXFVSA-N 1 0 339.395 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001254606833 1315730658 /nfs/dbraw/zinc/73/06/58/1315730658.db2.gz IDYUNIYDELVYSO-AEFFLSMTSA-N 1 0 325.368 2.610 20 5 EFBDRO CC(C)CC(=O)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605877 1315730719 /nfs/dbraw/zinc/73/07/19/1315730719.db2.gz BURJLZUZWNFFCR-GOSISDBHSA-N 1 0 345.443 2.642 20 5 EFBDRO CCc1nnc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)o1 ZINC001254608272 1315731161 /nfs/dbraw/zinc/73/11/61/1315731161.db2.gz QDJASDKYPCXPEN-INIZCTEOSA-N 1 0 342.399 2.887 20 5 EFBDRO CCC(=O)N(CC)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610358 1315731165 /nfs/dbraw/zinc/73/11/65/1315731165.db2.gz KDQWEEZJKJLHOI-GOSISDBHSA-N 1 0 345.443 2.785 20 5 EFBDRO CCc1noc([C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254609589 1315731199 /nfs/dbraw/zinc/73/11/99/1315731199.db2.gz XYWPJMYQYKVFKG-XJKSGUPXSA-N 1 0 342.399 2.887 20 5 EFBDRO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609608 1315731241 /nfs/dbraw/zinc/73/12/41/1315731241.db2.gz YCMKEVBGCIVBDO-GOSISDBHSA-N 1 0 338.363 2.864 20 5 EFBDRO Cc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612058 1315731724 /nfs/dbraw/zinc/73/17/24/1315731724.db2.gz USWGDGNGRAFCKW-QZTJIDSGSA-N 1 0 339.395 2.919 20 5 EFBDRO CC(=O)NCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001001501505 1315733372 /nfs/dbraw/zinc/73/33/72/1315733372.db2.gz ICIZLWMVOCAXBH-UHFFFAOYSA-N 1 0 331.347 2.660 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039485555 1315832847 /nfs/dbraw/zinc/83/28/47/1315832847.db2.gz FJUAMRDALOQCDP-QZTJIDSGSA-N 1 0 349.475 2.545 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001255731268 1315862769 /nfs/dbraw/zinc/86/27/69/1315862769.db2.gz CYOIAIPTSNAQQD-KGLIPLIRSA-N 1 0 335.404 2.514 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256082809 1315902770 /nfs/dbraw/zinc/90/27/70/1315902770.db2.gz MEKSDRBNXPKDHI-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO COc1cc(N2CCC([NH2+]C3CC(F)(F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256083220 1315902797 /nfs/dbraw/zinc/90/27/97/1315902797.db2.gz NNJQGPIKKSEJBG-UHFFFAOYSA-N 1 0 341.358 2.960 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3cc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC001256085185 1315903371 /nfs/dbraw/zinc/90/33/71/1315903371.db2.gz LAXPWGDVFKTJAT-UHFFFAOYSA-N 1 0 346.387 2.658 20 5 EFBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)COC1 ZINC001256086721 1315903678 /nfs/dbraw/zinc/90/36/78/1315903678.db2.gz CERIETUZYZWEKY-UHFFFAOYSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094941 1315904405 /nfs/dbraw/zinc/90/44/05/1315904405.db2.gz REUARFCFWBRLJK-JKSUJKDBSA-N 1 0 331.416 2.960 20 5 EFBDRO CC[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100351 1315904542 /nfs/dbraw/zinc/90/45/42/1315904542.db2.gz GCZHRQYOILFSJP-CQSZACIVSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH+]3CC([C@H](C)OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101484 1315904690 /nfs/dbraw/zinc/90/46/90/1315904690.db2.gz KJKOKWHDZBWBTA-ZDUSSCGKSA-N 1 0 349.431 2.539 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)OC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256101694 1315904759 /nfs/dbraw/zinc/90/47/59/1315904759.db2.gz QWIFBNLRFXWVNI-ZIAGYGMSSA-N 1 0 349.431 2.681 20 5 EFBDRO Cc1cccc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c1[N+](=O)[O-] ZINC001258019416 1316112249 /nfs/dbraw/zinc/11/22/49/1316112249.db2.gz NPFWVPOSEAVSDM-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1-c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258020917 1316113061 /nfs/dbraw/zinc/11/30/61/1316113061.db2.gz UXGPDDGDJAHXMB-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258137248 1316123973 /nfs/dbraw/zinc/12/39/73/1316123973.db2.gz FSLSGYJMWBCYJW-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001262081900 1316447252 /nfs/dbraw/zinc/44/72/52/1316447252.db2.gz KIGMMWIOUUMGJX-UHFFFAOYSA-N 1 0 326.372 2.785 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)c1 ZINC001262559092 1316471808 /nfs/dbraw/zinc/47/18/08/1316471808.db2.gz ZRCZYMWWPWRPNB-LJQANCHMSA-N 1 0 339.395 2.794 20 5 EFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001262600642 1316474578 /nfs/dbraw/zinc/47/45/78/1316474578.db2.gz IHHSQFKKPSTXCS-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001263628798 1316552621 /nfs/dbraw/zinc/55/26/21/1316552621.db2.gz IVSZAPGZTKEPOS-DOMZBBRYSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001263647026 1316553222 /nfs/dbraw/zinc/55/32/22/1316553222.db2.gz VVVPZOUFQLCFKA-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1C ZINC001319196307 1328803918 /nfs/dbraw/zinc/80/39/18/1328803918.db2.gz PDXOGYPMIHWNNQ-ZDUSSCGKSA-N 1 0 343.431 2.956 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000818609746 1319270530 /nfs/dbraw/zinc/27/05/30/1319270530.db2.gz XQHLSVLEEOTWFB-INIZCTEOSA-N 1 0 339.395 2.752 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001319336543 1328856165 /nfs/dbraw/zinc/85/61/65/1328856165.db2.gz OENCFECCOPGKKL-AWEZNQCLSA-N 1 0 348.447 2.734 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001319407088 1328875430 /nfs/dbraw/zinc/87/54/30/1328875430.db2.gz BEVVDOCBZBJWMY-QWHCGFSZSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001319873022 1329023898 /nfs/dbraw/zinc/02/38/98/1329023898.db2.gz DOXBAESUUWFNPF-UHFFFAOYSA-N 1 0 342.399 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(/C=C/c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001320495018 1329145270 /nfs/dbraw/zinc/14/52/70/1329145270.db2.gz CHGIAGWJKFNWIV-YFCVBGDOSA-N 1 0 326.356 2.957 20 5 EFBDRO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC001317797568 1328385113 /nfs/dbraw/zinc/38/51/13/1328385113.db2.gz DJKPNTZJWXXBDY-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CC1CC[NH+](CCc2nnc(Cc3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001322932644 1329499175 /nfs/dbraw/zinc/49/91/75/1329499175.db2.gz UFRRUUQBOSXENQ-UHFFFAOYSA-N 1 0 330.388 2.843 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001323052862 1329508158 /nfs/dbraw/zinc/50/81/58/1329508158.db2.gz WKVKHMSCLMNPKV-IRXDYDNUSA-N 1 0 344.415 2.608 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001323175841 1329520357 /nfs/dbraw/zinc/52/03/57/1329520357.db2.gz VWQUZTUOHSZQDG-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO C[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001323272816 1329529607 /nfs/dbraw/zinc/52/96/07/1329529607.db2.gz BSFNBZYSKKMJTL-ZIAGYGMSSA-N 1 0 346.431 2.740 20 5 EFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001323346018 1329536917 /nfs/dbraw/zinc/53/69/17/1329536917.db2.gz PYAJEOLFZYMWJU-KRWDZBQOSA-N 1 0 339.395 2.989 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001324037401 1329593068 /nfs/dbraw/zinc/59/30/68/1329593068.db2.gz PGHWVPRTARRYSE-CYBMUJFWSA-N 1 0 348.447 2.877 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001324360170 1329619668 /nfs/dbraw/zinc/61/96/68/1329619668.db2.gz TVALTZROSUVJIL-CYBMUJFWSA-N 1 0 346.431 2.583 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001324588301 1329642290 /nfs/dbraw/zinc/64/22/90/1329642290.db2.gz HGJOTQZUMRHRFO-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325253115 1329676737 /nfs/dbraw/zinc/67/67/37/1329676737.db2.gz LRMAEHSIFMOZFF-SJORKVTESA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001325314869 1329679396 /nfs/dbraw/zinc/67/93/96/1329679396.db2.gz ZBDGRZFLFKJOHH-AWEZNQCLSA-N 1 0 346.431 2.831 20 5 EFBDRO C[NH2+][C@@H](C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001325321615 1329679694 /nfs/dbraw/zinc/67/96/94/1329679694.db2.gz WDHJLSVXSZDEQM-LBPRGKRZSA-N 1 0 333.388 2.951 20 5 EFBDRO CC(C)c1noc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001326560903 1330317597 /nfs/dbraw/zinc/31/75/97/1330317597.db2.gz JKBRPVHEDFKPMB-OLZOCXBDSA-N 1 0 348.407 2.614 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001327542696 1330496863 /nfs/dbraw/zinc/49/68/63/1330496863.db2.gz IFIBOEPVBHRIIE-UONOGXRCSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[N@@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC001327679446 1330507890 /nfs/dbraw/zinc/50/78/90/1330507890.db2.gz QGLZHMKEGFXQDD-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[N@H+]3CC=CCC3)c2c1 ZINC001328023021 1330542868 /nfs/dbraw/zinc/54/28/68/1330542868.db2.gz FFBVXWGWPOJGJK-UHFFFAOYSA-N 1 0 333.779 2.865 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC001328882626 1330643398 /nfs/dbraw/zinc/64/33/98/1330643398.db2.gz AYAFGSYUPKUNJN-RTBURBONSA-N 1 0 342.395 2.612 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001330013330 1330761340 /nfs/dbraw/zinc/76/13/40/1330761340.db2.gz SFKUMADYLOCEPV-CQSZACIVSA-N 1 0 346.431 2.585 20 5 EFBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001330657693 1330764446 /nfs/dbraw/zinc/76/44/46/1330764446.db2.gz NMOHSTFVDGAMML-INIZCTEOSA-N 1 0 330.388 2.945 20 5 EFBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001332197652 1330938032 /nfs/dbraw/zinc/93/80/32/1330938032.db2.gz NFYNQWNIAPAEFV-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001332224481 1330944760 /nfs/dbraw/zinc/94/47/60/1330944760.db2.gz CNQRTHHGJAOAOL-CQSZACIVSA-N 1 0 346.431 2.598 20 5 EFBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001333346321 1331121998 /nfs/dbraw/zinc/12/19/98/1331121998.db2.gz RXACSJCXPBBVSC-HOTGVXAUSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501705 1331155398 /nfs/dbraw/zinc/15/53/98/1331155398.db2.gz DNQWRBZSRZPITB-BXUZGUMPSA-N 1 0 336.367 2.824 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001333620855 1331182258 /nfs/dbraw/zinc/18/22/58/1331182258.db2.gz WDRKUDWXTFBUPW-YOWGUQMCSA-N 1 0 346.431 2.660 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001334112761 1331249982 /nfs/dbraw/zinc/24/99/82/1331249982.db2.gz YSWSRXDTHDAAQN-ZDUSSCGKSA-N 1 0 335.429 2.627 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001334279794 1331277258 /nfs/dbraw/zinc/27/72/58/1331277258.db2.gz URUHWPFPCNROCV-RCBQFDQVSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001335444090 1331347957 /nfs/dbraw/zinc/34/79/57/1331347957.db2.gz JKAWTRJJWIHHKN-GFCCVEGCSA-N 1 0 339.823 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001335446192 1331348913 /nfs/dbraw/zinc/34/89/13/1331348913.db2.gz YKLQVUBPTCVNBU-CRAIPNDOSA-N 1 0 333.432 2.625 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001335467416 1331353283 /nfs/dbraw/zinc/35/32/83/1331353283.db2.gz OLNRTYMVFBUAGV-RISCZKNCSA-N 1 0 343.387 2.584 20 5 EFBDRO COc1c(O)ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC001335468235 1331353878 /nfs/dbraw/zinc/35/38/78/1331353878.db2.gz RVPMEUGORJARMB-AWEZNQCLSA-N 1 0 339.436 2.765 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001335695993 1331391978 /nfs/dbraw/zinc/39/19/78/1331391978.db2.gz MECIMAJNMSXZLY-ZDUSSCGKSA-N 1 0 334.420 2.661 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001335766727 1331399781 /nfs/dbraw/zinc/39/97/81/1331399781.db2.gz XYMOEWZHHWHTPA-KBPBESRZSA-N 1 0 335.429 2.673 20 5 EFBDRO [NH3+]CC[C@@H]1CCCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001335874924 1331413228 /nfs/dbraw/zinc/41/32/28/1331413228.db2.gz ZEAFHVQKXRIICQ-JTQLQIEISA-N 1 0 335.795 2.899 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001336460762 1331475738 /nfs/dbraw/zinc/47/57/38/1331475738.db2.gz AYVWPDSGYJPYSR-CVEARBPZSA-N 1 0 347.415 2.739 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001336684421 1331491721 /nfs/dbraw/zinc/49/17/21/1331491721.db2.gz IMHFCUGOSFPVSS-UHFFFAOYSA-N 1 0 333.367 2.544 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)cc1 ZINC001336703621 1331494257 /nfs/dbraw/zinc/49/42/57/1331494257.db2.gz LRXZYQHMMWXIRT-LJQANCHMSA-N 1 0 339.395 2.794 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001336722647 1331496039 /nfs/dbraw/zinc/49/60/39/1331496039.db2.gz LGENTQZBGBTHTD-KSSFIOAISA-N 1 0 345.399 2.716 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337034116 1331529779 /nfs/dbraw/zinc/52/97/79/1331529779.db2.gz HFWSJRPSXFOLCQ-KGLIPLIRSA-N 1 0 333.436 2.663 20 5 EFBDRO Cc1c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)ccc2c[nH+]cn21 ZINC001337346377 1331564680 /nfs/dbraw/zinc/56/46/80/1331564680.db2.gz SVUCREQCVDVALU-UHFFFAOYSA-N 1 0 336.311 2.680 20 5 EFBDRO CC/C=C(\C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001337581092 1331585989 /nfs/dbraw/zinc/58/59/89/1331585989.db2.gz WBUXKQPWKLAODM-WLRTZDKTSA-N 1 0 332.404 2.641 20 5 EFBDRO COc1ccc(C2=NO[C@@H](CNCc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001338291059 1331686024 /nfs/dbraw/zinc/68/60/24/1331686024.db2.gz XVEAUCSJULWUIZ-MRXNPFEDSA-N 1 0 341.367 2.886 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC001338295827 1331686680 /nfs/dbraw/zinc/68/66/80/1331686680.db2.gz VCWITOLZQIELMC-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO CC[C@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334621 1331694059 /nfs/dbraw/zinc/69/40/59/1331694059.db2.gz GHATVOYPNRWDGV-ZDUSSCGKSA-N 1 0 334.420 2.721 20 5 EFBDRO COc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338506062 1331712256 /nfs/dbraw/zinc/71/22/56/1331712256.db2.gz UOUVOLBPACHGHN-GVDBMIGSSA-N 1 0 328.368 2.783 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001339054540 1331779532 /nfs/dbraw/zinc/77/95/32/1331779532.db2.gz SYHHFIJMUUKMRJ-UHFFFAOYSA-N 1 0 329.759 2.603 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001340856705 1332213306 /nfs/dbraw/zinc/21/33/06/1332213306.db2.gz IUXPGKXZCMOQSP-AWEZNQCLSA-N 1 0 335.404 2.596 20 5 EFBDRO C[C@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001341110080 1332234749 /nfs/dbraw/zinc/23/47/49/1332234749.db2.gz VVAVQIBDJBRGQN-IFXJQAMLSA-N 1 0 339.395 2.703 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001341785310 1332284154 /nfs/dbraw/zinc/28/41/54/1332284154.db2.gz ANCTZQLQAJGNAL-CYBMUJFWSA-N 1 0 339.823 2.911 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001342016545 1332295041 /nfs/dbraw/zinc/29/50/41/1332295041.db2.gz WMCNEYSJJSTCRN-AWEZNQCLSA-N 1 0 335.429 2.721 20 5 EFBDRO [NH3+]C[C@@H]1CCCC12CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC001342090385 1332303638 /nfs/dbraw/zinc/30/36/38/1332303638.db2.gz UOJQCJFBFFLYOS-INIZCTEOSA-N 1 0 345.443 2.895 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342943863 1332336921 /nfs/dbraw/zinc/33/69/21/1332336921.db2.gz MJLILWGZEDNURM-SCLBCKFNSA-N 1 0 339.395 2.702 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC12CCC2)c1ccccc1[N+](=O)[O-] ZINC001342943896 1332337044 /nfs/dbraw/zinc/33/70/44/1332337044.db2.gz NBSQIIHQJZWGCU-ZFWWWQNUSA-N 1 0 331.416 2.594 20 5 EFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001343505959 1332352077 /nfs/dbraw/zinc/35/20/77/1332352077.db2.gz PLCJGFLWUAVVLV-GJZGRUSLSA-N 1 0 349.406 2.515 20 5 EFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001345606483 1332552817 /nfs/dbraw/zinc/55/28/17/1332552817.db2.gz QZVSJHORNYDZDY-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC001345957882 1332587855 /nfs/dbraw/zinc/58/78/55/1332587855.db2.gz PXKBFTCFGBHDNM-NSHDSACASA-N 1 0 334.401 2.509 20 5 EFBDRO Cc1cn2c(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC001346110850 1332600341 /nfs/dbraw/zinc/60/03/41/1332600341.db2.gz WHRQTLGKECWHBA-HNNXBMFYSA-N 1 0 346.412 2.744 20 5 EFBDRO O=[N+]([O-])CC[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC001346150344 1332604821 /nfs/dbraw/zinc/60/48/21/1332604821.db2.gz LJHTVFWQOPGBIG-UHFFFAOYSA-N 1 0 329.731 2.712 20 5 EFBDRO C[C@](O)(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001346250594 1332618034 /nfs/dbraw/zinc/61/80/34/1332618034.db2.gz GBSSJFNMJJSDRE-MSOLQXFVSA-N 1 0 330.384 2.516 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001346249717 1332618284 /nfs/dbraw/zinc/61/82/84/1332618284.db2.gz XQISFGCQCBCWCO-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001346263793 1332620268 /nfs/dbraw/zinc/62/02/68/1332620268.db2.gz JHAUAFYREPQAAL-YJBOKZPZSA-N 1 0 333.432 2.625 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346451510 1332642782 /nfs/dbraw/zinc/64/27/82/1332642782.db2.gz DFYSHSIXCZFNNK-IRXDYDNUSA-N 1 0 344.415 2.637 20 5 EFBDRO COc1c(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cccc1[N+](=O)[O-] ZINC001346651165 1332668400 /nfs/dbraw/zinc/66/84/00/1332668400.db2.gz CJMPBAFUFRIXNL-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001346854605 1332696965 /nfs/dbraw/zinc/69/69/65/1332696965.db2.gz DOJTXKIGEVHGSO-ZIAGYGMSSA-N 1 0 349.431 2.903 20 5 EFBDRO Cc1cccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001347279128 1332730995 /nfs/dbraw/zinc/73/09/95/1332730995.db2.gz PYCFBICSUZKQEB-MRXNPFEDSA-N 1 0 343.358 2.829 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC001347890621 1332782207 /nfs/dbraw/zinc/78/22/07/1332782207.db2.gz OWBSAIOWXHJCTE-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO Nc1cc(NCC2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC001347957161 1332788521 /nfs/dbraw/zinc/78/85/21/1332788521.db2.gz XQMBBYPUQPNEFT-UHFFFAOYSA-N 1 0 347.444 2.958 20 5 EFBDRO COc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001348222886 1332813920 /nfs/dbraw/zinc/81/39/20/1332813920.db2.gz IKYTWCWGWRJHOT-YRGRVCCFSA-N 1 0 333.388 2.662 20 5 EFBDRO COc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001348222885 1332813935 /nfs/dbraw/zinc/81/39/35/1332813935.db2.gz IKYTWCWGWRJHOT-SCRDCRAPSA-N 1 0 333.388 2.662 20 5 EFBDRO CCN1CCO[C@@H](c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)C1 ZINC001348609737 1332853024 /nfs/dbraw/zinc/85/30/24/1332853024.db2.gz XPWKSBWIZGIPTR-CQSZACIVSA-N 1 0 332.360 2.655 20 5 EFBDRO Cc1cocc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001349895864 1333010885 /nfs/dbraw/zinc/01/08/85/1333010885.db2.gz HFSIOSHGVIUENR-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001351128062 1333183752 /nfs/dbraw/zinc/18/37/52/1333183752.db2.gz RFPFAKVSPQTWLK-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001351666918 1333265388 /nfs/dbraw/zinc/26/53/88/1333265388.db2.gz RIJZQVHVRHXGQF-INIZCTEOSA-N 1 0 346.431 2.753 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001351940756 1333328743 /nfs/dbraw/zinc/32/87/43/1333328743.db2.gz YXLLVKOOTHTISM-ROUUACIJSA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000847254937 1333449362 /nfs/dbraw/zinc/44/93/62/1333449362.db2.gz HXUKAIDLRVLMMB-ZIAGYGMSSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000847255364 1333450812 /nfs/dbraw/zinc/45/08/12/1333450812.db2.gz KOZFYRKVVKXGNC-UONOGXRCSA-N 1 0 339.342 2.620 20 5 EFBDRO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001354265675 1334202303 /nfs/dbraw/zinc/20/23/03/1334202303.db2.gz ACBNIMNEEZIBFW-YGRLFVJLSA-N 1 0 328.363 2.579 20 5 EFBDRO O=C(Cc1ccoc1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002662291 1334581477 /nfs/dbraw/zinc/58/14/77/1334581477.db2.gz MSKBGQCZPUOADT-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO O=C(Cc1ccoc1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002662603 1334582126 /nfs/dbraw/zinc/58/21/26/1334582126.db2.gz UZEDUIBCVBXDRA-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC001002680215 1334617862 /nfs/dbraw/zinc/61/78/62/1334617862.db2.gz MGGZOXSJENMYRK-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO COCC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848478055 1334735859 /nfs/dbraw/zinc/73/58/59/1334735859.db2.gz AYZMERZRVIAYCV-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487228 1334743163 /nfs/dbraw/zinc/74/31/63/1334743163.db2.gz POOVZIUBTGQPFZ-KRWDZBQOSA-N 1 0 330.388 2.917 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000848486632 1334743697 /nfs/dbraw/zinc/74/36/97/1334743697.db2.gz HVYCRXLANAUDOM-UHFFFAOYSA-N 1 0 328.372 2.671 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000848495999 1334752009 /nfs/dbraw/zinc/75/20/09/1334752009.db2.gz UETYBTABUNZASU-UHFFFAOYSA-N 1 0 331.420 2.708 20 5 EFBDRO CCOC(=O)CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000848501570 1334760618 /nfs/dbraw/zinc/76/06/18/1334760618.db2.gz KGTBUHDLZWOECZ-UHFFFAOYSA-N 1 0 334.376 2.566 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848533719 1334780676 /nfs/dbraw/zinc/78/06/76/1334780676.db2.gz MVFJSEKHRPKTSN-HNNXBMFYSA-N 1 0 339.823 2.591 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000848537108 1334782113 /nfs/dbraw/zinc/78/21/13/1334782113.db2.gz ZRRCGRRGTDPNMP-UCLAIMLFSA-N 1 0 342.395 2.656 20 5 EFBDRO Cc1cc(Cc2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623631 1334816406 /nfs/dbraw/zinc/81/64/06/1334816406.db2.gz KRCXZCSPCSEQSC-CXAGYDPISA-N 1 0 328.372 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848656302 1334827215 /nfs/dbraw/zinc/82/72/15/1334827215.db2.gz KEBAEUFGDROABO-LSDHHAIUSA-N 1 0 334.445 2.898 20 5 EFBDRO CC[N@H+](C)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848675137 1334835374 /nfs/dbraw/zinc/83/53/74/1334835374.db2.gz RLKCMJHZTMKZLR-JTQLQIEISA-N 1 0 327.431 2.609 20 5 EFBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000849081249 1335071796 /nfs/dbraw/zinc/07/17/96/1335071796.db2.gz OPPUWNFNBHCPMS-UHFFFAOYSA-N 1 0 335.314 2.921 20 5 EFBDRO COc1ccc(CCNC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000849085945 1335072363 /nfs/dbraw/zinc/07/23/63/1335072363.db2.gz DKTBPXMRIKIREH-UHFFFAOYSA-N 1 0 342.399 2.503 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001357313478 1335299359 /nfs/dbraw/zinc/29/93/59/1335299359.db2.gz FGVFFWOARRKWBG-CYBMUJFWSA-N 1 0 340.811 2.532 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001358144080 1335363232 /nfs/dbraw/zinc/36/32/32/1335363232.db2.gz XNRUXZBTUWUISN-ZDUSSCGKSA-N 1 0 327.384 2.848 20 5 EFBDRO CCc1ccc(C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001358375000 1335374941 /nfs/dbraw/zinc/37/49/41/1335374941.db2.gz ORFZLEJEGQFKGI-UHFFFAOYSA-N 1 0 333.432 2.994 20 5 EFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C[NH2+]1 ZINC000235371719 1418282956 /nfs/dbraw/zinc/28/29/56/1418282956.db2.gz UQACUEOKMGMZBA-ZJUUUORDSA-N 1 0 328.210 2.540 20 5 EFBDRO CC[NH2+]CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000261955620 1426292912 /nfs/dbraw/zinc/29/29/12/1426292912.db2.gz WZZIRWLEBSHHRX-UHFFFAOYSA-N 1 0 332.326 2.835 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CCC1 ZINC001020440658 713007421 /nfs/dbraw/zinc/00/74/21/713007421.db2.gz MZWJCMJGORLAFW-HDJSIYSDSA-N 1 0 349.456 2.973 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001020489872 713071748 /nfs/dbraw/zinc/07/17/48/713071748.db2.gz GYACGODJUZAHEZ-HAQNSBGRSA-N 1 0 335.385 2.608 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC=CC1 ZINC001020544000 713129236 /nfs/dbraw/zinc/12/92/36/713129236.db2.gz FHPKCDUPRRUHEI-SHTZXODSSA-N 1 0 329.400 2.688 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)[nH]1 ZINC001020559364 713181457 /nfs/dbraw/zinc/18/14/57/713181457.db2.gz DPOBQLOORTWJDB-HAQNSBGRSA-N 1 0 348.790 2.627 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccc(F)c1 ZINC001021791091 714479642 /nfs/dbraw/zinc/47/96/42/714479642.db2.gz XMPIRKUTJWICOW-OKILXGFUSA-N 1 0 349.387 2.846 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001021804301 714494816 /nfs/dbraw/zinc/49/48/16/714494816.db2.gz ZRGMMDVALNLZHH-TXEJJXNPSA-N 1 0 335.385 2.608 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(Cl)c[nH]1 ZINC001021831147 714547540 /nfs/dbraw/zinc/54/75/40/714547540.db2.gz BCSXTOKEMKCUGW-BETUJISGSA-N 1 0 348.790 2.627 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021839393 714554543 /nfs/dbraw/zinc/55/45/43/714554543.db2.gz YJIOHCFATDLRDY-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001021938643 714605965 /nfs/dbraw/zinc/60/59/65/714605965.db2.gz KAUDNLDCOYXLCJ-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001022057576 714705989 /nfs/dbraw/zinc/70/59/89/714705989.db2.gz PEQQDWNLOIVWPQ-OKILXGFUSA-N 1 0 335.429 2.894 20 5 EFBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)=C1CCC1 ZINC001022057841 714706197 /nfs/dbraw/zinc/70/61/97/714706197.db2.gz YXIGHYKSJGJVEA-IYBDPMFKSA-N 1 0 329.400 2.832 20 5 EFBDRO CS(=O)(=O)NCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000051188442 714753370 /nfs/dbraw/zinc/75/33/70/714753370.db2.gz WKAOURYJAGEDGJ-UHFFFAOYSA-N 1 0 328.437 2.632 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000891493864 714783357 /nfs/dbraw/zinc/78/33/57/714783357.db2.gz YPVPYLIZECOSAE-CYBMUJFWSA-N 1 0 332.360 2.840 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000121473945 714829661 /nfs/dbraw/zinc/82/96/61/714829661.db2.gz WZLARISVCBXWGZ-GASCZTMLSA-N 1 0 333.432 2.704 20 5 EFBDRO CCC[NH+]1CCC(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891577339 714831990 /nfs/dbraw/zinc/83/19/90/714831990.db2.gz CDYQIXXDPYAZSB-UHFFFAOYSA-N 1 0 344.415 2.733 20 5 EFBDRO CN(Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCC[N@@H+]1C ZINC000234347511 714914150 /nfs/dbraw/zinc/91/41/50/714914150.db2.gz VDJGOJDDAFORBG-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC001022334221 715019719 /nfs/dbraw/zinc/01/97/19/715019719.db2.gz KWCSKMCWGKKCDA-OKILXGFUSA-N 1 0 335.379 2.614 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891888863 715093843 /nfs/dbraw/zinc/09/38/43/715093843.db2.gz JDPPGZHMUKQNKP-UHFFFAOYSA-N 1 0 329.404 2.713 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000891893171 715096559 /nfs/dbraw/zinc/09/65/59/715096559.db2.gz RKYQEKPONKZJTC-UHFFFAOYSA-N 1 0 331.376 2.586 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001022509557 715192815 /nfs/dbraw/zinc/19/28/15/715192815.db2.gz RKJNKFRCXDEPQE-GASCZTMLSA-N 1 0 331.416 2.912 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000891968000 715193741 /nfs/dbraw/zinc/19/37/41/715193741.db2.gz SFKFXKJMXKYVJF-CYBMUJFWSA-N 1 0 344.415 2.591 20 5 EFBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000121268812 715212217 /nfs/dbraw/zinc/21/22/17/715212217.db2.gz JGDLQECLHAZFLN-YOEHRIQHSA-N 1 0 343.431 2.627 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000934166448 715237064 /nfs/dbraw/zinc/23/70/64/715237064.db2.gz RBKVJRHPHDTQOW-GUIRCDHDSA-N 1 0 335.404 2.788 20 5 EFBDRO Cc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000892135517 715269533 /nfs/dbraw/zinc/26/95/33/715269533.db2.gz TWZCOGOHHCLXMI-HNNXBMFYSA-N 1 0 329.404 2.886 20 5 EFBDRO Cc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000892135518 715269627 /nfs/dbraw/zinc/26/96/27/715269627.db2.gz TWZCOGOHHCLXMI-OAHLLOKOSA-N 1 0 329.404 2.886 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934236885 715273955 /nfs/dbraw/zinc/27/39/55/715273955.db2.gz SVUJEZGPACZHML-STQMWFEESA-N 1 0 328.372 2.538 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934236883 715274070 /nfs/dbraw/zinc/27/40/70/715274070.db2.gz SVUJEZGPACZHML-QWHCGFSZSA-N 1 0 328.372 2.538 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934237148 715274146 /nfs/dbraw/zinc/27/41/46/715274146.db2.gz UJRQBCPQDVLHBS-TZMCWYRMSA-N 1 0 342.399 2.846 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934236370 715274419 /nfs/dbraw/zinc/27/44/19/715274419.db2.gz NZWVITRNUUAIJB-LLVKDONJSA-N 1 0 348.790 2.803 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC=CC1 ZINC001022653020 715275857 /nfs/dbraw/zinc/27/58/57/715275857.db2.gz FHPKCDUPRRUHEI-GASCZTMLSA-N 1 0 329.400 2.688 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)[nH]1 ZINC001022671239 715283699 /nfs/dbraw/zinc/28/36/99/715283699.db2.gz OKKIUUFGXLSNKG-TXEJJXNPSA-N 1 0 348.790 2.627 20 5 EFBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022675629 715287705 /nfs/dbraw/zinc/28/77/05/715287705.db2.gz MJTWOUBLAXMUNM-BETUJISGSA-N 1 0 349.412 2.537 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934321539 715334960 /nfs/dbraw/zinc/33/49/60/715334960.db2.gz CWJSUANDSRBXSN-SPUZQDLCSA-N 1 0 343.427 2.784 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000934398100 715449801 /nfs/dbraw/zinc/44/98/01/715449801.db2.gz RLSNIFNJNLDWMQ-WDEREUQCSA-N 1 0 335.429 2.672 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438365 715474382 /nfs/dbraw/zinc/47/43/82/715474382.db2.gz OWJSGVLRWZHFKB-SJLPKXTDSA-N 1 0 342.395 2.509 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001023013095 716081147 /nfs/dbraw/zinc/08/11/47/716081147.db2.gz FPWDCIUXWGUBGK-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176785595 716182284 /nfs/dbraw/zinc/18/22/84/716182284.db2.gz JAZRKKABXBQLDO-AAEUAGOBSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176785609 716182320 /nfs/dbraw/zinc/18/23/20/716182320.db2.gz JAZRKKABXBQLDO-WCQYABFASA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000176790540 716188465 /nfs/dbraw/zinc/18/84/65/716188465.db2.gz BSEJJFUWDPZELK-CYBMUJFWSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000176791966 716197496 /nfs/dbraw/zinc/19/74/96/716197496.db2.gz GTTCQYPLKXYCDS-ZDUSSCGKSA-N 1 0 337.395 2.893 20 5 EFBDRO C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H]1CO ZINC000235336882 717333123 /nfs/dbraw/zinc/33/31/23/717333123.db2.gz KGBDUJQMTBVLPR-BXKDBHETSA-N 1 0 329.194 2.560 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177053449 717453784 /nfs/dbraw/zinc/45/37/84/717453784.db2.gz MXPJUUNZUFVDLS-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO COc1c(O)ccc(CNCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892448630 717516452 /nfs/dbraw/zinc/51/64/52/717516452.db2.gz COYLBKOHKBDHMS-ZDUSSCGKSA-N 1 0 337.420 2.663 20 5 EFBDRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892461261 717634465 /nfs/dbraw/zinc/63/44/65/717634465.db2.gz FOMAAWXIQZCJIA-UHFFFAOYSA-N 1 0 346.383 2.958 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000892523662 718209166 /nfs/dbraw/zinc/20/91/66/718209166.db2.gz BISIWYUFENQTSW-UHFFFAOYSA-N 1 0 349.822 2.898 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCO[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892580051 718305528 /nfs/dbraw/zinc/30/55/28/718305528.db2.gz ZIKHFFUZSKONAC-DOMZBBRYSA-N 1 0 338.404 2.994 20 5 EFBDRO COc1c(O)ccc(CN[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892668286 718411963 /nfs/dbraw/zinc/41/19/63/718411963.db2.gz FUFQJDLTLOFOFI-OLZOCXBDSA-N 1 0 337.420 2.519 20 5 EFBDRO O=C(CC1CC1)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981578017 718840518 /nfs/dbraw/zinc/84/05/18/718840518.db2.gz LTVWNJRQOJFSGK-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000893642225 719009148 /nfs/dbraw/zinc/00/91/48/719009148.db2.gz MTQDJCDCOMQEGX-SJORKVTESA-N 1 0 336.388 2.604 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000136159416 719193825 /nfs/dbraw/zinc/19/38/25/719193825.db2.gz JXXOKXHUKNMQAF-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892845207 719232234 /nfs/dbraw/zinc/23/22/34/719232234.db2.gz AYMQQAYSBALFHW-DZGCQCFKSA-N 1 0 329.404 2.793 20 5 EFBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000892845210 719232308 /nfs/dbraw/zinc/23/23/08/719232308.db2.gz AYMQQAYSBALFHW-ZFWWWQNUSA-N 1 0 329.404 2.793 20 5 EFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351504602 719242821 /nfs/dbraw/zinc/24/28/21/719242821.db2.gz BTZOGOHKKMPBJY-KBPBESRZSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892935066 719289945 /nfs/dbraw/zinc/28/99/45/719289945.db2.gz DFQXLWYSWHCBIU-AWEZNQCLSA-N 1 0 335.452 2.809 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+](C[C@@H]3CCOC3)C3CC3)c2)cc1 ZINC000103457802 719303753 /nfs/dbraw/zinc/30/37/53/719303753.db2.gz FAFQHGDEEYEYLY-AWEZNQCLSA-N 1 0 342.399 2.917 20 5 EFBDRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)C1 ZINC001025764711 719310391 /nfs/dbraw/zinc/31/03/91/719310391.db2.gz CSKAQEVGQHLWRU-FVQHAEBGSA-N 1 0 343.427 2.577 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cc(Cl)c[nH]1 ZINC001019986053 719425735 /nfs/dbraw/zinc/42/57/35/719425735.db2.gz ZZZAFUQSTFEGEU-JOCQHMNTSA-N 1 0 348.790 2.627 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOC1CCOCC1 ZINC000893018565 719470588 /nfs/dbraw/zinc/47/05/88/719470588.db2.gz JUFVJWCOMCWMQS-UHFFFAOYSA-N 1 0 328.796 2.924 20 5 EFBDRO CN(C)[C@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000893098356 719636561 /nfs/dbraw/zinc/63/65/61/719636561.db2.gz LZMRRAQVBKUJKZ-AWEZNQCLSA-N 1 0 329.853 2.775 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1[N+](=O)[O-] ZINC000893210655 720059728 /nfs/dbraw/zinc/05/97/28/720059728.db2.gz RHAOFQKTEUGSDK-VUCTXSBTSA-N 1 0 348.399 2.746 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000893801587 720092859 /nfs/dbraw/zinc/09/28/59/720092859.db2.gz JHOUAGSWHIGJOH-HYVNUMGLSA-N 1 0 331.416 2.687 20 5 EFBDRO CC(C)Oc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000893865047 720130496 /nfs/dbraw/zinc/13/04/96/720130496.db2.gz FKUMUVILKHCNJB-OAHLLOKOSA-N 1 0 347.419 2.830 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893913414 720157698 /nfs/dbraw/zinc/15/76/98/720157698.db2.gz GJZVOYAHIYVYAT-GFCCVEGCSA-N 1 0 332.404 2.587 20 5 EFBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000893958352 720184475 /nfs/dbraw/zinc/18/44/75/720184475.db2.gz AQTLQRXHXSZVFS-LBPRGKRZSA-N 1 0 334.376 2.814 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000893964738 720186503 /nfs/dbraw/zinc/18/65/03/720186503.db2.gz TVCXXSZFTSUWSG-GOSISDBHSA-N 1 0 347.415 2.612 20 5 EFBDRO CSc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000893999246 720213247 /nfs/dbraw/zinc/21/32/47/720213247.db2.gz DKQULAHCSGONBG-CYBMUJFWSA-N 1 0 335.433 2.765 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721413 720334480 /nfs/dbraw/zinc/33/44/80/720334480.db2.gz BYQMKXOABCVMSD-IRXDYDNUSA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727280 720334866 /nfs/dbraw/zinc/33/48/66/720334866.db2.gz SQISWBFUSFNCMJ-CVEARBPZSA-N 1 0 339.399 2.546 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000893320104 720603486 /nfs/dbraw/zinc/60/34/86/720603486.db2.gz LFRPPSDRCZFTLA-HNNXBMFYSA-N 1 0 345.399 2.702 20 5 EFBDRO COc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261730084 720886316 /nfs/dbraw/zinc/88/63/16/720886316.db2.gz LWSXZBYWJRANLM-JKSUJKDBSA-N 1 0 327.384 2.530 20 5 EFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc([N+](=O)[O-])n1)[C@H]2C ZINC001164863376 720936285 /nfs/dbraw/zinc/93/62/85/720936285.db2.gz ZOGSWPDZKKMQSJ-ZDUSSCGKSA-N 1 0 344.419 2.608 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000261809584 721706677 /nfs/dbraw/zinc/70/66/77/721706677.db2.gz SFLBXUUQGVLXOY-WCQYABFASA-N 1 0 340.221 2.541 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2[NH2+]CCc3ccccc32)nc2sccn21 ZINC000261810832 721713854 /nfs/dbraw/zinc/71/38/54/721713854.db2.gz GNGBRTZPDRORAH-GFCCVEGCSA-N 1 0 329.385 2.603 20 5 EFBDRO Cn1c2ccccc2c(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC000894247180 721720426 /nfs/dbraw/zinc/72/04/26/721720426.db2.gz STERODKMVBCJRD-UHFFFAOYSA-N 1 0 344.415 2.731 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC000982970725 721742177 /nfs/dbraw/zinc/74/21/77/721742177.db2.gz WDNXUHTZFBZDMF-KOMQPUFPSA-N 1 0 331.416 2.769 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001165035774 721888140 /nfs/dbraw/zinc/88/81/40/721888140.db2.gz QAGXDMCYYITZSV-VIFPVBQESA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001165034484 721888940 /nfs/dbraw/zinc/88/89/40/721888940.db2.gz GIVAIKSYXMMVAY-NSHDSACASA-N 1 0 335.795 2.722 20 5 EFBDRO CC[NH+](CC)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165053938 722002288 /nfs/dbraw/zinc/00/22/88/722002288.db2.gz SRBDVTCOAGJPDI-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO CC[NH+](CC)C1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165052945 722002291 /nfs/dbraw/zinc/00/22/91/722002291.db2.gz GDVZVPBVGDGZSS-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC=CC1 ZINC000983370045 722083089 /nfs/dbraw/zinc/08/30/89/722083089.db2.gz BMVZPZHJFFVQCT-SAZUREKKSA-N 1 0 329.400 2.545 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894408913 722713773 /nfs/dbraw/zinc/71/37/73/722713773.db2.gz WJLUTVSLFKRKRK-UHFFFAOYSA-N 1 0 337.420 2.617 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000894412213 722719534 /nfs/dbraw/zinc/71/95/34/722719534.db2.gz ILFKRBVISLJIME-TZMCWYRMSA-N 1 0 338.404 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000917582670 728762683 /nfs/dbraw/zinc/76/26/83/728762683.db2.gz LBBFVCSTHRQHQI-UHFFFAOYSA-N 1 0 334.445 2.756 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894529207 722773026 /nfs/dbraw/zinc/77/30/26/722773026.db2.gz ZOMOEQMCKUNDLS-LBPRGKRZSA-N 1 0 325.409 2.519 20 5 EFBDRO COc1c(O)ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894901006 723018487 /nfs/dbraw/zinc/01/84/87/723018487.db2.gz PHPCLOOGTKEDSL-LSDHHAIUSA-N 1 0 344.367 2.617 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841230527 723019416 /nfs/dbraw/zinc/01/94/16/723019416.db2.gz VPNYHXNFTRXCGU-UHFFFAOYSA-N 1 0 336.392 2.727 20 5 EFBDRO C[NH+](C)CC1(O)CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC000894954205 723037122 /nfs/dbraw/zinc/03/71/22/723037122.db2.gz KLVVKAKOINTVQD-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO COc1c(O)ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1[N+](=O)[O-] ZINC000895012001 723049731 /nfs/dbraw/zinc/04/97/31/723049731.db2.gz KDTHPUJVHFYYLE-GOSISDBHSA-N 1 0 346.383 2.649 20 5 EFBDRO O=C(c1ccoc1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001029211779 723088934 /nfs/dbraw/zinc/08/89/34/723088934.db2.gz RHDJIIVRUASJSV-CALCHBBNSA-N 1 0 341.367 2.677 20 5 EFBDRO C[NH2+]C1(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000895059293 723112074 /nfs/dbraw/zinc/11/20/74/723112074.db2.gz SDXRSEUCBVZXFA-UHFFFAOYSA-N 1 0 344.415 2.781 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917836949 728793571 /nfs/dbraw/zinc/79/35/71/728793571.db2.gz DEQOMEPPQFCPPJ-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000909434871 723179942 /nfs/dbraw/zinc/17/99/42/723179942.db2.gz YHXQBYVBNFPDRT-UHFFFAOYSA-N 1 0 343.786 2.992 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000262119451 723280704 /nfs/dbraw/zinc/28/07/04/723280704.db2.gz KQDQREXWQWNCAM-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCC1 ZINC000984123832 723467127 /nfs/dbraw/zinc/46/71/27/723467127.db2.gz LHMMHKJTOYYPTH-CTYIDZIISA-N 1 0 349.406 2.862 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CC2)C1 ZINC000984779223 723472532 /nfs/dbraw/zinc/47/25/32/723472532.db2.gz DIJGIICTPGASIZ-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO CC(C)[N@H+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738091048 723541815 /nfs/dbraw/zinc/54/18/15/723541815.db2.gz SGAUDAAYMUCWLJ-UHFFFAOYSA-N 1 0 345.447 2.954 20 5 EFBDRO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249724 723938289 /nfs/dbraw/zinc/93/82/89/723938289.db2.gz VADKNPQETWQUDN-ZWNOBZJWSA-N 1 0 346.353 2.660 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000897016579 723946477 /nfs/dbraw/zinc/94/64/77/723946477.db2.gz JEHKBCALEKJJDF-CABCVRRESA-N 1 0 331.416 2.768 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC000895271735 723963941 /nfs/dbraw/zinc/96/39/41/723963941.db2.gz RCGLXVLGJAAHJJ-AWEZNQCLSA-N 1 0 340.383 2.649 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897063601 723976287 /nfs/dbraw/zinc/97/62/87/723976287.db2.gz DPOCWAFLCDHIKS-MRXNPFEDSA-N 1 0 331.416 2.959 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985202675 723977514 /nfs/dbraw/zinc/97/75/14/723977514.db2.gz VVTJBMBJJITMMX-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000895279156 723977953 /nfs/dbraw/zinc/97/79/53/723977953.db2.gz RMQDTEODJBLEKD-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000897068929 723979080 /nfs/dbraw/zinc/97/90/80/723979080.db2.gz PKHINDBBJPVATR-INIZCTEOSA-N 1 0 330.388 2.606 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000985214381 723992406 /nfs/dbraw/zinc/99/24/06/723992406.db2.gz AMVJVJGEXLNZAQ-UHFFFAOYSA-N 1 0 349.412 2.986 20 5 EFBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895330422 724042803 /nfs/dbraw/zinc/04/28/03/724042803.db2.gz LVHZGMIHJSGBRC-PBHICJAKSA-N 1 0 348.424 2.641 20 5 EFBDRO Cc1cn(C[N@@H+](C)[C@H](C)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707749 724142167 /nfs/dbraw/zinc/14/21/67/724142167.db2.gz NECMYWJSKNWPRI-CQSZACIVSA-N 1 0 332.404 2.789 20 5 EFBDRO Cc1cn(C[N@@H+](C)[C@@H](C)C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707748 724142270 /nfs/dbraw/zinc/14/22/70/724142270.db2.gz NECMYWJSKNWPRI-AWEZNQCLSA-N 1 0 332.404 2.789 20 5 EFBDRO CCC[NH+](CCC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000728708155 724142693 /nfs/dbraw/zinc/14/26/93/724142693.db2.gz XVMUDQARSHWRGR-UHFFFAOYSA-N 1 0 332.404 2.935 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000985346692 724152114 /nfs/dbraw/zinc/15/21/14/724152114.db2.gz QHZBXIBGQOIGJW-TWGQIWQCSA-N 1 0 343.427 2.984 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000985351535 724157210 /nfs/dbraw/zinc/15/72/10/724157210.db2.gz FKAMHZWWFSTEAZ-UHFFFAOYSA-N 1 0 343.427 2.984 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985367427 724175377 /nfs/dbraw/zinc/17/53/77/724175377.db2.gz GSZNMXRNXGDTGE-LNKIKWGQSA-N 1 0 331.416 2.984 20 5 EFBDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706924 724266197 /nfs/dbraw/zinc/26/61/97/724266197.db2.gz AFCHPCJYCYLGOL-KTRBRXNASA-N 1 0 334.294 2.528 20 5 EFBDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895711118 724270365 /nfs/dbraw/zinc/27/03/65/724270365.db2.gz YPTMPRDUHPANFY-SBDDDAINSA-N 1 0 334.294 2.528 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925234407 725021624 /nfs/dbraw/zinc/02/16/24/725021624.db2.gz LEELVFDYBYIBEB-CZUORRHYSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925236983 725026619 /nfs/dbraw/zinc/02/66/19/725026619.db2.gz MWDPMLXFVGMNTJ-KGLIPLIRSA-N 1 0 334.420 2.639 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCC1 ZINC001059779591 725604885 /nfs/dbraw/zinc/60/48/85/725604885.db2.gz UFTDEXXOYVHOSU-GASCZTMLSA-N 1 0 346.431 2.528 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000913881148 725917815 /nfs/dbraw/zinc/91/78/15/725917815.db2.gz NNWLELFJTZZYGZ-CYBMUJFWSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000913982041 725974838 /nfs/dbraw/zinc/97/48/38/725974838.db2.gz WNHNSAIJGBZNEF-GFCCVEGCSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000914074609 726025957 /nfs/dbraw/zinc/02/59/57/726025957.db2.gz IYHHTIAKSNCCKO-CQSZACIVSA-N 1 0 334.420 2.687 20 5 EFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000232784307 726296844 /nfs/dbraw/zinc/29/68/44/726296844.db2.gz FOXKPPURKWKHSZ-GHMZBOCLSA-N 1 0 329.194 2.606 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731209449 726822843 /nfs/dbraw/zinc/82/28/43/726822843.db2.gz ZERABLUKRSMDRW-UHFFFAOYSA-N 1 0 349.460 2.642 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907924684 727055332 /nfs/dbraw/zinc/05/53/32/727055332.db2.gz KHDRZCYFPVFPSY-LLVKDONJSA-N 1 0 343.786 2.944 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908415727 727182007 /nfs/dbraw/zinc/18/20/07/727182007.db2.gz XAIPGORRNBEZMF-GZMMTYOYSA-N 1 0 329.759 2.552 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908576225 727219921 /nfs/dbraw/zinc/21/99/21/727219921.db2.gz CLZVZPJQZLRUCZ-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000908917633 727282710 /nfs/dbraw/zinc/28/27/10/727282710.db2.gz YMCBXYOQLINXNV-UHFFFAOYSA-N 1 0 343.786 2.944 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910297941 727431514 /nfs/dbraw/zinc/43/15/14/727431514.db2.gz NVOAPBWQYLRRSI-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000911820150 727602976 /nfs/dbraw/zinc/60/29/76/727602976.db2.gz CNJQPIMDRMOOIG-XHDPSFHLSA-N 1 0 339.823 2.767 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000911865302 727608167 /nfs/dbraw/zinc/60/81/67/727608167.db2.gz WTKNIWWNIRNSEQ-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000153861111 727658130 /nfs/dbraw/zinc/65/81/30/727658130.db2.gz HAOHXVQJTLQMCY-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO CC[NH+](CC)CCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000912577123 727726751 /nfs/dbraw/zinc/72/67/51/727726751.db2.gz AVUNTINCSFBFTR-UHFFFAOYSA-N 1 0 345.193 2.856 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000912811282 727747304 /nfs/dbraw/zinc/74/73/04/727747304.db2.gz HMHRHIHEKKUSSA-MLGOLLRUSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000912812891 727747744 /nfs/dbraw/zinc/74/77/44/727747744.db2.gz CCFFMTMHPMCHNH-WBMJQRKESA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000912813615 727748431 /nfs/dbraw/zinc/74/84/31/727748431.db2.gz LWLCXIJNPCXNQE-YPMHNXCESA-N 1 0 325.434 2.849 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000917012263 727754669 /nfs/dbraw/zinc/75/46/69/727754669.db2.gz DQJVDZSQAFZHCE-UHFFFAOYSA-N 1 0 346.431 2.775 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000917069202 727763858 /nfs/dbraw/zinc/76/38/58/727763858.db2.gz LZSFNFBYVOWZQX-ZDUSSCGKSA-N 1 0 346.431 2.631 20 5 EFBDRO CCNC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000917137544 727776125 /nfs/dbraw/zinc/77/61/25/727776125.db2.gz SBQNTAIYOQQINI-UHFFFAOYSA-N 1 0 327.384 2.943 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103178 727783183 /nfs/dbraw/zinc/78/31/83/727783183.db2.gz KTLDPKGOOAGSEZ-UKRRQHHQSA-N 1 0 343.383 2.828 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103177 727783245 /nfs/dbraw/zinc/78/32/45/727783245.db2.gz KTLDPKGOOAGSEZ-HIFRSBDPSA-N 1 0 343.383 2.828 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC000913293146 727818075 /nfs/dbraw/zinc/81/80/75/727818075.db2.gz JNOJXVAXTXFOGP-CALCHBBNSA-N 1 0 349.456 2.731 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165829362 728072331 /nfs/dbraw/zinc/07/23/31/728072331.db2.gz UVUCNMOCRDELSU-ZJUUUORDSA-N 1 0 343.225 2.990 20 5 EFBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000841102414 728302515 /nfs/dbraw/zinc/30/25/15/728302515.db2.gz BXVCJCULPVXCDH-BXKDBHETSA-N 1 0 326.784 2.839 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2cnccn2)cc1Br ZINC000877131971 728309746 /nfs/dbraw/zinc/30/97/46/728309746.db2.gz QBMXBPGSJFJASD-UHFFFAOYSA-N 1 0 343.206 2.541 20 5 EFBDRO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000063496344 728628342 /nfs/dbraw/zinc/62/83/42/728628342.db2.gz HUDWFULVLBSDBW-UHFFFAOYSA-N 1 0 343.811 2.791 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000919492720 729038198 /nfs/dbraw/zinc/03/81/98/729038198.db2.gz IKKGKHXZTHACGT-AWEZNQCLSA-N 1 0 336.388 2.781 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000919862450 729101004 /nfs/dbraw/zinc/10/10/04/729101004.db2.gz NQIIUVXRBNAOMB-KBPBESRZSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000919965128 729119216 /nfs/dbraw/zinc/11/92/16/729119216.db2.gz PEBOWOKPIJTKDT-TUAOUCFPSA-N 1 0 333.392 2.909 20 5 EFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCC[NH+](C)C ZINC000920817717 729233837 /nfs/dbraw/zinc/23/38/37/729233837.db2.gz UBAMRQDQEKUKTG-SNVBAGLBSA-N 1 0 330.768 2.510 20 5 EFBDRO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519766 729524278 /nfs/dbraw/zinc/52/42/78/729524278.db2.gz WBXMQCGELDKQBK-GJZGRUSLSA-N 1 0 337.395 2.955 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000873190699 1126118039 /nfs/dbraw/zinc/11/80/39/1126118039.db2.gz CNEIHAHQIZUEOF-MRXNPFEDSA-N 1 0 336.413 2.748 20 5 EFBDRO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001573721132 1087881741 /nfs/dbraw/zinc/88/17/41/1087881741.db2.gz XJFHUIWGDRZLFM-WDEREUQCSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575057950 1088220208 /nfs/dbraw/zinc/22/02/08/1088220208.db2.gz VKDMMSVXKRVJRG-BFQNTYOBSA-N 1 0 337.395 2.813 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001575069784 1088224405 /nfs/dbraw/zinc/22/44/05/1088224405.db2.gz NCYZGGZVUREXLI-GUYCJALGSA-N 1 0 339.395 2.529 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001575097406 1088242936 /nfs/dbraw/zinc/24/29/36/1088242936.db2.gz XDEFDEVHLGBZDM-HAQNSBGRSA-N 1 0 337.395 2.645 20 5 EFBDRO CC(C)(C(=O)N1C[C@H]([NH3+])Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001575101307 1088243467 /nfs/dbraw/zinc/24/34/67/1088243467.db2.gz XFWIDAOSXQWNEC-CQSZACIVSA-N 1 0 339.395 2.789 20 5 EFBDRO CC(C)[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@H](C)[NH3+] ZINC001575407571 1088447861 /nfs/dbraw/zinc/44/78/61/1088447861.db2.gz DIDKRVKLNJLMHP-HZMBPMFUSA-N 1 0 331.376 2.543 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001575409782 1088450879 /nfs/dbraw/zinc/45/08/79/1088450879.db2.gz IZUOWLRSDNQEPV-ZDUSSCGKSA-N 1 0 333.310 2.717 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001575689784 1088633511 /nfs/dbraw/zinc/63/35/11/1088633511.db2.gz OUNRFSXNZKQYOG-OAHLLOKOSA-N 1 0 348.447 2.905 20 5 EFBDRO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001576022561 1088861314 /nfs/dbraw/zinc/86/13/14/1088861314.db2.gz MMBHMKPUJUOPFY-RBSFLKMASA-N 1 0 348.447 2.763 20 5 EFBDRO C[C@]([NH3+])(C(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001576081719 1088913516 /nfs/dbraw/zinc/91/35/16/1088913516.db2.gz OVMXSVXKIAXADG-QGZVFWFLSA-N 1 0 347.802 2.781 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001576110387 1088938304 /nfs/dbraw/zinc/93/83/04/1088938304.db2.gz YUASUMCKTCHRIJ-XHDPSFHLSA-N 1 0 343.387 2.877 20 5 EFBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576239858 1089036963 /nfs/dbraw/zinc/03/69/63/1089036963.db2.gz SRUNVSZIWUTLHS-RISCZKNCSA-N 1 0 343.387 2.580 20 5 EFBDRO C[C@@]1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC001576330596 1089108941 /nfs/dbraw/zinc/10/89/41/1089108941.db2.gz JSMWYDYPLFDQCC-CRAIPNDOSA-N 1 0 331.416 2.691 20 5 EFBDRO CC1(C)CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[NH2+]C1 ZINC001576421116 1089215935 /nfs/dbraw/zinc/21/59/35/1089215935.db2.gz GGWMGWISXBROBO-NSHDSACASA-N 1 0 325.796 2.756 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001576470253 1089275882 /nfs/dbraw/zinc/27/58/82/1089275882.db2.gz YDRIVAULZGHUNJ-LBPRGKRZSA-N 1 0 332.385 2.655 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001576478664 1089284128 /nfs/dbraw/zinc/28/41/28/1089284128.db2.gz JDKYOKGLPUMEJI-LLVKDONJSA-N 1 0 325.796 2.756 20 5 EFBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001576682410 1089394892 /nfs/dbraw/zinc/39/48/92/1089394892.db2.gz WCAAXUDFPLPKLR-PXAZEXFGSA-N 1 0 337.395 2.690 20 5 EFBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001576682413 1089395211 /nfs/dbraw/zinc/39/52/11/1089395211.db2.gz WCAAXUDFPLPKLR-SJKOYZFVSA-N 1 0 337.395 2.690 20 5 EFBDRO C[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC001576698690 1089399534 /nfs/dbraw/zinc/39/95/34/1089399534.db2.gz PBYIZIMDNSUDCB-FZMZJTMJSA-N 1 0 339.823 2.767 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001576784169 1089459104 /nfs/dbraw/zinc/45/91/04/1089459104.db2.gz YSAWMARFKIWAIR-NXEZZACHSA-N 1 0 326.784 2.697 20 5 EFBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001576910754 1089523056 /nfs/dbraw/zinc/52/30/56/1089523056.db2.gz WACKGEITHBZFDS-SKDRFNHKSA-N 1 0 349.412 2.652 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001577052429 1089615687 /nfs/dbraw/zinc/61/56/87/1089615687.db2.gz VDKIYRIUHPGVMV-UHFFFAOYSA-N 1 0 331.376 2.782 20 5 EFBDRO CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001577439019 1089966873 /nfs/dbraw/zinc/96/68/73/1089966873.db2.gz VRAGRPNNWKTMDS-AWEZNQCLSA-N 1 0 344.419 2.581 20 5 EFBDRO CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577488885 1090003573 /nfs/dbraw/zinc/00/35/73/1090003573.db2.gz LTTSUHSWECCEBO-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001577597370 1090072003 /nfs/dbraw/zinc/07/20/03/1090072003.db2.gz ZMLSYLOFRSEQFW-LBPRGKRZSA-N 1 0 337.445 2.908 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC001578189122 1090298498 /nfs/dbraw/zinc/29/84/98/1090298498.db2.gz CMFLCWORHCBYCA-QWHCGFSZSA-N 1 0 335.404 2.958 20 5 EFBDRO CCc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC001578248997 1090317799 /nfs/dbraw/zinc/31/77/99/1090317799.db2.gz IRKFXALXIRKACC-DZGCQCFKSA-N 1 0 342.399 2.583 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001578275366 1090328033 /nfs/dbraw/zinc/32/80/33/1090328033.db2.gz KBITVABCYMODIQ-AWEZNQCLSA-N 1 0 331.347 2.726 20 5 EFBDRO CN(CCCCCC[NH3+])C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001578465277 1090379478 /nfs/dbraw/zinc/37/94/78/1090379478.db2.gz XICRLLNRMYRXJO-UHFFFAOYSA-N 1 0 330.388 2.734 20 5 EFBDRO C[NH2+]C[C@@H](C)C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC001578623562 1090411175 /nfs/dbraw/zinc/41/11/75/1090411175.db2.gz WMYGFUJICVQLSS-SNVBAGLBSA-N 1 0 334.401 2.821 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC001578760655 1090437953 /nfs/dbraw/zinc/43/79/53/1090437953.db2.gz SMRWFZUGYKSBIX-UHFFFAOYSA-N 1 0 326.356 2.535 20 5 EFBDRO CON(CC[NH3+])C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001579105849 1090519522 /nfs/dbraw/zinc/51/95/22/1090519522.db2.gz RELXPOSIOHUNAR-UHFFFAOYSA-N 1 0 347.396 2.708 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC001579179336 1090536860 /nfs/dbraw/zinc/53/68/60/1090536860.db2.gz HDAUYVHQVRZZNR-GFCCVEGCSA-N 1 0 341.367 2.696 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH3+])CCc2ccccc21 ZINC001579179943 1090537064 /nfs/dbraw/zinc/53/70/64/1090537064.db2.gz ISJBWAJJIHLHJU-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001579241575 1090557835 /nfs/dbraw/zinc/55/78/35/1090557835.db2.gz CFZPDTRTCMFBQX-QZTJIDSGSA-N 1 0 341.411 2.839 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@@H]([C@@H](C)[NH3+])C3)c2c1 ZINC001579257384 1090563809 /nfs/dbraw/zinc/56/38/09/1090563809.db2.gz DOJHVUORUZOUKR-VXGBXAGGSA-N 1 0 330.388 2.715 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[C@@H]3CCC[NH2+]CC3)c2c1 ZINC001579259800 1090565590 /nfs/dbraw/zinc/56/55/90/1090565590.db2.gz VEJXSZYEQJWPDV-CYBMUJFWSA-N 1 0 344.415 2.765 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(NCc3ccc(C[NH3+])cc3)c2c1 ZINC001579259446 1090565633 /nfs/dbraw/zinc/56/56/33/1090565633.db2.gz MMXRTURCGJZCOG-UHFFFAOYSA-N 1 0 338.367 2.644 20 5 EFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001579269205 1090571533 /nfs/dbraw/zinc/57/15/33/1090571533.db2.gz PYOJMBQRTKXSRC-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO CSc1cccc(C(=O)N2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC001579392909 1090604219 /nfs/dbraw/zinc/60/42/19/1090604219.db2.gz GCURKTXADUBXIO-SJKOYZFVSA-N 1 0 349.456 2.908 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001579482959 1090620903 /nfs/dbraw/zinc/62/09/03/1090620903.db2.gz FJKXUQIHLGDAMB-VIFPVBQESA-N 1 0 345.321 2.732 20 5 EFBDRO C[C@]1(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC[NH2+]1 ZINC001579509509 1090623967 /nfs/dbraw/zinc/62/39/67/1090623967.db2.gz XJXUCPIKFABZHF-OAHLLOKOSA-N 1 0 332.385 2.799 20 5 EFBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001579539469 1090629403 /nfs/dbraw/zinc/62/94/03/1090629403.db2.gz HSWWHYIBVKYFAL-NXEZZACHSA-N 1 0 346.309 2.504 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001579537402 1090629431 /nfs/dbraw/zinc/62/94/31/1090629431.db2.gz QLZYWZCNVMAOPR-LLVKDONJSA-N 1 0 344.346 2.506 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001579537403 1090629441 /nfs/dbraw/zinc/62/94/41/1090629441.db2.gz QLZYWZCNVMAOPR-NSHDSACASA-N 1 0 344.346 2.506 20 5 EFBDRO Cc1c(NC(=O)CC2(C[NH3+])CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579540537 1090630310 /nfs/dbraw/zinc/63/03/10/1090630310.db2.gz VFUIVKKLDDPWQV-UHFFFAOYSA-N 1 0 331.294 2.990 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001579604935 1090640966 /nfs/dbraw/zinc/64/09/66/1090640966.db2.gz GJWHDMRCGODENS-ZBEGNZNMSA-N 1 0 337.807 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC001579605647 1090641920 /nfs/dbraw/zinc/64/19/20/1090641920.db2.gz WLVNPYCSKFVFDX-ZDUSSCGKSA-N 1 0 325.796 2.804 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001579608134 1090641984 /nfs/dbraw/zinc/64/19/84/1090641984.db2.gz KPOVKIDJQJURRZ-SWLSCSKDSA-N 1 0 335.379 2.647 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC001579642396 1090648998 /nfs/dbraw/zinc/64/89/98/1090648998.db2.gz DESJBPLUIXWOLW-INIZCTEOSA-N 1 0 342.399 2.851 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC001579642781 1090649611 /nfs/dbraw/zinc/64/96/11/1090649611.db2.gz VQDGDIRDZIJEQQ-OAHLLOKOSA-N 1 0 328.372 2.508 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1C ZINC001579734239 1090674361 /nfs/dbraw/zinc/67/43/61/1090674361.db2.gz AMQFPJTZIXYRQN-CQSZACIVSA-N 1 0 325.368 2.742 20 5 EFBDRO Cc1sc(NC(=O)C[NH2+]C2CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579934284 1090725640 /nfs/dbraw/zinc/72/56/40/1090725640.db2.gz QEBMSPMGNNIFMB-UHFFFAOYSA-N 1 0 332.385 2.717 20 5 EFBDRO Cc1sc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC001579933912 1090725895 /nfs/dbraw/zinc/72/58/95/1090725895.db2.gz BIVJGSHNTUXNAV-NOZJJQNGSA-N 1 0 346.412 2.963 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001580126128 1090782014 /nfs/dbraw/zinc/78/20/14/1090782014.db2.gz FSILNOFGCQRAFK-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580133970 1090786019 /nfs/dbraw/zinc/78/60/19/1090786019.db2.gz DZJYJLCBDFCAIZ-AWEZNQCLSA-N 1 0 342.330 2.724 20 5 EFBDRO [NH3+]C[C@]12CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]1CCCC2 ZINC001580256614 1090836716 /nfs/dbraw/zinc/83/67/16/1090836716.db2.gz WOCLAUZEMAIASL-IINYFYTJSA-N 1 0 344.337 2.964 20 5 EFBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001580273209 1090845840 /nfs/dbraw/zinc/84/58/40/1090845840.db2.gz GESQVEWAXXJEKE-JTQLQIEISA-N 1 0 347.321 2.651 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001580286537 1090848718 /nfs/dbraw/zinc/84/87/18/1090848718.db2.gz IKZNEMIXKGVSQB-SNVBAGLBSA-N 1 0 345.321 2.815 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC001580287315 1090849346 /nfs/dbraw/zinc/84/93/46/1090849346.db2.gz MICRHDSNZUPYNS-UHFFFAOYSA-N 1 0 343.387 2.736 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC001580314362 1090860418 /nfs/dbraw/zinc/86/04/18/1090860418.db2.gz NHZHUVREJLARJX-UHFFFAOYSA-N 1 0 345.424 2.505 20 5 EFBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001580483892 1090915108 /nfs/dbraw/zinc/91/51/08/1090915108.db2.gz CIBWOHHZTSGHFH-ZDUSSCGKSA-N 1 0 339.342 2.509 20 5 EFBDRO O=C(NC[C@@H]1CC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001580658046 1090978576 /nfs/dbraw/zinc/97/85/76/1090978576.db2.gz HXKDHYCMOJUZBP-ZDUSSCGKSA-N 1 0 342.355 2.871 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C12CCC(CC1)[NH2+]2 ZINC001580769952 1091002551 /nfs/dbraw/zinc/00/25/51/1091002551.db2.gz FNXMSMPDDCSPJE-UHFFFAOYSA-N 1 0 340.177 2.580 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001580770316 1091004153 /nfs/dbraw/zinc/00/41/53/1091004153.db2.gz QOORBFRGKZGHEP-UHFFFAOYSA-N 1 0 349.350 2.636 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC2(C1)CC[NH2+]C2 ZINC001580770539 1091004334 /nfs/dbraw/zinc/00/43/34/1091004334.db2.gz MMNZRQUUNOTPCO-UHFFFAOYSA-N 1 0 326.356 2.575 20 5 EFBDRO O=C(Nc1ccnc([C@@H]2CCC[NH2+]2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001580785519 1091008356 /nfs/dbraw/zinc/00/83/56/1091008356.db2.gz RGWLEUIHIVTHHD-LBPRGKRZSA-N 1 0 347.762 2.715 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001580799697 1091012671 /nfs/dbraw/zinc/01/26/71/1091012671.db2.gz OSPHCVJMKJEQJR-KBPBESRZSA-N 1 0 326.356 2.612 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC12CCCCC2 ZINC001580822395 1091021368 /nfs/dbraw/zinc/02/13/68/1091021368.db2.gz QZPYBHLMEHJAOI-UHFFFAOYSA-N 1 0 337.807 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001580874958 1091030807 /nfs/dbraw/zinc/03/08/07/1091030807.db2.gz QRIWKARRNOIMDB-HZMBPMFUSA-N 1 0 329.322 2.797 20 5 EFBDRO O=[N+]([O-])c1sc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC001580876792 1091032314 /nfs/dbraw/zinc/03/23/14/1091032314.db2.gz UZAIPRPSCIYBHO-ZYHUDNBSSA-N 1 0 346.250 2.793 20 5 EFBDRO CN1Cc2cc(N3C(C)(C)CC([NH3+])CC3(C)C)cc([N+](=O)[O-])c2N1 ZINC001167627402 1093149245 /nfs/dbraw/zinc/14/92/45/1093149245.db2.gz DUCZQEPCEPLWRY-UHFFFAOYSA-N 1 0 333.436 2.852 20 5 EFBDRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589871811 1093162976 /nfs/dbraw/zinc/16/29/76/1093162976.db2.gz CCRXBDRNAJTLQV-GFCCVEGCSA-N 1 0 338.371 2.668 20 5 EFBDRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001590104711 1093270486 /nfs/dbraw/zinc/27/04/86/1093270486.db2.gz SLLRXDWAGWHQNV-UONOGXRCSA-N 1 0 342.403 2.785 20 5 EFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590189656 1093298446 /nfs/dbraw/zinc/29/84/46/1093298446.db2.gz WLZKOARPGBBJCT-UTUOFQBUSA-N 1 0 330.392 2.641 20 5 EFBDRO CC1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590231788 1093319565 /nfs/dbraw/zinc/31/95/65/1093319565.db2.gz WWYUSDAOVJXEBX-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590245012 1093331547 /nfs/dbraw/zinc/33/15/47/1093331547.db2.gz XPOZKQKWBORAAL-NEPJUHHUSA-N 1 0 330.392 2.785 20 5 EFBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590352616 1093387248 /nfs/dbraw/zinc/38/72/48/1093387248.db2.gz CGTKBQHKYAHABI-XQJDBVBESA-N 1 0 342.403 2.953 20 5 EFBDRO CCC(CC)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001590432967 1093420198 /nfs/dbraw/zinc/42/01/98/1093420198.db2.gz TXQVKNVJJYYBLG-HNNXBMFYSA-N 1 0 347.423 2.553 20 5 EFBDRO CCC(CC)[C@@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001590432242 1093420613 /nfs/dbraw/zinc/42/06/13/1093420613.db2.gz GBAUNKRDAYGHQB-OAHLLOKOSA-N 1 0 347.423 2.553 20 5 EFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590510183 1093465263 /nfs/dbraw/zinc/46/52/63/1093465263.db2.gz FNNRTRHLHASGDR-BXUZGUMPSA-N 1 0 330.392 2.833 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590849765 1093597533 /nfs/dbraw/zinc/59/75/33/1093597533.db2.gz BVGCHJVWIZVBNM-TZMCWYRMSA-N 1 0 348.432 2.539 20 5 EFBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590858401 1093605675 /nfs/dbraw/zinc/60/56/75/1093605675.db2.gz GDDGLVVBDUHHPV-NWDGAFQWSA-N 1 0 330.392 2.785 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(-c2nn[nH]n2)c1 ZINC001591122210 1093664840 /nfs/dbraw/zinc/66/48/40/1093664840.db2.gz CYWCGNCVEAYZNE-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC001591126415 1093665128 /nfs/dbraw/zinc/66/51/28/1093665128.db2.gz VCDVXGLYGZHOPO-GFCCVEGCSA-N 1 0 328.376 2.563 20 5 EFBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCCCC1 ZINC001591137044 1093669494 /nfs/dbraw/zinc/66/94/94/1093669494.db2.gz OTCNKMZPDPLXQW-UHFFFAOYSA-N 1 0 330.392 2.930 20 5 EFBDRO Cc1cccc(C[N@@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c1 ZINC001592230025 1094039884 /nfs/dbraw/zinc/03/98/84/1094039884.db2.gz ITGUSFKPAKSEMH-UHFFFAOYSA-N 1 0 338.371 2.715 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001593467226 1094309474 /nfs/dbraw/zinc/30/94/74/1094309474.db2.gz NPDWONGDJPBOED-WFASDCNBSA-N 1 0 342.403 2.930 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+]C1(C2CCC2)CCC1 ZINC001593481753 1094327196 /nfs/dbraw/zinc/32/71/96/1094327196.db2.gz KDLBTUFIYSDVIG-UHFFFAOYSA-N 1 0 328.376 2.587 20 5 EFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218393201 1094455168 /nfs/dbraw/zinc/45/51/68/1094455168.db2.gz SXCYKMDFMYGJLM-WRWORJQWSA-N 1 0 327.178 2.585 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218450301 1094800362 /nfs/dbraw/zinc/80/03/62/1094800362.db2.gz ZEYLHKNOVNUSPO-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217944537 1095053091 /nfs/dbraw/zinc/05/30/91/1095053091.db2.gz FGBQGNOLTCPIOX-MWLCHTKSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217976751 1095206037 /nfs/dbraw/zinc/20/60/37/1095206037.db2.gz LGXLIIDJDYCJEN-PWSUYJOCSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1sccc1CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167700283 1096021794 /nfs/dbraw/zinc/02/17/94/1096021794.db2.gz VHRDSQMSNUFZJS-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC001603665549 1096583081 /nfs/dbraw/zinc/58/30/81/1096583081.db2.gz QPUFNDWDSIGGQS-CDWSIMAYSA-N 1 0 348.382 2.781 20 5 EFBDRO CCC[NH+](CCC)CCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604205041 1096772835 /nfs/dbraw/zinc/77/28/35/1096772835.db2.gz QHBVYFBJTFVFQW-UHFFFAOYSA-N 1 0 347.423 2.699 20 5 EFBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605660966 1097182508 /nfs/dbraw/zinc/18/25/08/1097182508.db2.gz KGPZZRNVGMHERX-GFCCVEGCSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCCCCCCC1 ZINC001607083461 1097510280 /nfs/dbraw/zinc/51/02/80/1097510280.db2.gz HDUOTYLAIBHAKV-UHFFFAOYSA-N 1 0 330.392 2.931 20 5 EFBDRO CC(C)[NH+](CCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(C)C ZINC001609098307 1098144436 /nfs/dbraw/zinc/14/44/36/1098144436.db2.gz DNOIMMMCXDYEKT-UHFFFAOYSA-N 1 0 347.423 2.696 20 5 EFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001609164017 1098177294 /nfs/dbraw/zinc/17/72/94/1098177294.db2.gz KFUGCUCCENGYCB-GYSYKLTISA-N 1 0 330.392 2.689 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001609603532 1098396397 /nfs/dbraw/zinc/39/63/97/1098396397.db2.gz KZQRZFQTVVDZPW-HNNXBMFYSA-N 1 0 336.355 2.552 20 5 EFBDRO COc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1F ZINC001167986216 1099538683 /nfs/dbraw/zinc/53/86/83/1099538683.db2.gz PSWRFYGHRUWNDN-UHFFFAOYSA-N 1 0 345.330 2.893 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000843776361 1100175795 /nfs/dbraw/zinc/17/57/95/1100175795.db2.gz MGTDETJMCUUYAA-GFCCVEGCSA-N 1 0 337.395 2.893 20 5 EFBDRO C[NH+](C)CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])cc1F ZINC000840272588 1100966928 /nfs/dbraw/zinc/96/69/28/1100966928.db2.gz QMSSGVJZRDMRBK-UHFFFAOYSA-N 1 0 332.379 2.740 20 5 EFBDRO COc1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001167087161 1101548600 /nfs/dbraw/zinc/54/86/00/1101548600.db2.gz LHXCXTBRVLSQCM-UHFFFAOYSA-N 1 0 342.330 2.727 20 5 EFBDRO C[NH2+]Cc1c(C)nn(-c2cc(C)c3cc([N+](=O)[O-])ccc3n2)c1C ZINC001167098413 1101649603 /nfs/dbraw/zinc/64/96/03/1101649603.db2.gz OAPOCIGAUUVFIS-UHFFFAOYSA-N 1 0 325.372 2.973 20 5 EFBDRO C[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])c(OC)n2)c2ccc(C)cc12 ZINC001167120912 1101790226 /nfs/dbraw/zinc/79/02/26/1101790226.db2.gz DJLGOEJOFALFJI-UHFFFAOYSA-N 1 0 326.356 2.970 20 5 EFBDRO CC[C@@H](c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167131588 1101849342 /nfs/dbraw/zinc/84/93/42/1101849342.db2.gz IRBBICRQBIPLHA-AWEZNQCLSA-N 1 0 327.388 2.659 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1CC[N@@H+](C)C1 ZINC001167273020 1102215985 /nfs/dbraw/zinc/21/59/85/1102215985.db2.gz MYIOPTHAQSKBAD-LBPRGKRZSA-N 1 0 347.806 2.552 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001167289544 1102307140 /nfs/dbraw/zinc/30/71/40/1102307140.db2.gz NZISGKICRAQYIQ-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCC1(c3ccccc3)COC1)C[NH2+]C2 ZINC001167295132 1102352004 /nfs/dbraw/zinc/35/20/04/1102352004.db2.gz WCHFTRKDQQTDRQ-UHFFFAOYSA-N 1 0 325.368 2.578 20 5 EFBDRO C[C@@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000588432140 1102380869 /nfs/dbraw/zinc/38/08/69/1102380869.db2.gz XOANHRNYWSIVMQ-XMELGKRDSA-N 1 0 331.416 2.989 20 5 EFBDRO N=c1cc(CN)ncn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001167355051 1102837428 /nfs/dbraw/zinc/83/74/28/1102837428.db2.gz NWJHFNAOKPLFFE-UHFFFAOYSA-N 1 0 336.786 2.560 20 5 EFBDRO COc1ccc(F)cc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905479811 1103214685 /nfs/dbraw/zinc/21/46/85/1103214685.db2.gz SZVKLQXMTZGPNM-MRXNPFEDSA-N 1 0 334.347 2.608 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905641373 1103458412 /nfs/dbraw/zinc/45/84/12/1103458412.db2.gz QNNRZTADDKRTLM-DOMZBBRYSA-N 1 0 336.461 2.604 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000905986394 1103794686 /nfs/dbraw/zinc/79/46/86/1103794686.db2.gz XZUHGABWDNWNAT-LKFLVWNSSA-N 1 0 331.416 2.638 20 5 EFBDRO COC(=O)c1cc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000906171931 1103976954 /nfs/dbraw/zinc/97/69/54/1103976954.db2.gz LEANSRXSNYJXDI-INIZCTEOSA-N 1 0 327.340 2.868 20 5 EFBDRO COC(=O)c1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000906172244 1103977470 /nfs/dbraw/zinc/97/74/70/1103977470.db2.gz PWLJLIWDHIXSCN-OAHLLOKOSA-N 1 0 327.340 2.868 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906635578 1104387541 /nfs/dbraw/zinc/38/75/41/1104387541.db2.gz ZRTUVRSQDBXJRS-IAGOWNOFSA-N 1 0 343.427 2.833 20 5 EFBDRO CC(C)(CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001126716391 1104462873 /nfs/dbraw/zinc/46/28/73/1104462873.db2.gz HKNDVSMSJKCEMI-UHFFFAOYSA-N 1 0 325.434 2.688 20 5 EFBDRO C[C@]1(O)C[NH2+][C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211935635 1104643674 /nfs/dbraw/zinc/64/36/74/1104643674.db2.gz PSZYOBHWFZWNMT-IFXJQAMLSA-N 1 0 347.378 2.618 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000897527740 1104980199 /nfs/dbraw/zinc/98/01/99/1104980199.db2.gz SVKSTRRQBWDKQK-UHFFFAOYSA-N 1 0 344.415 2.744 20 5 EFBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000897684004 1106047236 /nfs/dbraw/zinc/04/72/36/1106047236.db2.gz JBYUWTXQPPRQOW-ZBEGNZNMSA-N 1 0 332.356 2.676 20 5 EFBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000897710521 1106059697 /nfs/dbraw/zinc/05/96/97/1106059697.db2.gz VKLOIKLKZNIUSN-UHFFFAOYSA-N 1 0 331.372 2.813 20 5 EFBDRO Cc1ccoc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989949685 1107023966 /nfs/dbraw/zinc/02/39/66/1107023966.db2.gz JHWVOUWPYLZKJK-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncc(Cl)c1 ZINC001168342608 1107339798 /nfs/dbraw/zinc/33/97/98/1107339798.db2.gz LYWXKGWSDIJARY-UHFFFAOYSA-N 1 0 348.790 2.553 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H]1CCC[NH2+]C1 ZINC000097368800 1108544408 /nfs/dbraw/zinc/54/44/08/1108544408.db2.gz UUMWPHPUHQJKGE-QMMMGPOBSA-N 1 0 333.157 2.875 20 5 EFBDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)c1 ZINC000905255963 1108546457 /nfs/dbraw/zinc/54/64/57/1108546457.db2.gz WLJJEUVECHOAIJ-UHFFFAOYSA-N 1 0 332.356 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCCC3)CC2)cc1 ZINC000128284159 1108867766 /nfs/dbraw/zinc/86/77/66/1108867766.db2.gz HXJAWEMHNIPYSQ-UHFFFAOYSA-N 1 0 332.448 2.639 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000843811785 1109450770 /nfs/dbraw/zinc/45/07/70/1109450770.db2.gz XLSCEVGTSYSISA-CQSZACIVSA-N 1 0 349.406 2.846 20 5 EFBDRO C=C1[NH+]=C(SCC[N+](=O)[O-])N[C@H](c2ccccc2)C1C(=O)OCC ZINC000899877557 1109531457 /nfs/dbraw/zinc/53/14/57/1109531457.db2.gz ZYVPEOURNNEWLQ-CQSZACIVSA-N 1 0 349.412 2.534 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000899932267 1109553762 /nfs/dbraw/zinc/55/37/62/1109553762.db2.gz JJXHXGNOYBXZHL-UHFFFAOYSA-N 1 0 331.775 2.849 20 5 EFBDRO [NH3+]C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159486114 1109659970 /nfs/dbraw/zinc/65/99/70/1109659970.db2.gz VXOOYJCMTVDPHA-LLVKDONJSA-N 1 0 328.210 2.528 20 5 EFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000159495441 1109665031 /nfs/dbraw/zinc/66/50/31/1109665031.db2.gz AAMREEGSIHZNJK-UWVGGRQHSA-N 1 0 328.210 2.540 20 5 EFBDRO Cc1[nH]ccc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990859017 1109734732 /nfs/dbraw/zinc/73/47/32/1109734732.db2.gz QLVAZOIKTGGSHV-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO Cc1cccc(C2(Nc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)COC2)c1 ZINC001168473189 1111255682 /nfs/dbraw/zinc/25/56/82/1111255682.db2.gz DSONWAOREFRFFA-UHFFFAOYSA-N 1 0 325.368 2.844 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878877 1111430985 /nfs/dbraw/zinc/43/09/85/1111430985.db2.gz ZLQDGJLLAGEDEQ-JTQLQIEISA-N 1 0 345.193 2.924 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000749935709 1111638115 /nfs/dbraw/zinc/63/81/15/1111638115.db2.gz UBBVCPDVGRWRBR-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCCC[NH+](C)C ZINC001106806697 1111862936 /nfs/dbraw/zinc/86/29/36/1111862936.db2.gz FOOVUGPJIQTCRQ-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)CC[N@H+](C)CC ZINC001106841772 1111906058 /nfs/dbraw/zinc/90/60/58/1111906058.db2.gz POFDTSYBHPIVDY-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001106979118 1118971977 /nfs/dbraw/zinc/97/19/77/1118971977.db2.gz DVMWLTYORJOUBI-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001106979623 1118978739 /nfs/dbraw/zinc/97/87/39/1118978739.db2.gz UUZCLUWWTAFOPH-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000053250796 214172494 /nfs/dbraw/zinc/17/24/94/214172494.db2.gz VKJSBJXQUJVSHQ-LLVKDONJSA-N 1 0 328.210 2.888 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053404301 214180977 /nfs/dbraw/zinc/18/09/77/214180977.db2.gz SBIONPKAWYJJHI-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000181725932 529390437 /nfs/dbraw/zinc/39/04/37/529390437.db2.gz CYDKMYOCUITQED-GFCCVEGCSA-N 1 0 341.408 2.890 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000173862636 231055512 /nfs/dbraw/zinc/05/55/12/231055512.db2.gz CYJTUGGQAXHLCB-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO C[NH+](C)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCC1 ZINC000097934298 219060180 /nfs/dbraw/zinc/06/01/80/219060180.db2.gz JAXUUCAKYACYMN-UHFFFAOYSA-N 1 0 329.198 2.649 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177449098 282190432 /nfs/dbraw/zinc/19/04/32/282190432.db2.gz ZOBNJBRHMPERLC-VXGBXAGGSA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175902972 231533000 /nfs/dbraw/zinc/53/30/00/231533000.db2.gz PKQMGBHCCFGEDU-QEJZJMRPSA-N 1 0 334.420 2.828 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176127767 231579359 /nfs/dbraw/zinc/57/93/59/231579359.db2.gz WXUQZWAFBZCZIG-AWEZNQCLSA-N 1 0 348.447 2.995 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152737251 529865631 /nfs/dbraw/zinc/86/56/31/529865631.db2.gz BIWGRWNEIMREQP-UHFFFAOYSA-N 1 0 325.796 2.662 20 5 EFBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129840374 529970400 /nfs/dbraw/zinc/97/04/00/529970400.db2.gz YICDGLCBSHCINZ-JTQLQIEISA-N 1 0 345.321 2.637 20 5 EFBDRO C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000181784193 530050286 /nfs/dbraw/zinc/05/02/86/530050286.db2.gz RHGZNIVRGTUPSG-UHFFFAOYSA-N 1 0 346.309 2.829 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000129063131 530058675 /nfs/dbraw/zinc/05/86/75/530058675.db2.gz FMJKHARDVZVGRO-RISCZKNCSA-N 1 0 337.807 2.805 20 5 EFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177916948 232031896 /nfs/dbraw/zinc/03/18/96/232031896.db2.gz PCJDDBZRQYZSNM-SCTDSRPQSA-N 1 0 329.444 2.944 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000174568295 530068671 /nfs/dbraw/zinc/06/86/71/530068671.db2.gz SQFBKXMJEWQSAD-UHFFFAOYSA-N 1 0 331.416 2.614 20 5 EFBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140773235 282396490 /nfs/dbraw/zinc/39/64/90/282396490.db2.gz NWAXLYWEUTZZCF-HOTGVXAUSA-N 1 0 349.431 2.719 20 5 EFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178647506 232337247 /nfs/dbraw/zinc/33/72/47/232337247.db2.gz SZKKVHDODFTZAV-ZDUSSCGKSA-N 1 0 343.383 2.684 20 5 EFBDRO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000170923079 299154769 /nfs/dbraw/zinc/15/47/69/299154769.db2.gz VWBMYXZOGQGUCB-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](OCCO)C3)o2)c1 ZINC000179576525 233181907 /nfs/dbraw/zinc/18/19/07/233181907.db2.gz FHZJKABQUUBGDI-INIZCTEOSA-N 1 0 346.383 2.828 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132209 215281142 /nfs/dbraw/zinc/28/11/42/215281142.db2.gz OLRYCKAVKGJBST-CQSZACIVSA-N 1 0 335.379 2.824 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179621708 233243275 /nfs/dbraw/zinc/24/32/75/233243275.db2.gz UTASBPAAWKNJGX-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179743047 233392004 /nfs/dbraw/zinc/39/20/04/233392004.db2.gz YRGIIGBAKRKLAM-ROUUACIJSA-N 1 0 330.384 2.732 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180435994 233864979 /nfs/dbraw/zinc/86/49/79/233864979.db2.gz DHZXIQHSQZDTDR-DOMZBBRYSA-N 1 0 336.413 2.885 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181570571 234236422 /nfs/dbraw/zinc/23/64/22/234236422.db2.gz JWAJMPPZYYPVRQ-YGRLFVJLSA-N 1 0 332.360 2.720 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000181642923 234265226 /nfs/dbraw/zinc/26/52/26/234265226.db2.gz BOOAMFKYYFRZGR-IRXDYDNUSA-N 1 0 342.395 2.824 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000038584435 213216250 /nfs/dbraw/zinc/21/62/50/213216250.db2.gz PYFLDCRPFNGBQL-UHFFFAOYSA-N 1 0 349.412 2.891 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183602272 235158924 /nfs/dbraw/zinc/15/89/24/235158924.db2.gz OFLKXZXSTLHZFY-CYBMUJFWSA-N 1 0 335.408 2.766 20 5 EFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178490549 295901072 /nfs/dbraw/zinc/90/10/72/295901072.db2.gz ZQTLNLDZLGAGOO-BBRMVZONSA-N 1 0 331.416 2.516 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347605437 283229453 /nfs/dbraw/zinc/22/94/53/283229453.db2.gz WNULSRVHSVUQGR-GFCCVEGCSA-N 1 0 325.384 2.638 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236868593 535355406 /nfs/dbraw/zinc/35/54/06/535355406.db2.gz FWVMVIXKMADDIE-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC[N@H+](C)C1CC1 ZINC000186780866 236017843 /nfs/dbraw/zinc/01/78/43/236017843.db2.gz XKGIZUFAIAXBCU-LBPRGKRZSA-N 1 0 345.403 2.732 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186837084 236037125 /nfs/dbraw/zinc/03/71/25/236037125.db2.gz LHNLQWVUKUDHRR-UHFFFAOYSA-N 1 0 338.429 2.572 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C)(CO)CC1 ZINC000186946785 236073561 /nfs/dbraw/zinc/07/35/61/236073561.db2.gz GAQIEDHYQIAFMI-GFCCVEGCSA-N 1 0 346.387 2.800 20 5 EFBDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000188070759 236413774 /nfs/dbraw/zinc/41/37/74/236413774.db2.gz AOTIRGHSYBNKFK-UHFFFAOYSA-N 1 0 347.415 2.612 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032781229 212842079 /nfs/dbraw/zinc/84/20/79/212842079.db2.gz REOUHLOVLCMXKR-HNNXBMFYSA-N 1 0 343.383 2.636 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000262085577 283508097 /nfs/dbraw/zinc/50/80/97/283508097.db2.gz HLOZLNGAKJZPAJ-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO COCCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000107317508 219766103 /nfs/dbraw/zinc/76/61/03/219766103.db2.gz VKZJPSAHXSRGML-UHFFFAOYSA-N 1 0 330.384 2.952 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262766011 296027449 /nfs/dbraw/zinc/02/74/49/296027449.db2.gz SKLVJXZVUZIYLA-UKRRQHHQSA-N 1 0 346.431 2.537 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072834420 216313752 /nfs/dbraw/zinc/31/37/52/216313752.db2.gz OOWCXQFKHQGPOS-HNNXBMFYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159303364 239023274 /nfs/dbraw/zinc/02/32/74/239023274.db2.gz KDSFCCLVWZVGEP-SFHVURJKSA-N 1 0 341.411 2.865 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000192780580 239879379 /nfs/dbraw/zinc/87/93/79/239879379.db2.gz JVIPAPAKQXFOEB-UHFFFAOYSA-N 1 0 327.388 2.649 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133200 212353207 /nfs/dbraw/zinc/35/32/07/212353207.db2.gz UCADMLAJLVXGPI-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000192526116 240050095 /nfs/dbraw/zinc/05/00/95/240050095.db2.gz AXDSWHHAOYJRKT-AWEZNQCLSA-N 1 0 348.428 2.620 20 5 EFBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000192807662 240065338 /nfs/dbraw/zinc/06/53/38/240065338.db2.gz ZDUPKBTXSACUBX-CQSZACIVSA-N 1 0 349.431 2.701 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193300141 240098836 /nfs/dbraw/zinc/09/88/36/240098836.db2.gz UOTUNZATNUSQRL-CZUORRHYSA-N 1 0 333.388 2.793 20 5 EFBDRO [NH3+]C1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000237920521 240247931 /nfs/dbraw/zinc/24/79/31/240247931.db2.gz MSDZDTYEJUEMTF-UHFFFAOYSA-N 1 0 349.434 2.541 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193646661 240248535 /nfs/dbraw/zinc/24/85/35/240248535.db2.gz HKTQOTQBXTZGML-GWCFXTLKSA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195319592 240214138 /nfs/dbraw/zinc/21/41/38/240214138.db2.gz BLQSOSGTNCPVRT-LBPRGKRZSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195421556 240222864 /nfs/dbraw/zinc/22/28/64/240222864.db2.gz KZVXVZZJDBADQL-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370662501 299367643 /nfs/dbraw/zinc/36/76/43/299367643.db2.gz MARMEPGAGOHMHR-QGTPRVQTSA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000235519343 242282893 /nfs/dbraw/zinc/28/28/93/242282893.db2.gz PIWUMUFJCUJFLM-DTWKUNHWSA-N 1 0 329.198 2.552 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236647946 242306909 /nfs/dbraw/zinc/30/69/09/242306909.db2.gz LRDKDMGRELNDFO-RYUDHWBXSA-N 1 0 325.434 2.565 20 5 EFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236681995 242319665 /nfs/dbraw/zinc/31/96/65/242319665.db2.gz AJCSHSOKUNRYAM-WBMJQRKESA-N 1 0 339.461 2.955 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365498115 242327650 /nfs/dbraw/zinc/32/76/50/242327650.db2.gz ZNVBZMGBPNWMSH-LBPRGKRZSA-N 1 0 345.359 2.616 20 5 EFBDRO CCOCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236844024 242380827 /nfs/dbraw/zinc/38/08/27/242380827.db2.gz UBZLQTJPOSPGEP-UHFFFAOYSA-N 1 0 332.404 2.902 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237257513 242554812 /nfs/dbraw/zinc/55/48/12/242554812.db2.gz KTCXCCJTMABJEF-CYBMUJFWSA-N 1 0 337.807 2.596 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000237356335 242604156 /nfs/dbraw/zinc/60/41/56/242604156.db2.gz HCLZAIFGIVWEFN-GFCCVEGCSA-N 1 0 337.445 2.853 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000237920201 242855381 /nfs/dbraw/zinc/85/53/81/242855381.db2.gz UXMCGBFFHLPBSQ-INIZCTEOSA-N 1 0 346.431 2.807 20 5 EFBDRO [NH3+]C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000237848254 242822519 /nfs/dbraw/zinc/82/25/19/242822519.db2.gz TVWKJDXELLRBAQ-UHFFFAOYSA-N 1 0 340.383 2.902 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412002434 243066497 /nfs/dbraw/zinc/06/64/97/243066497.db2.gz LIYGBIRNEYORHD-UHFFFAOYSA-N 1 0 346.427 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411943016 243036654 /nfs/dbraw/zinc/03/66/54/243036654.db2.gz MLMJDRPXTDTTGO-AEFFLSMTSA-N 1 0 328.368 2.782 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000412046226 243098830 /nfs/dbraw/zinc/09/88/30/243098830.db2.gz ZHMNBRNRBDMXJG-UHFFFAOYSA-N 1 0 349.431 2.986 20 5 EFBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412052353 243102251 /nfs/dbraw/zinc/10/22/51/243102251.db2.gz CJFQNOFSVFXISA-INIZCTEOSA-N 1 0 331.416 2.614 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412059921 243108486 /nfs/dbraw/zinc/10/84/86/243108486.db2.gz DLTHUGDLRAOVQK-KRWDZBQOSA-N 1 0 336.388 2.769 20 5 EFBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000412017945 243071177 /nfs/dbraw/zinc/07/11/77/243071177.db2.gz APEKXQGVEFEGTD-JTQLQIEISA-N 1 0 341.795 2.734 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412217855 243209049 /nfs/dbraw/zinc/20/90/49/243209049.db2.gz YFBZMJNZLDQFFS-UHFFFAOYSA-N 1 0 337.420 2.796 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000412220979 243210595 /nfs/dbraw/zinc/21/05/95/243210595.db2.gz AZDRWVSYYNHCKR-OSRSDYAFSA-N 1 0 331.416 2.639 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000246110992 243195531 /nfs/dbraw/zinc/19/55/31/243195531.db2.gz SEDKTOCUFMVBPQ-LSDHHAIUSA-N 1 0 333.432 2.764 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412287617 243245937 /nfs/dbraw/zinc/24/59/37/243245937.db2.gz XVJIQNGFGFOGCE-UHFFFAOYSA-N 1 0 337.420 2.796 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000412234809 243220428 /nfs/dbraw/zinc/22/04/28/243220428.db2.gz QJFFWSILOKBMQC-KBPBESRZSA-N 1 0 349.431 2.937 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246359509 243237593 /nfs/dbraw/zinc/23/75/93/243237593.db2.gz KJJZFNMGTBUDCZ-OLZOCXBDSA-N 1 0 345.403 2.589 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246638333 243284054 /nfs/dbraw/zinc/28/40/54/243284054.db2.gz FLRLWXYIWZIADC-KFWWJZLASA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000412392992 243301226 /nfs/dbraw/zinc/30/12/26/243301226.db2.gz COFRFKVEUCCKPV-KAOXEZKKSA-N 1 0 326.356 2.717 20 5 EFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000246737115 243305698 /nfs/dbraw/zinc/30/56/98/243305698.db2.gz AVCSVBALQNRZQN-MEDUHNTESA-N 1 0 330.388 2.535 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412423583 243308338 /nfs/dbraw/zinc/30/83/38/243308338.db2.gz UAVPBMZSZIGBJK-RRQGHBQHSA-N 1 0 331.416 2.546 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246529452 243268565 /nfs/dbraw/zinc/26/85/65/243268565.db2.gz CMPIWPSGOIHYDZ-OLZOCXBDSA-N 1 0 335.404 2.910 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412338070 243276224 /nfs/dbraw/zinc/27/62/24/243276224.db2.gz NJYYZIDBEYGQIE-HNONPPJISA-N 1 0 343.427 2.784 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412349017 243280599 /nfs/dbraw/zinc/28/05/99/243280599.db2.gz SFCJHMIXZNWELG-VIBAHUMZSA-N 1 0 343.427 2.784 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246923498 243335817 /nfs/dbraw/zinc/33/58/17/243335817.db2.gz GQLFXPBNIGZVBB-CABCVRRESA-N 1 0 348.447 2.947 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181855796 296127182 /nfs/dbraw/zinc/12/71/82/296127182.db2.gz WGYIRXJSUPSMOA-CQSZACIVSA-N 1 0 329.404 2.742 20 5 EFBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199961 244043711 /nfs/dbraw/zinc/04/37/11/244043711.db2.gz LEURIDJHSNFGDV-KZULUSFZSA-N 1 0 343.383 2.565 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414281258 244073644 /nfs/dbraw/zinc/07/36/44/244073644.db2.gz MIXWMIBQGAPXCD-RQJABVFESA-N 1 0 335.404 2.715 20 5 EFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414338486 244093670 /nfs/dbraw/zinc/09/36/70/244093670.db2.gz ISSMYQSDSLJVJL-OFQRWUPVSA-N 1 0 333.432 2.809 20 5 EFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414338487 244094970 /nfs/dbraw/zinc/09/49/70/244094970.db2.gz ISSMYQSDSLJVJL-SQWLQELKSA-N 1 0 333.432 2.809 20 5 EFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414503025 244198797 /nfs/dbraw/zinc/19/87/97/244198797.db2.gz VINWLZJZVZLLAV-CQSZACIVSA-N 1 0 343.383 2.765 20 5 EFBDRO CCOC(=O)c1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000414615543 244255141 /nfs/dbraw/zinc/25/51/41/244255141.db2.gz IQGKMCGECFRDFR-CYBMUJFWSA-N 1 0 348.359 2.867 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCOC3)o2)c1 ZINC000414562896 244235005 /nfs/dbraw/zinc/23/50/05/244235005.db2.gz UCGJPIMTHCXAKF-YOEHRIQHSA-N 1 0 346.383 2.732 20 5 EFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000414564392 244236269 /nfs/dbraw/zinc/23/62/69/244236269.db2.gz DRVLNBHVEDTZRH-SOFGYWHQSA-N 1 0 333.432 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCOC3)o2)cc1 ZINC000414569729 244239322 /nfs/dbraw/zinc/23/93/22/244239322.db2.gz ZSEWNHLCMCTGHN-YOEHRIQHSA-N 1 0 346.383 2.732 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414663515 244281728 /nfs/dbraw/zinc/28/17/28/244281728.db2.gz SIARNACEJSEDHE-OAHLLOKOSA-N 1 0 332.404 2.837 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414666448 244282588 /nfs/dbraw/zinc/28/25/88/244282588.db2.gz WLEQUHYZHSMWAJ-KBPBESRZSA-N 1 0 332.404 2.757 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000414884351 244386935 /nfs/dbraw/zinc/38/69/35/244386935.db2.gz NSJZFTAZJOWBDE-JKSUJKDBSA-N 1 0 347.440 2.900 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414942868 244398783 /nfs/dbraw/zinc/39/87/83/244398783.db2.gz DRKUFUQWLQGTQV-RKDXNWHRSA-N 1 0 344.318 2.588 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953377 244402784 /nfs/dbraw/zinc/40/27/84/244402784.db2.gz RMCROELZEAXDLQ-UHFFFAOYSA-N 1 0 346.334 2.835 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000291994946 294545730 /nfs/dbraw/zinc/54/57/30/294545730.db2.gz BNOHJZGICFEKEZ-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO [NH3+][C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000262566963 245037532 /nfs/dbraw/zinc/03/75/32/245037532.db2.gz DQARBHKYLYIUPL-OAHLLOKOSA-N 1 0 340.383 2.599 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140034 245040287 /nfs/dbraw/zinc/04/02/87/245040287.db2.gz PEEPBUVZWCYPRT-WBMJQRKESA-N 1 0 334.420 2.863 20 5 EFBDRO C[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417143111 245040514 /nfs/dbraw/zinc/04/05/14/245040514.db2.gz ULIYIRVUHRVHCC-CQSZACIVSA-N 1 0 342.399 2.826 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000418311077 245118886 /nfs/dbraw/zinc/11/88/86/245118886.db2.gz FHNBDINVYVSWEP-UHFFFAOYSA-N 1 0 346.431 2.930 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCC1 ZINC000418314828 245119164 /nfs/dbraw/zinc/11/91/64/245119164.db2.gz JTFUFYAGTXVQOX-UHFFFAOYSA-N 1 0 346.431 2.930 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000418315825 245120431 /nfs/dbraw/zinc/12/04/31/245120431.db2.gz KWDXYCKIJJTURK-UHFFFAOYSA-N 1 0 346.431 2.930 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418359424 245134337 /nfs/dbraw/zinc/13/43/37/245134337.db2.gz JEEVYZGGNCZBIZ-QGZVFWFLSA-N 1 0 348.447 2.686 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000418357770 245135073 /nfs/dbraw/zinc/13/50/73/245135073.db2.gz YNTWFAFDCMGFFS-HIFRSBDPSA-N 1 0 346.431 2.657 20 5 EFBDRO [NH3+]C1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000418383363 245141693 /nfs/dbraw/zinc/14/16/93/245141693.db2.gz IXRXGOVKDPWCNM-UHFFFAOYSA-N 1 0 332.404 2.539 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262792551 245180138 /nfs/dbraw/zinc/18/01/38/245180138.db2.gz DGRJEAWPXCSDKA-CMPLNLGQSA-N 1 0 346.412 2.589 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418520622 245181190 /nfs/dbraw/zinc/18/11/90/245181190.db2.gz QAGNJZJRGQAMLH-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)(NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418526095 245183429 /nfs/dbraw/zinc/18/34/29/245183429.db2.gz ZEJJRKIITNSSAE-QGZVFWFLSA-N 1 0 334.420 2.519 20 5 EFBDRO C[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[NH2+]C1 ZINC000418554196 245192065 /nfs/dbraw/zinc/19/20/65/245192065.db2.gz VIZIMJWQMIQAMA-GOSISDBHSA-N 1 0 346.431 2.659 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418575326 245199402 /nfs/dbraw/zinc/19/94/02/245199402.db2.gz WLDKCLWBZHWDQH-KGLIPLIRSA-N 1 0 332.404 2.539 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 ZINC000418629344 245218372 /nfs/dbraw/zinc/21/83/72/245218372.db2.gz WFPAIOLABOAUPS-KRWDZBQOSA-N 1 0 346.431 2.786 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418649523 245225260 /nfs/dbraw/zinc/22/52/60/245225260.db2.gz WLCZCNUVRNWTMG-MRXNPFEDSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418672898 245239124 /nfs/dbraw/zinc/23/91/24/245239124.db2.gz NMKRTKQZIHBSGL-CYBMUJFWSA-N 1 0 334.420 2.786 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418709330 245254736 /nfs/dbraw/zinc/25/47/36/245254736.db2.gz DCFGOIIEDJJUSW-HUUCEWRRSA-N 1 0 346.431 2.786 20 5 EFBDRO COC(=O)c1cc(OCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000418878943 245305640 /nfs/dbraw/zinc/30/56/40/245305640.db2.gz MOIAPGIDDGRHBI-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570887994 319521350 /nfs/dbraw/zinc/52/13/50/319521350.db2.gz DBXJKPJNZUCZDB-SCZZXKLOSA-N 1 0 346.168 2.945 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC1(C)C ZINC000419316901 245376481 /nfs/dbraw/zinc/37/64/81/245376481.db2.gz MEVZYCHSGUISJU-WDEREUQCSA-N 1 0 349.387 2.676 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C2CC2)cc1 ZINC000419337213 245385426 /nfs/dbraw/zinc/38/54/26/245385426.db2.gz KTSUHZSWTGHNRH-ZDUSSCGKSA-N 1 0 327.384 2.985 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419371430 245391645 /nfs/dbraw/zinc/39/16/45/245391645.db2.gz KSIGGOPLVCBTAI-XQQFMLRXSA-N 1 0 335.404 2.908 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419380481 245392973 /nfs/dbraw/zinc/39/29/73/245392973.db2.gz XRTUWGXCLKVVRY-CYDGBPFRSA-N 1 0 335.404 2.907 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110351110 220031229 /nfs/dbraw/zinc/03/12/29/220031229.db2.gz DKROFCFHGMCPAZ-HNNXBMFYSA-N 1 0 341.411 2.774 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419380488 245395182 /nfs/dbraw/zinc/39/51/82/245395182.db2.gz XRTUWGXCLKVVRY-RVMXOQNASA-N 1 0 335.404 2.907 20 5 EFBDRO Cc1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000078950138 217156113 /nfs/dbraw/zinc/15/61/13/217156113.db2.gz OJUBCMBZVHHOMC-LBPRGKRZSA-N 1 0 333.417 2.750 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000110597177 220046420 /nfs/dbraw/zinc/04/64/20/220046420.db2.gz REZXKRFXJMAQSL-ZDUSSCGKSA-N 1 0 332.404 2.766 20 5 EFBDRO Nc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000111039966 220093983 /nfs/dbraw/zinc/09/39/83/220093983.db2.gz KYQORBWQEBQAHW-UHFFFAOYSA-N 1 0 334.420 2.563 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000420293022 245592865 /nfs/dbraw/zinc/59/28/65/245592865.db2.gz XGXZCDXLUQGJFW-KGLIPLIRSA-N 1 0 346.431 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000111244115 220122752 /nfs/dbraw/zinc/12/27/52/220122752.db2.gz UUPQGSXMLTXMIZ-UHFFFAOYSA-N 1 0 330.388 2.897 20 5 EFBDRO COc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000080957945 217344490 /nfs/dbraw/zinc/34/44/90/217344490.db2.gz PSTXKJRIQIENRX-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000081363599 217389193 /nfs/dbraw/zinc/38/91/93/217389193.db2.gz BEXCTNYBZCVANR-LBPRGKRZSA-N 1 0 325.434 2.769 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2cc(C)nc(C)c2)c1F ZINC000421582783 246024852 /nfs/dbraw/zinc/02/48/52/246024852.db2.gz VPFPMWCBZNMJDV-UHFFFAOYSA-N 1 0 347.346 2.613 20 5 EFBDRO C[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000421679245 246059975 /nfs/dbraw/zinc/05/99/75/246059975.db2.gz ITXQCYDEABGSSC-HIFPTAJRSA-N 1 0 337.395 2.826 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000264153584 246115482 /nfs/dbraw/zinc/11/54/82/246115482.db2.gz ZQIOWYGWVMLNIX-CQSZACIVSA-N 1 0 336.436 2.855 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000083093144 217515379 /nfs/dbraw/zinc/51/53/79/217515379.db2.gz MXVKUSLHFZYFPX-UHFFFAOYSA-N 1 0 337.445 2.559 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000421893535 246155453 /nfs/dbraw/zinc/15/54/53/246155453.db2.gz MIAJIAAJPBUPHO-OAHLLOKOSA-N 1 0 331.416 2.958 20 5 EFBDRO CCCN1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421887325 246151849 /nfs/dbraw/zinc/15/18/49/246151849.db2.gz SQLKZGLTLNUZAE-GUYCJALGSA-N 1 0 331.416 2.820 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000422781500 246456764 /nfs/dbraw/zinc/45/67/64/246456764.db2.gz FDUGWKOPZCEYAO-LLVKDONJSA-N 1 0 337.445 2.906 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000422803744 246467944 /nfs/dbraw/zinc/46/79/44/246467944.db2.gz GLZCVBFCEHWPSU-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000084380092 217600669 /nfs/dbraw/zinc/60/06/69/217600669.db2.gz UFZYOOPNNCFIKD-KBOKABMXSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(C[C@H]1CCC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720436 246658119 /nfs/dbraw/zinc/65/81/19/246658119.db2.gz HDIQIEKYAGGSMH-AWEZNQCLSA-N 1 0 331.416 2.866 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(F)c1 ZINC000425274161 247025265 /nfs/dbraw/zinc/02/52/65/247025265.db2.gz KSVWJYOFJPSOEW-WMLDXEAASA-N 1 0 342.374 2.840 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419752 247078003 /nfs/dbraw/zinc/07/80/03/247078003.db2.gz LKFXXEFYJFWYNN-QWRGUYRKSA-N 1 0 342.237 2.882 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264994712 247121150 /nfs/dbraw/zinc/12/11/50/247121150.db2.gz RPOAOKJEWRYBCE-CQSZACIVSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000264996292 247121262 /nfs/dbraw/zinc/12/12/62/247121262.db2.gz DCQHDOVDICPGSA-IAGOWNOFSA-N 1 0 349.431 2.857 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000265003619 247127673 /nfs/dbraw/zinc/12/76/73/247127673.db2.gz TUGUTYXFHQLXEI-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO COC[C@](C)([NH3+])CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000265007479 247129981 /nfs/dbraw/zinc/12/99/81/247129981.db2.gz GKBYSATVAYXPHF-GOSISDBHSA-N 1 0 343.383 2.602 20 5 EFBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)O ZINC000265144907 247245766 /nfs/dbraw/zinc/24/57/66/247245766.db2.gz MRVUXTLCVNXPLC-UHFFFAOYSA-N 1 0 333.388 2.885 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474045 247285715 /nfs/dbraw/zinc/28/57/15/247285715.db2.gz ZAJPZAALOQARBI-IUODEOHRSA-N 1 0 333.388 2.806 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000433054348 248008403 /nfs/dbraw/zinc/00/84/03/248008403.db2.gz UTTLBUUMIZUCDN-GXTWGEPZSA-N 1 0 336.388 2.767 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000433054351 248008986 /nfs/dbraw/zinc/00/89/86/248008986.db2.gz UTTLBUUMIZUCDN-TZMCWYRMSA-N 1 0 336.388 2.767 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000433071205 248011546 /nfs/dbraw/zinc/01/15/46/248011546.db2.gz XLVCKAKEVNOGLK-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO CCc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000433075177 248012370 /nfs/dbraw/zinc/01/23/70/248012370.db2.gz JVWPUIPZBUVLDX-QGZVFWFLSA-N 1 0 341.411 2.808 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000266009800 248025641 /nfs/dbraw/zinc/02/56/41/248025641.db2.gz HUQIRNZMTFCXLJ-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193205 248026213 /nfs/dbraw/zinc/02/62/13/248026213.db2.gz JAIQHDWBPCSCKG-OAHLLOKOSA-N 1 0 340.445 2.818 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266209207 248175001 /nfs/dbraw/zinc/17/50/01/248175001.db2.gz XKQGGKWELKQJFY-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C1 ZINC000266126047 248115370 /nfs/dbraw/zinc/11/53/70/248115370.db2.gz YWRWGJBUOZHESL-SJCJKPOMSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000266140930 248125600 /nfs/dbraw/zinc/12/56/00/248125600.db2.gz HBNYBSWZSJJIQJ-SECBINFHSA-N 1 0 339.193 2.942 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000435375141 248231715 /nfs/dbraw/zinc/23/17/15/248231715.db2.gz ZWGBTBCTXKCEPR-ABAIWWIYSA-N 1 0 332.429 2.887 20 5 EFBDRO C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435376953 248232246 /nfs/dbraw/zinc/23/22/46/248232246.db2.gz WPTRGRYHLAFCDJ-CYBMUJFWSA-N 1 0 343.431 2.555 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266299889 248233551 /nfs/dbraw/zinc/23/35/51/248233551.db2.gz MEIJUMYVBIZKQH-GMXVVIOVSA-N 1 0 332.360 2.720 20 5 EFBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000435385001 248234376 /nfs/dbraw/zinc/23/43/76/248234376.db2.gz PEKMCCDWSMMBIO-UHOFOFEASA-N 1 0 344.440 2.887 20 5 EFBDRO [NH3+]C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435388465 248235867 /nfs/dbraw/zinc/23/58/67/248235867.db2.gz HBBKFPVWVBSPPS-GFCCVEGCSA-N 1 0 332.429 2.889 20 5 EFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000266441026 248303067 /nfs/dbraw/zinc/30/30/67/248303067.db2.gz GSQYSZVNBBBSSD-INIZCTEOSA-N 1 0 343.431 2.677 20 5 EFBDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266531638 248348222 /nfs/dbraw/zinc/34/82/22/248348222.db2.gz MIPQCJZAVOPPCU-IRXDYDNUSA-N 1 0 332.404 2.625 20 5 EFBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000092043330 218109549 /nfs/dbraw/zinc/10/95/49/218109549.db2.gz AZKLAYRJMSGDKB-HIFRSBDPSA-N 1 0 349.431 2.528 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000092472215 218143034 /nfs/dbraw/zinc/14/30/34/218143034.db2.gz CKWXWTOZKQLSAT-SFHVURJKSA-N 1 0 344.411 2.913 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000092472216 218143065 /nfs/dbraw/zinc/14/30/65/218143065.db2.gz CKWXWTOZKQLSAT-GOSISDBHSA-N 1 0 344.411 2.913 20 5 EFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092657389 218157570 /nfs/dbraw/zinc/15/75/70/218157570.db2.gz DQFXGMNGVSALAL-UHFFFAOYSA-N 1 0 333.335 2.576 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000093741554 218245648 /nfs/dbraw/zinc/24/56/48/218245648.db2.gz CWTJEGQTMCVIOX-UHFFFAOYSA-N 1 0 331.416 2.880 20 5 EFBDRO COc1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000443922797 250236793 /nfs/dbraw/zinc/23/67/93/250236793.db2.gz RGTLJDVLTPXHDV-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000444039598 250253059 /nfs/dbraw/zinc/25/30/59/250253059.db2.gz MXUNFTCJRQASLC-GRYCIOLGSA-N 1 0 349.387 2.581 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000093817734 218252436 /nfs/dbraw/zinc/25/24/36/218252436.db2.gz BHMZBAWNGXLEHV-QGZVFWFLSA-N 1 0 347.459 2.872 20 5 EFBDRO Cn1cc(C[N@H+](C)CCOCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093818457 218252816 /nfs/dbraw/zinc/25/28/16/218252816.db2.gz KZNRORMTFSRTCM-UHFFFAOYSA-N 1 0 344.415 2.854 20 5 EFBDRO CCC[NH+]1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649057 250321011 /nfs/dbraw/zinc/32/10/11/250321011.db2.gz KWLLMYNYWOBYPX-UHFFFAOYSA-N 1 0 331.420 2.777 20 5 EFBDRO C[C@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444637987 250321532 /nfs/dbraw/zinc/32/15/32/250321532.db2.gz JMVUKXAVXPPKAE-QGZVFWFLSA-N 1 0 332.404 2.892 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444668825 250325480 /nfs/dbraw/zinc/32/54/80/250325480.db2.gz ZREFKJHSYWDKFP-YVEFUNNKSA-N 1 0 346.387 2.683 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094034184 218261478 /nfs/dbraw/zinc/26/14/78/218261478.db2.gz FMWCVHJELUNSPS-AWEZNQCLSA-N 1 0 331.416 2.734 20 5 EFBDRO Cc1c(Br)c(N(CC[NH+](C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000444825884 250354485 /nfs/dbraw/zinc/35/44/85/250354485.db2.gz DPDXXQLAMDAWCV-UHFFFAOYSA-N 1 0 345.241 2.837 20 5 EFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715910 250333178 /nfs/dbraw/zinc/33/31/78/250333178.db2.gz NWQNEVIUDXNEKB-KRWDZBQOSA-N 1 0 332.404 2.844 20 5 EFBDRO Cc1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000444739259 250337551 /nfs/dbraw/zinc/33/75/51/250337551.db2.gz VSDWXPONBQCAFT-MRXNPFEDSA-N 1 0 348.374 2.914 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2ccco2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000094151002 218266535 /nfs/dbraw/zinc/26/65/35/218266535.db2.gz CHLZACACDQXXHU-ZDUSSCGKSA-N 1 0 335.408 2.979 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000445822302 250428834 /nfs/dbraw/zinc/42/88/34/250428834.db2.gz QKDBGOAXSXZJGA-HUUCEWRRSA-N 1 0 333.432 2.907 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449166283 250938384 /nfs/dbraw/zinc/93/83/84/250938384.db2.gz ZOHJFEINSYHPAI-AWEZNQCLSA-N 1 0 341.411 2.718 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449203673 250953177 /nfs/dbraw/zinc/95/31/77/250953177.db2.gz LMLNKVBRWOCPBX-NEPJUHHUSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000449399125 251015507 /nfs/dbraw/zinc/01/55/07/251015507.db2.gz XRBDNZVZKSFWIE-MRXNPFEDSA-N 1 0 335.448 2.655 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449477935 251041364 /nfs/dbraw/zinc/04/13/64/251041364.db2.gz XLWKEVFMOQSBCZ-ZACQAIPSSA-N 1 0 348.399 2.587 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000449499546 251044786 /nfs/dbraw/zinc/04/47/86/251044786.db2.gz TYXYEVTWWHLBCD-IUODEOHRSA-N 1 0 338.404 2.859 20 5 EFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000267445365 251062388 /nfs/dbraw/zinc/06/23/88/251062388.db2.gz PYESYUNBOHTNTN-JOYOIKCWSA-N 1 0 333.310 2.703 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000449553536 251063603 /nfs/dbraw/zinc/06/36/03/251063603.db2.gz MYLCTZKGQLBLOZ-KBPBESRZSA-N 1 0 336.388 2.528 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000267459485 251076726 /nfs/dbraw/zinc/07/67/26/251076726.db2.gz RFGQTSWFDPPBLC-DZGCQCFKSA-N 1 0 342.399 2.706 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449594937 251076804 /nfs/dbraw/zinc/07/68/04/251076804.db2.gz RUQHYSWJCVZTRB-XUWXXGDYSA-N 1 0 344.415 2.769 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000267459486 251076846 /nfs/dbraw/zinc/07/68/46/251076846.db2.gz RFGQTSWFDPPBLC-HIFRSBDPSA-N 1 0 342.399 2.706 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449624933 251085425 /nfs/dbraw/zinc/08/54/25/251085425.db2.gz AFTBKPVCKVWVPW-PRXAMGSTSA-N 1 0 335.404 2.715 20 5 EFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449639159 251090509 /nfs/dbraw/zinc/09/05/09/251090509.db2.gz OBIZKXWVFNQVKV-JKSUJKDBSA-N 1 0 332.404 2.634 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267525666 251127433 /nfs/dbraw/zinc/12/74/33/251127433.db2.gz NXNHLOUTGOBIOW-AWEZNQCLSA-N 1 0 348.403 2.838 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449718993 251128273 /nfs/dbraw/zinc/12/82/73/251128273.db2.gz KSCWCIZUPQJJIE-GFCCVEGCSA-N 1 0 347.337 2.902 20 5 EFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449710832 251125862 /nfs/dbraw/zinc/12/58/62/251125862.db2.gz BTBIWHVPOFKIIC-CMPLNLGQSA-N 1 0 346.412 2.576 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NC ZINC000449782747 251153748 /nfs/dbraw/zinc/15/37/48/251153748.db2.gz YWOBTDXFXBHPBF-CQSZACIVSA-N 1 0 333.413 2.938 20 5 EFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449755819 251143027 /nfs/dbraw/zinc/14/30/27/251143027.db2.gz PCODKBHPIURJIR-SJORKVTESA-N 1 0 340.379 2.983 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449758537 251145241 /nfs/dbraw/zinc/14/52/41/251145241.db2.gz VQEAKZYILHGDQF-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449758745 251145804 /nfs/dbraw/zinc/14/58/04/251145804.db2.gz WRSRCTGJIXCELG-UKMLZYKCSA-N 1 0 331.416 2.550 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267557668 251152076 /nfs/dbraw/zinc/15/20/76/251152076.db2.gz UHTGWVFROQIDNF-UHFFFAOYSA-N 1 0 337.420 2.592 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449746044 251137723 /nfs/dbraw/zinc/13/77/23/251137723.db2.gz QAKHIRQBOFENRW-DKGMDFAASA-N 1 0 346.431 2.734 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCCC1(C)C ZINC000449784666 251154821 /nfs/dbraw/zinc/15/48/21/251154821.db2.gz XZTKMYVCDNOFIB-CQSZACIVSA-N 1 0 348.447 2.776 20 5 EFBDRO Cc1nc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450273274 251323906 /nfs/dbraw/zinc/32/39/06/251323906.db2.gz GEEUHHFPKUUHDI-UKRRQHHQSA-N 1 0 327.388 2.941 20 5 EFBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000450349857 251354148 /nfs/dbraw/zinc/35/41/48/251354148.db2.gz VPNCRPAQQBEFTI-ZDUSSCGKSA-N 1 0 330.388 2.523 20 5 EFBDRO Cc1nc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450491221 251397583 /nfs/dbraw/zinc/39/75/83/251397583.db2.gz OBFWSXZGKBQOEE-ZDUSSCGKSA-N 1 0 329.360 2.822 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451481919 251578957 /nfs/dbraw/zinc/57/89/57/251578957.db2.gz BSGMUGGRXCZFCS-YOEHRIQHSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@]12C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452054986 251770734 /nfs/dbraw/zinc/77/07/34/251770734.db2.gz SRKBROMJYSTVEB-KYZVSKTDSA-N 1 0 329.400 2.901 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000453436534 252038021 /nfs/dbraw/zinc/03/80/21/252038021.db2.gz LHCDEHTVBGJRHP-HUUCEWRRSA-N 1 0 341.411 2.993 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000453625075 252056392 /nfs/dbraw/zinc/05/63/92/252056392.db2.gz ZJGCUFLYIUKWSF-OAHLLOKOSA-N 1 0 341.411 2.740 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000454135037 252151293 /nfs/dbraw/zinc/15/12/93/252151293.db2.gz PMBVVHOVJRPCJF-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268822703 252273063 /nfs/dbraw/zinc/27/30/63/252273063.db2.gz SMVHOTVDGQKELQ-CQSZACIVSA-N 1 0 348.424 2.860 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268853582 252300959 /nfs/dbraw/zinc/30/09/59/252300959.db2.gz QIBKITBDHMNJSG-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000164270042 533008341 /nfs/dbraw/zinc/00/83/41/533008341.db2.gz KNUZYVPYNTZQRQ-IUODEOHRSA-N 1 0 349.456 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000359466493 285106285 /nfs/dbraw/zinc/10/62/85/285106285.db2.gz NUGSGTOGXSPXEI-OAHLLOKOSA-N 1 0 343.387 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC000362739775 285106924 /nfs/dbraw/zinc/10/69/24/285106924.db2.gz FDCSLLIQELXOTF-UHFFFAOYSA-N 1 0 343.387 2.709 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153536842 224119394 /nfs/dbraw/zinc/11/93/94/224119394.db2.gz ASGIUAVXHMFAMR-WBVHZDCISA-N 1 0 343.427 2.613 20 5 EFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153648226 224136183 /nfs/dbraw/zinc/13/61/83/224136183.db2.gz JQFIRCNUGPTDBS-YJBOKZPZSA-N 1 0 343.427 2.613 20 5 EFBDRO COCCC[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153681586 224141893 /nfs/dbraw/zinc/14/18/93/224141893.db2.gz RFLYQDFYXBVSPG-UHFFFAOYSA-N 1 0 328.800 2.556 20 5 EFBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521407 533096840 /nfs/dbraw/zinc/09/68/40/533096840.db2.gz UILDXMDFVUQVGV-ZBFHGGJFSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543078 533096852 /nfs/dbraw/zinc/09/68/52/533096852.db2.gz VLOFWXSQCQDFMV-GDBMZVCRSA-N 1 0 345.443 2.907 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000112560661 220350775 /nfs/dbraw/zinc/35/07/75/220350775.db2.gz BGTBXSUBCKWEJD-LBPRGKRZSA-N 1 0 327.812 2.954 20 5 EFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000112699663 220377281 /nfs/dbraw/zinc/37/72/81/220377281.db2.gz YKVGDECJXRBFEB-HNNXBMFYSA-N 1 0 333.432 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000341853780 285155982 /nfs/dbraw/zinc/15/59/82/285155982.db2.gz OPRPXRDLDQNQNS-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338255309 285163537 /nfs/dbraw/zinc/16/35/37/285163537.db2.gz ZJFVHXWGDXJNHC-GOSISDBHSA-N 1 0 349.431 2.650 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000134788849 285167997 /nfs/dbraw/zinc/16/79/97/285167997.db2.gz VANXIFHJSBPKJM-CVEARBPZSA-N 1 0 348.378 2.519 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420256855 285170871 /nfs/dbraw/zinc/17/08/71/285170871.db2.gz JOUJGBWZBYCJOF-LLVKDONJSA-N 1 0 344.337 2.835 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)s1 ZINC000425271863 285179546 /nfs/dbraw/zinc/17/95/46/285179546.db2.gz DQFUXLNLJTVZFD-UONOGXRCSA-N 1 0 330.413 2.762 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345226 224240567 /nfs/dbraw/zinc/24/05/67/224240567.db2.gz USJKNQCICVDYKR-FUHWJXTLSA-N 1 0 333.432 2.579 20 5 EFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000269249382 255553162 /nfs/dbraw/zinc/55/31/62/255553162.db2.gz FTSJYWUTZJHFKS-OAHLLOKOSA-N 1 0 348.447 2.544 20 5 EFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])ccc21 ZINC000456290497 255632972 /nfs/dbraw/zinc/63/29/72/255632972.db2.gz YIHNJNGXXKQQNN-OAHLLOKOSA-N 1 0 340.383 2.978 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1C[NH+](C2CCCCC2)C1 ZINC000457471399 255696537 /nfs/dbraw/zinc/69/65/37/255696537.db2.gz AYFOXDNASZMVAM-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458564307 255747026 /nfs/dbraw/zinc/74/70/26/255747026.db2.gz AOHLSUANIBMHIE-UHFFFAOYSA-N 1 0 336.436 2.557 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000459746918 255927735 /nfs/dbraw/zinc/92/77/35/255927735.db2.gz ZHFQWWFTJUQRST-UHFFFAOYSA-N 1 0 336.388 2.767 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117754820 221086274 /nfs/dbraw/zinc/08/62/74/221086274.db2.gz ZOTKQWPPUNIJFL-LBPRGKRZSA-N 1 0 339.823 2.781 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000468650444 256017666 /nfs/dbraw/zinc/01/76/66/256017666.db2.gz HFHHBGKEWBBMSE-SCFJZMLDSA-N 1 0 347.459 2.945 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000468655537 256017887 /nfs/dbraw/zinc/01/78/87/256017887.db2.gz MBBIQJGEEIQTMH-KAMYIIQDSA-N 1 0 343.427 2.989 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868583 221199244 /nfs/dbraw/zinc/19/92/44/221199244.db2.gz PBIQVHRYSFEFEJ-AWEZNQCLSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000119397916 221311568 /nfs/dbraw/zinc/31/15/68/221311568.db2.gz YMTPFEKCYLJQGH-UHFFFAOYSA-N 1 0 346.383 2.953 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000119604105 221357732 /nfs/dbraw/zinc/35/77/32/221357732.db2.gz VFTFJSXGAKRTRA-CYBMUJFWSA-N 1 0 325.368 2.835 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181401927 533226223 /nfs/dbraw/zinc/22/62/23/533226223.db2.gz SSFGQGORFCWVAW-ZDUSSCGKSA-N 1 0 348.403 2.553 20 5 EFBDRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150851020 533295302 /nfs/dbraw/zinc/29/53/02/533295302.db2.gz AKEHEZQRUSXNMO-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425346700 533382582 /nfs/dbraw/zinc/38/25/82/533382582.db2.gz GIAMJWBTTCWNMF-OOXMNIKJSA-N 1 0 327.388 2.927 20 5 EFBDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178652273 533455690 /nfs/dbraw/zinc/45/56/90/533455690.db2.gz UCEJYFAPYLYPFL-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000178399678 533406771 /nfs/dbraw/zinc/40/67/71/533406771.db2.gz FCKKOXJVRNBMGG-SNVBAGLBSA-N 1 0 339.193 2.905 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000344870793 533408529 /nfs/dbraw/zinc/40/85/29/533408529.db2.gz XYYHISQTUABXGR-OUQXZNHLSA-N 1 0 347.459 2.681 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1cnccn1 ZINC000341885259 296514156 /nfs/dbraw/zinc/51/41/56/296514156.db2.gz LTFXXNSHLAFWDK-WMLDXEAASA-N 1 0 326.400 2.928 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000321388356 141494152 /nfs/dbraw/zinc/49/41/52/141494152.db2.gz ODZVCCHBVHUMDK-HNNXBMFYSA-N 1 0 337.807 2.852 20 5 EFBDRO CCC[C@H]([NH2+]C1CCN(C(=O)COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000326583830 141502606 /nfs/dbraw/zinc/50/26/06/141502606.db2.gz BEFYUZSSFVASCG-KRWDZBQOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC(=O)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000340473483 141803810 /nfs/dbraw/zinc/80/38/10/141803810.db2.gz RWSTZHOZUSULGZ-UHFFFAOYSA-N 1 0 343.383 2.955 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341496241 141821131 /nfs/dbraw/zinc/82/11/31/141821131.db2.gz YYBBATNGNSRIDN-GXTWGEPZSA-N 1 0 336.388 2.672 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1C ZINC000343452120 142000467 /nfs/dbraw/zinc/00/04/67/142000467.db2.gz RCLQQNKREGUWGQ-DZGCQCFKSA-N 1 0 346.431 2.752 20 5 EFBDRO C[C@@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000344445725 142018227 /nfs/dbraw/zinc/01/82/27/142018227.db2.gz JVBLADBXCSIUDQ-MRXNPFEDSA-N 1 0 333.413 2.969 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344462260 142020971 /nfs/dbraw/zinc/02/09/71/142020971.db2.gz QTGAWNVGEOZGAI-BETUJISGSA-N 1 0 334.420 2.581 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000344485847 142026169 /nfs/dbraw/zinc/02/61/69/142026169.db2.gz YEZJINXIYMJGRP-AVRGHOLYSA-N 1 0 349.431 2.879 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000344498918 142028257 /nfs/dbraw/zinc/02/82/57/142028257.db2.gz LBPVBOXFCJTECV-LLVKDONJSA-N 1 0 326.372 2.976 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000344570007 142042147 /nfs/dbraw/zinc/04/21/47/142042147.db2.gz GTSUXSGTAHQYGJ-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO Cn1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000344603360 142047255 /nfs/dbraw/zinc/04/72/55/142047255.db2.gz OVEWGYOPZHMSBQ-UHFFFAOYSA-N 1 0 325.372 2.624 20 5 EFBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000344663663 142057952 /nfs/dbraw/zinc/05/79/52/142057952.db2.gz IBSUTMMRLBAVKB-PWSUYJOCSA-N 1 0 329.347 2.769 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000344737965 142070533 /nfs/dbraw/zinc/07/05/33/142070533.db2.gz ARGIHVRASWWIDE-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cnnc1C1CC1 ZINC000344836706 142085609 /nfs/dbraw/zinc/08/56/09/142085609.db2.gz WRMOGBDHMYSWKH-LCYFTJDESA-N 1 0 327.388 2.757 20 5 EFBDRO COc1c(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000344870245 142090500 /nfs/dbraw/zinc/09/05/00/142090500.db2.gz SJUYHIALCBSQTI-WQLSENKSSA-N 1 0 330.388 2.838 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000344887568 142092865 /nfs/dbraw/zinc/09/28/65/142092865.db2.gz TVUNSTZUSVORAO-UHFFFAOYSA-N 1 0 325.434 2.731 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000345938414 142120614 /nfs/dbraw/zinc/12/06/14/142120614.db2.gz BXWSKZKDCCKEPY-VXGBXAGGSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000346135960 142152294 /nfs/dbraw/zinc/15/22/94/142152294.db2.gz LHRPWAKAVMLNLV-IVMMDQJWSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346135961 142152646 /nfs/dbraw/zinc/15/26/46/142152646.db2.gz LHRPWAKAVMLNLV-JGGQBBKZSA-N 1 0 331.416 2.706 20 5 EFBDRO CC1(C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OCc1ccccc1 ZINC000346213700 142168656 /nfs/dbraw/zinc/16/86/56/142168656.db2.gz YSZGPZGCOGUEHR-IRXDYDNUSA-N 1 0 344.415 2.765 20 5 EFBDRO Cc1c(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000346246721 142175925 /nfs/dbraw/zinc/17/59/25/142175925.db2.gz MPPVHTBAINASKL-XJKSGUPXSA-N 1 0 346.431 2.671 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000346400906 142199788 /nfs/dbraw/zinc/19/97/88/142199788.db2.gz YDSVMKRGGYCYOP-HUUCEWRRSA-N 1 0 348.447 2.694 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347442567 142217267 /nfs/dbraw/zinc/21/72/67/142217267.db2.gz HLCCVBCILPCTID-GFCCVEGCSA-N 1 0 337.807 2.693 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484593 142224314 /nfs/dbraw/zinc/22/43/14/142224314.db2.gz WNXXWZVGWLFOBA-HOTGVXAUSA-N 1 0 344.415 2.969 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000347492400 142225856 /nfs/dbraw/zinc/22/58/56/142225856.db2.gz VFAIYIZNQNJURT-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C=C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000347779856 142270412 /nfs/dbraw/zinc/27/04/12/142270412.db2.gz QHBIPUVRMYAANQ-OLZOCXBDSA-N 1 0 344.367 2.890 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000347822602 142277346 /nfs/dbraw/zinc/27/73/46/142277346.db2.gz GXONSZXHWBRWEG-ZBFHGGJFSA-N 1 0 348.447 2.652 20 5 EFBDRO CCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000347843896 142280877 /nfs/dbraw/zinc/28/08/77/142280877.db2.gz AHWUSHFSEQZMLG-HNNXBMFYSA-N 1 0 327.388 2.634 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1ncc[nH]1 ZINC000347937322 142296092 /nfs/dbraw/zinc/29/60/92/142296092.db2.gz OLCJCTHZSNABMB-OAHLLOKOSA-N 1 0 339.355 2.636 20 5 EFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000348074882 142317283 /nfs/dbraw/zinc/31/72/83/142317283.db2.gz LJRSRBXMMBRQNS-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000349414563 142328292 /nfs/dbraw/zinc/32/82/92/142328292.db2.gz HHEQLYXJRWSSGH-ABAIWWIYSA-N 1 0 333.413 2.921 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349792221 142360018 /nfs/dbraw/zinc/36/00/18/142360018.db2.gz UTULEIRSNYIOFE-MRXNPFEDSA-N 1 0 327.384 2.929 20 5 EFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000350039517 142393725 /nfs/dbraw/zinc/39/37/25/142393725.db2.gz IDMSNYCSDGSMHP-JKSUJKDBSA-N 1 0 336.436 2.851 20 5 EFBDRO C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000339913773 144879367 /nfs/dbraw/zinc/87/93/67/144879367.db2.gz WZXPCKMHQBTOHD-CYBMUJFWSA-N 1 0 334.420 2.639 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341166983 145004618 /nfs/dbraw/zinc/00/46/18/145004618.db2.gz OEDYRMUFYHRYBM-GDBMZVCRSA-N 1 0 348.447 2.699 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341171001 145005257 /nfs/dbraw/zinc/00/52/57/145005257.db2.gz SUDOHGRVMQGBPB-INIZCTEOSA-N 1 0 348.447 2.701 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000341203263 145012017 /nfs/dbraw/zinc/01/20/17/145012017.db2.gz CBJPBHAFMAJVGR-XJKSGUPXSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000341221267 145016227 /nfs/dbraw/zinc/01/62/27/145016227.db2.gz UMYGFGRIBJEYJP-LLVKDONJSA-N 1 0 329.356 2.553 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000341287412 145027013 /nfs/dbraw/zinc/02/70/13/145027013.db2.gz MEDGSDNHHALKPZ-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000341299001 145028574 /nfs/dbraw/zinc/02/85/74/145028574.db2.gz VOPSBUGOIIFHDI-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1O ZINC000341385501 145043812 /nfs/dbraw/zinc/04/38/12/145043812.db2.gz OMGNWTRZEKHJHA-UHFFFAOYSA-N 1 0 342.355 2.518 20 5 EFBDRO Cn1nncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000342248437 145086949 /nfs/dbraw/zinc/08/69/49/145086949.db2.gz OHOZWCDWLMJFGQ-UHFFFAOYSA-N 1 0 329.385 2.742 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CCCCC2)cc1 ZINC000342353831 145107258 /nfs/dbraw/zinc/10/72/58/145107258.db2.gz HKUOEXWEJISLAQ-UHFFFAOYSA-N 1 0 340.445 2.929 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342361681 145108879 /nfs/dbraw/zinc/10/88/79/145108879.db2.gz LRWJQUMSDWSMKB-WBMJQRKESA-N 1 0 346.431 2.612 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342446526 145128039 /nfs/dbraw/zinc/12/80/39/145128039.db2.gz SCWPRQHWWWAAGI-ZIAGYGMSSA-N 1 0 349.456 2.772 20 5 EFBDRO CN(CC[C@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000342605303 145157937 /nfs/dbraw/zinc/15/79/37/145157937.db2.gz OAFFKDVPXYXEQB-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342715984 145178559 /nfs/dbraw/zinc/17/85/59/145178559.db2.gz DCHLLJRWJGHJEB-RKLWJJNISA-N 1 0 349.456 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000342724612 145179943 /nfs/dbraw/zinc/17/99/43/145179943.db2.gz KXZHXJWSWDIVKT-HUUCEWRRSA-N 1 0 345.374 2.781 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000342724614 145180209 /nfs/dbraw/zinc/18/02/09/145180209.db2.gz KXZHXJWSWDIVKT-LSDHHAIUSA-N 1 0 345.374 2.781 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342744199 145183400 /nfs/dbraw/zinc/18/34/00/145183400.db2.gz RWQHBUSRVLLXNK-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000342745321 145183668 /nfs/dbraw/zinc/18/36/68/145183668.db2.gz ZHQGNFZMQRKXBA-OAHLLOKOSA-N 1 0 346.358 2.753 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342889751 145215830 /nfs/dbraw/zinc/21/58/30/145215830.db2.gz ZMEMNAVJDVGIEJ-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342913775 145220780 /nfs/dbraw/zinc/22/07/80/145220780.db2.gz KNQANEIEMLAROV-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000343543728 145233988 /nfs/dbraw/zinc/23/39/88/145233988.db2.gz JKCLISOWISEBAX-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC000343558105 145237606 /nfs/dbraw/zinc/23/76/06/145237606.db2.gz SHYPSNOWUJLZGV-HNNXBMFYSA-N 1 0 334.416 2.991 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]2c2ccccc2)cc1 ZINC000343574008 145242159 /nfs/dbraw/zinc/24/21/59/145242159.db2.gz KUFOGRWRXSLHPN-KRWDZBQOSA-N 1 0 346.408 2.816 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000343583292 145244872 /nfs/dbraw/zinc/24/48/72/145244872.db2.gz YHMPVMBIPSPYLZ-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622021 145255181 /nfs/dbraw/zinc/25/51/81/145255181.db2.gz MYBHDFWEOBWYTE-HOTGVXAUSA-N 1 0 341.367 2.565 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000343792869 145295911 /nfs/dbraw/zinc/29/59/11/145295911.db2.gz SIRLHFUDBGXIRY-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO Cc1occc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343902603 145320765 /nfs/dbraw/zinc/32/07/65/145320765.db2.gz CLMSWXMOHZEQSA-UHFFFAOYSA-N 1 0 345.355 2.926 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344004057 145343030 /nfs/dbraw/zinc/34/30/30/145343030.db2.gz KGMUHKCFTJURSM-YPMHNXCESA-N 1 0 333.388 2.662 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344004043 145343281 /nfs/dbraw/zinc/34/32/81/145343281.db2.gz KGMUHKCFTJURSM-AAEUAGOBSA-N 1 0 333.388 2.662 20 5 EFBDRO C[C@@H](NCc1ccncc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000344010041 145344744 /nfs/dbraw/zinc/34/47/44/145344744.db2.gz ZYLQNUWWSVIQCT-CQSZACIVSA-N 1 0 344.415 2.781 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000344134785 145376654 /nfs/dbraw/zinc/37/66/54/145376654.db2.gz ZOVIAESZNZDJGO-UHFFFAOYSA-N 1 0 349.431 2.873 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)COc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000344143525 145378323 /nfs/dbraw/zinc/37/83/23/145378323.db2.gz QYMNHJBQGWCWHC-KDOFPFPSSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344163921 145382365 /nfs/dbraw/zinc/38/23/65/145382365.db2.gz JXLMMXMQFBSODE-ZIAGYGMSSA-N 1 0 345.399 2.885 20 5 EFBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344163893 145382745 /nfs/dbraw/zinc/38/27/45/145382745.db2.gz JXLMMXMQFBSODE-KGLIPLIRSA-N 1 0 345.399 2.885 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348474377 145953769 /nfs/dbraw/zinc/95/37/69/145953769.db2.gz BHFKFXJVBVVTPW-CWRNSKLLSA-N 1 0 340.445 2.598 20 5 EFBDRO Cc1ccc(-c2n[nH]cc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348893293 146020847 /nfs/dbraw/zinc/02/08/47/146020847.db2.gz LHQFHABKDSRLKD-UHFFFAOYSA-N 1 0 341.371 2.852 20 5 EFBDRO [NH3+]CCN(Cc1ccc(N2CCCC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000348907085 146022491 /nfs/dbraw/zinc/02/24/91/146022491.db2.gz VZFZQGPOFXNWAX-UHFFFAOYSA-N 1 0 341.415 2.555 20 5 EFBDRO [NH3+]CCN(Cc1ccc(-n2ccnc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000348919811 146024582 /nfs/dbraw/zinc/02/45/82/146024582.db2.gz HRQHROQYOVNXLF-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000349201479 146065751 /nfs/dbraw/zinc/06/57/51/146065751.db2.gz LANLXKBYJZENNW-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000350736953 146085519 /nfs/dbraw/zinc/08/55/19/146085519.db2.gz MUIPQUABJKVCOI-CYBMUJFWSA-N 1 0 336.436 2.875 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350951023 146102339 /nfs/dbraw/zinc/10/23/39/146102339.db2.gz OJHQCYWSXUFKOI-CZUORRHYSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000350950493 146102840 /nfs/dbraw/zinc/10/28/40/146102840.db2.gz NESSEWGUIKUGDQ-AWEZNQCLSA-N 1 0 348.447 2.504 20 5 EFBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000351196346 146115474 /nfs/dbraw/zinc/11/54/74/146115474.db2.gz BKKWFTIDXQRPDO-NHYWBVRUSA-N 1 0 338.795 2.811 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000351516435 146136350 /nfs/dbraw/zinc/13/63/50/146136350.db2.gz JRMJEGWOROYUCC-KBPBESRZSA-N 1 0 344.371 2.794 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351614910 146159304 /nfs/dbraw/zinc/15/93/04/146159304.db2.gz KDNZNXXEAFUCIQ-VXGBXAGGSA-N 1 0 339.823 2.780 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351653097 146169208 /nfs/dbraw/zinc/16/92/08/146169208.db2.gz UYGNJICWYIQTAY-ZDUSSCGKSA-N 1 0 336.367 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000351855630 146219923 /nfs/dbraw/zinc/21/99/23/146219923.db2.gz IPHDQIFZDKTAFN-LBPRGKRZSA-N 1 0 325.359 2.933 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000352030073 146270005 /nfs/dbraw/zinc/27/00/05/146270005.db2.gz YQIAZPWZGASHMM-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO Cc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352860250 146333664 /nfs/dbraw/zinc/33/36/64/146333664.db2.gz XHUGOPIYXAWTKS-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352873615 146337536 /nfs/dbraw/zinc/33/75/36/146337536.db2.gz XYSLMHXHKQLLMD-UHFFFAOYSA-N 1 0 339.395 2.860 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000352876461 146337976 /nfs/dbraw/zinc/33/79/76/146337976.db2.gz MZTHAAWQANKIQS-CABCVRRESA-N 1 0 349.431 2.857 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000352876464 146338121 /nfs/dbraw/zinc/33/81/21/146338121.db2.gz MZTHAAWQANKIQS-HUUCEWRRSA-N 1 0 349.431 2.857 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3(O)CCOCC3)o2)c1 ZINC000353030661 146380353 /nfs/dbraw/zinc/38/03/53/146380353.db2.gz APBFZUPYCCUSMR-UHFFFAOYSA-N 1 0 346.383 2.876 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000355527584 146986104 /nfs/dbraw/zinc/98/61/04/146986104.db2.gz IBUFQFZXZBPESB-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355599734 147008374 /nfs/dbraw/zinc/00/83/74/147008374.db2.gz NZZZSZLBTYDHOM-GJZGRUSLSA-N 1 0 348.399 2.911 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355779267 147061400 /nfs/dbraw/zinc/06/14/00/147061400.db2.gz ZHEQXECWSDHUHY-STQMWFEESA-N 1 0 336.388 2.625 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355808094 147070889 /nfs/dbraw/zinc/07/08/89/147070889.db2.gz HZIQPRFYPXJJNJ-UHFFFAOYSA-N 1 0 336.436 2.855 20 5 EFBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1)CC1CC1 ZINC000356068940 147138668 /nfs/dbraw/zinc/13/86/68/147138668.db2.gz GHBFUXADVGGQQK-UHFFFAOYSA-N 1 0 348.447 2.897 20 5 EFBDRO COc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000356093430 147145444 /nfs/dbraw/zinc/14/54/44/147145444.db2.gz KOWNIQUQEYLLFC-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000356151810 147160429 /nfs/dbraw/zinc/16/04/29/147160429.db2.gz XUMQVGDSOGXHKZ-CHWSQXEVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356151817 147160817 /nfs/dbraw/zinc/16/08/17/147160817.db2.gz XUMQVGDSOGXHKZ-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1F ZINC000356295674 147204436 /nfs/dbraw/zinc/20/44/36/147204436.db2.gz UXAXNLNJYYYFHY-ACJLOTCBSA-N 1 0 349.406 2.782 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000356391777 147232743 /nfs/dbraw/zinc/23/27/43/147232743.db2.gz KLRWFJOESKIGFA-GJZGRUSLSA-N 1 0 348.447 2.660 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cncn1C ZINC000356769791 147331725 /nfs/dbraw/zinc/33/17/25/147331725.db2.gz KVQSQCCSVAPZCG-UHFFFAOYSA-N 1 0 334.401 2.760 20 5 EFBDRO COc1c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000356813586 147343531 /nfs/dbraw/zinc/34/35/31/147343531.db2.gz GRHVFEHMFSNTFT-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000356885933 147362669 /nfs/dbraw/zinc/36/26/69/147362669.db2.gz XSOOPVCYUHPSRO-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357001607 147396413 /nfs/dbraw/zinc/39/64/13/147396413.db2.gz MRPYCDMFYBROLK-QWHCGFSZSA-N 1 0 330.388 2.774 20 5 EFBDRO CCOc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000357381613 147509815 /nfs/dbraw/zinc/50/98/15/147509815.db2.gz SQHUPFRSSHBFMY-UHFFFAOYSA-N 1 0 349.431 2.975 20 5 EFBDRO COc1cccc(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000357558856 147558351 /nfs/dbraw/zinc/55/83/51/147558351.db2.gz MWUSXBWBGIXMTH-UHFFFAOYSA-N 1 0 325.434 2.843 20 5 EFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000341307218 292169018 /nfs/dbraw/zinc/16/90/18/292169018.db2.gz GFTGJDBGAQJKRZ-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000358034214 147692557 /nfs/dbraw/zinc/69/25/57/147692557.db2.gz ZLEBDVRYEZWGNA-UHFFFAOYSA-N 1 0 331.372 2.755 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358728935 147881286 /nfs/dbraw/zinc/88/12/86/147881286.db2.gz WVTVSXNFUXLFNF-OFQRWUPVSA-N 1 0 333.432 2.715 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000358904267 147933086 /nfs/dbraw/zinc/93/30/86/147933086.db2.gz UVPPADGLIAGVBX-UHFFFAOYSA-N 1 0 347.415 2.599 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000359208863 148023757 /nfs/dbraw/zinc/02/37/57/148023757.db2.gz AKWPTSYTOCEURB-OAHLLOKOSA-N 1 0 348.447 2.680 20 5 EFBDRO Cc1c(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000359281710 148044903 /nfs/dbraw/zinc/04/49/03/148044903.db2.gz IJHVBYDAKURORF-AWEZNQCLSA-N 1 0 348.447 2.967 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000359309668 148051284 /nfs/dbraw/zinc/05/12/84/148051284.db2.gz RBUVLEUZNMJALG-AWEZNQCLSA-N 1 0 348.447 2.967 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000359382227 148071824 /nfs/dbraw/zinc/07/18/24/148071824.db2.gz QJRQDCMWZPNUCK-CQSZACIVSA-N 1 0 347.419 2.843 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CCOCC1 ZINC000359433454 148083808 /nfs/dbraw/zinc/08/38/08/148083808.db2.gz XBDVQMSLFAXNDO-RHSMWYFYSA-N 1 0 336.432 2.683 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000359529519 148110904 /nfs/dbraw/zinc/11/09/04/148110904.db2.gz FZZSSRMLJNBZMO-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N(C)C ZINC000359812777 148195795 /nfs/dbraw/zinc/19/57/95/148195795.db2.gz XGJPJJKUBOVOIW-LLVKDONJSA-N 1 0 333.413 2.890 20 5 EFBDRO Cc1c(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cccc1[N+](=O)[O-] ZINC000359809898 148195934 /nfs/dbraw/zinc/19/59/34/148195934.db2.gz UECSZIUFMPCNIA-UHFFFAOYSA-N 1 0 337.383 2.989 20 5 EFBDRO Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000359839951 148204048 /nfs/dbraw/zinc/20/40/48/148204048.db2.gz LZADOVIQGAFFNY-BETUJISGSA-N 1 0 325.384 2.954 20 5 EFBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360046090 148259302 /nfs/dbraw/zinc/25/93/02/148259302.db2.gz FQLNODVZVSTCPM-CYBMUJFWSA-N 1 0 337.395 2.732 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000360391103 148349323 /nfs/dbraw/zinc/34/93/23/148349323.db2.gz BTEUPUNPHLAILA-NWDGAFQWSA-N 1 0 336.392 2.550 20 5 EFBDRO CNc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000361222015 148573817 /nfs/dbraw/zinc/57/38/17/148573817.db2.gz UZERKFBNTBHVBL-AWEZNQCLSA-N 1 0 346.431 2.585 20 5 EFBDRO [NH3+]CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000361611826 148661305 /nfs/dbraw/zinc/66/13/05/148661305.db2.gz UMAUOVNHIGHCNF-UHFFFAOYSA-N 1 0 331.416 2.779 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000175781080 292193483 /nfs/dbraw/zinc/19/34/83/292193483.db2.gz RHGNODVFZKOJRK-OAHLLOKOSA-N 1 0 348.447 2.995 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000362730537 148877127 /nfs/dbraw/zinc/87/71/27/148877127.db2.gz YENUKBDQQFQVJZ-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000363950659 149036358 /nfs/dbraw/zinc/03/63/58/149036358.db2.gz IVMOVZHFIJZDAD-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000364026452 149050516 /nfs/dbraw/zinc/05/05/16/149050516.db2.gz HAGIYJYZXQSSOQ-AWEZNQCLSA-N 1 0 349.406 2.708 20 5 EFBDRO Cc1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000364221547 149095913 /nfs/dbraw/zinc/09/59/13/149095913.db2.gz SMHVOEHJIFVJGX-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000364515198 149172583 /nfs/dbraw/zinc/17/25/83/149172583.db2.gz YXBNBDVYZYUTKF-CRBVWNGCSA-N 1 0 329.400 2.630 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364545519 149181031 /nfs/dbraw/zinc/18/10/31/149181031.db2.gz VSZIGYGGNYJYTA-KGLIPLIRSA-N 1 0 332.404 2.960 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364643332 149206487 /nfs/dbraw/zinc/20/64/87/149206487.db2.gz UXDAHRDSEYNVHE-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1ccccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365122359 149322756 /nfs/dbraw/zinc/32/27/56/149322756.db2.gz KXNMPIKBHJMMNB-UHFFFAOYSA-N 1 0 330.388 2.816 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCO[C@H]3C3CC3)o2)c1 ZINC000365206287 149343349 /nfs/dbraw/zinc/34/33/49/149343349.db2.gz XGXAMFYLFKHXNB-YJBOKZPZSA-N 1 0 343.383 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000367989398 150003708 /nfs/dbraw/zinc/00/37/08/150003708.db2.gz XHALAWOFZKSABV-CQSZACIVSA-N 1 0 336.779 2.771 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368002187 150006579 /nfs/dbraw/zinc/00/65/79/150006579.db2.gz UQXSWZZJZVFLCX-GOSISDBHSA-N 1 0 349.431 2.572 20 5 EFBDRO C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000368325162 150094537 /nfs/dbraw/zinc/09/45/37/150094537.db2.gz XWFZPYAEYDJMPM-TZMCWYRMSA-N 1 0 335.379 2.534 20 5 EFBDRO COCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000368363427 150102183 /nfs/dbraw/zinc/10/21/83/150102183.db2.gz IMFSERQKIFOGDE-QGZVFWFLSA-N 1 0 348.443 2.949 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368688839 150182779 /nfs/dbraw/zinc/18/27/79/150182779.db2.gz QYYVVUKVQIIZSR-CQSZACIVSA-N 1 0 336.779 2.900 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000368694365 150184570 /nfs/dbraw/zinc/18/45/70/150184570.db2.gz YSYWFIPHKCMXEC-WBVHZDCISA-N 1 0 347.415 2.813 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000338477648 286221642 /nfs/dbraw/zinc/22/16/42/286221642.db2.gz OAJOSALDCYCCEC-CLLJXQQHSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372157763 150953825 /nfs/dbraw/zinc/95/38/25/150953825.db2.gz QTENADPYHCSTKX-CABCVRRESA-N 1 0 347.415 2.590 20 5 EFBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc2ncccc21 ZINC000372858477 151071649 /nfs/dbraw/zinc/07/16/49/151071649.db2.gz RSVSRNAXAIXLEN-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000373215325 151135723 /nfs/dbraw/zinc/13/57/23/151135723.db2.gz IIEUIDSIAVLRBX-GASCZTMLSA-N 1 0 339.823 2.543 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000373448058 151172052 /nfs/dbraw/zinc/17/20/52/151172052.db2.gz MKIIXCGKPOGOQV-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647577 151204830 /nfs/dbraw/zinc/20/48/30/151204830.db2.gz MTZJLIPRWMXIQG-WMZOPIPTSA-N 1 0 347.415 2.591 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373929750 151251269 /nfs/dbraw/zinc/25/12/69/151251269.db2.gz RPUJGPBGBZRWSQ-OLZOCXBDSA-N 1 0 335.429 2.673 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374057362 151276486 /nfs/dbraw/zinc/27/64/86/151276486.db2.gz JJHMVTAVPFJLFT-UHFFFAOYSA-N 1 0 347.415 2.551 20 5 EFBDRO Cc1cn2c(n1)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000374440223 151348456 /nfs/dbraw/zinc/34/84/56/151348456.db2.gz WIXNXZKNQPAXNT-HNNXBMFYSA-N 1 0 342.399 2.726 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+]C2(C3CC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000375702873 151580300 /nfs/dbraw/zinc/58/03/00/151580300.db2.gz VCQKIKQQOQIHPZ-UHFFFAOYSA-N 1 0 347.415 2.781 20 5 EFBDRO Cn1cc(C[N@@H+]2CCCOC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378345567 152062955 /nfs/dbraw/zinc/06/29/55/152062955.db2.gz LSANFGUVOKBUTE-UHFFFAOYSA-N 1 0 344.415 2.996 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000378509350 152104367 /nfs/dbraw/zinc/10/43/67/152104367.db2.gz ACPRPLSHISZXSY-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000408328881 152176311 /nfs/dbraw/zinc/17/63/11/152176311.db2.gz HOCSXJFEVMELFN-DOTOQJQBSA-N 1 0 346.431 2.529 20 5 EFBDRO COc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000435637186 286444156 /nfs/dbraw/zinc/44/41/56/286444156.db2.gz MRUYIEQVVYMEBP-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175467506 286833158 /nfs/dbraw/zinc/83/31/58/286833158.db2.gz DWMUHOZYVRJEIU-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159826704 225285333 /nfs/dbraw/zinc/28/53/33/225285333.db2.gz UQAIFMQWMABVPE-IBGZPJMESA-N 1 0 341.411 2.810 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000169311005 226240556 /nfs/dbraw/zinc/24/05/56/226240556.db2.gz RFJPRDGZGZEUMF-UHFFFAOYSA-N 1 0 349.822 2.575 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000122839234 222170288 /nfs/dbraw/zinc/17/02/88/222170288.db2.gz LPQUKLSIZAXYJC-CYBMUJFWSA-N 1 0 348.403 2.553 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123525048 222292469 /nfs/dbraw/zinc/29/24/69/222292469.db2.gz PVCJDBGPMUVLIU-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO CC[NH2+]Cc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000124106829 222376630 /nfs/dbraw/zinc/37/66/30/222376630.db2.gz OAPIXDVZRZEONU-UHFFFAOYSA-N 1 0 345.403 2.546 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)CN1CCOCC1 ZINC000124134962 222380028 /nfs/dbraw/zinc/38/00/28/222380028.db2.gz CIFMIPFJJMVWOD-UHFFFAOYSA-N 1 0 339.411 2.524 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000053609708 292646716 /nfs/dbraw/zinc/64/67/16/292646716.db2.gz NAQKCUKBLAKBKC-UHFFFAOYSA-N 1 0 347.337 2.686 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175168389 264829004 /nfs/dbraw/zinc/82/90/04/264829004.db2.gz CMETZQZVVNPZGU-MRXNPFEDSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000185823529 265048643 /nfs/dbraw/zinc/04/86/43/265048643.db2.gz CRKJLHFSAIZRKA-SNVBAGLBSA-N 1 0 340.811 2.530 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186018874 265055140 /nfs/dbraw/zinc/05/51/40/265055140.db2.gz IHTFFUNSCRNYKC-AWEZNQCLSA-N 1 0 325.796 2.739 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187344166 265094810 /nfs/dbraw/zinc/09/48/10/265094810.db2.gz MCZXFGYSVGRNCP-CQSZACIVSA-N 1 0 349.431 2.939 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000047745190 272982595 /nfs/dbraw/zinc/98/25/95/272982595.db2.gz YFJSVYWNQSBZAN-UHFFFAOYSA-N 1 0 327.384 2.796 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000189011193 265167108 /nfs/dbraw/zinc/16/71/08/265167108.db2.gz ABHUESLMMVHVRH-QGZVFWFLSA-N 1 0 344.411 2.995 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000189011168 265167466 /nfs/dbraw/zinc/16/74/66/265167466.db2.gz ABHUESLMMVHVRH-KRWDZBQOSA-N 1 0 344.411 2.995 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000191591514 265269803 /nfs/dbraw/zinc/26/98/03/265269803.db2.gz BXBGLLFFYVMZDA-INIZCTEOSA-N 1 0 334.397 2.877 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCOC(F)F ZINC000194033655 265358718 /nfs/dbraw/zinc/35/87/18/265358718.db2.gz PSWNMERAPMCVIF-JTQLQIEISA-N 1 0 331.319 2.531 20 5 EFBDRO CSc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194220354 265367016 /nfs/dbraw/zinc/36/70/16/265367016.db2.gz FKPHIGQCPXYPEW-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000194234594 265367687 /nfs/dbraw/zinc/36/76/87/265367687.db2.gz ZMFMYPKKHXFTRA-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000194473662 265371941 /nfs/dbraw/zinc/37/19/41/265371941.db2.gz AUAXOZSDWVDHNH-OAHLLOKOSA-N 1 0 348.447 2.857 20 5 EFBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000194473643 265372596 /nfs/dbraw/zinc/37/25/96/265372596.db2.gz AUAXOZSDWVDHNH-HNNXBMFYSA-N 1 0 348.447 2.857 20 5 EFBDRO COc1cccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000194532774 265375728 /nfs/dbraw/zinc/37/57/28/265375728.db2.gz HXEBIDUATFWFHV-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000237655448 265461425 /nfs/dbraw/zinc/46/14/25/265461425.db2.gz RONSAWACUXLRDT-CJNGLKHVSA-N 1 0 327.384 2.823 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269445621 265515071 /nfs/dbraw/zinc/51/50/71/265515071.db2.gz BIKCUNMJCBFKHU-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270668745 265773201 /nfs/dbraw/zinc/77/32/01/265773201.db2.gz QRUSMSQFUJOMGH-XUJVJEKNSA-N 1 0 345.403 2.588 20 5 EFBDRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270707367 265783924 /nfs/dbraw/zinc/78/39/24/265783924.db2.gz HBORFMKAZVJQIJ-SNVBAGLBSA-N 1 0 343.811 2.668 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1nccs1 ZINC000271425962 265973340 /nfs/dbraw/zinc/97/33/40/265973340.db2.gz BHGYADWXRZKICD-GFCCVEGCSA-N 1 0 348.428 2.991 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCO1 ZINC000271479846 265987962 /nfs/dbraw/zinc/98/79/62/265987962.db2.gz JLYMKYVAAFWLAI-LBPRGKRZSA-N 1 0 326.418 2.818 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000271535678 266003064 /nfs/dbraw/zinc/00/30/64/266003064.db2.gz OURYBBPPYSTCIT-ZFWWWQNUSA-N 1 0 338.404 2.905 20 5 EFBDRO Cc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559989 266008264 /nfs/dbraw/zinc/00/82/64/266008264.db2.gz WNHVNCAPXHSQIE-FNHZYXHNSA-N 1 0 347.459 2.932 20 5 EFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271580069 266010915 /nfs/dbraw/zinc/01/09/15/266010915.db2.gz RSZIEMJHLVWUSS-QWRGUYRKSA-N 1 0 335.360 2.525 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000271614703 266021731 /nfs/dbraw/zinc/02/17/31/266021731.db2.gz CBBJXGYOWDJNMZ-CYBMUJFWSA-N 1 0 343.383 2.917 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000271622850 266024552 /nfs/dbraw/zinc/02/45/52/266024552.db2.gz FJOUDTYZYMQTPR-UHFFFAOYSA-N 1 0 344.419 2.602 20 5 EFBDRO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH+](C)C ZINC000271622345 266025092 /nfs/dbraw/zinc/02/50/92/266025092.db2.gz XFGLWMLMCADXNH-BBRMVZONSA-N 1 0 344.415 2.674 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)NC ZINC000271794674 266062648 /nfs/dbraw/zinc/06/26/48/266062648.db2.gz JUUZPUPBAJWWCA-LBPRGKRZSA-N 1 0 339.461 2.827 20 5 EFBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000271793524 266062697 /nfs/dbraw/zinc/06/26/97/266062697.db2.gz ARCCGHYOYRYQDO-SFHVURJKSA-N 1 0 327.384 2.806 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000271993096 266117769 /nfs/dbraw/zinc/11/77/69/266117769.db2.gz GRQBZMGOEPCXNZ-MOPGFXCFSA-N 1 0 341.411 2.617 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1O ZINC000272045922 266134552 /nfs/dbraw/zinc/13/45/52/266134552.db2.gz WXJWPWBQXDUEPX-UONOGXRCSA-N 1 0 338.404 2.992 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272174110 266177214 /nfs/dbraw/zinc/17/72/14/266177214.db2.gz CIMQTUJFRRFTPI-PWSUYJOCSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272174106 266178045 /nfs/dbraw/zinc/17/80/45/266178045.db2.gz CIMQTUJFRRFTPI-CMPLNLGQSA-N 1 0 346.412 2.528 20 5 EFBDRO COCCC[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272275888 266213247 /nfs/dbraw/zinc/21/32/47/266213247.db2.gz MDBGXURSLBCBLM-UHFFFAOYSA-N 1 0 348.346 2.716 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365433 266243114 /nfs/dbraw/zinc/24/31/14/266243114.db2.gz SVEQNFJQDFZVMO-UKRRQHHQSA-N 1 0 343.383 2.828 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272411091 266257953 /nfs/dbraw/zinc/25/79/53/266257953.db2.gz KUQHUFLUUMHHIA-LLVKDONJSA-N 1 0 346.330 2.516 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272416670 266258425 /nfs/dbraw/zinc/25/84/25/266258425.db2.gz AQJUZUUPLVDTPB-VBQJREDUSA-N 1 0 346.431 2.700 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272477343 266276896 /nfs/dbraw/zinc/27/68/96/266276896.db2.gz GHSZILFBYICEIP-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272477350 266277330 /nfs/dbraw/zinc/27/73/30/266277330.db2.gz GHSZILFBYICEIP-YOEHRIQHSA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272511757 266290451 /nfs/dbraw/zinc/29/04/51/266290451.db2.gz JEFCLJHDGKTDPM-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272561241 266308434 /nfs/dbraw/zinc/30/84/34/266308434.db2.gz TZBDANNKBOQFQC-UHFFFAOYSA-N 1 0 337.445 2.535 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272593850 266319248 /nfs/dbraw/zinc/31/92/48/266319248.db2.gz OGFPNEWHDJAZFV-DZKIICNBSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272609313 266326902 /nfs/dbraw/zinc/32/69/02/266326902.db2.gz WOWYHNVXPFKLJJ-GFCCVEGCSA-N 1 0 341.358 2.535 20 5 EFBDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000272609274 266327108 /nfs/dbraw/zinc/32/71/08/266327108.db2.gz WMHCZTDUADXZCN-SMDDNHRTSA-N 1 0 334.372 2.790 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272623079 266329734 /nfs/dbraw/zinc/32/97/34/266329734.db2.gz MDYHUJDDJLLIMF-WOSRLPQWSA-N 1 0 349.456 2.628 20 5 EFBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000272625248 266330613 /nfs/dbraw/zinc/33/06/13/266330613.db2.gz APBNCEUGRHAWHK-ZDUSSCGKSA-N 1 0 331.416 2.639 20 5 EFBDRO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000272815549 266389743 /nfs/dbraw/zinc/38/97/43/266389743.db2.gz CHSFIATZWSRSNA-CQSZACIVSA-N 1 0 333.388 2.949 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272851635 266399558 /nfs/dbraw/zinc/39/95/58/266399558.db2.gz QKMSIACQKOXZMA-CYBMUJFWSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[S@@](C)=O ZINC000273257475 266474031 /nfs/dbraw/zinc/47/40/31/266474031.db2.gz MDBUJMTUOJWMPF-QLMNROTDSA-N 1 0 330.475 2.822 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[S@](C)=O ZINC000273257478 266474234 /nfs/dbraw/zinc/47/42/34/266474234.db2.gz MDBUJMTUOJWMPF-ZSMADZGOSA-N 1 0 330.475 2.822 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273959014 266586683 /nfs/dbraw/zinc/58/66/83/266586683.db2.gz NSSGUWISJHITMS-HIFRSBDPSA-N 1 0 327.388 2.850 20 5 EFBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCOC1 ZINC000107693771 273008083 /nfs/dbraw/zinc/00/80/83/273008083.db2.gz BFPWKQFWLZTWSI-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@@H](CO)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000276418091 266984659 /nfs/dbraw/zinc/98/46/59/266984659.db2.gz HYMWOIZKFLSVDF-LBPRGKRZSA-N 1 0 336.388 2.587 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000276498101 267001494 /nfs/dbraw/zinc/00/14/94/267001494.db2.gz UIYRHLGIWGALKT-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO CS[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000276683650 267035537 /nfs/dbraw/zinc/03/55/37/267035537.db2.gz VGYIYNZFPOJHFC-CABCVRRESA-N 1 0 332.429 2.625 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000276977124 267090460 /nfs/dbraw/zinc/09/04/60/267090460.db2.gz AVUJINAAUSYWQR-HNNXBMFYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277090611 267111926 /nfs/dbraw/zinc/11/19/26/267111926.db2.gz BKLSMQREAHQVEL-CYBMUJFWSA-N 1 0 341.358 2.629 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277086261 267112218 /nfs/dbraw/zinc/11/22/18/267112218.db2.gz AXIWJWCYRCSBQS-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000277171398 267123741 /nfs/dbraw/zinc/12/37/41/267123741.db2.gz MRXXZLYOGTYUGW-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000277380004 267167766 /nfs/dbraw/zinc/16/77/66/267167766.db2.gz XQIGWDOCTGYAAG-CQSZACIVSA-N 1 0 333.432 2.812 20 5 EFBDRO O=[N+]([O-])c1ccccc1CNc1cc(N2CCSCC2)ncn1 ZINC000277594652 267206600 /nfs/dbraw/zinc/20/66/00/267206600.db2.gz UOCLPVVJWSBYDB-UHFFFAOYSA-N 1 0 331.401 2.550 20 5 EFBDRO CCOc1cccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000277640480 267220024 /nfs/dbraw/zinc/22/00/24/267220024.db2.gz NNYCSDCYQSOZIN-AWEZNQCLSA-N 1 0 337.420 2.906 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277664481 267227468 /nfs/dbraw/zinc/22/74/68/267227468.db2.gz FDAODNNWXPJZGD-BXUZGUMPSA-N 1 0 348.321 2.609 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000277677483 267231636 /nfs/dbraw/zinc/23/16/36/267231636.db2.gz YFAGAPIJZSDTTR-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000277687600 267234736 /nfs/dbraw/zinc/23/47/36/267234736.db2.gz ZENBQBBKMZBSLP-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277747015 267251668 /nfs/dbraw/zinc/25/16/68/267251668.db2.gz LFYPFISDLXKGSV-FZMZJTMJSA-N 1 0 348.321 2.609 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000278120262 267347501 /nfs/dbraw/zinc/34/75/01/267347501.db2.gz QHUQLZLEJWDHOI-BXUZGUMPSA-N 1 0 348.334 2.710 20 5 EFBDRO COCC[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278182479 267362754 /nfs/dbraw/zinc/36/27/54/267362754.db2.gz DEACQMRDDNRWBB-UHFFFAOYSA-N 1 0 348.325 2.531 20 5 EFBDRO Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278255116 267382395 /nfs/dbraw/zinc/38/23/95/267382395.db2.gz VBBMVBZYJIZTAN-QVQLBTGDSA-N 1 0 333.413 2.656 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000278282051 267389363 /nfs/dbraw/zinc/38/93/63/267389363.db2.gz GOIJWKGWKLLBOE-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278308667 267396842 /nfs/dbraw/zinc/39/68/42/267396842.db2.gz BURGMZVKSWWQCB-VMPITWQZSA-N 1 0 329.400 2.599 20 5 EFBDRO CNC(=O)C1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278833095 267573850 /nfs/dbraw/zinc/57/38/50/267573850.db2.gz UFQDHMSULVDRES-MQBCKMQZSA-N 1 0 331.416 2.867 20 5 EFBDRO Cc1c(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000158127855 273021843 /nfs/dbraw/zinc/02/18/43/273021843.db2.gz JULMWVPZUWUGJX-UHFFFAOYSA-N 1 0 333.432 2.871 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175648490 273030116 /nfs/dbraw/zinc/03/01/16/273030116.db2.gz MTFVYOJTPZOLPW-CQSZACIVSA-N 1 0 334.420 2.749 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176100533 273031324 /nfs/dbraw/zinc/03/13/24/273031324.db2.gz KAZWSSVPBOYHPZ-KGLIPLIRSA-N 1 0 336.436 2.994 20 5 EFBDRO Cc1cc(NCC[N@@H+]2CCCOCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000188497525 273057213 /nfs/dbraw/zinc/05/72/13/273057213.db2.gz BIXLHVNDJSNJNJ-UHFFFAOYSA-N 1 0 330.388 2.586 20 5 EFBDRO CCOC(=O)c1cc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000188518887 273057801 /nfs/dbraw/zinc/05/78/01/273057801.db2.gz AENFGFIGNZPNSI-UHFFFAOYSA-N 1 0 335.404 2.692 20 5 EFBDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246164540 273074204 /nfs/dbraw/zinc/07/42/04/273074204.db2.gz FHDXWLSXEDIWIJ-HEHGZKQESA-N 1 0 334.420 2.637 20 5 EFBDRO CCCc1n[nH]c(C(=O)NCCC[NH+](CCC)CCC)c1[N+](=O)[O-] ZINC000264649564 273077243 /nfs/dbraw/zinc/07/72/43/273077243.db2.gz FBLDZUUNNQWNRX-UHFFFAOYSA-N 1 0 339.440 2.512 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269512319 273082631 /nfs/dbraw/zinc/08/26/31/273082631.db2.gz UUVABVXIQTZNLW-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269602540 273085062 /nfs/dbraw/zinc/08/50/62/273085062.db2.gz HVYZIZGMFGOVCY-MRXNPFEDSA-N 1 0 347.440 2.926 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N(C)C ZINC000271143740 273101674 /nfs/dbraw/zinc/10/16/74/273101674.db2.gz OVAYBKXNDMJFBS-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000273636415 273115788 /nfs/dbraw/zinc/11/57/88/273115788.db2.gz RGRPFUZIFHFGHE-HNNXBMFYSA-N 1 0 329.404 2.750 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000274268705 273128640 /nfs/dbraw/zinc/12/86/40/273128640.db2.gz MEGDPUDSHFDLIF-BBRMVZONSA-N 1 0 332.404 2.770 20 5 EFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000274308307 273131579 /nfs/dbraw/zinc/13/15/79/273131579.db2.gz SSBZUCNVKAIXIV-HUUCEWRRSA-N 1 0 335.404 2.715 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276803597 273143685 /nfs/dbraw/zinc/14/36/85/273143685.db2.gz ZHSBOZQTBGDBEW-UHFFFAOYSA-N 1 0 325.368 2.844 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000277066271 273145406 /nfs/dbraw/zinc/14/54/06/273145406.db2.gz KSBZZNBRRMBURI-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277133237 273147409 /nfs/dbraw/zinc/14/74/09/273147409.db2.gz GQISGMOOUATLRZ-HNNXBMFYSA-N 1 0 333.432 2.815 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277367423 273153030 /nfs/dbraw/zinc/15/30/30/273153030.db2.gz VHSSLWUPBLEUME-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000277427202 273154393 /nfs/dbraw/zinc/15/43/93/273154393.db2.gz DJRZUSUZPLKFOW-CQSZACIVSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278989612 273163801 /nfs/dbraw/zinc/16/38/01/273163801.db2.gz DSRBRFWIRSNIEX-MLGOLLRUSA-N 1 0 331.416 2.918 20 5 EFBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279044397 273169941 /nfs/dbraw/zinc/16/99/41/273169941.db2.gz JPDFBJCVTBLJPF-WBMJQRKESA-N 1 0 341.415 2.822 20 5 EFBDRO COCCN1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279079935 273174339 /nfs/dbraw/zinc/17/43/39/273174339.db2.gz MMMNNNDJBZFPKX-CXAGYDPISA-N 1 0 333.432 2.628 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279126094 273179500 /nfs/dbraw/zinc/17/95/00/273179500.db2.gz QPXKKKWPHSZZFB-BDJLRTHQSA-N 1 0 329.400 2.670 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279262328 273194742 /nfs/dbraw/zinc/19/47/42/273194742.db2.gz IIDVTHWQNMBNMP-SUMWQHHRSA-N 1 0 347.415 2.731 20 5 EFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279380890 273209077 /nfs/dbraw/zinc/20/90/77/273209077.db2.gz XWMQBMSAYKLTRE-LLVKDONJSA-N 1 0 334.401 2.972 20 5 EFBDRO Cn1cc(C[N@H+](C)CCCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279496438 273221607 /nfs/dbraw/zinc/22/16/07/273221607.db2.gz VLBQHMABMLQCOQ-UHFFFAOYSA-N 1 0 332.404 2.590 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279695301 273243163 /nfs/dbraw/zinc/24/31/63/273243163.db2.gz GLRHRTHTQGXDFH-OCCSQVGLSA-N 1 0 346.387 2.770 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279745589 273248767 /nfs/dbraw/zinc/24/87/67/273248767.db2.gz KXTDXXWWRKIKHT-UONOGXRCSA-N 1 0 338.404 2.608 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279782221 273252856 /nfs/dbraw/zinc/25/28/56/273252856.db2.gz NSGYEQSVAHYVNO-GJZGRUSLSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279816863 273256631 /nfs/dbraw/zinc/25/66/31/273256631.db2.gz QHFCOXYRCGWXHD-SWLSCSKDSA-N 1 0 336.388 2.587 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279922904 273269714 /nfs/dbraw/zinc/26/97/14/273269714.db2.gz XMNGFEBADVEVMH-LBPRGKRZSA-N 1 0 325.796 2.596 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280054644 273285596 /nfs/dbraw/zinc/28/55/96/273285596.db2.gz NTCMENHNDAKTKS-OAHLLOKOSA-N 1 0 329.404 2.806 20 5 EFBDRO Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280099954 273290709 /nfs/dbraw/zinc/29/07/09/273290709.db2.gz AWUOTBQILZSALE-ACJLOTCBSA-N 1 0 343.383 2.836 20 5 EFBDRO Cc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280099962 273290715 /nfs/dbraw/zinc/29/07/15/273290715.db2.gz AWUOTBQILZSALE-UGSOOPFHSA-N 1 0 343.383 2.836 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280119843 273292954 /nfs/dbraw/zinc/29/29/54/273292954.db2.gz PXEBUOVLSJWTFH-YVEFUNNKSA-N 1 0 346.387 2.943 20 5 EFBDRO CCC(=O)c1ccc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000280165605 273297882 /nfs/dbraw/zinc/29/78/82/273297882.db2.gz CFZYVOKMLDNMCK-UHFFFAOYSA-N 1 0 348.447 2.625 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280237649 273305733 /nfs/dbraw/zinc/30/57/33/273305733.db2.gz AUCHSLGOBKDZEI-DYVFJYSZSA-N 1 0 335.404 2.813 20 5 EFBDRO C[C@@H](CO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000280260739 273308608 /nfs/dbraw/zinc/30/86/08/273308608.db2.gz CDTFRTHKLOTJPM-LBPRGKRZSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](CC2CCC2)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000280647358 273350634 /nfs/dbraw/zinc/35/06/34/273350634.db2.gz YVTRGRAHRAHIMJ-ZDUSSCGKSA-N 1 0 349.431 2.715 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000280769879 273364825 /nfs/dbraw/zinc/36/48/25/273364825.db2.gz FBCCCJJDSHGGRT-TYNCELHUSA-N 1 0 336.388 2.671 20 5 EFBDRO CCC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280910480 273380261 /nfs/dbraw/zinc/38/02/61/273380261.db2.gz GLGWYARXJZWDDX-AWEZNQCLSA-N 1 0 326.418 2.603 20 5 EFBDRO CC(C)C[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000281046996 273395063 /nfs/dbraw/zinc/39/50/63/273395063.db2.gz WJIZPIMAFWAZFB-UHFFFAOYSA-N 1 0 345.403 2.776 20 5 EFBDRO C[NH+](C)CC1(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000281078859 273398386 /nfs/dbraw/zinc/39/83/86/273398386.db2.gz NQVKMQLLEGRFGW-FNORWQNLSA-N 1 0 337.807 2.862 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000281079975 273398539 /nfs/dbraw/zinc/39/85/39/273398539.db2.gz UKWAVZPITDFQHX-SFHVURJKSA-N 1 0 327.384 2.823 20 5 EFBDRO CSc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000281413297 273432974 /nfs/dbraw/zinc/43/29/74/273432974.db2.gz OGHZEQWXJGSGTR-GFCCVEGCSA-N 1 0 333.413 2.829 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000281577998 273448939 /nfs/dbraw/zinc/44/89/39/273448939.db2.gz KVNVLEPSTUSLGH-BLLLJJGKSA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281808033 273471342 /nfs/dbraw/zinc/47/13/42/273471342.db2.gz YUJHCPZZKAIOTC-YQQAZPJKSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281895938 273483821 /nfs/dbraw/zinc/48/38/21/273483821.db2.gz HMXBTUAGRJYNLP-QWHCGFSZSA-N 1 0 337.445 2.663 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282221110 273531426 /nfs/dbraw/zinc/53/14/26/273531426.db2.gz YSBZBZXDVUTQHC-CJNGLKHVSA-N 1 0 347.415 2.861 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236806483 273550578 /nfs/dbraw/zinc/55/05/78/273550578.db2.gz USBJQYJWQMVBIR-OAHLLOKOSA-N 1 0 343.811 2.507 20 5 EFBDRO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000354730133 273551697 /nfs/dbraw/zinc/55/16/97/273551697.db2.gz ZGNPSYQPTGQKEC-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282476950 273568382 /nfs/dbraw/zinc/56/83/82/273568382.db2.gz WRKKQIASHXKGPX-KPWVOAKYSA-N 1 0 326.418 2.555 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000282495571 273571018 /nfs/dbraw/zinc/57/10/18/273571018.db2.gz QGCUJWZJMHDNMZ-UHFFFAOYSA-N 1 0 337.420 2.763 20 5 EFBDRO COCCn1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000282686245 273600477 /nfs/dbraw/zinc/60/04/77/273600477.db2.gz JZGCTDVGAAVZSD-AWEZNQCLSA-N 1 0 332.404 2.549 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283167824 273680327 /nfs/dbraw/zinc/68/03/27/273680327.db2.gz PJIZMWYVKARECY-UHFFFAOYSA-N 1 0 327.400 2.524 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000284085284 273795147 /nfs/dbraw/zinc/79/51/47/273795147.db2.gz SIYVBUAEABQLQE-CYBMUJFWSA-N 1 0 337.420 2.700 20 5 EFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000067203669 273820062 /nfs/dbraw/zinc/82/00/62/273820062.db2.gz HFGZREVBJYFSQP-INIZCTEOSA-N 1 0 339.395 2.657 20 5 EFBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054153 273933567 /nfs/dbraw/zinc/93/35/67/273933567.db2.gz IOICPUPBQJLQJC-GXTWGEPZSA-N 1 0 335.404 2.903 20 5 EFBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285078981 273938242 /nfs/dbraw/zinc/93/82/42/273938242.db2.gz JMAJBWLIJRSYKE-PIGZYNQJSA-N 1 0 333.363 2.874 20 5 EFBDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285168133 273954053 /nfs/dbraw/zinc/95/40/53/273954053.db2.gz MTUITLLHJCCWLJ-YVEFUNNKSA-N 1 0 345.399 2.960 20 5 EFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285324095 273979700 /nfs/dbraw/zinc/97/97/00/273979700.db2.gz TZSGTMOSNJHMSH-CJNGLKHVSA-N 1 0 329.400 2.740 20 5 EFBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000285435371 273999070 /nfs/dbraw/zinc/99/90/70/273999070.db2.gz FKHWNELMNRHIJU-OAHLLOKOSA-N 1 0 341.795 2.736 20 5 EFBDRO Cc1noc([C@H]2CCCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649302 274045109 /nfs/dbraw/zinc/04/51/09/274045109.db2.gz MEXBBTXOJOYHBM-CABCVRRESA-N 1 0 332.360 2.547 20 5 EFBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417388035 274061021 /nfs/dbraw/zinc/06/10/21/274061021.db2.gz ZGCHCTDFFBMOKA-CZUORRHYSA-N 1 0 337.420 2.963 20 5 EFBDRO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000285785034 274074301 /nfs/dbraw/zinc/07/43/01/274074301.db2.gz OKGYEJLAKCVXEF-MXWKQRLJSA-N 1 0 331.376 2.671 20 5 EFBDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835848 274084349 /nfs/dbraw/zinc/08/43/49/274084349.db2.gz XZZOWGRMTQWEOR-FZMZJTMJSA-N 1 0 347.337 2.509 20 5 EFBDRO Cc1c(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285848029 274086495 /nfs/dbraw/zinc/08/64/95/274086495.db2.gz PDYDIHLISQDQLG-BBRMVZONSA-N 1 0 331.416 2.531 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCC[C@H]3CCO)o2)c1 ZINC000285959054 274107287 /nfs/dbraw/zinc/10/72/87/274107287.db2.gz DFZBIVCYJPFJSI-XJKSGUPXSA-N 1 0 345.399 2.933 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286103790 274134256 /nfs/dbraw/zinc/13/42/56/274134256.db2.gz UDBGGDMSZZBYKH-CABCVRRESA-N 1 0 349.431 2.939 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C(C)C)CC1 ZINC000450247646 274140292 /nfs/dbraw/zinc/14/02/92/274140292.db2.gz OFEAZUTXHUJDGC-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000286170259 274146730 /nfs/dbraw/zinc/14/67/30/274146730.db2.gz KDZINLLSSYDSDZ-GDBMZVCRSA-N 1 0 337.395 2.914 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286193427 274151149 /nfs/dbraw/zinc/15/11/49/274151149.db2.gz PSUUYOGNODAYRQ-GOEBONIOSA-N 1 0 349.456 2.748 20 5 EFBDRO COc1ccccc1C[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000103143852 274157356 /nfs/dbraw/zinc/15/73/56/274157356.db2.gz IYOIEGDWHGMAPU-UHFFFAOYSA-N 1 0 330.384 2.640 20 5 EFBDRO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286415351 274196673 /nfs/dbraw/zinc/19/66/73/274196673.db2.gz PJXJDMUCDPKXJT-PBWFPOADSA-N 1 0 344.415 2.541 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000286438355 274201456 /nfs/dbraw/zinc/20/14/56/274201456.db2.gz MDENDPGCLCVEQB-ZDUSSCGKSA-N 1 0 339.823 2.797 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286480235 274210354 /nfs/dbraw/zinc/21/03/54/274210354.db2.gz WOXSOLZKJARQCV-WDEREUQCSA-N 1 0 333.417 2.663 20 5 EFBDRO COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000286488101 274211601 /nfs/dbraw/zinc/21/16/01/274211601.db2.gz LRBGGCVNQIJEJG-CQSZACIVSA-N 1 0 346.305 2.831 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000286492316 274212364 /nfs/dbraw/zinc/21/23/64/274212364.db2.gz JYIRBDHZCFMVPN-UHFFFAOYSA-N 1 0 349.362 2.921 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000249802609 274220639 /nfs/dbraw/zinc/22/06/39/274220639.db2.gz ZOBBSAYEMMTUIT-ZNMIVQPWSA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183614247 274242533 /nfs/dbraw/zinc/24/25/33/274242533.db2.gz DRAOHVANCNTHQV-CHWSQXEVSA-N 1 0 347.419 2.764 20 5 EFBDRO COc1ccc(OCCN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286715227 274257950 /nfs/dbraw/zinc/25/79/50/274257950.db2.gz CBZOUJCPZMXXAC-HOCLYGCPSA-N 1 0 349.431 2.541 20 5 EFBDRO C[C@@H](c1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000342594507 274277751 /nfs/dbraw/zinc/27/77/51/274277751.db2.gz QFRGTKOWLIJBLE-AWEZNQCLSA-N 1 0 327.384 2.686 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286823979 274280619 /nfs/dbraw/zinc/28/06/19/274280619.db2.gz CPCAQDQWRLMTAB-DZGCQCFKSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000286829364 274281626 /nfs/dbraw/zinc/28/16/26/274281626.db2.gz YKBLFJCTAVQARR-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286940607 274305728 /nfs/dbraw/zinc/30/57/28/274305728.db2.gz NVIOMUVWEXAZDB-SWLSCSKDSA-N 1 0 334.376 2.562 20 5 EFBDRO COc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000287016173 274322783 /nfs/dbraw/zinc/32/27/83/274322783.db2.gz GDDLYLJLMCBZCH-PBWFPOADSA-N 1 0 348.403 2.692 20 5 EFBDRO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000287023239 274324165 /nfs/dbraw/zinc/32/41/65/274324165.db2.gz FHFCBYNETTUPOE-XIWBLNCNSA-N 1 0 346.431 2.922 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287026914 274325014 /nfs/dbraw/zinc/32/50/14/274325014.db2.gz DTYGESPDSHOCRZ-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000268162498 274334882 /nfs/dbraw/zinc/33/48/82/274334882.db2.gz OUWKYCCWVAKXPE-SKDRFNHKSA-N 1 0 343.225 2.529 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000287102274 274342481 /nfs/dbraw/zinc/34/24/81/274342481.db2.gz ZFPRJLZFCPAKKG-LLVKDONJSA-N 1 0 333.417 2.664 20 5 EFBDRO CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000287107549 274344466 /nfs/dbraw/zinc/34/44/66/274344466.db2.gz ZLOBGVCQSWODIC-UONOGXRCSA-N 1 0 325.409 2.750 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000287267665 274381750 /nfs/dbraw/zinc/38/17/50/274381750.db2.gz CIHMHAOHOQISHN-MJBXVCDLSA-N 1 0 335.404 2.574 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287272935 274382904 /nfs/dbraw/zinc/38/29/04/274382904.db2.gz YENZFTXXMPSTBY-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000341286067 274388552 /nfs/dbraw/zinc/38/85/52/274388552.db2.gz PYIDGYURCKGHFT-HIFRSBDPSA-N 1 0 326.400 2.973 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287511789 274436047 /nfs/dbraw/zinc/43/60/47/274436047.db2.gz JVRVVNVNBVCDOQ-CZUORRHYSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342919581 274471354 /nfs/dbraw/zinc/47/13/54/274471354.db2.gz VAYPILJRANHEAK-SNVBAGLBSA-N 1 0 335.433 2.766 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000287826265 274491633 /nfs/dbraw/zinc/49/16/33/274491633.db2.gz VKZHIVWXNSAPMJ-MFKMUULPSA-N 1 0 334.294 2.803 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000288108726 274528805 /nfs/dbraw/zinc/52/88/05/274528805.db2.gz IOZMGSHBKZIRHR-IAQYHMDHSA-N 1 0 337.807 2.947 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288264792 274559852 /nfs/dbraw/zinc/55/98/52/274559852.db2.gz GQROWFNNBQNNEX-UONOGXRCSA-N 1 0 347.415 2.692 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000288389060 274583002 /nfs/dbraw/zinc/58/30/02/274583002.db2.gz MDJVOWQJZOFACH-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288564639 274619153 /nfs/dbraw/zinc/61/91/53/274619153.db2.gz WKTIYMYXCIBRBI-VXGBXAGGSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000289695579 274805428 /nfs/dbraw/zinc/80/54/28/274805428.db2.gz NNKVYICOZUMZIS-WDEREUQCSA-N 1 0 339.342 2.572 20 5 EFBDRO O=C(NCC[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289716415 274809175 /nfs/dbraw/zinc/80/91/75/274809175.db2.gz PDYDPHQFWPFVDD-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289787114 274821911 /nfs/dbraw/zinc/82/19/11/274821911.db2.gz YKPXENLJYCBFGQ-DZGCQCFKSA-N 1 0 339.823 2.841 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131196376 274947839 /nfs/dbraw/zinc/94/78/39/274947839.db2.gz BDGCUOUCSRPQEI-ZDUSSCGKSA-N 1 0 346.412 2.672 20 5 EFBDRO O=C1C[C@]2(CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CN1 ZINC000278888584 275021282 /nfs/dbraw/zinc/02/12/82/275021282.db2.gz NZJIDMDQANSTNQ-OAQYLSRUSA-N 1 0 348.402 2.658 20 5 EFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000269384917 275032591 /nfs/dbraw/zinc/03/25/91/275032591.db2.gz ARFIIMJGZPRYBB-AAEUAGOBSA-N 1 0 347.444 2.757 20 5 EFBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192603141 275549207 /nfs/dbraw/zinc/54/92/07/275549207.db2.gz MMSYTRVTSFOCPB-QGZVFWFLSA-N 1 0 333.432 2.673 20 5 EFBDRO CC(C)c1[nH]nc(-c2nc(-c3ccc(C[NH3+])cc3)no2)c1[N+](=O)[O-] ZINC000349922627 275721133 /nfs/dbraw/zinc/72/11/33/275721133.db2.gz RNTTWXQMFMAXMF-UHFFFAOYSA-N 1 0 328.332 2.617 20 5 EFBDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449115328 275776739 /nfs/dbraw/zinc/77/67/39/275776739.db2.gz LJRDWAJPNOALEY-ZFWWWQNUSA-N 1 0 343.431 2.845 20 5 EFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000430733515 275816953 /nfs/dbraw/zinc/81/69/53/275816953.db2.gz RSDQLGZQCCHNJA-AWEZNQCLSA-N 1 0 337.445 2.581 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000344268378 276232161 /nfs/dbraw/zinc/23/21/61/276232161.db2.gz SDFSJGLFKAUFBY-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000344427911 276240349 /nfs/dbraw/zinc/24/03/49/276240349.db2.gz JWCRJRCBBIZTJF-PHIMTYICSA-N 1 0 325.796 2.803 20 5 EFBDRO CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000163325449 276245189 /nfs/dbraw/zinc/24/51/89/276245189.db2.gz KGJYJBZHWLSYJK-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO CCCN(CC[NH+](CC)CC)c1nc2sccn2c1[N+](=O)[O-] ZINC000359253402 276253913 /nfs/dbraw/zinc/25/39/13/276253913.db2.gz NYMPWQQPQWDXNR-UHFFFAOYSA-N 1 0 325.438 2.862 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000343602670 276261565 /nfs/dbraw/zinc/26/15/65/276261565.db2.gz KFSCRVZVUFTGNV-KRWDZBQOSA-N 1 0 348.447 2.778 20 5 EFBDRO CCC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000338696068 276276080 /nfs/dbraw/zinc/27/60/80/276276080.db2.gz SBTBPXUEQHRFLN-CQSZACIVSA-N 1 0 337.420 2.541 20 5 EFBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414332411 276387525 /nfs/dbraw/zinc/38/75/25/276387525.db2.gz DRZOIJUISCCNAZ-OAHLLOKOSA-N 1 0 340.445 2.732 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000025330224 276776536 /nfs/dbraw/zinc/77/65/36/276776536.db2.gz FPSLDCUUYOAWEF-HNNXBMFYSA-N 1 0 333.413 2.618 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000371212239 276798450 /nfs/dbraw/zinc/79/84/50/276798450.db2.gz IHOGQYHJUVHSKM-LLVKDONJSA-N 1 0 347.396 2.626 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000067205877 276846847 /nfs/dbraw/zinc/84/68/47/276846847.db2.gz XXUZFABRYIGZEM-GFCCVEGCSA-N 1 0 331.397 2.789 20 5 EFBDRO CNc1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000361212566 277042468 /nfs/dbraw/zinc/04/24/68/277042468.db2.gz NRRIJEBVAISNPU-CYBMUJFWSA-N 1 0 334.420 2.583 20 5 EFBDRO CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000338226998 277074522 /nfs/dbraw/zinc/07/45/22/277074522.db2.gz UXIOBGCKAIHFHH-KBMXLJTQSA-N 1 0 331.416 2.516 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281431 277243553 /nfs/dbraw/zinc/24/35/53/277243553.db2.gz JECWGOYSLXSMST-KCXAZCMYSA-N 1 0 331.416 2.822 20 5 EFBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000433240012 277588923 /nfs/dbraw/zinc/58/89/23/277588923.db2.gz JZWUZBFFFFJCRW-KSSFIOAISA-N 1 0 347.459 2.875 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453329152 277668610 /nfs/dbraw/zinc/66/86/10/277668610.db2.gz UNUWEGOOHHKGHV-OAUYIBNBSA-N 1 0 334.416 2.958 20 5 EFBDRO CSc1cccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356738361 278175509 /nfs/dbraw/zinc/17/55/09/278175509.db2.gz HZRQWFOJANZCNR-LLVKDONJSA-N 1 0 325.434 2.775 20 5 EFBDRO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCCC1 ZINC000359630455 278194698 /nfs/dbraw/zinc/19/46/98/278194698.db2.gz FNRNENXBHSNKRH-AWEZNQCLSA-N 1 0 347.415 2.580 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000340611496 278265867 /nfs/dbraw/zinc/26/58/67/278265867.db2.gz WNSNGSJNBFBRDM-HNNXBMFYSA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000249802605 278266913 /nfs/dbraw/zinc/26/69/13/278266913.db2.gz ZOBBSAYEMMTUIT-KFWWJZLASA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414235206 278298400 /nfs/dbraw/zinc/29/84/00/278298400.db2.gz GURNCLUWLITGTJ-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnc2n1CCCCC2 ZINC000449077422 278298416 /nfs/dbraw/zinc/29/84/16/278298416.db2.gz VUUTVZORFHTQPG-AWEZNQCLSA-N 1 0 343.431 2.676 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000104348169 278305152 /nfs/dbraw/zinc/30/51/52/278305152.db2.gz FQLSOAHESWNJIM-SECBINFHSA-N 1 0 328.210 2.921 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070543544 278317675 /nfs/dbraw/zinc/31/76/75/278317675.db2.gz NDFDXJVHJMKRDW-ZJUUUORDSA-N 1 0 328.210 2.921 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187222268 278322527 /nfs/dbraw/zinc/32/25/27/278322527.db2.gz DZSUFKHDJRWQMB-AUUYWEPGSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370636273 278492498 /nfs/dbraw/zinc/49/24/98/278492498.db2.gz SJHAMXRBVKHXDC-AAEUAGOBSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343472931 279093004 /nfs/dbraw/zinc/09/30/04/279093004.db2.gz WGUCYPSGHXHJFX-SKDRFNHKSA-N 1 0 345.321 2.826 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000356797938 279103584 /nfs/dbraw/zinc/10/35/84/279103584.db2.gz QZEJVOAYLOSBCO-VHSXEESVSA-N 1 0 328.210 2.886 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426011112 279128182 /nfs/dbraw/zinc/12/81/82/279128182.db2.gz SHVSZDXIVPAWRT-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000347328610 279179536 /nfs/dbraw/zinc/17/95/36/279179536.db2.gz BTBVEIWMNIEFLB-BBRMVZONSA-N 1 0 330.344 2.571 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000182073399 279283683 /nfs/dbraw/zinc/28/36/83/279283683.db2.gz IEEZIVSMBVWBGM-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000449112430 279382527 /nfs/dbraw/zinc/38/25/27/279382527.db2.gz CIIJBTVFOGSZAX-QLFBSQMISA-N 1 0 333.432 2.905 20 5 EFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418341933 279844721 /nfs/dbraw/zinc/84/47/21/279844721.db2.gz IAXPUFRYMANFBD-AWEZNQCLSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000347328614 280176688 /nfs/dbraw/zinc/17/66/88/280176688.db2.gz BTBVEIWMNIEFLB-CZUORRHYSA-N 1 0 330.344 2.571 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264616087 280184064 /nfs/dbraw/zinc/18/40/64/280184064.db2.gz QRPUNWHRXRJXHG-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000347556464 280219499 /nfs/dbraw/zinc/21/94/99/280219499.db2.gz IDTCHTKDRDDQJY-INIZCTEOSA-N 1 0 345.399 2.848 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000337251137 280372207 /nfs/dbraw/zinc/37/22/07/280372207.db2.gz KIYGCGIBHWRFDV-BJJXKVORSA-N 1 0 340.807 2.610 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415510067 280662267 /nfs/dbraw/zinc/66/22/67/280662267.db2.gz YAHPNGRKPPINGI-CQSZACIVSA-N 1 0 332.404 2.757 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778686 281003713 /nfs/dbraw/zinc/00/37/13/281003713.db2.gz YQLLWGQLCFSILZ-HOCLYGCPSA-N 1 0 338.404 2.608 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000268817244 281009645 /nfs/dbraw/zinc/00/96/45/281009645.db2.gz NZABXNQBYNBTNT-GJZGRUSLSA-N 1 0 348.447 2.624 20 5 EFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000261632809 288554228 /nfs/dbraw/zinc/55/42/28/288554228.db2.gz BBLNAXGUPYVQAW-SFHVURJKSA-N 1 0 339.395 2.944 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000075942958 292748811 /nfs/dbraw/zinc/74/88/11/292748811.db2.gz NAUGKLCZIHEFDG-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000081551920 292817058 /nfs/dbraw/zinc/81/70/58/292817058.db2.gz DKMJUAPNJKLNIQ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[NH+](C)CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000119817358 292915559 /nfs/dbraw/zinc/91/55/59/292915559.db2.gz BWVFAIAPIUUQDS-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1c(CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000126174960 293030457 /nfs/dbraw/zinc/03/04/57/293030457.db2.gz OTKXXWCLSWOWOC-QGZVFWFLSA-N 1 0 345.443 2.826 20 5 EFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000126182027 293031007 /nfs/dbraw/zinc/03/10/07/293031007.db2.gz ZKXDTTORVMMQPX-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000128854842 293117390 /nfs/dbraw/zinc/11/73/90/293117390.db2.gz GNZTUZKNIKJDKL-CYBMUJFWSA-N 1 0 343.383 2.618 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000129055157 293122864 /nfs/dbraw/zinc/12/28/64/293122864.db2.gz PEAAVMXJHJPXCZ-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000132597079 293231414 /nfs/dbraw/zinc/23/14/14/293231414.db2.gz BWEMAHDXQLYUQV-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153812124 293394729 /nfs/dbraw/zinc/39/47/29/293394729.db2.gz XFTLMROWVFFUBW-HIFRSBDPSA-N 1 0 338.404 2.840 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249520268 293795907 /nfs/dbraw/zinc/79/59/07/293795907.db2.gz LNRAVRXJBVSZLH-MBNYWOFBSA-N 1 0 335.404 2.956 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255574289 293869760 /nfs/dbraw/zinc/86/97/60/293869760.db2.gz AXSGJIUTZJIQFU-KQQSKNTNSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000255599295 293872481 /nfs/dbraw/zinc/87/24/81/293872481.db2.gz MCZBXYPOBUCULA-FPLPWBNLSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255713570 293880532 /nfs/dbraw/zinc/88/05/32/293880532.db2.gz JWFSROZMUGTXPV-QWPQOLDESA-N 1 0 343.427 2.942 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290156487 294013308 /nfs/dbraw/zinc/01/33/08/294013308.db2.gz JJNCLDALXXLMBT-ZDUSSCGKSA-N 1 0 346.431 2.855 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290353523 294064784 /nfs/dbraw/zinc/06/47/84/294064784.db2.gz IYFDCOSLZOJONK-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290427277 294084333 /nfs/dbraw/zinc/08/43/33/294084333.db2.gz JXQQGQHTJJLKBO-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO CC(C)C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290791956 294186590 /nfs/dbraw/zinc/18/65/90/294186590.db2.gz DGHOFXCXXHZQKO-UHFFFAOYSA-N 1 0 334.203 2.763 20 5 EFBDRO COCCN(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290797164 294188088 /nfs/dbraw/zinc/18/80/88/294188088.db2.gz DUCRYGJOIXJPRN-UHFFFAOYSA-N 1 0 336.219 2.569 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000290856898 294204364 /nfs/dbraw/zinc/20/43/64/294204364.db2.gz BFSXNWMSHYYTEW-GFCCVEGCSA-N 1 0 330.388 2.602 20 5 EFBDRO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290884783 294211826 /nfs/dbraw/zinc/21/18/26/294211826.db2.gz MINRZBSIVDFJKD-LBPRGKRZSA-N 1 0 348.230 2.712 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291245147 294322242 /nfs/dbraw/zinc/32/22/42/294322242.db2.gz LMANVPPXLREFHO-LJQANCHMSA-N 1 0 342.395 2.739 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000291300717 294341077 /nfs/dbraw/zinc/34/10/77/294341077.db2.gz WRNOADXKZGXGDW-NSHDSACASA-N 1 0 331.372 2.879 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291634502 294438002 /nfs/dbraw/zinc/43/80/02/294438002.db2.gz AWHDNOKXGYVHLW-UHFFFAOYSA-N 1 0 327.384 2.979 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(COC)CCOCC1 ZINC000291666187 294447646 /nfs/dbraw/zinc/44/76/46/294447646.db2.gz FRIAEFVCAMNFCU-UHFFFAOYSA-N 1 0 338.404 2.526 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292784329 294785518 /nfs/dbraw/zinc/78/55/18/294785518.db2.gz UMTAYHZDZLDQGG-NSHDSACASA-N 1 0 327.812 2.890 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292813026 294793156 /nfs/dbraw/zinc/79/31/56/294793156.db2.gz CLOOUYQHZLMMGA-OLZOCXBDSA-N 1 0 336.310 2.575 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292833873 294799239 /nfs/dbraw/zinc/79/92/39/294799239.db2.gz YADKJYWXLCTWCI-LLVKDONJSA-N 1 0 327.812 2.890 20 5 EFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292907003 294821857 /nfs/dbraw/zinc/82/18/57/294821857.db2.gz FDYAQXNYUHXCNT-ACJLOTCBSA-N 1 0 344.415 2.636 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293257016 294922600 /nfs/dbraw/zinc/92/26/00/294922600.db2.gz FYWJCIKXBSBDCY-MFKMUULPSA-N 1 0 331.397 2.634 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000293580238 295004090 /nfs/dbraw/zinc/00/40/90/295004090.db2.gz BADGBORQOQXQCL-ZDUSSCGKSA-N 1 0 331.416 2.850 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000293669635 295024252 /nfs/dbraw/zinc/02/42/52/295024252.db2.gz KDIJGZBFBAEKAN-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000293669634 295024471 /nfs/dbraw/zinc/02/44/71/295024471.db2.gz KDIJGZBFBAEKAN-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293818804 295056755 /nfs/dbraw/zinc/05/67/55/295056755.db2.gz CTRITHWSAOYDHM-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293832393 295059904 /nfs/dbraw/zinc/05/99/04/295059904.db2.gz SMOSJSQNKOWOEG-LBPRGKRZSA-N 1 0 342.399 2.778 20 5 EFBDRO Cn1ncc(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000293841758 295062093 /nfs/dbraw/zinc/06/20/93/295062093.db2.gz XUOZJKSFPIJXSM-INIZCTEOSA-N 1 0 329.404 2.668 20 5 EFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000293977088 295091499 /nfs/dbraw/zinc/09/14/99/295091499.db2.gz RFUQUZZTQZPOKQ-UHFFFAOYSA-N 1 0 349.431 2.746 20 5 EFBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016158 295098378 /nfs/dbraw/zinc/09/83/78/295098378.db2.gz DNUIYTRUNQZZPE-AXHNFQJDSA-N 1 0 341.411 2.994 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294045186 295102697 /nfs/dbraw/zinc/10/26/97/295102697.db2.gz GIFYKZJOSIWMAS-OWRWGESLSA-N 1 0 334.420 2.521 20 5 EFBDRO CC(C)(NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000294119310 295114077 /nfs/dbraw/zinc/11/40/77/295114077.db2.gz NXTTYUCAGIAUNU-UHFFFAOYSA-N 1 0 331.416 2.821 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000294149378 295119170 /nfs/dbraw/zinc/11/91/70/295119170.db2.gz OUJXUAYXQBMPES-KBPBESRZSA-N 1 0 348.321 2.897 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000294177726 295123035 /nfs/dbraw/zinc/12/30/35/295123035.db2.gz OVCROWXKHRCRQK-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294324615 295147760 /nfs/dbraw/zinc/14/77/60/295147760.db2.gz XEIKCOPDEYEYAA-MOTZXUDYSA-N 1 0 329.400 2.552 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000294332633 295148787 /nfs/dbraw/zinc/14/87/87/295148787.db2.gz XQAFVPZZBZZTOS-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO CC(C)(CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000294359028 295153418 /nfs/dbraw/zinc/15/34/18/295153418.db2.gz JOGJFLMKUKGAEN-UHFFFAOYSA-N 1 0 333.432 2.556 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000294363943 295154326 /nfs/dbraw/zinc/15/43/26/295154326.db2.gz ZBKHERXLBYSZDZ-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000294513097 295178640 /nfs/dbraw/zinc/17/86/40/295178640.db2.gz HPQJICMCQAGAJB-SECBINFHSA-N 1 0 345.321 2.826 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294652264 295200793 /nfs/dbraw/zinc/20/07/93/295200793.db2.gz HNCXBSFDJXWLQJ-CYBMUJFWSA-N 1 0 325.409 2.614 20 5 EFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000294737955 295218085 /nfs/dbraw/zinc/21/80/85/295218085.db2.gz CBFOBXHDWCGUQS-LLVKDONJSA-N 1 0 345.321 2.876 20 5 EFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000294737956 295218154 /nfs/dbraw/zinc/21/81/54/295218154.db2.gz CBFOBXHDWCGUQS-NSHDSACASA-N 1 0 345.321 2.876 20 5 EFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000294764286 295222996 /nfs/dbraw/zinc/22/29/96/295222996.db2.gz JJFPQOALHFPEPB-ZBEGNZNMSA-N 1 0 326.393 2.763 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294766354 295223420 /nfs/dbraw/zinc/22/34/20/295223420.db2.gz MUMPJRVEEVHRPZ-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294792863 295228456 /nfs/dbraw/zinc/22/84/56/295228456.db2.gz BMIUDUIARORULF-MRXNPFEDSA-N 1 0 347.415 2.500 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294827433 295233498 /nfs/dbraw/zinc/23/34/98/295233498.db2.gz LBBVCBMHPFYBOA-CHWSQXEVSA-N 1 0 337.445 2.724 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294870457 295238964 /nfs/dbraw/zinc/23/89/64/295238964.db2.gz GVZDDEUKYWUSOM-GJZGRUSLSA-N 1 0 347.415 2.547 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000294941307 295248809 /nfs/dbraw/zinc/24/88/09/295248809.db2.gz VIZZZLJUOWHITI-UHFFFAOYSA-N 1 0 325.796 2.772 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000294951757 295249966 /nfs/dbraw/zinc/24/99/66/295249966.db2.gz MOVBALMDAKXBOO-OCCSQVGLSA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294962023 295251495 /nfs/dbraw/zinc/25/14/95/295251495.db2.gz KDMNCOHENCBFIY-UHFFFAOYSA-N 1 0 325.796 2.723 20 5 EFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000295007337 295257188 /nfs/dbraw/zinc/25/71/88/295257188.db2.gz BFEKRVMEGQCYFF-CQSZACIVSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000295019724 295258403 /nfs/dbraw/zinc/25/84/03/295258403.db2.gz KMCDXCHHYLRDBL-LBPRGKRZSA-N 1 0 332.404 2.634 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000295055948 295262489 /nfs/dbraw/zinc/26/24/89/295262489.db2.gz GXEVNNVSRFVAHK-MNOVXSKESA-N 1 0 337.807 2.912 20 5 EFBDRO COc1c(C)cnc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000295101011 295268231 /nfs/dbraw/zinc/26/82/31/295268231.db2.gz GKAGAVQHCPKDDE-QGZVFWFLSA-N 1 0 345.399 2.781 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295124852 295271191 /nfs/dbraw/zinc/27/11/91/295271191.db2.gz HLIPLWKORXNSKP-RDJZCZTQSA-N 1 0 347.459 2.849 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000295167535 295277264 /nfs/dbraw/zinc/27/72/64/295277264.db2.gz HXIMQFSMPUIKSD-IXDOHACOSA-N 1 0 334.416 2.956 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000295188905 295279901 /nfs/dbraw/zinc/27/99/01/295279901.db2.gz IPYBBYLDGVBRTB-AWEZNQCLSA-N 1 0 348.447 2.688 20 5 EFBDRO CCc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295290864 295294642 /nfs/dbraw/zinc/29/46/42/295294642.db2.gz IPWKPZZDKTVBPD-CYBMUJFWSA-N 1 0 331.416 2.714 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CC2)C1 ZINC000295296977 295295895 /nfs/dbraw/zinc/29/58/95/295295895.db2.gz JBKAZJXUODNABU-LBPRGKRZSA-N 1 0 343.383 2.897 20 5 EFBDRO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+](C2CC2)C1 ZINC000295330130 295301673 /nfs/dbraw/zinc/30/16/73/295301673.db2.gz LUAQBLSGVSDGQO-LBPRGKRZSA-N 1 0 342.399 2.632 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000295413109 295315851 /nfs/dbraw/zinc/31/58/51/295315851.db2.gz SMUTUHONEKAIFS-ZDUSSCGKSA-N 1 0 347.415 2.550 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000295453193 295323328 /nfs/dbraw/zinc/32/33/28/295323328.db2.gz NVTWXXUWQRXMKS-UHFFFAOYSA-N 1 0 327.812 2.969 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000295617900 295350144 /nfs/dbraw/zinc/35/01/44/295350144.db2.gz YKQYTPPOOQVCEY-AWEZNQCLSA-N 1 0 337.395 2.974 20 5 EFBDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295738461 295368353 /nfs/dbraw/zinc/36/83/53/295368353.db2.gz POZOIJGNKKFZPG-UHFFFAOYSA-N 1 0 327.384 2.677 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295756054 295371390 /nfs/dbraw/zinc/37/13/90/295371390.db2.gz HJGPMKVLDLDGKF-SMDDNHRTSA-N 1 0 339.823 2.969 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(N)=O ZINC000295781772 295375449 /nfs/dbraw/zinc/37/54/49/295375449.db2.gz ZENNLCKUVDMJBJ-CYBMUJFWSA-N 1 0 337.395 2.848 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295862756 295388014 /nfs/dbraw/zinc/38/80/14/295388014.db2.gz OMMPGDPASFQXJP-MRXNPFEDSA-N 1 0 347.459 2.945 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295975993 295405675 /nfs/dbraw/zinc/40/56/75/295405675.db2.gz JAOMUNXUVIOPJM-WHOFXGATSA-N 1 0 326.418 2.601 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000296090725 295423007 /nfs/dbraw/zinc/42/30/07/295423007.db2.gz PQKZSRSHDWVZOC-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296135632 295429994 /nfs/dbraw/zinc/42/99/94/295429994.db2.gz JHZXSKHVBNDMFG-IAOVAPTHSA-N 1 0 347.415 2.635 20 5 EFBDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000296229068 295444635 /nfs/dbraw/zinc/44/46/35/295444635.db2.gz WMEGOXOYPHAHOS-QWHCGFSZSA-N 1 0 345.403 2.797 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCO[C@@H]21 ZINC000296334265 295460117 /nfs/dbraw/zinc/46/01/17/295460117.db2.gz QWRQWKPNJOSUMC-CFVMTHIKSA-N 1 0 344.371 2.548 20 5 EFBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550817 297293689 /nfs/dbraw/zinc/29/36/89/297293689.db2.gz DZVIKGWUYNTIDO-DYVFJYSZSA-N 1 0 345.374 2.979 20 5 EFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262511375 297362446 /nfs/dbraw/zinc/36/24/46/297362446.db2.gz NXXWMFYLUSHZTL-BETUJISGSA-N 1 0 348.447 2.544 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000375472430 300955111 /nfs/dbraw/zinc/95/51/11/300955111.db2.gz NRKHTQUXZRNKEN-WMZOPIPTSA-N 1 0 333.432 2.636 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)C1CC1 ZINC000364312276 304807633 /nfs/dbraw/zinc/80/76/33/304807633.db2.gz WUAFRWVRJCAEAR-JENIJYKNSA-N 1 0 346.427 2.844 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134593986 310644130 /nfs/dbraw/zinc/64/41/30/310644130.db2.gz MLACHVJLUWSOCW-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000136983973 310666738 /nfs/dbraw/zinc/66/67/38/310666738.db2.gz AIHMKUKXIBDRJW-AWEZNQCLSA-N 1 0 337.445 2.777 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000173371004 310764317 /nfs/dbraw/zinc/76/43/17/310764317.db2.gz AWJJYQZDMOJIMD-QZTJIDSGSA-N 1 0 344.415 2.673 20 5 EFBDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000296469838 310823511 /nfs/dbraw/zinc/82/35/11/310823511.db2.gz OKWCIZHYOWAWQE-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296600042 310828807 /nfs/dbraw/zinc/82/88/07/310828807.db2.gz SRUXYBMHNBIVCT-AWEZNQCLSA-N 1 0 331.376 2.925 20 5 EFBDRO Cc1nc(NCc2ccccc2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296617118 310830804 /nfs/dbraw/zinc/83/08/04/310830804.db2.gz UMVRRRDMWZOKRS-UHFFFAOYSA-N 1 0 327.388 2.901 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000296978274 310838013 /nfs/dbraw/zinc/83/80/13/310838013.db2.gz PBTHAIWAOLCASN-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297567092 310909135 /nfs/dbraw/zinc/90/91/35/310909135.db2.gz RWHLCZJKWWVRJV-KGLIPLIRSA-N 1 0 335.404 2.595 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000298312305 310977496 /nfs/dbraw/zinc/97/74/96/310977496.db2.gz JJIPUGCNCPSFRV-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298464937 310992572 /nfs/dbraw/zinc/99/25/72/310992572.db2.gz QVDGWNNYFCERBK-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c2nonc21 ZINC000298700639 311015471 /nfs/dbraw/zinc/01/54/71/311015471.db2.gz DXQIGNZLLQYTQH-UHFFFAOYSA-N 1 0 331.376 2.586 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298708700 311016641 /nfs/dbraw/zinc/01/66/41/311016641.db2.gz FVSCFPNARAQMTE-OLZOCXBDSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298849680 311028425 /nfs/dbraw/zinc/02/84/25/311028425.db2.gz CDKMQBANPCFZSL-UHFFFAOYSA-N 1 0 342.399 2.839 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccsc1 ZINC000298914395 311034224 /nfs/dbraw/zinc/03/42/24/311034224.db2.gz FNPMWRJDUCYLKE-CYBMUJFWSA-N 1 0 336.417 2.797 20 5 EFBDRO C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000299007331 311041425 /nfs/dbraw/zinc/04/14/25/311041425.db2.gz KUFRGEBVEJVFHV-CQSZACIVSA-N 1 0 334.420 2.687 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000299044985 311044801 /nfs/dbraw/zinc/04/48/01/311044801.db2.gz OJJXHCCIUCMZHJ-QWHCGFSZSA-N 1 0 335.429 2.673 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299067951 311047367 /nfs/dbraw/zinc/04/73/67/311047367.db2.gz QBLRIYNRKFNOOR-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000299107818 311051562 /nfs/dbraw/zinc/05/15/62/311051562.db2.gz YCSZHNYVXFMZMW-RDTXWAMCSA-N 1 0 333.432 2.764 20 5 EFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299145832 311056203 /nfs/dbraw/zinc/05/62/03/311056203.db2.gz QTXDGIYBMPBTEK-UHFFFAOYSA-N 1 0 328.372 2.814 20 5 EFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000299201830 311061323 /nfs/dbraw/zinc/06/13/23/311061323.db2.gz GGVVLFUTWAYYRB-SFHVURJKSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209768 311061713 /nfs/dbraw/zinc/06/17/13/311061713.db2.gz BLGRPKWCWZGJMC-JSGCOSHPSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299231066 311063931 /nfs/dbraw/zinc/06/39/31/311063931.db2.gz PWFVHFPWHBDXQO-UONOGXRCSA-N 1 0 335.404 2.731 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000299311031 311071471 /nfs/dbraw/zinc/07/14/71/311071471.db2.gz BSPTVBVIKMMGHO-KRWDZBQOSA-N 1 0 342.399 2.518 20 5 EFBDRO COc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000299672670 311109491 /nfs/dbraw/zinc/10/94/91/311109491.db2.gz POTBXFVRHHNEIM-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301093088 311118368 /nfs/dbraw/zinc/11/83/68/311118368.db2.gz LVGDLQGDPJCHOJ-LLVKDONJSA-N 1 0 331.376 2.530 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000301129581 311120599 /nfs/dbraw/zinc/12/05/99/311120599.db2.gz ZHRNMXPCVHCPDO-KRWDZBQOSA-N 1 0 342.399 2.669 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000301213486 311124656 /nfs/dbraw/zinc/12/46/56/311124656.db2.gz WIWIJKXYFWPUOX-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301297657 311129724 /nfs/dbraw/zinc/12/97/24/311129724.db2.gz SNBDMDNNQNEQAB-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301456162 311138357 /nfs/dbraw/zinc/13/83/57/311138357.db2.gz WVPNULUMXPRIBA-QWRGUYRKSA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000301464850 311139000 /nfs/dbraw/zinc/13/90/00/311139000.db2.gz GYJGIMNOXHTIQT-LLVKDONJSA-N 1 0 347.337 2.994 20 5 EFBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301486518 311140258 /nfs/dbraw/zinc/14/02/58/311140258.db2.gz XPUHGNPVJHWINS-LLVKDONJSA-N 1 0 327.812 2.937 20 5 EFBDRO C[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301521475 311142382 /nfs/dbraw/zinc/14/23/82/311142382.db2.gz GZEKXATTYVFEKJ-UHFFFAOYSA-N 1 0 349.391 2.987 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301555337 311144391 /nfs/dbraw/zinc/14/43/91/311144391.db2.gz SBBXIQUKRMAAMH-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301573839 311145477 /nfs/dbraw/zinc/14/54/77/311145477.db2.gz ZBNYJXNDQVFQAY-OAHLLOKOSA-N 1 0 346.431 2.773 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000301575012 311145646 /nfs/dbraw/zinc/14/56/46/311145646.db2.gz QCQINDIWTYPHGK-KRWDZBQOSA-N 1 0 341.411 2.734 20 5 EFBDRO Cc1nc(NCC2([NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301640224 311149345 /nfs/dbraw/zinc/14/93/45/311149345.db2.gz LZPJJLLCDVLRHJ-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301646892 311149728 /nfs/dbraw/zinc/14/97/28/311149728.db2.gz DGAGCXPRERLMLK-NSHDSACASA-N 1 0 328.210 2.888 20 5 EFBDRO Cc1nc(NCC2(C[NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301677655 311152011 /nfs/dbraw/zinc/15/20/11/311152011.db2.gz TWJAFYKQUHEIEJ-UHFFFAOYSA-N 1 0 348.447 2.993 20 5 EFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000301742463 311155862 /nfs/dbraw/zinc/15/58/62/311155862.db2.gz YSMVNUFAEQSZSD-FUHWJXTLSA-N 1 0 341.411 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000302007326 311171533 /nfs/dbraw/zinc/17/15/33/311171533.db2.gz WJVYHJJVXSTMPS-APWZRJJASA-N 1 0 341.411 2.890 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302138184 311179730 /nfs/dbraw/zinc/17/97/30/311179730.db2.gz CFLUEYVCGADTOT-LLVKDONJSA-N 1 0 329.347 2.974 20 5 EFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000302151349 311180875 /nfs/dbraw/zinc/18/08/75/311180875.db2.gz KPLUENMMTSVTOV-QGZVFWFLSA-N 1 0 341.415 2.880 20 5 EFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302163494 311181859 /nfs/dbraw/zinc/18/18/59/311181859.db2.gz QHTFZEGQBOTGCV-UHFFFAOYSA-N 1 0 341.415 2.733 20 5 EFBDRO Cc1cc(N[C@H](C)[C@@H](C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212665 311184936 /nfs/dbraw/zinc/18/49/36/311184936.db2.gz YYDQZYBDNUARCZ-ZIAGYGMSSA-N 1 0 344.415 2.973 20 5 EFBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302232951 311186492 /nfs/dbraw/zinc/18/64/92/311186492.db2.gz STFKHGZGWQLQPN-INIZCTEOSA-N 1 0 341.415 2.876 20 5 EFBDRO CCOc1cccc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000302236475 311186840 /nfs/dbraw/zinc/18/68/40/311186840.db2.gz VQRJMMLGDWWMJV-UHFFFAOYSA-N 1 0 328.372 2.715 20 5 EFBDRO CC(=O)c1ccc(NC(C)(C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000302251781 311187251 /nfs/dbraw/zinc/18/72/51/311187251.db2.gz NCZGCPDNJDNLOB-UHFFFAOYSA-N 1 0 348.447 2.625 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](Cc3ccccc3)CC1)CCN2 ZINC000302462643 311190538 /nfs/dbraw/zinc/19/05/38/311190538.db2.gz RTUYGWXTZBFJKO-UHFFFAOYSA-N 1 0 338.411 2.885 20 5 EFBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302470482 311190629 /nfs/dbraw/zinc/19/06/29/311190629.db2.gz CSTYFPRSOHEAMX-NSHDSACASA-N 1 0 327.812 2.530 20 5 EFBDRO Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000313393920 311232760 /nfs/dbraw/zinc/23/27/60/311232760.db2.gz WUDGYDHWAQXPRX-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000325341612 311243060 /nfs/dbraw/zinc/24/30/60/311243060.db2.gz CLGYPKPCPUJPOD-SREVYHEPSA-N 1 0 329.400 2.599 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccccc2F)cccc1[N+](=O)[O-] ZINC000326467541 311244244 /nfs/dbraw/zinc/24/42/44/311244244.db2.gz SAIUCOQNMCBNJB-CQSZACIVSA-N 1 0 334.347 2.572 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000326603617 311244361 /nfs/dbraw/zinc/24/43/61/311244361.db2.gz GYGJJCOZWYMRMP-WAYWQWQTSA-N 1 0 329.400 2.600 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000327206455 311244920 /nfs/dbraw/zinc/24/49/20/311244920.db2.gz QCVHOWVBIQEGMK-ZFWWWQNUSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000330559382 311321958 /nfs/dbraw/zinc/32/19/58/311321958.db2.gz IGCDXVODJZSDHL-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000330649023 311326914 /nfs/dbraw/zinc/32/69/14/311326914.db2.gz OCGUGKOZBULEFP-OAHLLOKOSA-N 1 0 347.415 2.694 20 5 EFBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000330855654 311338861 /nfs/dbraw/zinc/33/88/61/311338861.db2.gz SCGFAXJCGVKGRC-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO COc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000331026188 311349321 /nfs/dbraw/zinc/34/93/21/311349321.db2.gz BKOXWIZVJKLHJQ-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331052195 311351092 /nfs/dbraw/zinc/35/10/92/311351092.db2.gz MHZXQUDWAQSTQR-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273492 311363979 /nfs/dbraw/zinc/36/39/79/311363979.db2.gz CQQKSIYSJRMCJB-XUJVJEKNSA-N 1 0 346.387 2.626 20 5 EFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000331273490 311364024 /nfs/dbraw/zinc/36/40/24/311364024.db2.gz CQQKSIYSJRMCJB-LALPHHSUSA-N 1 0 346.387 2.626 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331291914 311365333 /nfs/dbraw/zinc/36/53/33/311365333.db2.gz PQUOUDKGBPXLEQ-RVSPLBMKSA-N 1 0 349.431 2.713 20 5 EFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299643 311365812 /nfs/dbraw/zinc/36/58/12/311365812.db2.gz VPLMWSGKFDJERT-LALPHHSUSA-N 1 0 346.387 2.626 20 5 EFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000331299645 311365966 /nfs/dbraw/zinc/36/59/66/311365966.db2.gz VPLMWSGKFDJERT-XUJVJEKNSA-N 1 0 346.387 2.626 20 5 EFBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331430262 311376569 /nfs/dbraw/zinc/37/65/69/311376569.db2.gz JNQMMCKERLPARN-UONOGXRCSA-N 1 0 335.433 2.872 20 5 EFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000331470607 311380690 /nfs/dbraw/zinc/38/06/90/311380690.db2.gz OONPFNOUPBRQEP-GLQYFDAESA-N 1 0 332.408 2.527 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000331497072 311383087 /nfs/dbraw/zinc/38/30/87/311383087.db2.gz LFLBXRMXYPKGGN-NSHDSACASA-N 1 0 343.305 2.580 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331495640 311383124 /nfs/dbraw/zinc/38/31/24/311383124.db2.gz GSJWFBPMPXFYND-QWHCGFSZSA-N 1 0 327.388 2.738 20 5 EFBDRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331621410 311398248 /nfs/dbraw/zinc/39/82/48/311398248.db2.gz UBEHGCTZNDTUCE-OLZOCXBDSA-N 1 0 349.406 2.971 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623098 311398276 /nfs/dbraw/zinc/39/82/76/311398276.db2.gz RGNITBLBIKYKJQ-IEBWSBKVSA-N 1 0 347.459 2.655 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000332083669 311452493 /nfs/dbraw/zinc/45/24/93/311452493.db2.gz PBAZGGIMQLZDIG-HUUCEWRRSA-N 1 0 331.416 2.910 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332226489 311474594 /nfs/dbraw/zinc/47/45/94/311474594.db2.gz ZGGYODRBUMNQIM-MJBXVCDLSA-N 1 0 332.404 2.803 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332313772 311487442 /nfs/dbraw/zinc/48/74/42/311487442.db2.gz NJNUQFNTHZENPO-STQMWFEESA-N 1 0 337.395 2.780 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397346648 311960002 /nfs/dbraw/zinc/96/00/02/311960002.db2.gz SFIIFFHWGLTURS-MXWKQRLJSA-N 1 0 325.796 2.694 20 5 EFBDRO C[NH+](C)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000413147811 312046705 /nfs/dbraw/zinc/04/67/05/312046705.db2.gz WKXPWVIACVZFGU-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414293289 312049307 /nfs/dbraw/zinc/04/93/07/312049307.db2.gz MKHUFSUCNROUBY-YLQAJVPDSA-N 1 0 337.420 2.697 20 5 EFBDRO COc1ccc(-c2ccc(CNC[C@H]([NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414895667 312058877 /nfs/dbraw/zinc/05/88/77/312058877.db2.gz YNCODLKWOPVRIE-HNNXBMFYSA-N 1 0 331.372 2.690 20 5 EFBDRO [NH3+]CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000414928232 312064754 /nfs/dbraw/zinc/06/47/54/312064754.db2.gz AMLJXWAWDSOTOF-UHFFFAOYSA-N 1 0 344.318 2.589 20 5 EFBDRO COc1cc(CN[C@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414937816 312067177 /nfs/dbraw/zinc/06/71/77/312067177.db2.gz XJKPLAVWRBTRLC-CYBMUJFWSA-N 1 0 345.399 2.619 20 5 EFBDRO [NH3+]CC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)F ZINC000414984270 312071296 /nfs/dbraw/zinc/07/12/96/312071296.db2.gz DPKHXVYRPKIWMU-CYBMUJFWSA-N 1 0 325.315 2.927 20 5 EFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1cccc(F)c1 ZINC000415119533 312097502 /nfs/dbraw/zinc/09/75/02/312097502.db2.gz FPLZIFBAFIEGDR-DOTOQJQBSA-N 1 0 333.338 2.800 20 5 EFBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415445907 312140142 /nfs/dbraw/zinc/14/01/42/312140142.db2.gz SUDXNXBFSPAUOE-CYBMUJFWSA-N 1 0 346.309 2.816 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415500863 312146901 /nfs/dbraw/zinc/14/69/01/312146901.db2.gz LQHGRHVUNURHHG-OAHLLOKOSA-N 1 0 332.404 2.837 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415667631 312163028 /nfs/dbraw/zinc/16/30/28/312163028.db2.gz YGZLZYCAJPSRBX-NWDGAFQWSA-N 1 0 336.392 2.633 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415770887 312170707 /nfs/dbraw/zinc/17/07/07/312170707.db2.gz ZECNMUUXKBMFDF-UHFFFAOYSA-N 1 0 332.404 2.765 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415770827 312170768 /nfs/dbraw/zinc/17/07/68/312170768.db2.gz ZBQFCIWTEXJILH-BFHYXJOUSA-N 1 0 332.404 2.667 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415770829 312170770 /nfs/dbraw/zinc/17/07/70/312170770.db2.gz ZBQFCIWTEXJILH-HZSPNIEDSA-N 1 0 332.404 2.667 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417304160 312206098 /nfs/dbraw/zinc/20/60/98/312206098.db2.gz BMNSDUYNAWMRLC-PBHICJAKSA-N 1 0 331.416 2.961 20 5 EFBDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309769 312206996 /nfs/dbraw/zinc/20/69/96/312206996.db2.gz KANJGFIBQDFCNZ-WBMJQRKESA-N 1 0 340.445 2.775 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CN(C3CC3)CCO1)CCCC2 ZINC000417311209 312207441 /nfs/dbraw/zinc/20/74/41/312207441.db2.gz OAELQKGCHJFLKY-MJGOQNOKSA-N 1 0 345.443 2.815 20 5 EFBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417335803 312210743 /nfs/dbraw/zinc/21/07/43/312210743.db2.gz GSIJSWLCDBEXKM-FUHWJXTLSA-N 1 0 336.432 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CC1)CCCC2 ZINC000417338519 312211080 /nfs/dbraw/zinc/21/10/80/312211080.db2.gz YXMVBSGCEPAVQY-SFHVURJKSA-N 1 0 345.443 2.817 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COCC1CC1)CCCC2 ZINC000417345119 312211862 /nfs/dbraw/zinc/21/18/62/312211862.db2.gz TVFFPPRLGBRDLV-SJLPKXTDSA-N 1 0 334.416 2.739 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417397256 312218479 /nfs/dbraw/zinc/21/84/79/312218479.db2.gz XXJCPNNEKQNSDN-WCQYABFASA-N 1 0 343.374 2.984 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417712864 312259979 /nfs/dbraw/zinc/25/99/79/312259979.db2.gz FYGIATVHHACXOC-HZPDHXFCSA-N 1 0 348.447 2.734 20 5 EFBDRO CC1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417716222 312260717 /nfs/dbraw/zinc/26/07/17/312260717.db2.gz LCYQRBDQAWXVHF-UHFFFAOYSA-N 1 0 348.447 2.606 20 5 EFBDRO [NH3+]C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417739932 312263855 /nfs/dbraw/zinc/26/38/55/312263855.db2.gz ZNWIHTGLZHULIN-KRWDZBQOSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417821728 312275714 /nfs/dbraw/zinc/27/57/14/312275714.db2.gz DVHFYLRUDZDPOU-UHOFOFEASA-N 1 0 346.431 2.652 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417821729 312275715 /nfs/dbraw/zinc/27/57/15/312275715.db2.gz DVHFYLRUDZDPOU-VBNZEHGJSA-N 1 0 346.431 2.652 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417845504 312280291 /nfs/dbraw/zinc/28/02/91/312280291.db2.gz IOHMUCQTXAUEPL-IPYPFGDCSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417851173 312281690 /nfs/dbraw/zinc/28/16/90/312281690.db2.gz NBHAWHMIYBCYIY-QCEMKRCNSA-N 1 0 346.431 2.652 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417852857 312282145 /nfs/dbraw/zinc/28/21/45/312282145.db2.gz OMQHQLJMBFZHNB-INWMFGNUSA-N 1 0 334.420 2.815 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417853296 312282456 /nfs/dbraw/zinc/28/24/56/312282456.db2.gz OROKZGMFJULRAK-QWHCGFSZSA-N 1 0 334.420 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417854851 312282618 /nfs/dbraw/zinc/28/26/18/312282618.db2.gz QIAXRKKOCKXGBW-KBPBESRZSA-N 1 0 334.420 2.735 20 5 EFBDRO CC[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417859867 312283965 /nfs/dbraw/zinc/28/39/65/312283965.db2.gz XGKNCDAQYYYYPM-CJNGLKHVSA-N 1 0 334.420 2.735 20 5 EFBDRO COc1cc(C[NH2+]C[C@H](CC(C)C)OC)c([N+](=O)[O-])cc1OC ZINC000418101581 312326022 /nfs/dbraw/zinc/32/60/22/312326022.db2.gz QEFQUCGMMROHPU-ZDUSSCGKSA-N 1 0 326.393 2.763 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418234975 312351639 /nfs/dbraw/zinc/35/16/39/312351639.db2.gz RHCHYHVEYVWIQL-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO CC(C)(NC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000418514115 312360702 /nfs/dbraw/zinc/36/07/02/312360702.db2.gz GYNHHTOLDJEJSK-UHFFFAOYSA-N 1 0 334.420 2.519 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNc2c(C(N)=O)cccc2[N+](=O)[O-])c1 ZINC000420578228 312373075 /nfs/dbraw/zinc/37/30/75/312373075.db2.gz AHQIZLQLEGTJAZ-UHFFFAOYSA-N 1 0 342.399 2.758 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420586511 312373634 /nfs/dbraw/zinc/37/36/34/312373634.db2.gz OFTUHAUWGBQJCS-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420588991 312374093 /nfs/dbraw/zinc/37/40/93/312374093.db2.gz SKHHJHSXEJIAMA-CYBMUJFWSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423835789 312466761 /nfs/dbraw/zinc/46/67/61/312466761.db2.gz DUQCZUXDILUOAO-NWDGAFQWSA-N 1 0 339.823 2.890 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423941754 312486023 /nfs/dbraw/zinc/48/60/23/312486023.db2.gz PGDUDUGGEAOZJR-NHYWBVRUSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945357 312486578 /nfs/dbraw/zinc/48/65/78/312486578.db2.gz AUTRXKXSHRWDIE-ZWNOBZJWSA-N 1 0 325.434 2.565 20 5 EFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000423950504 312487550 /nfs/dbraw/zinc/48/75/50/312487550.db2.gz YLXFSYQYIZSOGU-OAHLLOKOSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000424031764 312499745 /nfs/dbraw/zinc/49/97/45/312499745.db2.gz ICUKOAJJMPYBOE-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424035674 312500632 /nfs/dbraw/zinc/50/06/32/312500632.db2.gz FVWIUULHHNJGHE-DOTOQJQBSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424044468 312502386 /nfs/dbraw/zinc/50/23/86/312502386.db2.gz RUPQGHANDOLMHH-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CN(C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447510411 312678563 /nfs/dbraw/zinc/67/85/63/312678563.db2.gz YUDMMSHHXMHZKJ-GJZGRUSLSA-N 1 0 335.452 2.739 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000449343753 312686390 /nfs/dbraw/zinc/68/63/90/312686390.db2.gz MUFFYKGOJOQTRP-PLYYQAHHSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000453123333 312866029 /nfs/dbraw/zinc/86/60/29/312866029.db2.gz QICSUODFRUSLNR-CQSZACIVSA-N 1 0 342.399 2.929 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411349 312900390 /nfs/dbraw/zinc/90/03/90/312900390.db2.gz AKHHSCNOQPZOHE-QEJZJMRPSA-N 1 0 347.415 2.798 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 ZINC000453428040 312902955 /nfs/dbraw/zinc/90/29/55/312902955.db2.gz OZEUOTWBZAJHEH-AWEZNQCLSA-N 1 0 342.399 2.848 20 5 EFBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC(=O)N1 ZINC000453582086 312911954 /nfs/dbraw/zinc/91/19/54/312911954.db2.gz AZRYVYZJTLBKNO-KRWDZBQOSA-N 1 0 329.356 2.613 20 5 EFBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000457174029 313039193 /nfs/dbraw/zinc/03/91/93/313039193.db2.gz LJWMFJONYXENQQ-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458266138 313098702 /nfs/dbraw/zinc/09/87/02/313098702.db2.gz DQGBXVBYDGCHNA-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000469671489 313124772 /nfs/dbraw/zinc/12/47/72/313124772.db2.gz SQPQQOXYYSVWIA-GJZGRUSLSA-N 1 0 333.432 2.907 20 5 EFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000472339810 313187310 /nfs/dbraw/zinc/18/73/10/313187310.db2.gz UTQYZWRBFUMOKY-IAGOWNOFSA-N 1 0 333.432 2.859 20 5 EFBDRO CCOC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000474076293 313204390 /nfs/dbraw/zinc/20/43/90/313204390.db2.gz RRCGATWRUXFRQA-CZUORRHYSA-N 1 0 337.420 2.963 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000474359348 313207840 /nfs/dbraw/zinc/20/78/40/313207840.db2.gz WXQZBRFLGBGQDF-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO COc1c(C(=O)N(CC[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000475392797 313222339 /nfs/dbraw/zinc/22/23/39/313222339.db2.gz UDKLVYNOOKGELH-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)C(C)(C)C ZINC000480687059 313283212 /nfs/dbraw/zinc/28/32/12/313283212.db2.gz GAPFCTVHVALUCY-IUODEOHRSA-N 1 0 337.420 2.699 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486967783 313353926 /nfs/dbraw/zinc/35/39/26/313353926.db2.gz NNAJKEXWXSRIGL-AWEZNQCLSA-N 1 0 331.376 2.565 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000487070451 313363461 /nfs/dbraw/zinc/36/34/61/313363461.db2.gz LQWBOLYRDUSFDW-NSHDSACASA-N 1 0 335.429 2.697 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491477576 313753457 /nfs/dbraw/zinc/75/34/57/313753457.db2.gz HJEXOZONJPVZDW-GQCTYLIASA-N 1 0 335.379 2.738 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491929787 313815222 /nfs/dbraw/zinc/81/52/22/313815222.db2.gz UWCWNRPMXDVKIN-IQCBXXCUSA-N 1 0 349.406 2.937 20 5 EFBDRO Cn1ccnc1[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799321 314130056 /nfs/dbraw/zinc/13/00/56/314130056.db2.gz LPMWSVVAWSNTAI-HLRDLLSLSA-N 1 0 326.356 2.609 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492806060 314132731 /nfs/dbraw/zinc/13/27/31/314132731.db2.gz ZVZWCEZMTOIMJQ-INOXOVODSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492932113 314182517 /nfs/dbraw/zinc/18/25/17/314182517.db2.gz RVLWDAFTBPOSOL-RBJPWVEASA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000492964004 314193934 /nfs/dbraw/zinc/19/39/34/314193934.db2.gz UZYVKOLVECRHQU-KGLIPLIRSA-N 1 0 334.420 2.700 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000492980483 314199704 /nfs/dbraw/zinc/19/97/04/314199704.db2.gz DUDNOJQFXCKIAM-FNORWQNLSA-N 1 0 347.390 2.880 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000492983830 314200955 /nfs/dbraw/zinc/20/09/55/314200955.db2.gz NBIIZGIEKOVUCK-OGZRUICASA-N 1 0 339.351 2.683 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000493032876 314218170 /nfs/dbraw/zinc/21/81/70/314218170.db2.gz ZMLMHTDVADWOFF-HJWRWDBZSA-N 1 0 329.400 2.741 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493096544 314240008 /nfs/dbraw/zinc/24/00/08/314240008.db2.gz PCHBTACHGNOILF-XIXCGXIXSA-N 1 0 329.400 2.630 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000493111673 314244059 /nfs/dbraw/zinc/24/40/59/314244059.db2.gz CMQDPYVCQPNUMK-WQELODFKSA-N 1 0 347.390 2.690 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000493141113 314255518 /nfs/dbraw/zinc/25/55/18/314255518.db2.gz PAKZGSMZALABHS-OMDKTOEGSA-N 1 0 347.390 2.595 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493187377 314269617 /nfs/dbraw/zinc/26/96/17/314269617.db2.gz KGDWCZAUHZEVPL-XQRVVYSFSA-N 1 0 335.379 2.595 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493213611 314279001 /nfs/dbraw/zinc/27/90/01/314279001.db2.gz DXLVAGUBNHOXFH-WBNAFJIESA-N 1 0 347.390 2.595 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000493262672 314296285 /nfs/dbraw/zinc/29/62/85/314296285.db2.gz SZEKMVBEZBZAJP-QPJJXVBHSA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493265462 314297501 /nfs/dbraw/zinc/29/75/01/314297501.db2.gz SAZWKAMRVLHZHY-WQELODFKSA-N 1 0 347.390 2.738 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493450798 314361099 /nfs/dbraw/zinc/36/10/99/314361099.db2.gz KCTWZMATPAIHOV-SKHCZCESSA-N 1 0 343.427 2.798 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493456711 314363980 /nfs/dbraw/zinc/36/39/80/314363980.db2.gz SPUOXTIGODHKBC-STMXVASLSA-N 1 0 337.807 2.814 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494500130 314596916 /nfs/dbraw/zinc/59/69/16/314596916.db2.gz CDOBUSFKAGTGHW-TZMCWYRMSA-N 1 0 336.779 2.602 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000495939085 314885065 /nfs/dbraw/zinc/88/50/65/314885065.db2.gz BQJLVDOEXMWHRT-OAHLLOKOSA-N 1 0 348.403 2.742 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496362967 315040210 /nfs/dbraw/zinc/04/02/10/315040210.db2.gz NXLALTBIAFSEEJ-KGLIPLIRSA-N 1 0 333.388 2.738 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000511055069 315513008 /nfs/dbraw/zinc/51/30/08/315513008.db2.gz UXMCLONMBLZLOT-XJKSGUPXSA-N 1 0 349.431 2.843 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000515531762 315625711 /nfs/dbraw/zinc/62/57/11/315625711.db2.gz VEMFCOPUWOPRMC-BLLLJJGKSA-N 1 0 331.416 2.892 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000516921537 315718053 /nfs/dbraw/zinc/71/80/53/315718053.db2.gz QFIFKMYHFTUWHR-MRXNPFEDSA-N 1 0 327.384 2.513 20 5 EFBDRO COc1cc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000517921668 315787829 /nfs/dbraw/zinc/78/78/29/315787829.db2.gz KJAWIEXRHLDCGP-LBPRGKRZSA-N 1 0 347.415 2.516 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000518363006 315808235 /nfs/dbraw/zinc/80/82/35/315808235.db2.gz YEHRIYFULQNIOD-VXGBXAGGSA-N 1 0 330.331 2.502 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518758320 315826543 /nfs/dbraw/zinc/82/65/43/315826543.db2.gz ZEWNZWYJJNERPF-HOCLYGCPSA-N 1 0 330.384 2.728 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000519086570 315843908 /nfs/dbraw/zinc/84/39/08/315843908.db2.gz BDMKPAJSRKYIAG-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccc(CC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000521433740 316023134 /nfs/dbraw/zinc/02/31/34/316023134.db2.gz VICQLUYPHLQVSM-UHFFFAOYSA-N 1 0 349.431 2.514 20 5 EFBDRO Cc1c(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000521965191 316055361 /nfs/dbraw/zinc/05/53/61/316055361.db2.gz PPPUCLNDVCVABL-CQSZACIVSA-N 1 0 333.432 2.588 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000525985669 316269293 /nfs/dbraw/zinc/26/92/93/316269293.db2.gz WMTMBTLHDOXIPZ-WWGRRREGSA-N 1 0 336.388 2.541 20 5 EFBDRO CNc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000530659061 317161652 /nfs/dbraw/zinc/16/16/52/317161652.db2.gz NNHZJKUUCSWIQB-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)Cc1ccccc1 ZINC000530833227 317183799 /nfs/dbraw/zinc/18/37/99/317183799.db2.gz XVPCGSDETCEOKV-CQSZACIVSA-N 1 0 344.415 2.574 20 5 EFBDRO COC(=O)CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000531479156 317272651 /nfs/dbraw/zinc/27/26/51/317272651.db2.gz IPLCFSHLNFJXDS-UHFFFAOYSA-N 1 0 347.371 2.901 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1ccncc1 ZINC000531994187 317340732 /nfs/dbraw/zinc/34/07/32/317340732.db2.gz XGBOJPIVNHSQSA-ZIAGYGMSSA-N 1 0 342.399 2.928 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1[N+](=O)[O-] ZINC000532321990 317384830 /nfs/dbraw/zinc/38/48/30/317384830.db2.gz KVDGNUVTVXLPDJ-UHFFFAOYSA-N 1 0 346.408 2.523 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cn1 ZINC000535785710 317611273 /nfs/dbraw/zinc/61/12/73/317611273.db2.gz BOOTXQAUDMGIJU-FUHWJXTLSA-N 1 0 338.411 2.916 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000539076782 317714692 /nfs/dbraw/zinc/71/46/92/317714692.db2.gz GGVODOBKIRRKRK-MFKMUULPSA-N 1 0 345.321 2.717 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000540607188 317747890 /nfs/dbraw/zinc/74/78/90/317747890.db2.gz BMCRYXTUGBLDEO-YLGOIMDESA-N 1 0 349.431 2.961 20 5 EFBDRO COc1ccc(CC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000544334066 317881732 /nfs/dbraw/zinc/88/17/32/317881732.db2.gz BAHLETNEOIZPTR-CQSZACIVSA-N 1 0 349.431 2.527 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000547760497 318038247 /nfs/dbraw/zinc/03/82/47/318038247.db2.gz FGZVVSAJZOHPEB-AWEZNQCLSA-N 1 0 336.367 2.826 20 5 EFBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548067207 318069465 /nfs/dbraw/zinc/06/94/65/318069465.db2.gz AHZDYLYYYLYGOY-CQSZACIVSA-N 1 0 348.424 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000548180569 318082139 /nfs/dbraw/zinc/08/21/39/318082139.db2.gz LKIUFAYCGGFYAX-UHFFFAOYSA-N 1 0 329.404 2.531 20 5 EFBDRO O=C1CCCN1[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623522 318125016 /nfs/dbraw/zinc/12/50/16/318125016.db2.gz IMLLEWXFMKQHGP-LBPRGKRZSA-N 1 0 337.807 2.835 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548826291 318147720 /nfs/dbraw/zinc/14/77/20/318147720.db2.gz WFROXPJFSPUICS-UHFFFAOYSA-N 1 0 329.356 2.722 20 5 EFBDRO Cc1ccccc1OC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173495 318168133 /nfs/dbraw/zinc/16/81/33/318168133.db2.gz RHBKUXLMYDQCMZ-GOSISDBHSA-N 1 0 344.411 2.817 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000549780780 318182267 /nfs/dbraw/zinc/18/22/67/318182267.db2.gz PZAMPWOKMGYNSB-QGZVFWFLSA-N 1 0 342.395 2.656 20 5 EFBDRO CC(C)C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000551099409 318201839 /nfs/dbraw/zinc/20/18/39/318201839.db2.gz LNORNCHLNDHIFT-CQSZACIVSA-N 1 0 335.448 2.965 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(Cl)c1 ZINC000551558964 318210123 /nfs/dbraw/zinc/21/01/23/318210123.db2.gz RAAXYNJPPYVGLC-AWEZNQCLSA-N 1 0 336.775 2.778 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554113787 318301444 /nfs/dbraw/zinc/30/14/44/318301444.db2.gz XKLNIDURGLVNNL-AFIMGQEJSA-N 1 0 345.443 2.887 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000554116540 318301711 /nfs/dbraw/zinc/30/17/11/318301711.db2.gz KPINCKZXCGUDBW-JJRVBVJISA-N 1 0 331.416 2.784 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[C@@H](CO)C2)n1 ZINC000554402277 318311180 /nfs/dbraw/zinc/31/11/80/318311180.db2.gz MQTWRIGBULJLSI-ZJIFWQFVSA-N 1 0 336.436 2.663 20 5 EFBDRO CC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000554586325 318326758 /nfs/dbraw/zinc/32/67/58/318326758.db2.gz WUKMXWOHHLJKSA-UHFFFAOYSA-N 1 0 335.404 2.834 20 5 EFBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000555321484 318353002 /nfs/dbraw/zinc/35/30/02/318353002.db2.gz CAAMDXMQTPBQFE-GUYCJALGSA-N 1 0 331.416 2.831 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000557374696 318435272 /nfs/dbraw/zinc/43/52/72/318435272.db2.gz HYVNGACOCHAMCD-WFASDCNBSA-N 1 0 336.413 2.617 20 5 EFBDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000558501687 318472493 /nfs/dbraw/zinc/47/24/93/318472493.db2.gz NPEXBAGMBZRJGD-BZUAXINKSA-N 1 0 337.468 2.985 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000558689160 318485822 /nfs/dbraw/zinc/48/58/22/318485822.db2.gz NRGURCWQQRYLMN-UHFFFAOYSA-N 1 0 347.337 2.590 20 5 EFBDRO O=C(CC[NH2+]CC1(CCO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000563137555 318744883 /nfs/dbraw/zinc/74/48/83/318744883.db2.gz GTDDXNLQJFLELE-UHFFFAOYSA-N 1 0 349.431 2.846 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563271172 318761830 /nfs/dbraw/zinc/76/18/30/318761830.db2.gz KGBHUDVKEUDUIZ-COSNYCCFSA-N 1 0 329.400 2.599 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563692790 318810273 /nfs/dbraw/zinc/81/02/73/318810273.db2.gz QXFMFMYQYTVFJF-UHFFFAOYSA-N 1 0 336.436 2.903 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000564224091 318849122 /nfs/dbraw/zinc/84/91/22/318849122.db2.gz RWPIBULOLJXGLW-UHFFFAOYSA-N 1 0 341.411 2.671 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000564812394 318894426 /nfs/dbraw/zinc/89/44/26/318894426.db2.gz MMIMHHZOEAZJSV-NBOOPKSLSA-N 1 0 342.399 2.523 20 5 EFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000565194116 318944801 /nfs/dbraw/zinc/94/48/01/318944801.db2.gz DJHCTPGIVKTBJA-UHFFFAOYSA-N 1 0 331.376 2.603 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000565293749 318955373 /nfs/dbraw/zinc/95/53/73/318955373.db2.gz ODUZLJQKFUAVDM-MRXNPFEDSA-N 1 0 346.431 2.514 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565300025 318956171 /nfs/dbraw/zinc/95/61/71/318956171.db2.gz MICMRVVSSUCYRT-SJKOYZFVSA-N 1 0 340.383 2.725 20 5 EFBDRO CC[C@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565654566 318990141 /nfs/dbraw/zinc/99/01/41/318990141.db2.gz MHXDOSYPTGAOEB-UONOGXRCSA-N 1 0 340.445 2.784 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCn2ccnc2)n1 ZINC000565755281 318998384 /nfs/dbraw/zinc/99/83/84/318998384.db2.gz ISSXOKHJOJEKHR-LSDHHAIUSA-N 1 0 332.408 2.542 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000566111462 319034079 /nfs/dbraw/zinc/03/40/79/319034079.db2.gz GXCKSAARPMUJOS-GFCCVEGCSA-N 1 0 330.331 2.502 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000566125534 319036573 /nfs/dbraw/zinc/03/65/73/319036573.db2.gz TUZZFKGSDAEOML-JFIYKMOQSA-N 1 0 342.395 2.870 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)c2conc2C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000566473240 319081541 /nfs/dbraw/zinc/08/15/41/319081541.db2.gz HCLDWSNKNJMBBM-SNVBAGLBSA-N 1 0 332.360 2.576 20 5 EFBDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000566542158 319087444 /nfs/dbraw/zinc/08/74/44/319087444.db2.gz DWROJTKGVVCDOB-LSDHHAIUSA-N 1 0 332.408 2.529 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCc3occc32)c1 ZINC000567464492 319174052 /nfs/dbraw/zinc/17/40/52/319174052.db2.gz VRIJEAXNUJEHMH-CJNGLKHVSA-N 1 0 332.356 2.595 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000567464494 319174059 /nfs/dbraw/zinc/17/40/59/319174059.db2.gz VRIJEAXNUJEHMH-XJKSGUPXSA-N 1 0 332.356 2.595 20 5 EFBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000567680997 319196243 /nfs/dbraw/zinc/19/62/43/319196243.db2.gz KBGVFHHUHNLFQJ-WMLDXEAASA-N 1 0 344.415 2.555 20 5 EFBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567689216 319197910 /nfs/dbraw/zinc/19/79/10/319197910.db2.gz FPRBYVKBJQQALW-NSHDSACASA-N 1 0 346.387 2.922 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1COc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000567708781 319201825 /nfs/dbraw/zinc/20/18/25/319201825.db2.gz WGSALVNQYRJCAJ-ZDUSSCGKSA-N 1 0 341.367 2.689 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCC3(F)F)CC2)cn1 ZINC000568473729 319286065 /nfs/dbraw/zinc/28/60/65/319286065.db2.gz PZWIGKHYRSOHOO-LBPRGKRZSA-N 1 0 326.347 2.547 20 5 EFBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000568891547 319328954 /nfs/dbraw/zinc/32/89/54/319328954.db2.gz UYQSSOCZMFAWGN-LJQANCHMSA-N 1 0 339.395 2.989 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743105 319409682 /nfs/dbraw/zinc/40/96/82/319409682.db2.gz GELQHZJJFFXCEL-OAHLLOKOSA-N 1 0 343.383 2.893 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000570322256 319465027 /nfs/dbraw/zinc/46/50/27/319465027.db2.gz FSXMDUCKTVONQG-WBVHZDCISA-N 1 0 342.395 2.654 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570563830 319489126 /nfs/dbraw/zinc/48/91/26/319489126.db2.gz BUYQXJACBNHQLX-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@]12CCCO2 ZINC000570650085 319498234 /nfs/dbraw/zinc/49/82/34/319498234.db2.gz OCWWBNXMDAPGFG-BZZMCLGOSA-N 1 0 332.400 2.898 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000572047437 319631929 /nfs/dbraw/zinc/63/19/29/319631929.db2.gz HFCUHSPADPLKOU-INIZCTEOSA-N 1 0 334.416 2.991 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000572869012 319712329 /nfs/dbraw/zinc/71/23/29/319712329.db2.gz IMPYKHNGYYYNJW-NSHDSACASA-N 1 0 337.807 2.852 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000573844807 319804291 /nfs/dbraw/zinc/80/42/91/319804291.db2.gz LQJZGWGRVFHAAG-ZFWWWQNUSA-N 1 0 333.432 2.905 20 5 EFBDRO C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574150862 319834430 /nfs/dbraw/zinc/83/44/30/319834430.db2.gz HLDMTSLPBHQLLE-KBPBESRZSA-N 1 0 334.372 2.538 20 5 EFBDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000574795460 319895453 /nfs/dbraw/zinc/89/54/53/319895453.db2.gz LKQUZFZWXRKGGA-CABCVRRESA-N 1 0 331.416 2.643 20 5 EFBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000575160925 319930991 /nfs/dbraw/zinc/93/09/91/319930991.db2.gz FAJMHLOZEGATOF-YOEHRIQHSA-N 1 0 337.395 2.765 20 5 EFBDRO Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000575160923 319931040 /nfs/dbraw/zinc/93/10/40/319931040.db2.gz FAJMHLOZEGATOF-RHSMWYFYSA-N 1 0 337.395 2.765 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000576099913 319983439 /nfs/dbraw/zinc/98/34/39/319983439.db2.gz GRMXAZJOJOODFP-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576525919 320024107 /nfs/dbraw/zinc/02/41/07/320024107.db2.gz MYTBVMHFGZAJSH-DOMZBBRYSA-N 1 0 347.371 2.882 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000576679155 320037901 /nfs/dbraw/zinc/03/79/01/320037901.db2.gz BCJROMYOOILVHM-OAHLLOKOSA-N 1 0 328.372 2.735 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000577622909 320128841 /nfs/dbraw/zinc/12/88/41/320128841.db2.gz XBNXIUMYZBKVIN-LLVKDONJSA-N 1 0 348.371 2.536 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000577628141 320129598 /nfs/dbraw/zinc/12/95/98/320129598.db2.gz RWYVVHKZKCXJQE-HZPDHXFCSA-N 1 0 331.416 2.926 20 5 EFBDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000577772018 320143606 /nfs/dbraw/zinc/14/36/06/320143606.db2.gz LNEDBVPGVDTXCY-UHFFFAOYSA-N 1 0 343.387 2.946 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000578026492 320166586 /nfs/dbraw/zinc/16/65/86/320166586.db2.gz VMPISGAPEWHKEE-OAHLLOKOSA-N 1 0 326.356 2.725 20 5 EFBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578277250 320190387 /nfs/dbraw/zinc/19/03/87/320190387.db2.gz UZXJADDTSLBIRK-WBVHZDCISA-N 1 0 344.411 2.864 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000578668646 320228480 /nfs/dbraw/zinc/22/84/80/320228480.db2.gz JUXYMKAQAUKAAI-YTQUADARSA-N 1 0 345.443 2.550 20 5 EFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578731534 320233321 /nfs/dbraw/zinc/23/33/21/320233321.db2.gz FCLXOLJLASLHQE-CJNGLKHVSA-N 1 0 339.823 2.971 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccco2)cc1[N+](=O)[O-] ZINC000181840278 323253155 /nfs/dbraw/zinc/25/31/55/323253155.db2.gz PZRHUJJGQSGNLR-ZFWWWQNUSA-N 1 0 334.372 2.725 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000182254197 323272379 /nfs/dbraw/zinc/27/23/79/323272379.db2.gz VIILHHXFEYVNEZ-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000182369459 323279499 /nfs/dbraw/zinc/27/94/99/323279499.db2.gz RORDTRJZDNYYOT-GDBMZVCRSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182389018 323280631 /nfs/dbraw/zinc/28/06/31/323280631.db2.gz XFZBJPNIIGWTDD-GDBMZVCRSA-N 1 0 349.387 2.680 20 5 EFBDRO COc1ccc([C@H](CCO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182403456 323281858 /nfs/dbraw/zinc/28/18/58/323281858.db2.gz XOIBCFJRHFMZSH-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO C[S@@](=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183069193 323314724 /nfs/dbraw/zinc/31/47/24/323314724.db2.gz MQPSDGHIDVHZCQ-MZNJEOGPSA-N 1 0 348.424 2.683 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184551380 323368291 /nfs/dbraw/zinc/36/82/91/323368291.db2.gz UPUCEFQMPZINBI-XQQFMLRXSA-N 1 0 337.395 2.826 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184750370 323373411 /nfs/dbraw/zinc/37/34/11/323373411.db2.gz TUCRZOGJZVLKMX-LBPRGKRZSA-N 1 0 325.384 2.686 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185001849 323379930 /nfs/dbraw/zinc/37/99/30/323379930.db2.gz UODZHDHEEYVZIQ-CYBMUJFWSA-N 1 0 339.411 2.884 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185422417 323390621 /nfs/dbraw/zinc/39/06/21/323390621.db2.gz WRVGWEUTIHSHEH-LBPRGKRZSA-N 1 0 325.384 2.686 20 5 EFBDRO C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000185489987 323391451 /nfs/dbraw/zinc/39/14/51/323391451.db2.gz CKXCDZPCANFWPB-NWDGAFQWSA-N 1 0 339.411 2.930 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000185560327 323392296 /nfs/dbraw/zinc/39/22/96/323392296.db2.gz FIDQBFGFEGWGGG-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO COc1ccccc1C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000185873126 323399387 /nfs/dbraw/zinc/39/93/87/323399387.db2.gz MYQLCPFLLWKADM-HNNXBMFYSA-N 1 0 332.404 2.657 20 5 EFBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192628403 323478362 /nfs/dbraw/zinc/47/83/62/323478362.db2.gz SMDBEZZXUYXNSN-MOPGFXCFSA-N 1 0 347.459 2.919 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000192902261 323483007 /nfs/dbraw/zinc/48/30/07/323483007.db2.gz QWLRJUZCTPAKMX-INIZCTEOSA-N 1 0 327.384 2.936 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194959718 323517337 /nfs/dbraw/zinc/51/73/37/323517337.db2.gz PWOMRRZSGRFWNU-UHFFFAOYSA-N 1 0 334.420 2.659 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296558652 323555178 /nfs/dbraw/zinc/55/51/78/323555178.db2.gz UJNDMQAKBVIEHO-KGLIPLIRSA-N 1 0 334.420 2.829 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000296771367 323616065 /nfs/dbraw/zinc/61/60/65/323616065.db2.gz LKPZQNYBBNVOHF-HZMBPMFUSA-N 1 0 325.796 2.772 20 5 EFBDRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296809042 323631694 /nfs/dbraw/zinc/63/16/94/323631694.db2.gz LVKYWEWBEKUNCN-ZQIUZPCESA-N 1 0 346.431 2.924 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000296884720 323666978 /nfs/dbraw/zinc/66/69/78/323666978.db2.gz JKQJVGCLUGVMRC-CYBMUJFWSA-N 1 0 342.399 2.699 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000380978467 323742731 /nfs/dbraw/zinc/74/27/31/323742731.db2.gz YXURUMHLAKACAC-WDEREUQCSA-N 1 0 340.221 2.711 20 5 EFBDRO C[C@H](C[NH3+])N(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000383003262 323749988 /nfs/dbraw/zinc/74/99/88/323749988.db2.gz XSPWUJHFNDPMKB-MRVPVSSYSA-N 1 0 339.193 2.689 20 5 EFBDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578859593 323826512 /nfs/dbraw/zinc/82/65/12/323826512.db2.gz FFJWFZRPNPTCHY-YOEHRIQHSA-N 1 0 342.395 2.920 20 5 EFBDRO COc1ccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578972487 323852924 /nfs/dbraw/zinc/85/29/24/323852924.db2.gz WDSJXIGSKDHKFX-JKSUJKDBSA-N 1 0 349.431 2.589 20 5 EFBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000579103500 323885029 /nfs/dbraw/zinc/88/50/29/323885029.db2.gz NMILJTYGYKTPEA-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO O=C1CCCN1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000579960750 324067831 /nfs/dbraw/zinc/06/78/31/324067831.db2.gz NNXRNDOOEBNVAM-LJQANCHMSA-N 1 0 339.395 2.896 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000580222079 324123732 /nfs/dbraw/zinc/12/37/32/324123732.db2.gz BEZDPXZRPKHFPT-SOUVJXGZSA-N 1 0 334.416 2.845 20 5 EFBDRO C[C@H]1CN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580390673 324151440 /nfs/dbraw/zinc/15/14/40/324151440.db2.gz WCDMHQCNQSKTAP-GUYCJALGSA-N 1 0 333.432 2.628 20 5 EFBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000580537755 324183454 /nfs/dbraw/zinc/18/34/54/324183454.db2.gz IIUGUZGAEYLBTN-SECBINFHSA-N 1 0 346.309 2.816 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000580554013 324187599 /nfs/dbraw/zinc/18/75/99/324187599.db2.gz LXZZHFBWILEAJF-DUVNUKRYSA-N 1 0 346.358 2.619 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000580737434 324224097 /nfs/dbraw/zinc/22/40/97/324224097.db2.gz UCLZAHINEMEBDG-ZBFHGGJFSA-N 1 0 346.358 2.751 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000582490995 324605584 /nfs/dbraw/zinc/60/55/84/324605584.db2.gz RDPYOXKKQZSEJO-ZDUSSCGKSA-N 1 0 334.420 2.735 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000582660947 324641826 /nfs/dbraw/zinc/64/18/26/324641826.db2.gz NCQAXASGDBEARH-CVEARBPZSA-N 1 0 342.395 2.654 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000583747423 324863993 /nfs/dbraw/zinc/86/39/93/324863993.db2.gz RKTZWWNJTVPMLF-SFHVURJKSA-N 1 0 325.368 2.773 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137441474 473206248 /nfs/dbraw/zinc/20/62/48/473206248.db2.gz ADMOBDGBBURAIY-PBHICJAKSA-N 1 0 339.395 2.988 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)nc1 ZINC000128901180 472509702 /nfs/dbraw/zinc/50/97/02/472509702.db2.gz HWVANTNZZLTQIL-CQSZACIVSA-N 1 0 338.371 2.553 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081520794 473213162 /nfs/dbraw/zinc/21/31/62/473213162.db2.gz KJFLEAOOPGFYBJ-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000124198822 473219422 /nfs/dbraw/zinc/21/94/22/473219422.db2.gz DEUYXXOVINYPKI-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000161308713 473225362 /nfs/dbraw/zinc/22/53/62/473225362.db2.gz ZDFBOMJVVWJGMR-TZMCWYRMSA-N 1 0 337.807 2.805 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000095979398 473239598 /nfs/dbraw/zinc/23/95/98/473239598.db2.gz NIEYZLGOVQGETH-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112088738 473242276 /nfs/dbraw/zinc/24/22/76/473242276.db2.gz QNQHNIQQYZYRLP-CQSZACIVSA-N 1 0 337.445 2.801 20 5 EFBDRO CN(C(=O)C[N@H+](C)C1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000141190580 473251412 /nfs/dbraw/zinc/25/14/12/473251412.db2.gz RTJLEQJCUWBCMV-UHFFFAOYSA-N 1 0 339.395 2.657 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000112310049 473254655 /nfs/dbraw/zinc/25/46/55/473254655.db2.gz PCKUNLGSZXBKBQ-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO CCCCN(C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112376650 473262487 /nfs/dbraw/zinc/26/24/87/473262487.db2.gz FOBUYLYOPUGLKY-UHFFFAOYSA-N 1 0 345.447 2.817 20 5 EFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112379555 473263225 /nfs/dbraw/zinc/26/32/25/473263225.db2.gz RNSFVFKKHHOPGL-ACJLOTCBSA-N 1 0 346.431 2.882 20 5 EFBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000143058696 473270756 /nfs/dbraw/zinc/27/07/56/473270756.db2.gz IATLCFCNVHZJIC-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000190429485 473271997 /nfs/dbraw/zinc/27/19/97/473271997.db2.gz JKMUANYXICVAOP-HOTGVXAUSA-N 1 0 330.388 2.821 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000486967775 468015440 /nfs/dbraw/zinc/01/54/40/468015440.db2.gz NMFBYWDYQHONIG-GXTWGEPZSA-N 1 0 329.360 2.684 20 5 EFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000081941500 473276129 /nfs/dbraw/zinc/27/61/29/473276129.db2.gz LMDRIORDTDMNDR-SNVBAGLBSA-N 1 0 343.225 2.896 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081995797 473283712 /nfs/dbraw/zinc/28/37/12/473283712.db2.gz QVVAHYUQSOYAMU-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO Nc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177032455 473291117 /nfs/dbraw/zinc/29/11/17/473291117.db2.gz HDBQQQBDNKPPDA-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000162022342 473295786 /nfs/dbraw/zinc/29/57/86/473295786.db2.gz NTKFTAVOQNKZAJ-KBPBESRZSA-N 1 0 345.399 2.803 20 5 EFBDRO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185034400 473306629 /nfs/dbraw/zinc/30/66/29/473306629.db2.gz VXEFAFFUGJPMTN-GFCCVEGCSA-N 1 0 349.406 2.828 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000147304668 473308028 /nfs/dbraw/zinc/30/80/28/473308028.db2.gz VNPKXXCRDBUUQF-QGZVFWFLSA-N 1 0 339.395 2.908 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000171171064 473310208 /nfs/dbraw/zinc/31/02/08/473310208.db2.gz ZJKBUPKQRRYLBK-CQSZACIVSA-N 1 0 348.447 2.905 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185053722 473314960 /nfs/dbraw/zinc/31/49/60/473314960.db2.gz UZISQNDBTTVGGQ-GUTXKFCHSA-N 1 0 331.416 2.702 20 5 EFBDRO CC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000162214494 473317197 /nfs/dbraw/zinc/31/71/97/473317197.db2.gz ZJLKQYAYQREFLR-UHFFFAOYSA-N 1 0 331.372 2.959 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000083093265 473320765 /nfs/dbraw/zinc/32/07/65/473320765.db2.gz QZOWYPRCZCSYIP-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000162258392 473320861 /nfs/dbraw/zinc/32/08/61/473320861.db2.gz GOAULPDZDJPOEY-AWEZNQCLSA-N 1 0 333.432 2.684 20 5 EFBDRO CCOC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083169727 473326621 /nfs/dbraw/zinc/32/66/21/473326621.db2.gz MQKNHWFEBSCTQB-UHFFFAOYSA-N 1 0 347.371 2.901 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000190593948 473329711 /nfs/dbraw/zinc/32/97/11/473329711.db2.gz VVNNLEREZDJDRN-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177206230 473332569 /nfs/dbraw/zinc/33/25/69/473332569.db2.gz QQBPUMHFFXVEBA-ZFWWWQNUSA-N 1 0 346.431 2.528 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214491 473333102 /nfs/dbraw/zinc/33/31/02/473333102.db2.gz HYHFKCOWMQSMPT-ZDUSSCGKSA-N 1 0 332.404 2.900 20 5 EFBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162446174 473339170 /nfs/dbraw/zinc/33/91/70/473339170.db2.gz WKFXGTXVIHFLQV-SECBINFHSA-N 1 0 345.193 2.598 20 5 EFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000125031687 473343915 /nfs/dbraw/zinc/34/39/15/473343915.db2.gz DIGHBXPMTHQKGR-SJCJKPOMSA-N 1 0 346.383 2.996 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000619723156 479866409 /nfs/dbraw/zinc/86/64/09/479866409.db2.gz OJNFYEQCZAPLHV-INIZCTEOSA-N 1 0 347.415 2.781 20 5 EFBDRO C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185246584 473376166 /nfs/dbraw/zinc/37/61/66/473376166.db2.gz JWLAIZVJSCUGDX-STQMWFEESA-N 1 0 337.395 2.638 20 5 EFBDRO Cc1c(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162790964 473383538 /nfs/dbraw/zinc/38/35/38/473383538.db2.gz ZIEKJFDSHZWZNK-KBPBESRZSA-N 1 0 333.432 2.682 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171445281 473390207 /nfs/dbraw/zinc/39/02/07/473390207.db2.gz WCDCYUKVNZKJSC-LBPRGKRZSA-N 1 0 335.429 2.627 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162846599 473390672 /nfs/dbraw/zinc/39/06/72/473390672.db2.gz BTQKMWNYYXCEKA-SOUVJXGZSA-N 1 0 347.459 2.928 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171449095 473391568 /nfs/dbraw/zinc/39/15/68/473391568.db2.gz OQBSRSLYHRVZEB-ZDUSSCGKSA-N 1 0 335.429 2.627 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171448059 473391582 /nfs/dbraw/zinc/39/15/82/473391582.db2.gz PVFRZGKALOVDPS-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291581973 474623963 /nfs/dbraw/zinc/62/39/63/474623963.db2.gz OZFCJNNTNWSETB-HXUWFJFHSA-N 1 0 337.228 2.902 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000619783475 479883379 /nfs/dbraw/zinc/88/33/79/479883379.db2.gz SAZNSAYRAVXPNW-VIFPVBQESA-N 1 0 349.368 2.674 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783604 479883798 /nfs/dbraw/zinc/88/37/98/479883798.db2.gz UOYYRNTVJVPGDO-SNVBAGLBSA-N 1 0 335.385 2.954 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000619785557 479885458 /nfs/dbraw/zinc/88/54/58/479885458.db2.gz LCVCTXASANOZFH-MRXNPFEDSA-N 1 0 328.368 2.909 20 5 EFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000312057645 474846219 /nfs/dbraw/zinc/84/62/19/474846219.db2.gz BATZLYZIWANFKD-GXSJLCMTSA-N 1 0 328.210 2.886 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000331655652 475366361 /nfs/dbraw/zinc/36/63/61/475366361.db2.gz WQJHUPFIPBULLY-RDTXWAMCSA-N 1 0 346.431 2.749 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362083530 475985444 /nfs/dbraw/zinc/98/54/44/475985444.db2.gz PKYIHAFPKNJLAC-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452042868 476791288 /nfs/dbraw/zinc/79/12/88/476791288.db2.gz GENHEMMYUJQZKQ-XZLOLGPPSA-N 1 0 346.427 2.703 20 5 EFBDRO [NH3+]C1(c2noc(CCNc3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424339585 477374165 /nfs/dbraw/zinc/37/41/65/477374165.db2.gz DEHJETISRWQXFG-UHFFFAOYSA-N 1 0 331.376 2.751 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602452538 479340411 /nfs/dbraw/zinc/34/04/11/479340411.db2.gz CXVSIJJBOQWVKA-VIFPVBQESA-N 1 0 348.266 2.945 20 5 EFBDRO CC(C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccnn1C ZINC000602630927 479436840 /nfs/dbraw/zinc/43/68/40/479436840.db2.gz PMKFWMXHWHHQNE-CYBMUJFWSA-N 1 0 343.387 2.999 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000602637206 479441358 /nfs/dbraw/zinc/44/13/58/479441358.db2.gz MULJKCVPPOSMFD-OAHLLOKOSA-N 1 0 340.383 2.818 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882747 479495115 /nfs/dbraw/zinc/49/51/15/479495115.db2.gz LECKJDUUADYWJC-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO CSc1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593882921 479495129 /nfs/dbraw/zinc/49/51/29/479495129.db2.gz NPDNDJOKHYMZGF-UHFFFAOYSA-N 1 0 337.445 2.875 20 5 EFBDRO CC(=O)NC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000612181362 479607382 /nfs/dbraw/zinc/60/73/82/479607382.db2.gz GSNXIUYDMMWUJI-UHFFFAOYSA-N 1 0 346.387 2.615 20 5 EFBDRO Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000616394515 479898361 /nfs/dbraw/zinc/89/83/61/479898361.db2.gz AADZKPSGDCIGJB-VXGBXAGGSA-N 1 0 333.413 2.797 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000619903065 479915864 /nfs/dbraw/zinc/91/58/64/479915864.db2.gz UPFKEWBEHYNZHW-OAHLLOKOSA-N 1 0 349.434 2.895 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(-n2cncn2)cn1 ZINC000616487221 479923922 /nfs/dbraw/zinc/92/39/22/479923922.db2.gz DGZUWHIWQKPICH-NTUHNPAUSA-N 1 0 336.355 2.508 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000003294999 471442550 /nfs/dbraw/zinc/44/25/50/471442550.db2.gz LWYPBQSLBNZWSI-QGZVFWFLSA-N 1 0 327.384 2.936 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC[NH+](C)C ZINC000613234270 479931465 /nfs/dbraw/zinc/93/14/65/479931465.db2.gz XFUDRRNTECANAR-INIZCTEOSA-N 1 0 335.448 2.964 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007783591 471637592 /nfs/dbraw/zinc/63/75/92/471637592.db2.gz DMZFIKMKYCYWDM-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000008351718 471683454 /nfs/dbraw/zinc/68/34/54/471683454.db2.gz OXXXBGKQROTNLL-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000008351721 471683483 /nfs/dbraw/zinc/68/34/83/471683483.db2.gz OXXXBGKQROTNLL-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000008367020 471684764 /nfs/dbraw/zinc/68/47/64/471684764.db2.gz ATUZOXJBXGACMM-OAHLLOKOSA-N 1 0 325.368 2.599 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000008406581 471686861 /nfs/dbraw/zinc/68/68/61/471686861.db2.gz PSTHGHXQVWMDTO-INIZCTEOSA-N 1 0 325.368 2.599 20 5 EFBDRO NC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015171871 471891896 /nfs/dbraw/zinc/89/18/96/471891896.db2.gz FWBVWQGAFXZPHM-OAHLLOKOSA-N 1 0 344.371 2.536 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000017794476 471964505 /nfs/dbraw/zinc/96/45/05/471964505.db2.gz OJKCCCNCHSPPKM-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067026862 471984198 /nfs/dbraw/zinc/98/41/98/471984198.db2.gz MULXHJRZXIEUEX-INIZCTEOSA-N 1 0 339.395 2.908 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067269096 472012548 /nfs/dbraw/zinc/01/25/48/472012548.db2.gz YQMMHHSSOWVAIE-SFHVURJKSA-N 1 0 341.411 2.865 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000022373282 472014267 /nfs/dbraw/zinc/01/42/67/472014267.db2.gz FNFMLLKJSMATIP-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000053561614 472019645 /nfs/dbraw/zinc/01/96/45/472019645.db2.gz MCCSNDSDJJWQNC-OLZOCXBDSA-N 1 0 334.420 2.629 20 5 EFBDRO CNC(=O)c1ccc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053577094 472020903 /nfs/dbraw/zinc/02/09/03/472020903.db2.gz ICJNFNXKLKLFBZ-ACJLOTCBSA-N 1 0 348.447 2.877 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000067679557 472070168 /nfs/dbraw/zinc/07/01/68/472070168.db2.gz YRCMZRXUFPOUEI-UHFFFAOYSA-N 1 0 327.384 2.977 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054286727 472073179 /nfs/dbraw/zinc/07/31/79/472073179.db2.gz UUXUFNVKVBGFKW-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067724604 472079158 /nfs/dbraw/zinc/07/91/58/472079158.db2.gz HRVOQOGHSIKFLQ-UHFFFAOYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)NCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000067722807 472079227 /nfs/dbraw/zinc/07/92/27/472079227.db2.gz QHANNEZAFABFQX-KSSFIOAISA-N 1 0 348.447 2.905 20 5 EFBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373840 472083094 /nfs/dbraw/zinc/08/30/94/472083094.db2.gz XXXROBGHXQLTNX-ZDUSSCGKSA-N 1 0 334.401 2.551 20 5 EFBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373839 472083205 /nfs/dbraw/zinc/08/32/05/472083205.db2.gz XXXROBGHXQLTNX-CYBMUJFWSA-N 1 0 334.401 2.551 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000067753358 472083642 /nfs/dbraw/zinc/08/36/42/472083642.db2.gz FRFHGGCWANZZMZ-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000067806626 472091551 /nfs/dbraw/zinc/09/15/51/472091551.db2.gz ULZMMYUERSUDCY-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO Cc1c(NC(=O)CCN2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000041894507 472094474 /nfs/dbraw/zinc/09/44/74/472094474.db2.gz BPFIHMLYDVFRCA-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000041926671 472096945 /nfs/dbraw/zinc/09/69/45/472096945.db2.gz NTRIEIURRWDLOM-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067844966 472097625 /nfs/dbraw/zinc/09/76/25/472097625.db2.gz JGIPLVODFKUHHE-CYBMUJFWSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026161327 472125221 /nfs/dbraw/zinc/12/52/21/472125221.db2.gz ADEFJELCWMAATP-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026161089 472125362 /nfs/dbraw/zinc/12/53/62/472125362.db2.gz LXRZNIIIXZFFTD-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000026156171 472125983 /nfs/dbraw/zinc/12/59/83/472125983.db2.gz JGSAFRXIEQYCKW-UHFFFAOYSA-N 1 0 325.368 2.982 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000026447356 472135632 /nfs/dbraw/zinc/13/56/32/472135632.db2.gz BTZJHTFQRJWBQV-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccoc1C ZINC000055052878 472135927 /nfs/dbraw/zinc/13/59/27/472135927.db2.gz XEMVGJJRJOLOMQ-UHFFFAOYSA-N 1 0 347.371 2.965 20 5 EFBDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000026476364 472138320 /nfs/dbraw/zinc/13/83/20/472138320.db2.gz WXMJDZFVWGJXIG-ZFWWWQNUSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000068133648 472140735 /nfs/dbraw/zinc/14/07/35/472140735.db2.gz XYPWEZLTRJMJTR-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712580 472145379 /nfs/dbraw/zinc/14/53/79/472145379.db2.gz GAPXALWAIZOPHH-QGZVFWFLSA-N 1 0 330.384 2.775 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000027317976 472170536 /nfs/dbraw/zinc/17/05/36/472170536.db2.gz QKMSCOPLDILQHZ-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075669256 472178320 /nfs/dbraw/zinc/17/83/20/472178320.db2.gz HCQIPXRQPRXNJN-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000055405421 472180685 /nfs/dbraw/zinc/18/06/85/472180685.db2.gz BUOQVRGWQBAWGY-QWHCGFSZSA-N 1 0 344.415 2.926 20 5 EFBDRO CC(C)[NH+](CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000043063166 472195650 /nfs/dbraw/zinc/19/56/50/472195650.db2.gz GERRHRHAGWLLRZ-UHFFFAOYSA-N 1 0 336.436 2.855 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000084621028 472200083 /nfs/dbraw/zinc/20/00/83/472200083.db2.gz NFDAXPZMZVOIKR-UHFFFAOYSA-N 1 0 348.447 2.896 20 5 EFBDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000028142273 472214260 /nfs/dbraw/zinc/21/42/60/472214260.db2.gz SAWCDOFIVDAPBD-UHFFFAOYSA-N 1 0 344.371 2.742 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000043331392 472223418 /nfs/dbraw/zinc/22/34/18/472223418.db2.gz JHZSBJFABHIAHS-UHFFFAOYSA-N 1 0 338.795 2.997 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000043467401 472235270 /nfs/dbraw/zinc/23/52/70/472235270.db2.gz AHOZQIMZRQRCGE-KRWDZBQOSA-N 1 0 342.399 2.889 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000068782279 472241047 /nfs/dbraw/zinc/24/10/47/472241047.db2.gz ZNRHOMHJYCRBTR-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000076032701 472244750 /nfs/dbraw/zinc/24/47/50/472244750.db2.gz MZROITXJJWPYGR-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000085456932 472248716 /nfs/dbraw/zinc/24/87/16/472248716.db2.gz AXEPLDQBQKUWFD-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000055927497 472259192 /nfs/dbraw/zinc/25/91/92/472259192.db2.gz LROXZVGWUIQLHU-FUHWJXTLSA-N 1 0 334.416 2.989 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085635998 472262529 /nfs/dbraw/zinc/26/25/29/472262529.db2.gz ROLFGJYTLLJREL-KGLIPLIRSA-N 1 0 332.404 2.912 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000043885266 472272407 /nfs/dbraw/zinc/27/24/07/472272407.db2.gz GMFWZYGVTIPVIZ-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069032974 472280862 /nfs/dbraw/zinc/28/08/62/472280862.db2.gz NNHAJEWBEFTXGM-QGZVFWFLSA-N 1 0 333.432 2.924 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000069045049 472282907 /nfs/dbraw/zinc/28/29/07/472282907.db2.gz OFKUSCKONKZJHD-FDMDGMSGSA-N 1 0 331.416 2.845 20 5 EFBDRO CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000087001218 472296884 /nfs/dbraw/zinc/29/68/84/472296884.db2.gz LBYOMMVSVDQNSO-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044389100 472304062 /nfs/dbraw/zinc/30/40/62/472304062.db2.gz DEHNBZKVMMZITI-WDEREUQCSA-N 1 0 341.209 2.791 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000087105637 472305955 /nfs/dbraw/zinc/30/59/55/472305955.db2.gz QKDBGOAXSXZJGA-CABCVRRESA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000044487811 472310414 /nfs/dbraw/zinc/31/04/14/472310414.db2.gz IDPDOINADMSJMF-GFCCVEGCSA-N 1 0 345.424 2.833 20 5 EFBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000087157495 472310897 /nfs/dbraw/zinc/31/08/97/472310897.db2.gz JPMUXHVKNLTZMV-OAHLLOKOSA-N 1 0 333.432 2.766 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056362085 472311951 /nfs/dbraw/zinc/31/19/51/472311951.db2.gz SNQHWSXLHQSFOM-QLFBSQMISA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000087204598 472314798 /nfs/dbraw/zinc/31/47/98/472314798.db2.gz UAFKJAPAUHQTGK-HNNXBMFYSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1ccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000069370857 472330278 /nfs/dbraw/zinc/33/02/78/472330278.db2.gz CRGTURLFMJUEOB-UHFFFAOYSA-N 1 0 349.431 2.571 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000069444611 472345935 /nfs/dbraw/zinc/34/59/35/472345935.db2.gz OITPTKPJRPUORH-SOFGYWHQSA-N 1 0 347.390 2.834 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000069517145 472361862 /nfs/dbraw/zinc/36/18/62/472361862.db2.gz VZAFJLLTJSDXQS-UHFFFAOYSA-N 1 0 336.388 2.721 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044997516 472362924 /nfs/dbraw/zinc/36/29/24/472362924.db2.gz MGTYIZIEZMHUEH-OCCSQVGLSA-N 1 0 337.445 2.676 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000057004764 472372740 /nfs/dbraw/zinc/37/27/40/472372740.db2.gz UIIMVHOMNVAZIG-GASCZTMLSA-N 1 0 348.447 2.762 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607765 472377713 /nfs/dbraw/zinc/37/77/13/472377713.db2.gz GBUUJYQSXWZUIH-CVEARBPZSA-N 1 0 346.431 2.535 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000069627157 472385507 /nfs/dbraw/zinc/38/55/07/472385507.db2.gz BNYUCCTZWBHECG-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000031653782 472386922 /nfs/dbraw/zinc/38/69/22/472386922.db2.gz VGQDUZPIYZCNBB-LLVKDONJSA-N 1 0 333.388 2.805 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000613389132 479984644 /nfs/dbraw/zinc/98/46/44/479984644.db2.gz JDYLYICSUWGGPL-RDTXWAMCSA-N 1 0 330.384 2.728 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000154175468 472398322 /nfs/dbraw/zinc/39/83/22/472398322.db2.gz VYDVKVUGVOMCPK-OAHLLOKOSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076795481 472405176 /nfs/dbraw/zinc/40/51/76/472405176.db2.gz POBNKOCJTIEDIJ-CYBMUJFWSA-N 1 0 334.420 2.618 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000089302720 472409150 /nfs/dbraw/zinc/40/91/50/472409150.db2.gz ADGHDBCWCPWYCG-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000089307248 472410710 /nfs/dbraw/zinc/41/07/10/472410710.db2.gz CIOOMYJEAAHBND-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO CN(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccco1 ZINC000128207851 472418271 /nfs/dbraw/zinc/41/82/71/472418271.db2.gz XTSITLXRCSLMLE-ZDUSSCGKSA-N 1 0 337.763 2.874 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000154331515 472419545 /nfs/dbraw/zinc/41/95/45/472419545.db2.gz CHCZIXCSZHCVGO-QGZVFWFLSA-N 1 0 333.432 2.764 20 5 EFBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cscn1 ZINC000128362324 472441586 /nfs/dbraw/zinc/44/15/86/472441586.db2.gz AMYQUVXSAFRAGZ-UHFFFAOYSA-N 1 0 338.364 2.651 20 5 EFBDRO Cc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)o1 ZINC000069847400 472449136 /nfs/dbraw/zinc/44/91/36/472449136.db2.gz TZPIXECLMYDWKU-CYBMUJFWSA-N 1 0 333.392 2.787 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000057544160 472449602 /nfs/dbraw/zinc/44/96/02/472449602.db2.gz APSGSFFRZYGLDZ-VXGBXAGGSA-N 1 0 325.434 2.754 20 5 EFBDRO Cc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)o1 ZINC000069847401 472449990 /nfs/dbraw/zinc/44/99/90/472449990.db2.gz TZPIXECLMYDWKU-ZDUSSCGKSA-N 1 0 333.392 2.787 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057617909 472455378 /nfs/dbraw/zinc/45/53/78/472455378.db2.gz KNDGDTZWBSKPIZ-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000089545599 472458692 /nfs/dbraw/zinc/45/86/92/472458692.db2.gz QBASIZIQMKZGCO-CYBMUJFWSA-N 1 0 327.384 2.895 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000032735604 472460452 /nfs/dbraw/zinc/46/04/52/472460452.db2.gz VFXZYXOYDUWJML-AWEZNQCLSA-N 1 0 331.372 2.783 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580830 472460785 /nfs/dbraw/zinc/46/07/85/472460785.db2.gz MHRCVWVSAXIHJF-MRXNPFEDSA-N 1 0 330.384 2.821 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032733393 472461404 /nfs/dbraw/zinc/46/14/04/472461404.db2.gz UNMLAVZIRQKLDQ-STQMWFEESA-N 1 0 335.404 2.596 20 5 EFBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000032763410 472465029 /nfs/dbraw/zinc/46/50/29/472465029.db2.gz PMQAFBZUBHPPCF-NSHDSACASA-N 1 0 335.385 2.816 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057716857 472467572 /nfs/dbraw/zinc/46/75/72/472467572.db2.gz HIIOEDKEJPCANG-NWDGAFQWSA-N 1 0 337.445 2.674 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000128573707 472470298 /nfs/dbraw/zinc/47/02/98/472470298.db2.gz AFADNNFPJUZEPI-KRWDZBQOSA-N 1 0 327.384 2.952 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000089628525 472471661 /nfs/dbraw/zinc/47/16/61/472471661.db2.gz UVXDULVSHSIZSE-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128598897 472473036 /nfs/dbraw/zinc/47/30/36/472473036.db2.gz LCXRGAOHOMUGCA-CHWSQXEVSA-N 1 0 346.412 2.718 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000128609614 472474840 /nfs/dbraw/zinc/47/48/40/472474840.db2.gz LIGAVBQDKJZDSI-WCQYABFASA-N 1 0 339.367 2.562 20 5 EFBDRO Cc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089643945 472475913 /nfs/dbraw/zinc/47/59/13/472475913.db2.gz WBTOLJKUSYJWFF-QZTJIDSGSA-N 1 0 341.411 2.951 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000097220202 472482164 /nfs/dbraw/zinc/48/21/64/472482164.db2.gz ISZYMRWHXQRDGZ-FPLPWBNLSA-N 1 0 331.416 2.941 20 5 EFBDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057834473 472482858 /nfs/dbraw/zinc/48/28/58/472482858.db2.gz OHYOHKCOMDASLG-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057834476 472483054 /nfs/dbraw/zinc/48/30/54/472483054.db2.gz OHYOHKCOMDASLG-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000058087317 472503259 /nfs/dbraw/zinc/50/32/59/472503259.db2.gz BPYKAIJNXQNCTA-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000058118789 472504689 /nfs/dbraw/zinc/50/46/89/472504689.db2.gz HMTWWDMPXDCOKJ-UHFFFAOYSA-N 1 0 332.335 2.630 20 5 EFBDRO C[N@H+](CCCc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046087324 472510277 /nfs/dbraw/zinc/51/02/77/472510277.db2.gz DLJHEEDMBRBEOD-SFHVURJKSA-N 1 0 344.411 2.899 20 5 EFBDRO COc1cccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)c1 ZINC000070790989 472512440 /nfs/dbraw/zinc/51/24/40/472512440.db2.gz MMFFZLLCGBMWCC-OAHLLOKOSA-N 1 0 345.403 2.586 20 5 EFBDRO CNC(=O)CCC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000155206988 472520263 /nfs/dbraw/zinc/52/02/63/472520263.db2.gz CYEAOQPZGLLAPS-UHFFFAOYSA-N 1 0 338.407 2.904 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119062662 472522650 /nfs/dbraw/zinc/52/26/50/472522650.db2.gz FHYOBBBGYFFNMK-AWEZNQCLSA-N 1 0 334.420 2.616 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038441 472536128 /nfs/dbraw/zinc/53/61/28/472536128.db2.gz GHHLBJUNLVMYRU-ZZXKWVIFSA-N 1 0 335.323 2.827 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000046353916 472546461 /nfs/dbraw/zinc/54/64/61/472546461.db2.gz SZZMYZVJRZKYMW-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119791996 472583574 /nfs/dbraw/zinc/58/35/74/472583574.db2.gz XOFNDIJMTSHDBJ-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000046721824 472589543 /nfs/dbraw/zinc/58/95/43/472589543.db2.gz BJWOUJLSSHLOKJ-UHFFFAOYSA-N 1 0 329.356 2.788 20 5 EFBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090089220 472593321 /nfs/dbraw/zinc/59/33/21/472593321.db2.gz HFZICKOUWNXHKO-UHFFFAOYSA-N 1 0 330.388 2.647 20 5 EFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000155793572 472616810 /nfs/dbraw/zinc/61/68/10/472616810.db2.gz YLGORDXQKXFLKK-UHFFFAOYSA-N 1 0 341.795 2.545 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000046885245 472616802 /nfs/dbraw/zinc/61/68/02/472616802.db2.gz QCSDWSUITLBYNE-OAHLLOKOSA-N 1 0 344.415 2.606 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000090447467 472620484 /nfs/dbraw/zinc/62/04/84/472620484.db2.gz QXYGVFNBNSTUMR-OIISXLGYSA-N 1 0 331.416 2.516 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130797874 472628875 /nfs/dbraw/zinc/62/88/75/472628875.db2.gz CTAXTISCKGKBCT-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1cccc(OC)c1 ZINC000090519098 472628916 /nfs/dbraw/zinc/62/89/16/472628916.db2.gz PUWUEHVBHRETKM-AWEZNQCLSA-N 1 0 345.399 2.848 20 5 EFBDRO COc1ccccc1C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090537926 472631474 /nfs/dbraw/zinc/63/14/74/472631474.db2.gz VNIKRQPYAUROJR-INIZCTEOSA-N 1 0 332.404 2.657 20 5 EFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000059894200 472632133 /nfs/dbraw/zinc/63/21/33/472632133.db2.gz TUFJQFQWWQMWAE-SJKOYZFVSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550815 472633178 /nfs/dbraw/zinc/63/31/78/472633178.db2.gz DZVIKGWUYNTIDO-CXAGYDPISA-N 1 0 345.374 2.979 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000155890493 472634428 /nfs/dbraw/zinc/63/44/28/472634428.db2.gz SOEQDOZNXIRHBA-KDOFPFPSSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046990373 472636692 /nfs/dbraw/zinc/63/66/92/472636692.db2.gz RLMYZIINACAOFJ-HNNXBMFYSA-N 1 0 333.432 2.766 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000072274279 472645558 /nfs/dbraw/zinc/64/55/58/472645558.db2.gz ZGXMHLYTYLMVIH-OAHLLOKOSA-N 1 0 334.420 2.514 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994988 472650302 /nfs/dbraw/zinc/65/03/02/472650302.db2.gz UJKVKAPGQMUPQQ-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090687219 472652189 /nfs/dbraw/zinc/65/21/89/472652189.db2.gz ATKCSZCOMDKLNM-IRXDYDNUSA-N 1 0 346.431 2.926 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688464 472652550 /nfs/dbraw/zinc/65/25/50/472652550.db2.gz QFIKUDVCQOVBST-HOTGVXAUSA-N 1 0 334.420 2.782 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060470228 472659200 /nfs/dbraw/zinc/65/92/00/472659200.db2.gz LQQGPZQNNSVXQT-LLVKDONJSA-N 1 0 331.397 2.776 20 5 EFBDRO O=C1CCCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000120278432 472661125 /nfs/dbraw/zinc/66/11/25/472661125.db2.gz ZNTJZCJGPNZUTD-UHFFFAOYSA-N 1 0 335.379 2.711 20 5 EFBDRO CNc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047187926 472665494 /nfs/dbraw/zinc/66/54/94/472665494.db2.gz WQFUCXXQSKPACM-AWEZNQCLSA-N 1 0 348.447 2.878 20 5 EFBDRO COc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047188224 472665832 /nfs/dbraw/zinc/66/58/32/472665832.db2.gz IHAJOCQPNZNFMU-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000120310520 472666133 /nfs/dbraw/zinc/66/61/33/472666133.db2.gz STBPMKPEIJRVAK-UKRRQHHQSA-N 1 0 332.404 2.960 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000120310644 472666610 /nfs/dbraw/zinc/66/66/10/472666610.db2.gz STBPMKPEIJRVAK-DZGCQCFKSA-N 1 0 332.404 2.960 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000120362910 472675510 /nfs/dbraw/zinc/67/55/10/472675510.db2.gz UUCYVTBISROXFZ-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131567745 472678298 /nfs/dbraw/zinc/67/82/98/472678298.db2.gz QDCCDGQYCMMCHI-MRXNPFEDSA-N 1 0 331.416 2.926 20 5 EFBDRO C[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCC1 ZINC000104659153 472679986 /nfs/dbraw/zinc/67/99/86/472679986.db2.gz NRJYVOYIYHGKLT-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000156237818 472680777 /nfs/dbraw/zinc/68/07/77/472680777.db2.gz RUEFPAXZPAVYDM-CYBMUJFWSA-N 1 0 346.383 2.653 20 5 EFBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104673558 472682707 /nfs/dbraw/zinc/68/27/07/472682707.db2.gz BAINYDFPBDZLSS-UHFFFAOYSA-N 1 0 331.372 2.903 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120447936 472690862 /nfs/dbraw/zinc/69/08/62/472690862.db2.gz GFOGVLWLDPOBCH-STQMWFEESA-N 1 0 347.415 2.683 20 5 EFBDRO COC1CCC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072637314 472691970 /nfs/dbraw/zinc/69/19/70/472691970.db2.gz NSLIIVTWUGJLPK-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCOc3ccccc3)C2)nc1 ZINC000072665248 472696546 /nfs/dbraw/zinc/69/65/46/472696546.db2.gz FXHASKSSOFMMSC-HNNXBMFYSA-N 1 0 342.399 2.945 20 5 EFBDRO CN(C)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665002 472697494 /nfs/dbraw/zinc/69/74/94/472697494.db2.gz QFMHGYORZOSMQR-HNNXBMFYSA-N 1 0 341.415 2.742 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000091098319 472705329 /nfs/dbraw/zinc/70/53/29/472705329.db2.gz JOSRIKQCYONZOQ-LBPRGKRZSA-N 1 0 325.434 2.631 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047416719 472706404 /nfs/dbraw/zinc/70/64/04/472706404.db2.gz PVVYZPDVIYLWKC-KBPBESRZSA-N 1 0 349.431 2.701 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725020 472708763 /nfs/dbraw/zinc/70/87/63/472708763.db2.gz JUMMUUHTOCPUBL-CABCVRRESA-N 1 0 348.447 2.728 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072731484 472709554 /nfs/dbraw/zinc/70/95/54/472709554.db2.gz TUVUHDJNHQJXFY-AWEZNQCLSA-N 1 0 332.404 2.790 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072733203 472709975 /nfs/dbraw/zinc/70/99/75/472709975.db2.gz FWZFHHCTKAMPTF-HNNXBMFYSA-N 1 0 342.399 2.660 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCOCC1 ZINC000120561295 472712003 /nfs/dbraw/zinc/71/20/03/472712003.db2.gz BJFMKMKVNKJCMF-ZDUSSCGKSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+](C)C1CC1 ZINC000120589228 472715316 /nfs/dbraw/zinc/71/53/16/472715316.db2.gz OFGZFKTWURLVKR-ZDUSSCGKSA-N 1 0 346.431 2.752 20 5 EFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156505598 472715463 /nfs/dbraw/zinc/71/54/63/472715463.db2.gz JXKCBXRQNWFPNN-CZUORRHYSA-N 1 0 333.432 2.810 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000047460394 472717453 /nfs/dbraw/zinc/71/74/53/472717453.db2.gz VAEQXUYVIKCFJI-UHFFFAOYSA-N 1 0 339.355 2.785 20 5 EFBDRO Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000072840292 472726316 /nfs/dbraw/zinc/72/63/16/472726316.db2.gz XYBOIQASEDXSTM-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000072926540 472741666 /nfs/dbraw/zinc/74/16/66/472741666.db2.gz PPNIIEZAFCCXQP-WBVHZDCISA-N 1 0 336.388 2.659 20 5 EFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCOCC1 ZINC000072947733 472745357 /nfs/dbraw/zinc/74/53/57/472745357.db2.gz GTGCZKIBQMVQDP-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000063054973 472752453 /nfs/dbraw/zinc/75/24/53/472752453.db2.gz DVQWNIMFORIDSC-UHFFFAOYSA-N 1 0 328.210 2.889 20 5 EFBDRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000073011077 472757440 /nfs/dbraw/zinc/75/74/40/472757440.db2.gz ZQFZBMZNRBIUFG-LKUPDRCFSA-N 1 0 331.416 2.845 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000091457313 472767987 /nfs/dbraw/zinc/76/79/87/472767987.db2.gz CEIHZXGRCVPWGS-CQSZACIVSA-N 1 0 348.447 2.877 20 5 EFBDRO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000091480259 472772302 /nfs/dbraw/zinc/77/23/02/472772302.db2.gz YTEBZKYVFABIBD-LJQANCHMSA-N 1 0 340.427 2.995 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000063490157 472781782 /nfs/dbraw/zinc/78/17/82/472781782.db2.gz LAYRJYBAGMYTNJ-NSHDSACASA-N 1 0 325.796 2.708 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000121011786 472782107 /nfs/dbraw/zinc/78/21/07/472782107.db2.gz PCRJKDLBLVPUHE-IRXDYDNUSA-N 1 0 334.416 2.701 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000047978895 472792528 /nfs/dbraw/zinc/79/25/28/472792528.db2.gz WGTKYDDRFXKYDX-MRXNPFEDSA-N 1 0 331.416 2.641 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133451367 472803763 /nfs/dbraw/zinc/80/37/63/472803763.db2.gz NYTOZTZFVKSQOL-CZUORRHYSA-N 1 0 347.415 2.692 20 5 EFBDRO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000133520425 472812470 /nfs/dbraw/zinc/81/24/70/472812470.db2.gz FMYFHCFLFHOEIJ-JQWIXIFHSA-N 1 0 330.388 2.517 20 5 EFBDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000121240461 472822712 /nfs/dbraw/zinc/82/27/12/472822712.db2.gz DOUXDZHBKPQKHW-UHFFFAOYSA-N 1 0 337.420 2.634 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000157462449 472823388 /nfs/dbraw/zinc/82/33/88/472823388.db2.gz MHYWBBGUHHGFPZ-INIZCTEOSA-N 1 0 346.387 2.646 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064126391 472835197 /nfs/dbraw/zinc/83/51/97/472835197.db2.gz VYESQLSWQZGNNL-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092010882 472841327 /nfs/dbraw/zinc/84/13/27/472841327.db2.gz UDKHMVNVCSDSTM-WBVHZDCISA-N 1 0 344.415 2.582 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000064310332 472842136 /nfs/dbraw/zinc/84/21/36/472842136.db2.gz XKMWQSHJEIFKAJ-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000121451867 472854367 /nfs/dbraw/zinc/85/43/67/472854367.db2.gz YIBNJKRZONPZHN-AWEZNQCLSA-N 1 0 347.415 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000073772144 472872036 /nfs/dbraw/zinc/87/20/36/472872036.db2.gz VTSRRTYXSLGVOQ-UHFFFAOYSA-N 1 0 341.415 2.614 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000073841272 472886181 /nfs/dbraw/zinc/88/61/81/472886181.db2.gz UIZSKLSNWKYXHU-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO CC1CC[NH+](CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000048589439 472891608 /nfs/dbraw/zinc/89/16/08/472891608.db2.gz HFMXMYFCUUQEGA-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000065124816 472900779 /nfs/dbraw/zinc/90/07/79/472900779.db2.gz REGBHZLFJBJRJF-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO CC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]1 ZINC000134387886 472901189 /nfs/dbraw/zinc/90/11/89/472901189.db2.gz INHZAZFEXVQXDV-HNNXBMFYSA-N 1 0 325.796 2.739 20 5 EFBDRO CC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]1 ZINC000134387862 472901276 /nfs/dbraw/zinc/90/12/76/472901276.db2.gz INHZAZFEXVQXDV-OAHLLOKOSA-N 1 0 325.796 2.739 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134403073 472904137 /nfs/dbraw/zinc/90/41/37/472904137.db2.gz SWSQVQMTPYWLBL-HNNXBMFYSA-N 1 0 337.420 2.571 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000134416214 472905731 /nfs/dbraw/zinc/90/57/31/472905731.db2.gz PWILRSPPPVJVNV-ZDUSSCGKSA-N 1 0 335.379 2.682 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000065208933 472907528 /nfs/dbraw/zinc/90/75/28/472907528.db2.gz ZLPSQEJVJKEQSI-UHFFFAOYSA-N 1 0 330.340 2.834 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000092406810 472908876 /nfs/dbraw/zinc/90/88/76/472908876.db2.gz QCHRUQXECSPUCX-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO O=C(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000121802593 472918697 /nfs/dbraw/zinc/91/86/97/472918697.db2.gz JNSUBWFWFFIIHV-GFCCVEGCSA-N 1 0 334.401 2.590 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000134515342 472921961 /nfs/dbraw/zinc/92/19/61/472921961.db2.gz WKWIBUIJDRSGFB-UHFFFAOYSA-N 1 0 346.774 2.606 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000134546480 472926197 /nfs/dbraw/zinc/92/61/97/472926197.db2.gz UXAWZYKAEVGNCR-OAHLLOKOSA-N 1 0 349.456 2.701 20 5 EFBDRO CS[C@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000134546501 472926336 /nfs/dbraw/zinc/92/63/36/472926336.db2.gz UXAWZYKAEVGNCR-HNNXBMFYSA-N 1 0 349.456 2.701 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121849828 472929293 /nfs/dbraw/zinc/92/92/93/472929293.db2.gz MYDNZAPBFCTVMS-KRWDZBQOSA-N 1 0 327.384 2.936 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424212 472940361 /nfs/dbraw/zinc/94/03/61/472940361.db2.gz AHSGOQWKFQMXCJ-ZDUSSCGKSA-N 1 0 335.404 2.731 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000079948276 472946288 /nfs/dbraw/zinc/94/62/88/472946288.db2.gz XTLULYJTQFRRIH-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO CCC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000121957004 472953171 /nfs/dbraw/zinc/95/31/71/472953171.db2.gz LELAEKBIBWVBBR-SFHVURJKSA-N 1 0 335.448 2.570 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134709548 472955167 /nfs/dbraw/zinc/95/51/67/472955167.db2.gz DMSWFVBHKDDNMH-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000107493225 472958210 /nfs/dbraw/zinc/95/82/10/472958210.db2.gz VFPVTKRHVPZPPK-TZMCWYRMSA-N 1 0 329.356 2.753 20 5 EFBDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000080046275 472966357 /nfs/dbraw/zinc/96/63/57/472966357.db2.gz JJBDCLSSMGJLLN-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000080046263 472966415 /nfs/dbraw/zinc/96/64/15/472966415.db2.gz JJBDCLSSMGJLLN-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000134852793 472976222 /nfs/dbraw/zinc/97/62/22/472976222.db2.gz ORKYHFGLQPRHRN-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000074317631 472985820 /nfs/dbraw/zinc/98/58/20/472985820.db2.gz VIJFUPIBOUEWCE-OZSKJFCKSA-N 1 0 343.427 2.798 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000074317634 472986098 /nfs/dbraw/zinc/98/60/98/472986098.db2.gz VIJFUPIBOUEWCE-IWAYRVGRSA-N 1 0 343.427 2.798 20 5 EFBDRO NC(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000122209508 472988643 /nfs/dbraw/zinc/98/86/43/472988643.db2.gz JABFRHGHDIEOPZ-QGZVFWFLSA-N 1 0 339.395 2.805 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000074336907 472991693 /nfs/dbraw/zinc/99/16/93/472991693.db2.gz AMXHUHOCILNYAY-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C ZINC000074334262 472991907 /nfs/dbraw/zinc/99/19/07/472991907.db2.gz JJEMULIILBDVFM-UHFFFAOYSA-N 1 0 340.399 2.555 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000122247585 472993185 /nfs/dbraw/zinc/99/31/85/472993185.db2.gz HLLDXYVGPFNALO-UHFFFAOYSA-N 1 0 347.346 2.927 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000074380879 472998284 /nfs/dbraw/zinc/99/82/84/472998284.db2.gz QVOSBMSBZLLAEH-KRWDZBQOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000065867004 473021287 /nfs/dbraw/zinc/02/12/87/473021287.db2.gz XSTZVJLANYEBFR-QGZVFWFLSA-N 1 0 348.447 2.633 20 5 EFBDRO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051128514 473027209 /nfs/dbraw/zinc/02/72/09/473027209.db2.gz KRWLIGRHMSMHJZ-UHFFFAOYSA-N 1 0 341.411 2.921 20 5 EFBDRO Cc1nn(C)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000051232092 473034312 /nfs/dbraw/zinc/03/43/12/473034312.db2.gz LGLZZIXYSATJBI-CYBMUJFWSA-N 1 0 333.392 2.869 20 5 EFBDRO CCc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000051261796 473036477 /nfs/dbraw/zinc/03/64/77/473036477.db2.gz VMQFBEOZDVJCQF-OAHLLOKOSA-N 1 0 331.420 2.914 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157941 473050444 /nfs/dbraw/zinc/05/04/44/473050444.db2.gz MYRUETURGDTGIE-LBPRGKRZSA-N 1 0 338.795 2.950 20 5 EFBDRO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108784430 473053868 /nfs/dbraw/zinc/05/38/68/473053868.db2.gz ZHDBRTUXHCQOHU-NSHDSACASA-N 1 0 335.429 2.531 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764461 473058840 /nfs/dbraw/zinc/05/88/40/473058840.db2.gz AQWKADVLIUQXSY-MRXNPFEDSA-N 1 0 348.447 2.653 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074763663 473059209 /nfs/dbraw/zinc/05/92/09/473059209.db2.gz XEYIJTSAZVLSDR-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000080680484 473068593 /nfs/dbraw/zinc/06/85/93/473068593.db2.gz XUIKXIMMJKGJNZ-AWEZNQCLSA-N 1 0 325.384 2.671 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135419470 473068675 /nfs/dbraw/zinc/06/86/75/473068675.db2.gz LGJKVHGGPRDIAX-ZDUSSCGKSA-N 1 0 334.401 2.972 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135439824 473073421 /nfs/dbraw/zinc/07/34/21/473073421.db2.gz HIUGRNFRKVWZAB-CYBMUJFWSA-N 1 0 334.401 2.972 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052101225 473086118 /nfs/dbraw/zinc/08/61/18/473086118.db2.gz PUSPUUITHBKXPF-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434428 473108647 /nfs/dbraw/zinc/10/86/47/473108647.db2.gz OOHGDPSAMNRRRJ-KWQFWETISA-N 1 0 329.198 2.682 20 5 EFBDRO Cc1cc(N2CCC(n3ccnn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000160237119 473099900 /nfs/dbraw/zinc/09/99/00/473099900.db2.gz OQBJZIJGFSLFIX-UHFFFAOYSA-N 1 0 338.371 2.884 20 5 EFBDRO COc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160293664 473104579 /nfs/dbraw/zinc/10/45/79/473104579.db2.gz WRCWFZHZNVZEPW-OKILXGFUSA-N 1 0 349.431 2.701 20 5 EFBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000135673189 473105956 /nfs/dbraw/zinc/10/59/56/473105956.db2.gz BFZJPJKEYZUXJL-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000093433879 473108454 /nfs/dbraw/zinc/10/84/54/473108454.db2.gz TZOSBGHHHYFPLS-SECBINFHSA-N 1 0 341.209 2.649 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000093460582 473111682 /nfs/dbraw/zinc/11/16/82/473111682.db2.gz CVTMWMSSTOLBAF-RRGWEWPQSA-N 1 0 348.399 2.652 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000052488272 473112606 /nfs/dbraw/zinc/11/26/06/473112606.db2.gz OKWMIXRSPOCNTK-UHFFFAOYSA-N 1 0 337.449 2.861 20 5 EFBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066564652 473114826 /nfs/dbraw/zinc/11/48/26/473114826.db2.gz JPNZCFDJBSTQLV-UHFFFAOYSA-N 1 0 334.401 2.820 20 5 EFBDRO CCc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534227 473116164 /nfs/dbraw/zinc/11/61/64/473116164.db2.gz MQHAYDXYQVWEMD-NSHDSACASA-N 1 0 333.417 2.695 20 5 EFBDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160469929 473129609 /nfs/dbraw/zinc/12/96/09/473129609.db2.gz UMRYXCFFXJPUFJ-UXLLHSPISA-N 1 0 333.432 2.981 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160514300 473135615 /nfs/dbraw/zinc/13/56/15/473135615.db2.gz SFYHNBFYXPSZQB-OLZOCXBDSA-N 1 0 337.807 2.947 20 5 EFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000136319317 473151415 /nfs/dbraw/zinc/15/14/15/473151415.db2.gz GQPZKYJGIMSUJA-UHFFFAOYSA-N 1 0 343.387 2.802 20 5 EFBDRO Cc1noc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052862965 473157014 /nfs/dbraw/zinc/15/70/14/473157014.db2.gz FZBOHBNYOBKUIP-CYBMUJFWSA-N 1 0 332.360 2.545 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000094007926 473166560 /nfs/dbraw/zinc/16/65/60/473166560.db2.gz RQYRVQVSIAMTQP-IUCAKERBSA-N 1 0 329.198 2.647 20 5 EFBDRO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000053048711 473178014 /nfs/dbraw/zinc/17/80/14/473178014.db2.gz LJRQFOHRBQVSPD-HNNXBMFYSA-N 1 0 341.411 2.947 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000094134566 473180124 /nfs/dbraw/zinc/18/01/24/473180124.db2.gz ZCRLTKIOLVGCCK-CYBMUJFWSA-N 1 0 343.431 2.749 20 5 EFBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000094159531 473183339 /nfs/dbraw/zinc/18/33/39/473183339.db2.gz PARVFEZDVXRREE-OAHLLOKOSA-N 1 0 343.431 2.967 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000110995799 473189645 /nfs/dbraw/zinc/18/96/45/473189645.db2.gz KLDSFJOUPOMZEN-QGZVFWFLSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000123887938 473194964 /nfs/dbraw/zinc/19/49/64/473194964.db2.gz YTEZIHSPFYXPET-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177596549 473404474 /nfs/dbraw/zinc/40/44/74/473404474.db2.gz KGYVBRHHCOGDDY-OLZOCXBDSA-N 1 0 337.445 2.919 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000125402652 473405398 /nfs/dbraw/zinc/40/53/98/473405398.db2.gz UHLBQCZZQSEUHA-PBHICJAKSA-N 1 0 329.400 2.570 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163101001 473414096 /nfs/dbraw/zinc/41/40/96/473414096.db2.gz XQEAXOBZWSREGH-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(C)C ZINC000113941904 473426405 /nfs/dbraw/zinc/42/64/05/473426405.db2.gz LMURQUNNALPWLI-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000177763000 473429872 /nfs/dbraw/zinc/42/98/72/473429872.db2.gz LNCDHJMHFVIWRR-OLZOCXBDSA-N 1 0 337.807 2.947 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCSC1 ZINC000163539289 473453789 /nfs/dbraw/zinc/45/37/89/473453789.db2.gz YSEKLFXHVIGRFY-OAHLLOKOSA-N 1 0 349.456 2.523 20 5 EFBDRO COc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000114383569 473458783 /nfs/dbraw/zinc/45/87/83/473458783.db2.gz QBUZEYYCNBUNEA-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO COC1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000163634883 473459854 /nfs/dbraw/zinc/45/98/54/473459854.db2.gz YRJPYLWGKXJZTE-GOSISDBHSA-N 1 0 347.459 2.616 20 5 EFBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000191029894 473460304 /nfs/dbraw/zinc/46/03/04/473460304.db2.gz VAYIKHAFPZFCPY-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000114460301 473469207 /nfs/dbraw/zinc/46/92/07/473469207.db2.gz VVSWTBNBKWWOAN-HZPDHXFCSA-N 1 0 336.388 2.587 20 5 EFBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000114641847 473489306 /nfs/dbraw/zinc/48/93/06/473489306.db2.gz QUDAITCQLJJSSH-CQSZACIVSA-N 1 0 329.356 2.582 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000178331167 473493104 /nfs/dbraw/zinc/49/31/04/473493104.db2.gz PCUDECDIVNUQEI-ZWKOTPCHSA-N 1 0 335.448 2.992 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000126379374 473512723 /nfs/dbraw/zinc/51/27/23/473512723.db2.gz DPOVLBJEMRWYJN-HZPDHXFCSA-N 1 0 331.416 2.516 20 5 EFBDRO Cc1c(Br)c(NC[C@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165843024 473516416 /nfs/dbraw/zinc/51/64/16/473516416.db2.gz YTDXQDVGBMLUSM-CYBMUJFWSA-N 1 0 343.225 2.862 20 5 EFBDRO Cc1c(Br)c(NC[C@@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165843154 473516986 /nfs/dbraw/zinc/51/69/86/473516986.db2.gz YTDXQDVGBMLUSM-ZDUSSCGKSA-N 1 0 343.225 2.862 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)CCSC ZINC000126463795 473518267 /nfs/dbraw/zinc/51/82/67/473518267.db2.gz CUKKSYDEKMZKRN-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000191367954 473531549 /nfs/dbraw/zinc/53/15/49/473531549.db2.gz FQGPIRACYQOHAT-HZPDHXFCSA-N 1 0 349.431 2.741 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191362091 473531791 /nfs/dbraw/zinc/53/17/91/473531791.db2.gz SYNGVECGHLHCDR-AEFFLSMTSA-N 1 0 341.411 2.758 20 5 EFBDRO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000172138964 473531666 /nfs/dbraw/zinc/53/16/66/473531666.db2.gz SPVKVKBZWPYKQF-KBPBESRZSA-N 1 0 334.420 2.639 20 5 EFBDRO CCOC(=O)CC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178558014 473531776 /nfs/dbraw/zinc/53/17/76/473531776.db2.gz MHJFOAKXTWLBLL-UHFFFAOYSA-N 1 0 347.371 2.677 20 5 EFBDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000126698050 473537914 /nfs/dbraw/zinc/53/79/14/473537914.db2.gz OLHRLMKGXRMMTN-ZDUSSCGKSA-N 1 0 329.404 2.806 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172256523 473562490 /nfs/dbraw/zinc/56/24/90/473562490.db2.gz LDKRFQKNQGWVML-HNNXBMFYSA-N 1 0 334.420 2.659 20 5 EFBDRO CSc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115442573 473570864 /nfs/dbraw/zinc/57/08/64/473570864.db2.gz LFJZXEZQQFGQFN-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(CCC2)C1 ZINC000170662459 473578416 /nfs/dbraw/zinc/57/84/16/473578416.db2.gz QPSRZENISPQAKZ-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO CCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000178896086 473587301 /nfs/dbraw/zinc/58/73/01/473587301.db2.gz SKLNBRKFBGBXIE-TZMCWYRMSA-N 1 0 337.445 2.676 20 5 EFBDRO CCC[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127307543 473598360 /nfs/dbraw/zinc/59/83/60/473598360.db2.gz MRRMGXQUKBYFCS-DOMZBBRYSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000186183955 473610286 /nfs/dbraw/zinc/61/02/86/473610286.db2.gz NANXQWSMILFXJZ-UHFFFAOYSA-N 1 0 341.358 2.725 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192029295 473610667 /nfs/dbraw/zinc/61/06/67/473610667.db2.gz RVXYLZGHKQEOHL-DZGCQCFKSA-N 1 0 336.779 2.565 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000179056973 473619621 /nfs/dbraw/zinc/61/96/21/473619621.db2.gz GKCPBOFDJHFYNC-AWEZNQCLSA-N 1 0 345.424 2.795 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186228637 473622279 /nfs/dbraw/zinc/62/22/79/473622279.db2.gz ZNRRGIIHBBDZIL-AWEZNQCLSA-N 1 0 329.404 2.968 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116129034 473629134 /nfs/dbraw/zinc/62/91/34/473629134.db2.gz YOWOKOHHNZEIHS-OAHLLOKOSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186268874 473633594 /nfs/dbraw/zinc/63/35/94/473633594.db2.gz FKYFSNMUKWMZFT-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO Cc1cc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000153623875 473633740 /nfs/dbraw/zinc/63/37/40/473633740.db2.gz YAFGSHBGTGYCCZ-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000127713787 473643984 /nfs/dbraw/zinc/64/39/84/473643984.db2.gz WJWJJOUTEMYRED-AWEZNQCLSA-N 1 0 349.431 2.581 20 5 EFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH2+]1 ZINC000153819606 473644251 /nfs/dbraw/zinc/64/42/51/473644251.db2.gz IZOBEKJCIFUJGH-PHIMTYICSA-N 1 0 346.412 2.541 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000154064727 473665134 /nfs/dbraw/zinc/66/51/34/473665134.db2.gz UBZFGBADGHHDNI-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179341043 473676682 /nfs/dbraw/zinc/67/66/82/473676682.db2.gz ZDGFIQNLHCYETF-ZNNBYXKUSA-N 1 0 343.427 2.846 20 5 EFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000179341727 473677005 /nfs/dbraw/zinc/67/70/05/473677005.db2.gz CQEOXERKUPCGRG-INIZCTEOSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])s3)c2)CC1 ZINC000192535403 473689373 /nfs/dbraw/zinc/68/93/73/473689373.db2.gz CYHSAMQOOZMOHP-UHFFFAOYSA-N 1 0 333.417 2.937 20 5 EFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172842757 473692258 /nfs/dbraw/zinc/69/22/58/473692258.db2.gz ZUXSFTFIUGQBSR-CQSZACIVSA-N 1 0 348.447 2.607 20 5 EFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274020482 473707610 /nfs/dbraw/zinc/70/76/10/473707610.db2.gz MUGUAZSZBXJQTD-RYUDHWBXSA-N 1 0 347.371 2.927 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000269140114 473708229 /nfs/dbraw/zinc/70/82/29/473708229.db2.gz YLOBSXFCWFEUEL-KMUNFCNLSA-N 1 0 337.807 2.785 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172947735 473709933 /nfs/dbraw/zinc/70/99/33/473709933.db2.gz JYXCZZKTYVSLKJ-CQSZACIVSA-N 1 0 333.413 2.618 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000172947053 473710409 /nfs/dbraw/zinc/71/04/09/473710409.db2.gz NIBUPWDBRHBNKD-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000192788838 473726333 /nfs/dbraw/zinc/72/63/33/473726333.db2.gz KYLFOYJGBCIWDS-OKILXGFUSA-N 1 0 348.447 2.503 20 5 EFBDRO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000269202811 473730408 /nfs/dbraw/zinc/73/04/08/473730408.db2.gz KWNZSGGDNUEYSS-MRXNPFEDSA-N 1 0 333.432 2.896 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000173043439 473732647 /nfs/dbraw/zinc/73/26/47/473732647.db2.gz DVAWEIRVILTBQN-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269230627 473740721 /nfs/dbraw/zinc/74/07/21/473740721.db2.gz VOTRRDYLPYXPRB-UWVGGRQHSA-N 1 0 345.321 2.732 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000186721481 473741172 /nfs/dbraw/zinc/74/11/72/473741172.db2.gz OCFPIUGZFUDIDL-NWDGAFQWSA-N 1 0 337.445 2.919 20 5 EFBDRO CSCCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281555590 473764464 /nfs/dbraw/zinc/76/44/64/473764464.db2.gz XUQULCGICVIJBU-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000281568270 473767836 /nfs/dbraw/zinc/76/78/36/473767836.db2.gz MBCBCBWCJWNKLV-OAHLLOKOSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245972958 473768684 /nfs/dbraw/zinc/76/86/84/473768684.db2.gz WGNGESZVXYDEAA-ZIAGYGMSSA-N 1 0 333.432 2.682 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000173197339 473769326 /nfs/dbraw/zinc/76/93/26/473769326.db2.gz SAEQNIFRQJFEBZ-KSSFIOAISA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173214257 473771861 /nfs/dbraw/zinc/77/18/61/473771861.db2.gz SEJBOYRCZKJLJS-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000193212838 473775508 /nfs/dbraw/zinc/77/55/08/473775508.db2.gz IBYHCDFNHDAOJW-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173230310 473776556 /nfs/dbraw/zinc/77/65/56/473776556.db2.gz FLRLWXYIWZIADC-RBSFLKMASA-N 1 0 333.432 2.620 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000287871323 473783517 /nfs/dbraw/zinc/78/35/17/473783517.db2.gz SJAPTYLHSAUFIU-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO CCc1nn(C)c(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000180045833 473785358 /nfs/dbraw/zinc/78/53/58/473785358.db2.gz GUGNQNUEKFJIEI-UHFFFAOYSA-N 1 0 344.419 2.614 20 5 EFBDRO COc1cc(C[NH2+]CCc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC000263649015 473791012 /nfs/dbraw/zinc/79/10/12/473791012.db2.gz CUFJQBALKWFGLG-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000287923089 473798767 /nfs/dbraw/zinc/79/87/67/473798767.db2.gz WTUQQXINKURTJM-UHFFFAOYSA-N 1 0 344.419 2.591 20 5 EFBDRO C[N@@H+]1CCN(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1(C)C ZINC000281673605 473802123 /nfs/dbraw/zinc/80/21/23/473802123.db2.gz PYWPTAOEMPAZDF-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000263676020 473803633 /nfs/dbraw/zinc/80/36/33/473803633.db2.gz HCVGAOILTUWXGA-UHFFFAOYSA-N 1 0 349.431 2.766 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C4CC4)CC3)cc2N1 ZINC000193754923 473806396 /nfs/dbraw/zinc/80/63/96/473806396.db2.gz KZMBQLCIIOWQQG-UHFFFAOYSA-N 1 0 330.388 2.518 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193765189 473806708 /nfs/dbraw/zinc/80/67/08/473806708.db2.gz KNPBWSHYPISZJJ-UHFFFAOYSA-N 1 0 346.431 2.611 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173333982 473808827 /nfs/dbraw/zinc/80/88/27/473808827.db2.gz LPJKLTXRDPBECU-CQSZACIVSA-N 1 0 327.384 2.904 20 5 EFBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173342513 473809742 /nfs/dbraw/zinc/80/97/42/473809742.db2.gz DBWHOKIRZRLXTE-LBPRGKRZSA-N 1 0 331.347 2.815 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](c2ncc[nH]2)C1 ZINC000287985596 473816326 /nfs/dbraw/zinc/81/63/26/473816326.db2.gz RLUKRJHUUFLQDZ-LBPRGKRZSA-N 1 0 344.371 2.797 20 5 EFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263766786 473840260 /nfs/dbraw/zinc/84/02/60/473840260.db2.gz RSTLWVMPPBCQJR-GASCZTMLSA-N 1 0 333.432 2.920 20 5 EFBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000288085841 473843777 /nfs/dbraw/zinc/84/37/77/473843777.db2.gz GDNKUONBNQERMQ-GXTWGEPZSA-N 1 0 329.356 2.581 20 5 EFBDRO CC(C)[N@H+](C)CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263800733 473855031 /nfs/dbraw/zinc/85/50/31/473855031.db2.gz JUUGHCLQZSKLQS-UHFFFAOYSA-N 1 0 345.447 2.815 20 5 EFBDRO CN(C)C(=O)CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000180333478 473855114 /nfs/dbraw/zinc/85/51/14/473855114.db2.gz WNTRYSLHGSSENJ-FNORWQNLSA-N 1 0 331.416 2.798 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187321388 473856662 /nfs/dbraw/zinc/85/66/62/473856662.db2.gz RPUWYYGWEDKYAD-CQSZACIVSA-N 1 0 349.431 2.939 20 5 EFBDRO CCOCCO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000269690349 473863371 /nfs/dbraw/zinc/86/33/71/473863371.db2.gz NIQWDZTVEDJMSX-AWEZNQCLSA-N 1 0 328.796 2.876 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccncc1OCCC[NH+](C)C ZINC000288171493 473865463 /nfs/dbraw/zinc/86/54/63/473865463.db2.gz ILBDVZHCZLYBDS-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263829038 473866029 /nfs/dbraw/zinc/86/60/29/473866029.db2.gz XZBAPUJMCHYANE-UHFFFAOYSA-N 1 0 327.384 2.515 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180393129 473866224 /nfs/dbraw/zinc/86/62/24/473866224.db2.gz AFGAAVKLGMIZLN-DOMZBBRYSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180401210 473867257 /nfs/dbraw/zinc/86/72/57/473867257.db2.gz KVMQVOVLTUVPPI-ZDUSSCGKSA-N 1 0 343.383 2.570 20 5 EFBDRO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180401225 473867523 /nfs/dbraw/zinc/86/75/23/473867523.db2.gz KVMQVOVLTUVPPI-CYBMUJFWSA-N 1 0 343.383 2.570 20 5 EFBDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180415605 473872007 /nfs/dbraw/zinc/87/20/07/473872007.db2.gz HYFCWBIRPGNJTE-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437977 473878214 /nfs/dbraw/zinc/87/82/14/473878214.db2.gz VGIKSHXSMYAQMD-LLVKDONJSA-N 1 0 349.337 2.840 20 5 EFBDRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180437100 473878645 /nfs/dbraw/zinc/87/86/45/473878645.db2.gz AYXXZDLXPWPFLM-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO CC(C)CCOC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000194338567 473882887 /nfs/dbraw/zinc/88/28/87/473882887.db2.gz GTMYCKNIRNACGO-UHFFFAOYSA-N 1 0 349.431 2.721 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288264797 473891553 /nfs/dbraw/zinc/89/15/53/473891553.db2.gz GQROWFNNBQNNEX-ZIAGYGMSSA-N 1 0 347.415 2.692 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000281995217 473910670 /nfs/dbraw/zinc/91/06/70/473910670.db2.gz PWJCSMAMZKBYCD-HIFRSBDPSA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000288360225 473919812 /nfs/dbraw/zinc/91/98/12/473919812.db2.gz KOTXAZNREBNRGA-QWRGUYRKSA-N 1 0 339.342 2.572 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000269934071 473923302 /nfs/dbraw/zinc/92/33/02/473923302.db2.gz NRUQSHUOWVFTEN-UXYGNLPZSA-N 1 0 342.395 2.682 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000269934074 473924140 /nfs/dbraw/zinc/92/41/40/473924140.db2.gz NRUQSHUOWVFTEN-YOZTWPGBSA-N 1 0 342.395 2.682 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2nccc(C)c2[N+](=O)[O-])cc1 ZINC000269939037 473926600 /nfs/dbraw/zinc/92/66/00/473926600.db2.gz FXKFVVJOSPLUDW-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000263983956 473928860 /nfs/dbraw/zinc/92/88/60/473928860.db2.gz HFQHQWMJIUTUFM-UHFFFAOYSA-N 1 0 337.379 2.763 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246684423 473933696 /nfs/dbraw/zinc/93/36/96/473933696.db2.gz WBTQXHSKUHDIMG-CZUORRHYSA-N 1 0 330.388 2.883 20 5 EFBDRO Cc1cc(OCC(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000282077262 473938617 /nfs/dbraw/zinc/93/86/17/473938617.db2.gz VYOYMZGIMXEJLF-UHFFFAOYSA-N 1 0 349.431 2.613 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180696847 473945167 /nfs/dbraw/zinc/94/51/67/473945167.db2.gz BQUYZRYATJIBDD-BETUJISGSA-N 1 0 348.447 2.663 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000288462654 473948712 /nfs/dbraw/zinc/94/87/12/473948712.db2.gz QBLFDIUCUUYEIF-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCCS(C)(=O)=O ZINC000274767871 473951340 /nfs/dbraw/zinc/95/13/40/473951340.db2.gz GRFOQLYFLKNSQZ-AWEZNQCLSA-N 1 0 342.461 2.720 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(CC[NH3+])n1 ZINC000194788083 473954569 /nfs/dbraw/zinc/95/45/69/473954569.db2.gz BXRBSWBZGOLGOA-UHFFFAOYSA-N 1 0 348.428 2.603 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)c([N+](=O)[O-])cc1OC ZINC000288479289 473955155 /nfs/dbraw/zinc/95/51/55/473955155.db2.gz PRZRACSGBCWLIN-NSHDSACASA-N 1 0 326.418 2.845 20 5 EFBDRO CSc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000188019493 473957525 /nfs/dbraw/zinc/95/75/25/473957525.db2.gz SOEOXXQLKORSHA-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188049312 473962776 /nfs/dbraw/zinc/96/27/76/473962776.db2.gz QADDFYGDDVVLBO-UHFFFAOYSA-N 1 0 344.415 2.561 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270040443 473964800 /nfs/dbraw/zinc/96/48/00/473964800.db2.gz AJUNXDNRRHTVJV-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OCCO ZINC000288510760 473965273 /nfs/dbraw/zinc/96/52/73/473965273.db2.gz SWDUNFQKUNMCCJ-UHFFFAOYSA-N 1 0 334.372 2.732 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288518625 473967374 /nfs/dbraw/zinc/96/73/74/473967374.db2.gz TWFNBTFPKSFDSS-GFCCVEGCSA-N 1 0 345.403 2.554 20 5 EFBDRO CSc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000188070191 473970734 /nfs/dbraw/zinc/97/07/34/473970734.db2.gz BAGRLWLZTJFDAS-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO C[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000188072943 473972824 /nfs/dbraw/zinc/97/28/24/473972824.db2.gz JCKXACZODNBHRZ-LBPRGKRZSA-N 1 0 337.395 2.780 20 5 EFBDRO CSc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188079955 473976103 /nfs/dbraw/zinc/97/61/03/473976103.db2.gz GBIKZWUWXMRENS-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282194310 473978609 /nfs/dbraw/zinc/97/86/09/473978609.db2.gz CERKRCCQMIHFNF-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282221109 473986087 /nfs/dbraw/zinc/98/60/87/473986087.db2.gz YSBZBZXDVUTQHC-BBRMVZONSA-N 1 0 347.415 2.861 20 5 EFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270111099 473993965 /nfs/dbraw/zinc/99/39/65/473993965.db2.gz DQNYVXHCBYUMBX-ZDUSSCGKSA-N 1 0 327.388 2.724 20 5 EFBDRO CSc1cccc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000188134319 473995644 /nfs/dbraw/zinc/99/56/44/473995644.db2.gz QMQFJGCQSHXVOI-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO C[N@H+](CCc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174154699 473996892 /nfs/dbraw/zinc/99/68/92/473996892.db2.gz VGSFTUOSKUCCOG-CQSZACIVSA-N 1 0 336.413 2.571 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264488884 474010792 /nfs/dbraw/zinc/01/07/92/474010792.db2.gz IYKWYLANWKDPSP-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330474 474025543 /nfs/dbraw/zinc/02/55/43/474025543.db2.gz AZUSNVHWRDUXLL-SFHVURJKSA-N 1 0 341.411 2.899 20 5 EFBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000282336748 474027492 /nfs/dbraw/zinc/02/74/92/474027492.db2.gz LVKWZNDVBZKYTA-QHCPKHFHSA-N 1 0 334.397 2.856 20 5 EFBDRO CO[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000282338726 474028944 /nfs/dbraw/zinc/02/89/44/474028944.db2.gz LZEFANRTIQONFL-ZYHUDNBSSA-N 1 0 341.795 2.686 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264543944 474031530 /nfs/dbraw/zinc/03/15/30/474031530.db2.gz OBPDLIVBRFNLBR-FDMDGMSGSA-N 1 0 329.400 2.695 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000270234634 474038926 /nfs/dbraw/zinc/03/89/26/474038926.db2.gz OGJOWOMJICZDAA-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181504122 474042014 /nfs/dbraw/zinc/04/20/14/474042014.db2.gz KHMFZAWJFIUBKV-KRWDZBQOSA-N 1 0 349.431 2.763 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181521434 474043938 /nfs/dbraw/zinc/04/39/38/474043938.db2.gz ZBKLBQYEPQBYRD-LBPRGKRZSA-N 1 0 329.356 2.980 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000247038186 474044760 /nfs/dbraw/zinc/04/47/60/474044760.db2.gz ULZUEVFEXWPSMS-IPYPFGDCSA-N 1 0 346.431 2.889 20 5 EFBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000288771338 474045178 /nfs/dbraw/zinc/04/51/78/474045178.db2.gz JPXIEDDMFQKEBD-SFHVURJKSA-N 1 0 349.431 2.716 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181534007 474045296 /nfs/dbraw/zinc/04/52/96/474045296.db2.gz VGSFPJODCJRSLY-GFCCVEGCSA-N 1 0 329.356 2.898 20 5 EFBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639264 474053649 /nfs/dbraw/zinc/05/36/49/474053649.db2.gz BOGQOMFQJJAHQY-UONOGXRCSA-N 1 0 331.416 2.978 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCOC1 ZINC000247127953 474071750 /nfs/dbraw/zinc/07/17/50/474071750.db2.gz SCIWUVIDUYCZRH-WDEREUQCSA-N 1 0 341.795 2.544 20 5 EFBDRO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282458257 474072660 /nfs/dbraw/zinc/07/26/60/474072660.db2.gz MLCMHKWHXGPRFW-OAHLLOKOSA-N 1 0 333.432 2.860 20 5 EFBDRO COc1ccc(NC(=O)CN2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000288887771 474080841 /nfs/dbraw/zinc/08/08/41/474080841.db2.gz RPEZQTRQIBDTBS-UHFFFAOYSA-N 1 0 345.355 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccn3)CC2)c(Cl)c1 ZINC000182025731 474083010 /nfs/dbraw/zinc/08/30/10/474083010.db2.gz SZFGHSLPAOVLPJ-UHFFFAOYSA-N 1 0 346.818 2.961 20 5 EFBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000264684117 474086413 /nfs/dbraw/zinc/08/64/13/474086413.db2.gz APIZDRMIWCLIAK-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000275214863 474106166 /nfs/dbraw/zinc/10/61/66/474106166.db2.gz KGRRBXLZYUBQSI-ZBFHGGJFSA-N 1 0 335.404 2.779 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282566076 474112151 /nfs/dbraw/zinc/11/21/51/474112151.db2.gz ZAQOTHRLPWMXHK-KRWDZBQOSA-N 1 0 345.355 2.711 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000264796800 474130583 /nfs/dbraw/zinc/13/05/83/474130583.db2.gz BOUHROGNUKMPHS-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182243738 474132589 /nfs/dbraw/zinc/13/25/89/474132589.db2.gz SATXXBAOWFDLCR-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275299840 474135554 /nfs/dbraw/zinc/13/55/54/474135554.db2.gz ZIBQVCUJCQBPHX-TZMCWYRMSA-N 1 0 341.795 2.734 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000214393534 474136297 /nfs/dbraw/zinc/13/62/97/474136297.db2.gz ULARHIXOIMMFCR-QXMHVHEDSA-N 1 0 339.395 2.986 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000247419270 474143632 /nfs/dbraw/zinc/14/36/32/474143632.db2.gz NUQJJRVSENFZDI-SMDDNHRTSA-N 1 0 337.445 2.729 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000289094124 474147735 /nfs/dbraw/zinc/14/77/35/474147735.db2.gz BTFLMNOJYDBUHY-HAQNSBGRSA-N 1 0 331.372 2.836 20 5 EFBDRO CC(C)OCC[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275356975 474156794 /nfs/dbraw/zinc/15/67/94/474156794.db2.gz KRWSSIZBBHVIAT-UHFFFAOYSA-N 1 0 348.447 2.864 20 5 EFBDRO COC(=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000188672868 474161810 /nfs/dbraw/zinc/16/18/10/474161810.db2.gz WRYFDKNRTKAFIR-ZFWWWQNUSA-N 1 0 332.400 2.849 20 5 EFBDRO COC(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000188680375 474163058 /nfs/dbraw/zinc/16/30/58/474163058.db2.gz PBJNNZKMQQELCX-UHFFFAOYSA-N 1 0 347.396 2.761 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000275377230 474164502 /nfs/dbraw/zinc/16/45/02/474164502.db2.gz YGAYATPAQCFLPA-WMZOPIPTSA-N 1 0 344.415 2.873 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182394273 474165093 /nfs/dbraw/zinc/16/50/93/474165093.db2.gz HBHXYUBKTGALCP-HOCLYGCPSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182394254 474165258 /nfs/dbraw/zinc/16/52/58/474165258.db2.gz HBHXYUBKTGALCP-ZBFHGGJFSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccnc(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000265165742 474169584 /nfs/dbraw/zinc/16/95/84/474169584.db2.gz GBKWOTXSMIDVQV-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000247520674 474171450 /nfs/dbraw/zinc/17/14/50/474171450.db2.gz WKSJSZZNUJTDPV-MLGOLLRUSA-N 1 0 346.431 2.581 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188754011 474185607 /nfs/dbraw/zinc/18/56/07/474185607.db2.gz DKXFZRYRGMFMEV-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000289221317 474188431 /nfs/dbraw/zinc/18/84/31/474188431.db2.gz LFQVRKZVSATXAC-XYPYZODXSA-N 1 0 325.796 2.743 20 5 EFBDRO C[NH+](C)CCOc1cc(CNc2cccc(F)c2[N+](=O)[O-])ccn1 ZINC000270618334 474192537 /nfs/dbraw/zinc/19/25/37/474192537.db2.gz BQYOWOVOXMMFAS-UHFFFAOYSA-N 1 0 334.351 2.681 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289269969 474204134 /nfs/dbraw/zinc/20/41/34/474204134.db2.gz RFIFHJQEPPRTHE-IAQYHMDHSA-N 1 0 336.367 2.824 20 5 EFBDRO COCCn1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000282825794 474209623 /nfs/dbraw/zinc/20/96/23/474209623.db2.gz RZYIGGWCXGDKIU-KRWDZBQOSA-N 1 0 344.415 2.549 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000282842239 474215360 /nfs/dbraw/zinc/21/53/60/474215360.db2.gz SUFLKTFUKSQZLN-NWDGAFQWSA-N 1 0 343.424 2.529 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188896953 474227835 /nfs/dbraw/zinc/22/78/35/474227835.db2.gz SBHKPFWBYHMYBU-LBPRGKRZSA-N 1 0 331.372 2.811 20 5 EFBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000182674355 474230254 /nfs/dbraw/zinc/23/02/54/474230254.db2.gz ZPMOXFLXJGYSOY-QGZVFWFLSA-N 1 0 328.368 2.695 20 5 EFBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c1C ZINC000188920269 474235015 /nfs/dbraw/zinc/23/50/15/474235015.db2.gz PTPFEZAXAOGKGH-UHFFFAOYSA-N 1 0 344.371 2.621 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247977476 474237194 /nfs/dbraw/zinc/23/71/94/474237194.db2.gz HYPJJPPHYWRIDG-ZIAGYGMSSA-N 1 0 349.456 2.873 20 5 EFBDRO CC(=O)c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265503897 474237315 /nfs/dbraw/zinc/23/73/15/474237315.db2.gz NPHQFSGBKMFURN-CQSZACIVSA-N 1 0 347.415 2.710 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270733766 474241701 /nfs/dbraw/zinc/24/17/01/474241701.db2.gz FLEHFMJNLVSWTR-UHFFFAOYSA-N 1 0 333.413 2.690 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182723991 474242116 /nfs/dbraw/zinc/24/21/16/474242116.db2.gz UIKKEMKEPSPYHA-OCZCAGDBSA-N 1 0 340.445 2.783 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000282947034 474250854 /nfs/dbraw/zinc/25/08/54/474250854.db2.gz YWJLHNIZTJAAEL-CJNGLKHVSA-N 1 0 347.415 2.550 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000275610323 474251094 /nfs/dbraw/zinc/25/10/94/474251094.db2.gz IILDIIWRKWRFFR-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182790644 474255429 /nfs/dbraw/zinc/25/54/29/474255429.db2.gz GXPSBBMWUJAUTP-GJZGRUSLSA-N 1 0 329.404 2.968 20 5 EFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCn3ccnc3)CC2)cc1 ZINC000182803137 474259678 /nfs/dbraw/zinc/25/96/78/474259678.db2.gz XRVMOSWEJYDPIU-UHFFFAOYSA-N 1 0 330.388 2.725 20 5 EFBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000248146040 474269526 /nfs/dbraw/zinc/26/95/26/474269526.db2.gz VWJUBLXOSXJLCC-ZDUSSCGKSA-N 1 0 345.428 2.889 20 5 EFBDRO C[C@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000265624416 474272847 /nfs/dbraw/zinc/27/28/47/474272847.db2.gz YMESTFKSJKOAKB-HOCLYGCPSA-N 1 0 343.431 2.818 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248155087 474272984 /nfs/dbraw/zinc/27/29/84/474272984.db2.gz RFYSHHGGFKOPCH-IAQYHMDHSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000175655057 474275139 /nfs/dbraw/zinc/27/51/39/474275139.db2.gz CGTZYRHFCQYEQU-UHFFFAOYSA-N 1 0 347.440 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCCOCC3)o2)cc1 ZINC000289451342 474276077 /nfs/dbraw/zinc/27/60/77/474276077.db2.gz NDQWBRCMGFWQJT-UHFFFAOYSA-N 1 0 345.399 2.667 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]21 ZINC000248180335 474280125 /nfs/dbraw/zinc/28/01/25/474280125.db2.gz WITPPCQKBLWZOF-IUODEOHRSA-N 1 0 330.388 2.652 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236902981 474299555 /nfs/dbraw/zinc/29/95/55/474299555.db2.gz ONFXSNJEORLJLX-VXGBXAGGSA-N 1 0 325.434 2.709 20 5 EFBDRO C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000270875478 474303343 /nfs/dbraw/zinc/30/33/43/474303343.db2.gz ANZZKUWVMJHHCW-UHFFFAOYSA-N 1 0 330.388 2.776 20 5 EFBDRO O=C(CC[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000189137502 474303650 /nfs/dbraw/zinc/30/36/50/474303650.db2.gz MRCGSVNKTFKSCS-KRWDZBQOSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000175781102 474306336 /nfs/dbraw/zinc/30/63/36/474306336.db2.gz RHGNODVFZKOJRK-HNNXBMFYSA-N 1 0 348.447 2.995 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289530352 474309074 /nfs/dbraw/zinc/30/90/74/474309074.db2.gz JEMUQLVQAAFOCU-CYBMUJFWSA-N 1 0 339.436 2.822 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265728427 474312012 /nfs/dbraw/zinc/31/20/12/474312012.db2.gz PPSRISVRHWMUAR-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000248417176 474315503 /nfs/dbraw/zinc/31/55/03/474315503.db2.gz JHPIIKDHHKWCBP-COXVUDFISA-N 1 0 343.427 2.994 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283156238 474321707 /nfs/dbraw/zinc/32/17/07/474321707.db2.gz OSMOKXCRYYCGLF-UHFFFAOYSA-N 1 0 340.399 2.510 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237014820 474321955 /nfs/dbraw/zinc/32/19/55/474321955.db2.gz OEPHAAROPVRPFW-UHFFFAOYSA-N 1 0 339.823 2.639 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000265783027 474335432 /nfs/dbraw/zinc/33/54/32/474335432.db2.gz HHBDPXAGDBHMSI-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000275847838 474340471 /nfs/dbraw/zinc/34/04/71/474340471.db2.gz HOSKHQAPFQOXBY-UHFFFAOYSA-N 1 0 337.395 2.612 20 5 EFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000248542880 474351378 /nfs/dbraw/zinc/35/13/78/474351378.db2.gz CRINQIJMLDYKLH-DVOMOZLQSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265825746 474352505 /nfs/dbraw/zinc/35/25/05/474352505.db2.gz RYCWOHKUMPNHRS-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000248550997 474353548 /nfs/dbraw/zinc/35/35/48/474353548.db2.gz GOIRZPLRVAKOSR-GDZNZVCISA-N 1 0 349.406 2.780 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000237183902 474354531 /nfs/dbraw/zinc/35/45/31/474354531.db2.gz FZXUAAMRPTVWHA-OLZOCXBDSA-N 1 0 337.445 2.533 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265834619 474354900 /nfs/dbraw/zinc/35/49/00/474354900.db2.gz UCDNTJJQVMKQHX-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283284006 474360238 /nfs/dbraw/zinc/36/02/38/474360238.db2.gz MHTYGFBDJRBUDF-LBPRGKRZSA-N 1 0 325.434 2.997 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000289647885 474361723 /nfs/dbraw/zinc/36/17/23/474361723.db2.gz DOPCXVJJCGZAGP-LLVKDONJSA-N 1 0 330.331 2.959 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248585850 474366470 /nfs/dbraw/zinc/36/64/70/474366470.db2.gz PWYYVGRQRBJEBX-OBJOEFQTSA-N 1 0 335.379 2.533 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289667841 474370104 /nfs/dbraw/zinc/37/01/04/474370104.db2.gz GZQNOKSSPFAYOK-NVXWUHKLSA-N 1 0 347.415 2.813 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289667837 474370271 /nfs/dbraw/zinc/37/02/71/474370271.db2.gz GZQNOKSSPFAYOK-DOTOQJQBSA-N 1 0 347.415 2.813 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000271016797 474370810 /nfs/dbraw/zinc/37/08/10/474370810.db2.gz YLSMBLROPUGUMR-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237273528 474371473 /nfs/dbraw/zinc/37/14/73/474371473.db2.gz FGLPTVFYJWXOPL-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248598497 474371773 /nfs/dbraw/zinc/37/17/73/474371773.db2.gz UISGQTQOFJJUAA-MLGOLLRUSA-N 1 0 337.395 2.636 20 5 EFBDRO [NH3+]CCN(Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1[N+](=O)[O-] ZINC000289673631 474372778 /nfs/dbraw/zinc/37/27/78/474372778.db2.gz DOVTXZZGVSSXAP-HNNXBMFYSA-N 1 0 348.428 2.868 20 5 EFBDRO Cn1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275976265 474377828 /nfs/dbraw/zinc/37/78/28/474377828.db2.gz MBOQVVFASXOTEL-INIZCTEOSA-N 1 0 344.415 2.588 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237338713 474384834 /nfs/dbraw/zinc/38/48/34/474384834.db2.gz QDZCQJJQZNPRHX-CJNGLKHVSA-N 1 0 334.420 2.515 20 5 EFBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183536345 474389800 /nfs/dbraw/zinc/38/98/00/474389800.db2.gz YHBJYQHLBNTRNR-JSGCOSHPSA-N 1 0 344.371 2.558 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000176126965 474390798 /nfs/dbraw/zinc/39/07/98/474390798.db2.gz PNILHWGXUBTCTA-DZGCQCFKSA-N 1 0 343.383 2.971 20 5 EFBDRO C[C@@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237388776 474394397 /nfs/dbraw/zinc/39/43/97/474394397.db2.gz JLIGYGDSNLZAAQ-ZDUSSCGKSA-N 1 0 333.432 2.972 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189434121 474394983 /nfs/dbraw/zinc/39/49/83/474394983.db2.gz STDNHUKSWBUWLS-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000283454546 474407681 /nfs/dbraw/zinc/40/76/81/474407681.db2.gz LAMRGZCEJAWLKS-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000176225003 474413770 /nfs/dbraw/zinc/41/37/70/474413770.db2.gz UKJSOBKDQISYAK-UHFFFAOYSA-N 1 0 333.367 2.507 20 5 EFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000176222153 474414355 /nfs/dbraw/zinc/41/43/55/474414355.db2.gz FYCIZXSMGCHWRD-CQSZACIVSA-N 1 0 345.403 2.531 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)n1 ZINC000176221088 474414459 /nfs/dbraw/zinc/41/44/59/474414459.db2.gz AETCIWIUJAPVSS-MRXNPFEDSA-N 1 0 348.378 2.612 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)C ZINC000271168668 474416396 /nfs/dbraw/zinc/41/63/96/474416396.db2.gz TUYKMIDAENIKTQ-GFCCVEGCSA-N 1 0 325.434 2.580 20 5 EFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189489885 474417412 /nfs/dbraw/zinc/41/74/12/474417412.db2.gz UHDNMWHOOTXDLT-UKRRQHHQSA-N 1 0 337.445 2.848 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc([N+](=O)[O-])c1 ZINC000176238066 474418189 /nfs/dbraw/zinc/41/81/89/474418189.db2.gz ICBCOJRJMLCGEU-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)F ZINC000271173822 474420963 /nfs/dbraw/zinc/42/09/63/474420963.db2.gz UTQHFZUKEADJRC-JOYOIKCWSA-N 1 0 338.351 2.978 20 5 EFBDRO Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000289774550 474421143 /nfs/dbraw/zinc/42/11/43/474421143.db2.gz RJTPLZWDIAEGJU-CHWSQXEVSA-N 1 0 332.322 2.896 20 5 EFBDRO COC[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000289780422 474424789 /nfs/dbraw/zinc/42/47/89/474424789.db2.gz JNHTUPMFSPIHQY-IBGZPJMESA-N 1 0 342.395 2.799 20 5 EFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266280932 474428072 /nfs/dbraw/zinc/42/80/72/474428072.db2.gz GMTVTIGOHLHYIE-GARJFASQSA-N 1 0 341.795 2.590 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000271185360 474428543 /nfs/dbraw/zinc/42/85/43/474428543.db2.gz ZEONWYFHPGHCEL-OAHLLOKOSA-N 1 0 349.431 2.672 20 5 EFBDRO Cc1cccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276153544 474434861 /nfs/dbraw/zinc/43/48/61/474434861.db2.gz GNWQAXGQDODSNB-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000276160974 474435808 /nfs/dbraw/zinc/43/58/08/474435808.db2.gz DSVAKVDKPIBOIA-UHFFFAOYSA-N 1 0 339.411 2.812 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCC2 ZINC000183871225 474439678 /nfs/dbraw/zinc/43/96/78/474439678.db2.gz KRPOJGZMOHXMES-ZDUSSCGKSA-N 1 0 329.404 2.634 20 5 EFBDRO CCCC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271209915 474443128 /nfs/dbraw/zinc/44/31/28/474443128.db2.gz XMVMTTXHCLGNLK-UHFFFAOYSA-N 1 0 326.393 2.861 20 5 EFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271211936 474443570 /nfs/dbraw/zinc/44/35/70/474443570.db2.gz VRANYYADQZDISW-QGZVFWFLSA-N 1 0 346.387 2.772 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237628964 474444229 /nfs/dbraw/zinc/44/42/29/474444229.db2.gz SULKAQYQVAIJGM-CMPLNLGQSA-N 1 0 346.412 2.670 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271211934 474444682 /nfs/dbraw/zinc/44/46/82/474444682.db2.gz VRANYYADQZDISW-KRWDZBQOSA-N 1 0 346.387 2.772 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271230142 474452974 /nfs/dbraw/zinc/45/29/74/474452974.db2.gz CYONAWOCDOGREQ-DOMZBBRYSA-N 1 0 331.416 2.733 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1(F)F ZINC000289881883 474469999 /nfs/dbraw/zinc/46/99/99/474469999.db2.gz RJNRLGJUPCMOAZ-JTQLQIEISA-N 1 0 328.315 2.938 20 5 EFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000276286759 474482314 /nfs/dbraw/zinc/48/23/14/474482314.db2.gz SOKRHXZPHUGCPC-GFCCVEGCSA-N 1 0 345.321 2.857 20 5 EFBDRO Cc1nn(C)c2ncc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc12 ZINC000237849922 474487023 /nfs/dbraw/zinc/48/70/23/474487023.db2.gz VLUGRNKOEFZDSR-UHFFFAOYSA-N 1 0 325.372 2.517 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000248935097 474488039 /nfs/dbraw/zinc/48/80/39/474488039.db2.gz YGAITUBBCZZJFZ-TZMCWYRMSA-N 1 0 345.424 2.907 20 5 EFBDRO Cc1nnc([C@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000271341618 474499830 /nfs/dbraw/zinc/49/98/30/474499830.db2.gz OLGRDYSRTOUTBY-SZTZYQKNSA-N 1 0 327.388 2.914 20 5 EFBDRO CC(C)(O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000189884099 474499842 /nfs/dbraw/zinc/49/98/42/474499842.db2.gz PFNTUZQDZBLUJA-UHFFFAOYSA-N 1 0 331.372 2.985 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237925938 474505452 /nfs/dbraw/zinc/50/54/52/474505452.db2.gz WHBNNJMUDBZFRS-ZDUSSCGKSA-N 1 0 330.388 2.512 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176660408 474514365 /nfs/dbraw/zinc/51/43/65/474514365.db2.gz VKUZLWHBLLTNLY-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000176720438 474520137 /nfs/dbraw/zinc/52/01/37/474520137.db2.gz YTAUULFGDGJPEX-GJZGRUSLSA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176721185 474520306 /nfs/dbraw/zinc/52/03/06/474520306.db2.gz BFKDKKDNDRCAGI-AWEZNQCLSA-N 1 0 348.447 2.947 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176734560 474523591 /nfs/dbraw/zinc/52/35/91/474523591.db2.gz HSTDAPHOCRJPMS-CQSZACIVSA-N 1 0 346.431 2.701 20 5 EFBDRO CCc1cc(NCC[NH2+]C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609029469 480109494 /nfs/dbraw/zinc/10/94/94/480109494.db2.gz XJBGMWBNCQNXSO-UHFFFAOYSA-N 1 0 343.431 2.836 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176749719 474524538 /nfs/dbraw/zinc/52/45/38/474524538.db2.gz GQLFXPBNIGZVBB-LSDHHAIUSA-N 1 0 348.447 2.947 20 5 EFBDRO [NH3+][C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238041094 474525346 /nfs/dbraw/zinc/52/53/46/474525346.db2.gz DQARBHKYLYIUPL-HNNXBMFYSA-N 1 0 340.383 2.599 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000238033673 474525895 /nfs/dbraw/zinc/52/58/95/474525895.db2.gz YBNWKCZTZFSUCJ-BQYQJAHWSA-N 1 0 329.400 2.599 20 5 EFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189978238 474526088 /nfs/dbraw/zinc/52/60/88/474526088.db2.gz VFKKEWJXRNSIBO-DYVFJYSZSA-N 1 0 344.415 2.636 20 5 EFBDRO C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000249113001 474529402 /nfs/dbraw/zinc/52/94/02/474529402.db2.gz WBWFYOXFQYITQO-WFASDCNBSA-N 1 0 335.429 2.528 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000238089103 474532718 /nfs/dbraw/zinc/53/27/18/474532718.db2.gz YZZASXPUSQHXCN-CYBMUJFWSA-N 1 0 325.796 2.886 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(O)CCCCC2)c1 ZINC000238133544 474538004 /nfs/dbraw/zinc/53/80/04/474538004.db2.gz RGHPRNFJMXHSAS-UHFFFAOYSA-N 1 0 330.331 2.981 20 5 EFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000266937347 474538174 /nfs/dbraw/zinc/53/81/74/474538174.db2.gz BGHLSYAASDUXIC-MRXNPFEDSA-N 1 0 330.384 2.951 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000284002884 474546532 /nfs/dbraw/zinc/54/65/32/474546532.db2.gz NQCIDKRTVDVOAQ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249330243 474557641 /nfs/dbraw/zinc/55/76/41/474557641.db2.gz OTZKATLGKXCUDX-QAPCUYQASA-N 1 0 345.399 2.510 20 5 EFBDRO CCC(CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])[NH+](C)C ZINC000190166183 474558538 /nfs/dbraw/zinc/55/85/38/474558538.db2.gz OJKFCMXNYUICNC-CQSZACIVSA-N 1 0 338.408 2.555 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000284085289 474568720 /nfs/dbraw/zinc/56/87/20/474568720.db2.gz SIYVBUAEABQLQE-ZDUSSCGKSA-N 1 0 337.420 2.700 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500818 474572828 /nfs/dbraw/zinc/57/28/28/474572828.db2.gz MABKIIWFLQPAFO-MORSLUCNSA-N 1 0 333.432 2.623 20 5 EFBDRO CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000271506502 474573871 /nfs/dbraw/zinc/57/38/71/474573871.db2.gz NYOJOLONMJMHMJ-BPUTZDHNSA-N 1 0 340.445 2.991 20 5 EFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000284105305 474573960 /nfs/dbraw/zinc/57/39/60/474573960.db2.gz BYGITWYGUZRKLC-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000245393130 474577651 /nfs/dbraw/zinc/57/76/51/474577651.db2.gz VIKHARKQUPZNOM-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000267065650 474579607 /nfs/dbraw/zinc/57/96/07/474579607.db2.gz PWXXCDFHWQVELR-UHFFFAOYSA-N 1 0 337.420 2.905 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000184700440 474588247 /nfs/dbraw/zinc/58/82/47/474588247.db2.gz LFXCHGSYLBQWDA-QGZVFWFLSA-N 1 0 345.443 2.718 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000267151403 474602683 /nfs/dbraw/zinc/60/26/83/474602683.db2.gz ZYJOLTHGHLPAPE-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000184790730 474608962 /nfs/dbraw/zinc/60/89/62/474608962.db2.gz GINUAWJMIKHTPQ-CVEARBPZSA-N 1 0 333.432 2.574 20 5 EFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284282675 474610385 /nfs/dbraw/zinc/61/03/85/474610385.db2.gz YDIJUZKKOQIOPK-MRXNPFEDSA-N 1 0 337.376 2.876 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000249758891 474611919 /nfs/dbraw/zinc/61/19/19/474611919.db2.gz FTIKXTKHZQZMRQ-KGLIPLIRSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184828494 474615403 /nfs/dbraw/zinc/61/54/03/474615403.db2.gz FOHLLWMWOXWDLC-CABCVRRESA-N 1 0 335.404 2.516 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000291547110 474615651 /nfs/dbraw/zinc/61/56/51/474615651.db2.gz AHYSLIXZPAGBMK-GDBMZVCRSA-N 1 0 346.431 2.756 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184828436 474615622 /nfs/dbraw/zinc/61/56/22/474615622.db2.gz FOHLLWMWOXWDLC-LSDHHAIUSA-N 1 0 335.404 2.516 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000291547204 474615821 /nfs/dbraw/zinc/61/58/21/474615821.db2.gz AJVWOKBNRHCUST-CYBMUJFWSA-N 1 0 346.431 2.613 20 5 EFBDRO CS[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1[NH+]1CCCC1 ZINC000278348554 474616870 /nfs/dbraw/zinc/61/68/70/474616870.db2.gz JKYVTZDWPZBIJC-JKSUJKDBSA-N 1 0 348.472 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c2nonc21 ZINC000267227651 474623239 /nfs/dbraw/zinc/62/32/39/474623239.db2.gz UXSUGYYPDSZGRN-UHFFFAOYSA-N 1 0 331.376 2.950 20 5 EFBDRO Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272884837 474634012 /nfs/dbraw/zinc/63/40/12/474634012.db2.gz WJPXQDMLIPMWNE-LBPRGKRZSA-N 1 0 340.383 2.874 20 5 EFBDRO CC(C)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272904529 474637690 /nfs/dbraw/zinc/63/76/90/474637690.db2.gz FAYYONMTUCHHPS-CYBMUJFWSA-N 1 0 328.434 2.783 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000267299002 474641569 /nfs/dbraw/zinc/64/15/69/474641569.db2.gz PRAZELSJLBPHDZ-OLZOCXBDSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272957016 474650422 /nfs/dbraw/zinc/65/04/22/474650422.db2.gz NDGXUKOWYGBOPG-QWHCGFSZSA-N 1 0 349.456 2.842 20 5 EFBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272978067 474656024 /nfs/dbraw/zinc/65/60/24/474656024.db2.gz XEFSWCHMWFFIKV-UHFFFAOYSA-N 1 0 340.426 2.528 20 5 EFBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000272976230 474656263 /nfs/dbraw/zinc/65/62/63/474656263.db2.gz WZCGCBJCPNEYRJ-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000272982975 474658222 /nfs/dbraw/zinc/65/82/22/474658222.db2.gz JMDTYRXQPJDGTE-MLGOLLRUSA-N 1 0 345.374 2.790 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000278508807 474668851 /nfs/dbraw/zinc/66/88/51/474668851.db2.gz XZIPJEWHEAPHRT-QWRGUYRKSA-N 1 0 344.337 2.929 20 5 EFBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000267434822 474669684 /nfs/dbraw/zinc/66/96/84/474669684.db2.gz XNPSTVWMXHAEOD-GASCZTMLSA-N 1 0 348.447 2.706 20 5 EFBDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273011260 474671085 /nfs/dbraw/zinc/67/10/85/474671085.db2.gz JFVPVSWSIQYPPF-AWEZNQCLSA-N 1 0 334.372 2.838 20 5 EFBDRO Cc1nn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1[N+](=O)[O-] ZINC000278510238 474671732 /nfs/dbraw/zinc/67/17/32/474671732.db2.gz DYZNJMDPRFZGRJ-KRWDZBQOSA-N 1 0 344.415 2.699 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000305054095 474676090 /nfs/dbraw/zinc/67/60/90/474676090.db2.gz INVHMVDFGKDFBP-UHFFFAOYSA-N 1 0 344.415 2.599 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278537015 474686984 /nfs/dbraw/zinc/68/69/84/474686984.db2.gz URNMZADBGOOWSY-UKRRQHHQSA-N 1 0 329.404 2.648 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273041658 474687057 /nfs/dbraw/zinc/68/70/57/474687057.db2.gz PBVOBXDWGWZLCA-OAHLLOKOSA-N 1 0 330.384 2.859 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278538676 474689823 /nfs/dbraw/zinc/68/98/23/474689823.db2.gz CJCSELGIFHVJIX-NBUZRDOWSA-N 1 0 345.443 2.793 20 5 EFBDRO Cn1nccc1N1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000278542530 474690795 /nfs/dbraw/zinc/69/07/95/474690795.db2.gz XMSMOXDKJCNWRP-RRGWEWPQSA-N 1 0 341.415 2.600 20 5 EFBDRO CC(C)C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000344364978 474690984 /nfs/dbraw/zinc/69/09/84/474690984.db2.gz XIZPBFKMTYOYGQ-CYBMUJFWSA-N 1 0 332.404 2.782 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000291796126 474691913 /nfs/dbraw/zinc/69/19/13/474691913.db2.gz AHDBNTHIBFNIJI-WMLDXEAASA-N 1 0 334.416 2.845 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292879741 474692974 /nfs/dbraw/zinc/69/29/74/474692974.db2.gz XWOWRTZPLUMMKJ-INIZCTEOSA-N 1 0 347.415 2.611 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273050947 474693453 /nfs/dbraw/zinc/69/34/53/474693453.db2.gz BNBKVUJSPMTQNZ-OAHLLOKOSA-N 1 0 345.374 2.913 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278549519 474694726 /nfs/dbraw/zinc/69/47/26/474694726.db2.gz VSIKJNSYIPTZLN-HOCLYGCPSA-N 1 0 343.431 2.956 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1=CC[N@H+](C)CC1 ZINC000273058850 474696657 /nfs/dbraw/zinc/69/66/57/474696657.db2.gz YFCVXAGADJSUDV-LLVKDONJSA-N 1 0 329.356 2.721 20 5 EFBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278555264 474698816 /nfs/dbraw/zinc/69/88/16/474698816.db2.gz BWAZCAAURLDTJF-SJKOYZFVSA-N 1 0 348.424 2.953 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292905761 474707069 /nfs/dbraw/zinc/70/70/69/474707069.db2.gz XVZIXSIDKASLOQ-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1cc(NCc2ccnc3ccnn32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340841624 474708604 /nfs/dbraw/zinc/70/86/04/474708604.db2.gz OMONJIRRQFEMNI-UHFFFAOYSA-N 1 0 334.339 2.528 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284658912 474710711 /nfs/dbraw/zinc/71/07/11/474710711.db2.gz GIAPUNBYSPUXLX-CVEARBPZSA-N 1 0 333.388 2.567 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000267939745 474716006 /nfs/dbraw/zinc/71/60/06/474716006.db2.gz HGKKIWBHCUWQSU-HIFRSBDPSA-N 1 0 332.404 2.960 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000340854697 474718658 /nfs/dbraw/zinc/71/86/58/474718658.db2.gz WHAXNXMMJCGWDO-HYSWKAIVSA-N 1 0 335.404 2.715 20 5 EFBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000284679314 474718786 /nfs/dbraw/zinc/71/87/86/474718786.db2.gz GXRBBKFRKNIRKT-FQEVSTJZSA-N 1 0 339.439 2.996 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344399815 474719454 /nfs/dbraw/zinc/71/94/54/474719454.db2.gz FYTZBRPPQMAMNA-NSHDSACASA-N 1 0 327.812 2.637 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000292945683 474727718 /nfs/dbraw/zinc/72/77/18/474727718.db2.gz DNWJYPCTLOCEAL-CQSZACIVSA-N 1 0 336.779 2.598 20 5 EFBDRO CC(C)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000340861675 474728006 /nfs/dbraw/zinc/72/80/06/474728006.db2.gz SIPVQZPWXLGRDJ-UHFFFAOYSA-N 1 0 348.447 2.701 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000305301760 474728865 /nfs/dbraw/zinc/72/88/65/474728865.db2.gz JSFAMNNZLGSZIA-OAHLLOKOSA-N 1 0 334.347 2.606 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000305314611 474729201 /nfs/dbraw/zinc/72/92/01/474729201.db2.gz MNVIZUGQMDIXQQ-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000305325092 474730742 /nfs/dbraw/zinc/73/07/42/474730742.db2.gz OXRMKZJQRSOQSE-INIZCTEOSA-N 1 0 334.347 2.606 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000344419041 474738282 /nfs/dbraw/zinc/73/82/82/474738282.db2.gz LILLNTWZOZNZJM-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291897149 474739249 /nfs/dbraw/zinc/73/92/49/474739249.db2.gz PNLWWYFFPHBZIL-ZDUSSCGKSA-N 1 0 336.436 2.859 20 5 EFBDRO CC[NH+]1C[C@H](C)N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000344421297 474740927 /nfs/dbraw/zinc/74/09/27/474740927.db2.gz KWUQHWIZRSWILO-STQMWFEESA-N 1 0 344.415 2.560 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344422552 474742100 /nfs/dbraw/zinc/74/21/00/474742100.db2.gz HIPJNOUNUPLXGF-STQMWFEESA-N 1 0 335.404 2.548 20 5 EFBDRO Cc1cccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000273150240 474742860 /nfs/dbraw/zinc/74/28/60/474742860.db2.gz XIYDBLWTSRSBFA-MRXNPFEDSA-N 1 0 327.384 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000284777944 474767143 /nfs/dbraw/zinc/76/71/43/474767143.db2.gz NCWKCORSSCTFAA-CABCVRRESA-N 1 0 344.371 2.788 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000293013984 474767357 /nfs/dbraw/zinc/76/73/57/474767357.db2.gz KQTTUPJKXFKGEL-SECBINFHSA-N 1 0 345.321 2.826 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254939362 474775207 /nfs/dbraw/zinc/77/52/07/474775207.db2.gz HLCJNXKBIBYPPP-SNGWPZLWSA-N 1 0 331.416 2.941 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC000273211951 474778398 /nfs/dbraw/zinc/77/83/98/474778398.db2.gz TYQVXOQPLLGROV-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000291969972 474779090 /nfs/dbraw/zinc/77/90/90/474779090.db2.gz XONJJUKCRWHVJI-CYBMUJFWSA-N 1 0 332.404 2.933 20 5 EFBDRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000305781908 474779797 /nfs/dbraw/zinc/77/97/97/474779797.db2.gz UZFXLNXNRLGWGR-IAGOWNOFSA-N 1 0 346.431 2.838 20 5 EFBDRO O=C(CC[NH+]1CCC(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337211446 474787272 /nfs/dbraw/zinc/78/72/72/474787272.db2.gz DLCUBDIOKVSGPM-UHFFFAOYSA-N 1 0 327.331 2.901 20 5 EFBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000273225398 474788466 /nfs/dbraw/zinc/78/84/66/474788466.db2.gz VNVYMFLHXBKHEN-ZFWWWQNUSA-N 1 0 346.383 2.694 20 5 EFBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293056557 474789588 /nfs/dbraw/zinc/78/95/88/474789588.db2.gz RXBUXKUKGSIEOW-INIZCTEOSA-N 1 0 330.388 2.510 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000255026463 474789616 /nfs/dbraw/zinc/78/96/16/474789616.db2.gz RKEFNUFJYURJIE-BDUWGWSJSA-N 1 0 329.400 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291996714 474793184 /nfs/dbraw/zinc/79/31/84/474793184.db2.gz XCQGVRYAIDESFD-LJQANCHMSA-N 1 0 342.395 2.610 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2c(c1)COCO2 ZINC000284837179 474793493 /nfs/dbraw/zinc/79/34/93/474793493.db2.gz QSQOUJIFSOHLGU-CVEARBPZSA-N 1 0 334.372 2.605 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268096317 474795836 /nfs/dbraw/zinc/79/58/36/474795836.db2.gz CQKUPOYSXXTXBE-DVOMOZLQSA-N 1 0 346.431 2.746 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000340940345 474800454 /nfs/dbraw/zinc/80/04/54/474800454.db2.gz RBCPWAWBLIOMOC-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000273253616 474805478 /nfs/dbraw/zinc/80/54/78/474805478.db2.gz YPXXNPYLUKMFQS-DZGCQCFKSA-N 1 0 346.383 2.694 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[S@@](C)=O ZINC000273257473 474806514 /nfs/dbraw/zinc/80/65/14/474806514.db2.gz MDBUJMTUOJWMPF-JWCBKOKGSA-N 1 0 330.475 2.822 20 5 EFBDRO NC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000255123907 474808705 /nfs/dbraw/zinc/80/87/05/474808705.db2.gz AIOYAHSDZBNESF-POHAHGRESA-N 1 0 339.395 2.986 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293096573 474811677 /nfs/dbraw/zinc/81/16/77/474811677.db2.gz KSRDOKXKCJVHTJ-INIZCTEOSA-N 1 0 335.404 2.670 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000337236843 474812616 /nfs/dbraw/zinc/81/26/16/474812616.db2.gz CMDNWSAHDJHQEY-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000268129932 474814412 /nfs/dbraw/zinc/81/44/12/474814412.db2.gz PGIAYDKXCLOTKJ-LKFCYVNXSA-N 1 0 338.795 2.852 20 5 EFBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000310330793 474825469 /nfs/dbraw/zinc/82/54/69/474825469.db2.gz ADZJBRQEICAHCA-KRWDZBQOSA-N 1 0 327.388 2.709 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278771636 474826069 /nfs/dbraw/zinc/82/60/69/474826069.db2.gz UVBMVTLJZNBVPT-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000312057647 474845699 /nfs/dbraw/zinc/84/56/99/474845699.db2.gz BATZLYZIWANFKD-KOLCDFICSA-N 1 0 328.210 2.886 20 5 EFBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000278809513 474846254 /nfs/dbraw/zinc/84/62/54/474846254.db2.gz ZYYVWLJZFINDRD-NVXWUHKLSA-N 1 0 341.411 2.943 20 5 EFBDRO NC(=O)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000292113756 474855196 /nfs/dbraw/zinc/85/51/96/474855196.db2.gz HIJXBYNWISOCBK-UHFFFAOYSA-N 1 0 343.358 2.997 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255442310 474857616 /nfs/dbraw/zinc/85/76/16/474857616.db2.gz RWVJKXNMHOPTGQ-YVMONPNESA-N 1 0 331.416 2.846 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273370197 474862805 /nfs/dbraw/zinc/86/28/05/474862805.db2.gz BTENCJBXKFOXLQ-HOTGVXAUSA-N 1 0 348.378 2.783 20 5 EFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000345073358 474866239 /nfs/dbraw/zinc/86/62/39/474866239.db2.gz XGPRCOCYTJZTKA-DLBZAZTESA-N 1 0 343.358 2.562 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000273383582 474872391 /nfs/dbraw/zinc/87/23/91/474872391.db2.gz ISUSMLWTRIBCHV-CQSZACIVSA-N 1 0 348.447 2.509 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292151743 474876163 /nfs/dbraw/zinc/87/61/63/474876163.db2.gz VHPOFZXBLVXFEG-LLVKDONJSA-N 1 0 327.812 2.636 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255592187 474879791 /nfs/dbraw/zinc/87/97/91/474879791.db2.gz DKKXHPMITKMRNI-SBSDFTTDSA-N 1 0 331.416 2.702 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000285082001 474886461 /nfs/dbraw/zinc/88/64/61/474886461.db2.gz JPPSZPGIGVZQQG-LBPRGKRZSA-N 1 0 344.419 2.528 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000318448315 474890468 /nfs/dbraw/zinc/89/04/68/474890468.db2.gz AKDMAEJJRYMEJT-UWVGGRQHSA-N 1 0 331.214 2.532 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCCO2 ZINC000341026968 474891343 /nfs/dbraw/zinc/89/13/43/474891343.db2.gz YMOKHPWONSZMRK-INIZCTEOSA-N 1 0 346.387 2.586 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000255753297 474897668 /nfs/dbraw/zinc/89/76/68/474897668.db2.gz FFUDIIGHNHBFCO-NLMGXMIUSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000273441290 474900299 /nfs/dbraw/zinc/90/02/99/474900299.db2.gz MUUFDFBHQXPIGZ-NSHDSACASA-N 1 0 340.426 2.781 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000292206773 474904215 /nfs/dbraw/zinc/90/42/15/474904215.db2.gz HCQDZZDEQYBEQU-CQSZACIVSA-N 1 0 340.221 2.889 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000273456978 474908082 /nfs/dbraw/zinc/90/80/82/474908082.db2.gz MBPDVLMLCFVQKB-CYBMUJFWSA-N 1 0 336.367 2.826 20 5 EFBDRO CCc1[nH]nc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000278912773 474910608 /nfs/dbraw/zinc/91/06/08/474910608.db2.gz JRMMVZCAOFTOBJ-UHFFFAOYSA-N 1 0 342.359 2.659 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293293497 474913224 /nfs/dbraw/zinc/91/32/24/474913224.db2.gz MMUFJPHHYMEOTH-CQSZACIVSA-N 1 0 348.447 2.998 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255886983 474913605 /nfs/dbraw/zinc/91/36/05/474913605.db2.gz YUBHOJCPJYRFAO-SKHCZCESSA-N 1 0 343.427 2.942 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273468356 474914805 /nfs/dbraw/zinc/91/48/05/474914805.db2.gz OBCQOUBRJHPDDU-GFCCVEGCSA-N 1 0 338.383 2.833 20 5 EFBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC(CO)CC1 ZINC000268305355 474916052 /nfs/dbraw/zinc/91/60/52/474916052.db2.gz FRMKWPRCWVXZBV-UHFFFAOYSA-N 1 0 346.387 2.628 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000337353283 474928855 /nfs/dbraw/zinc/92/88/55/474928855.db2.gz BGIDQCZFTWMOBG-UHFFFAOYSA-N 1 0 336.392 2.601 20 5 EFBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000273502387 474931956 /nfs/dbraw/zinc/93/19/56/474931956.db2.gz OMUSAGYKVAQLMP-MRXNPFEDSA-N 1 0 343.431 2.738 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000285229390 474936711 /nfs/dbraw/zinc/93/67/11/474936711.db2.gz FWETZYFMBQDOPR-MRXNPFEDSA-N 1 0 330.384 2.509 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000273513354 474939108 /nfs/dbraw/zinc/93/91/08/474939108.db2.gz PAVFPWOJPKXJRQ-MNOVXSKESA-N 1 0 344.824 2.608 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516789 474940931 /nfs/dbraw/zinc/94/09/31/474940931.db2.gz XVHJLJZOQMWNGY-YPMHNXCESA-N 1 0 336.367 2.824 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000323380003 474949793 /nfs/dbraw/zinc/94/97/93/474949793.db2.gz HBOMSGKWUIYABA-VIFPVBQESA-N 1 0 330.310 2.905 20 5 EFBDRO CS[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273545218 474956161 /nfs/dbraw/zinc/95/61/61/474956161.db2.gz UNKISNZTVXEPJI-HOTGVXAUSA-N 1 0 349.456 2.555 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345173290 474961496 /nfs/dbraw/zinc/96/14/96/474961496.db2.gz MQBBVPQYZUWNIL-KBPBESRZSA-N 1 0 348.447 2.652 20 5 EFBDRO CSC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000292325078 474962922 /nfs/dbraw/zinc/96/29/22/474962922.db2.gz FSRMBSBDSSYSAU-OLZOCXBDSA-N 1 0 337.445 2.997 20 5 EFBDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000324597559 474972422 /nfs/dbraw/zinc/97/24/22/474972422.db2.gz HLCONEYJBRKSKV-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285335667 474976626 /nfs/dbraw/zinc/97/66/26/474976626.db2.gz OHZZKEBGZUCIEN-HUUCEWRRSA-N 1 0 333.432 2.574 20 5 EFBDRO COCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293434911 474979610 /nfs/dbraw/zinc/97/96/10/474979610.db2.gz BMCDVKWDAACYJX-UHFFFAOYSA-N 1 0 336.310 2.708 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000285349426 474982208 /nfs/dbraw/zinc/98/22/08/474982208.db2.gz ANQJIQWMZAZSNB-UHFFFAOYSA-N 1 0 347.415 2.814 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000273601635 474983906 /nfs/dbraw/zinc/98/39/06/474983906.db2.gz JOXFZZHCQFNTIT-MRXNPFEDSA-N 1 0 345.403 2.888 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2N1 ZINC000326024288 474999167 /nfs/dbraw/zinc/99/91/67/474999167.db2.gz QQEUUWFCELAYIH-QWHCGFSZSA-N 1 0 330.388 2.518 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000326328519 475002696 /nfs/dbraw/zinc/00/26/96/475002696.db2.gz CXDGRJNONHGYHX-CYBMUJFWSA-N 1 0 336.436 2.877 20 5 EFBDRO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n(C)c1C ZINC000326467958 475005608 /nfs/dbraw/zinc/00/56/08/475005608.db2.gz CIFDBUVFPQJHDE-UHFFFAOYSA-N 1 0 331.372 2.627 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326619196 475009037 /nfs/dbraw/zinc/00/90/37/475009037.db2.gz QSYMYIWRSBDDSL-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000326940615 475014769 /nfs/dbraw/zinc/01/47/69/475014769.db2.gz XQANVLUEHYEJMN-XJKSGUPXSA-N 1 0 344.415 2.820 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658751 475014961 /nfs/dbraw/zinc/01/49/61/475014961.db2.gz IASMPGCHNWAYIF-INIZCTEOSA-N 1 0 332.429 2.889 20 5 EFBDRO C[C@]1(C[NH3+])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261658753 475015360 /nfs/dbraw/zinc/01/53/60/475015360.db2.gz IASMPGCHNWAYIF-MRXNPFEDSA-N 1 0 332.429 2.889 20 5 EFBDRO Cc1nc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000268515243 475027025 /nfs/dbraw/zinc/02/70/25/475027025.db2.gz SZNXSXYWOSBYNQ-OKILXGFUSA-N 1 0 348.447 2.624 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000292443030 475028949 /nfs/dbraw/zinc/02/89/49/475028949.db2.gz XEWMIVPKGSGAAR-ZDUSSCGKSA-N 1 0 346.431 2.780 20 5 EFBDRO CC1CC[NH+](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268529736 475033329 /nfs/dbraw/zinc/03/33/29/475033329.db2.gz PUUSIZAUOMJCPS-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO CC[N@@H+]1CCCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000268808298 475043783 /nfs/dbraw/zinc/04/37/83/475043783.db2.gz LIMKWZIKBROXDC-UHFFFAOYSA-N 1 0 341.795 2.567 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000268830470 475046231 /nfs/dbraw/zinc/04/62/31/475046231.db2.gz BZGJJLRAHGXOQG-UHFFFAOYSA-N 1 0 326.400 2.791 20 5 EFBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000280779561 475049716 /nfs/dbraw/zinc/04/97/16/475049716.db2.gz PYRGINBEFWYMHV-HXUWFJFHSA-N 1 0 336.391 2.644 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000261755067 475051100 /nfs/dbraw/zinc/05/11/00/475051100.db2.gz MBOPAGCFLRFRQC-VIFPVBQESA-N 1 0 345.384 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000339222126 475054085 /nfs/dbraw/zinc/05/40/85/475054085.db2.gz SVCZEIDLHHOSSZ-UHFFFAOYSA-N 1 0 342.395 2.827 20 5 EFBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292500613 475059026 /nfs/dbraw/zinc/05/90/26/475059026.db2.gz FQLNODVZVSTCPM-ZDUSSCGKSA-N 1 0 337.395 2.732 20 5 EFBDRO [NH3+]C1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCCC1 ZINC000261779243 475059970 /nfs/dbraw/zinc/05/99/70/475059970.db2.gz NSEDYZAZVJMFQI-UHFFFAOYSA-N 1 0 340.343 2.559 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273839847 475075311 /nfs/dbraw/zinc/07/53/11/475075311.db2.gz JFUQJBQYGXRGKP-QGZVFWFLSA-N 1 0 327.384 2.984 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261829223 475076204 /nfs/dbraw/zinc/07/62/04/475076204.db2.gz OEHLZZKQSQAZQV-MNOVXSKESA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261829230 475076294 /nfs/dbraw/zinc/07/62/94/475076294.db2.gz OEHLZZKQSQAZQV-WDEREUQCSA-N 1 0 346.412 2.528 20 5 EFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261829219 475076466 /nfs/dbraw/zinc/07/64/66/475076466.db2.gz OEHLZZKQSQAZQV-GHMZBOCLSA-N 1 0 346.412 2.528 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000261842584 475081930 /nfs/dbraw/zinc/08/19/30/475081930.db2.gz SBPNKHFEMICJOG-SSDOTTSWSA-N 1 0 341.165 2.558 20 5 EFBDRO C[S@](=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000281131754 475085044 /nfs/dbraw/zinc/08/50/44/475085044.db2.gz TWNZPSTVXDGTHL-CMJOXMDJSA-N 1 0 336.457 2.807 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273886010 475100411 /nfs/dbraw/zinc/10/04/11/475100411.db2.gz UHWBXPLRBOIFFN-ZBEGNZNMSA-N 1 0 349.406 2.610 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273886002 475101916 /nfs/dbraw/zinc/10/19/16/475101916.db2.gz UHWBXPLRBOIFFN-BDJLRTHQSA-N 1 0 349.406 2.610 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC[C@H]21 ZINC000268972604 475105619 /nfs/dbraw/zinc/10/56/19/475105619.db2.gz AUHDCOMYQGYAPX-DZGCQCFKSA-N 1 0 342.399 2.632 20 5 EFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000287347386 475106692 /nfs/dbraw/zinc/10/66/92/475106692.db2.gz ZIVRIBOVZQYHQP-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO CC(C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000341528404 475115753 /nfs/dbraw/zinc/11/57/53/475115753.db2.gz RIONCWSYQDWNOQ-MRXNPFEDSA-N 1 0 348.447 2.862 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000269003464 475122542 /nfs/dbraw/zinc/12/25/42/475122542.db2.gz PURIXINPNRWBQL-IAQYHMDHSA-N 1 0 347.371 2.537 20 5 EFBDRO COC(=O)Cc1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000295949986 475140466 /nfs/dbraw/zinc/14/04/66/475140466.db2.gz IOFLSYPHJKSQQU-UHFFFAOYSA-N 1 0 347.415 2.739 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000281267621 475143802 /nfs/dbraw/zinc/14/38/02/475143802.db2.gz AXBZCXMQGWVVBJ-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000262013509 475144091 /nfs/dbraw/zinc/14/40/91/475144091.db2.gz MMBAYLMIXNPGBR-QGZVFWFLSA-N 1 0 344.440 2.904 20 5 EFBDRO O=C([C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287456709 475155300 /nfs/dbraw/zinc/15/53/00/475155300.db2.gz QZYCQMIDBGWOMW-CYBMUJFWSA-N 1 0 337.807 2.693 20 5 EFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc([N+](=O)[O-])s1 ZINC000262055892 475160056 /nfs/dbraw/zinc/16/00/56/475160056.db2.gz NFBCGAYANGLLAQ-UHFFFAOYSA-N 1 0 338.414 2.832 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000281332259 475175188 /nfs/dbraw/zinc/17/51/88/475175188.db2.gz JMPOIACFSNKDFG-CYBMUJFWSA-N 1 0 339.367 2.563 20 5 EFBDRO CC(C)C[C@H]([NH3+])c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389400 475186425 /nfs/dbraw/zinc/18/64/25/475186425.db2.gz PPPPUKNAYSRWFK-MFKMUULPSA-N 1 0 347.375 2.515 20 5 EFBDRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000339389448 475186875 /nfs/dbraw/zinc/18/68/75/475186875.db2.gz QTEOIIWGBMKCAO-SNVBAGLBSA-N 1 0 336.348 2.708 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281368020 475188119 /nfs/dbraw/zinc/18/81/19/475188119.db2.gz MPJJWRHUIDACFE-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296113143 475199322 /nfs/dbraw/zinc/19/93/22/475199322.db2.gz RMPMKOHNAMTBCE-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341672849 475216768 /nfs/dbraw/zinc/21/67/68/475216768.db2.gz DYSWEKMZFZHCGP-CYBMUJFWSA-N 1 0 332.404 2.648 20 5 EFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000296183208 475217439 /nfs/dbraw/zinc/21/74/39/475217439.db2.gz LKBUZVDRKCJOKN-HZPDHXFCSA-N 1 0 349.431 2.739 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c[nH+]cn2c1 ZINC000341676281 475218097 /nfs/dbraw/zinc/21/80/97/475218097.db2.gz PNSDLASRNYJMHI-UHFFFAOYSA-N 1 0 330.731 2.826 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000357881273 475228074 /nfs/dbraw/zinc/22/80/74/475228074.db2.gz HHTDOVWXUUNLNU-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296228310 475230711 /nfs/dbraw/zinc/23/07/11/475230711.db2.gz AFPLWYDYOCXTQI-RDTXWAMCSA-N 1 0 347.459 2.754 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000341696596 475230751 /nfs/dbraw/zinc/23/07/51/475230751.db2.gz JTRACKFDCFBRJB-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000347328433 475236661 /nfs/dbraw/zinc/23/66/61/475236661.db2.gz AHUWBESNACVISU-IUODEOHRSA-N 1 0 349.406 2.971 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000345526528 475242062 /nfs/dbraw/zinc/24/20/62/475242062.db2.gz ITRWNHWLUAQATE-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361174804 475244360 /nfs/dbraw/zinc/24/43/60/475244360.db2.gz GFAANQLUHJICEF-OAHLLOKOSA-N 1 0 333.432 2.890 20 5 EFBDRO COc1ccc(OCC[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296279344 475250300 /nfs/dbraw/zinc/25/03/00/475250300.db2.gz YZHXLMNMVIEHDP-MRXNPFEDSA-N 1 0 338.404 2.729 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(n2cncn2)CC1 ZINC000347353748 475260343 /nfs/dbraw/zinc/26/03/43/475260343.db2.gz HBKFNEOOPLMBHW-NTEUORMPSA-N 1 0 327.388 2.927 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000347367814 475271155 /nfs/dbraw/zinc/27/11/55/475271155.db2.gz MSSFVIMAYXHZCY-ODHXBGJQSA-N 1 0 329.400 2.600 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000296330560 475271388 /nfs/dbraw/zinc/27/13/88/475271388.db2.gz QRYVFKYZXKTHAT-CXAGYDPISA-N 1 0 346.387 2.938 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000347371717 475272665 /nfs/dbraw/zinc/27/26/65/475272665.db2.gz VSXVOPUKJWFXBX-IPJDOKCGSA-N 1 0 331.416 2.976 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361213222 475273896 /nfs/dbraw/zinc/27/38/96/475273896.db2.gz QEPJPUGYMNXEEY-IMJJTQAJSA-N 1 0 333.432 2.762 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000347373899 475277068 /nfs/dbraw/zinc/27/70/68/475277068.db2.gz MOTIXMUZXLFLTK-OVHOFWQVSA-N 1 0 344.415 2.534 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347397296 475296698 /nfs/dbraw/zinc/29/66/98/475296698.db2.gz FNACCQGBARZAGP-OKILXGFUSA-N 1 0 343.431 2.740 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccsc1 ZINC000347401243 475297579 /nfs/dbraw/zinc/29/75/79/475297579.db2.gz CAFZHTBXZHIAMM-AWEZNQCLSA-N 1 0 343.412 2.736 20 5 EFBDRO Cc1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000361259156 475308477 /nfs/dbraw/zinc/30/84/77/475308477.db2.gz ASMYAMSEPLFALC-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CSCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N(C)C ZINC000352495031 475349109 /nfs/dbraw/zinc/34/91/09/475349109.db2.gz IBXDSOUQBGFCEC-OCCSQVGLSA-N 1 0 339.461 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296521385 475354475 /nfs/dbraw/zinc/35/44/75/475354475.db2.gz FBLDJLKTFVMEAI-AGUYFDCRSA-N 1 0 332.404 2.958 20 5 EFBDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296563592 475372054 /nfs/dbraw/zinc/37/20/54/475372054.db2.gz CPDVHMKLYNEZOF-SUMWQHHRSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296590059 475385075 /nfs/dbraw/zinc/38/50/75/475385075.db2.gz WZBMFWCTCNKYEH-OBJOEFQTSA-N 1 0 332.404 2.580 20 5 EFBDRO C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296595717 475387468 /nfs/dbraw/zinc/38/74/68/475387468.db2.gz CWZMMTOSHABMAC-ZDUSSCGKSA-N 1 0 334.420 2.782 20 5 EFBDRO O=C1[C@@H]([N@@H+]2CC[C@H](CC3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339675330 475399068 /nfs/dbraw/zinc/39/90/68/475399068.db2.gz QUTFKNQWJVLWRA-PBHICJAKSA-N 1 0 329.400 2.822 20 5 EFBDRO COCC1(C)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000354774768 475400825 /nfs/dbraw/zinc/40/08/25/475400825.db2.gz AYSSLXPEPVLZKD-UHFFFAOYSA-N 1 0 338.404 2.861 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000348140342 475421190 /nfs/dbraw/zinc/42/11/90/475421190.db2.gz BBHVWTOZGYHIIU-GHMZBOCLSA-N 1 0 341.795 2.591 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000348139158 475421228 /nfs/dbraw/zinc/42/12/28/475421228.db2.gz HOZCULHHCWKADO-ZIAGYGMSSA-N 1 0 335.404 2.637 20 5 EFBDRO COC[C@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000339699307 475421687 /nfs/dbraw/zinc/42/16/87/475421687.db2.gz AILVPZXMYPXHIG-HNNXBMFYSA-N 1 0 328.372 2.619 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000341929065 475421823 /nfs/dbraw/zinc/42/18/23/475421823.db2.gz OBXFEEPQNVKLRI-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000348141799 475422603 /nfs/dbraw/zinc/42/26/03/475422603.db2.gz MGTZIZLSXYBZKI-ZIAGYGMSSA-N 1 0 335.404 2.637 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000341932257 475425175 /nfs/dbraw/zinc/42/51/75/475425175.db2.gz SBVHJVCUIFVMSG-CQSZACIVSA-N 1 0 346.387 2.782 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCNC(=O)CC1 ZINC000296686841 475430151 /nfs/dbraw/zinc/43/01/51/475430151.db2.gz CDPLAXRAZFJJIE-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO C[C@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[N@@H+]1C ZINC000345763175 475430492 /nfs/dbraw/zinc/43/04/92/475430492.db2.gz XJBLDGLVTDSOAY-SUMWQHHRSA-N 1 0 346.431 2.752 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354819543 475436408 /nfs/dbraw/zinc/43/64/08/475436408.db2.gz OQSUQMAHTREQNX-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO COc1cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296707646 475440348 /nfs/dbraw/zinc/44/03/48/475440348.db2.gz LOSFPAXFJYFTCS-GFCCVEGCSA-N 1 0 337.395 2.659 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000331873511 475442641 /nfs/dbraw/zinc/44/26/41/475442641.db2.gz OYUXJETZKLZHHL-XHSDSOJGSA-N 1 0 346.431 2.754 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152870 475444989 /nfs/dbraw/zinc/44/49/89/475444989.db2.gz LEDVLEPNJRPEBS-GXTWGEPZSA-N 1 0 335.404 2.653 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339726797 475447160 /nfs/dbraw/zinc/44/71/60/475447160.db2.gz AFHWNCDWWBABIX-KRWDZBQOSA-N 1 0 349.431 2.619 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCC1 ZINC000339727821 475447416 /nfs/dbraw/zinc/44/74/16/475447416.db2.gz NYJGSKGFOOIUOH-INIZCTEOSA-N 1 0 332.404 2.748 20 5 EFBDRO COC[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296726014 475448974 /nfs/dbraw/zinc/44/89/74/475448974.db2.gz NROLMLMCWDEEFU-INIZCTEOSA-N 1 0 332.360 2.503 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296764263 475466276 /nfs/dbraw/zinc/46/62/76/475466276.db2.gz BYMVDMPBSXQWDU-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000331985212 475477228 /nfs/dbraw/zinc/47/72/28/475477228.db2.gz TWPXAHCSDLOLQD-RUGDWHBFSA-N 1 0 334.416 2.826 20 5 EFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345817966 475479817 /nfs/dbraw/zinc/47/98/17/475479817.db2.gz QKWBWCGXGPTSPN-KRWDZBQOSA-N 1 0 344.415 2.809 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000345824529 475484252 /nfs/dbraw/zinc/48/42/52/475484252.db2.gz WZUBHVANKLAKAK-HZPDHXFCSA-N 1 0 343.383 2.859 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000354883348 475489793 /nfs/dbraw/zinc/48/97/93/475489793.db2.gz KVVWACMFUFZYRN-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000296818882 475490440 /nfs/dbraw/zinc/49/04/40/475490440.db2.gz FVRRTISWMASYOT-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352665540 475507195 /nfs/dbraw/zinc/50/71/95/475507195.db2.gz FKASFXZMRSCORJ-PWSUYJOCSA-N 1 0 346.330 2.550 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C(=O)NC)cc1[N+](=O)[O-] ZINC000358231726 475512229 /nfs/dbraw/zinc/51/22/29/475512229.db2.gz ASKYEOBLFAVDHI-UBHSHLNASA-N 1 0 335.404 2.559 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CCCCC1 ZINC000345856684 475513854 /nfs/dbraw/zinc/51/38/54/475513854.db2.gz ZGKPDLKEDVVKDN-UHFFFAOYSA-N 1 0 348.447 2.825 20 5 EFBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])n3C)CC2)CC1 ZINC000332114936 475518075 /nfs/dbraw/zinc/51/80/75/475518075.db2.gz HAXCBTQIZFPYSG-UHFFFAOYSA-N 1 0 348.447 2.706 20 5 EFBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339811237 475524037 /nfs/dbraw/zinc/52/40/37/475524037.db2.gz JDIZZLDPYASAKU-INIZCTEOSA-N 1 0 335.404 2.670 20 5 EFBDRO Cc1cc(F)c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296926875 475538515 /nfs/dbraw/zinc/53/85/15/475538515.db2.gz ZNHDSRREFHZXSQ-SMDDNHRTSA-N 1 0 338.383 2.893 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000342065296 475542358 /nfs/dbraw/zinc/54/23/58/475542358.db2.gz GHMMKMAWJQLCDS-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1c(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000358268531 475545551 /nfs/dbraw/zinc/54/55/51/475545551.db2.gz TWOMXKDZIWMQEZ-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332203587 475555279 /nfs/dbraw/zinc/55/52/79/475555279.db2.gz SZRSWYATZLYUNW-MELADBBJSA-N 1 0 332.404 2.803 20 5 EFBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572177 475558082 /nfs/dbraw/zinc/55/80/82/475558082.db2.gz CGPJEUVTTUEZPU-WDEREUQCSA-N 1 0 343.811 2.932 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)=O)C1 ZINC000358290292 475563941 /nfs/dbraw/zinc/56/39/41/475563941.db2.gz QVHGMZKPDDZGEK-KBPBESRZSA-N 1 0 337.445 2.676 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000354968405 475566791 /nfs/dbraw/zinc/56/67/91/475566791.db2.gz AIGXEPQBBPYCTB-DXCKQFNASA-N 1 0 338.404 2.838 20 5 EFBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000346176832 475567560 /nfs/dbraw/zinc/56/75/60/475567560.db2.gz ZYBDSKZADRDYMM-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296997899 475568897 /nfs/dbraw/zinc/56/88/97/475568897.db2.gz UUOMDNNRIPEIHM-QGZVFWFLSA-N 1 0 348.403 2.553 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332246996 475573556 /nfs/dbraw/zinc/57/35/56/475573556.db2.gz BIKVOQWBGMLJCT-HIFRSBDPSA-N 1 0 347.415 2.670 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000332246998 475573622 /nfs/dbraw/zinc/57/36/22/475573622.db2.gz BIKVOQWBGMLJCT-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358304301 475573886 /nfs/dbraw/zinc/57/38/86/475573886.db2.gz SPFTWXQADKCIMS-VHSSKADRSA-N 1 0 333.432 2.623 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000332266916 475582794 /nfs/dbraw/zinc/58/27/94/475582794.db2.gz FNDOQZPQBIKCJC-TUUVXOQKSA-N 1 0 346.431 2.733 20 5 EFBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000348310760 475583172 /nfs/dbraw/zinc/58/31/72/475583172.db2.gz RFCDVERARWNLBG-ZDUSSCGKSA-N 1 0 336.413 2.921 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000332306595 475594394 /nfs/dbraw/zinc/59/43/94/475594394.db2.gz GWJPHCDGNOYKKM-BBRMVZONSA-N 1 0 349.431 2.766 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000352777906 475613349 /nfs/dbraw/zinc/61/33/49/475613349.db2.gz IHKKTWUTSCFIGO-CQSZACIVSA-N 1 0 344.415 2.792 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000355034383 475613590 /nfs/dbraw/zinc/61/35/90/475613590.db2.gz HCWBDZARJMMTDD-UONOGXRCSA-N 1 0 334.372 2.521 20 5 EFBDRO Cc1cnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000358359172 475616134 /nfs/dbraw/zinc/61/61/34/475616134.db2.gz SOGULGSEAMIWAD-INIZCTEOSA-N 1 0 326.400 2.847 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332406626 475628371 /nfs/dbraw/zinc/62/83/71/475628371.db2.gz CGVDPDWFWWFOFL-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358376055 475629447 /nfs/dbraw/zinc/62/94/47/475629447.db2.gz RKWORHSHJZGLHG-MWLCHTKSSA-N 1 0 336.310 2.957 20 5 EFBDRO Cn1nccc1C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000348380058 475630985 /nfs/dbraw/zinc/63/09/85/475630985.db2.gz VIYSVTZFTYHVTN-UHFFFAOYSA-N 1 0 341.371 2.658 20 5 EFBDRO COc1ccc(OCCN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332423287 475633090 /nfs/dbraw/zinc/63/30/90/475633090.db2.gz AQWQHRKPSXTMDG-CABCVRRESA-N 1 0 349.431 2.541 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332473812 475647477 /nfs/dbraw/zinc/64/74/77/475647477.db2.gz UGORBPQFMHOEBL-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000358402433 475651414 /nfs/dbraw/zinc/65/14/14/475651414.db2.gz ZYDXIZANDRIHJS-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000332550917 475665054 /nfs/dbraw/zinc/66/50/54/475665054.db2.gz JSAVJXRFVJWHQQ-CVEARBPZSA-N 1 0 346.431 2.671 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000361698115 475673944 /nfs/dbraw/zinc/67/39/44/475673944.db2.gz BRUSJMILTYWWIF-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585973 475676989 /nfs/dbraw/zinc/67/69/89/475676989.db2.gz IMLIVNFOSLZISA-DGCLKSJQSA-N 1 0 336.367 2.824 20 5 EFBDRO CCC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000355115415 475677148 /nfs/dbraw/zinc/67/71/48/475677148.db2.gz RORJBUUGYAMTBH-QGZVFWFLSA-N 1 0 335.448 2.836 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000348471370 475685840 /nfs/dbraw/zinc/68/58/40/475685840.db2.gz UKUGBFYMZJMXFX-OWCLPIDISA-N 1 0 349.456 2.964 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000361734293 475706894 /nfs/dbraw/zinc/70/68/94/475706894.db2.gz OVLYMZGCDNJKLA-IBGZPJMESA-N 1 0 344.411 2.934 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348520577 475719080 /nfs/dbraw/zinc/71/90/80/475719080.db2.gz KRGXKWKDGYBHHQ-AAEUAGOBSA-N 1 0 346.330 2.732 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000348522153 475720838 /nfs/dbraw/zinc/72/08/38/475720838.db2.gz VSSLIXVUNIYFQT-PWSUYJOCSA-N 1 0 334.294 2.992 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCNC(=O)OC(C)(C)C ZINC000297362020 475723572 /nfs/dbraw/zinc/72/35/72/475723572.db2.gz GWKMCODQGVESJY-UHFFFAOYSA-N 1 0 339.392 2.560 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361755468 475724923 /nfs/dbraw/zinc/72/49/23/475724923.db2.gz QWGUJTAOHDGTRW-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348531970 475731354 /nfs/dbraw/zinc/73/13/54/475731354.db2.gz MXJUWPRMHLQHGA-XDTLVQLUSA-N 1 0 343.330 2.672 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348534114 475733390 /nfs/dbraw/zinc/73/33/90/475733390.db2.gz OXIKQCBOIQZGFG-ZBFHGGJFSA-N 1 0 330.388 2.556 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348538665 475738737 /nfs/dbraw/zinc/73/87/37/475738737.db2.gz UPSFNBNPILZABE-OLZOCXBDSA-N 1 0 343.330 2.592 20 5 EFBDRO Cc1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000338285097 475747410 /nfs/dbraw/zinc/74/74/10/475747410.db2.gz MYNAMJVADSLZSF-IBGZPJMESA-N 1 0 341.411 2.952 20 5 EFBDRO NC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000346680894 475759178 /nfs/dbraw/zinc/75/91/78/475759178.db2.gz XZQPSBOROLMMPF-AWEZNQCLSA-N 1 0 347.802 2.682 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297467635 475768910 /nfs/dbraw/zinc/76/89/10/475768910.db2.gz NNWLELFJTZZYGZ-ZDUSSCGKSA-N 1 0 334.420 2.828 20 5 EFBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000355261102 475786195 /nfs/dbraw/zinc/78/61/95/475786195.db2.gz IWYUZNWLIZMTPI-UHFFFAOYSA-N 1 0 331.372 2.903 20 5 EFBDRO CC1=CC[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000346717276 475793762 /nfs/dbraw/zinc/79/37/62/475793762.db2.gz CZKUQOUSFDONKY-UHFFFAOYSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000355278014 475795069 /nfs/dbraw/zinc/79/50/69/475795069.db2.gz PFCPZPOFYRFTOF-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297567088 475808970 /nfs/dbraw/zinc/80/89/70/475808970.db2.gz RWHLCZJKWWVRJV-KBPBESRZSA-N 1 0 335.404 2.595 20 5 EFBDRO C[NH+](C)[C@]1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000297575025 475813098 /nfs/dbraw/zinc/81/30/98/475813098.db2.gz SIDRHGKWHQXTDA-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1c1ncc[nH]1 ZINC000355315794 475822396 /nfs/dbraw/zinc/82/23/96/475822396.db2.gz MZBFZBBSKPQBGL-INIZCTEOSA-N 1 0 329.404 2.505 20 5 EFBDRO CCOC(=O)c1cc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000358660441 475842211 /nfs/dbraw/zinc/84/22/11/475842211.db2.gz GJJHEQLZGWOMMS-UHFFFAOYSA-N 1 0 335.404 2.694 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000346769706 475843109 /nfs/dbraw/zinc/84/31/09/475843109.db2.gz KXJAJOJNGKROJG-CHWSQXEVSA-N 1 0 334.420 2.581 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1O ZINC000361903256 475854257 /nfs/dbraw/zinc/85/42/57/475854257.db2.gz DXJCRFBEJQOISU-HOTGVXAUSA-N 1 0 338.404 2.991 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1O ZINC000361903257 475854820 /nfs/dbraw/zinc/85/48/20/475854820.db2.gz DXJCRFBEJQOISU-HZPDHXFCSA-N 1 0 338.404 2.991 20 5 EFBDRO CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000353325019 475870588 /nfs/dbraw/zinc/87/05/88/475870588.db2.gz YVVJLPJNJYRVQB-UHFFFAOYSA-N 1 0 338.433 2.544 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297816765 475894755 /nfs/dbraw/zinc/89/47/55/475894755.db2.gz ZBCGLDSVDOMZKU-LXZKKBNFSA-N 1 0 346.431 2.782 20 5 EFBDRO CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343267463 475907123 /nfs/dbraw/zinc/90/71/23/475907123.db2.gz UZHJYAFYOGRNJY-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO CN(C)C(=O)CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358804710 475954020 /nfs/dbraw/zinc/95/40/20/475954020.db2.gz WNTRYSLHGSSENJ-ALCCZGGFSA-N 1 0 331.416 2.798 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000340338030 475959929 /nfs/dbraw/zinc/95/99/29/475959929.db2.gz BJRHJJGLNSFOBO-SNVBAGLBSA-N 1 0 345.321 2.637 20 5 EFBDRO CCSCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000358825906 475968986 /nfs/dbraw/zinc/96/89/86/475968986.db2.gz OLCJIQGEOMCTKK-UHFFFAOYSA-N 1 0 349.460 2.736 20 5 EFBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000355493646 475983935 /nfs/dbraw/zinc/98/39/35/475983935.db2.gz JHFSSMYUYHOVLG-UITAMQMPSA-N 1 0 337.379 2.740 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298169776 476006743 /nfs/dbraw/zinc/00/67/43/476006743.db2.gz RSQZVODVJJWCFJ-MRXNPFEDSA-N 1 0 339.395 2.908 20 5 EFBDRO CCOc1cc(N2CC[NH+](CC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000355527579 476010067 /nfs/dbraw/zinc/01/00/67/476010067.db2.gz IBUFQFZXZBPESB-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343400984 476028810 /nfs/dbraw/zinc/02/88/10/476028810.db2.gz LCWNVRNQJFVGIE-HUUCEWRRSA-N 1 0 334.351 2.570 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@H](C)C1 ZINC000362144971 476029975 /nfs/dbraw/zinc/02/99/75/476029975.db2.gz SOBATISMAQHKMS-ZFWWWQNUSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353516683 476038052 /nfs/dbraw/zinc/03/80/52/476038052.db2.gz JCILKKNWPDZGIP-WMLDXEAASA-N 1 0 345.447 2.738 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000340444114 476038593 /nfs/dbraw/zinc/03/85/93/476038593.db2.gz JUNKIWMRKYQSSL-QGZVFWFLSA-N 1 0 339.395 2.794 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC000362162334 476041845 /nfs/dbraw/zinc/04/18/45/476041845.db2.gz LOYLKKKHXSNZFT-WMLDXEAASA-N 1 0 349.431 2.695 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000355754937 476059250 /nfs/dbraw/zinc/05/92/50/476059250.db2.gz ILZYSGPRIRJNIN-LBPRGKRZSA-N 1 0 336.388 2.767 20 5 EFBDRO Cn1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000358962388 476072738 /nfs/dbraw/zinc/07/27/38/476072738.db2.gz HAEYEOCUKDSJBF-UHFFFAOYSA-N 1 0 328.347 2.953 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000338648172 476084268 /nfs/dbraw/zinc/08/42/68/476084268.db2.gz VCRDPRRZCVMDSO-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000350185884 476086604 /nfs/dbraw/zinc/08/66/04/476086604.db2.gz YGXTUOMPCGNBQE-MRXNPFEDSA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334041509 476096222 /nfs/dbraw/zinc/09/62/22/476096222.db2.gz JHWZSEBBBOLQMP-ONGXEEELSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1cnc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000343648821 476096633 /nfs/dbraw/zinc/09/66/33/476096633.db2.gz MKQIMHJYQYDJKI-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000340549612 476100436 /nfs/dbraw/zinc/10/04/36/476100436.db2.gz MQWXYIPKHXINRQ-OAHLLOKOSA-N 1 0 330.388 2.736 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000340549611 476100763 /nfs/dbraw/zinc/10/07/63/476100763.db2.gz MQWXYIPKHXINRQ-HNNXBMFYSA-N 1 0 330.388 2.736 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000334086688 476108222 /nfs/dbraw/zinc/10/82/22/476108222.db2.gz GIKWNQXQXGPSLV-CABZTGNLSA-N 1 0 345.321 2.826 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000362246470 476110389 /nfs/dbraw/zinc/11/03/89/476110389.db2.gz QTDZSDHASNNTNB-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000340573731 476115456 /nfs/dbraw/zinc/11/54/56/476115456.db2.gz MTFJCZTXIFVUSB-SJORKVTESA-N 1 0 341.411 2.951 20 5 EFBDRO COc1ccc(-c2ccc(CN3CC[N@H+](C)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000353608914 476120937 /nfs/dbraw/zinc/12/09/37/476120937.db2.gz SEYUFQLRKXHZDF-CYBMUJFWSA-N 1 0 345.399 2.999 20 5 EFBDRO O=C(C1CC1)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000338713488 476127974 /nfs/dbraw/zinc/12/79/74/476127974.db2.gz KVSIQBYWVFTAOD-HYXAFXHYSA-N 1 0 329.400 2.599 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353622571 476131094 /nfs/dbraw/zinc/13/10/94/476131094.db2.gz OEJJFAAEGYUCJC-MRXNPFEDSA-N 1 0 344.415 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000350322308 476135838 /nfs/dbraw/zinc/13/58/38/476135838.db2.gz UBUNRZDWMREJQC-QPJJXVBHSA-N 1 0 346.408 2.672 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343971018 476141040 /nfs/dbraw/zinc/14/10/40/476141040.db2.gz KISNGQRWVJRIBH-YDHLFZDLSA-N 1 0 334.420 2.746 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCCCCC2)cc1 ZINC000350361824 476154983 /nfs/dbraw/zinc/15/49/83/476154983.db2.gz WWDXVRHKRCXIBR-UHFFFAOYSA-N 1 0 340.445 2.929 20 5 EFBDRO COc1c(C(=O)NCc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353656612 476161638 /nfs/dbraw/zinc/16/16/38/476161638.db2.gz LOPAEIMJBHVDHX-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000344175551 476166444 /nfs/dbraw/zinc/16/64/44/476166444.db2.gz GETFAQHBHWGWOW-KRWDZBQOSA-N 1 0 343.358 2.863 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000338765166 476168213 /nfs/dbraw/zinc/16/82/13/476168213.db2.gz CHNSWDWNYIUMAI-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359076575 476168616 /nfs/dbraw/zinc/16/86/16/476168616.db2.gz WJPMBEKHVGRYIL-ZDUSSCGKSA-N 1 0 325.368 2.788 20 5 EFBDRO CC[N@H+](CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338766867 476169308 /nfs/dbraw/zinc/16/93/08/476169308.db2.gz AOLIGPLJYFHDGG-ZDUSSCGKSA-N 1 0 339.461 2.922 20 5 EFBDRO CC[N@H+](CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-])C(C)C ZINC000338769771 476173616 /nfs/dbraw/zinc/17/36/16/476173616.db2.gz LRHRCSBEUCYNES-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000357031884 476174782 /nfs/dbraw/zinc/17/47/82/476174782.db2.gz CTZDTNLJNQNNQG-UONOGXRCSA-N 1 0 344.415 2.817 20 5 EFBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000362348816 476187442 /nfs/dbraw/zinc/18/74/42/476187442.db2.gz NOKHJPLMWRQQNT-UHFFFAOYSA-N 1 0 330.363 2.938 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1c1nccn1C ZINC000344258227 476192452 /nfs/dbraw/zinc/19/24/52/476192452.db2.gz YMRGOFHDSVJATN-UNEWFSDZSA-N 1 0 344.415 2.769 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000344260980 476194763 /nfs/dbraw/zinc/19/47/63/476194763.db2.gz WMVJUBLGVMBJQN-AWEZNQCLSA-N 1 0 337.376 2.828 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000347255290 476208744 /nfs/dbraw/zinc/20/87/44/476208744.db2.gz RSGVWEUSINXRNV-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000344285400 476216749 /nfs/dbraw/zinc/21/67/49/476216749.db2.gz KKYDUDWDQBFGCO-VBNZEHGJSA-N 1 0 334.420 2.828 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344285460 476217418 /nfs/dbraw/zinc/21/74/18/476217418.db2.gz RMBGMLYZSILYIS-MRXNPFEDSA-N 1 0 343.358 2.867 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347285121 476230101 /nfs/dbraw/zinc/23/01/01/476230101.db2.gz GMQWLFWHBZASPG-BLLLJJGKSA-N 1 0 329.404 2.530 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000353737502 476230956 /nfs/dbraw/zinc/23/09/56/476230956.db2.gz LYBCSCAUCHXSDC-HNNXBMFYSA-N 1 0 336.388 2.815 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000347294257 476237144 /nfs/dbraw/zinc/23/71/44/476237144.db2.gz WQGRVXXUVVGBAO-UHFFFAOYSA-N 1 0 334.351 2.602 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000359482133 476238377 /nfs/dbraw/zinc/23/83/77/476238377.db2.gz OYSFZPPCGOLJAN-GOSISDBHSA-N 1 0 327.384 2.644 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347299061 476242423 /nfs/dbraw/zinc/24/24/23/476242423.db2.gz XYCBURMJXKBHJP-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353750438 476246580 /nfs/dbraw/zinc/24/65/80/476246580.db2.gz OFLXRTQLLIGMMM-SFHVURJKSA-N 1 0 331.416 2.820 20 5 EFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]2C ZINC000359538379 476246778 /nfs/dbraw/zinc/24/67/78/476246778.db2.gz AWUJSQQHLHEGAQ-STQMWFEESA-N 1 0 330.388 2.808 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000353768247 476258958 /nfs/dbraw/zinc/25/89/58/476258958.db2.gz NQXWBIPDLGFUJF-TZMCWYRMSA-N 1 0 336.388 2.815 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353768244 476259225 /nfs/dbraw/zinc/25/92/25/476259225.db2.gz NQXWBIPDLGFUJF-GXTWGEPZSA-N 1 0 336.388 2.815 20 5 EFBDRO CC(C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000303993436 476259218 /nfs/dbraw/zinc/25/92/18/476259218.db2.gz NUNVGAQQWWUMFA-ZDUSSCGKSA-N 1 0 333.388 2.884 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000303996792 476260050 /nfs/dbraw/zinc/26/00/50/476260050.db2.gz PJTJTVRHXSHVKV-UHFFFAOYSA-N 1 0 349.431 2.859 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304287900 476275249 /nfs/dbraw/zinc/27/52/49/476275249.db2.gz IRALTBSGUHEERL-CXAGYDPISA-N 1 0 344.415 2.636 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038723 476285530 /nfs/dbraw/zinc/28/55/30/476285530.db2.gz ICTWJTSLXBMIKD-KBMXLJTQSA-N 1 0 346.431 2.528 20 5 EFBDRO CCc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000357243830 476302662 /nfs/dbraw/zinc/30/26/62/476302662.db2.gz RGWQBZOIQNPJBL-QGZVFWFLSA-N 1 0 339.395 2.774 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cnn3ccccc23)n1 ZINC000353864436 476305372 /nfs/dbraw/zinc/30/53/72/476305372.db2.gz IZMZKMVHDGKHIK-HOCLYGCPSA-N 1 0 340.387 2.713 20 5 EFBDRO CC(C)C[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362552632 476306133 /nfs/dbraw/zinc/30/61/33/476306133.db2.gz USCVYCDPMLSSAC-CZUORRHYSA-N 1 0 345.399 2.595 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000357260771 476307096 /nfs/dbraw/zinc/30/70/96/476307096.db2.gz DXTKSFIONYDWEH-GXTWGEPZSA-N 1 0 337.395 2.608 20 5 EFBDRO COC(=O)[C@@H]1CC12CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000353898719 476317291 /nfs/dbraw/zinc/31/72/91/476317291.db2.gz KRTPQYKWOCBYRA-VOKGJARPSA-N 1 0 330.384 2.883 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000357307278 476324210 /nfs/dbraw/zinc/32/42/10/476324210.db2.gz QRYFHUHDHWHWOJ-MRXNPFEDSA-N 1 0 342.399 2.563 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000360664324 476333744 /nfs/dbraw/zinc/33/37/44/476333744.db2.gz PBGJAZVNNDZYOI-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353965976 476340071 /nfs/dbraw/zinc/34/00/71/476340071.db2.gz KGSHTJUGWIDVNY-CQSZACIVSA-N 1 0 332.404 2.525 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362651554 476340422 /nfs/dbraw/zinc/34/04/22/476340422.db2.gz QBTXXCRCPWFVHX-OAHLLOKOSA-N 1 0 331.416 2.830 20 5 EFBDRO COc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000357354495 476343384 /nfs/dbraw/zinc/34/33/84/476343384.db2.gz NTICOYOOCAQYRU-UHFFFAOYSA-N 1 0 335.404 2.585 20 5 EFBDRO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976482 476344344 /nfs/dbraw/zinc/34/43/44/476344344.db2.gz XSVTXKYUSRHKFV-OAGGEKHMSA-N 1 0 335.452 2.739 20 5 EFBDRO CC[C@@H]1CN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000362673534 476347540 /nfs/dbraw/zinc/34/75/40/476347540.db2.gz ORJSDRCZCKWMGB-GFCCVEGCSA-N 1 0 345.346 2.719 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000363389448 476359677 /nfs/dbraw/zinc/35/96/77/476359677.db2.gz COXZNBLGDHARIR-NSHDSACASA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363390384 476359704 /nfs/dbraw/zinc/35/97/04/476359704.db2.gz JTHJRRFPJSYULJ-CQSZACIVSA-N 1 0 346.431 2.530 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357458252 476396827 /nfs/dbraw/zinc/39/68/27/476396827.db2.gz YWEMTTCZUQEEDS-STQMWFEESA-N 1 0 337.395 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000377482628 476412561 /nfs/dbraw/zinc/41/25/61/476412561.db2.gz YORKLPZSVNKOCZ-UHFFFAOYSA-N 1 0 337.395 2.673 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000354083381 476413604 /nfs/dbraw/zinc/41/36/04/476413604.db2.gz BSKDRZAOAPEYJN-SNVBAGLBSA-N 1 0 328.210 2.888 20 5 EFBDRO COc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354099035 476425758 /nfs/dbraw/zinc/42/57/58/476425758.db2.gz AQYOSHGQUGBNKJ-INIZCTEOSA-N 1 0 333.432 2.767 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362850377 476439532 /nfs/dbraw/zinc/43/95/32/476439532.db2.gz BAMMIEHMSLXKBA-BBRMVZONSA-N 1 0 334.420 2.637 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000360881776 476451232 /nfs/dbraw/zinc/45/12/32/476451232.db2.gz UOEXQRAOYPAOOW-CYBMUJFWSA-N 1 0 343.431 2.978 20 5 EFBDRO CC[C@@H](C(=O)OC(C)(C)C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369676587 476473350 /nfs/dbraw/zinc/47/33/50/476473350.db2.gz QSPILBRBJSRHSN-ZDUSSCGKSA-N 1 0 338.408 2.549 20 5 EFBDRO CSC1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH+](C)CC1 ZINC000357587541 476473702 /nfs/dbraw/zinc/47/37/02/476473702.db2.gz TVELNDPABHJNDX-UHFFFAOYSA-N 1 0 346.456 2.804 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354177108 476483358 /nfs/dbraw/zinc/48/33/58/476483358.db2.gz ZHMSUAXLBUHFRN-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363683320 476494582 /nfs/dbraw/zinc/49/45/82/476494582.db2.gz CRBIMXJFXAHZHI-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000360949283 476496397 /nfs/dbraw/zinc/49/63/97/476496397.db2.gz IJYLYNQBDMOGQK-UHFFFAOYSA-N 1 0 335.452 2.822 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000369767654 476514350 /nfs/dbraw/zinc/51/43/50/476514350.db2.gz UDQCDCBTZFPQFW-OAHLLOKOSA-N 1 0 349.456 2.921 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000360970930 476514958 /nfs/dbraw/zinc/51/49/58/476514958.db2.gz XAXPIKVVMIFYFO-UHFFFAOYSA-N 1 0 346.475 2.757 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000369772667 476517237 /nfs/dbraw/zinc/51/72/37/476517237.db2.gz LZIXSAPMHDYOBA-ZWKOTPCHSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000369772665 476517444 /nfs/dbraw/zinc/51/74/44/476517444.db2.gz LZIXSAPMHDYOBA-QZTJIDSGSA-N 1 0 339.395 2.731 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357656326 476519260 /nfs/dbraw/zinc/51/92/60/476519260.db2.gz IXTIOELZUYAEMD-UHFFFAOYSA-N 1 0 330.388 2.682 20 5 EFBDRO COC1CC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000352203771 476549199 /nfs/dbraw/zinc/54/91/99/476549199.db2.gz VHDSCSSSELCHMA-UHFFFAOYSA-N 1 0 331.372 2.902 20 5 EFBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363074106 476550008 /nfs/dbraw/zinc/55/00/08/476550008.db2.gz JWSDXMYOPYIBIY-CQSZACIVSA-N 1 0 330.388 2.587 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000374857220 476557744 /nfs/dbraw/zinc/55/77/44/476557744.db2.gz MYAMJCYEFFSNRA-BQYQJAHWSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354287994 476562355 /nfs/dbraw/zinc/56/23/55/476562355.db2.gz ASUJCSHGUDHYNU-GJZGRUSLSA-N 1 0 345.443 2.958 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363108778 476563552 /nfs/dbraw/zinc/56/35/52/476563552.db2.gz XXWNMRICUFFDRA-CABCVRRESA-N 1 0 346.431 2.772 20 5 EFBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000361077868 476585698 /nfs/dbraw/zinc/58/56/98/476585698.db2.gz DEVNFJQXRKBFBD-ZIAGYGMSSA-N 1 0 345.424 2.927 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000357777835 476596352 /nfs/dbraw/zinc/59/63/52/476596352.db2.gz KJQZSTFLIYWQPE-NSHDSACASA-N 1 0 346.387 2.749 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000354343020 476598320 /nfs/dbraw/zinc/59/83/20/476598320.db2.gz HWNQKGPQORXBMW-CHWSQXEVSA-N 1 0 335.404 2.596 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000361100199 476601428 /nfs/dbraw/zinc/60/14/28/476601428.db2.gz XYMQOHYMXHPLJV-OCCSQVGLSA-N 1 0 334.420 2.628 20 5 EFBDRO COc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000377837736 476605016 /nfs/dbraw/zinc/60/50/16/476605016.db2.gz QLKNHMHPOYQGSS-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000361113569 476609784 /nfs/dbraw/zinc/60/97/84/476609784.db2.gz ZNZRZJSLUOIBOC-ZFWWWQNUSA-N 1 0 346.431 2.725 20 5 EFBDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361129205 476621581 /nfs/dbraw/zinc/62/15/81/476621581.db2.gz DKOGCHYGNBRRJV-CJNGLKHVSA-N 1 0 345.399 2.643 20 5 EFBDRO COc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354396534 476635879 /nfs/dbraw/zinc/63/58/79/476635879.db2.gz WPKYEGYJPSUKSS-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000357834470 476638176 /nfs/dbraw/zinc/63/81/76/476638176.db2.gz FIKSYTASOWSDPI-UHFFFAOYSA-N 1 0 339.411 2.812 20 5 EFBDRO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000357853604 476649426 /nfs/dbraw/zinc/64/94/26/476649426.db2.gz ZNDBFTKGZPXOSM-XHDPSFHLSA-N 1 0 337.395 2.610 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000357853601 476649548 /nfs/dbraw/zinc/64/95/48/476649548.db2.gz ZNDBFTKGZPXOSM-ABAIWWIYSA-N 1 0 337.395 2.610 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000365622363 476651919 /nfs/dbraw/zinc/65/19/19/476651919.db2.gz FKGKTHVSOJBASP-HNNXBMFYSA-N 1 0 344.415 2.977 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363328248 476654208 /nfs/dbraw/zinc/65/42/08/476654208.db2.gz DXXFSGHFUMXUFM-VXGBXAGGSA-N 1 0 338.795 2.997 20 5 EFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000357860822 476654725 /nfs/dbraw/zinc/65/47/25/476654725.db2.gz XATHFQGEWVKNPP-DYVFJYSZSA-N 1 0 344.415 2.663 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)COc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000357875671 476664165 /nfs/dbraw/zinc/66/41/65/476664165.db2.gz BIGXBRZBMPWGMM-KDOFPFPSSA-N 1 0 349.431 2.600 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000375104012 476677470 /nfs/dbraw/zinc/67/74/70/476677470.db2.gz DVXNQVIODWEENQ-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000375104006 476677775 /nfs/dbraw/zinc/67/77/75/476677775.db2.gz DVXNQVIODWEENQ-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000375105712 476677870 /nfs/dbraw/zinc/67/78/70/476677870.db2.gz OVRCWJYCXRUUOE-CQSZACIVSA-N 1 0 335.404 2.672 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000370201893 476694821 /nfs/dbraw/zinc/69/48/21/476694821.db2.gz PWDDCKDKSRWLEZ-OAHLLOKOSA-N 1 0 333.432 2.911 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000429834722 476700283 /nfs/dbraw/zinc/70/02/83/476700283.db2.gz XGNREKGVBUBOIP-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429844524 476702278 /nfs/dbraw/zinc/70/22/78/476702278.db2.gz VRIYMWWHWYBDAC-CQSZACIVSA-N 1 0 333.432 2.721 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000429864775 476706662 /nfs/dbraw/zinc/70/66/62/476706662.db2.gz WTEDJRVWUCIJBS-ZIAGYGMSSA-N 1 0 331.416 2.615 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000370229461 476711027 /nfs/dbraw/zinc/71/10/27/476711027.db2.gz BKYNCLZCBWZIPX-CQSZACIVSA-N 1 0 347.415 2.659 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000422622707 476720552 /nfs/dbraw/zinc/72/05/52/476720552.db2.gz SREZQGGWSDRXFG-UHFFFAOYSA-N 1 0 348.325 2.540 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000429966115 476726116 /nfs/dbraw/zinc/72/61/16/476726116.db2.gz DVUGZIHUBHXSHB-PXAZEXFGSA-N 1 0 343.383 2.556 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365850080 476730857 /nfs/dbraw/zinc/73/08/57/476730857.db2.gz RHHQUIVNAICALZ-DIFFPNOSSA-N 1 0 344.371 2.553 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000382463314 476742331 /nfs/dbraw/zinc/74/23/31/476742331.db2.gz YHJBWXZJKVTPGW-DTWKUNHWSA-N 1 0 329.198 2.600 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386850894 476770166 /nfs/dbraw/zinc/77/01/66/476770166.db2.gz ZGIKGLKDTQBBLO-UHFFFAOYSA-N 1 0 329.404 2.795 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)CC1 ZINC000370386139 476784061 /nfs/dbraw/zinc/78/40/61/476784061.db2.gz DKHSHUUWLPSKDW-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422820378 476794404 /nfs/dbraw/zinc/79/44/04/476794404.db2.gz QGFXOVRDPYVLIO-UHFFFAOYSA-N 1 0 345.852 2.974 20 5 EFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000422840854 476804633 /nfs/dbraw/zinc/80/46/33/476804633.db2.gz CEXNFIXAGPTABP-ONGXEEELSA-N 1 0 343.836 2.536 20 5 EFBDRO COc1cc(C(=O)NCC[NH2+]C2CCCCCC2)cc([N+](=O)[O-])c1C ZINC000422871449 476821539 /nfs/dbraw/zinc/82/15/39/476821539.db2.gz CXGLBNCIZKFIRC-UHFFFAOYSA-N 1 0 349.431 2.954 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000392303251 476824168 /nfs/dbraw/zinc/82/41/68/476824168.db2.gz APUNSWBLMGHPEQ-GFCCVEGCSA-N 1 0 332.404 2.622 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000392235868 476824216 /nfs/dbraw/zinc/82/42/16/476824216.db2.gz ZNWQTIAXHXBZCZ-TUYSUELWSA-N 1 0 329.400 2.599 20 5 EFBDRO CCC([NH3+])(CC)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422880876 476825790 /nfs/dbraw/zinc/82/57/90/476825790.db2.gz PEDKJPWKIHMTCQ-UHFFFAOYSA-N 1 0 345.852 2.974 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000457028005 476835592 /nfs/dbraw/zinc/83/55/92/476835592.db2.gz JPDUKPJJGFKJOK-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452123684 476840799 /nfs/dbraw/zinc/84/07/99/476840799.db2.gz VRLGXPQOGCQBFY-MRXNPFEDSA-N 1 0 348.447 2.646 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000457048936 476846059 /nfs/dbraw/zinc/84/60/59/476846059.db2.gz FABWTQMYWRBBNY-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000446274514 476853215 /nfs/dbraw/zinc/85/32/15/476853215.db2.gz GVVFQBJPOUAFGA-HOCLYGCPSA-N 1 0 333.432 2.859 20 5 EFBDRO CC(C)(C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457066304 476856022 /nfs/dbraw/zinc/85/60/22/476856022.db2.gz YKSZRVVXCQWBNT-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457078030 476862400 /nfs/dbraw/zinc/86/24/00/476862400.db2.gz AIHBICXQDWIVGI-ZDUSSCGKSA-N 1 0 342.399 2.698 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452173548 476868589 /nfs/dbraw/zinc/86/85/89/476868589.db2.gz NEMXEGIBDQCWKP-LLVKDONJSA-N 1 0 337.807 2.805 20 5 EFBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000452174021 476868791 /nfs/dbraw/zinc/86/87/91/476868791.db2.gz OQFSEQAMBKLBHH-CHWSQXEVSA-N 1 0 349.406 2.780 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457089205 476869318 /nfs/dbraw/zinc/86/93/18/476869318.db2.gz LCAGFMNLJPSUNN-AWEZNQCLSA-N 1 0 333.432 2.814 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000457094566 476871804 /nfs/dbraw/zinc/87/18/04/476871804.db2.gz ZQXZRTMRKUBVMC-CQSZACIVSA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC[N@@H+]1C ZINC000446418206 476873379 /nfs/dbraw/zinc/87/33/79/476873379.db2.gz NLYZNPFGSDWCRO-GUYCJALGSA-N 1 0 349.434 2.894 20 5 EFBDRO CSc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000446445584 476876897 /nfs/dbraw/zinc/87/68/97/476876897.db2.gz WPGFARFQAZXOPQ-UHFFFAOYSA-N 1 0 349.456 2.921 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414332884 476880283 /nfs/dbraw/zinc/88/02/83/476880283.db2.gz FFJFYGYALSZVFK-STQMWFEESA-N 1 0 339.461 2.968 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430626200 476884015 /nfs/dbraw/zinc/88/40/15/476884015.db2.gz LOKMBNLFFGBKAH-BBRMVZONSA-N 1 0 344.415 2.994 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000457137159 476897856 /nfs/dbraw/zinc/89/78/56/476897856.db2.gz XBMMJBICOPGMOS-GFCCVEGCSA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1cc(N)cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000414958424 476902631 /nfs/dbraw/zinc/90/26/31/476902631.db2.gz CZRDIYFKBXHFTC-CYBMUJFWSA-N 1 0 342.399 2.992 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423058148 476910323 /nfs/dbraw/zinc/91/03/23/476910323.db2.gz BKGIFNPXIJDRKK-HNNXBMFYSA-N 1 0 335.404 2.517 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000430813486 476920957 /nfs/dbraw/zinc/92/09/57/476920957.db2.gz FAFIMXGJLADPMB-RHSMWYFYSA-N 1 0 348.447 2.929 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000430833417 476924066 /nfs/dbraw/zinc/92/40/66/476924066.db2.gz OXRPHBUDGCFBTK-INIZCTEOSA-N 1 0 349.431 2.519 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415429210 476925097 /nfs/dbraw/zinc/92/50/97/476925097.db2.gz AXLSQKPKLJHGCA-DTWKUNHWSA-N 1 0 346.309 2.828 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000415433628 476926561 /nfs/dbraw/zinc/92/65/61/476926561.db2.gz HAAWIHOLZNHXTH-GFCCVEGCSA-N 1 0 346.309 2.815 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000415434246 476926666 /nfs/dbraw/zinc/92/66/66/476926666.db2.gz HMEXTDYIJZGYHN-KCJUWKMLSA-N 1 0 346.309 2.815 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000415434244 476927135 /nfs/dbraw/zinc/92/71/35/476927135.db2.gz HMEXTDYIJZGYHN-GZMMTYOYSA-N 1 0 346.309 2.815 20 5 EFBDRO COc1cccc(C[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446841533 476927533 /nfs/dbraw/zinc/92/75/33/476927533.db2.gz QTXVUBPGIFLTMG-LLVKDONJSA-N 1 0 341.371 2.596 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]Cc2ccccc21 ZINC000430926229 476936394 /nfs/dbraw/zinc/93/63/94/476936394.db2.gz NANARVPYRKJOOF-ZDUSSCGKSA-N 1 0 340.383 2.532 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000447059542 476946378 /nfs/dbraw/zinc/94/63/78/476946378.db2.gz LKSHIISBUDKMJT-SFHVURJKSA-N 1 0 346.358 2.954 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415653780 476947835 /nfs/dbraw/zinc/94/78/35/476947835.db2.gz IOEBDNJHKBNREO-GFCCVEGCSA-N 1 0 336.392 2.586 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415656843 476948961 /nfs/dbraw/zinc/94/89/61/476948961.db2.gz LTXJGXARGBIPSJ-NEPJUHHUSA-N 1 0 336.392 2.585 20 5 EFBDRO COC1(CO)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000447074152 476949480 /nfs/dbraw/zinc/94/94/80/476949480.db2.gz CMUOPLVPQWJYHM-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO Cc1c(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000415897269 476962235 /nfs/dbraw/zinc/96/22/35/476962235.db2.gz PJISUKJTFATJLV-UHFFFAOYSA-N 1 0 340.383 2.871 20 5 EFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788210 476984228 /nfs/dbraw/zinc/98/42/28/476984228.db2.gz QGYOZWIPDJUTQH-UHFFFAOYSA-N 1 0 344.415 2.526 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000447518147 477001412 /nfs/dbraw/zinc/00/14/12/477001412.db2.gz VHHNXTVAHAMUSC-SOUVJXGZSA-N 1 0 347.419 2.761 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2OCO3)n1 ZINC000447541981 477008241 /nfs/dbraw/zinc/00/82/41/477008241.db2.gz NMGNSZLLSXRWMI-UONOGXRCSA-N 1 0 344.371 2.794 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNc2ccccn2)n1 ZINC000447575086 477015215 /nfs/dbraw/zinc/01/52/15/477015215.db2.gz QFHFYVKADIOTBA-GJZGRUSLSA-N 1 0 344.419 2.762 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCN2C2CC2)n1 ZINC000447591437 477019573 /nfs/dbraw/zinc/01/95/73/477019573.db2.gz ICXRBCWQABBTNP-BRWVUGGUSA-N 1 0 347.463 2.882 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423400850 477019861 /nfs/dbraw/zinc/01/98/61/477019861.db2.gz XHUZZAVPASUGTQ-CZUORRHYSA-N 1 0 348.447 2.680 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423400847 477020168 /nfs/dbraw/zinc/02/01/68/477020168.db2.gz XHUZZAVPASUGTQ-BBRMVZONSA-N 1 0 348.447 2.680 20 5 EFBDRO Cn1ccnc1[C@H](NCCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423478769 477043237 /nfs/dbraw/zinc/04/32/37/477043237.db2.gz LKAGKPKQEIDDMJ-NVXWUHKLSA-N 1 0 343.431 2.540 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431576086 477055243 /nfs/dbraw/zinc/05/52/43/477055243.db2.gz SMGJAWFLGMDVPD-HIFRSBDPSA-N 1 0 349.431 2.519 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423519900 477060424 /nfs/dbraw/zinc/06/04/24/477060424.db2.gz JRGBBDCEXFCUAP-MRXNPFEDSA-N 1 0 337.445 2.826 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CC[NH+](C)C ZINC000447804254 477061163 /nfs/dbraw/zinc/06/11/63/477061163.db2.gz XBIUBRJEXDQVPN-VIFPVBQESA-N 1 0 329.784 2.787 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431676796 477073857 /nfs/dbraw/zinc/07/38/57/477073857.db2.gz ARBXDXWEYKDZNM-HIFRSBDPSA-N 1 0 344.371 2.865 20 5 EFBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000431706315 477079514 /nfs/dbraw/zinc/07/95/14/477079514.db2.gz BJRHGZZJFKAAHH-DLBZAZTESA-N 1 0 330.388 2.565 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423614759 477086684 /nfs/dbraw/zinc/08/66/84/477086684.db2.gz QOGYAQPQIZHSLN-AWEZNQCLSA-N 1 0 335.404 2.502 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423636729 477095908 /nfs/dbraw/zinc/09/59/08/477095908.db2.gz GPYKWOLKQDYXMU-QGZVFWFLSA-N 1 0 349.456 2.923 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423643959 477096744 /nfs/dbraw/zinc/09/67/44/477096744.db2.gz NOZVWSRJXHZIEO-INIZCTEOSA-N 1 0 345.443 2.982 20 5 EFBDRO CC[N@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000452846600 477105393 /nfs/dbraw/zinc/10/53/93/477105393.db2.gz KCQBXVTWHHZRNV-HNNXBMFYSA-N 1 0 331.416 2.785 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)nc2c1 ZINC000371065453 477106375 /nfs/dbraw/zinc/10/63/75/477106375.db2.gz OZKGROFHOHGXBL-ZDUSSCGKSA-N 1 0 331.372 2.985 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)s1 ZINC000447990196 477110880 /nfs/dbraw/zinc/11/08/80/477110880.db2.gz RDDVGRAFVFGCGZ-GOEBONIOSA-N 1 0 348.424 2.953 20 5 EFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000448026612 477119443 /nfs/dbraw/zinc/11/94/43/477119443.db2.gz JBQIGZOXFOYULG-JYJNAYRXSA-N 1 0 349.479 2.985 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423731689 477126316 /nfs/dbraw/zinc/12/63/16/477126316.db2.gz YAODUZSAZNNSKX-YOEHRIQHSA-N 1 0 331.416 2.993 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423736296 477126863 /nfs/dbraw/zinc/12/68/63/477126863.db2.gz FIOFDEVDKPIQJF-KOLCDFICSA-N 1 0 343.836 2.584 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000432001426 477136842 /nfs/dbraw/zinc/13/68/42/477136842.db2.gz XJYHIGCBQQKCKK-HNNXBMFYSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000432044213 477143794 /nfs/dbraw/zinc/14/37/94/477143794.db2.gz AMSXISUBVUFPRN-HUUCEWRRSA-N 1 0 349.431 2.613 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411195976 477149748 /nfs/dbraw/zinc/14/97/48/477149748.db2.gz WOSSBDQKLSXTQL-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411238591 477166696 /nfs/dbraw/zinc/16/66/96/477166696.db2.gz PHKODTSOXZWOJF-CQSZACIVSA-N 1 0 349.431 2.939 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423832775 477174662 /nfs/dbraw/zinc/17/46/62/477174662.db2.gz ALMAFQIEZINGHN-VQISRLSMSA-N 1 0 337.807 2.785 20 5 EFBDRO CC(C)N1CC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457749507 477178427 /nfs/dbraw/zinc/17/84/27/477178427.db2.gz QWZIZZMZCRGZST-UHFFFAOYSA-N 1 0 346.412 2.541 20 5 EFBDRO Cc1c(CNC(=O)C2C[NH+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000457761567 477183533 /nfs/dbraw/zinc/18/35/33/477183533.db2.gz XSYHLRHGKKWHPJ-UHFFFAOYSA-N 1 0 331.416 2.784 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432341914 477197932 /nfs/dbraw/zinc/19/79/32/477197932.db2.gz CVSXMJCWDLZBAN-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO CCC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453263870 477202336 /nfs/dbraw/zinc/20/23/36/477202336.db2.gz UKXPGFCKPDPGCF-QZTJIDSGSA-N 1 0 335.448 2.872 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2nccn21 ZINC000453345520 477211395 /nfs/dbraw/zinc/21/13/95/477211395.db2.gz KENLYTREFCUJKI-MQYQWHSLSA-N 1 0 330.392 2.767 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411381793 477211637 /nfs/dbraw/zinc/21/16/37/477211637.db2.gz FLGYAGHYECVDSM-AWEZNQCLSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000453352636 477212246 /nfs/dbraw/zinc/21/22/46/477212246.db2.gz JYHWDFNRXLWJJH-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411383566 477213295 /nfs/dbraw/zinc/21/32/95/477213295.db2.gz GRYHSKRAAKRLSR-DLBZAZTESA-N 1 0 331.416 2.691 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453374440 477215550 /nfs/dbraw/zinc/21/55/50/477215550.db2.gz ZIPOXGMQMZLSMI-QEORTHHSSA-N 1 0 330.388 2.899 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453411341 477224284 /nfs/dbraw/zinc/22/42/84/477224284.db2.gz AKHHSCNOQPZOHE-AEGPPILISA-N 1 0 347.415 2.798 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000376203301 477226248 /nfs/dbraw/zinc/22/62/48/477226248.db2.gz MJGZPWGPCITVCV-HNNXBMFYSA-N 1 0 337.807 2.852 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000423942111 477226655 /nfs/dbraw/zinc/22/66/55/477226655.db2.gz PIYFZYFUFXYQKA-GFCCVEGCSA-N 1 0 345.321 2.861 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423941752 477226709 /nfs/dbraw/zinc/22/67/09/477226709.db2.gz PGDUDUGGEAOZJR-ABAIWWIYSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000457855190 477232885 /nfs/dbraw/zinc/23/28/85/477232885.db2.gz RARNYZPRRRBGJY-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000457855191 477233238 /nfs/dbraw/zinc/23/32/38/477233238.db2.gz RARNYZPRRRBGJY-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000423968385 477237999 /nfs/dbraw/zinc/23/79/99/477237999.db2.gz KIPLTDSNXIVOMU-QGZVFWFLSA-N 1 0 343.383 2.570 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000423970771 477239093 /nfs/dbraw/zinc/23/90/93/477239093.db2.gz NBCQQHIMDODNFY-QGZVFWFLSA-N 1 0 343.383 2.570 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411455662 477242518 /nfs/dbraw/zinc/24/25/18/477242518.db2.gz YULPHORQHHMRKL-ZDUSSCGKSA-N 1 0 325.434 2.997 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000423986124 477246758 /nfs/dbraw/zinc/24/67/58/477246758.db2.gz VSICQAXUFBFCKN-KRWDZBQOSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424007405 477258759 /nfs/dbraw/zinc/25/87/59/477258759.db2.gz GBFRBTRGSGHMQO-DLBZAZTESA-N 1 0 343.358 2.609 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424038122 477269822 /nfs/dbraw/zinc/26/98/22/477269822.db2.gz HXQRZZRTCNBHSQ-HNNXBMFYSA-N 1 0 335.379 2.584 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424050361 477274971 /nfs/dbraw/zinc/27/49/71/477274971.db2.gz CQENNHMNEKTNSP-AGIUHOORSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000424057749 477276591 /nfs/dbraw/zinc/27/65/91/477276591.db2.gz CPFZDSNANGUCJQ-WZRBSPASSA-N 1 0 339.823 2.623 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000424057744 477276881 /nfs/dbraw/zinc/27/68/81/477276881.db2.gz CPFZDSNANGUCJQ-NTZNESFSSA-N 1 0 339.823 2.623 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000458158058 477294795 /nfs/dbraw/zinc/29/47/95/477294795.db2.gz DHVBTPXZIPZFLQ-LBPRGKRZSA-N 1 0 331.372 2.803 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000458181807 477308022 /nfs/dbraw/zinc/30/80/22/477308022.db2.gz ZZHPWXSDNUOOJH-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO Cc1ncc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000433238798 477318372 /nfs/dbraw/zinc/31/83/72/477318372.db2.gz CFWYYJXZTIBXEN-HNNXBMFYSA-N 1 0 328.372 2.911 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458206238 477319515 /nfs/dbraw/zinc/31/95/15/477319515.db2.gz ITAOSKBCWQKFDQ-HNNXBMFYSA-N 1 0 333.432 2.982 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000367057466 477320372 /nfs/dbraw/zinc/32/03/72/477320372.db2.gz JUKVEHLETBBOMT-INIZCTEOSA-N 1 0 347.415 2.862 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)CSc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424226269 477335393 /nfs/dbraw/zinc/33/53/93/477335393.db2.gz RIYSGCHXVVEUBC-ZDUSSCGKSA-N 1 0 349.456 2.678 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411737418 477349340 /nfs/dbraw/zinc/34/93/40/477349340.db2.gz PPJFANZHPBJRGM-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448942791 477351657 /nfs/dbraw/zinc/35/16/57/477351657.db2.gz TZMAYXNRPHELRY-UHFFFAOYSA-N 1 0 345.321 2.781 20 5 EFBDRO O=C(CC[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000376484055 477357498 /nfs/dbraw/zinc/35/74/98/477357498.db2.gz KSXUXKWUJPRTJQ-UHFFFAOYSA-N 1 0 343.387 2.526 20 5 EFBDRO CO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000411785165 477366362 /nfs/dbraw/zinc/36/63/62/477366362.db2.gz BDKFQSXZIQMHHU-HOTGVXAUSA-N 1 0 347.415 2.813 20 5 EFBDRO CN(Cc1nc(C2([NH3+])CCCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000424343063 477376217 /nfs/dbraw/zinc/37/62/17/477376217.db2.gz JCANERRHOCYGMD-UHFFFAOYSA-N 1 0 331.376 2.732 20 5 EFBDRO Cc1cc(OCc2nc(C3([NH3+])CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424343664 477376504 /nfs/dbraw/zinc/37/65/04/477376504.db2.gz KCLSWYYTEAMBJF-UHFFFAOYSA-N 1 0 332.360 2.983 20 5 EFBDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376517740 477378302 /nfs/dbraw/zinc/37/83/02/477378302.db2.gz BNZPLCIEQBHFSU-IRXDYDNUSA-N 1 0 344.415 2.902 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000449003157 477381136 /nfs/dbraw/zinc/38/11/36/477381136.db2.gz OXPOVAYGVGTKHZ-ZDUSSCGKSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000376563914 477404975 /nfs/dbraw/zinc/40/49/75/477404975.db2.gz ZVZWCEZMTOIMJQ-IVXVGSNXSA-N 1 0 329.400 2.693 20 5 EFBDRO Cc1c(CNC(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000454855731 477405769 /nfs/dbraw/zinc/40/57/69/477405769.db2.gz NBXKEUOVLWLDHC-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000449071146 477422105 /nfs/dbraw/zinc/42/21/05/477422105.db2.gz AIVLCRYYFSQTOP-CQSZACIVSA-N 1 0 328.416 2.891 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)CC(F)(F)F ZINC000449082573 477429609 /nfs/dbraw/zinc/42/96/09/477429609.db2.gz OHCNCQLQIIBGDR-GFCCVEGCSA-N 1 0 333.354 3.000 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367285987 477432895 /nfs/dbraw/zinc/43/28/95/477432895.db2.gz HYLJTZMXBARWSZ-HNNXBMFYSA-N 1 0 331.416 2.966 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)CC1CCCC1 ZINC000449110842 477443288 /nfs/dbraw/zinc/44/32/88/477443288.db2.gz HBHAGEDPLRHVSC-AWEZNQCLSA-N 1 0 333.432 2.812 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458509313 477457762 /nfs/dbraw/zinc/45/77/62/477457762.db2.gz PDPTXTCSSZOVIR-GJZGRUSLSA-N 1 0 348.447 2.995 20 5 EFBDRO O=c1c([N+](=O)[O-])cccn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412989193 477464976 /nfs/dbraw/zinc/46/49/76/477464976.db2.gz FTPFZJSDWMLMGL-UHFFFAOYSA-N 1 0 327.384 2.791 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449181984 477473311 /nfs/dbraw/zinc/47/33/11/477473311.db2.gz AIFBGEUNRZJNLZ-ZIAGYGMSSA-N 1 0 349.456 2.778 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418572761 477478968 /nfs/dbraw/zinc/47/89/68/477478968.db2.gz SWZLULZGZGPNON-ZIAGYGMSSA-N 1 0 332.404 2.539 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413049793 477486683 /nfs/dbraw/zinc/48/66/83/477486683.db2.gz CLBHYPCAVXFANK-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000449208851 477487315 /nfs/dbraw/zinc/48/73/15/477487315.db2.gz PSMMSDOSAOHESA-KUHUBIRLSA-N 1 0 339.395 2.703 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCCCCC1 ZINC000449220720 477492226 /nfs/dbraw/zinc/49/22/26/477492226.db2.gz RAVJEJTXSXORMJ-OAHLLOKOSA-N 1 0 333.432 2.908 20 5 EFBDRO O=C(NCc1cnc2n1CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376769213 477494651 /nfs/dbraw/zinc/49/46/51/477494651.db2.gz QPLZFHMCEGBSBQ-UHFFFAOYSA-N 1 0 334.763 2.711 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000455092219 477495660 /nfs/dbraw/zinc/49/56/60/477495660.db2.gz JMFVRHBFSHYPOD-RDBSUJKOSA-N 1 0 334.420 2.780 20 5 EFBDRO COc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000455098441 477499486 /nfs/dbraw/zinc/49/94/86/477499486.db2.gz JBJQQZITTLMAQO-UHFFFAOYSA-N 1 0 338.408 2.845 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000449239537 477501703 /nfs/dbraw/zinc/50/17/03/477501703.db2.gz VTXVXAWNFZBHEW-OAHLLOKOSA-N 1 0 326.418 2.537 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000449270359 477516328 /nfs/dbraw/zinc/51/63/28/477516328.db2.gz QKDRNOMUBAXCBL-CYBMUJFWSA-N 1 0 343.431 2.816 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413136975 477539198 /nfs/dbraw/zinc/53/91/98/477539198.db2.gz HSZRXWRFAOEMSL-DOMZBBRYSA-N 1 0 340.399 2.678 20 5 EFBDRO Cc1c(CNC(=O)NC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000458685035 477545606 /nfs/dbraw/zinc/54/56/06/477545606.db2.gz GXBVWZFJRLMNOQ-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367501987 477547099 /nfs/dbraw/zinc/54/70/99/477547099.db2.gz DJDXFLXDDCIZQB-KRWDZBQOSA-N 1 0 332.448 2.508 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000449331077 477550297 /nfs/dbraw/zinc/55/02/97/477550297.db2.gz XCMVSLYFDNWAEN-RUGDWHBFSA-N 1 0 345.443 2.762 20 5 EFBDRO C[NH+](C)[C@@]1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000413168906 477551542 /nfs/dbraw/zinc/55/15/42/477551542.db2.gz KHIIJAQWDVYKID-MRXNPFEDSA-N 1 0 332.429 2.992 20 5 EFBDRO Nc1cc(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)[nH]n1 ZINC000413175184 477555114 /nfs/dbraw/zinc/55/51/14/477555114.db2.gz JKMOMLDBNMBONG-UHFFFAOYSA-N 1 0 338.371 2.663 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000449343754 477555610 /nfs/dbraw/zinc/55/56/10/477555610.db2.gz MUFFYKGOJOQTRP-SIUPPRGNSA-N 1 0 344.415 2.731 20 5 EFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449585450 477567651 /nfs/dbraw/zinc/56/76/51/477567651.db2.gz FDABNZFNCJEWQX-CHWSQXEVSA-N 1 0 342.399 2.672 20 5 EFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449585521 477567784 /nfs/dbraw/zinc/56/77/84/477567784.db2.gz FGKOQNXEEYPISD-CRWXNKLISA-N 1 0 348.447 2.543 20 5 EFBDRO CS[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000413204825 477568949 /nfs/dbraw/zinc/56/89/49/477568949.db2.gz JMSWARIGVRQNKP-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1nc(N2CCC[N@H+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000450269005 477585544 /nfs/dbraw/zinc/58/55/44/477585544.db2.gz GOPPBQXAIBEUSR-UHFFFAOYSA-N 1 0 333.436 2.786 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000413260483 477596337 /nfs/dbraw/zinc/59/63/37/477596337.db2.gz HSFLLIVOEJABQA-UHFFFAOYSA-N 1 0 331.351 2.600 20 5 EFBDRO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420213551 477639516 /nfs/dbraw/zinc/63/95/16/477639516.db2.gz UTADGPDOYUYOIV-AWEZNQCLSA-N 1 0 341.415 2.584 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420234982 477644806 /nfs/dbraw/zinc/64/48/06/477644806.db2.gz CFVQXBVRWVOIRT-OAHLLOKOSA-N 1 0 335.404 2.500 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458893655 477646091 /nfs/dbraw/zinc/64/60/91/477646091.db2.gz WRIMQEHROHLZRJ-XJKSGUPXSA-N 1 0 334.420 2.780 20 5 EFBDRO Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269239 477655449 /nfs/dbraw/zinc/65/54/49/477655449.db2.gz ZVSJNTAREAIBNU-WBMJQRKESA-N 1 0 341.415 2.924 20 5 EFBDRO Cc1cc(NC[C@@H]2C[NH2+]CCCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420271700 477657077 /nfs/dbraw/zinc/65/70/77/477657077.db2.gz KLGOYILWTNMAEA-JTQLQIEISA-N 1 0 333.310 2.712 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000420285946 477662850 /nfs/dbraw/zinc/66/28/50/477662850.db2.gz VYOXWTJJMVWBRN-HNNXBMFYSA-N 1 0 342.399 2.629 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155896 477666306 /nfs/dbraw/zinc/66/63/06/477666306.db2.gz HUODNRREKIPRTJ-RRFJBIMHSA-N 1 0 347.415 2.589 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372155897 477667311 /nfs/dbraw/zinc/66/73/11/477667311.db2.gz HUODNRREKIPRTJ-SOUVJXGZSA-N 1 0 347.415 2.589 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420292087 477668053 /nfs/dbraw/zinc/66/80/53/477668053.db2.gz WJKQSNJVPXWWMM-GXTWGEPZSA-N 1 0 334.420 2.662 20 5 EFBDRO CCOc1cccc(N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000425282031 477677328 /nfs/dbraw/zinc/67/73/28/477677328.db2.gz QTUNIEZKUVHOAK-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000413437671 477680094 /nfs/dbraw/zinc/68/00/94/477680094.db2.gz KLZBUFTVYZQCQZ-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455607040 477700811 /nfs/dbraw/zinc/70/08/11/477700811.db2.gz ILDOFWBUAOWXHZ-UHFFFAOYSA-N 1 0 334.420 2.611 20 5 EFBDRO C[C@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000426417592 477709605 /nfs/dbraw/zinc/70/96/05/477709605.db2.gz BQQROTGQCRUZKJ-GJZGRUSLSA-N 1 0 348.447 2.706 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000450802181 477722507 /nfs/dbraw/zinc/72/25/07/477722507.db2.gz YIMHPFLNACPYFK-SKDRFNHKSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CN)C1CCCCC1 ZINC000420380227 477734491 /nfs/dbraw/zinc/73/44/91/477734491.db2.gz YFQBHCPJKUIDMC-QGZVFWFLSA-N 1 0 348.447 2.729 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000420406378 477752057 /nfs/dbraw/zinc/75/20/57/477752057.db2.gz NUYPHNKTZJHZDE-SFHVURJKSA-N 1 0 327.384 2.620 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000426891042 477757331 /nfs/dbraw/zinc/75/73/31/477757331.db2.gz MYWVEUGJJQJFOS-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000426882475 477757452 /nfs/dbraw/zinc/75/74/52/477757452.db2.gz JPXYUZIHKPVIBO-UHFFFAOYSA-N 1 0 349.431 2.988 20 5 EFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437833677 477762963 /nfs/dbraw/zinc/76/29/63/477762963.db2.gz LUSZYBRFBGSYPI-CQSZACIVSA-N 1 0 346.431 2.704 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000427241530 477768517 /nfs/dbraw/zinc/76/85/17/477768517.db2.gz DEUVUVJNNOQNNG-UHFFFAOYSA-N 1 0 347.337 2.907 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413669322 477774176 /nfs/dbraw/zinc/77/41/76/477774176.db2.gz LOEONUSNHQZLRX-DOPJRALCSA-N 1 0 345.443 2.887 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000450951962 477774788 /nfs/dbraw/zinc/77/47/88/477774788.db2.gz GYNARQRCPSMONO-SNVBAGLBSA-N 1 0 343.225 2.671 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427881903 477783323 /nfs/dbraw/zinc/78/33/23/477783323.db2.gz KJAIQKKBFHBWRZ-TZMCWYRMSA-N 1 0 330.388 2.856 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000437984751 477784166 /nfs/dbraw/zinc/78/41/66/477784166.db2.gz KCPWOWHGLLFHAD-HIFRSBDPSA-N 1 0 346.431 2.752 20 5 EFBDRO CNc1nc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000455933908 477787741 /nfs/dbraw/zinc/78/77/41/477787741.db2.gz VZBNBXARIREGMN-UHFFFAOYSA-N 1 0 343.387 2.654 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000456202600 477816464 /nfs/dbraw/zinc/81/64/64/477816464.db2.gz NBRPTDRFRPXHKW-UHFFFAOYSA-N 1 0 332.404 2.926 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459295047 477824093 /nfs/dbraw/zinc/82/40/93/477824093.db2.gz ITVSYCVNKYJBNJ-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459295046 477824458 /nfs/dbraw/zinc/82/44/58/477824458.db2.gz ITVSYCVNKYJBNJ-HNNXBMFYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000493790331 477824642 /nfs/dbraw/zinc/82/46/42/477824642.db2.gz YEVLRYUBVPKANI-MXPWBENCSA-N 1 0 347.390 2.690 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000438336959 477828573 /nfs/dbraw/zinc/82/85/73/477828573.db2.gz CYXHEQLLIIVVRN-OAHLLOKOSA-N 1 0 349.475 2.995 20 5 EFBDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109688 477829451 /nfs/dbraw/zinc/82/94/51/477829451.db2.gz YFBKEJBWDGXYBG-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420939183 477840657 /nfs/dbraw/zinc/84/06/57/477840657.db2.gz LRBNGJWBKOGHNJ-JHJVBQTASA-N 1 0 346.387 2.656 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493821850 477843052 /nfs/dbraw/zinc/84/30/52/477843052.db2.gz MGRIYTCNNIIXTK-VURMDHGXSA-N 1 0 325.796 2.718 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558167982 477847719 /nfs/dbraw/zinc/84/77/19/477847719.db2.gz YIEVOMXJLUHDOD-VFVRVIDISA-N 1 0 330.432 2.937 20 5 EFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954936 477853031 /nfs/dbraw/zinc/85/30/31/477853031.db2.gz ZXOVRBUOJICXNG-CHWSQXEVSA-N 1 0 331.372 2.700 20 5 EFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000438559910 477864210 /nfs/dbraw/zinc/86/42/10/477864210.db2.gz COCYIUKHDAZTGE-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460900928 477868850 /nfs/dbraw/zinc/86/88/50/477868850.db2.gz CBJYKYVGXMTWCD-KRWDZBQOSA-N 1 0 333.432 2.908 20 5 EFBDRO CNc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515988876 477878327 /nfs/dbraw/zinc/87/83/27/477878327.db2.gz PULAWIINKKAXRZ-ACJLOTCBSA-N 1 0 348.447 2.877 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456362484 477887459 /nfs/dbraw/zinc/88/74/59/477887459.db2.gz WONYJXVQEQSMNS-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO O=C(CC[NH2+]CCOc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000558573404 477889863 /nfs/dbraw/zinc/88/98/63/477889863.db2.gz GZPVIPRFSKUMCM-UHFFFAOYSA-N 1 0 347.346 2.731 20 5 EFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000438830491 477889772 /nfs/dbraw/zinc/88/97/72/477889772.db2.gz HKMFRMPSAVPJEI-XUJLQICISA-N 1 0 338.452 2.689 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438903072 477902233 /nfs/dbraw/zinc/90/22/33/477902233.db2.gz PQWZGTJPVIHERJ-ZIAGYGMSSA-N 1 0 333.432 2.825 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000421019664 477909282 /nfs/dbraw/zinc/90/92/82/477909282.db2.gz PZCIACMRUQZCEO-GFCCVEGCSA-N 1 0 326.368 2.727 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421022288 477912569 /nfs/dbraw/zinc/91/25/69/477912569.db2.gz UNLWAKAKYOHGGP-OAHLLOKOSA-N 1 0 349.431 2.716 20 5 EFBDRO CO[C@@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462820568 477919593 /nfs/dbraw/zinc/91/95/93/477919593.db2.gz OKBLXGSYYMNFQK-PXAZEXFGSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000462769219 477919683 /nfs/dbraw/zinc/91/96/83/477919683.db2.gz XVIWXPLDFDOILP-KRWDZBQOSA-N 1 0 347.459 2.964 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000439142739 477935299 /nfs/dbraw/zinc/93/52/99/477935299.db2.gz WOAMDUDYEYTLPL-CYBMUJFWSA-N 1 0 329.404 2.946 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000532537447 477942780 /nfs/dbraw/zinc/94/27/80/477942780.db2.gz NUUXAUJPMYJKPS-UHFFFAOYSA-N 1 0 348.447 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)CC(F)F)o2)c1 ZINC000428645516 477948314 /nfs/dbraw/zinc/94/83/14/477948314.db2.gz CRNKNFNUHAETKU-NSHDSACASA-N 1 0 326.299 2.961 20 5 EFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000494242274 477951974 /nfs/dbraw/zinc/95/19/74/477951974.db2.gz RETNYDGTZBKQMA-SJCJKPOMSA-N 1 0 331.372 2.949 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456536816 477971364 /nfs/dbraw/zinc/97/13/64/477971364.db2.gz VLRZUCJZXOMKBR-CQSZACIVSA-N 1 0 333.432 2.815 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456549970 477978752 /nfs/dbraw/zinc/97/87/52/477978752.db2.gz KZFJYTYAZBNMJJ-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000428774393 477980003 /nfs/dbraw/zinc/98/00/03/477980003.db2.gz VTJODFSOSJRGKR-QGZVFWFLSA-N 1 0 346.408 2.973 20 5 EFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000428787091 477982008 /nfs/dbraw/zinc/98/20/08/477982008.db2.gz UFGVDLBSJXIQBG-IBGZPJMESA-N 1 0 340.379 2.912 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000439510609 477994215 /nfs/dbraw/zinc/99/42/15/477994215.db2.gz GZKIURKRTJNTKG-NILFDRSVSA-N 1 0 335.404 2.633 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494520422 478002440 /nfs/dbraw/zinc/00/24/40/478002440.db2.gz DUIVCIARQYRIBZ-APHBMKBZSA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418723 478005145 /nfs/dbraw/zinc/00/51/45/478005145.db2.gz MWDUEKDNFHNUOO-YYQUZTFQSA-N 1 0 347.415 2.547 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439617447 478007989 /nfs/dbraw/zinc/00/79/89/478007989.db2.gz YORLJMPAICDLOE-UAXWRAGISA-N 1 0 347.415 2.715 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000516921933 478012375 /nfs/dbraw/zinc/01/23/75/478012375.db2.gz XTTWTWPLTGORTC-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000451428278 478013212 /nfs/dbraw/zinc/01/32/12/478013212.db2.gz YBLPBLRKHZVSSS-XZJROXQQSA-N 1 0 326.343 2.998 20 5 EFBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000532980630 478015643 /nfs/dbraw/zinc/01/56/43/478015643.db2.gz QWLDXGSMHGXHIE-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000459629722 478017090 /nfs/dbraw/zinc/01/70/90/478017090.db2.gz HOSOGFBRHBJAJJ-DUVNUKRYSA-N 1 0 335.404 2.858 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000439697019 478017165 /nfs/dbraw/zinc/01/71/65/478017165.db2.gz RQKZQTOFKRAGDW-ZDUSSCGKSA-N 1 0 325.434 2.897 20 5 EFBDRO CC(C)(C)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517025482 478037939 /nfs/dbraw/zinc/03/79/39/478037939.db2.gz UWAFYNHZQICFNE-UHFFFAOYSA-N 1 0 328.434 2.784 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451477144 478038029 /nfs/dbraw/zinc/03/80/29/478038029.db2.gz HGIFYXQJBLEBJI-XYPHTWIQSA-N 1 0 347.415 2.635 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451480015 478039934 /nfs/dbraw/zinc/03/99/34/478039934.db2.gz NZFXERLCAIUDPG-DAXOMENPSA-N 1 0 347.415 2.859 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000439875319 478042268 /nfs/dbraw/zinc/04/22/68/478042268.db2.gz RZIXGNBBZOGOFL-VXGBXAGGSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429033321 478044785 /nfs/dbraw/zinc/04/47/85/478044785.db2.gz ZVHJHDWTNUBTRR-BFYDXBDKSA-N 1 0 333.432 2.636 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451491824 478047818 /nfs/dbraw/zinc/04/78/18/478047818.db2.gz CIEFOKRIYGYVKG-OAUYIBNBSA-N 1 0 349.431 2.881 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000451509926 478059886 /nfs/dbraw/zinc/05/98/86/478059886.db2.gz XIYSKXSDRADZER-CVEARBPZSA-N 1 0 344.415 2.802 20 5 EFBDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000451512922 478061215 /nfs/dbraw/zinc/06/12/15/478061215.db2.gz UVXHTJDVIFRLTQ-JKSUJKDBSA-N 1 0 330.388 2.627 20 5 EFBDRO CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451539335 478073891 /nfs/dbraw/zinc/07/38/91/478073891.db2.gz KARXKNFMDJRKSG-DVOMOZLQSA-N 1 0 335.404 2.669 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000421403772 478076367 /nfs/dbraw/zinc/07/63/67/478076367.db2.gz XSEUIQGBNKTKNT-ZDUSSCGKSA-N 1 0 338.404 2.597 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000429201674 478077587 /nfs/dbraw/zinc/07/75/87/478077587.db2.gz SGLSCDUCAWQHDP-CYBMUJFWSA-N 1 0 335.404 2.834 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000487840642 478077952 /nfs/dbraw/zinc/07/79/52/478077952.db2.gz OLLUBKMFDPLWNA-KBPBESRZSA-N 1 0 346.431 2.756 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000429204757 478079269 /nfs/dbraw/zinc/07/92/69/478079269.db2.gz AULUTPYWPDMKLV-AWEZNQCLSA-N 1 0 349.431 2.858 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000487861897 478079141 /nfs/dbraw/zinc/07/91/41/478079141.db2.gz TWUUKUANGVVRFQ-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459763436 478079905 /nfs/dbraw/zinc/07/99/05/478079905.db2.gz OBZDYZRFWOHNLM-HZPDHXFCSA-N 1 0 336.388 2.529 20 5 EFBDRO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451545522 478081444 /nfs/dbraw/zinc/08/14/44/478081444.db2.gz HPNZOTGLQFDKTR-NVXWUHKLSA-N 1 0 331.416 2.784 20 5 EFBDRO CCO[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451550039 478084792 /nfs/dbraw/zinc/08/47/92/478084792.db2.gz WJFBMAMWMKOZFG-BBRMVZONSA-N 1 0 338.404 2.729 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451550042 478084818 /nfs/dbraw/zinc/08/48/18/478084818.db2.gz WJFBMAMWMKOZFG-XJKSGUPXSA-N 1 0 338.404 2.729 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459789088 478092914 /nfs/dbraw/zinc/09/29/14/478092914.db2.gz RFONCBIURXMICO-KWCYVHTRSA-N 1 0 333.388 2.710 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459796381 478097123 /nfs/dbraw/zinc/09/71/23/478097123.db2.gz YMOSVCLUTPCVQJ-UZGDPCLZSA-N 1 0 333.388 2.709 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459796379 478097605 /nfs/dbraw/zinc/09/76/05/478097605.db2.gz YMOSVCLUTPCVQJ-MHDGFBEUSA-N 1 0 333.388 2.709 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000487987738 478101260 /nfs/dbraw/zinc/10/12/60/478101260.db2.gz KWEFRTPKMYFSEM-YOEHRIQHSA-N 1 0 348.447 2.502 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[C@H]1C ZINC000488039853 478109406 /nfs/dbraw/zinc/10/94/06/478109406.db2.gz CZSKESKSKIFBCU-DYVFJYSZSA-N 1 0 349.431 2.979 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)nc2c1 ZINC000429313902 478110793 /nfs/dbraw/zinc/11/07/93/478110793.db2.gz DPDMAJDEKFDQSJ-LLVKDONJSA-N 1 0 325.324 2.699 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000451593588 478113915 /nfs/dbraw/zinc/11/39/15/478113915.db2.gz CWKQBEOPNOWMRA-XJKSGUPXSA-N 1 0 326.343 2.760 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488073961 478114633 /nfs/dbraw/zinc/11/46/33/478114633.db2.gz MPMIISQCPQSQQU-KRWDZBQOSA-N 1 0 348.447 2.504 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C(C)C ZINC000429361204 478122127 /nfs/dbraw/zinc/12/21/27/478122127.db2.gz IVSBDAJVGXIUEP-HOCLYGCPSA-N 1 0 336.388 2.623 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000517802429 478125017 /nfs/dbraw/zinc/12/50/17/478125017.db2.gz XUVUMAQKSFRVHB-QGZVFWFLSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000429505310 478145299 /nfs/dbraw/zinc/14/52/99/478145299.db2.gz TZNXHSAYTZTSCK-CYBMUJFWSA-N 1 0 343.383 2.700 20 5 EFBDRO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229118 478147734 /nfs/dbraw/zinc/14/77/34/478147734.db2.gz NHFYZUSFWZPTRC-ZBEGNZNMSA-N 1 0 332.360 2.553 20 5 EFBDRO CC[C@]1(O)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000495233418 478148364 /nfs/dbraw/zinc/14/83/64/478148364.db2.gz VUTIARQFJCAMHR-KRWDZBQOSA-N 1 0 331.372 2.639 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000518363005 478162550 /nfs/dbraw/zinc/16/25/50/478162550.db2.gz YEHRIYFULQNIOD-RYUDHWBXSA-N 1 0 330.331 2.502 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000451699071 478165185 /nfs/dbraw/zinc/16/51/85/478165185.db2.gz TZZKMTRYUYPATC-YRGRVCCFSA-N 1 0 331.372 2.719 20 5 EFBDRO CC[N@H+](CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000488667572 478169293 /nfs/dbraw/zinc/16/92/93/478169293.db2.gz RDBHIUBWDWQQMV-UHFFFAOYSA-N 1 0 336.436 2.859 20 5 EFBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+](C2CCC2)C1 ZINC000488719749 478173863 /nfs/dbraw/zinc/17/38/63/478173863.db2.gz OUIQECNBRWOELE-ZDUSSCGKSA-N 1 0 341.415 2.849 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000518519560 478174151 /nfs/dbraw/zinc/17/41/51/478174151.db2.gz XOXHYVCSJWRJFZ-QGZVFWFLSA-N 1 0 334.803 2.984 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488722699 478174363 /nfs/dbraw/zinc/17/43/63/478174363.db2.gz VOWFNEJGBVSKMJ-IIYDPXPESA-N 1 0 331.416 2.964 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)C1 ZINC000488737463 478176896 /nfs/dbraw/zinc/17/68/96/478176896.db2.gz RZIDUKBJAWYZCN-WOSRLPQWSA-N 1 0 341.415 2.705 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000488738776 478178006 /nfs/dbraw/zinc/17/80/06/478178006.db2.gz UOSYLXFDXZHIBI-LOWVWBTDSA-N 1 0 347.444 2.766 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451726926 478179615 /nfs/dbraw/zinc/17/96/15/478179615.db2.gz WVZYLZRVCYVNPR-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451726426 478180083 /nfs/dbraw/zinc/18/00/83/478180083.db2.gz TZKLTDFIDFCEEO-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488763650 478181051 /nfs/dbraw/zinc/18/10/51/478181051.db2.gz JSXKSTKVZSRSFZ-DVOMOZLQSA-N 1 0 347.415 2.548 20 5 EFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518758321 478188542 /nfs/dbraw/zinc/18/85/42/478188542.db2.gz ZEWNZWYJJNERPF-ZBFHGGJFSA-N 1 0 330.384 2.728 20 5 EFBDRO Cc1cc(OCC(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000518952981 478200659 /nfs/dbraw/zinc/20/06/59/478200659.db2.gz GFZOKGNPGDJQGN-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519142020 478212158 /nfs/dbraw/zinc/21/21/58/478212158.db2.gz VLAQXEIQZKODTJ-XNRPHZJLSA-N 1 0 340.445 2.598 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451858038 478226204 /nfs/dbraw/zinc/22/62/04/478226204.db2.gz IDLWFQBGRBEFSJ-ZBFHGGJFSA-N 1 0 347.415 2.577 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495567057 478232151 /nfs/dbraw/zinc/23/21/51/478232151.db2.gz SKVTUXPVYSELOY-WCQYABFASA-N 1 0 339.367 2.690 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489401655 478241477 /nfs/dbraw/zinc/24/14/77/478241477.db2.gz LKMPWSBHVQFQPV-STQMWFEESA-N 1 0 334.420 2.612 20 5 EFBDRO Cc1cc(OCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000562400871 478243802 /nfs/dbraw/zinc/24/38/02/478243802.db2.gz BCSPHFIHSUTQIM-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)cc1 ZINC000562545299 478266257 /nfs/dbraw/zinc/26/62/57/478266257.db2.gz RVRRMOOHPGQACF-WMZOPIPTSA-N 1 0 334.416 2.970 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccccn1 ZINC000562592735 478275372 /nfs/dbraw/zinc/27/53/72/478275372.db2.gz VFRMHGUTZCBHLN-INIZCTEOSA-N 1 0 340.383 2.986 20 5 EFBDRO COCC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000590663626 478278920 /nfs/dbraw/zinc/27/89/20/478278920.db2.gz XQMYXTGZCFPLOL-UHFFFAOYSA-N 1 0 336.388 2.662 20 5 EFBDRO CC(C)c1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000600202234 478279163 /nfs/dbraw/zinc/27/91/63/478279163.db2.gz BHZXFIHXAUADNR-HDICACEKSA-N 1 0 336.432 2.531 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H](C3CC3)[C@@H]1C1CC1)OCCO2 ZINC000590660149 478280044 /nfs/dbraw/zinc/28/00/44/478280044.db2.gz FJIZSLIPFMSQFY-KDOFPFPSSA-N 1 0 330.384 2.986 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000537093195 478285559 /nfs/dbraw/zinc/28/55/59/478285559.db2.gz ATMYHTVRQUHQOW-XJKCOSOUSA-N 1 0 335.404 2.717 20 5 EFBDRO C[NH+](C)CCn1cc(Nc2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC000590687338 478289493 /nfs/dbraw/zinc/28/94/93/478289493.db2.gz RJBXCGMLONQWBM-UHFFFAOYSA-N 1 0 326.360 2.645 20 5 EFBDRO C[C@@H]1C[NH+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000520254382 478291012 /nfs/dbraw/zinc/29/10/12/478291012.db2.gz UKQOMCMFCFNTMC-ZIAGYGMSSA-N 1 0 330.388 2.568 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000520270485 478293525 /nfs/dbraw/zinc/29/35/25/478293525.db2.gz QMENYLIXEJMDJH-KRWDZBQOSA-N 1 0 349.431 2.600 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000590694411 478294985 /nfs/dbraw/zinc/29/49/85/478294985.db2.gz JMBBSFWHMKNZEM-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)nc2c1 ZINC000590758055 478322986 /nfs/dbraw/zinc/32/29/86/478322986.db2.gz BSWXLPFZROUYTQ-SUMWQHHRSA-N 1 0 331.372 2.623 20 5 EFBDRO Cn1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1=O ZINC000590757335 478323171 /nfs/dbraw/zinc/32/31/71/478323171.db2.gz UGOVWQSZEZAJGW-MRXNPFEDSA-N 1 0 327.384 2.673 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000600311279 478334588 /nfs/dbraw/zinc/33/45/88/478334588.db2.gz ASODEQMGXZQKLO-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000600311282 478334963 /nfs/dbraw/zinc/33/49/63/478334963.db2.gz ASODEQMGXZQKLO-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600315949 478335570 /nfs/dbraw/zinc/33/55/70/478335570.db2.gz XRYREXIKYNZOQE-OAHLLOKOSA-N 1 0 333.432 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000600315858 478336499 /nfs/dbraw/zinc/33/64/99/478336499.db2.gz WBJVEZNEXKICNC-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000594390182 478358129 /nfs/dbraw/zinc/35/81/29/478358129.db2.gz UCJWGSYRBZYYKJ-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000570505427 478375122 /nfs/dbraw/zinc/37/51/22/478375122.db2.gz DOWKEOSHQPAUET-RBSFLKMASA-N 1 0 333.432 2.935 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594419133 478375544 /nfs/dbraw/zinc/37/55/44/478375544.db2.gz NOIQGYXGYBBVQX-HIFRSBDPSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590883688 478383313 /nfs/dbraw/zinc/38/33/13/478383313.db2.gz XHGKBJREOGICJJ-CYBMUJFWSA-N 1 0 331.416 2.831 20 5 EFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570607679 478397318 /nfs/dbraw/zinc/39/73/18/478397318.db2.gz GOWCGEBOGZWVPH-KGLIPLIRSA-N 1 0 336.436 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)CCc3ccccc3)nc2c1 ZINC000563003273 478411343 /nfs/dbraw/zinc/41/13/43/478411343.db2.gz QFZFSLDFAKXICE-OAHLLOKOSA-N 1 0 340.383 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594501213 478414500 /nfs/dbraw/zinc/41/45/00/478414500.db2.gz WXUFAEXONFAQKT-IBGZPJMESA-N 1 0 347.459 2.760 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000594511898 478420112 /nfs/dbraw/zinc/42/01/12/478420112.db2.gz SBXQIJGRSLANPM-MRXNPFEDSA-N 1 0 325.368 2.946 20 5 EFBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000590971657 478423130 /nfs/dbraw/zinc/42/31/30/478423130.db2.gz CXQLCBZKAXISGE-LBPRGKRZSA-N 1 0 345.424 2.939 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594524857 478426664 /nfs/dbraw/zinc/42/66/64/478426664.db2.gz MCWHJAIWOFKHIK-LSDHHAIUSA-N 1 0 336.367 2.872 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597605704 478431141 /nfs/dbraw/zinc/43/11/41/478431141.db2.gz SBIHMZOIBDLODA-OLZOCXBDSA-N 1 0 337.395 2.780 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000594563156 478439518 /nfs/dbraw/zinc/43/95/18/478439518.db2.gz XXJANPOHVQNDNV-KBPBESRZSA-N 1 0 334.420 2.698 20 5 EFBDRO O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591062069 478446955 /nfs/dbraw/zinc/44/69/55/478446955.db2.gz ULKGLJOJYKFEID-HNNXBMFYSA-N 1 0 329.400 2.606 20 5 EFBDRO Cc1nc(NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000570806276 478451794 /nfs/dbraw/zinc/45/17/94/478451794.db2.gz GDATYOYVYUYBTJ-ZDUSSCGKSA-N 1 0 349.822 2.526 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000570826316 478456809 /nfs/dbraw/zinc/45/68/09/478456809.db2.gz ABRJXPOPBIVTRW-SKDZVZGDSA-N 1 0 346.427 2.739 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000581882195 478457721 /nfs/dbraw/zinc/45/77/21/478457721.db2.gz IOAVCTNMZUBNRK-RHSMWYFYSA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597696081 478468257 /nfs/dbraw/zinc/46/82/57/478468257.db2.gz BGCMLJNJYDPFHZ-NHYWBVRUSA-N 1 0 337.395 2.563 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597701928 478470551 /nfs/dbraw/zinc/47/05/51/478470551.db2.gz XMPVUUFRMXGSKO-BXUZGUMPSA-N 1 0 337.445 2.871 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597701931 478470790 /nfs/dbraw/zinc/47/07/90/478470790.db2.gz XMPVUUFRMXGSKO-SMDDNHRTSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710531 478474459 /nfs/dbraw/zinc/47/44/59/478474459.db2.gz OVCXEQSBELSNFK-SFHVURJKSA-N 1 0 331.416 2.770 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597711591 478474811 /nfs/dbraw/zinc/47/48/11/478474811.db2.gz VNUIWFBCMWTANU-KDOFPFPSSA-N 1 0 331.416 2.643 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597709932 478474970 /nfs/dbraw/zinc/47/49/70/478474970.db2.gz DCDNEZFJPNEAIK-SFHVURJKSA-N 1 0 347.415 2.551 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716734 478477347 /nfs/dbraw/zinc/47/73/47/478477347.db2.gz SWLZXXJVCSCTQP-LJQANCHMSA-N 1 0 345.443 2.817 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000597717052 478478086 /nfs/dbraw/zinc/47/80/86/478478086.db2.gz XNIWPMQPVUXRPA-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000540578307 478481752 /nfs/dbraw/zinc/48/17/52/478481752.db2.gz WNFXLISCTOBIMB-YOEHRIQHSA-N 1 0 336.388 2.815 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000600725358 478489235 /nfs/dbraw/zinc/48/92/35/478489235.db2.gz JDGPGDQHZMDGCR-PWSUYJOCSA-N 1 0 335.301 2.693 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729642 478491838 /nfs/dbraw/zinc/49/18/38/478491838.db2.gz ZAHSWSPBLPFHDS-AAEUAGOBSA-N 1 0 347.337 2.563 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3cccc(F)c3)CC2)cn1 ZINC000540901933 478505539 /nfs/dbraw/zinc/50/55/39/478505539.db2.gz CJJCCDCXHWLGLP-UHFFFAOYSA-N 1 0 344.390 2.884 20 5 EFBDRO C[NH2+]Cc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591281308 478507881 /nfs/dbraw/zinc/50/78/81/478507881.db2.gz JODWCAXEGUDNJG-UHFFFAOYSA-N 1 0 329.356 2.698 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000594716157 478509254 /nfs/dbraw/zinc/50/92/54/478509254.db2.gz KJMBTHTXGYSDTG-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594723468 478514559 /nfs/dbraw/zinc/51/45/59/478514559.db2.gz BMJPVEOIPUVOTA-ZDUSSCGKSA-N 1 0 340.445 2.993 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CC[NH2+]C2 ZINC000591310382 478516846 /nfs/dbraw/zinc/51/68/46/478516846.db2.gz IDHHWQDPKDREKW-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO COCc1csc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000594733295 478520328 /nfs/dbraw/zinc/52/03/28/478520328.db2.gz UTQXANPQWDVOID-UHFFFAOYSA-N 1 0 349.412 2.921 20 5 EFBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000594739261 478523848 /nfs/dbraw/zinc/52/38/48/478523848.db2.gz QYEVEGFGXAKJRJ-QZTJIDSGSA-N 1 0 329.375 2.969 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000541053125 478532133 /nfs/dbraw/zinc/53/21/33/478532133.db2.gz FCPLUSMPKDPJQG-MRXNPFEDSA-N 1 0 346.383 2.614 20 5 EFBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591360371 478535317 /nfs/dbraw/zinc/53/53/17/478535317.db2.gz OBPCOBLRLPIWTI-CVEARBPZSA-N 1 0 346.431 2.626 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358817 478535682 /nfs/dbraw/zinc/53/56/82/478535682.db2.gz ITHVJKCUCUXIOM-HNNXBMFYSA-N 1 0 334.420 2.657 20 5 EFBDRO Cc1cc(N2CCN(C(=O)C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541173206 478539535 /nfs/dbraw/zinc/53/95/35/478539535.db2.gz JHLAUFPXODBECM-UHFFFAOYSA-N 1 0 340.383 2.510 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000571198268 478541833 /nfs/dbraw/zinc/54/18/33/478541833.db2.gz IKGHZPSUAFJHPF-YPMHNXCESA-N 1 0 330.331 2.502 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000597856521 478542161 /nfs/dbraw/zinc/54/21/61/478542161.db2.gz YYDQFZWLXGTNGV-AWEZNQCLSA-N 1 0 348.447 2.633 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000597854863 478542515 /nfs/dbraw/zinc/54/25/15/478542515.db2.gz NSAUVEFFGKNKMC-GFCCVEGCSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597861384 478548666 /nfs/dbraw/zinc/54/86/66/478548666.db2.gz SWUJOKHXMNCZSD-AWEZNQCLSA-N 1 0 333.432 2.682 20 5 EFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000591437773 478551509 /nfs/dbraw/zinc/55/15/09/478551509.db2.gz KTVCSRWRHZJQGA-CMPLNLGQSA-N 1 0 340.221 2.854 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4CC[NH2+][C@H]4C3)n2)cc1 ZINC000591439416 478552391 /nfs/dbraw/zinc/55/23/91/478552391.db2.gz USYIPTFBWNZEBT-JSGCOSHPSA-N 1 0 330.413 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4CC[NH2+][C@@H]4C3)n2)cc1 ZINC000591439420 478552889 /nfs/dbraw/zinc/55/28/89/478552889.db2.gz USYIPTFBWNZEBT-TZMCWYRMSA-N 1 0 330.413 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000591441687 478553674 /nfs/dbraw/zinc/55/36/74/478553674.db2.gz FCHIVUFTMBOREH-QWHCGFSZSA-N 1 0 329.404 2.687 20 5 EFBDRO COC1([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000591481866 478567332 /nfs/dbraw/zinc/56/73/32/478567332.db2.gz CPNOFTCVAUREJL-CQSZACIVSA-N 1 0 338.404 2.537 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922559 478576340 /nfs/dbraw/zinc/57/63/40/478576340.db2.gz GDWSEBPOVNGARL-LBPRGKRZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597923132 478578025 /nfs/dbraw/zinc/57/80/25/478578025.db2.gz LULSPTDOBYBZAZ-GFCCVEGCSA-N 1 0 339.823 2.780 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000597923664 478578049 /nfs/dbraw/zinc/57/80/49/478578049.db2.gz NWBQEZOBVJVOMU-NSHDSACASA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597923692 478578366 /nfs/dbraw/zinc/57/83/66/478578366.db2.gz OLWTTXNTIKZXBD-LBPRGKRZSA-N 1 0 342.399 2.746 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926255 478580448 /nfs/dbraw/zinc/58/04/48/478580448.db2.gz WVZFIGGQCIXEFZ-CYBMUJFWSA-N 1 0 335.404 2.596 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491546613 478583760 /nfs/dbraw/zinc/58/37/60/478583760.db2.gz LZGAIQHARVRCQW-XMELGKRDSA-N 1 0 329.400 2.741 20 5 EFBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741822 478586049 /nfs/dbraw/zinc/58/60/49/478586049.db2.gz ZDBVJGRJEDURSJ-HOTGVXAUSA-N 1 0 340.445 2.783 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000591681210 478605371 /nfs/dbraw/zinc/60/53/71/478605371.db2.gz YJXWDOCIJZQGQB-UHFFFAOYSA-N 1 0 335.429 2.673 20 5 EFBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000591681336 478605380 /nfs/dbraw/zinc/60/53/80/478605380.db2.gz ILGZWNKFQQAZJA-UHFFFAOYSA-N 1 0 340.383 2.552 20 5 EFBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000594969489 478611185 /nfs/dbraw/zinc/61/11/85/478611185.db2.gz PXFANBQVJQHBLN-LLVKDONJSA-N 1 0 333.413 2.969 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1Cc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591729069 478614298 /nfs/dbraw/zinc/61/42/98/478614298.db2.gz GBLORJNWOVGNHD-CQSZACIVSA-N 1 0 325.368 2.853 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000582506366 478614688 /nfs/dbraw/zinc/61/46/88/478614688.db2.gz BOQKZGGCVWQSNB-HOTGVXAUSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000582506368 478615570 /nfs/dbraw/zinc/61/55/70/478615570.db2.gz BOQKZGGCVWQSNB-JKSUJKDBSA-N 1 0 333.432 2.716 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000591740791 478616830 /nfs/dbraw/zinc/61/68/30/478616830.db2.gz HTXLWMIIOLBGLC-CZUORRHYSA-N 1 0 346.408 2.771 20 5 EFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000591749200 478619979 /nfs/dbraw/zinc/61/99/79/478619979.db2.gz HKCAJKRLXABUJA-CYBMUJFWSA-N 1 0 328.372 2.712 20 5 EFBDRO C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759112 478621861 /nfs/dbraw/zinc/62/18/61/478621861.db2.gz GKQNQOTXMYVHRA-KGLIPLIRSA-N 1 0 335.404 2.718 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000591758755 478621973 /nfs/dbraw/zinc/62/19/73/478621973.db2.gz GBZOXLMCNHNPCY-INIZCTEOSA-N 1 0 334.803 2.984 20 5 EFBDRO COc1cccc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1C ZINC000594999192 478624413 /nfs/dbraw/zinc/62/44/13/478624413.db2.gz PQIBSZOTKNYWHL-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000591766174 478624717 /nfs/dbraw/zinc/62/47/17/478624717.db2.gz LIPRTVYCJLZIHB-AWEZNQCLSA-N 1 0 344.358 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000595003152 478626119 /nfs/dbraw/zinc/62/61/19/478626119.db2.gz FHEUHIIZXPMQOM-UKRRQHHQSA-N 1 0 338.404 2.840 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000591771337 478626592 /nfs/dbraw/zinc/62/65/92/478626592.db2.gz NYGDSUCFNZZJDY-ZMSDIMECSA-N 1 0 334.416 2.893 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000595007345 478627105 /nfs/dbraw/zinc/62/71/05/478627105.db2.gz HJVOKZCCQRWFON-MJBXVCDLSA-N 1 0 349.431 2.901 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000595017521 478629110 /nfs/dbraw/zinc/62/91/10/478629110.db2.gz WGXJANGATDKZNA-WDEREUQCSA-N 1 0 347.337 2.891 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000595014271 478630099 /nfs/dbraw/zinc/63/00/99/478630099.db2.gz WAOHSQUNAOXOMQ-LRDDRELGSA-N 1 0 339.461 2.691 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000595036594 478636799 /nfs/dbraw/zinc/63/67/99/478636799.db2.gz SMCGUIQBWJIGCZ-IUODEOHRSA-N 1 0 348.374 2.997 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039597 478637919 /nfs/dbraw/zinc/63/79/19/478637919.db2.gz TZDRUVWXRFTMHH-STQMWFEESA-N 1 0 337.420 2.806 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068835 478639918 /nfs/dbraw/zinc/63/99/18/478639918.db2.gz IWJYCHQXRPITNU-SFHVURJKSA-N 1 0 328.368 2.611 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1OC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068610 478640027 /nfs/dbraw/zinc/64/00/27/478640027.db2.gz IDPBSZNKHMUHHZ-SFHVURJKSA-N 1 0 346.358 2.750 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595057308 478643221 /nfs/dbraw/zinc/64/32/21/478643221.db2.gz WRDJMZKLDZLQBZ-UKRRQHHQSA-N 1 0 348.447 2.774 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571705423 478658971 /nfs/dbraw/zinc/65/89/71/478658971.db2.gz HWVLUWVJEHNKRV-GJZGRUSLSA-N 1 0 333.432 2.792 20 5 EFBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000601106125 478659514 /nfs/dbraw/zinc/65/95/14/478659514.db2.gz RXMFMXYOHGXDML-UHFFFAOYSA-N 1 0 326.400 2.851 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000582687083 478660320 /nfs/dbraw/zinc/66/03/20/478660320.db2.gz PUCNNCCGQMJSTI-UKRRQHHQSA-N 1 0 333.436 2.573 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000582687084 478660635 /nfs/dbraw/zinc/66/06/35/478660635.db2.gz PUCNNCCGQMJSTI-ZFWWWQNUSA-N 1 0 333.436 2.573 20 5 EFBDRO CS[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601134402 478678872 /nfs/dbraw/zinc/67/88/72/478678872.db2.gz BPAULNPHAVVQLV-HOTGVXAUSA-N 1 0 332.429 2.625 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[NH2+]CC1 ZINC000591902295 478685938 /nfs/dbraw/zinc/68/59/38/478685938.db2.gz IJJGYIUHUQQDMD-UHFFFAOYSA-N 1 0 335.429 2.675 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000601152368 478691235 /nfs/dbraw/zinc/69/12/35/478691235.db2.gz NZRPDIJPDLPULW-UHFFFAOYSA-N 1 0 344.440 2.833 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223187 478692687 /nfs/dbraw/zinc/69/26/87/478692687.db2.gz QPQRYDZPTZJIIE-QGZVFWFLSA-N 1 0 345.443 2.766 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223186 478692850 /nfs/dbraw/zinc/69/28/50/478692850.db2.gz QPQRYDZPTZJIIE-KRWDZBQOSA-N 1 0 345.443 2.766 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595222539 478693051 /nfs/dbraw/zinc/69/30/51/478693051.db2.gz MDDQEMOXJUIHHW-HNNXBMFYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595229091 478694280 /nfs/dbraw/zinc/69/42/80/478694280.db2.gz QMEOXEIHIDKUBO-KOLCDFICSA-N 1 0 343.836 2.536 20 5 EFBDRO C[NH+](C)CCCOc1cnccc1CNc1ccsc1[N+](=O)[O-] ZINC000601166487 478700808 /nfs/dbraw/zinc/70/08/08/478700808.db2.gz ORJNEAZURFJZPL-UHFFFAOYSA-N 1 0 336.417 2.994 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000591914920 478701204 /nfs/dbraw/zinc/70/12/04/478701204.db2.gz LNMKBSOCZIQERL-GXTWGEPZSA-N 1 0 335.404 2.595 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000591914922 478701744 /nfs/dbraw/zinc/70/17/44/478701744.db2.gz LNMKBSOCZIQERL-JSGCOSHPSA-N 1 0 335.404 2.595 20 5 EFBDRO Cc1c(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000595254721 478702669 /nfs/dbraw/zinc/70/26/69/478702669.db2.gz VNLDALCNJUSQSQ-MRXNPFEDSA-N 1 0 325.368 2.754 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000595269352 478708525 /nfs/dbraw/zinc/70/85/25/478708525.db2.gz PDQVXHCWKMZGDA-GDBMZVCRSA-N 1 0 343.358 2.609 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571926535 478709292 /nfs/dbraw/zinc/70/92/92/478709292.db2.gz UUGBFDDEGZXYLR-RHSMWYFYSA-N 1 0 331.416 2.993 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000591926909 478710809 /nfs/dbraw/zinc/71/08/09/478710809.db2.gz WUVWKYWFDCYLSN-OCCSQVGLSA-N 1 0 347.415 2.738 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220948 478711472 /nfs/dbraw/zinc/71/14/72/478711472.db2.gz SAYZLHGRVUPOSM-GFCCVEGCSA-N 1 0 349.435 2.578 20 5 EFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220028 478711862 /nfs/dbraw/zinc/71/18/62/478711862.db2.gz NRISIBNIVIWCEY-CQSZACIVSA-N 1 0 346.431 2.530 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598222085 478712703 /nfs/dbraw/zinc/71/27/03/478712703.db2.gz ZYQWJWHJJGUUIK-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221846 478712963 /nfs/dbraw/zinc/71/29/63/478712963.db2.gz XPVFOZCZKFLILF-HNNXBMFYSA-N 1 0 349.406 2.800 20 5 EFBDRO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221506 478713662 /nfs/dbraw/zinc/71/36/62/478713662.db2.gz WICDVIDCOUYLTQ-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO Cc1noc(CN2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595293879 478717068 /nfs/dbraw/zinc/71/70/68/478717068.db2.gz TYZVWROTVIWHEO-UHFFFAOYSA-N 1 0 336.436 2.979 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875227 478718919 /nfs/dbraw/zinc/71/89/19/478718919.db2.gz XQQUMJNDNHJWIX-QXMHVHEDSA-N 1 0 339.395 2.986 20 5 EFBDRO Cc1noc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000595299216 478721788 /nfs/dbraw/zinc/72/17/88/478721788.db2.gz XADJBVSVEDXMMT-OAHLLOKOSA-N 1 0 336.436 2.835 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000598261550 478730112 /nfs/dbraw/zinc/73/01/12/478730112.db2.gz GZYXQENHRWZWAC-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598262003 478730346 /nfs/dbraw/zinc/73/03/46/478730346.db2.gz WUUUPUMLJYHYTP-HUUCEWRRSA-N 1 0 333.432 2.935 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598260216 478730623 /nfs/dbraw/zinc/73/06/23/478730623.db2.gz IQYKVZLQTNSQQT-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598266534 478733413 /nfs/dbraw/zinc/73/34/13/478733413.db2.gz ZBXSPYIEBBCDDC-OAHLLOKOSA-N 1 0 348.447 2.633 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000491917356 478737627 /nfs/dbraw/zinc/73/76/27/478737627.db2.gz YLPNQGATELWGND-KTTMOXOYSA-N 1 0 349.406 2.936 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601295535 478771489 /nfs/dbraw/zinc/77/14/89/478771489.db2.gz WZEYSVHHJHAVDC-GXFFZTMASA-N 1 0 343.309 2.949 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601295648 478771878 /nfs/dbraw/zinc/77/18/78/478771878.db2.gz ZEKHCRXWXWHIPC-JOYOIKCWSA-N 1 0 329.282 2.641 20 5 EFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000572195136 478773580 /nfs/dbraw/zinc/77/35/80/478773580.db2.gz MKQNDWDYMZYOCC-CYBMUJFWSA-N 1 0 334.420 2.583 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598341446 478775768 /nfs/dbraw/zinc/77/57/68/478775768.db2.gz BODFIBRNBZRHIT-CVEARBPZSA-N 1 0 333.432 2.764 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342479 478776579 /nfs/dbraw/zinc/77/65/79/478776579.db2.gz IZRZJEFIDMEYJX-STQMWFEESA-N 1 0 337.445 2.676 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492006981 478777826 /nfs/dbraw/zinc/77/78/26/478777826.db2.gz HFGMBEFPRYSRRW-VQHVLOKHSA-N 1 0 337.395 2.937 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598343167 478777808 /nfs/dbraw/zinc/77/78/08/478777808.db2.gz TWRSLWPDHPZJFA-LBPRGKRZSA-N 1 0 337.395 2.612 20 5 EFBDRO CC[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000595437374 478782336 /nfs/dbraw/zinc/78/23/36/478782336.db2.gz GDOIPIZXFNVJEA-INIZCTEOSA-N 1 0 344.415 2.988 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000583184665 478783173 /nfs/dbraw/zinc/78/31/73/478783173.db2.gz DOTRPXIUBICWDB-JTQLQIEISA-N 1 0 345.321 2.685 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3c(F)cccc3F)CC2)n1 ZINC000592116381 478783263 /nfs/dbraw/zinc/78/32/63/478783263.db2.gz LJAJPJLKNIXIIJ-UHFFFAOYSA-N 1 0 336.342 2.949 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595453076 478792548 /nfs/dbraw/zinc/79/25/48/478792548.db2.gz ORGXTLNWLXEOPF-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000583238311 478797817 /nfs/dbraw/zinc/79/78/17/478797817.db2.gz QEMPWFJUANWTTE-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595474900 478806411 /nfs/dbraw/zinc/80/64/11/478806411.db2.gz HXTNFEUAANYWPH-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595476817 478807910 /nfs/dbraw/zinc/80/79/10/478807910.db2.gz QFSWXMKZYCWSCR-INIZCTEOSA-N 1 0 346.431 2.516 20 5 EFBDRO C[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000492074496 478812364 /nfs/dbraw/zinc/81/23/64/478812364.db2.gz UOGFLRKPIHSDAN-UPZNUWHASA-N 1 0 337.395 2.840 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595484597 478814950 /nfs/dbraw/zinc/81/49/50/478814950.db2.gz MJLBLRISGISUOF-BFYDXBDKSA-N 1 0 331.416 2.516 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492082489 478815725 /nfs/dbraw/zinc/81/57/25/478815725.db2.gz IUHAADLDTUPJCT-LOWQCSRCSA-N 1 0 335.379 2.690 20 5 EFBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595493555 478818364 /nfs/dbraw/zinc/81/83/64/478818364.db2.gz SHQGAQJULHJKNV-PMPSAXMXSA-N 1 0 343.383 2.896 20 5 EFBDRO Cc1noc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595498467 478820604 /nfs/dbraw/zinc/82/06/04/478820604.db2.gz TWUAERRMRAXSOB-STQMWFEESA-N 1 0 333.388 2.878 20 5 EFBDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826510 478823126 /nfs/dbraw/zinc/82/31/26/478823126.db2.gz QQBXNIYQCJBKKY-KDOFPFPSSA-N 1 0 329.400 2.522 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592214302 478828540 /nfs/dbraw/zinc/82/85/40/478828540.db2.gz IQJLDUZACVHAOA-BDAKNGLRSA-N 1 0 348.325 2.539 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592214311 478828653 /nfs/dbraw/zinc/82/86/53/478828653.db2.gz IQJLDUZACVHAOA-DTWKUNHWSA-N 1 0 348.325 2.539 20 5 EFBDRO NC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000595532651 478836540 /nfs/dbraw/zinc/83/65/40/478836540.db2.gz DYRKRPKFFDAGQT-UHFFFAOYSA-N 1 0 347.390 2.504 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255182 478842139 /nfs/dbraw/zinc/84/21/39/478842139.db2.gz OFVMQYUBFBPIGJ-IRXDYDNUSA-N 1 0 345.443 2.766 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255183 478842240 /nfs/dbraw/zinc/84/22/40/478842240.db2.gz OFVMQYUBFBPIGJ-SJORKVTESA-N 1 0 345.443 2.766 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592253200 478842379 /nfs/dbraw/zinc/84/23/79/478842379.db2.gz ATXWNKFSNPOETH-CABCVRRESA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254575 478842503 /nfs/dbraw/zinc/84/25/03/478842503.db2.gz HKZLINDRMCQTJP-OLZOCXBDSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592253201 478842594 /nfs/dbraw/zinc/84/25/94/478842594.db2.gz ATXWNKFSNPOETH-GJZGRUSLSA-N 1 0 331.416 2.755 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254574 478842696 /nfs/dbraw/zinc/84/26/96/478842696.db2.gz HKZLINDRMCQTJP-CHWSQXEVSA-N 1 0 335.379 2.586 20 5 EFBDRO [NH3+]Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000592285033 478853488 /nfs/dbraw/zinc/85/34/88/478853488.db2.gz VBLAHTCWEKGCIL-UHFFFAOYSA-N 1 0 340.383 2.906 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000583451029 478857132 /nfs/dbraw/zinc/85/71/32/478857132.db2.gz IOAMIMOPOHDECO-HNNXBMFYSA-N 1 0 348.447 2.945 20 5 EFBDRO CC[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592331358 478860861 /nfs/dbraw/zinc/86/08/61/478860861.db2.gz IWQUCNSMFQOXGZ-YWPYICTPSA-N 1 0 337.445 2.661 20 5 EFBDRO CC1([NH3+])CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000592331119 478861102 /nfs/dbraw/zinc/86/11/02/478861102.db2.gz IPDQTBYYRDVJTI-UHFFFAOYSA-N 1 0 346.412 2.672 20 5 EFBDRO CC1([NH3+])CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592329211 478861216 /nfs/dbraw/zinc/86/12/16/478861216.db2.gz QEYPLPWVUYZLQY-UHFFFAOYSA-N 1 0 331.294 2.567 20 5 EFBDRO CCOc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595568487 478861249 /nfs/dbraw/zinc/86/12/49/478861249.db2.gz VPCGJTGMYHALSG-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564926578 478862208 /nfs/dbraw/zinc/86/22/08/478862208.db2.gz KPAAQVBKSGPYDS-UHFFFAOYSA-N 1 0 343.836 2.920 20 5 EFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592333338 478862293 /nfs/dbraw/zinc/86/22/93/478862293.db2.gz XZVUZWOFTPRIGW-BXKDBHETSA-N 1 0 345.321 2.813 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000492186491 478865656 /nfs/dbraw/zinc/86/56/56/478865656.db2.gz CBTVTYXTKPORQU-UKTHLTGXSA-N 1 0 331.372 2.573 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1N1CCCC1 ZINC000592357914 478866621 /nfs/dbraw/zinc/86/66/21/478866621.db2.gz UUTLEQNAQRCYGY-LBPRGKRZSA-N 1 0 329.360 2.670 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595588423 478872113 /nfs/dbraw/zinc/87/21/13/478872113.db2.gz QKBHZPWXAGZKCQ-CQSZACIVSA-N 1 0 334.420 2.575 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(CO)cc1 ZINC000592392953 478882631 /nfs/dbraw/zinc/88/26/31/478882631.db2.gz KYXOMPXTYZEBGB-CYBMUJFWSA-N 1 0 343.383 2.594 20 5 EFBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598558094 478893463 /nfs/dbraw/zinc/89/34/63/478893463.db2.gz CLURZIHQQXVDFF-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560449 478894862 /nfs/dbraw/zinc/89/48/62/478894862.db2.gz MAKFNLUCGKMRIR-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000598559862 478894892 /nfs/dbraw/zinc/89/48/92/478894892.db2.gz IYFKMEBPCHEZQQ-INIZCTEOSA-N 1 0 345.443 2.684 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000545201455 478897487 /nfs/dbraw/zinc/89/74/87/478897487.db2.gz BQNDMOUJIPNAES-GDBMZVCRSA-N 1 0 333.432 2.622 20 5 EFBDRO CS[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000492262590 478899007 /nfs/dbraw/zinc/89/90/07/478899007.db2.gz XMAQMIDWXOPWSW-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])CN1 ZINC000492294609 478916015 /nfs/dbraw/zinc/91/60/15/478916015.db2.gz NYQTUWYEBSPGAY-FZMZJTMJSA-N 1 0 337.807 2.739 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492323383 478931176 /nfs/dbraw/zinc/93/11/76/478931176.db2.gz YSCUNMAJYRDPAA-XQRVVYSFSA-N 1 0 347.390 2.834 20 5 EFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000572869909 478940842 /nfs/dbraw/zinc/94/08/42/478940842.db2.gz WXHYULHVCVITDZ-UHFFFAOYSA-N 1 0 331.294 2.567 20 5 EFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570701 478944240 /nfs/dbraw/zinc/94/42/40/478944240.db2.gz PBWXNHLKLIVNMU-MRXNPFEDSA-N 1 0 346.431 2.578 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592568919 478944379 /nfs/dbraw/zinc/94/43/79/478944379.db2.gz QOPPKLRZFRYRPL-AWEZNQCLSA-N 1 0 344.415 2.574 20 5 EFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592568183 478944909 /nfs/dbraw/zinc/94/49/09/478944909.db2.gz AQXODKAGNGQYJJ-VHSXEESVSA-N 1 0 334.401 2.574 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601675206 478944970 /nfs/dbraw/zinc/94/49/70/478944970.db2.gz LIUJMAWEXIQJPQ-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000598664982 478953447 /nfs/dbraw/zinc/95/34/47/478953447.db2.gz IWVUVKYMBDMTFD-OAHLLOKOSA-N 1 0 348.447 2.601 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000598665392 478954081 /nfs/dbraw/zinc/95/40/81/478954081.db2.gz UTGMJBDFJWHSIO-INIZCTEOSA-N 1 0 333.432 2.814 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000598664981 478954244 /nfs/dbraw/zinc/95/42/44/478954244.db2.gz IWVUVKYMBDMTFD-HNNXBMFYSA-N 1 0 348.447 2.601 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000598668290 478956074 /nfs/dbraw/zinc/95/60/74/478956074.db2.gz SDHVVJOKVLSFSQ-IINYFYTJSA-N 1 0 343.305 2.567 20 5 EFBDRO CC(C)Oc1nc(N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000565230513 478958731 /nfs/dbraw/zinc/95/87/31/478958731.db2.gz SSZWYPMBEUBLJN-CYBMUJFWSA-N 1 0 336.436 2.944 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000601702753 478961126 /nfs/dbraw/zinc/96/11/26/478961126.db2.gz CTHVJNDMQWADQO-UKRRQHHQSA-N 1 0 343.383 2.686 20 5 EFBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573040296 478977303 /nfs/dbraw/zinc/97/73/03/478977303.db2.gz ZKAOCJQYZXSSOX-UKRRQHHQSA-N 1 0 348.374 2.694 20 5 EFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000595754152 478977833 /nfs/dbraw/zinc/97/78/33/478977833.db2.gz VNNXYTWPZNGCBF-CQSZACIVSA-N 1 0 334.351 2.776 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCSC[C@@H]1C1CC1 ZINC000583976157 478982010 /nfs/dbraw/zinc/98/20/10/478982010.db2.gz UPVYOYAQTDMMKA-CQSZACIVSA-N 1 0 335.429 2.669 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511918333 478985828 /nfs/dbraw/zinc/98/58/28/478985828.db2.gz CZLKOBNHBBDJEI-KRWDZBQOSA-N 1 0 348.447 2.653 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492435554 478986780 /nfs/dbraw/zinc/98/67/80/478986780.db2.gz FQENBLPTOFRREP-WOLRVDTOSA-N 1 0 335.379 2.595 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000565357922 478987516 /nfs/dbraw/zinc/98/75/16/478987516.db2.gz CQDZLMSTEXBLHH-UHFFFAOYSA-N 1 0 344.209 2.605 20 5 EFBDRO CSc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000573107060 478993609 /nfs/dbraw/zinc/99/36/09/478993609.db2.gz PTCLUUVNFRZIMX-NWDGAFQWSA-N 1 0 335.429 2.625 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595787409 478998122 /nfs/dbraw/zinc/99/81/22/478998122.db2.gz OXWBYHIAOPOMKG-OAHLLOKOSA-N 1 0 348.447 2.857 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000584099456 479013928 /nfs/dbraw/zinc/01/39/28/479013928.db2.gz DLRSONRRXBCUPU-OAHLLOKOSA-N 1 0 347.415 2.692 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000514601091 479031029 /nfs/dbraw/zinc/03/10/29/479031029.db2.gz ZIRNZHZNUNUZBO-GOEBONIOSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)CO ZINC000595875109 479044933 /nfs/dbraw/zinc/04/49/33/479044933.db2.gz PLZXCXRRFUIHFI-PXAZEXFGSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000592795051 479047059 /nfs/dbraw/zinc/04/70/59/479047059.db2.gz QULWZTQASYDUGF-NOZJJQNGSA-N 1 0 345.321 2.570 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000546649715 479048614 /nfs/dbraw/zinc/04/86/14/479048614.db2.gz CALGTBDKVMZHCJ-JSGCOSHPSA-N 1 0 335.404 2.859 20 5 EFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000573365314 479050273 /nfs/dbraw/zinc/05/02/73/479050273.db2.gz UMNJHUBBWGYNFG-ZDUSSCGKSA-N 1 0 333.388 2.567 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000493559564 479055895 /nfs/dbraw/zinc/05/58/95/479055895.db2.gz SDLNRPDNAGPQOU-GBXSZLQWSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592828033 479063562 /nfs/dbraw/zinc/06/35/62/479063562.db2.gz ADLILAVYQJGXPD-GXTWGEPZSA-N 1 0 337.395 2.780 20 5 EFBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](C)C1 ZINC000592830926 479064415 /nfs/dbraw/zinc/06/44/15/479064415.db2.gz IGBPJMWFQUTEHS-CQSZACIVSA-N 1 0 331.372 2.897 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584241701 479065904 /nfs/dbraw/zinc/06/59/04/479065904.db2.gz SAAQCAIUWLHXDC-SOLBZPMBSA-N 1 0 345.443 2.859 20 5 EFBDRO CN(CC(C)(C)[NH3+])C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595945069 479080372 /nfs/dbraw/zinc/08/03/72/479080372.db2.gz NOAMLJFPPIRCHT-UHFFFAOYSA-N 1 0 334.401 2.528 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595942371 479080531 /nfs/dbraw/zinc/08/05/31/479080531.db2.gz WHRXIOPEYAOTDN-QMTHXVAHSA-N 1 0 345.321 2.622 20 5 EFBDRO CC1CCN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000595949111 479080741 /nfs/dbraw/zinc/08/07/41/479080741.db2.gz XINZIZGOVOSEMS-UHFFFAOYSA-N 1 0 348.447 2.640 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000493615057 479083180 /nfs/dbraw/zinc/08/31/80/479083180.db2.gz FMQDNRDNWRBYMW-CGQZWFTASA-N 1 0 329.400 2.741 20 5 EFBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000598914121 479083256 /nfs/dbraw/zinc/08/32/56/479083256.db2.gz ZDZVXXCRXJXXPH-UWVGGRQHSA-N 1 0 326.784 2.697 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000598913988 479083427 /nfs/dbraw/zinc/08/34/27/479083427.db2.gz UCILUAYYECWTTQ-UFGOTCBOSA-N 1 0 338.795 2.839 20 5 EFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000598913592 479083469 /nfs/dbraw/zinc/08/34/69/479083469.db2.gz NFNLCGUJKQPJOT-SNVBAGLBSA-N 1 0 345.334 2.589 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000598913864 479083664 /nfs/dbraw/zinc/08/36/64/479083664.db2.gz QHFBBIOQIFOBFI-GARJFASQSA-N 1 0 338.795 2.758 20 5 EFBDRO C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000598915508 479084725 /nfs/dbraw/zinc/08/47/25/479084725.db2.gz NHEQUNLJBHUAEJ-CQSZACIVSA-N 1 0 326.784 2.759 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598915788 479085070 /nfs/dbraw/zinc/08/50/70/479085070.db2.gz OXGBKHWDJYEXII-JTQLQIEISA-N 1 0 326.784 2.712 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000584325680 479091244 /nfs/dbraw/zinc/09/12/44/479091244.db2.gz OIXMMKDYMOHHRU-HUUCEWRRSA-N 1 0 333.432 2.889 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000493635956 479093242 /nfs/dbraw/zinc/09/32/42/479093242.db2.gz XGANYNLFNBHGDP-KOJMWDNASA-N 1 0 329.400 2.741 20 5 EFBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000493649680 479097733 /nfs/dbraw/zinc/09/77/33/479097733.db2.gz BUECKCRAFGXKHM-DHZHZOJOSA-N 1 0 331.416 2.941 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000596060816 479114070 /nfs/dbraw/zinc/11/40/70/479114070.db2.gz JYHUNVHYDKYMKI-UHFFFAOYSA-N 1 0 343.383 2.746 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598989020 479116177 /nfs/dbraw/zinc/11/61/77/479116177.db2.gz XZOFQNAUICYLGO-ZRFDWSJLSA-N 1 0 325.359 2.927 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493690989 479116216 /nfs/dbraw/zinc/11/62/16/479116216.db2.gz MBFDNZBWTVNQTM-SCXUMTSISA-N 1 0 335.379 2.547 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)CC(C)C ZINC000596068947 479118877 /nfs/dbraw/zinc/11/88/77/479118877.db2.gz BKBUHUFHIRODME-AWEZNQCLSA-N 1 0 336.436 2.862 20 5 EFBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC000596070426 479119801 /nfs/dbraw/zinc/11/98/01/479119801.db2.gz BYSCPVJWFVDLQR-UHFFFAOYSA-N 1 0 334.420 2.760 20 5 EFBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000596075724 479123623 /nfs/dbraw/zinc/12/36/23/479123623.db2.gz PDEJKEMJVHGGQE-GFCCVEGCSA-N 1 0 328.372 2.554 20 5 EFBDRO C[N@H+](CCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000515137454 479124624 /nfs/dbraw/zinc/12/46/24/479124624.db2.gz BSXIXFIJROIUDY-UHFFFAOYSA-N 1 0 331.376 2.530 20 5 EFBDRO O=c1[nH]ccc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000596079002 479125025 /nfs/dbraw/zinc/12/50/25/479125025.db2.gz YWSNWTBJSFLNDT-UHFFFAOYSA-N 1 0 328.372 2.903 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596081082 479126450 /nfs/dbraw/zinc/12/64/50/479126450.db2.gz CWIYSCLDSVZEJU-UMVBOHGHSA-N 1 0 346.431 2.535 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493720653 479131079 /nfs/dbraw/zinc/13/10/79/479131079.db2.gz IPVLBEMJTOOQGT-VGVVRCBHSA-N 1 0 335.379 2.595 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000593027962 479131857 /nfs/dbraw/zinc/13/18/57/479131857.db2.gz HKNQPTMBXOHRAC-OLZOCXBDSA-N 1 0 337.395 2.656 20 5 EFBDRO CC1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000596092665 479133627 /nfs/dbraw/zinc/13/36/27/479133627.db2.gz CIVOQEVDIMKVDC-GYMHETDLSA-N 1 0 336.436 2.806 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)C1CC[NH+](C)CC1 ZINC000599042258 479135482 /nfs/dbraw/zinc/13/54/82/479135482.db2.gz AGUWOHRADXQAAB-GFCCVEGCSA-N 1 0 344.415 2.716 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596099606 479138606 /nfs/dbraw/zinc/13/86/06/479138606.db2.gz UEDUVFPQMLRHHQ-AWEZNQCLSA-N 1 0 334.420 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c(F)c1 ZINC000602016853 479139981 /nfs/dbraw/zinc/13/99/81/479139981.db2.gz IFIQZDSFGCNDNT-UHFFFAOYSA-N 1 0 332.257 2.739 20 5 EFBDRO C[C@@H](C(=O)Nc1nc2c(s1)CN(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000573780968 479141134 /nfs/dbraw/zinc/14/11/34/479141134.db2.gz JKKWFDKDBUTOKR-SNVBAGLBSA-N 1 0 346.412 2.781 20 5 EFBDRO CCn1nncc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599061202 479144377 /nfs/dbraw/zinc/14/43/77/479144377.db2.gz LLLZXTOVQHEYHG-BBRMVZONSA-N 1 0 329.404 2.707 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066075 479145673 /nfs/dbraw/zinc/14/56/73/479145673.db2.gz ONMLWCILKBSXNV-AAEUAGOBSA-N 1 0 343.374 2.984 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066078 479145871 /nfs/dbraw/zinc/14/58/71/479145871.db2.gz ONMLWCILKBSXNV-YPMHNXCESA-N 1 0 343.374 2.984 20 5 EFBDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593055595 479146986 /nfs/dbraw/zinc/14/69/86/479146986.db2.gz MRIOWMXXRLBEEQ-CQSZACIVSA-N 1 0 335.404 2.813 20 5 EFBDRO C[NH+](C)C/C=C\C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000493759961 479149161 /nfs/dbraw/zinc/14/91/61/479149161.db2.gz RYABGMHBVHYHMB-IRBQFCFKSA-N 1 0 349.284 2.571 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059360 479150597 /nfs/dbraw/zinc/15/05/97/479150597.db2.gz PLSVZEPRJLDCHU-KBPBESRZSA-N 1 0 335.404 2.813 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)CO1 ZINC000593063698 479152707 /nfs/dbraw/zinc/15/27/07/479152707.db2.gz VBRJDXRWHBBMPC-ZFWWWQNUSA-N 1 0 335.404 2.731 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000593070791 479155971 /nfs/dbraw/zinc/15/59/71/479155971.db2.gz QHKUNJRBCMAAQE-MRXNPFEDSA-N 1 0 349.406 2.753 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000596130561 479156732 /nfs/dbraw/zinc/15/67/32/479156732.db2.gz RQFUOZFBJLFGRE-AWEZNQCLSA-N 1 0 349.431 2.825 20 5 EFBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000599098690 479160876 /nfs/dbraw/zinc/16/08/76/479160876.db2.gz XZBTZDOGYWDKKH-UHFFFAOYSA-N 1 0 345.241 2.673 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H](C)CO)CC1 ZINC000593082347 479162713 /nfs/dbraw/zinc/16/27/13/479162713.db2.gz HBJKSBOQETWXBQ-CQSZACIVSA-N 1 0 349.431 2.572 20 5 EFBDRO CCc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599104788 479162735 /nfs/dbraw/zinc/16/27/35/479162735.db2.gz NXPADZITJCVVGE-BETUJISGSA-N 1 0 341.415 2.801 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000593081847 479162939 /nfs/dbraw/zinc/16/29/39/479162939.db2.gz NTKPUQNXIOZGIU-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596152037 479166832 /nfs/dbraw/zinc/16/68/32/479166832.db2.gz UYBLLUXZGQCAFO-UHFFFAOYSA-N 1 0 342.390 2.970 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596153312 479167138 /nfs/dbraw/zinc/16/71/38/479167138.db2.gz TYRHLUCDTMINDA-ZDUSSCGKSA-N 1 0 327.450 2.902 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000584532135 479168410 /nfs/dbraw/zinc/16/84/10/479168410.db2.gz ZVCCZWFEGRZFEP-CYBMUJFWSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596163373 479172474 /nfs/dbraw/zinc/17/24/74/479172474.db2.gz SNMGZPJCDOCIAU-GXTWGEPZSA-N 1 0 328.372 2.770 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602105876 479178643 /nfs/dbraw/zinc/17/86/43/479178643.db2.gz AFDNFARTQQJSOA-AWEZNQCLSA-N 1 0 335.429 2.511 20 5 EFBDRO O=c1[nH]ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596174096 479179944 /nfs/dbraw/zinc/17/99/44/479179944.db2.gz ARZHXBDQVWAGCO-UHFFFAOYSA-N 1 0 334.420 2.788 20 5 EFBDRO CN(CC[NH+]1CCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593111786 479180839 /nfs/dbraw/zinc/18/08/39/479180839.db2.gz APDMMYJSYDHDLU-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO CN(CC[NH+]1CCCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593112215 479180891 /nfs/dbraw/zinc/18/08/91/479180891.db2.gz MXQDAQSJPOTDRY-UHFFFAOYSA-N 1 0 345.403 2.563 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000610765520 479181309 /nfs/dbraw/zinc/18/13/09/479181309.db2.gz DDIRFERRBHSCDJ-GOSISDBHSA-N 1 0 327.384 2.823 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610769822 479182882 /nfs/dbraw/zinc/18/28/82/479182882.db2.gz KTGIHIVHLJOZRJ-NSHDSACASA-N 1 0 343.225 2.719 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000602997156 479186315 /nfs/dbraw/zinc/18/63/15/479186315.db2.gz DMFRTZPUZAENIS-IKGGRYGDSA-N 1 0 348.399 2.587 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596187238 479187198 /nfs/dbraw/zinc/18/71/98/479187198.db2.gz XEKRZRQBHQDLMU-CYBMUJFWSA-N 1 0 342.399 2.626 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189907 479188320 /nfs/dbraw/zinc/18/83/20/479188320.db2.gz NDJLCWKPZPPVBD-QWHCGFSZSA-N 1 0 346.431 2.759 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN1CCCCC1 ZINC000610799005 479192009 /nfs/dbraw/zinc/19/20/09/479192009.db2.gz KKBBYZHAKXJNSH-CABCVRRESA-N 1 0 348.447 2.776 20 5 EFBDRO CCOc1cc(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593129627 479194445 /nfs/dbraw/zinc/19/44/45/479194445.db2.gz DYOMAQZBSDXVQI-LSDHHAIUSA-N 1 0 348.399 2.625 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000610815107 479195855 /nfs/dbraw/zinc/19/58/55/479195855.db2.gz SEOAYAVTPUXWJL-YOEHRIQHSA-N 1 0 334.416 2.559 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000610815105 479197098 /nfs/dbraw/zinc/19/70/98/479197098.db2.gz SEOAYAVTPUXWJL-RHSMWYFYSA-N 1 0 334.416 2.559 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584664291 479200364 /nfs/dbraw/zinc/20/03/64/479200364.db2.gz BLVQBFNHOBWQBW-PHIMTYICSA-N 1 0 325.796 2.803 20 5 EFBDRO NC(=O)c1cccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000584665424 479201087 /nfs/dbraw/zinc/20/10/87/479201087.db2.gz LZOHENOSGGACDH-INIZCTEOSA-N 1 0 325.368 2.513 20 5 EFBDRO O=c1[nH]ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596222038 479209032 /nfs/dbraw/zinc/20/90/32/479209032.db2.gz IRLPUAIEQYNYEA-CQSZACIVSA-N 1 0 328.372 2.629 20 5 EFBDRO Cc1c(Br)c(N2CC[C@@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000596244352 479221254 /nfs/dbraw/zinc/22/12/54/479221254.db2.gz PHJLNJCRYIGGRX-NXEZZACHSA-N 1 0 343.225 2.590 20 5 EFBDRO Cc1c(Br)c(N2CC[C@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596244355 479221819 /nfs/dbraw/zinc/22/18/19/479221819.db2.gz PHJLNJCRYIGGRX-UWVGGRQHSA-N 1 0 343.225 2.590 20 5 EFBDRO CNc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000603052253 479221970 /nfs/dbraw/zinc/22/19/70/479221970.db2.gz PRFOMYCJACQIPT-UHFFFAOYSA-N 1 0 334.420 2.581 20 5 EFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000596247579 479222895 /nfs/dbraw/zinc/22/28/95/479222895.db2.gz RDEQGXLHDZNHTE-UHFFFAOYSA-N 1 0 342.399 2.567 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593186885 479228709 /nfs/dbraw/zinc/22/87/09/479228709.db2.gz AJSCCIVIEHPIBQ-AGIUHOORSA-N 1 0 335.404 2.547 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000593186934 479229041 /nfs/dbraw/zinc/22/90/41/479229041.db2.gz BKIJGONLOBTGRH-WOPDTQHZSA-N 1 0 337.445 2.870 20 5 EFBDRO CSc1cccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000593189295 479229843 /nfs/dbraw/zinc/22/98/43/479229843.db2.gz KKEPZFLNYYVFLK-WOPDTQHZSA-N 1 0 337.445 2.870 20 5 EFBDRO CSc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188120 479229874 /nfs/dbraw/zinc/22/98/74/479229874.db2.gz VTRSTJSOBGFGBC-GRYCIOLGSA-N 1 0 337.445 2.870 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000596280319 479236922 /nfs/dbraw/zinc/23/69/22/479236922.db2.gz CBXJJXZKOUYSSJ-NSHDSACASA-N 1 0 336.417 2.629 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335730 479258282 /nfs/dbraw/zinc/25/82/82/479258282.db2.gz HREDFWHTDXYAIA-ZDUSSCGKSA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000585090420 479278691 /nfs/dbraw/zinc/27/86/91/479278691.db2.gz LUZLHCKTXNGPAX-SOUVJXGZSA-N 1 0 341.415 2.873 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000574397584 479279296 /nfs/dbraw/zinc/27/92/96/479279296.db2.gz VISSPDDMSGHNFF-YOEHRIQHSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000574397583 479279546 /nfs/dbraw/zinc/27/95/46/479279546.db2.gz VISSPDDMSGHNFF-WMLDXEAASA-N 1 0 347.415 2.733 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nccn1C ZINC000585099407 479283165 /nfs/dbraw/zinc/28/31/65/479283165.db2.gz FFJHRVWFYFQWIO-SSDOTTSWSA-N 1 0 326.154 2.659 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cn1 ZINC000585117555 479291875 /nfs/dbraw/zinc/29/18/75/479291875.db2.gz LFVPTGOXHDNDMO-RDJZCZTQSA-N 1 0 346.431 2.506 20 5 EFBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342593 479303825 /nfs/dbraw/zinc/30/38/25/479303825.db2.gz UGBDBUXSOIONHA-QGZVFWFLSA-N 1 0 329.356 2.582 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000596460966 479305508 /nfs/dbraw/zinc/30/55/08/479305508.db2.gz BYAOMBDIXNQGIM-QGZVFWFLSA-N 1 0 326.400 2.743 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000596463162 479306240 /nfs/dbraw/zinc/30/62/40/479306240.db2.gz VZBOCTYEQYFMBI-AWEZNQCLSA-N 1 0 332.429 2.805 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000596466908 479306728 /nfs/dbraw/zinc/30/67/28/479306728.db2.gz LHPAALAVSINWPH-QGZVFWFLSA-N 1 0 326.400 2.743 20 5 EFBDRO NC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596478515 479311379 /nfs/dbraw/zinc/31/13/79/479311379.db2.gz OQWUWWQTDMYJSB-ZDUSSCGKSA-N 1 0 332.404 2.513 20 5 EFBDRO C[NH2+]C(C)(C)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231482 479313451 /nfs/dbraw/zinc/31/34/51/479313451.db2.gz QELMSXUWDLHZPA-UHFFFAOYSA-N 1 0 343.309 2.708 20 5 EFBDRO Cc1cc(N2CCC[C@@H]2[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596488286 479314862 /nfs/dbraw/zinc/31/48/62/479314862.db2.gz MYXYKUJUHYXRTR-IUODEOHRSA-N 1 0 328.372 2.710 20 5 EFBDRO Cc1c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000585718321 479315724 /nfs/dbraw/zinc/31/57/24/479315724.db2.gz CKORFFGVTRVEDT-KRWDZBQOSA-N 1 0 333.432 2.590 20 5 EFBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718790 479316066 /nfs/dbraw/zinc/31/60/66/479316066.db2.gz YEVRJYFVIRVFOH-LJQANCHMSA-N 1 0 342.395 2.748 20 5 EFBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603246678 479319598 /nfs/dbraw/zinc/31/95/98/479319598.db2.gz FSDWVBZFRBWKSV-CYBMUJFWSA-N 1 0 325.319 2.559 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1O ZINC000574633132 479320200 /nfs/dbraw/zinc/32/02/00/479320200.db2.gz DAKKRUYMCYVVAU-ZIAGYGMSSA-N 1 0 346.387 2.779 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593396547 479324897 /nfs/dbraw/zinc/32/48/97/479324897.db2.gz ASBGVENNYLRQBP-UHFFFAOYSA-N 1 0 345.374 2.654 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272753 479331843 /nfs/dbraw/zinc/33/18/43/479331843.db2.gz QTMFIGRAZYSOMO-LLVKDONJSA-N 1 0 326.418 2.939 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)OCCO2 ZINC000611272184 479332334 /nfs/dbraw/zinc/33/23/34/479332334.db2.gz CYWQPPBSEVRPMG-UHFFFAOYSA-N 1 0 348.399 2.759 20 5 EFBDRO C[C@@H]1COCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611272478 479332355 /nfs/dbraw/zinc/33/23/55/479332355.db2.gz WUQUUSPGVPOMOC-CYBMUJFWSA-N 1 0 330.388 2.606 20 5 EFBDRO COC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000602441310 479332377 /nfs/dbraw/zinc/33/23/77/479332377.db2.gz XBZJURARPNHIBH-UHFFFAOYSA-N 1 0 333.344 2.780 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccco3)C1)OCCO2 ZINC000611271370 479332542 /nfs/dbraw/zinc/33/25/42/479332542.db2.gz ZGVWZOUTKHERRP-GFCCVEGCSA-N 1 0 330.340 2.949 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419317 479333082 /nfs/dbraw/zinc/33/30/82/479333082.db2.gz FKLZBYLQFUZMGS-QWHCGFSZSA-N 1 0 337.395 2.513 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611273782 479333957 /nfs/dbraw/zinc/33/39/57/479333957.db2.gz QYYWFGILDZKSHQ-ZFWWWQNUSA-N 1 0 349.431 2.671 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(C)COC1 ZINC000599571940 479337150 /nfs/dbraw/zinc/33/71/50/479337150.db2.gz XSEWESFIMWZACD-SNVBAGLBSA-N 1 0 341.795 2.544 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc2sccn21 ZINC000596569951 479343016 /nfs/dbraw/zinc/34/30/16/479343016.db2.gz DPQGWWVWZNGYLA-GFCCVEGCSA-N 1 0 335.433 2.838 20 5 EFBDRO CC(C)Oc1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570455 479343052 /nfs/dbraw/zinc/34/30/52/479343052.db2.gz LKYUAUMROOVXIC-HNNXBMFYSA-N 1 0 348.447 2.733 20 5 EFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000611303428 479344046 /nfs/dbraw/zinc/34/40/46/479344046.db2.gz LQJIHDRJQCJXQI-ZBFHGGJFSA-N 1 0 334.416 2.847 20 5 EFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000599603031 479348834 /nfs/dbraw/zinc/34/88/34/479348834.db2.gz CWUJZVRDMHGVNP-SKDRFNHKSA-N 1 0 346.309 2.586 20 5 EFBDRO CCC1(O)CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000611327767 479349410 /nfs/dbraw/zinc/34/94/10/479349410.db2.gz SVWPVNRNURWHTE-VNSJNIRKSA-N 1 0 349.431 2.985 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nncn1CC ZINC000611336050 479350257 /nfs/dbraw/zinc/35/02/57/479350257.db2.gz YKTVVVLEDVYLAJ-CYBMUJFWSA-N 1 0 349.460 2.909 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000611335745 479350601 /nfs/dbraw/zinc/35/06/01/479350601.db2.gz YRHIVTGAPGIMIK-LBPRGKRZSA-N 1 0 335.404 2.703 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CCCCC1 ZINC000611336569 479350717 /nfs/dbraw/zinc/35/07/17/479350717.db2.gz RHTRPHRWXJJUPA-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(F)(F)C[C@H]1C ZINC000599622453 479356171 /nfs/dbraw/zinc/35/61/71/479356171.db2.gz IOQQOVJVGFJMRU-LLVKDONJSA-N 1 0 327.331 2.961 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602475251 479356230 /nfs/dbraw/zinc/35/62/30/479356230.db2.gz RPWHIXLCVHJSDM-GXFFZTMASA-N 1 0 329.322 2.797 20 5 EFBDRO C[C@H]1CC(F)(F)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599624236 479357165 /nfs/dbraw/zinc/35/71/65/479357165.db2.gz UNKQXXPGUDGYGM-NSHDSACASA-N 1 0 339.342 2.604 20 5 EFBDRO CCOCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000599626726 479358689 /nfs/dbraw/zinc/35/86/89/479358689.db2.gz ZDGANQAJXWYUIG-SFHVURJKSA-N 1 0 344.415 2.817 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CCc3nnc(N4CCCC4)cc3C2)c1 ZINC000596620143 479361151 /nfs/dbraw/zinc/36/11/51/479361151.db2.gz ZGVSXHXXIUSCAN-UHFFFAOYSA-N 1 0 339.399 2.543 20 5 EFBDRO C[C@@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611383426 479363157 /nfs/dbraw/zinc/36/31/57/479363157.db2.gz KHIWOZKOOAOOIQ-DNVCBOLYSA-N 1 0 343.427 2.738 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000593503429 479368668 /nfs/dbraw/zinc/36/86/68/479368668.db2.gz KBXGLPCYFSFKCR-MRXNPFEDSA-N 1 0 326.400 2.661 20 5 EFBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000593505994 479369512 /nfs/dbraw/zinc/36/95/12/479369512.db2.gz ZULBSUQLPAAOON-INIZCTEOSA-N 1 0 326.400 2.661 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccnc1 ZINC000602502056 479370629 /nfs/dbraw/zinc/37/06/29/479370629.db2.gz KMZZAWTZKLNCJC-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccn1 ZINC000602501238 479370891 /nfs/dbraw/zinc/37/08/91/479370891.db2.gz BWNXCCDPZZFXAI-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO Cc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC000603400900 479371276 /nfs/dbraw/zinc/37/12/76/479371276.db2.gz NMBNVKSBLRQRSY-UHFFFAOYSA-N 1 0 329.404 2.652 20 5 EFBDRO O=[N+]([O-])c1ccsc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611412954 479371785 /nfs/dbraw/zinc/37/17/85/479371785.db2.gz SBVGFCOGZVIXMQ-UHFFFAOYSA-N 1 0 325.434 2.738 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000611413146 479372266 /nfs/dbraw/zinc/37/22/66/479372266.db2.gz UNUXTDMONQDAJC-MRXNPFEDSA-N 1 0 333.413 2.705 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602508256 479373517 /nfs/dbraw/zinc/37/35/17/479373517.db2.gz LPYAEOCSICVYSI-SNVBAGLBSA-N 1 0 328.294 2.988 20 5 EFBDRO Cc1cc(C)n(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602506619 479373817 /nfs/dbraw/zinc/37/38/17/479373817.db2.gz FFMDOAMHKAIHFL-UHFFFAOYSA-N 1 0 329.360 2.729 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000587970211 479377594 /nfs/dbraw/zinc/37/75/94/479377594.db2.gz NISLHTXXTGIDLW-SNVBAGLBSA-N 1 0 334.203 2.668 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611431692 479377830 /nfs/dbraw/zinc/37/78/30/479377830.db2.gz CLFYFDNMYITYKG-YVEFUNNKSA-N 1 0 347.371 2.948 20 5 EFBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587975168 479378156 /nfs/dbraw/zinc/37/81/56/479378156.db2.gz JKGXISZMIONYOT-JTQLQIEISA-N 1 0 333.219 2.559 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCOC2)cc1Br ZINC000602518458 479378707 /nfs/dbraw/zinc/37/87/07/479378707.db2.gz NPGOOTWRSCZVIQ-QMMMGPOBSA-N 1 0 335.223 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000602519411 479379353 /nfs/dbraw/zinc/37/93/53/479379353.db2.gz DVOHOXAAHQJFDP-ZDUSSCGKSA-N 1 0 331.338 2.611 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603415899 479379445 /nfs/dbraw/zinc/37/94/45/479379445.db2.gz NVNYGXFCLNCOFS-HOTGVXAUSA-N 1 0 341.415 2.583 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000574971491 479380953 /nfs/dbraw/zinc/38/09/53/479380953.db2.gz XMNOGOAMMGPYRA-LSDHHAIUSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602524511 479381072 /nfs/dbraw/zinc/38/10/72/479381072.db2.gz KVJHZCMUFBHBGP-QWHCGFSZSA-N 1 0 332.404 2.946 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602524510 479381692 /nfs/dbraw/zinc/38/16/92/479381692.db2.gz KVJHZCMUFBHBGP-OLZOCXBDSA-N 1 0 332.404 2.946 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2CCOCC2)cc1Br ZINC000602529732 479383059 /nfs/dbraw/zinc/38/30/59/479383059.db2.gz QWGLAVSIYUXTTR-UHFFFAOYSA-N 1 0 335.223 2.935 20 5 EFBDRO CC[N@H+](CCNCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602528251 479383351 /nfs/dbraw/zinc/38/33/51/479383351.db2.gz QUJJITAMEZDQBH-UHFFFAOYSA-N 1 0 348.266 2.993 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602531757 479384407 /nfs/dbraw/zinc/38/44/07/479384407.db2.gz JGLTZKDTSOBJTK-LBPRGKRZSA-N 1 0 343.305 2.628 20 5 EFBDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602533910 479386518 /nfs/dbraw/zinc/38/65/18/479386518.db2.gz ZKUWWOZRRCUOSE-MRVPVSSYSA-N 1 0 334.239 2.603 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC000611472528 479388077 /nfs/dbraw/zinc/38/80/77/479388077.db2.gz BTLWKPATHUEPDH-CYBMUJFWSA-N 1 0 335.433 2.737 20 5 EFBDRO COC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000599682508 479388338 /nfs/dbraw/zinc/38/83/38/479388338.db2.gz KVRNIQQDJAQTJH-KDOFPFPSSA-N 1 0 344.415 2.816 20 5 EFBDRO COC[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000599683262 479388636 /nfs/dbraw/zinc/38/86/36/479388636.db2.gz PTEIKXWCQRFFEO-WMLDXEAASA-N 1 0 344.415 2.816 20 5 EFBDRO COC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000599683260 479388729 /nfs/dbraw/zinc/38/87/29/479388729.db2.gz PTEIKXWCQRFFEO-PBHICJAKSA-N 1 0 344.415 2.816 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541492 479389112 /nfs/dbraw/zinc/38/91/12/479389112.db2.gz PNGOVZMWKHCKNA-GWCFXTLKSA-N 1 0 345.321 2.503 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCSCC3)CC2)cn1 ZINC000602544670 479389820 /nfs/dbraw/zinc/38/98/20/479389820.db2.gz JJWFDVGIUSHIIX-UHFFFAOYSA-N 1 0 336.461 2.691 20 5 EFBDRO Cc1nccn1CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552393 479393821 /nfs/dbraw/zinc/39/38/21/479393821.db2.gz VGIVRLCZXJOJNI-UHFFFAOYSA-N 1 0 329.360 2.811 20 5 EFBDRO CSC[C@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555140 479395159 /nfs/dbraw/zinc/39/51/59/479395159.db2.gz COPJFYHRYYMLHY-NSHDSACASA-N 1 0 338.351 2.817 20 5 EFBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602559893 479396377 /nfs/dbraw/zinc/39/63/77/479396377.db2.gz JGFCLFUMRGRDDD-GOEBONIOSA-N 1 0 333.432 2.954 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611515108 479401787 /nfs/dbraw/zinc/40/17/87/479401787.db2.gz XZDMVDDDFZZFAY-WBVHZDCISA-N 1 0 333.432 2.761 20 5 EFBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569271 479401960 /nfs/dbraw/zinc/40/19/60/479401960.db2.gz OQKNLSLGCYRIDN-CLTRCRFRSA-N 1 0 338.351 2.860 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000602577443 479405908 /nfs/dbraw/zinc/40/59/08/479405908.db2.gz SZHXNXGOXOSVIL-AWEZNQCLSA-N 1 0 330.363 2.540 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(C)C ZINC000602583211 479410197 /nfs/dbraw/zinc/41/01/97/479410197.db2.gz UVYRKSRTYNTFCM-OAUYIBNBSA-N 1 0 348.447 2.608 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000593643304 479411245 /nfs/dbraw/zinc/41/12/45/479411245.db2.gz ULWDEZRWVILWPZ-UHFFFAOYSA-N 1 0 338.411 2.801 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554811 479413162 /nfs/dbraw/zinc/41/31/62/479413162.db2.gz XRMIMTZPEWEQJI-XZVRFQMRSA-N 1 0 339.395 2.934 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)C3)c21 ZINC000611564974 479416934 /nfs/dbraw/zinc/41/69/34/479416934.db2.gz BLJKXNGOIBIFDN-CYBMUJFWSA-N 1 0 327.388 2.603 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)(C)O1 ZINC000602603182 479419273 /nfs/dbraw/zinc/41/92/73/479419273.db2.gz MNQLQILLHDMSSZ-HNNXBMFYSA-N 1 0 348.447 2.894 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1OC ZINC000602614784 479424747 /nfs/dbraw/zinc/42/47/47/479424747.db2.gz DCUQGTULEFNMJH-IACUBPJLSA-N 1 0 348.321 2.896 20 5 EFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602617211 479425551 /nfs/dbraw/zinc/42/55/51/479425551.db2.gz BKVNMXGAIRAQNF-YAJNLLPGSA-N 1 0 335.223 2.836 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593707626 479430806 /nfs/dbraw/zinc/43/08/06/479430806.db2.gz NITLQOIDNYGBPL-ZDUSSCGKSA-N 1 0 334.420 2.653 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593718276 479432693 /nfs/dbraw/zinc/43/26/93/479432693.db2.gz DCGKFCFKBHCLIN-GUYCJALGSA-N 1 0 331.416 2.820 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593719662 479433564 /nfs/dbraw/zinc/43/35/64/479433564.db2.gz GSCZZVFGYLSROF-UHFFFAOYSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CC[NH3+] ZINC000593733365 479437445 /nfs/dbraw/zinc/43/74/45/479437445.db2.gz LWSDGMRJMXOKNJ-WFASDCNBSA-N 1 0 345.403 2.594 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCN1CC=CCC1 ZINC000602639738 479443068 /nfs/dbraw/zinc/44/30/68/479443068.db2.gz ZEFKMKANKGDFLN-UHFFFAOYSA-N 1 0 329.322 2.965 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588821395 479444512 /nfs/dbraw/zinc/44/45/12/479444512.db2.gz FQEMCDJAXZLYKD-ZDUSSCGKSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000575450161 479446690 /nfs/dbraw/zinc/44/66/90/479446690.db2.gz STTRBHDZDZATLN-GUYCJALGSA-N 1 0 348.374 2.867 20 5 EFBDRO C[NH+](C)CC1(NCc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602649554 479447895 /nfs/dbraw/zinc/44/78/95/479447895.db2.gz WDSWJSRLYVQUNO-UHFFFAOYSA-N 1 0 348.266 2.993 20 5 EFBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000611701878 479450336 /nfs/dbraw/zinc/45/03/36/479450336.db2.gz RJZBLAWAOYHCGT-QWHCGFSZSA-N 1 0 329.404 2.635 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704753 479450540 /nfs/dbraw/zinc/45/05/40/479450540.db2.gz BKLDKLWLKBIIGJ-CYBMUJFWSA-N 1 0 329.404 2.706 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000611706374 479451599 /nfs/dbraw/zinc/45/15/99/479451599.db2.gz JIVGLXQNEUFTTK-CQSZACIVSA-N 1 0 327.388 2.603 20 5 EFBDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653460 479451690 /nfs/dbraw/zinc/45/16/90/479451690.db2.gz IEIHRDXVFAPVAY-QMMMGPOBSA-N 1 0 337.239 2.773 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611710548 479453601 /nfs/dbraw/zinc/45/36/01/479453601.db2.gz CJCQGJHTAGTRHN-CQSZACIVSA-N 1 0 343.431 2.740 20 5 EFBDRO CCOC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000602658638 479455214 /nfs/dbraw/zinc/45/52/14/479455214.db2.gz MOVPDXCUSSCWQZ-UHFFFAOYSA-N 1 0 331.372 2.774 20 5 EFBDRO COc1cccc(OC)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000602659721 479455561 /nfs/dbraw/zinc/45/55/61/479455561.db2.gz RHYWLQJXKLKXPM-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1(O)CCOCC1 ZINC000602660451 479455796 /nfs/dbraw/zinc/45/57/96/479455796.db2.gz CWCQFNSTFIJCPE-UHFFFAOYSA-N 1 0 348.321 2.635 20 5 EFBDRO CC[N@H+](CCCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000593788043 479460344 /nfs/dbraw/zinc/46/03/44/479460344.db2.gz WYRZOMBRSFPTCI-UHFFFAOYSA-N 1 0 348.447 2.952 20 5 EFBDRO CCOC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602673904 479467103 /nfs/dbraw/zinc/46/71/03/479467103.db2.gz DERBXGMXQTYKIA-UHFFFAOYSA-N 1 0 348.447 2.898 20 5 EFBDRO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602675950 479469263 /nfs/dbraw/zinc/46/92/63/479469263.db2.gz XMZSDTIJSASCIU-CZUORRHYSA-N 1 0 336.436 2.609 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596879487 479470283 /nfs/dbraw/zinc/47/02/83/479470283.db2.gz BJGMLEJHMYDMDM-HNNXBMFYSA-N 1 0 346.431 2.753 20 5 EFBDRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000602686523 479475688 /nfs/dbraw/zinc/47/56/88/479475688.db2.gz WSFJJXHYECYAIX-CYBMUJFWSA-N 1 0 345.355 2.749 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2(CO)CC2)cc1Br ZINC000602685099 479475752 /nfs/dbraw/zinc/47/57/52/479475752.db2.gz YGMFEMSJGBTGQF-UHFFFAOYSA-N 1 0 335.223 2.671 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602688695 479477389 /nfs/dbraw/zinc/47/73/89/479477389.db2.gz XVMDZXZHLXXKFU-HOTGVXAUSA-N 1 0 346.431 2.506 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000589108246 479479316 /nfs/dbraw/zinc/47/93/16/479479316.db2.gz SQYBKHIGIQOGHI-UHFFFAOYSA-N 1 0 347.806 2.537 20 5 EFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000589113522 479479828 /nfs/dbraw/zinc/47/98/28/479479828.db2.gz DEPPVEXJIIFCQG-MNOVXSKESA-N 1 0 347.337 2.505 20 5 EFBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(C)C ZINC000602693614 479480266 /nfs/dbraw/zinc/48/02/66/479480266.db2.gz CQQYGGVNPAQRRA-MRXNPFEDSA-N 1 0 336.436 2.609 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000604198256 479483583 /nfs/dbraw/zinc/48/35/83/479483583.db2.gz DWCNJVJEYYLCAM-FZKQIMNGSA-N 1 0 349.431 2.844 20 5 EFBDRO CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC[NH+](C)CC1 ZINC000599985591 479486727 /nfs/dbraw/zinc/48/67/27/479486727.db2.gz HEYOYZHNHFNOPF-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1Br ZINC000602700742 479487641 /nfs/dbraw/zinc/48/76/41/479487641.db2.gz VVWOXJISQQJHFP-DRTBCBBWSA-N 1 0 333.207 2.828 20 5 EFBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]21 ZINC000599989249 479488158 /nfs/dbraw/zinc/48/81/58/479488158.db2.gz XWPLLBXWFFCAGD-VIKVFOODSA-N 1 0 331.416 2.524 20 5 EFBDRO CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000599986740 479488487 /nfs/dbraw/zinc/48/84/87/479488487.db2.gz YSMJPANMDLNLSU-UHFFFAOYSA-N 1 0 337.445 2.630 20 5 EFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704596 479489741 /nfs/dbraw/zinc/48/97/41/479489741.db2.gz AXYGJJRRXAZZGP-HIBRMCEJSA-N 1 0 337.401 2.515 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600001176 479491671 /nfs/dbraw/zinc/49/16/71/479491671.db2.gz ZWDGLAOUKSAOGX-FOLVSLTJSA-N 1 0 349.456 2.727 20 5 EFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000604265757 479493546 /nfs/dbraw/zinc/49/35/46/479493546.db2.gz FTDBRLLTHZHADW-CQSZACIVSA-N 1 0 342.399 2.777 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604264845 479493689 /nfs/dbraw/zinc/49/36/89/479493689.db2.gz YSBVXWBGINDDNL-UHFFFAOYSA-N 1 0 334.420 2.651 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2CO)n1 ZINC000618564659 479494048 /nfs/dbraw/zinc/49/40/48/479494048.db2.gz BJDRXOMGGFLQOM-HOTGVXAUSA-N 1 0 330.388 2.557 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611825642 479494210 /nfs/dbraw/zinc/49/42/10/479494210.db2.gz FUBZHMVUEUBGOR-KGLIPLIRSA-N 1 0 348.403 2.694 20 5 EFBDRO COC(=O)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604274095 479494814 /nfs/dbraw/zinc/49/48/14/479494814.db2.gz JEKQAQDGZYYNIV-UHFFFAOYSA-N 1 0 336.388 2.639 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000604303609 479496468 /nfs/dbraw/zinc/49/64/68/479496468.db2.gz UFRYHJFZYVOTDE-UMVBOHGHSA-N 1 0 346.431 2.535 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(CO)cc2)n1 ZINC000618572212 479496712 /nfs/dbraw/zinc/49/67/12/479496712.db2.gz SQTTUIQCFICOPJ-IAGOWNOFSA-N 1 0 344.415 2.600 20 5 EFBDRO CCCN1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602713388 479496822 /nfs/dbraw/zinc/49/68/22/479496822.db2.gz MIGDPBOEGRSIQO-VIFPVBQESA-N 1 0 348.266 2.993 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593884555 479497344 /nfs/dbraw/zinc/49/73/44/479497344.db2.gz YYCLAANYJACSGF-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604305050 479499360 /nfs/dbraw/zinc/49/93/60/479499360.db2.gz QGEKATVUQIAGIR-HNNXBMFYSA-N 1 0 336.388 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3ccco3)CC2)cn1 ZINC000602717917 479500166 /nfs/dbraw/zinc/50/01/66/479500166.db2.gz KLFOYJKINSXXDR-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CC[NH3+] ZINC000593914479 479507066 /nfs/dbraw/zinc/50/70/66/479507066.db2.gz CGHFIYBEXHYOJG-BXUZGUMPSA-N 1 0 331.372 2.931 20 5 EFBDRO C[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593915678 479507200 /nfs/dbraw/zinc/50/72/00/479507200.db2.gz JSTPQOBJKWVBDX-SWLSCSKDSA-N 1 0 337.445 2.663 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915340 479507264 /nfs/dbraw/zinc/50/72/64/479507264.db2.gz JAWVWBZVLWVVML-DGCLKSJQSA-N 1 0 337.445 2.906 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593934155 479512005 /nfs/dbraw/zinc/51/20/05/479512005.db2.gz ILZQGQVXHNIYGA-FZMZJTMJSA-N 1 0 337.445 2.906 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589326877 479514110 /nfs/dbraw/zinc/51/41/10/479514110.db2.gz WHEFKBHAPMZFKT-CYBMUJFWSA-N 1 0 337.420 2.576 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611938856 479526410 /nfs/dbraw/zinc/52/64/10/479526410.db2.gz LBQAWKFSPDWDIG-CXAGYDPISA-N 1 0 340.383 2.754 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611938859 479526507 /nfs/dbraw/zinc/52/65/07/479526507.db2.gz LBQAWKFSPDWDIG-SUMWQHHRSA-N 1 0 340.383 2.754 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521354 479536598 /nfs/dbraw/zinc/53/65/98/479536598.db2.gz ULKZDTCYQCIEKO-HOTGVXAUSA-N 1 0 338.379 2.534 20 5 EFBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602766093 479537429 /nfs/dbraw/zinc/53/74/29/479537429.db2.gz AHFVSWYXCISBRS-INIZCTEOSA-N 1 0 344.415 2.815 20 5 EFBDRO COc1ccc([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)cc1 ZINC000602770144 479541050 /nfs/dbraw/zinc/54/10/50/479541050.db2.gz NANBIQAFVOQKCO-OAHLLOKOSA-N 1 0 330.388 2.598 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000602776233 479544314 /nfs/dbraw/zinc/54/43/14/479544314.db2.gz AXTUBXCSBLBHQO-OAHLLOKOSA-N 1 0 332.379 2.803 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000602776979 479545302 /nfs/dbraw/zinc/54/53/02/479545302.db2.gz BJZNAUSWILPBLZ-HNNXBMFYSA-N 1 0 332.429 2.890 20 5 EFBDRO COC(=O)CC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000600157096 479549671 /nfs/dbraw/zinc/54/96/71/479549671.db2.gz ZNQGKJGZVHDXMC-UHFFFAOYSA-N 1 0 346.387 2.683 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000602785351 479551293 /nfs/dbraw/zinc/55/12/93/479551293.db2.gz TVBHNFKPFPCTEW-KRWDZBQOSA-N 1 0 344.415 2.638 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155845 479551537 /nfs/dbraw/zinc/55/15/37/479551537.db2.gz KANIZHLSTPCOTJ-KYOSRNDESA-N 1 0 344.371 2.817 20 5 EFBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602790008 479555141 /nfs/dbraw/zinc/55/51/41/479555141.db2.gz DONJSWWRIWJIOC-ZDUSSCGKSA-N 1 0 335.433 2.874 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC000576172092 479557182 /nfs/dbraw/zinc/55/71/82/479557182.db2.gz DBBXVXMFZPRJJU-DYVFJYSZSA-N 1 0 328.368 2.612 20 5 EFBDRO Cc1ncc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962442 479560867 /nfs/dbraw/zinc/56/08/67/479560867.db2.gz DJTHAETVBFBIJQ-OCCSQVGLSA-N 1 0 342.403 2.644 20 5 EFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000602802970 479564351 /nfs/dbraw/zinc/56/43/51/479564351.db2.gz SYKFPVITTRIJTQ-CQSZACIVSA-N 1 0 346.387 2.612 20 5 EFBDRO CN1C[C@@H]([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000600178218 479565091 /nfs/dbraw/zinc/56/50/91/479565091.db2.gz HTDMOUSYCRGBDW-HNNXBMFYSA-N 1 0 343.383 2.907 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000602805370 479565664 /nfs/dbraw/zinc/56/56/64/479565664.db2.gz LBHXESJSJXLRNB-WBVHZDCISA-N 1 0 344.415 2.857 20 5 EFBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000614977904 479567778 /nfs/dbraw/zinc/56/77/78/479567778.db2.gz PWVGSWLJPIWSSI-GDBMZVCRSA-N 1 0 337.445 2.619 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000602811127 479570028 /nfs/dbraw/zinc/57/00/28/479570028.db2.gz KHRLGDNICDEBNW-UHFFFAOYSA-N 1 0 342.403 2.511 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594056128 479570151 /nfs/dbraw/zinc/57/01/51/479570151.db2.gz RCBQSDSWSGSVFF-UKRRQHHQSA-N 1 0 348.403 2.742 20 5 EFBDRO COc1ccccc1C[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602811940 479570297 /nfs/dbraw/zinc/57/02/97/479570297.db2.gz PVXCDGATTXDAFV-MRXNPFEDSA-N 1 0 346.431 2.965 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000615000568 479573050 /nfs/dbraw/zinc/57/30/50/479573050.db2.gz BWWPSLNQSAALBF-HNNXBMFYSA-N 1 0 334.416 2.991 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000602823241 479576379 /nfs/dbraw/zinc/57/63/79/479576379.db2.gz AQACITZHQUEISG-BZUAXINKSA-N 1 0 336.436 2.505 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCO[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000602822087 479576752 /nfs/dbraw/zinc/57/67/52/479576752.db2.gz RKQOSIKULOUXMP-CABCVRRESA-N 1 0 349.431 2.541 20 5 EFBDRO CN(C)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000618761675 479583813 /nfs/dbraw/zinc/58/38/13/479583813.db2.gz BXXWMYKZTUYKNQ-UHFFFAOYSA-N 1 0 329.404 2.694 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594094442 479585898 /nfs/dbraw/zinc/58/58/98/479585898.db2.gz JYGLEVMELYPWLM-UKRRQHHQSA-N 1 0 348.403 2.742 20 5 EFBDRO C[C@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000612114170 479587942 /nfs/dbraw/zinc/58/79/42/479587942.db2.gz OTDLVUARJSQKQA-CYBMUJFWSA-N 1 0 329.404 2.636 20 5 EFBDRO O=C1[C@H]([NH+]2CCC(C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590008041 479591573 /nfs/dbraw/zinc/59/15/73/479591573.db2.gz ASLXXAYIMGIVLL-QGZVFWFLSA-N 1 0 329.400 2.822 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000612131414 479591808 /nfs/dbraw/zinc/59/18/08/479591808.db2.gz NDYVDOKPIUVGJE-OAHLLOKOSA-N 1 0 347.415 2.590 20 5 EFBDRO O=C(C[NH+]1CCC(C2CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590008261 479593198 /nfs/dbraw/zinc/59/31/98/479593198.db2.gz JXOGZYFKKNAWEF-UHFFFAOYSA-N 1 0 329.400 2.606 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000602852355 479593436 /nfs/dbraw/zinc/59/34/36/479593436.db2.gz PYPIOQUTAQBSCX-PXAZEXFGSA-N 1 0 348.378 2.701 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)cn1 ZINC000618808967 479602302 /nfs/dbraw/zinc/60/23/02/479602302.db2.gz OZIPNBPQGNLFBM-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO Cn1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC000618821799 479606442 /nfs/dbraw/zinc/60/64/42/479606442.db2.gz GPEUDIGMAAHYJO-UHFFFAOYSA-N 1 0 340.387 2.515 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602892173 479615960 /nfs/dbraw/zinc/61/59/60/479615960.db2.gz RAKINIDWJYCLTM-HZPDHXFCSA-N 1 0 338.379 2.534 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597204675 479620214 /nfs/dbraw/zinc/62/02/14/479620214.db2.gz CTDBZZVWTBBAMD-HOCLYGCPSA-N 1 0 331.416 2.819 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000594195112 479625487 /nfs/dbraw/zinc/62/54/87/479625487.db2.gz CCGQMLURLYMMEX-MHORFTMASA-N 1 0 343.427 2.831 20 5 EFBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594196151 479626797 /nfs/dbraw/zinc/62/67/97/479626797.db2.gz LBVTWOWHLLUBPO-KBPBESRZSA-N 1 0 349.456 2.820 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197189 479628129 /nfs/dbraw/zinc/62/81/29/479628129.db2.gz AVOBTWQILAGKSR-HZPDHXFCSA-N 1 0 349.456 2.820 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@]3(CCCO3)[C@@H]1C1CC1)OCCO2 ZINC000590381008 479637468 /nfs/dbraw/zinc/63/74/68/479637468.db2.gz UDCSRKPDBLWQNU-ZWKOTPCHSA-N 1 0 346.383 2.509 20 5 EFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597241486 479639577 /nfs/dbraw/zinc/63/95/77/479639577.db2.gz GJUNPCPPWPKZOH-HAQNSBGRSA-N 1 0 330.340 2.896 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590403415 479640241 /nfs/dbraw/zinc/64/02/41/479640241.db2.gz SCRUAMMIQOIQRW-HUBLWGQQSA-N 1 0 337.445 2.626 20 5 EFBDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000602956203 479650892 /nfs/dbraw/zinc/65/08/92/479650892.db2.gz MIIMUAXDLWEGJB-SNVBAGLBSA-N 1 0 346.412 2.600 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CC(=O)NC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618987673 479661429 /nfs/dbraw/zinc/66/14/29/479661429.db2.gz YJHFPMPUSMPBPK-MRXNPFEDSA-N 1 0 331.416 2.966 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccsc1 ZINC000590571649 479661589 /nfs/dbraw/zinc/66/15/89/479661589.db2.gz UNHYKNODAJAGLB-NSHDSACASA-N 1 0 326.809 2.841 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)OCCO2 ZINC000612402157 479665648 /nfs/dbraw/zinc/66/56/48/479665648.db2.gz QFXOKHKNBJWEBZ-CQSZACIVSA-N 1 0 348.399 2.615 20 5 EFBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000590600328 479666821 /nfs/dbraw/zinc/66/68/21/479666821.db2.gz JQZQOVGBQPUBIK-KRWDZBQOSA-N 1 0 345.399 2.718 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612591653 479702977 /nfs/dbraw/zinc/70/29/77/479702977.db2.gz LTSKTBOPCWTNOH-STQMWFEESA-N 1 0 337.395 2.826 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000615835571 479765588 /nfs/dbraw/zinc/76/55/88/479765588.db2.gz RRLQGHDRIDFZAR-QOZZVNKNSA-N 1 0 345.443 2.529 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000616052813 479816281 /nfs/dbraw/zinc/81/62/81/479816281.db2.gz ODHFONHNYFNGSO-UHFFFAOYSA-N 1 0 335.367 2.865 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612954703 479816508 /nfs/dbraw/zinc/81/65/08/479816508.db2.gz MZRVDRKWWHHESH-YOGCLGLASA-N 1 0 329.360 2.688 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000619532019 479820489 /nfs/dbraw/zinc/82/04/89/479820489.db2.gz XNRXCWQQFCJRAM-SUMWQHHRSA-N 1 0 330.384 2.858 20 5 EFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000619531805 479820915 /nfs/dbraw/zinc/82/09/15/479820915.db2.gz ZDAGFRZSRMNRHI-UHFFFAOYSA-N 1 0 336.388 2.959 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000619532017 479821098 /nfs/dbraw/zinc/82/10/98/479821098.db2.gz XNRXCWQQFCJRAM-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000619531780 479821180 /nfs/dbraw/zinc/82/11/80/479821180.db2.gz MDODYGBLAUKYDZ-UHFFFAOYSA-N 1 0 328.368 2.910 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619567061 479829871 /nfs/dbraw/zinc/82/98/71/479829871.db2.gz MIKOHKIRDHRGEJ-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000619639005 479846179 /nfs/dbraw/zinc/84/61/79/479846179.db2.gz WIRLASSVSMZCCE-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609483542 480165245 /nfs/dbraw/zinc/16/52/45/480165245.db2.gz YHMVXLWQZLCFNJ-UHFFFAOYSA-N 1 0 343.811 2.527 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609557040 480175765 /nfs/dbraw/zinc/17/57/65/480175765.db2.gz MTXOYWIYYFPWTC-HIFRSBDPSA-N 1 0 334.420 2.828 20 5 EFBDRO Cc1cc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000614066796 480179739 /nfs/dbraw/zinc/17/97/39/480179739.db2.gz PRAAEFIGXDDZJY-HNNXBMFYSA-N 1 0 348.374 2.914 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609833677 480210917 /nfs/dbraw/zinc/21/09/17/480210917.db2.gz SWXXOOIROGETQV-OAHLLOKOSA-N 1 0 344.415 2.540 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000609849514 480213389 /nfs/dbraw/zinc/21/33/89/480213389.db2.gz HNZFAAHGBVKAJB-AWEZNQCLSA-N 1 0 327.388 2.603 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609877264 480215281 /nfs/dbraw/zinc/21/52/81/480215281.db2.gz LBRQCPNTGKBLRD-ZDUSSCGKSA-N 1 0 339.823 2.781 20 5 EFBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609875842 480215498 /nfs/dbraw/zinc/21/54/98/480215498.db2.gz GXJADPQOVZBCJP-JTQLQIEISA-N 1 0 325.796 2.708 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000610115049 480239626 /nfs/dbraw/zinc/23/96/26/480239626.db2.gz NDQUHZNLMKJSAY-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCc2c1cnn2C ZINC000614261549 480248817 /nfs/dbraw/zinc/24/88/17/480248817.db2.gz SZTDZVPLFDTEOD-OAHLLOKOSA-N 1 0 340.387 2.714 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000610281309 480271059 /nfs/dbraw/zinc/27/10/59/480271059.db2.gz HTKSTDQPXAFBTP-WCQYABFASA-N 1 0 335.433 2.885 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000610283101 480271368 /nfs/dbraw/zinc/27/13/68/480271368.db2.gz ZTHKBMHLEAJIIK-UHFFFAOYSA-N 1 0 342.399 2.559 20 5 EFBDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610390865 480295285 /nfs/dbraw/zinc/29/52/85/480295285.db2.gz JDPSFFPMOHNWDX-KRWDZBQOSA-N 1 0 346.431 2.801 20 5 EFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000610435836 480305475 /nfs/dbraw/zinc/30/54/75/480305475.db2.gz MAEFGIJRSRPIAD-UHFFFAOYSA-N 1 0 340.383 2.515 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610447765 480309080 /nfs/dbraw/zinc/30/90/80/480309080.db2.gz SZSQMFAKYHLPHB-SJLPKXTDSA-N 1 0 344.415 2.891 20 5 EFBDRO CC1CCC([N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]2CCCO2)CC1 ZINC000610476436 480315284 /nfs/dbraw/zinc/31/52/84/480315284.db2.gz HCFWXDSDVMAISG-NRXISQOPSA-N 1 0 336.436 2.888 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724499 480337543 /nfs/dbraw/zinc/33/75/43/480337543.db2.gz FNGKHHHPSFBLSW-YOEHRIQHSA-N 1 0 331.416 2.785 20 5 EFBDRO COC(=O)[C@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610585866 480344871 /nfs/dbraw/zinc/34/48/71/480344871.db2.gz PZIJAMULQAWJFM-SNVBAGLBSA-N 1 0 333.344 2.510 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000610677557 480363469 /nfs/dbraw/zinc/36/34/69/480363469.db2.gz HCSLNGNLQWWSJA-MRXNPFEDSA-N 1 0 332.448 2.508 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[NH2+]1 ZINC000621156694 480365712 /nfs/dbraw/zinc/36/57/12/480365712.db2.gz GGOSENTURXBMNI-IBGZPJMESA-N 1 0 349.434 2.751 20 5 EFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618306372 480614208 /nfs/dbraw/zinc/61/42/08/480614208.db2.gz AKRAMMUHMJOGPM-SJKOYZFVSA-N 1 0 340.383 2.725 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000152925976 533745386 /nfs/dbraw/zinc/74/53/86/533745386.db2.gz PCOSQFACMHWONQ-XUJVJEKNSA-N 1 0 346.387 2.941 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128954939 533750291 /nfs/dbraw/zinc/75/02/91/533750291.db2.gz BZWFHCIAJIFCID-LBPRGKRZSA-N 1 0 341.408 2.890 20 5 EFBDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184222368 533811395 /nfs/dbraw/zinc/81/13/95/533811395.db2.gz OFBVIOCHAGLLCP-UHFFFAOYSA-N 1 0 325.384 2.516 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647836 533816082 /nfs/dbraw/zinc/81/60/82/533816082.db2.gz CUPZOMJRBVCDPT-AWEZNQCLSA-N 1 0 327.384 2.904 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000191800079 533947175 /nfs/dbraw/zinc/94/71/75/533947175.db2.gz KEEXORRYOXDWNV-GOSISDBHSA-N 1 0 339.395 2.794 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186752834 534006448 /nfs/dbraw/zinc/00/64/48/534006448.db2.gz JPNAYWDZGFVTRX-GFCCVEGCSA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129785982 534067795 /nfs/dbraw/zinc/06/77/95/534067795.db2.gz LBUBWODDLPVKDR-NUJGCVRESA-N 1 0 347.459 2.616 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153221739 534068136 /nfs/dbraw/zinc/06/81/36/534068136.db2.gz JELCRNGTGFAMAO-BETUJISGSA-N 1 0 333.388 2.664 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000181785151 534069922 /nfs/dbraw/zinc/06/99/22/534069922.db2.gz ATDDPMDDGTZPLE-GFCCVEGCSA-N 1 0 344.371 2.678 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296088161 517881518 /nfs/dbraw/zinc/88/15/18/517881518.db2.gz POZWWYBALZOOTO-CYBMUJFWSA-N 1 0 345.403 2.799 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000159828455 534320783 /nfs/dbraw/zinc/32/07/83/534320783.db2.gz YXFOSLJRNGILEY-UHFFFAOYSA-N 1 0 345.374 2.603 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000364004842 534372803 /nfs/dbraw/zinc/37/28/03/534372803.db2.gz RDGGBHIGQXSAGK-STQMWFEESA-N 1 0 349.406 2.755 20 5 EFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155029586 534426019 /nfs/dbraw/zinc/42/60/19/534426019.db2.gz MMRRDUZEFQDAGO-GFCCVEGCSA-N 1 0 329.356 2.552 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119981778 519620877 /nfs/dbraw/zinc/62/08/77/519620877.db2.gz RALCZGOKBIIJHR-UHFFFAOYSA-N 1 0 336.436 2.557 20 5 EFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000347631078 534448047 /nfs/dbraw/zinc/44/80/47/534448047.db2.gz PCSHWNCBHSEYFD-ZDUSSCGKSA-N 1 0 339.823 2.986 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000180712848 519788182 /nfs/dbraw/zinc/78/81/82/519788182.db2.gz JDQNTTSMJASZSH-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072836409 519826680 /nfs/dbraw/zinc/82/66/80/519826680.db2.gz IPSLVKPBTAYKPF-OAHLLOKOSA-N 1 0 337.445 2.997 20 5 EFBDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072977234 520171322 /nfs/dbraw/zinc/17/13/22/520171322.db2.gz JKLAJVNXAUOPTM-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000171593541 534480658 /nfs/dbraw/zinc/48/06/58/534480658.db2.gz FBMPDWCPYSBOGI-UHFFFAOYSA-N 1 0 325.368 2.642 20 5 EFBDRO CCN(CCC[NH+](CC)CC)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000190966578 520593463 /nfs/dbraw/zinc/59/34/63/520593463.db2.gz FCNHQONXAFSIGS-UHFFFAOYSA-N 1 0 336.436 2.513 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101650289 520634912 /nfs/dbraw/zinc/63/49/12/520634912.db2.gz SENGXPJJSMINIS-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245446709 520848676 /nfs/dbraw/zinc/84/86/76/520848676.db2.gz LJWNLPZJVPXSBF-HUUCEWRRSA-N 1 0 348.447 2.646 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000075851012 520911848 /nfs/dbraw/zinc/91/18/48/520911848.db2.gz HFSJICJSZXKSEF-AWEZNQCLSA-N 1 0 337.420 2.700 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090454448 521262515 /nfs/dbraw/zinc/26/25/15/521262515.db2.gz WLRIHFNEHQJQAU-FZMZJTMJSA-N 1 0 330.388 2.925 20 5 EFBDRO [NH3+]C1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000131929129 534559670 /nfs/dbraw/zinc/55/96/70/534559670.db2.gz MFOOKIZHSLHGDL-UHFFFAOYSA-N 1 0 346.412 2.718 20 5 EFBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000077249853 521561973 /nfs/dbraw/zinc/56/19/73/521561973.db2.gz XYLZGTQLYUCUBO-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCC[N@H+](CC)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000230215664 521610182 /nfs/dbraw/zinc/61/01/82/521610182.db2.gz HNPVKUZIXGZRCL-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000177809684 521721653 /nfs/dbraw/zinc/72/16/53/521721653.db2.gz JJQINMTYSZWZAP-QDTKCAEZSA-N 1 0 329.400 2.693 20 5 EFBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000119302627 521785006 /nfs/dbraw/zinc/78/50/06/521785006.db2.gz NHNIMMZLMCRJLX-UHFFFAOYSA-N 1 0 329.356 2.679 20 5 EFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc21 ZINC000153355485 521820377 /nfs/dbraw/zinc/82/03/77/521820377.db2.gz QNBUPPQKOMXHIS-UHFFFAOYSA-N 1 0 342.355 2.956 20 5 EFBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150808730 534592153 /nfs/dbraw/zinc/59/21/53/534592153.db2.gz QABRPCQQIPPGOC-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180366256 521926552 /nfs/dbraw/zinc/92/65/52/521926552.db2.gz NCMJLLAYCKOFCV-UHFFFAOYSA-N 1 0 343.339 2.637 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000176947957 521934067 /nfs/dbraw/zinc/93/40/67/521934067.db2.gz LRLFEECKCBSEKM-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120945948 522044508 /nfs/dbraw/zinc/04/45/08/522044508.db2.gz VAIYJCPIYRBMIQ-ZIAGYGMSSA-N 1 0 344.415 2.608 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000154595872 522049044 /nfs/dbraw/zinc/04/90/44/522049044.db2.gz NQMFHMHGPARYNC-QWHCGFSZSA-N 1 0 342.399 2.746 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120103824 522624754 /nfs/dbraw/zinc/62/47/54/522624754.db2.gz GYQYPNKESREYME-ZWKOTPCHSA-N 1 0 335.448 2.992 20 5 EFBDRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000181075594 522633542 /nfs/dbraw/zinc/63/35/42/522633542.db2.gz XALYNKOXELQQBK-UHFFFAOYSA-N 1 0 330.388 2.654 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245906868 522975762 /nfs/dbraw/zinc/97/57/62/522975762.db2.gz LVGWWOAKGNLBRM-QWHCGFSZSA-N 1 0 335.404 2.910 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]CCn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237428248 523132525 /nfs/dbraw/zinc/13/25/25/523132525.db2.gz MVWCFQKRUHOSJQ-UHFFFAOYSA-N 1 0 342.355 2.850 20 5 EFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081290671 523726693 /nfs/dbraw/zinc/72/66/93/523726693.db2.gz DHVURDHFMPQALU-OAHLLOKOSA-N 1 0 347.415 2.598 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000170629787 523762946 /nfs/dbraw/zinc/76/29/46/523762946.db2.gz RNFMYWXPRKPHGK-UHFFFAOYSA-N 1 0 333.413 2.881 20 5 EFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177849371 523879011 /nfs/dbraw/zinc/87/90/11/523879011.db2.gz DECIFQDGQXUNPN-NSHDSACASA-N 1 0 337.376 2.630 20 5 EFBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191623000 534744207 /nfs/dbraw/zinc/74/42/07/534744207.db2.gz PTPRBBWWWCHHAI-UHFFFAOYSA-N 1 0 339.395 2.989 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153722057 534751889 /nfs/dbraw/zinc/75/18/89/534751889.db2.gz VJWFPQMTZXLULI-CJNGLKHVSA-N 1 0 329.400 2.684 20 5 EFBDRO C[NH+](C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000063829291 524058557 /nfs/dbraw/zinc/05/85/57/524058557.db2.gz CLDRRXPVLWHKEF-UHFFFAOYSA-N 1 0 343.383 2.568 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000159495167 524986743 /nfs/dbraw/zinc/98/67/43/524986743.db2.gz AAMREEGSIHZNJK-ZJUUUORDSA-N 1 0 328.210 2.540 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000119852533 525011904 /nfs/dbraw/zinc/01/19/04/525011904.db2.gz GMRJOBWJJPHRHL-PBHICJAKSA-N 1 0 339.395 2.845 20 5 EFBDRO C[C@](C[NH3+])(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000154908727 525140509 /nfs/dbraw/zinc/14/05/09/525140509.db2.gz SZBJEFRHSNPGNK-MRXNPFEDSA-N 1 0 346.412 2.576 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055389369 525211206 /nfs/dbraw/zinc/21/12/06/525211206.db2.gz GNLNPILRIAJKQD-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO Cc1cc(NC[C@@H](O)COCC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181456775 525273278 /nfs/dbraw/zinc/27/32/78/525273278.db2.gz MKDBTIMBYBNVOC-CQSZACIVSA-N 1 0 333.388 2.897 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245965161 525466635 /nfs/dbraw/zinc/46/66/35/525466635.db2.gz VLDMJLLZNFTFMI-QWHCGFSZSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000194936965 525564046 /nfs/dbraw/zinc/56/40/46/525564046.db2.gz DIHJQIJACIXPDA-AWEZNQCLSA-N 1 0 345.403 2.732 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155460081 525565272 /nfs/dbraw/zinc/56/52/72/525565272.db2.gz JWELHYPMEHZYOR-PBHICJAKSA-N 1 0 347.415 2.733 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176722272 525895306 /nfs/dbraw/zinc/89/53/06/525895306.db2.gz SBTOTQUMNXVFSM-HNNXBMFYSA-N 1 0 348.447 2.947 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185265567 525995180 /nfs/dbraw/zinc/99/51/80/525995180.db2.gz QNMBRLBTQHDXFN-UONOGXRCSA-N 1 0 349.406 2.782 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000178151685 526060716 /nfs/dbraw/zinc/06/07/16/526060716.db2.gz RBLLJVFAEVBMQX-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120919407 526168305 /nfs/dbraw/zinc/16/83/05/526168305.db2.gz JUUCRUPOEAEEPK-CQSZACIVSA-N 1 0 327.384 2.984 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153922051 526188197 /nfs/dbraw/zinc/18/81/97/526188197.db2.gz NRGFSWQEBHUOMS-PXAZEXFGSA-N 1 0 344.371 2.818 20 5 EFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000178734305 526513595 /nfs/dbraw/zinc/51/35/95/526513595.db2.gz OLTFUASOFPOZRS-ZDUSSCGKSA-N 1 0 341.367 2.869 20 5 EFBDRO Cc1noc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000065535924 526588576 /nfs/dbraw/zinc/58/85/76/526588576.db2.gz LMBXXQUYFBAKOM-UHFFFAOYSA-N 1 0 332.360 2.545 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000077510559 526609952 /nfs/dbraw/zinc/60/99/52/526609952.db2.gz ZINRFIURHAVYCI-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000261950527 526610371 /nfs/dbraw/zinc/61/03/71/526610371.db2.gz WGTWWXNIBVDIJY-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000181473765 526617296 /nfs/dbraw/zinc/61/72/96/526617296.db2.gz NRVLNTNQUSEGHV-CYBMUJFWSA-N 1 0 334.376 2.532 20 5 EFBDRO Cc1noc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000065535887 526669215 /nfs/dbraw/zinc/66/92/15/526669215.db2.gz WQLQTYIKOBXWHM-ZDUSSCGKSA-N 1 0 332.360 2.545 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342738248 536496869 /nfs/dbraw/zinc/49/68/69/536496869.db2.gz UTLGUXGWPGYJIS-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000152020300 527247031 /nfs/dbraw/zinc/24/70/31/527247031.db2.gz GYOFQCBWDMDUMR-MRXNPFEDSA-N 1 0 349.406 2.753 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289692 527294952 /nfs/dbraw/zinc/29/49/52/527294952.db2.gz QDSVXKQCWWGDCP-INIZCTEOSA-N 1 0 331.416 2.518 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000261809576 527330027 /nfs/dbraw/zinc/33/00/27/527330027.db2.gz SFLBXUUQGVLXOY-AAEUAGOBSA-N 1 0 340.221 2.541 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000089892674 527342805 /nfs/dbraw/zinc/34/28/05/527342805.db2.gz RUHODRXIAAIMRI-QGZVFWFLSA-N 1 0 342.399 2.920 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000083405920 527346827 /nfs/dbraw/zinc/34/68/27/527346827.db2.gz KOUNGMGOZVVYDH-GOSISDBHSA-N 1 0 334.416 2.797 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000245543069 527402413 /nfs/dbraw/zinc/40/24/13/527402413.db2.gz LPLVARMDEUDBGK-QRTARXTBSA-N 1 0 336.457 2.764 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919279 527627287 /nfs/dbraw/zinc/62/72/87/527627287.db2.gz UPBAGJSSAUFXJH-VOTSOKGWSA-N 1 0 343.427 2.942 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000172464296 527655497 /nfs/dbraw/zinc/65/54/97/527655497.db2.gz URJHQILLVJWRPQ-UHFFFAOYSA-N 1 0 348.447 2.703 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000174640014 527975294 /nfs/dbraw/zinc/97/52/94/527975294.db2.gz HLSOMUFAJIUCMR-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134262794 528058460 /nfs/dbraw/zinc/05/84/60/528058460.db2.gz HRWSGUZPVAQIHX-UHFFFAOYSA-N 1 0 325.384 2.976 20 5 EFBDRO CC(C)c1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000189806464 528067930 /nfs/dbraw/zinc/06/79/30/528067930.db2.gz SHGNWIXXYQOTEL-UHFFFAOYSA-N 1 0 349.431 2.559 20 5 EFBDRO CC1CCC([NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000176722088 528195348 /nfs/dbraw/zinc/19/53/48/528195348.db2.gz IMGWGXAFTSIAEW-UHFFFAOYSA-N 1 0 346.431 2.514 20 5 EFBDRO CCOc1cc(N2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000174917797 528311605 /nfs/dbraw/zinc/31/16/05/528311605.db2.gz BMZROZCNSCULNB-UHFFFAOYSA-N 1 0 337.420 2.541 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000155282365 528352916 /nfs/dbraw/zinc/35/29/16/528352916.db2.gz SXKIMOHOLLIZAY-KRWDZBQOSA-N 1 0 349.431 2.551 20 5 EFBDRO CCCC[N@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129972827 528418810 /nfs/dbraw/zinc/41/88/10/528418810.db2.gz ZECXLJXXOZMHSV-UHFFFAOYSA-N 1 0 341.383 2.547 20 5 EFBDRO CCN(CCC[NH+](C)C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000190292094 528443056 /nfs/dbraw/zinc/44/30/56/528443056.db2.gz DXOLNPQKOWMNIN-UHFFFAOYSA-N 1 0 331.214 2.530 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000153637561 528594547 /nfs/dbraw/zinc/59/45/47/528594547.db2.gz RUIAJAXCZGDUII-CYBMUJFWSA-N 1 0 349.431 2.903 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)N[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153244705 528595391 /nfs/dbraw/zinc/59/53/91/528595391.db2.gz KRYOYYOYWNSIOK-QWHCGFSZSA-N 1 0 337.420 2.949 20 5 EFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)Cc1ccsc1 ZINC000187790534 528611980 /nfs/dbraw/zinc/61/19/80/528611980.db2.gz RHOPQXZDESCLAG-CYBMUJFWSA-N 1 0 335.429 2.771 20 5 EFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000189804198 528896952 /nfs/dbraw/zinc/89/69/52/528896952.db2.gz LZXRDYLBIOBZCY-DZGCQCFKSA-N 1 0 337.420 2.881 20 5 EFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000189804235 528899293 /nfs/dbraw/zinc/89/92/93/528899293.db2.gz LZXRDYLBIOBZCY-UKRRQHHQSA-N 1 0 337.420 2.881 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161851649 528986914 /nfs/dbraw/zinc/98/69/14/528986914.db2.gz BHDJGFKTPPBQPN-HNNXBMFYSA-N 1 0 333.388 2.789 20 5 EFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000189804216 528994898 /nfs/dbraw/zinc/99/48/98/528994898.db2.gz LZXRDYLBIOBZCY-HIFRSBDPSA-N 1 0 337.420 2.881 20 5 EFBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174030167 529191257 /nfs/dbraw/zinc/19/12/57/529191257.db2.gz PRCNZRRSRMFSRE-NSHDSACASA-N 1 0 325.434 2.657 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000411932640 534945197 /nfs/dbraw/zinc/94/51/97/534945197.db2.gz CHRRNCUHLUVXLW-AWEZNQCLSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412181939 534949467 /nfs/dbraw/zinc/94/94/67/534949467.db2.gz YVZBPKIVXHLXJG-GXTWGEPZSA-N 1 0 347.415 2.737 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000412181942 534951556 /nfs/dbraw/zinc/95/15/56/534951556.db2.gz YVZBPKIVXHLXJG-JSGCOSHPSA-N 1 0 347.415 2.737 20 5 EFBDRO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000430212120 535008123 /nfs/dbraw/zinc/00/81/23/535008123.db2.gz ZKXRTFINXHDANP-UHFFFAOYSA-N 1 0 349.431 2.922 20 5 EFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000427382586 535011757 /nfs/dbraw/zinc/01/17/57/535011757.db2.gz NMTMUTQZCOKHPC-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CC(C)(C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357857973 535013948 /nfs/dbraw/zinc/01/39/48/535013948.db2.gz MAXMBZBWUDFACU-UHFFFAOYSA-N 1 0 345.443 2.865 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342773397 535074565 /nfs/dbraw/zinc/07/45/65/535074565.db2.gz BNJYTXQZVYKSCT-CYBMUJFWSA-N 1 0 334.420 2.616 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418594418 535093599 /nfs/dbraw/zinc/09/35/99/535093599.db2.gz FMZDOZDODLPWKB-ZFWWWQNUSA-N 1 0 334.420 2.655 20 5 EFBDRO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000359522468 535135776 /nfs/dbraw/zinc/13/57/76/535135776.db2.gz XQQNOBMZJAJIBK-KRWDZBQOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342910379 535176540 /nfs/dbraw/zinc/17/65/40/535176540.db2.gz ZCNQXOUCHVDNEI-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]CC1 ZINC000193377884 535187105 /nfs/dbraw/zinc/18/71/05/535187105.db2.gz JJXNDNQJSVADPE-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418399631 535227798 /nfs/dbraw/zinc/22/77/98/535227798.db2.gz DYFAOWMUQOIXGN-JSGCOSHPSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418399632 535228013 /nfs/dbraw/zinc/22/80/13/535228013.db2.gz DYFAOWMUQOIXGN-OCCSQVGLSA-N 1 0 334.420 2.647 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356593465 535236829 /nfs/dbraw/zinc/23/68/29/535236829.db2.gz GOENFAAMZNTZDL-LBPRGKRZSA-N 1 0 325.384 2.513 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266305685 535261154 /nfs/dbraw/zinc/26/11/54/535261154.db2.gz MDOOFUBYBBWVLP-ZDUSSCGKSA-N 1 0 344.415 2.880 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342719988 535284850 /nfs/dbraw/zinc/28/48/50/535284850.db2.gz YLWGQYJCNMWULD-HNNXBMFYSA-N 1 0 340.445 2.879 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000423430958 535426126 /nfs/dbraw/zinc/42/61/26/535426126.db2.gz ACHPJPVTPLURCP-MRXNPFEDSA-N 1 0 347.415 2.598 20 5 EFBDRO CCOc1cccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000346281497 535470054 /nfs/dbraw/zinc/47/00/54/535470054.db2.gz VFZZPTQBYHLXLD-ZIAGYGMSSA-N 1 0 337.420 2.905 20 5 EFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000266019952 535522888 /nfs/dbraw/zinc/52/28/88/535522888.db2.gz RAJZTHWTZPFRSC-DLBZAZTESA-N 1 0 334.416 2.655 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000341696595 535575672 /nfs/dbraw/zinc/57/56/72/535575672.db2.gz JTRACKFDCFBRJB-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345628825 535589120 /nfs/dbraw/zinc/58/91/20/535589120.db2.gz DOHMWRHGUINPIG-LBPRGKRZSA-N 1 0 330.388 2.603 20 5 EFBDRO CCOC(=O)c1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000433707870 535680831 /nfs/dbraw/zinc/68/08/31/535680831.db2.gz FIQPSLQPOSPVMG-UHFFFAOYSA-N 1 0 335.404 2.915 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266425474 535755134 /nfs/dbraw/zinc/75/51/34/535755134.db2.gz QTWUZQKVUCPWML-GFCCVEGCSA-N 1 0 331.372 2.755 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000346403648 535775937 /nfs/dbraw/zinc/77/59/37/535775937.db2.gz BJAIJHMNAGHAEW-NWDGAFQWSA-N 1 0 336.392 2.550 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345937055 535777138 /nfs/dbraw/zinc/77/71/38/535777138.db2.gz BMTUFHGPRLSIJP-CHWSQXEVSA-N 1 0 346.431 2.724 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345937061 535777387 /nfs/dbraw/zinc/77/73/87/535777387.db2.gz BMTUFHGPRLSIJP-QWHCGFSZSA-N 1 0 346.431 2.724 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000414124020 535803971 /nfs/dbraw/zinc/80/39/71/535803971.db2.gz BQTJADXJILWWST-LSDHHAIUSA-N 1 0 340.445 2.783 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000356294450 535846476 /nfs/dbraw/zinc/84/64/76/535846476.db2.gz SUUKHNTWJTUIHF-UHFFFAOYSA-N 1 0 333.413 2.976 20 5 EFBDRO CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414250999 535899174 /nfs/dbraw/zinc/89/91/74/535899174.db2.gz ICYHEISTNHOUPF-AWEZNQCLSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000342395445 536015489 /nfs/dbraw/zinc/01/54/89/536015489.db2.gz QVEMSIBEKKEAMK-UHFFFAOYSA-N 1 0 332.335 2.630 20 5 EFBDRO CC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000366573222 536023605 /nfs/dbraw/zinc/02/36/05/536023605.db2.gz PMLDOHNBINOBCS-OAHLLOKOSA-N 1 0 325.796 2.596 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000342177765 536132426 /nfs/dbraw/zinc/13/24/26/536132426.db2.gz WSNNDLVCWKSKAK-INIZCTEOSA-N 1 0 334.420 2.616 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435036141 536180652 /nfs/dbraw/zinc/18/06/52/536180652.db2.gz SPNOOCKFLAZKQC-AWEZNQCLSA-N 1 0 344.415 2.900 20 5 EFBDRO C[NH+]1CCC(C)(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000227307075 536335634 /nfs/dbraw/zinc/33/56/34/536335634.db2.gz IQGHFFNPPAYVMP-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO C[N@H+](CCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000412418076 536338504 /nfs/dbraw/zinc/33/85/04/536338504.db2.gz FSOBDOQKBQTIBH-DLBZAZTESA-N 1 0 331.416 2.689 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000351987002 536348228 /nfs/dbraw/zinc/34/82/28/536348228.db2.gz OUUZQNLDLCUGGW-UHFFFAOYSA-N 1 0 349.456 2.774 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000412366826 536393257 /nfs/dbraw/zinc/39/32/57/536393257.db2.gz RSYDQJZDWOWVDY-SCTDSRPQSA-N 1 0 343.427 2.643 20 5 EFBDRO C[NH2+]C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378767 536467854 /nfs/dbraw/zinc/46/78/54/536467854.db2.gz GHZRLVMZVMJNIF-GFCCVEGCSA-N 1 0 332.429 2.760 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351621081 536471310 /nfs/dbraw/zinc/47/13/10/536471310.db2.gz PSOKAHACLQENSD-XHDPSFHLSA-N 1 0 336.367 2.682 20 5 EFBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417388029 536643656 /nfs/dbraw/zinc/64/36/56/536643656.db2.gz ZGCHCTDFFBMOKA-BBRMVZONSA-N 1 0 337.420 2.963 20 5 EFBDRO COC1([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414319055 536709911 /nfs/dbraw/zinc/70/99/11/536709911.db2.gz RACLGOXRPKFPMZ-QWHCGFSZSA-N 1 0 335.404 2.859 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342575258 536742540 /nfs/dbraw/zinc/74/25/40/536742540.db2.gz XHICVFSDPISKIC-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000364065571 536751917 /nfs/dbraw/zinc/75/19/17/536751917.db2.gz VLLJLDFWPXHJBJ-CQSZACIVSA-N 1 0 337.395 2.803 20 5 EFBDRO COCC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209116 536767999 /nfs/dbraw/zinc/76/79/99/536767999.db2.gz SHYOJRBARZHQKQ-CJNGLKHVSA-N 1 0 332.404 2.680 20 5 EFBDRO COCC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000414195814 536768368 /nfs/dbraw/zinc/76/83/68/536768368.db2.gz JKUVCOLTUUWCQA-CZUORRHYSA-N 1 0 332.404 2.680 20 5 EFBDRO COCC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000414209118 536768549 /nfs/dbraw/zinc/76/85/49/536768549.db2.gz SHYOJRBARZHQKQ-CZUORRHYSA-N 1 0 332.404 2.680 20 5 EFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568378 536882574 /nfs/dbraw/zinc/88/25/74/536882574.db2.gz VDWROYFCXNXDEE-VXGBXAGGSA-N 1 0 344.371 2.676 20 5 EFBDRO COC(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000430097911 546226017 /nfs/dbraw/zinc/22/60/17/546226017.db2.gz CLBUGEPTHODBHB-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000584616904 546370293 /nfs/dbraw/zinc/37/02/93/546370293.db2.gz PNXJFEYYFYAXRY-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C1CCCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519732 576174146 /nfs/dbraw/zinc/17/41/46/576174146.db2.gz GTCIATYYTXQUKF-UHFFFAOYSA-N 1 0 325.796 2.740 20 5 EFBDRO CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753940644 575363684 /nfs/dbraw/zinc/36/36/84/575363684.db2.gz UUMKYWJPJVLLFY-HOCLYGCPSA-N 1 0 333.432 2.764 20 5 EFBDRO COc1ccc(OCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250941 575410787 /nfs/dbraw/zinc/41/07/87/575410787.db2.gz NJOYRUURBOAFMF-SFHVURJKSA-N 1 0 346.383 2.696 20 5 EFBDRO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346829 575423398 /nfs/dbraw/zinc/42/33/98/575423398.db2.gz GTIUEZOQKHLRNQ-JKSUJKDBSA-N 1 0 334.372 2.761 20 5 EFBDRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382045 575427938 /nfs/dbraw/zinc/42/79/38/575427938.db2.gz FBRWXYKZYWWQKM-BXUZGUMPSA-N 1 0 349.412 2.697 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000754383838 575428389 /nfs/dbraw/zinc/42/83/89/575428389.db2.gz JUAMNGLIIYIFCX-QMTHXVAHSA-N 1 0 343.811 2.836 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754389175 575430265 /nfs/dbraw/zinc/43/02/65/575430265.db2.gz ZYZYMJWTFBMRGQ-CQSZACIVSA-N 1 0 349.412 2.617 20 5 EFBDRO C[C@H]1C[NH+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000754614909 575461837 /nfs/dbraw/zinc/46/18/37/575461837.db2.gz RHKXRVPZSWJFDD-KBPBESRZSA-N 1 0 347.419 2.544 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000754781869 575488682 /nfs/dbraw/zinc/48/86/82/575488682.db2.gz GGYKAZDAKGWEHN-AWEZNQCLSA-N 1 0 330.388 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](C4CCOCC4)C3)c2c1 ZINC000754795980 575492620 /nfs/dbraw/zinc/49/26/20/575492620.db2.gz KPJREGYZEXPPNJ-HNNXBMFYSA-N 1 0 330.388 2.651 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000755003816 575528632 /nfs/dbraw/zinc/52/86/32/575528632.db2.gz HHLBNUXHEWIWBY-CQSZACIVSA-N 1 0 336.388 2.578 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000755003814 575528679 /nfs/dbraw/zinc/52/86/79/575528679.db2.gz HHLBNUXHEWIWBY-AWEZNQCLSA-N 1 0 336.388 2.578 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000755666455 575615692 /nfs/dbraw/zinc/61/56/92/575615692.db2.gz ZVIGAGQAZMNOBF-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cn1ccnc1[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000756129818 575690121 /nfs/dbraw/zinc/69/01/21/575690121.db2.gz FHELDWCIMCPVDX-JTQLQIEISA-N 1 0 334.763 2.611 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000756335035 575719483 /nfs/dbraw/zinc/71/94/83/575719483.db2.gz WBMMIYNPTYUWOR-ZJUUUORDSA-N 1 0 326.784 2.805 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756712884 575779909 /nfs/dbraw/zinc/77/99/09/575779909.db2.gz DENGSZSOGQPOFV-MRXNPFEDSA-N 1 0 332.448 2.591 20 5 EFBDRO CC[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000756934668 575803394 /nfs/dbraw/zinc/80/33/94/575803394.db2.gz YGUMKENLSPADML-UHFFFAOYSA-N 1 0 342.827 2.778 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756951885 575804765 /nfs/dbraw/zinc/80/47/65/575804765.db2.gz XPPCRTQZHVUPAB-LLVKDONJSA-N 1 0 342.827 2.778 20 5 EFBDRO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000756998380 575809381 /nfs/dbraw/zinc/80/93/81/575809381.db2.gz LEHZVZPTKKMNHV-CQSZACIVSA-N 1 0 327.812 2.985 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000757700842 575850613 /nfs/dbraw/zinc/85/06/13/575850613.db2.gz DOIAIHYKEYFKOV-SNVBAGLBSA-N 1 0 341.795 2.565 20 5 EFBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293928 576141498 /nfs/dbraw/zinc/14/14/98/576141498.db2.gz TUMPEEUDBRBMGT-ZIAGYGMSSA-N 1 0 330.388 2.569 20 5 EFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000761907450 576227499 /nfs/dbraw/zinc/22/74/99/576227499.db2.gz AHMZXUFRTUGQBG-SECBINFHSA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000762957945 576350248 /nfs/dbraw/zinc/35/02/48/576350248.db2.gz DDAJIWXAEGAJGW-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000763407603 576376184 /nfs/dbraw/zinc/37/61/84/576376184.db2.gz NOHVOWQUNQKBFB-MNOVXSKESA-N 1 0 341.358 2.866 20 5 EFBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000763523889 576380093 /nfs/dbraw/zinc/38/00/93/576380093.db2.gz KANIVDYSCZVFHO-BXUZGUMPSA-N 1 0 348.355 2.561 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000763629763 576383265 /nfs/dbraw/zinc/38/32/65/576383265.db2.gz SJCWQHBBSLJMOP-RHSMWYFYSA-N 1 0 342.395 2.954 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000763767376 576397258 /nfs/dbraw/zinc/39/72/58/576397258.db2.gz HWFGIYPERYXBBH-UHFFFAOYSA-N 1 0 325.384 2.928 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000764956183 576528367 /nfs/dbraw/zinc/52/83/67/576528367.db2.gz HPEVCTKFLWAZFQ-CYBMUJFWSA-N 1 0 338.371 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCn3ccnc3)CC2)cc1 ZINC000765257001 577023917 /nfs/dbraw/zinc/02/39/17/577023917.db2.gz FPVIFGNIJWERBT-UHFFFAOYSA-N 1 0 343.431 2.830 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000765383781 577037142 /nfs/dbraw/zinc/03/71/42/577037142.db2.gz UZXPWUVCODGZHJ-CQSZACIVSA-N 1 0 327.384 2.870 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000765490779 577046591 /nfs/dbraw/zinc/04/65/91/577046591.db2.gz WVGFMINTJCVTQN-SECBINFHSA-N 1 0 329.784 2.787 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000765508841 577048645 /nfs/dbraw/zinc/04/86/45/577048645.db2.gz LDCWEKXVSSKNNW-NXEZZACHSA-N 1 0 341.795 2.929 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000765848568 577082531 /nfs/dbraw/zinc/08/25/31/577082531.db2.gz HPJXZEDQXKGLCG-KZNWIGSXSA-N 1 0 348.424 2.716 20 5 EFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849340 577082993 /nfs/dbraw/zinc/08/29/93/577082993.db2.gz OQDQZLYETSIUNW-SJORKVTESA-N 1 0 328.368 2.914 20 5 EFBDRO CCc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000766135069 577112808 /nfs/dbraw/zinc/11/28/08/577112808.db2.gz JMDHAJICNBCJNY-UHFFFAOYSA-N 1 0 330.388 2.904 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000766141533 577113886 /nfs/dbraw/zinc/11/38/86/577113886.db2.gz MYBJZZHSKQKRRU-NHYWBVRUSA-N 1 0 347.371 2.537 20 5 EFBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C ZINC000766165428 577115325 /nfs/dbraw/zinc/11/53/25/577115325.db2.gz IXDOQWIBRLKNPQ-ZBFHGGJFSA-N 1 0 332.448 2.636 20 5 EFBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C ZINC000766165425 577115332 /nfs/dbraw/zinc/11/53/32/577115332.db2.gz IXDOQWIBRLKNPQ-GDBMZVCRSA-N 1 0 332.448 2.636 20 5 EFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766359387 577139638 /nfs/dbraw/zinc/13/96/38/577139638.db2.gz CUECPZMUWVYMHK-CABCVRRESA-N 1 0 335.448 2.950 20 5 EFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766359389 577139677 /nfs/dbraw/zinc/13/96/77/577139677.db2.gz CUECPZMUWVYMHK-HUUCEWRRSA-N 1 0 335.448 2.950 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000766536003 577163486 /nfs/dbraw/zinc/16/34/86/577163486.db2.gz OMLCAQIMBWIXCV-DLBZAZTESA-N 1 0 333.432 2.967 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000766555035 577166216 /nfs/dbraw/zinc/16/62/16/577166216.db2.gz IBKUPEDMYFHTDI-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766827824 577184039 /nfs/dbraw/zinc/18/40/39/577184039.db2.gz MXVWRQNINCCNPA-OAHLLOKOSA-N 1 0 328.340 2.564 20 5 EFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000766954746 577189696 /nfs/dbraw/zinc/18/96/96/577189696.db2.gz PYCSXHNBAUKINX-GUYCJALGSA-N 1 0 348.378 2.556 20 5 EFBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767820009 577236369 /nfs/dbraw/zinc/23/63/69/577236369.db2.gz OLXHJFCFMITTMW-PKOBYXMFSA-N 1 0 344.411 2.901 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(CC)CC ZINC000768098100 577254341 /nfs/dbraw/zinc/25/43/41/577254341.db2.gz RPSGBGZPLONBTN-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000768480473 577277645 /nfs/dbraw/zinc/27/76/45/577277645.db2.gz RWMIWLMXPXSSNS-DOMZBBRYSA-N 1 0 334.445 2.708 20 5 EFBDRO Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ccc([N+](=O)[O-])cc12 ZINC000768499939 577278572 /nfs/dbraw/zinc/27/85/72/577278572.db2.gz NGJMOLCMMNLGGP-YOEHRIQHSA-N 1 0 343.431 2.627 20 5 EFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000768925857 577317096 /nfs/dbraw/zinc/31/70/96/577317096.db2.gz ICWDNELIQGNPOC-WEVVVXLNSA-N 1 0 325.368 2.839 20 5 EFBDRO CC[N@@H+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769382651 577357185 /nfs/dbraw/zinc/35/71/85/577357185.db2.gz ZVNCUHVLACZSPL-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000770016340 577397839 /nfs/dbraw/zinc/39/78/39/577397839.db2.gz NHOYVNSYDREJNE-TZMCWYRMSA-N 1 0 338.795 2.997 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000770016337 577397862 /nfs/dbraw/zinc/39/78/62/577397862.db2.gz NHOYVNSYDREJNE-OCCSQVGLSA-N 1 0 338.795 2.997 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000771187374 581185572 /nfs/dbraw/zinc/18/55/72/581185572.db2.gz RAHUGMWNJGMNHG-NSHDSACASA-N 1 0 329.347 2.974 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000771542662 581221603 /nfs/dbraw/zinc/22/16/03/581221603.db2.gz CRUIRBLHFYHBEW-UHFFFAOYSA-N 1 0 349.366 2.894 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000771934587 581261627 /nfs/dbraw/zinc/26/16/27/581261627.db2.gz BEQLBPZAYZQTGR-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2ccc(F)cc2)n1 ZINC000774115888 581484076 /nfs/dbraw/zinc/48/40/76/581484076.db2.gz KURBOBFWQXPMTJ-BZUAXINKSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2ccccc2)n1 ZINC000774120943 581484399 /nfs/dbraw/zinc/48/43/99/581484399.db2.gz WCYDKBQLYGPAPW-OAGGEKHMSA-N 1 0 330.388 2.598 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000774132360 581484754 /nfs/dbraw/zinc/48/47/54/581484754.db2.gz AETSHFDAMNHKNY-OWCLPIDISA-N 1 0 335.452 2.739 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2cccc(F)c2)n1 ZINC000774148159 581485618 /nfs/dbraw/zinc/48/56/18/581485618.db2.gz PSTWNTBDIPQXLM-BZUAXINKSA-N 1 0 348.378 2.737 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774167432 581486281 /nfs/dbraw/zinc/48/62/81/581486281.db2.gz CZZSTJGTEVFNBY-CJNGLKHVSA-N 1 0 333.388 2.793 20 5 EFBDRO Cc1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774257520 581488221 /nfs/dbraw/zinc/48/82/21/581488221.db2.gz NTAMLXACZXZZOE-GVDBMIGSSA-N 1 0 344.415 2.907 20 5 EFBDRO CC(C)([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000819992246 606205012 /nfs/dbraw/zinc/20/50/12/606205012.db2.gz SETJOEHTCVJVNG-UHFFFAOYSA-N 1 0 344.400 2.861 20 5 EFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824606214 607983378 /nfs/dbraw/zinc/98/33/78/607983378.db2.gz OTOMYVCFWMTJFA-LBPRGKRZSA-N 1 0 338.371 2.668 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])C1 ZINC000823690204 1265415608 /nfs/dbraw/zinc/41/56/08/1265415608.db2.gz NPAPBJBAJRLZJC-SECBINFHSA-N 1 0 346.200 2.884 20 5 EFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000701046072 1250186595 /nfs/dbraw/zinc/18/65/95/1250186595.db2.gz BCDQIBYVNXBDHF-UHFFFAOYSA-N 1 0 333.775 2.849 20 5 EFBDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000850414418 1250473371 /nfs/dbraw/zinc/47/33/71/1250473371.db2.gz XKERXRGBAFFVOE-UHFFFAOYSA-N 1 0 340.383 2.804 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850424829 1250481713 /nfs/dbraw/zinc/48/17/13/1250481713.db2.gz MAZKJXWKIINQGQ-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000850438193 1250487329 /nfs/dbraw/zinc/48/73/29/1250487329.db2.gz WLKRMGBHDJMKDZ-XFNZEKPQSA-N 1 0 328.434 2.801 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000850468510 1250496007 /nfs/dbraw/zinc/49/60/07/1250496007.db2.gz HYMFDEXNXYOTHT-POHZPAGDSA-N 1 0 344.367 2.749 20 5 EFBDRO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850538369 1250528301 /nfs/dbraw/zinc/52/83/01/1250528301.db2.gz ZOGJWBAXOPVDQJ-IINYFYTJSA-N 1 0 331.347 2.970 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850720632 1250577949 /nfs/dbraw/zinc/57/79/49/1250577949.db2.gz GBNNNIAXHFISQO-JZLODUJNSA-N 1 0 343.427 2.846 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850720631 1250578400 /nfs/dbraw/zinc/57/84/00/1250578400.db2.gz GBNNNIAXHFISQO-CTEOGUNLSA-N 1 0 343.427 2.846 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C[NH3+])C1 ZINC000850740760 1250589779 /nfs/dbraw/zinc/58/97/79/1250589779.db2.gz CJUPKBDSNQCTOJ-ZJUUUORDSA-N 1 0 326.784 2.839 20 5 EFBDRO CC1([NH3+])CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000704561708 1250890282 /nfs/dbraw/zinc/89/02/82/1250890282.db2.gz WWRXBNRTWFOAPZ-UHFFFAOYSA-N 1 0 328.210 2.671 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466487 1251014800 /nfs/dbraw/zinc/01/48/00/1251014800.db2.gz UAFHQCSCVDLQQJ-SFHVURJKSA-N 1 0 340.379 2.955 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C/CNC(=O)CCCC[NH+](C)C)c1 ZINC001107268980 1255485514 /nfs/dbraw/zinc/48/55/14/1255485514.db2.gz FWSJAGPQBZPPHZ-AATRIKPKSA-N 1 0 348.447 2.719 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(C2CC2)CC1 ZINC000996705835 1255765620 /nfs/dbraw/zinc/76/56/20/1255765620.db2.gz IMOYLHINNDYUNJ-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(C2CC2)CC1 ZINC000996698726 1255768524 /nfs/dbraw/zinc/76/85/24/1255768524.db2.gz FPGMEQLBUKGGLX-UHFFFAOYSA-N 1 0 343.427 2.866 20 5 EFBDRO C[N@H+](CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001107513699 1256021494 /nfs/dbraw/zinc/02/14/94/1256021494.db2.gz JTRZCCBVDJDURD-WAYWQWQTSA-N 1 0 348.447 2.657 20 5 EFBDRO CC1(CC(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000996811409 1256129605 /nfs/dbraw/zinc/12/96/05/1256129605.db2.gz MOHYXPHDWUVAOO-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1sccc1Cl ZINC001127850476 1256646699 /nfs/dbraw/zinc/64/66/99/1256646699.db2.gz HQHQFBQSQGRMBU-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CCC1 ZINC000997019758 1256705046 /nfs/dbraw/zinc/70/50/46/1256705046.db2.gz GUIDRZBHKAWCPT-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO COc1nc(C)c(N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168548538 1257125254 /nfs/dbraw/zinc/12/52/54/1257125254.db2.gz HSSWPACTODLUNO-LBPRGKRZSA-N 1 0 328.372 2.891 20 5 EFBDRO O=C(c1ccc[nH]1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997535932 1257907319 /nfs/dbraw/zinc/90/73/19/1257907319.db2.gz BCLGCIADTROGEE-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997662706 1258194555 /nfs/dbraw/zinc/19/45/55/1258194555.db2.gz HMCFQKVZFWGASG-LZWSPWQCSA-N 1 0 331.416 2.889 20 5 EFBDRO O=C(c1cc[nH]c1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997796935 1258430143 /nfs/dbraw/zinc/43/01/43/1258430143.db2.gz KZBQMJVOCSMDDX-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO O=C(C1CC1)N1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946432843 1258774865 /nfs/dbraw/zinc/77/48/65/1258774865.db2.gz CHDWEZKUIYHGHD-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000708550635 1259765735 /nfs/dbraw/zinc/76/57/35/1259765735.db2.gz KLZPXGKUTUDSIT-CYBMUJFWSA-N 1 0 329.194 2.560 20 5 EFBDRO CC[C@@H](CN1CCOCC1)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922591970 1266397967 /nfs/dbraw/zinc/39/79/67/1266397967.db2.gz JWPBTTMXOMEJSO-HKBKRHGFSA-N 1 0 333.432 2.699 20 5 EFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000923346404 1261534033 /nfs/dbraw/zinc/53/40/33/1261534033.db2.gz XLZXYGNJVKIPGW-HZMBPMFUSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923393119 1261599258 /nfs/dbraw/zinc/59/92/58/1261599258.db2.gz NZQSBGOUAOBACS-ONGXEEELSA-N 1 0 328.210 2.669 20 5 EFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923393118 1261599307 /nfs/dbraw/zinc/59/93/07/1261599307.db2.gz NZQSBGOUAOBACS-MWLCHTKSSA-N 1 0 328.210 2.669 20 5 EFBDRO CN(C)C(=O)c1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000921939782 1263602366 /nfs/dbraw/zinc/60/23/66/1263602366.db2.gz HDLDUINKQOKOEU-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002719605 1263974585 /nfs/dbraw/zinc/97/45/85/1263974585.db2.gz GZLASSJTNWAQKD-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824657761 1278220760 /nfs/dbraw/zinc/22/07/60/1278220760.db2.gz FSNIQGFSMFTGJC-KBRIMQKVSA-N 1 0 345.443 2.935 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824657760 1278220792 /nfs/dbraw/zinc/22/07/92/1278220792.db2.gz FSNIQGFSMFTGJC-COXVUDFISA-N 1 0 345.443 2.935 20 5 EFBDRO CN(CC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000730803024 1264441768 /nfs/dbraw/zinc/44/17/68/1264441768.db2.gz AOPYPFUAOGBFQA-UHFFFAOYSA-N 1 0 339.399 2.970 20 5 EFBDRO Cc1cccc(C)c1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128396124 1264603829 /nfs/dbraw/zinc/60/38/29/1264603829.db2.gz UUZCTQICGBAWRQ-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000824765051 1278270282 /nfs/dbraw/zinc/27/02/82/1278270282.db2.gz SERNFBVEDFFALL-NUEKZKHPSA-N 1 0 331.416 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c(F)c1 ZINC000922708297 1266630044 /nfs/dbraw/zinc/63/00/44/1266630044.db2.gz GLZZIHYJXNKVLM-LBPRGKRZSA-N 1 0 335.301 2.850 20 5 EFBDRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000922738500 1266689449 /nfs/dbraw/zinc/68/94/49/1266689449.db2.gz VKTFRAHAIVOQNB-BPZRQAJTSA-N 1 0 332.404 2.580 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922794689 1266835588 /nfs/dbraw/zinc/83/55/88/1266835588.db2.gz WUYWZGAOQXSOHC-CYBMUJFWSA-N 1 0 339.367 2.833 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000734152174 1266883861 /nfs/dbraw/zinc/88/38/61/1266883861.db2.gz QTFISQAAZZYSQI-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000735562394 1267366055 /nfs/dbraw/zinc/36/60/55/1267366055.db2.gz KKYSUPOMHZFRMZ-OAHLLOKOSA-N 1 0 339.823 2.545 20 5 EFBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825046438 1278395901 /nfs/dbraw/zinc/39/59/01/1278395901.db2.gz UESRLSQXYMQUBQ-CQSZACIVSA-N 1 0 343.431 2.518 20 5 EFBDRO CN(C(=O)C(C)(C)F)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005030089 1268428818 /nfs/dbraw/zinc/42/88/18/1268428818.db2.gz CNLANYMJXQMNEN-UHFFFAOYSA-N 1 0 337.395 2.766 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)C2CCSCC2)c1 ZINC000825130283 1278424487 /nfs/dbraw/zinc/42/44/87/1278424487.db2.gz RPJUZYARDSWMNO-UHFFFAOYSA-N 1 0 330.837 2.938 20 5 EFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000739700266 1268736271 /nfs/dbraw/zinc/73/62/71/1268736271.db2.gz FLTTTXTWXPQQGQ-CQSZACIVSA-N 1 0 333.432 2.863 20 5 EFBDRO CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](CC)CC ZINC000791936907 1278442390 /nfs/dbraw/zinc/44/23/90/1278442390.db2.gz CKLVGJRELWAXSR-CYBMUJFWSA-N 1 0 339.348 2.667 20 5 EFBDRO CN(C(=O)c1ccoc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005112437 1268872102 /nfs/dbraw/zinc/87/21/02/1268872102.db2.gz ZURHOOBMESAQOI-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115763 1269278296 /nfs/dbraw/zinc/27/82/96/1269278296.db2.gz UMQNNVJHNGZOGS-NSHDSACASA-N 1 0 338.170 2.585 20 5 EFBDRO CSc1nc(Cl)nc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155117356 1269292799 /nfs/dbraw/zinc/29/27/99/1269292799.db2.gz POXKXVYXAJFEBY-GFCCVEGCSA-N 1 0 349.819 2.654 20 5 EFBDRO Cc1ccoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086029165 1269586096 /nfs/dbraw/zinc/58/60/96/1269586096.db2.gz YXNGYCBZSDTRHD-BJHJDKERSA-N 1 0 349.412 2.856 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000741752266 1269687075 /nfs/dbraw/zinc/68/70/75/1269687075.db2.gz NXANQBSHHCIMFO-KOLCDFICSA-N 1 0 326.784 2.852 20 5 EFBDRO C[C@@H]1C[C@H](O)CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311839 1278514769 /nfs/dbraw/zinc/51/47/69/1278514769.db2.gz OQGAICJRULSIKT-ZJUUUORDSA-N 1 0 329.194 2.560 20 5 EFBDRO O=[N+]([O-])c1cn(CN2CC[C@H](c3ccco3)C2)nc1-c1ccncc1 ZINC000742147886 1269901727 /nfs/dbraw/zinc/90/17/27/1269901727.db2.gz PBIDRRLOBUQGBD-AWEZNQCLSA-N 1 0 339.355 2.893 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000742164055 1269908578 /nfs/dbraw/zinc/90/85/78/1269908578.db2.gz XDHPGJDTGCFCCS-ZDUSSCGKSA-N 1 0 346.412 2.776 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000742393451 1270020678 /nfs/dbraw/zinc/02/06/78/1270020678.db2.gz MCXTWIKCMQERTN-OLZOCXBDSA-N 1 0 346.387 2.590 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000742393455 1270021394 /nfs/dbraw/zinc/02/13/94/1270021394.db2.gz MCXTWIKCMQERTN-STQMWFEESA-N 1 0 346.387 2.590 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086169577 1270319953 /nfs/dbraw/zinc/31/99/53/1270319953.db2.gz XZJTWOJAWNBARO-OTVXOJSOSA-N 1 0 343.383 2.794 20 5 EFBDRO COc1ccnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171091175 1278567165 /nfs/dbraw/zinc/56/71/65/1278567165.db2.gz PVVLHLGSJHEYSH-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO Cc1nn(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000743378111 1270569917 /nfs/dbraw/zinc/56/99/17/1270569917.db2.gz VXJBQDWAWSKITO-KRWDZBQOSA-N 1 0 343.431 2.572 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC4(C3)CCOCC4)c2)cc1 ZINC000743406301 1270576146 /nfs/dbraw/zinc/57/61/46/1270576146.db2.gz UFDKYOFMLYIOPX-UHFFFAOYSA-N 1 0 342.399 2.918 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001086291600 1270845814 /nfs/dbraw/zinc/84/58/14/1270845814.db2.gz OHUAPNOTYGLVNL-KOMQPUFPSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC001086291589 1270846560 /nfs/dbraw/zinc/84/65/60/1270846560.db2.gz NPAGGTPEABKJQG-YEORSEQZSA-N 1 0 337.445 2.831 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC001086291498 1270846701 /nfs/dbraw/zinc/84/67/01/1270846701.db2.gz JUBYWPJWRVKXKX-KOMQPUFPSA-N 1 0 331.416 2.769 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC001086330918 1271009661 /nfs/dbraw/zinc/00/96/61/1271009661.db2.gz UICUQFZVYBHWLK-KOMQPUFPSA-N 1 0 329.400 2.545 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC=CC1 ZINC001086330909 1271010016 /nfs/dbraw/zinc/01/00/16/1271010016.db2.gz UEVXAEZMBWBHQV-SAZUREKKSA-N 1 0 329.400 2.545 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171095123 1278644011 /nfs/dbraw/zinc/64/40/11/1278644011.db2.gz KMVVMTMDVATGGA-NSHDSACASA-N 1 0 337.383 2.791 20 5 EFBDRO Cc1ncn(-c2ccc3cnccc3c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790879 1272281989 /nfs/dbraw/zinc/28/19/89/1272281989.db2.gz XXBIBNWAFZTJHU-UHFFFAOYSA-N 1 0 343.412 2.829 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001034592352 1272342570 /nfs/dbraw/zinc/34/25/70/1272342570.db2.gz ULFTYPAAMKNUDB-SHTZXODSSA-N 1 0 342.399 2.754 20 5 EFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168823047 1272424586 /nfs/dbraw/zinc/42/45/86/1272424586.db2.gz YZFUVKSAQPDBOR-SNVBAGLBSA-N 1 0 336.779 2.567 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001168833978 1272432947 /nfs/dbraw/zinc/43/29/47/1272432947.db2.gz ASKQLTIGCUTMEX-UHFFFAOYSA-N 1 0 336.355 2.544 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168834984 1272434780 /nfs/dbraw/zinc/43/47/80/1272434780.db2.gz VMWAQNINVWAXOZ-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc([N+](=O)[O-])c4ccccc43)n2)c1 ZINC001168888173 1272461655 /nfs/dbraw/zinc/46/16/55/1272461655.db2.gz WPTVWQLWNCFVQU-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168979903 1272549304 /nfs/dbraw/zinc/54/93/04/1272549304.db2.gz CAYCLEKZZHXVBU-UONOGXRCSA-N 1 0 341.452 2.859 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC001168961236 1272556900 /nfs/dbraw/zinc/55/69/00/1272556900.db2.gz IGTQEEOGTZAXOX-GYSYKLTISA-N 1 0 343.221 2.518 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC001168961538 1272556957 /nfs/dbraw/zinc/55/69/57/1272556957.db2.gz IUVPBBBQBIJODC-DDTOSNHZSA-N 1 0 343.221 2.518 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC001168964969 1272557795 /nfs/dbraw/zinc/55/77/95/1272557795.db2.gz WXFBPSKIOIWUAP-DDTOSNHZSA-N 1 0 343.221 2.518 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC001168964970 1272557890 /nfs/dbraw/zinc/55/78/90/1272557890.db2.gz WXFBPSKIOIWUAP-HONMWMINSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)NCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963628 1272557991 /nfs/dbraw/zinc/55/79/91/1272557991.db2.gz PGESYTDFDMYIOM-UONOGXRCSA-N 1 0 329.441 2.716 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964778 1272558046 /nfs/dbraw/zinc/55/80/46/1272558046.db2.gz WCGVYVRMQOBCNP-KGLIPLIRSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964777 1272558062 /nfs/dbraw/zinc/55/80/62/1272558062.db2.gz WCGVYVRMQOBCNP-KBPBESRZSA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963918 1272558366 /nfs/dbraw/zinc/55/83/66/1272558366.db2.gz QNPMODFAWSAQSM-BARDWOONSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168967022 1272559427 /nfs/dbraw/zinc/55/94/27/1272559427.db2.gz MTKBFFHMLFUWRW-KEYYUXOJSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967889 1272559887 /nfs/dbraw/zinc/55/98/87/1272559887.db2.gz UJHIAOVYUJTRLQ-RRFJBIMHSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001168966815 1272560013 /nfs/dbraw/zinc/56/00/13/1272560013.db2.gz LHASTIKBFJAUEK-YJBOKZPZSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccc(F)cc2)C1 ZINC001168993351 1272570514 /nfs/dbraw/zinc/57/05/14/1272570514.db2.gz MVEIMMVDLHSJJN-ZBFHGGJFSA-N 1 0 332.379 2.606 20 5 EFBDRO COc1ccccc1C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998537 1272574674 /nfs/dbraw/zinc/57/46/74/1272574674.db2.gz OJPDGBVQXOUZPY-HUUCEWRRSA-N 1 0 334.416 2.736 20 5 EFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997953 1272575365 /nfs/dbraw/zinc/57/53/65/1272575365.db2.gz GTEVYEVTTAHJIN-HZPDHXFCSA-N 1 0 331.416 2.739 20 5 EFBDRO COCCOc1c(F)cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001168998257 1272575414 /nfs/dbraw/zinc/57/54/14/1272575414.db2.gz KOHGBUDAGDVTNR-WCQYABFASA-N 1 0 344.358 2.525 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCOCC2)C1 ZINC001169000950 1272577119 /nfs/dbraw/zinc/57/71/19/1272577119.db2.gz ZSXVKOIOJWDTPD-ZBFHGGJFSA-N 1 0 336.407 2.952 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)ccc2Br)C1 ZINC001169000711 1272577356 /nfs/dbraw/zinc/57/73/56/1272577356.db2.gz AJDISHTUTACZET-ZYHUDNBSSA-N 1 0 343.221 2.732 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)ccc2Br)C1 ZINC001169000708 1272577454 /nfs/dbraw/zinc/57/74/54/1272577454.db2.gz AJDISHTUTACZET-CMPLNLGQSA-N 1 0 343.221 2.732 20 5 EFBDRO COc1cccc(CC2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001169000027 1272577517 /nfs/dbraw/zinc/57/75/17/1272577517.db2.gz WXPSMWOKBHCEMS-IAGOWNOFSA-N 1 0 348.443 2.822 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006762 1272580698 /nfs/dbraw/zinc/58/06/98/1272580698.db2.gz YVIJWYVUBFYJOO-KFWWJZLASA-N 1 0 343.468 2.961 20 5 EFBDRO CCOc1ccccc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006195 1272581555 /nfs/dbraw/zinc/58/15/55/1272581555.db2.gz FZAPSPMEDJQFAM-HOTGVXAUSA-N 1 0 333.432 2.653 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169014368 1272584342 /nfs/dbraw/zinc/58/43/42/1272584342.db2.gz YTBJELDEZZMYRN-VBQJREDUSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011347 1272584862 /nfs/dbraw/zinc/58/48/62/1272584862.db2.gz KABSSAJQINCGNP-KBPBESRZSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC12C[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011036 1272585474 /nfs/dbraw/zinc/58/54/74/1272585474.db2.gz HMKABMACXWTCIO-KGLIPLIRSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169011605 1272585560 /nfs/dbraw/zinc/58/55/60/1272585560.db2.gz LJRIWZCWLYEDLD-UONOGXRCSA-N 1 0 339.436 2.517 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001169014426 1272585658 /nfs/dbraw/zinc/58/56/58/1272585658.db2.gz ZPGBDCKNJUMEMF-APIJFGDWSA-N 1 0 341.452 2.667 20 5 EFBDRO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012420 1272585791 /nfs/dbraw/zinc/58/57/91/1272585791.db2.gz QAKHLYNOILAQRJ-DZGCQCFKSA-N 1 0 344.415 2.824 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011110 1272585839 /nfs/dbraw/zinc/58/58/39/1272585839.db2.gz IKOUXZVCGILBED-ZQDZILKHSA-N 1 0 339.436 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987517 1272588375 /nfs/dbraw/zinc/58/83/75/1272588375.db2.gz JIMOMBRMYXSMKH-UXXRCYHCSA-N 1 0 339.436 2.562 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168988071 1272588399 /nfs/dbraw/zinc/58/83/99/1272588399.db2.gz NHICZNQOZQLZBO-MCIONIFRSA-N 1 0 343.468 2.961 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168988073 1272588765 /nfs/dbraw/zinc/58/87/65/1272588765.db2.gz NHICZNQOZQLZBO-RDBSUJKOSA-N 1 0 343.468 2.961 20 5 EFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987515 1272588772 /nfs/dbraw/zinc/58/87/72/1272588772.db2.gz JIMOMBRMYXSMKH-BTFPBAQTSA-N 1 0 339.436 2.562 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168988407 1272589017 /nfs/dbraw/zinc/58/90/17/1272589017.db2.gz RXSMBSFNLPRRJE-GXFFZTMASA-N 1 0 326.780 2.662 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1Br ZINC001168986769 1272589067 /nfs/dbraw/zinc/58/90/67/1272589067.db2.gz ZBGHMRXIIIHRQY-VXGBXAGGSA-N 1 0 343.221 2.993 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168986758 1272589280 /nfs/dbraw/zinc/58/92/80/1272589280.db2.gz ZAOAXVVWMFDWCF-KKUMJFAQSA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)C1 ZINC001169027869 1272592624 /nfs/dbraw/zinc/59/26/24/1272592624.db2.gz RJAJPEJHKHBQGV-MRVWCRGKSA-N 1 0 326.343 2.863 20 5 EFBDRO CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169033676 1272596687 /nfs/dbraw/zinc/59/66/87/1272596687.db2.gz DIIGLKYMBZXLGG-AAEUAGOBSA-N 1 0 338.429 2.728 20 5 EFBDRO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034538 1272597164 /nfs/dbraw/zinc/59/71/64/1272597164.db2.gz HLIOXBPYURRMTI-KKUMJFAQSA-N 1 0 341.452 2.621 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC001169034026 1272597454 /nfs/dbraw/zinc/59/74/54/1272597454.db2.gz FFRYCTIVGDNROZ-AKHDSKFASA-N 1 0 329.444 2.638 20 5 EFBDRO CC[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169034584 1272597489 /nfs/dbraw/zinc/59/74/89/1272597489.db2.gz IAYMXWPTDIBTGT-SOUVJXGZSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034951 1272599063 /nfs/dbraw/zinc/59/90/63/1272599063.db2.gz ITEBMNYOTUIHHO-QLFBSQMISA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169036457 1272600598 /nfs/dbraw/zinc/60/05/98/1272600598.db2.gz OLWSKCASRLIRTP-UONOGXRCSA-N 1 0 339.436 2.517 20 5 EFBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169037543 1272603217 /nfs/dbraw/zinc/60/32/17/1272603217.db2.gz SEDOFOLAONWQEW-XGUBFFRZSA-N 1 0 341.452 2.762 20 5 EFBDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036979 1272603355 /nfs/dbraw/zinc/60/33/55/1272603355.db2.gz HTJRMFYOHCZOPC-BPLDGKMQSA-N 1 0 334.416 2.721 20 5 EFBDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038859 1272604831 /nfs/dbraw/zinc/60/48/31/1272604831.db2.gz LBAMLPVQSUWYAE-LEUOFYLZSA-N 1 0 345.443 2.555 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038332 1272604980 /nfs/dbraw/zinc/60/49/80/1272604980.db2.gz YDDUQFGHYPFUED-ZWNOBZJWSA-N 1 0 329.322 2.904 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001169038338 1272605875 /nfs/dbraw/zinc/60/58/75/1272605875.db2.gz YFWCXCGOZZCOIW-GJZGRUSLSA-N 1 0 328.416 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169038366 1272606687 /nfs/dbraw/zinc/60/66/87/1272606687.db2.gz YIBQLMKMLPQPOV-ZIAGYGMSSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039839 1272608560 /nfs/dbraw/zinc/60/85/60/1272608560.db2.gz UREZACGSHHJFJE-KGLIPLIRSA-N 1 0 329.441 2.667 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001169042507 1272612714 /nfs/dbraw/zinc/61/27/14/1272612714.db2.gz FFRYCTIVGDNROZ-MANSERQUSA-N 1 0 329.444 2.638 20 5 EFBDRO O=C(C1CCCCC1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169045629 1272613231 /nfs/dbraw/zinc/61/32/31/1272613231.db2.gz JOPZPUFUXKLVAL-RDJZCZTQSA-N 1 0 337.464 2.546 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001169026406 1272623764 /nfs/dbraw/zinc/62/37/64/1272623764.db2.gz LSLGWGPKGVPJBM-YJBOKZPZSA-N 1 0 326.400 2.924 20 5 EFBDRO O=C(Nc1ccccc1)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046902 1272625466 /nfs/dbraw/zinc/62/54/66/1272625466.db2.gz OGLYXCXPERVOTQ-RHSMWYFYSA-N 1 0 346.431 2.718 20 5 EFBDRO CCOC(=O)C1(C(C)C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046723 1272625520 /nfs/dbraw/zinc/62/55/20/1272625520.db2.gz MHHGOLLADNKOEQ-CABCVRRESA-N 1 0 326.437 2.733 20 5 EFBDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047051 1272625979 /nfs/dbraw/zinc/62/59/79/1272625979.db2.gz QLVPLZOLOVPTMY-USXIJHARSA-N 1 0 334.416 2.886 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169047451 1272626009 /nfs/dbraw/zinc/62/60/09/1272626009.db2.gz RALIELAQTUMDBP-GJZGRUSLSA-N 1 0 341.452 2.765 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169048735 1272626983 /nfs/dbraw/zinc/62/69/83/1272626983.db2.gz BCWFLYVYLNECHV-RCCFBDPRSA-N 1 0 346.427 2.887 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047915 1272627549 /nfs/dbraw/zinc/62/75/49/1272627549.db2.gz SMQFMRJTCYXZEM-KBXIAJHMSA-N 1 0 341.452 2.762 20 5 EFBDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050032 1272629102 /nfs/dbraw/zinc/62/91/02/1272629102.db2.gz YGQWJBBVKQJSIV-KGLIPLIRSA-N 1 0 329.441 2.669 20 5 EFBDRO C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050031 1272629610 /nfs/dbraw/zinc/62/96/10/1272629610.db2.gz YGQWJBBVKQJSIV-KBPBESRZSA-N 1 0 329.441 2.669 20 5 EFBDRO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056795 1272633041 /nfs/dbraw/zinc/63/30/41/1272633041.db2.gz SOWAWFFDLTUABG-RVKKMQEKSA-N 1 0 335.423 2.950 20 5 EFBDRO CC1(C)C[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169136750 1272696309 /nfs/dbraw/zinc/69/63/09/1272696309.db2.gz HNZMFOJNMMBBAM-OTYXRUKQSA-N 1 0 327.816 2.994 20 5 EFBDRO COc1nc(C)nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169138937 1272696717 /nfs/dbraw/zinc/69/67/17/1272696717.db2.gz WVVOSTMKNYRXIN-BDJLRTHQSA-N 1 0 337.424 2.657 20 5 EFBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C[C@](C)(C[NH3+])C1 ZINC001169147718 1272711152 /nfs/dbraw/zinc/71/11/52/1272711152.db2.gz SSGBUBRREOTMIT-ZMZPIMSZSA-N 1 0 346.431 2.794 20 5 EFBDRO CCOC(=O)c1cc(-n2ncc3c2cccc3C[NH3+])ccc1[N+](=O)[O-] ZINC001169193442 1272732365 /nfs/dbraw/zinc/73/23/65/1272732365.db2.gz WABOIICMMCNSHI-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncccc1[N+](=O)[O-] ZINC001169173284 1272737678 /nfs/dbraw/zinc/73/76/78/1272737678.db2.gz BTYSFSKCMCBYKK-UHFFFAOYSA-N 1 0 326.356 2.752 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCc3ccccc3[C@@H]1O)C[NH2+]C2 ZINC001169619180 1273059811 /nfs/dbraw/zinc/05/98/11/1273059811.db2.gz HWQFSNRIRFWSAG-YJBOKZPZSA-N 1 0 325.368 2.658 20 5 EFBDRO Cc1c(-n2cc(CC[NH3+])c3ncccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169708593 1273111256 /nfs/dbraw/zinc/11/12/56/1273111256.db2.gz LRMQPFFWEXPQJK-UHFFFAOYSA-N 1 0 341.327 2.652 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)cc1OC ZINC001169718715 1273118353 /nfs/dbraw/zinc/11/83/53/1273118353.db2.gz TXIGEFMGSBVRGZ-UHFFFAOYSA-N 1 0 339.392 2.532 20 5 EFBDRO COc1cc2ncnc(NCC[C@H]3CCC[N@H+](C)C3)c2cc1[N+](=O)[O-] ZINC001156377980 1273161471 /nfs/dbraw/zinc/16/14/71/1273161471.db2.gz IOEDNNVSSJPPCM-GFCCVEGCSA-N 1 0 345.403 2.690 20 5 EFBDRO CC(=O)c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000804350126 1273439617 /nfs/dbraw/zinc/43/96/17/1273439617.db2.gz UPDHRVDWXXQKJO-INIZCTEOSA-N 1 0 347.415 2.853 20 5 EFBDRO CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035146767 1273636466 /nfs/dbraw/zinc/63/64/66/1273636466.db2.gz NKHMDKASOUSJNH-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000792546101 1278837522 /nfs/dbraw/zinc/83/75/22/1278837522.db2.gz IQAVKZYSLDKZQP-UHFFFAOYSA-N 1 0 341.323 2.868 20 5 EFBDRO CC(C)c1oncc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170008872 1274354922 /nfs/dbraw/zinc/35/49/22/1274354922.db2.gz QQJBVNUMBOJOCY-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO Cc1ccc(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001109653234 1274522070 /nfs/dbraw/zinc/52/20/70/1274522070.db2.gz PJFKIHQWAXLHPU-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000786076310 1275305734 /nfs/dbraw/zinc/30/57/34/1275305734.db2.gz BWMASKPDKZCGDB-UHFFFAOYSA-N 1 0 341.371 2.847 20 5 EFBDRO CC(C)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000786156815 1275314946 /nfs/dbraw/zinc/31/49/46/1275314946.db2.gz LQJCTPUAASOWOL-UHFFFAOYSA-N 1 0 346.387 2.940 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786170258 1275331861 /nfs/dbraw/zinc/33/18/61/1275331861.db2.gz QVQXFUBTNBYBDN-UHFFFAOYSA-N 1 0 335.404 2.637 20 5 EFBDRO Cc1cccc(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)c1 ZINC000786574758 1275448397 /nfs/dbraw/zinc/44/83/97/1275448397.db2.gz PMGUHDCIUREJLT-UHFFFAOYSA-N 1 0 326.400 2.808 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000786810760 1275549527 /nfs/dbraw/zinc/54/95/27/1275549527.db2.gz AKHKKLNFUPPFQX-JLHYYAGUSA-N 1 0 340.445 2.801 20 5 EFBDRO O=C(OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884180 1275583172 /nfs/dbraw/zinc/58/31/72/1275583172.db2.gz PYLYOVFZXVZCIY-QGZVFWFLSA-N 1 0 348.399 2.924 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294789 1278978362 /nfs/dbraw/zinc/97/83/62/1278978362.db2.gz RTYOPBSLVJQXJD-SCLBCKFNSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170298089 1278980683 /nfs/dbraw/zinc/98/06/83/1278980683.db2.gz ZSGQKELAKSYVSB-ZDUSSCGKSA-N 1 0 349.431 2.573 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170299011 1278982386 /nfs/dbraw/zinc/98/23/86/1278982386.db2.gz PMZGGUPLCVOCAC-XIKOKIGWSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170300098 1278983889 /nfs/dbraw/zinc/98/38/89/1278983889.db2.gz WXXNIGOLDDITKC-CXAGYDPISA-N 1 0 330.384 2.858 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787689747 1275861282 /nfs/dbraw/zinc/86/12/82/1275861282.db2.gz UOTYYBWPUQDHBH-IBGZPJMESA-N 1 0 346.475 2.980 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170304498 1278990575 /nfs/dbraw/zinc/99/05/75/1278990575.db2.gz CPVYUIGVOQQKGS-QWHCGFSZSA-N 1 0 330.388 2.545 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC001170305606 1278991626 /nfs/dbraw/zinc/99/16/26/1278991626.db2.gz NUTPAZSTGMWEPM-ZDUSSCGKSA-N 1 0 345.399 2.770 20 5 EFBDRO COc1ccc(C[C@H](C)N(C(N)=[NH2+])c2ccccc2)c([N+](=O)[O-])c1 ZINC001170305320 1278991909 /nfs/dbraw/zinc/99/19/09/1278991909.db2.gz JCGHMBMPKWFBPK-LBPRGKRZSA-N 1 0 328.372 2.934 20 5 EFBDRO Cc1cc(Cl)c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170279708 1278995310 /nfs/dbraw/zinc/99/53/10/1278995310.db2.gz IVHCDQNUEGHGLZ-UMVBOHGHSA-N 1 0 343.811 2.693 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788121602 1276042651 /nfs/dbraw/zinc/04/26/51/1276042651.db2.gz RQCFAWVBQKYZDN-ZFWWWQNUSA-N 1 0 343.383 2.789 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncc(F)cc2F)c([N+](=O)[O-])c1 ZINC001170306187 1279005309 /nfs/dbraw/zinc/00/53/09/1279005309.db2.gz RGULQMDXJPJIIT-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170311009 1279006328 /nfs/dbraw/zinc/00/63/28/1279006328.db2.gz YJQGNYPTPHLMCH-FDMSEYEVSA-N 1 0 348.321 2.580 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170311354 1279006871 /nfs/dbraw/zinc/00/68/71/1279006871.db2.gz AVRKJDBQRWMYCV-HQOQDVMHSA-N 1 0 342.395 2.782 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(OC)n2)c([N+](=O)[O-])c1 ZINC001170312232 1279007682 /nfs/dbraw/zinc/00/76/82/1279007682.db2.gz FJDVUJZSSVPNHL-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2ccsc2)n1 ZINC000788435728 1276164888 /nfs/dbraw/zinc/16/48/88/1276164888.db2.gz HNQNCIDCRCFNQK-MJBXVCDLSA-N 1 0 336.417 2.660 20 5 EFBDRO Cc1c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000788471687 1276188219 /nfs/dbraw/zinc/18/82/19/1276188219.db2.gz NEOGLECNVUDREC-INIZCTEOSA-N 1 0 330.388 2.572 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788583134 1276232786 /nfs/dbraw/zinc/23/27/86/1276232786.db2.gz JVYWAJHPLZNDHA-CYBMUJFWSA-N 1 0 342.399 2.534 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000844479176 1279013806 /nfs/dbraw/zinc/01/38/06/1279013806.db2.gz YOOCEIYGEKGBKT-QWHCGFSZSA-N 1 0 338.791 2.879 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788634484 1276250482 /nfs/dbraw/zinc/25/04/82/1276250482.db2.gz ZGCPTTBWDRJLAY-WFASDCNBSA-N 1 0 346.431 2.619 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170323700 1279014505 /nfs/dbraw/zinc/01/45/05/1279014505.db2.gz LNVFRVMJMNAVGK-CYBMUJFWSA-N 1 0 342.399 2.646 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170325587 1279017042 /nfs/dbraw/zinc/01/70/42/1279017042.db2.gz WFZYKSDOPCQJJO-YVEFUNNKSA-N 1 0 348.374 2.997 20 5 EFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788755607 1276290622 /nfs/dbraw/zinc/29/06/22/1276290622.db2.gz FYNYBPSPSJHMBH-CZUORRHYSA-N 1 0 329.400 2.740 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170326455 1279018355 /nfs/dbraw/zinc/01/83/55/1279018355.db2.gz JXHLHSIIBUDAAV-LBPRGKRZSA-N 1 0 344.367 2.713 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801730 1276316791 /nfs/dbraw/zinc/31/67/91/1276316791.db2.gz ZBHOFUDYNVXQEF-WDEREUQCSA-N 1 0 338.408 2.741 20 5 EFBDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817867928 1276352633 /nfs/dbraw/zinc/35/26/33/1276352633.db2.gz DCLLATLMPYTWNS-UHFFFAOYSA-N 1 0 345.197 2.606 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352355 1279031428 /nfs/dbraw/zinc/03/14/28/1279031428.db2.gz MHCBPRLSLRGZJV-ZBFHGGJFSA-N 1 0 335.448 2.951 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075650957 1276432330 /nfs/dbraw/zinc/43/23/30/1276432330.db2.gz XFOBRFKEYOTDIK-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075650954 1276432393 /nfs/dbraw/zinc/43/23/93/1276432393.db2.gz XFOBRFKEYOTDIK-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017642 1276433838 /nfs/dbraw/zinc/43/38/38/1276433838.db2.gz LZSPYSYRTRZMLL-MRXNPFEDSA-N 1 0 331.397 2.778 20 5 EFBDRO CCOC(=O)CN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170355258 1279034638 /nfs/dbraw/zinc/03/46/38/1279034638.db2.gz YJOHCYTXOGGYMD-LBPRGKRZSA-N 1 0 336.388 2.562 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170356062 1279035761 /nfs/dbraw/zinc/03/57/61/1279035761.db2.gz VRTPGMQDLGNEDO-CQSZACIVSA-N 1 0 333.432 2.705 20 5 EFBDRO CC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001170894135 1276500932 /nfs/dbraw/zinc/50/09/32/1276500932.db2.gz MIYWLRIRPQTVTI-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818291702 1276504033 /nfs/dbraw/zinc/50/40/33/1276504033.db2.gz SYHGQDSUXQUIBM-NSHDSACASA-N 1 0 337.807 2.852 20 5 EFBDRO CCn1nc(C)c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000818344031 1276511618 /nfs/dbraw/zinc/51/16/18/1276511618.db2.gz HMVGLHZELAJVIR-OAHLLOKOSA-N 1 0 329.404 2.626 20 5 EFBDRO C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000818519541 1276525050 /nfs/dbraw/zinc/52/50/50/1276525050.db2.gz ZVOGGDLGNOBQKG-OTYXRUKQSA-N 1 0 343.786 2.516 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818553543 1276533109 /nfs/dbraw/zinc/53/31/09/1276533109.db2.gz XWIDWJAIEKTPET-UHFFFAOYSA-N 1 0 341.367 2.655 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818560484 1276534784 /nfs/dbraw/zinc/53/47/84/1276534784.db2.gz WKDYTIVZTKQPIY-ZANVPECISA-N 1 0 343.786 2.658 20 5 EFBDRO [NH3+]CCCCCCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000818617165 1276540026 /nfs/dbraw/zinc/54/00/26/1276540026.db2.gz BTKHKZCYPJQYAZ-UHFFFAOYSA-N 1 0 330.388 2.728 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCOc2ccccc2F)cc1 ZINC000818944521 1276554929 /nfs/dbraw/zinc/55/49/29/1276554929.db2.gz LEDNKIVZXYYSEZ-INIZCTEOSA-N 1 0 334.347 2.826 20 5 EFBDRO CCOCc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818951905 1276555992 /nfs/dbraw/zinc/55/59/92/1276555992.db2.gz AWXOPRJXWVKAFU-GOSISDBHSA-N 1 0 330.384 2.955 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000818954432 1276556736 /nfs/dbraw/zinc/55/67/36/1276556736.db2.gz SVFXNLJVEKPLIM-KXBFYZLASA-N 1 0 341.411 2.744 20 5 EFBDRO CCOCc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818952546 1276557345 /nfs/dbraw/zinc/55/73/45/1276557345.db2.gz PFTOTQSESSKXKY-SFHVURJKSA-N 1 0 330.384 2.955 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000818956884 1276558181 /nfs/dbraw/zinc/55/81/81/1276558181.db2.gz ATSPPFNGWPXGRW-MSOLQXFVSA-N 1 0 335.448 2.728 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000818957011 1276558797 /nfs/dbraw/zinc/55/87/97/1276558797.db2.gz PSDDFZNKZOGCKP-KSSFIOAISA-N 1 0 329.400 2.743 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000818980363 1276562418 /nfs/dbraw/zinc/56/24/18/1276562418.db2.gz IVFQLDKHUVJEAG-RTBURBONSA-N 1 0 343.427 2.829 20 5 EFBDRO CCN(CC)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818980428 1276562683 /nfs/dbraw/zinc/56/26/83/1276562683.db2.gz KDJQZVHQVZJFAX-IRXDYDNUSA-N 1 0 347.415 2.894 20 5 EFBDRO COc1ccccc1C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818989768 1276564155 /nfs/dbraw/zinc/56/41/55/1276564155.db2.gz PODBYYYFDVWAIW-KRWDZBQOSA-N 1 0 342.395 2.958 20 5 EFBDRO CCOc1ccccc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819011456 1276571860 /nfs/dbraw/zinc/57/18/60/1276571860.db2.gz QFTHTMADKSBJCC-QGZVFWFLSA-N 1 0 330.384 2.859 20 5 EFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818970023 1276573530 /nfs/dbraw/zinc/57/35/30/1276573530.db2.gz KTLPIZJFDGPTDH-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819040354 1276576821 /nfs/dbraw/zinc/57/68/21/1276576821.db2.gz WZYPABAKUYYBCP-MRXNPFEDSA-N 1 0 331.372 2.602 20 5 EFBDRO Cc1ccccc1OCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819017569 1276591139 /nfs/dbraw/zinc/59/11/39/1276591139.db2.gz JRKGUOCBSIUURZ-KRWDZBQOSA-N 1 0 330.384 2.995 20 5 EFBDRO CCN(C)c1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819034276 1276595320 /nfs/dbraw/zinc/59/53/20/1276595320.db2.gz ZBJWKYHDFRITQS-SFHVURJKSA-N 1 0 329.400 2.874 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819110816 1276634707 /nfs/dbraw/zinc/63/47/07/1276634707.db2.gz JOTXGAXHYRFWKG-YVEFUNNKSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000819113055 1276635410 /nfs/dbraw/zinc/63/54/10/1276635410.db2.gz KXRIFSVPYYHLAA-SJCJKPOMSA-N 1 0 334.347 2.824 20 5 EFBDRO Cc1cccc(F)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819113575 1276636868 /nfs/dbraw/zinc/63/68/68/1276636868.db2.gz SEBROFXWFQRVBE-CQSZACIVSA-N 1 0 334.347 2.572 20 5 EFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819115683 1276637825 /nfs/dbraw/zinc/63/78/25/1276637825.db2.gz NUPLRFJIHKYQIK-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1ccc(O[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819117327 1276638125 /nfs/dbraw/zinc/63/81/25/1276638125.db2.gz FRECLCSTBWORIR-ACJLOTCBSA-N 1 0 346.383 2.694 20 5 EFBDRO O=C(CC[NH2+]CCc1ccc(Cl)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000819158166 1276646623 /nfs/dbraw/zinc/64/66/23/1276646623.db2.gz HGKBHHBDAFEWFG-UHFFFAOYSA-N 1 0 348.790 2.804 20 5 EFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819176152 1276657787 /nfs/dbraw/zinc/65/77/87/1276657787.db2.gz CGARDGZHFJJICL-FZKQIMNGSA-N 1 0 330.384 2.945 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC001134806379 1287232017 /nfs/dbraw/zinc/23/20/17/1287232017.db2.gz HERDJRQWKIPQNA-UHFFFAOYSA-N 1 0 345.833 2.891 20 5 EFBDRO Cc1ccc2c(c1)nc(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)n2C ZINC000819236517 1276678782 /nfs/dbraw/zinc/67/87/82/1276678782.db2.gz JXHNNKVSULJENX-KRWDZBQOSA-N 1 0 340.383 2.613 20 5 EFBDRO CCSc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819244309 1276681942 /nfs/dbraw/zinc/68/19/42/1276681942.db2.gz MTFOPWYVKQQRJB-HNNXBMFYSA-N 1 0 333.413 2.925 20 5 EFBDRO CCSc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819244310 1276682351 /nfs/dbraw/zinc/68/23/51/1276682351.db2.gz MTFOPWYVKQQRJB-OAHLLOKOSA-N 1 0 333.413 2.925 20 5 EFBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819215823 1276692338 /nfs/dbraw/zinc/69/23/38/1276692338.db2.gz OCPONJUGXAYENA-DYVFJYSZSA-N 1 0 345.399 2.990 20 5 EFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819221485 1276694901 /nfs/dbraw/zinc/69/49/01/1276694901.db2.gz KXRZGQRBLNAKSO-QFBILLFUSA-N 1 0 342.395 2.784 20 5 EFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819221483 1276695141 /nfs/dbraw/zinc/69/51/41/1276695141.db2.gz KXRZGQRBLNAKSO-APWZRJJASA-N 1 0 342.395 2.784 20 5 EFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000819221073 1276695173 /nfs/dbraw/zinc/69/51/73/1276695173.db2.gz ICBCQTBLPJOZIA-APWZRJJASA-N 1 0 342.395 2.784 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000819236198 1276701756 /nfs/dbraw/zinc/70/17/56/1276701756.db2.gz DQPHTAFHIIQICY-KYNGSXCRSA-N 1 0 343.427 2.909 20 5 EFBDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000819233905 1276702080 /nfs/dbraw/zinc/70/20/80/1276702080.db2.gz VCBBEFHOZNPKSZ-IRXDYDNUSA-N 1 0 344.367 2.750 20 5 EFBDRO CO[C@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819345975 1276736086 /nfs/dbraw/zinc/73/60/86/1276736086.db2.gz RIPVCIBIAKAUOD-QZTJIDSGSA-N 1 0 330.384 2.780 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000819347998 1276737171 /nfs/dbraw/zinc/73/71/71/1276737171.db2.gz FBWPFIPQUMOGDQ-KBAYOESNSA-N 1 0 343.383 2.533 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000819348516 1276738237 /nfs/dbraw/zinc/73/82/37/1276738237.db2.gz HIAYCCJMLUNOHK-JQHSSLGASA-N 1 0 343.383 2.533 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000819348517 1276739373 /nfs/dbraw/zinc/73/93/73/1276739373.db2.gz HIAYCCJMLUNOHK-KBAYOESNSA-N 1 0 343.383 2.533 20 5 EFBDRO Cc1cccc2c1OC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819321368 1276744421 /nfs/dbraw/zinc/74/44/21/1276744421.db2.gz GFJFXIPUJOOJHA-WBVHZDCISA-N 1 0 328.368 2.530 20 5 EFBDRO CC[C@H](C)N[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000819386743 1276767662 /nfs/dbraw/zinc/76/76/62/1276767662.db2.gz CJIHEPWWZZHQCK-IAOVAPTHSA-N 1 0 347.415 2.940 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819452927 1276774148 /nfs/dbraw/zinc/77/41/48/1276774148.db2.gz OMUUWIRGGCZNBG-GOSISDBHSA-N 1 0 345.399 2.681 20 5 EFBDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000789562519 1276852771 /nfs/dbraw/zinc/85/27/71/1276852771.db2.gz YHBKJYQVXDYDEW-OAHLLOKOSA-N 1 0 333.391 2.713 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000923125238 1276875519 /nfs/dbraw/zinc/87/55/19/1276875519.db2.gz AUCXPPZNZGQNRO-KBRIMQKVSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000820188766 1277065711 /nfs/dbraw/zinc/06/57/11/1277065711.db2.gz QZQPCXJCQLHNQO-HNNXBMFYSA-N 1 0 331.416 2.770 20 5 EFBDRO CC(C)c1ocnc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170332739 1279024739 /nfs/dbraw/zinc/02/47/39/1279024739.db2.gz VTDMUUDNLOLTQN-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170336199 1279025951 /nfs/dbraw/zinc/02/59/51/1279025951.db2.gz VWHGOGZUQLNKBX-OAHLLOKOSA-N 1 0 335.448 2.808 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000820609695 1277242918 /nfs/dbraw/zinc/24/29/18/1277242918.db2.gz SCAXUNLUPBVPIE-LNLFQRSKSA-N 1 0 343.427 2.643 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170306658 1279028883 /nfs/dbraw/zinc/02/88/83/1279028883.db2.gz ZKFYYLDRPPZXNC-SJCJKPOMSA-N 1 0 348.374 2.997 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000820875147 1277355642 /nfs/dbraw/zinc/35/56/42/1277355642.db2.gz XFTWDBNHCDFMIO-GFCCVEGCSA-N 1 0 349.456 2.873 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000790235978 1277389443 /nfs/dbraw/zinc/38/94/43/1277389443.db2.gz CXUUYQCIRLTWCC-CYBMUJFWSA-N 1 0 334.420 2.577 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923271613 1277439861 /nfs/dbraw/zinc/43/98/61/1277439861.db2.gz SAAQCAIUWLHXDC-NUJGCVRESA-N 1 0 345.443 2.859 20 5 EFBDRO [NH3+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923282384 1277477642 /nfs/dbraw/zinc/47/76/42/1277477642.db2.gz VAKCPGIOJAIZQQ-SNVBAGLBSA-N 1 0 328.210 2.528 20 5 EFBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CC[C@@H](C)C1 ZINC000790476365 1277585667 /nfs/dbraw/zinc/58/56/67/1277585667.db2.gz CITWHNJQANCTHB-OCCSQVGLSA-N 1 0 347.419 2.742 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790543118 1277655131 /nfs/dbraw/zinc/65/51/31/1277655131.db2.gz LVFONWOXPRKOIX-LBPRGKRZSA-N 1 0 345.321 2.546 20 5 EFBDRO COc1ccc(C[C@H]2CCCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000844737472 1279244462 /nfs/dbraw/zinc/24/44/62/1279244462.db2.gz DULPAEAOWUWKKE-OAHLLOKOSA-N 1 0 330.388 2.855 20 5 EFBDRO CC(C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000793394833 1279624784 /nfs/dbraw/zinc/62/47/84/1279624784.db2.gz MVACNDWLVYEBGY-UHFFFAOYSA-N 1 0 325.796 2.739 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845466975 1279660038 /nfs/dbraw/zinc/66/00/38/1279660038.db2.gz DLLTUOLZRHNSJG-NSHDSACASA-N 1 0 344.818 2.825 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845730681 1279803206 /nfs/dbraw/zinc/80/32/06/1279803206.db2.gz SIRHDZXZFXAEAH-OAHLLOKOSA-N 1 0 348.399 2.974 20 5 EFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000793744012 1279858665 /nfs/dbraw/zinc/85/86/65/1279858665.db2.gz PFXOIKLGVRCUAT-HNNXBMFYSA-N 1 0 330.388 2.651 20 5 EFBDRO C[C@H](CC(=O)O[C@@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])n1ccnc1 ZINC000845882330 1279905039 /nfs/dbraw/zinc/90/50/39/1279905039.db2.gz SRRJKLISPKCXFS-BFQNTYOBSA-N 1 0 335.335 2.923 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000793930983 1279949053 /nfs/dbraw/zinc/94/90/53/1279949053.db2.gz NXXNPURYABYDAR-CABCVRRESA-N 1 0 345.443 2.916 20 5 EFBDRO O=C1CCCN1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000846086914 1280010843 /nfs/dbraw/zinc/01/08/43/1280010843.db2.gz QDRFEOYMSOCAHB-UHFFFAOYSA-N 1 0 332.187 2.614 20 5 EFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000846313987 1280112249 /nfs/dbraw/zinc/11/22/49/1280112249.db2.gz XWNQXKIXLNATCQ-UHFFFAOYSA-N 1 0 326.784 2.759 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000872021371 1287403214 /nfs/dbraw/zinc/40/32/14/1287403214.db2.gz CGZVKUROHOGFJP-STQMWFEESA-N 1 0 339.461 2.688 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NC(C)C ZINC000872021438 1287403232 /nfs/dbraw/zinc/40/32/32/1287403232.db2.gz PLEQPZQVCDZTEJ-NSHDSACASA-N 1 0 325.434 2.882 20 5 EFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872044386 1287409405 /nfs/dbraw/zinc/40/94/05/1287409405.db2.gz UPFRYGORJZJQTN-NEPJUHHUSA-N 1 0 337.445 2.978 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804524107 1280264838 /nfs/dbraw/zinc/26/48/38/1280264838.db2.gz KDTMYHXXNUUBIU-GXTWGEPZSA-N 1 0 335.379 2.741 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O ZINC000872045350 1287410282 /nfs/dbraw/zinc/41/02/82/1287410282.db2.gz ZSZPYNCAPCGFNQ-MNOVXSKESA-N 1 0 346.474 2.791 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000872045352 1287410374 /nfs/dbraw/zinc/41/03/74/1287410374.db2.gz ZSZPYNCAPCGFNQ-WDEREUQCSA-N 1 0 346.474 2.791 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000804563956 1280287115 /nfs/dbraw/zinc/28/71/15/1280287115.db2.gz GMUISLKATLODLZ-TZMCWYRMSA-N 1 0 346.387 2.956 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Cl ZINC000815290620 1287413676 /nfs/dbraw/zinc/41/36/76/1287413676.db2.gz LPHSKYZRCCHSFL-CVEARBPZSA-N 1 0 340.807 2.658 20 5 EFBDRO CO[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOC1 ZINC000872062386 1287416189 /nfs/dbraw/zinc/41/61/89/1287416189.db2.gz MKPOGKSWFJNLKL-NHYWBVRUSA-N 1 0 326.418 2.773 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872066255 1287417217 /nfs/dbraw/zinc/41/72/17/1287417217.db2.gz LOKNDVXGURGPMJ-QWRGUYRKSA-N 1 0 325.434 2.834 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000872068871 1287418633 /nfs/dbraw/zinc/41/86/33/1287418633.db2.gz JRBCWNIUFZRUQB-RWMBFGLXSA-N 1 0 340.445 2.612 20 5 EFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000846693542 1280420243 /nfs/dbraw/zinc/42/02/43/1280420243.db2.gz ILNMIVYXQPFTRP-MFKMUULPSA-N 1 0 325.796 2.838 20 5 EFBDRO CON1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872081568 1287422355 /nfs/dbraw/zinc/42/23/55/1287422355.db2.gz ZPZXVHBQLAZPAE-NSHDSACASA-N 1 0 325.434 2.993 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000872083577 1287423179 /nfs/dbraw/zinc/42/31/79/1287423179.db2.gz NGNBZQNSFPRMRO-MNOVXSKESA-N 1 0 347.444 2.653 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000872083579 1287423318 /nfs/dbraw/zinc/42/33/18/1287423318.db2.gz NGNBZQNSFPRMRO-WDEREUQCSA-N 1 0 347.444 2.653 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091380001 1280461730 /nfs/dbraw/zinc/46/17/30/1280461730.db2.gz AAFVGJOXEDIAMS-OKILXGFUSA-N 1 0 348.447 2.632 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC001130109156 1280471170 /nfs/dbraw/zinc/47/11/70/1280471170.db2.gz AMPULQYKBDGRPM-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001091395286 1280479852 /nfs/dbraw/zinc/47/98/52/1280479852.db2.gz KSUCORLZRBQJOW-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO CCc1ccccc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130147695 1280497351 /nfs/dbraw/zinc/49/73/51/1280497351.db2.gz LURWNPALDXTIBU-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000846940462 1280628705 /nfs/dbraw/zinc/62/87/05/1280628705.db2.gz KSERJJDUDWFOSV-KRWDZBQOSA-N 1 0 333.432 2.579 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC001157940689 1280671427 /nfs/dbraw/zinc/67/14/27/1280671427.db2.gz VUEANTRTCJVOHW-UHFFFAOYSA-N 1 0 333.845 2.760 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CCC1 ZINC001130316064 1280701593 /nfs/dbraw/zinc/70/15/93/1280701593.db2.gz XNFXNVYHZGKNLY-UHFFFAOYSA-N 1 0 345.321 2.533 20 5 EFBDRO CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001091459026 1280736423 /nfs/dbraw/zinc/73/64/23/1280736423.db2.gz MVFQMXRPNZESSQ-KOMQPUFPSA-N 1 0 348.447 2.552 20 5 EFBDRO CC(=O)NCC[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000805821760 1280799266 /nfs/dbraw/zinc/79/92/66/1280799266.db2.gz DSLXIVFEGFRPPU-CYBMUJFWSA-N 1 0 339.823 2.986 20 5 EFBDRO CCc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001171273259 1280810232 /nfs/dbraw/zinc/81/02/32/1280810232.db2.gz CPSLIMRWFYSDDX-UHFFFAOYSA-N 1 0 345.399 2.968 20 5 EFBDRO Cc1ncn(-c2nc(Cl)cc(C)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961588 1280896457 /nfs/dbraw/zinc/89/64/57/1280896457.db2.gz IGMRFCDPSBEIDT-UHFFFAOYSA-N 1 0 341.824 2.638 20 5 EFBDRO Cc1cccc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001171281739 1280991911 /nfs/dbraw/zinc/99/19/11/1280991911.db2.gz PQVIWCIYMKHMRU-UHFFFAOYSA-N 1 0 326.400 2.925 20 5 EFBDRO CN(CC[NH3+])CCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001170501817 1281000282 /nfs/dbraw/zinc/00/02/82/1281000282.db2.gz CZYFCORYKTVOLU-UHFFFAOYSA-N 1 0 329.835 2.739 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171283095 1281001725 /nfs/dbraw/zinc/00/17/25/1281001725.db2.gz MYBYOGYOCCVNND-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171285148 1281031885 /nfs/dbraw/zinc/03/18/85/1281031885.db2.gz HFFPWLWSGDPFQQ-UHFFFAOYSA-N 1 0 348.353 2.895 20 5 EFBDRO CC(C)(CC(F)(F)F)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146819553 1281040883 /nfs/dbraw/zinc/04/08/83/1281040883.db2.gz QTEFIDUCUWWDSM-UHFFFAOYSA-N 1 0 347.337 2.779 20 5 EFBDRO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147105356 1281107224 /nfs/dbraw/zinc/10/72/24/1281107224.db2.gz DNFHHDJICHKASN-GIDUJCDVSA-N 1 0 343.427 2.985 20 5 EFBDRO CCc1ccc(F)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130814381 1281201320 /nfs/dbraw/zinc/20/13/20/1281201320.db2.gz LCRRHAAPIUWNBP-UHFFFAOYSA-N 1 0 345.374 2.816 20 5 EFBDRO CCc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001130968206 1281334438 /nfs/dbraw/zinc/33/44/38/1281334438.db2.gz WSEJWBFVBQQOGY-UHFFFAOYSA-N 1 0 333.413 2.738 20 5 EFBDRO CCc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001147957656 1281377338 /nfs/dbraw/zinc/37/73/38/1281377338.db2.gz HMXGVGVJGOABES-UHFFFAOYSA-N 1 0 331.372 2.578 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3nccc(Br)c3[N+](=O)[O-])nc2c1 ZINC001171324008 1281465741 /nfs/dbraw/zinc/46/57/41/1281465741.db2.gz VDICNJVWBRAZSO-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO [NH3+]Cc1ccc2cn(-c3ncc([N+](=O)[O-])cc3C(F)(F)F)nc2c1 ZINC001171324143 1281465883 /nfs/dbraw/zinc/46/58/83/1281465883.db2.gz ASLTXEHEHUKHHL-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO Cc1nc(C(C)C)oc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135014646 1287504739 /nfs/dbraw/zinc/50/47/39/1287504739.db2.gz RIDZKOAKKDOJJY-UHFFFAOYSA-N 1 0 346.387 2.534 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000808189840 1281580391 /nfs/dbraw/zinc/58/03/91/1281580391.db2.gz BDQVBYPKIXNMSG-WMLDXEAASA-N 1 0 343.431 2.769 20 5 EFBDRO Cc1ccccc1CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175712112 1287524563 /nfs/dbraw/zinc/52/45/63/1287524563.db2.gz OJSYBPGQRWCUQZ-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H](O)c3ccccc3)C2)nc1 ZINC000808738153 1281889448 /nfs/dbraw/zinc/88/94/48/1281889448.db2.gz UNXMFGIRAKGBKG-WBVHZDCISA-N 1 0 342.399 2.600 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC001175735795 1287533736 /nfs/dbraw/zinc/53/37/36/1287533736.db2.gz PVSOBGLBSZBTIF-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH+](C)C[C@@H](CO)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000809341587 1282159165 /nfs/dbraw/zinc/15/91/65/1282159165.db2.gz TZDWYGMFNZNOJI-ZETCQYMHSA-N 1 0 341.717 2.601 20 5 EFBDRO COC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809691308 1282375405 /nfs/dbraw/zinc/37/54/05/1282375405.db2.gz FPNXNFHWLWUHLW-UHFFFAOYSA-N 1 0 349.431 2.743 20 5 EFBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC000809728264 1282408952 /nfs/dbraw/zinc/40/89/52/1282408952.db2.gz QERFBFNOMNNNPC-UHFFFAOYSA-N 1 0 334.307 2.607 20 5 EFBDRO [NH3+]CCN(Cc1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000809734341 1282411281 /nfs/dbraw/zinc/41/12/81/1282411281.db2.gz BCBSZTFDQQAZLP-UHFFFAOYSA-N 1 0 338.367 2.814 20 5 EFBDRO [NH3+]CCN(Cc1cnc([C@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809735282 1282414558 /nfs/dbraw/zinc/41/45/58/1282414558.db2.gz ZEYHPRSUHGTOJE-OAHLLOKOSA-N 1 0 348.428 2.868 20 5 EFBDRO CCn1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000809734954 1282414656 /nfs/dbraw/zinc/41/46/56/1282414656.db2.gz ONJLTZWKDKUHCN-UHFFFAOYSA-N 1 0 339.399 2.930 20 5 EFBDRO COc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1OC ZINC000809734787 1282414692 /nfs/dbraw/zinc/41/46/92/1282414692.db2.gz LOAZLXJHQNXUEQ-UHFFFAOYSA-N 1 0 331.372 2.577 20 5 EFBDRO COCCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809736213 1282428672 /nfs/dbraw/zinc/42/86/72/1282428672.db2.gz KFTJLDXFQFNHDC-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000809915543 1282563719 /nfs/dbraw/zinc/56/37/19/1282563719.db2.gz QOOMXJOWCISLCV-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809919407 1282643241 /nfs/dbraw/zinc/64/32/41/1282643241.db2.gz IIWPCWIVQNKSEG-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815559723 1287596794 /nfs/dbraw/zinc/59/67/94/1287596794.db2.gz ORDSMABFVZHAIB-LLVKDONJSA-N 1 0 328.372 2.986 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110191202 1287601508 /nfs/dbraw/zinc/60/15/08/1287601508.db2.gz KOXJLONGXFXLHZ-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000810158965 1282987982 /nfs/dbraw/zinc/98/79/82/1282987982.db2.gz YJGBYLCORWVFSB-UHFFFAOYSA-N 1 0 333.775 2.566 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581914 1287612373 /nfs/dbraw/zinc/61/23/73/1287612373.db2.gz SHYBPTZJJJQVRD-LBPRGKRZSA-N 1 0 338.371 2.609 20 5 EFBDRO COc1cc(N2c3ccccc3OC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001171392421 1283177324 /nfs/dbraw/zinc/17/73/24/1283177324.db2.gz DBJIQYBDAAWGGP-ZDUSSCGKSA-N 1 0 329.356 2.770 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596576 1287622960 /nfs/dbraw/zinc/62/29/60/1287622960.db2.gz YAPMACXULWLGKX-LRDDRELGSA-N 1 0 346.431 2.761 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596012 1287624619 /nfs/dbraw/zinc/62/46/19/1287624619.db2.gz IEVKSJTXLNDNMY-BGJPBQGDSA-N 1 0 333.413 2.765 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171394087 1283206553 /nfs/dbraw/zinc/20/65/53/1283206553.db2.gz OGCDBVVPYBLTLZ-GFCCVEGCSA-N 1 0 329.356 2.770 20 5 EFBDRO COc1ccncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815628773 1287645703 /nfs/dbraw/zinc/64/57/03/1287645703.db2.gz JEUDPZKIZFZOTO-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO COc1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001170628925 1284157201 /nfs/dbraw/zinc/15/72/01/1284157201.db2.gz FOZRKNNZMDJUOP-UHFFFAOYSA-N 1 0 346.431 2.732 20 5 EFBDRO CC(C)c1ccoc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132784345 1284278695 /nfs/dbraw/zinc/27/86/95/1284278695.db2.gz QROHKEAIWOJMLU-UHFFFAOYSA-N 1 0 331.372 2.831 20 5 EFBDRO Cc1cc(NCCNC(=O)CCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001093648418 1284341956 /nfs/dbraw/zinc/34/19/56/1284341956.db2.gz QNPLPYRBQSWELY-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000811483339 1284342565 /nfs/dbraw/zinc/34/25/65/1284342565.db2.gz GAJHFGHGEBDVQG-NOZJJQNGSA-N 1 0 348.230 2.710 20 5 EFBDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000811483345 1284342923 /nfs/dbraw/zinc/34/29/23/1284342923.db2.gz GAJHFGHGEBDVQG-ZANVPECISA-N 1 0 348.230 2.710 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000811490925 1284347670 /nfs/dbraw/zinc/34/76/70/1284347670.db2.gz WCCDVJAALQVTEV-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO C[S@@](=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481000 1284365438 /nfs/dbraw/zinc/36/54/38/1284365438.db2.gz LXUSTIBUVNSXLR-LJQANCHMSA-N 1 0 325.217 2.760 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811803417 1284633421 /nfs/dbraw/zinc/63/34/21/1284633421.db2.gz LRWMHSGOKXRUET-GFCCVEGCSA-N 1 0 334.420 2.629 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@@H+]1C1CC1 ZINC000811812612 1284642151 /nfs/dbraw/zinc/64/21/51/1284642151.db2.gz UEFZEJIUGKTDRC-DGCLKSJQSA-N 1 0 344.415 2.524 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[N@@H+]1C1CC1 ZINC000811812614 1284642320 /nfs/dbraw/zinc/64/23/20/1284642320.db2.gz UEFZEJIUGKTDRC-YPMHNXCESA-N 1 0 344.415 2.524 20 5 EFBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093978135 1284705053 /nfs/dbraw/zinc/70/50/53/1284705053.db2.gz YUBBCJKHNMULNY-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC001133136230 1284851771 /nfs/dbraw/zinc/85/17/71/1284851771.db2.gz MKPSYKGRDJOWRG-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)n2)c1 ZINC000872712244 1287754946 /nfs/dbraw/zinc/75/49/46/1287754946.db2.gz KUZNUBOITNNHTF-GASCZTMLSA-N 1 0 325.372 2.709 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812331063 1285057150 /nfs/dbraw/zinc/05/71/50/1285057150.db2.gz PNKIZSZVJBUXRP-LSDHHAIUSA-N 1 0 331.416 2.742 20 5 EFBDRO O=C(CCC[NH+]1CCCCC1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094441220 1285106417 /nfs/dbraw/zinc/10/64/17/1285106417.db2.gz RQVBXEUFXXWVQF-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001094455035 1285126575 /nfs/dbraw/zinc/12/65/75/1285126575.db2.gz HBYPSTZXYIMDDI-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO Cc1ccc(C)c(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001133300064 1285147631 /nfs/dbraw/zinc/14/76/31/1285147631.db2.gz IQRUQLFNNPIAFH-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000716203879 1285171775 /nfs/dbraw/zinc/17/17/75/1285171775.db2.gz LVFNPNAASVGEFK-XJKSGUPXSA-N 1 0 327.388 2.707 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000716203871 1285172357 /nfs/dbraw/zinc/17/23/57/1285172357.db2.gz LVFNPNAASVGEFK-CJNGLKHVSA-N 1 0 327.388 2.707 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001170678893 1285185806 /nfs/dbraw/zinc/18/58/06/1285185806.db2.gz IHELVAPSTJFPCK-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO COc1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])nc1[N+](=O)[O-] ZINC001170679069 1285228523 /nfs/dbraw/zinc/22/85/23/1285228523.db2.gz OFLNAZHRAVSKCN-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094640006 1285464777 /nfs/dbraw/zinc/46/47/77/1285464777.db2.gz MEIKOBINCGGIOQ-UHFFFAOYSA-N 1 0 336.436 2.552 20 5 EFBDRO Cc1ccc(NCCCNC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001094700259 1285505707 /nfs/dbraw/zinc/50/57/07/1285505707.db2.gz HAPVBYWWMIJETR-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001171880660 1285911408 /nfs/dbraw/zinc/91/14/08/1285911408.db2.gz YEWNGUUFIYTHBO-UHFFFAOYSA-N 1 0 333.413 2.874 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813424350 1285920292 /nfs/dbraw/zinc/92/02/92/1285920292.db2.gz VRBAQKFEPJHQSV-SECBINFHSA-N 1 0 344.198 2.868 20 5 EFBDRO CC(=O)N1CCC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902547 1286307337 /nfs/dbraw/zinc/30/73/37/1286307337.db2.gz ZOIVFYJORJJSGD-SFHVURJKSA-N 1 0 345.443 2.690 20 5 EFBDRO COCCN1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905573 1286309650 /nfs/dbraw/zinc/30/96/50/1286309650.db2.gz SBSHQYCYNLPSGX-QGZVFWFLSA-N 1 0 347.459 2.543 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1cccnc1)CC2 ZINC001172908853 1286310911 /nfs/dbraw/zinc/31/09/11/1286310911.db2.gz ZWYWGMKJOJROBU-SJLPKXTDSA-N 1 0 327.384 2.560 20 5 EFBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895675 1286326330 /nfs/dbraw/zinc/32/63/30/1286326330.db2.gz HERICHSQRDERBC-MRXNPFEDSA-N 1 0 328.416 2.982 20 5 EFBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896437 1286326351 /nfs/dbraw/zinc/32/63/51/1286326351.db2.gz POCXMSRDNITIGQ-OAHLLOKOSA-N 1 0 349.431 2.957 20 5 EFBDRO CCc1nnc2n1CCN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920616 1286328447 /nfs/dbraw/zinc/32/84/47/1286328447.db2.gz LJKRZYLLZTVOEC-HNNXBMFYSA-N 1 0 341.415 2.512 20 5 EFBDRO Cn1ncc2c1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921350 1286328785 /nfs/dbraw/zinc/32/87/85/1286328785.db2.gz PAVUVIJSIBHENB-INIZCTEOSA-N 1 0 326.400 2.634 20 5 EFBDRO COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912051 1286352839 /nfs/dbraw/zinc/35/28/39/1286352839.db2.gz ICPMEBWYYGFIPI-CZUORRHYSA-N 1 0 332.400 2.727 20 5 EFBDRO O=C1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC2(CCCC2)N1 ZINC001172912956 1286353161 /nfs/dbraw/zinc/35/31/61/1286353161.db2.gz NGMWTIJCLUFGNE-INIZCTEOSA-N 1 0 343.427 2.587 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOC3(CCOCC3)C1)CC2 ZINC001172912503 1286353376 /nfs/dbraw/zinc/35/33/76/1286353376.db2.gz AKOIUXFIVYOWTD-QGZVFWFLSA-N 1 0 346.427 2.724 20 5 EFBDRO O=C1CCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)N1 ZINC001172912230 1286353431 /nfs/dbraw/zinc/35/34/31/1286353431.db2.gz JXFAVTASSRGMDL-INIZCTEOSA-N 1 0 343.427 2.587 20 5 EFBDRO CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912210 1286353684 /nfs/dbraw/zinc/35/36/84/1286353684.db2.gz JSBKDPPAFXYIRP-PKOBYXMFSA-N 1 0 345.443 2.785 20 5 EFBDRO C[NH+](C)CCC(=O)NCCCCCCNc1ccccc1[N+](=O)[O-] ZINC001094993604 1286356542 /nfs/dbraw/zinc/35/65/42/1286356542.db2.gz SIHCNZDLRNPARJ-UHFFFAOYSA-N 1 0 336.436 2.635 20 5 EFBDRO [NH3+]Cc1cccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012153 1286383328 /nfs/dbraw/zinc/38/33/28/1286383328.db2.gz OXWAQTZMGKJQFR-UHFFFAOYSA-N 1 0 336.342 2.975 20 5 EFBDRO CCC1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)COC1 ZINC001173011023 1286383437 /nfs/dbraw/zinc/38/34/37/1286383437.db2.gz OBTQFZIPUMGECV-UHFFFAOYSA-N 1 0 341.358 2.610 20 5 EFBDRO COC[C@@H]1CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016627 1286386304 /nfs/dbraw/zinc/38/63/04/1286386304.db2.gz MPVIGMSTGVVQMZ-LBPRGKRZSA-N 1 0 341.358 2.563 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2ccccc2)c1F ZINC001173175551 1286451068 /nfs/dbraw/zinc/45/10/68/1286451068.db2.gz PHCSLCSISZEJML-BLLLJJGKSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCCCC2)c1F ZINC001173175745 1286451557 /nfs/dbraw/zinc/45/15/57/1286451557.db2.gz RHBWVBCWNSJGDU-ZDUSSCGKSA-N 1 0 339.411 2.749 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)C ZINC001173176112 1286452359 /nfs/dbraw/zinc/45/23/59/1286452359.db2.gz XPBSJVAKAYRNET-YPMHNXCESA-N 1 0 328.384 2.934 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCCCN2C)c1F ZINC001173177275 1286452463 /nfs/dbraw/zinc/45/24/63/1286452463.db2.gz SDSWAMXSPUQHNW-OLZOCXBDSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3cnn(C)c3)CC2)c1F ZINC001173176522 1286452586 /nfs/dbraw/zinc/45/25/86/1286452586.db2.gz HRPBLVJXHMXFNM-LLVKDONJSA-N 1 0 348.378 2.686 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCCCCO)c1F ZINC001173176031 1286452670 /nfs/dbraw/zinc/45/26/70/1286452670.db2.gz FQVMTMFQRYHKMZ-GFCCVEGCSA-N 1 0 328.384 2.816 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1F ZINC001173176202 1286452673 /nfs/dbraw/zinc/45/26/73/1286452673.db2.gz GMPMCRLPCXTYSG-IJLUTSLNSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(C)n(C)n2)c1F ZINC001173176372 1286452712 /nfs/dbraw/zinc/45/27/12/1286452712.db2.gz GWBGUWRYNQCTRG-SNVBAGLBSA-N 1 0 336.367 2.505 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)C ZINC001173176109 1286452784 /nfs/dbraw/zinc/45/27/84/1286452784.db2.gz XPBSJVAKAYRNET-AAEUAGOBSA-N 1 0 328.384 2.934 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1F ZINC001173178416 1286453193 /nfs/dbraw/zinc/45/31/93/1286453193.db2.gz BMJRNQINXZCDDN-TYNCELHUSA-N 1 0 340.395 2.766 20 5 EFBDRO COC[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173178312 1286453721 /nfs/dbraw/zinc/45/37/21/1286453721.db2.gz AOIPCRCVPKIUPP-VXGBXAGGSA-N 1 0 326.368 2.642 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1F ZINC001173178929 1286454016 /nfs/dbraw/zinc/45/40/16/1286454016.db2.gz CFGTUPZVDRVQRF-HUBLWGQQSA-N 1 0 340.395 2.766 20 5 EFBDRO COCC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173179879 1286455197 /nfs/dbraw/zinc/45/51/97/1286455197.db2.gz RGQCQWRMDBVRIH-LLVKDONJSA-N 1 0 326.368 2.832 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)c1F ZINC001173184539 1286456249 /nfs/dbraw/zinc/45/62/49/1286456249.db2.gz NTZHATLSVWMIBE-VXGBXAGGSA-N 1 0 326.368 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(F)nc2)c1F ZINC001173182176 1286456461 /nfs/dbraw/zinc/45/64/61/1286456461.db2.gz IQSJVNBEFUQYAF-SNVBAGLBSA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cnccn2)c1F ZINC001173191446 1286457488 /nfs/dbraw/zinc/45/74/88/1286457488.db2.gz LGXWPRKDPXEDDJ-WDEREUQCSA-N 1 0 334.351 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ccc3c2CC[NH2+]C3)c1F ZINC001173191730 1286457705 /nfs/dbraw/zinc/45/77/05/1286457705.db2.gz GWRXIGDKRITPDW-LLVKDONJSA-N 1 0 333.363 2.993 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncccc2OC)c1F ZINC001173189383 1286457728 /nfs/dbraw/zinc/45/77/28/1286457728.db2.gz OVPNTFAVHGIAHX-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC(C)(C)O2)c1F ZINC001173190381 1286458082 /nfs/dbraw/zinc/45/80/82/1286458082.db2.gz WTYICSZLNNNAQR-QWRGUYRKSA-N 1 0 326.368 2.831 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CC(C)(C)O2)c1F ZINC001173190380 1286458330 /nfs/dbraw/zinc/45/83/30/1286458330.db2.gz WTYICSZLNNNAQR-MNOVXSKESA-N 1 0 326.368 2.831 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001173215080 1286469601 /nfs/dbraw/zinc/46/96/01/1286469601.db2.gz RPNDNNVQCKVOOO-JQWIXIFHSA-N 1 0 332.429 2.557 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173217791 1286472277 /nfs/dbraw/zinc/47/22/77/1286472277.db2.gz GFAFCYOUUFTRSI-GUYCJALGSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)C1CCCCC1 ZINC001173218053 1286472983 /nfs/dbraw/zinc/47/29/83/1286472983.db2.gz ITQGPXUNRULDOE-CQSZACIVSA-N 1 0 333.432 2.812 20 5 EFBDRO Cc1cccc(C)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134226270 1286473260 /nfs/dbraw/zinc/47/32/60/1286473260.db2.gz BCWUHXXGMDSLAL-UHFFFAOYSA-N 1 0 327.384 2.731 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001173221983 1286475306 /nfs/dbraw/zinc/47/53/06/1286475306.db2.gz ROIIJBGHQOTTPY-CRAIPNDOSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC001173222649 1286475797 /nfs/dbraw/zinc/47/57/97/1286475797.db2.gz YKZNHLBBRPNVIK-YJBOKZPZSA-N 1 0 340.427 2.785 20 5 EFBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223710 1286477992 /nfs/dbraw/zinc/47/79/92/1286477992.db2.gz LAPXYGDHPXVHCJ-NSHDSACASA-N 1 0 331.372 2.733 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001173225028 1286479628 /nfs/dbraw/zinc/47/96/28/1286479628.db2.gz AWWAQCVTAIIGDP-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001173225627 1286480715 /nfs/dbraw/zinc/48/07/15/1286480715.db2.gz TWRNKSQRNITGSB-CYBMUJFWSA-N 1 0 342.399 2.894 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001173226166 1286480900 /nfs/dbraw/zinc/48/09/00/1286480900.db2.gz VQGBMDJJDIWMIS-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001173225517 1286481018 /nfs/dbraw/zinc/48/10/18/1286481018.db2.gz CXPGOBXMTOSGIR-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)(CC1)C2 ZINC001173228841 1286481978 /nfs/dbraw/zinc/48/19/78/1286481978.db2.gz KTANHBDRULIKPR-TZYSRNFLSA-N 1 0 332.400 2.991 20 5 EFBDRO CCO[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]12 ZINC001173228270 1286482042 /nfs/dbraw/zinc/48/20/42/1286482042.db2.gz XROZLAXLWXVVII-LIRZEXBASA-N 1 0 334.416 2.794 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227029 1286482416 /nfs/dbraw/zinc/48/24/16/1286482416.db2.gz MEHHXIIVAWWHOX-AWEZNQCLSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC001173232616 1286483150 /nfs/dbraw/zinc/48/31/50/1286483150.db2.gz FBZZGJUQHMNKIK-KUHUBIRLSA-N 1 0 342.395 2.786 20 5 EFBDRO COc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173232708 1286483293 /nfs/dbraw/zinc/48/32/93/1286483293.db2.gz FTSNFCYQPJZUIC-SCLBCKFNSA-N 1 0 330.384 2.858 20 5 EFBDRO CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230222 1286483306 /nfs/dbraw/zinc/48/33/06/1286483306.db2.gz CYBGQYVOAQQHOU-RDTXWAMCSA-N 1 0 333.432 2.857 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231197 1286483581 /nfs/dbraw/zinc/48/35/81/1286483581.db2.gz YMEMBFIOJFXHDK-IFXJQAMLSA-N 1 0 344.411 2.995 20 5 EFBDRO COc1cccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234146 1286483877 /nfs/dbraw/zinc/48/38/77/1286483877.db2.gz NSWYFJHLSWOKDG-RHSMWYFYSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1c1cccnc1 ZINC001173233566 1286483946 /nfs/dbraw/zinc/48/39/46/1286483946.db2.gz XJEBDTYQHTUFCT-KSSFIOAISA-N 1 0 327.384 2.994 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001173233352 1286484013 /nfs/dbraw/zinc/48/40/13/1286484013.db2.gz LFZDBHATFOTNPZ-CYBMUJFWSA-N 1 0 339.386 2.941 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccccn2)C1 ZINC001173233220 1286484048 /nfs/dbraw/zinc/48/40/48/1286484048.db2.gz JRGSQCNUOLERAJ-KDOFPFPSSA-N 1 0 327.384 2.994 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001173234791 1286484191 /nfs/dbraw/zinc/48/41/91/1286484191.db2.gz QBEQQBBAHHDCCT-QAPCUYQASA-N 1 0 328.412 2.967 20 5 EFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234145 1286484431 /nfs/dbraw/zinc/48/44/31/1286484431.db2.gz NSWYFJHLSWOKDG-PBHICJAKSA-N 1 0 344.411 2.728 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001173233423 1286484535 /nfs/dbraw/zinc/48/45/35/1286484535.db2.gz WNMWPPACPPWBSN-AWEZNQCLSA-N 1 0 347.415 2.833 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001173211489 1286485206 /nfs/dbraw/zinc/48/52/06/1286485206.db2.gz SIIAYOZZQDEEOB-SWLSCSKDSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccc(C[NH3+])nc21 ZINC001173236254 1286485957 /nfs/dbraw/zinc/48/59/57/1286485957.db2.gz ZHUTXKPADHHTGV-ZDUSSCGKSA-N 1 0 326.400 2.832 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCc2ccccc21 ZINC001173213284 1286486513 /nfs/dbraw/zinc/48/65/13/1286486513.db2.gz HNYFLNJKTHNWAV-AWEZNQCLSA-N 1 0 339.395 2.705 20 5 EFBDRO CCC(=O)N(C)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238093 1286496509 /nfs/dbraw/zinc/49/65/09/1286496509.db2.gz MXWUJBFNLJLVGV-CQSZACIVSA-N 1 0 333.432 2.859 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccncn1)C1CC[NH2+]CC1 ZINC001173238317 1286496525 /nfs/dbraw/zinc/49/65/25/1286496525.db2.gz PHHOVWOUCGSWCG-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001173238706 1286497828 /nfs/dbraw/zinc/49/78/28/1286497828.db2.gz WDFANWGOWYMSSP-RHSMWYFYSA-N 1 0 345.443 2.907 20 5 EFBDRO CCOc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001134385361 1286632270 /nfs/dbraw/zinc/63/22/70/1286632270.db2.gz UONPXIITHQUHMZ-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822712641 1289088947 /nfs/dbraw/zinc/08/89/47/1289088947.db2.gz ZRUIFRQPXMFDKS-GDBMZVCRSA-N 1 0 333.432 2.774 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2cc[nH]c2c1 ZINC001134368195 1286637050 /nfs/dbraw/zinc/63/70/50/1286637050.db2.gz WZBBQJBXDBJMON-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170749371 1286657131 /nfs/dbraw/zinc/65/71/31/1286657131.db2.gz ZGFCIKZEKSYSJJ-HNNXBMFYSA-N 1 0 327.388 2.504 20 5 EFBDRO CC[N@H+](C)CCC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001095263825 1286815762 /nfs/dbraw/zinc/81/57/62/1286815762.db2.gz KGJDMIPPNJIENN-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)(CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N+](=O)[O-] ZINC000822844409 1289129905 /nfs/dbraw/zinc/12/99/05/1289129905.db2.gz GBIASKCSAXUJEN-UHFFFAOYSA-N 1 0 325.453 2.593 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822861701 1289141462 /nfs/dbraw/zinc/14/14/62/1289141462.db2.gz DUPWZNJZJOGELK-KFWWJZLASA-N 1 0 325.453 2.686 20 5 EFBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001177710683 1288523095 /nfs/dbraw/zinc/52/30/95/1288523095.db2.gz CQIQIPGTOWTEFP-UHFFFAOYSA-N 1 0 329.347 2.626 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000817304897 1288530269 /nfs/dbraw/zinc/53/02/69/1288530269.db2.gz XSOWCCCIMZLNAZ-LLVKDONJSA-N 1 0 326.784 2.806 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817368430 1288562183 /nfs/dbraw/zinc/56/21/83/1288562183.db2.gz IIULYQZVAYYJAR-ZDUSSCGKSA-N 1 0 331.372 2.972 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000817373378 1288566242 /nfs/dbraw/zinc/56/62/42/1288566242.db2.gz NLRFMGSBUZGTDM-GFCCVEGCSA-N 1 0 336.417 2.855 20 5 EFBDRO CSCC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177855802 1288571987 /nfs/dbraw/zinc/57/19/87/1288571987.db2.gz JEBZVIZEWWYANN-UHFFFAOYSA-N 1 0 345.490 2.786 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852199303 1299593773 /nfs/dbraw/zinc/59/37/73/1299593773.db2.gz IRVKOWHXVBMROE-LBPRGKRZSA-N 1 0 340.811 2.532 20 5 EFBDRO CCCN1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000817411502 1288590406 /nfs/dbraw/zinc/59/04/06/1288590406.db2.gz SMWNHZILYSXDJZ-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000817484601 1288614950 /nfs/dbraw/zinc/61/49/50/1288614950.db2.gz XICNTWKEKZRGNX-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178450029 1288775952 /nfs/dbraw/zinc/77/59/52/1288775952.db2.gz OEPHNKHDYTVCAM-QZTJIDSGSA-N 1 0 347.459 2.735 20 5 EFBDRO Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178458762 1288792251 /nfs/dbraw/zinc/79/22/51/1288792251.db2.gz WZPXZKYFVBGROK-QZTJIDSGSA-N 1 0 347.459 2.735 20 5 EFBDRO O=C(NCCCCCC[NH2+]CC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464689 1288794369 /nfs/dbraw/zinc/79/43/69/1288794369.db2.gz XTEWXDQYULBHAB-IAGOWNOFSA-N 1 0 339.480 2.888 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822150814 1288893614 /nfs/dbraw/zinc/89/36/14/1288893614.db2.gz JBKYXONFORJFSC-YESZJQIVSA-N 1 0 331.416 2.639 20 5 EFBDRO CCOC(=O)c1cc(N[C@H]2C[C@H]3CC[N@H+](C2)[C@@H]3C)ccc1[N+](=O)[O-] ZINC001170979083 1288895749 /nfs/dbraw/zinc/89/57/49/1288895749.db2.gz HKZDSFMMGYOIRV-BZPMIXESSA-N 1 0 333.388 2.666 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)c1 ZINC000823088075 1289208116 /nfs/dbraw/zinc/20/81/16/1289208116.db2.gz HCRYNWUUAQZWBZ-MEBBXXQBSA-N 1 0 334.376 2.664 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@H]([NH3+])CC2CCCCC2)n1 ZINC000823087362 1289208357 /nfs/dbraw/zinc/20/83/57/1289208357.db2.gz AHEMOVVOSCCBDK-LBPRGKRZSA-N 1 0 348.407 2.609 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000823252874 1289249393 /nfs/dbraw/zinc/24/93/93/1289249393.db2.gz HIUZQTDXTBBUJT-SNVBAGLBSA-N 1 0 326.784 2.854 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823585758 1289366631 /nfs/dbraw/zinc/36/66/31/1289366631.db2.gz QWGDWSJHUWRPSS-GOSISDBHSA-N 1 0 330.384 2.943 20 5 EFBDRO CC(C)[C@@H](C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000803494228 1312710703 /nfs/dbraw/zinc/71/07/03/1312710703.db2.gz ZSADBBVIRPHWNY-HNNXBMFYSA-N 1 0 347.371 2.879 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823954963 1289489612 /nfs/dbraw/zinc/48/96/12/1289489612.db2.gz BWEUAAJSKFVAQZ-UHFFFAOYSA-N 1 0 335.408 2.517 20 5 EFBDRO CC1(C)CC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000824008461 1289499282 /nfs/dbraw/zinc/49/92/82/1289499282.db2.gz PFLKNUGFOKYUGA-UHFFFAOYSA-N 1 0 335.408 2.608 20 5 EFBDRO Nc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000823993893 1289509078 /nfs/dbraw/zinc/50/90/78/1289509078.db2.gz LFTXZPYZZDWTFG-UHFFFAOYSA-N 1 0 335.408 2.611 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000824002711 1289511700 /nfs/dbraw/zinc/51/17/00/1289511700.db2.gz FNFSKBCVCRYBOO-NEPJUHHUSA-N 1 0 335.408 2.561 20 5 EFBDRO Cc1c(C[NH2+]CCc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000873011084 1289517960 /nfs/dbraw/zinc/51/79/60/1289517960.db2.gz RAVYMSMYXKLYQT-UHFFFAOYSA-N 1 0 329.404 2.553 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000873011384 1289518165 /nfs/dbraw/zinc/51/81/65/1289518165.db2.gz XRVQFENAFNEYPJ-UHFFFAOYSA-N 1 0 331.416 2.702 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNC(=O)c1cccs1 ZINC000873013907 1289519243 /nfs/dbraw/zinc/51/92/43/1289519243.db2.gz JQIBWCARDMXSPB-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1OCCO ZINC000873016043 1289520465 /nfs/dbraw/zinc/52/04/65/1289520465.db2.gz DCYARPGJDYNUAK-UHFFFAOYSA-N 1 0 346.383 2.573 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000873021727 1289524740 /nfs/dbraw/zinc/52/47/40/1289524740.db2.gz PFSQZEXVCUCMIH-MRXNPFEDSA-N 1 0 344.415 2.568 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000873029273 1289529180 /nfs/dbraw/zinc/52/91/80/1289529180.db2.gz AAERPQDNLHSUKL-QGZVFWFLSA-N 1 0 339.395 2.794 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000873125230 1289581122 /nfs/dbraw/zinc/58/11/22/1289581122.db2.gz LCKJYMWABGASQO-INIZCTEOSA-N 1 0 346.431 2.673 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000873128828 1289584903 /nfs/dbraw/zinc/58/49/03/1289584903.db2.gz AQQIWLLVERCVFO-KSSFIOAISA-N 1 0 344.415 2.955 20 5 EFBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000873129703 1289585197 /nfs/dbraw/zinc/58/51/97/1289585197.db2.gz QXTIBJBVRDPKEN-GOEBONIOSA-N 1 0 330.388 2.647 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1occc1Cl ZINC001166024970 1312719583 /nfs/dbraw/zinc/71/95/83/1312719583.db2.gz IYLRWHYWDCXWKL-UHFFFAOYSA-N 1 0 337.763 2.751 20 5 EFBDRO Nc1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000873288334 1289702874 /nfs/dbraw/zinc/70/28/74/1289702874.db2.gz BVTNMGJPBIAONV-GJZGRUSLSA-N 1 0 333.367 2.786 20 5 EFBDRO Cc1nn(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247117854 1290006949 /nfs/dbraw/zinc/00/69/49/1290006949.db2.gz PNIGFJQJLFIWOL-PBHICJAKSA-N 1 0 349.479 2.952 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825831184 1290730768 /nfs/dbraw/zinc/73/07/68/1290730768.db2.gz SJTGYIFCDIXGKD-CVEARBPZSA-N 1 0 339.480 2.935 20 5 EFBDRO Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000825921470 1291069637 /nfs/dbraw/zinc/06/96/37/1291069637.db2.gz VTOOPJXQWOSITP-KRWDZBQOSA-N 1 0 343.383 2.637 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000877086763 1291131379 /nfs/dbraw/zinc/13/13/79/1291131379.db2.gz AITMBHICVJXHQT-OAHLLOKOSA-N 1 0 328.796 2.779 20 5 EFBDRO COC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000093734617 1291202154 /nfs/dbraw/zinc/20/21/54/1291202154.db2.gz SQUFILCCCXCKCD-GQCTYLIASA-N 1 0 348.399 2.652 20 5 EFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877818021 1291389138 /nfs/dbraw/zinc/38/91/38/1291389138.db2.gz CJJPFQRQZKVXNO-GFCCVEGCSA-N 1 0 347.371 2.901 20 5 EFBDRO Cc1c[n+]([O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001166864696 1312855828 /nfs/dbraw/zinc/85/58/28/1312855828.db2.gz GQWGDUQIGVNUGQ-QGZVFWFLSA-N 1 0 342.399 2.786 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000795861004 1291545878 /nfs/dbraw/zinc/54/58/78/1291545878.db2.gz JVUHPJDFVUUDMC-LJQANCHMSA-N 1 0 341.411 2.841 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878326870 1291625987 /nfs/dbraw/zinc/62/59/87/1291625987.db2.gz BCVJRLKRVVQSPI-QWHCGFSZSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878326869 1291626762 /nfs/dbraw/zinc/62/67/62/1291626762.db2.gz BCVJRLKRVVQSPI-OLZOCXBDSA-N 1 0 345.403 2.559 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCOCC1 ZINC000878333837 1291631223 /nfs/dbraw/zinc/63/12/23/1291631223.db2.gz GKILOLPREOFYID-UHFFFAOYSA-N 1 0 332.360 2.503 20 5 EFBDRO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878355897 1291643627 /nfs/dbraw/zinc/64/36/27/1291643627.db2.gz OFFLSFYUUUTLOC-LBPRGKRZSA-N 1 0 328.434 2.849 20 5 EFBDRO [NH3+][C@@H]1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1(F)F ZINC001166958571 1312871894 /nfs/dbraw/zinc/87/18/94/1312871894.db2.gz FNPCPGUWBUIAPA-LLVKDONJSA-N 1 0 342.733 2.969 20 5 EFBDRO [NH3+][C@@H]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166960044 1312872096 /nfs/dbraw/zinc/87/20/96/1312872096.db2.gz GMMFRFXITYXFRT-SNVBAGLBSA-N 1 0 342.733 2.969 20 5 EFBDRO Cc1ccc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000878541566 1291708457 /nfs/dbraw/zinc/70/84/57/1291708457.db2.gz DDBRFDNMYONXKB-KRWDZBQOSA-N 1 0 327.384 2.952 20 5 EFBDRO CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001114780393 1291923508 /nfs/dbraw/zinc/92/35/08/1291923508.db2.gz CRPBZJRCBWRGEG-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796113918 1291986222 /nfs/dbraw/zinc/98/62/22/1291986222.db2.gz PWFDCAUSKGBYMN-KRWDZBQOSA-N 1 0 345.355 2.711 20 5 EFBDRO COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[NH2+]2)c1 ZINC000879525428 1292171388 /nfs/dbraw/zinc/17/13/88/1292171388.db2.gz YHDMWYFOJZZYAF-QGZVFWFLSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529876 1292173288 /nfs/dbraw/zinc/17/32/88/1292173288.db2.gz YRPOMOOVXDUXDW-MELADBBJSA-N 1 0 345.399 2.828 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627806 1292210850 /nfs/dbraw/zinc/21/08/50/1292210850.db2.gz SGVQLTONBDZYRJ-UHFFFAOYSA-N 1 0 349.431 2.715 20 5 EFBDRO COc1ccc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000775411342 1292314904 /nfs/dbraw/zinc/31/49/04/1292314904.db2.gz NWZALBSMZBWTFG-KRWDZBQOSA-N 1 0 328.368 2.916 20 5 EFBDRO CO[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775418535 1292357810 /nfs/dbraw/zinc/35/78/10/1292357810.db2.gz DTSCILLJNMYXKN-KSSFIOAISA-N 1 0 333.432 2.968 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](CF)C1 ZINC000880234550 1292422339 /nfs/dbraw/zinc/42/23/39/1292422339.db2.gz GDCVLXXNFZYRCT-GFCCVEGCSA-N 1 0 337.351 2.574 20 5 EFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](CF)C1 ZINC000880293536 1292438968 /nfs/dbraw/zinc/43/89/68/1292438968.db2.gz ANFFEHQPYZBITB-NXEZZACHSA-N 1 0 329.759 2.867 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000024316564 1292708067 /nfs/dbraw/zinc/70/80/67/1292708067.db2.gz AGKAIGLLUFQYNK-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO COC(=O)c1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233521566 1312949147 /nfs/dbraw/zinc/94/91/47/1312949147.db2.gz FOOIQDCCVNULRO-JTQLQIEISA-N 1 0 331.230 2.709 20 5 EFBDRO COC(=O)c1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233521567 1312949544 /nfs/dbraw/zinc/94/95/44/1312949544.db2.gz FOOIQDCCVNULRO-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001233553856 1312956842 /nfs/dbraw/zinc/95/68/42/1312956842.db2.gz NNCRQNOJFCKSND-ZIAGYGMSSA-N 1 0 328.372 2.908 20 5 EFBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203580343 1312962309 /nfs/dbraw/zinc/96/23/09/1312962309.db2.gz NJJUIBVNSKACNG-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(F)c([N+](=O)[O-])cc3F)O2)CC1 ZINC001233597421 1312964210 /nfs/dbraw/zinc/96/42/10/1312964210.db2.gz LXZDQYVFJWZYOY-LLVKDONJSA-N 1 0 342.342 2.895 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)OCc2ccccc2)cn1 ZINC001233622132 1312965045 /nfs/dbraw/zinc/96/50/45/1312965045.db2.gz VSBLDBQBWDPWMI-OAHLLOKOSA-N 1 0 329.420 2.912 20 5 EFBDRO CCOC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)cc(C(=O)OCC)c1 ZINC001233683276 1312970483 /nfs/dbraw/zinc/97/04/83/1312970483.db2.gz MKDDBKQZTIEFFJ-CYBMUJFWSA-N 1 0 338.424 2.514 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2ccnc(F)c2[N+](=O)[O-])cc1 ZINC000881919722 1293053546 /nfs/dbraw/zinc/05/35/46/1293053546.db2.gz ADDLIHWJQATWDN-UHFFFAOYSA-N 1 0 348.378 2.724 20 5 EFBDRO Cc1occc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233733389 1312980779 /nfs/dbraw/zinc/98/07/79/1312980779.db2.gz LDNOVDYCDZSDKX-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001233733650 1312981056 /nfs/dbraw/zinc/98/10/56/1312981056.db2.gz PCHNNLQJMIBNPU-UHFFFAOYSA-N 1 0 333.413 2.908 20 5 EFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882538545 1293237809 /nfs/dbraw/zinc/23/78/09/1293237809.db2.gz DWUNWMAXWMJBIN-LBPRGKRZSA-N 1 0 339.823 2.938 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000882724749 1293297812 /nfs/dbraw/zinc/29/78/12/1293297812.db2.gz BSFQJFCALVRNGG-CYBMUJFWSA-N 1 0 339.823 2.986 20 5 EFBDRO CC(=O)c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882725702 1293298315 /nfs/dbraw/zinc/29/83/15/1293298315.db2.gz ZDDVQGSEEKMIIT-MRXNPFEDSA-N 1 0 347.415 2.535 20 5 EFBDRO CCOc1cccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882726658 1293299272 /nfs/dbraw/zinc/29/92/72/1293299272.db2.gz ZCQLMMSMNLUQOK-OAHLLOKOSA-N 1 0 349.431 2.731 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000882810392 1293332246 /nfs/dbraw/zinc/33/22/46/1293332246.db2.gz JECWDCUBLJTYAQ-ZDUSSCGKSA-N 1 0 328.372 2.579 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2ccc(F)cc2)c1 ZINC001233823241 1312998935 /nfs/dbraw/zinc/99/89/35/1312998935.db2.gz NAHOBQHBMLJYNU-QGZVFWFLSA-N 1 0 332.395 2.855 20 5 EFBDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000883451606 1293598510 /nfs/dbraw/zinc/59/85/10/1293598510.db2.gz SYCQJVDYMNMSQZ-GOSISDBHSA-N 1 0 345.374 2.889 20 5 EFBDRO Cc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000132357580 1293652623 /nfs/dbraw/zinc/65/26/23/1293652623.db2.gz ZWPRCKDSNQHYBV-UHFFFAOYSA-N 1 0 348.447 2.679 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233947242 1313023385 /nfs/dbraw/zinc/02/33/85/1313023385.db2.gz NUDAKQKMUMWZIR-UHFFFAOYSA-N 1 0 331.372 2.748 20 5 EFBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001233984824 1313031066 /nfs/dbraw/zinc/03/10/66/1313031066.db2.gz PHHZHVAHSYVVOK-JLVBRIDZSA-N 1 0 334.416 2.624 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1C ZINC000884037951 1293912057 /nfs/dbraw/zinc/91/20/57/1293912057.db2.gz RZLNMSBUDJAGPG-UHFFFAOYSA-N 1 0 331.416 2.816 20 5 EFBDRO CC[NH+](CC)CCCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000800153796 1293933769 /nfs/dbraw/zinc/93/37/69/1293933769.db2.gz AKMYJHOBGHAVLV-UHFFFAOYSA-N 1 0 333.388 2.825 20 5 EFBDRO C[NH2+]CCOc1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000884078633 1293969755 /nfs/dbraw/zinc/96/97/55/1293969755.db2.gz RDIRCVVCCJGQPC-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO C[NH2+]CCOc1cccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000884078634 1293969854 /nfs/dbraw/zinc/96/98/54/1293969854.db2.gz RDIRCVVCCJGQPC-ZDUSSCGKSA-N 1 0 343.383 2.684 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000884706758 1294226243 /nfs/dbraw/zinc/22/62/43/1294226243.db2.gz MSMYDHMTFWQDHJ-UHFFFAOYSA-N 1 0 332.408 2.844 20 5 EFBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)c(OC)cc1Br ZINC001234201425 1313080782 /nfs/dbraw/zinc/08/07/82/1313080782.db2.gz ROAXIGKAOLQDHV-SNVBAGLBSA-N 1 0 333.246 2.940 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000885935053 1294571208 /nfs/dbraw/zinc/57/12/08/1294571208.db2.gz AJCGDGZGQQTSLT-UHFFFAOYSA-N 1 0 344.390 2.837 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886006409 1294616925 /nfs/dbraw/zinc/61/69/25/1294616925.db2.gz QVDYVNANNDERSP-OAHLLOKOSA-N 1 0 326.400 2.696 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035161 1294637347 /nfs/dbraw/zinc/63/73/47/1294637347.db2.gz KQWFCSUBUAWIOM-QGZVFWFLSA-N 1 0 326.400 2.696 20 5 EFBDRO COc1ccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCOCC2)cc1 ZINC000886064953 1294655487 /nfs/dbraw/zinc/65/54/87/1294655487.db2.gz MGYUOXKUEVIRAA-UHFFFAOYSA-N 1 0 343.383 2.794 20 5 EFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000136811277 1294688379 /nfs/dbraw/zinc/68/83/79/1294688379.db2.gz QZNLJEZNQXATEY-QGZVFWFLSA-N 1 0 346.383 2.777 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886140568 1294725937 /nfs/dbraw/zinc/72/59/37/1294725937.db2.gz KMBIBUJPXGOZMU-MAUKXSAKSA-N 1 0 340.427 2.990 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000886202751 1294762342 /nfs/dbraw/zinc/76/23/42/1294762342.db2.gz CZYKICGTJMBYRJ-SQNIBIBYSA-N 1 0 339.395 2.994 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886279312 1294810952 /nfs/dbraw/zinc/81/09/52/1294810952.db2.gz VQEWQPXUZRKODO-GOSISDBHSA-N 1 0 340.427 2.739 20 5 EFBDRO CCCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000903716831 1313110431 /nfs/dbraw/zinc/11/04/31/1313110431.db2.gz UKQPCWDASCUFRE-NSHDSACASA-N 1 0 342.237 2.931 20 5 EFBDRO Cc1ncsc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234368733 1313114536 /nfs/dbraw/zinc/11/45/36/1313114536.db2.gz LPECFKCBYPTPAU-UHFFFAOYSA-N 1 0 348.428 2.612 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cncc(Br)c2n1 ZINC001234370706 1313114625 /nfs/dbraw/zinc/11/46/25/1313114625.db2.gz MWRIWKPTKISAMK-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1ccccc1[C@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000886435871 1294966208 /nfs/dbraw/zinc/96/62/08/1294966208.db2.gz KVEWZCHSTZZWRP-ZWKOTPCHSA-N 1 0 330.384 2.602 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001234409305 1313122250 /nfs/dbraw/zinc/12/22/50/1313122250.db2.gz XYWUFTUPUCGSOH-CQSZACIVSA-N 1 0 336.388 2.564 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000886602130 1295048797 /nfs/dbraw/zinc/04/87/97/1295048797.db2.gz KJDHNGWTLDDSEG-KURKYZTESA-N 1 0 345.443 2.887 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000886669667 1295097704 /nfs/dbraw/zinc/09/77/04/1295097704.db2.gz BYMKFMKCCGYMCN-MRRJBJDNSA-N 1 0 334.416 2.837 20 5 EFBDRO CCSCCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234432386 1313126821 /nfs/dbraw/zinc/12/68/21/1313126821.db2.gz DFMAGUUBDQMXKK-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886943785 1295222251 /nfs/dbraw/zinc/22/22/51/1295222251.db2.gz GLVHKNGORQIZJZ-KRWDZBQOSA-N 1 0 332.404 2.901 20 5 EFBDRO CCCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199358980 1295495704 /nfs/dbraw/zinc/49/57/04/1295495704.db2.gz DAPYVMJDDYDUHC-UHFFFAOYSA-N 1 0 325.434 2.927 20 5 EFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775984573 1295571883 /nfs/dbraw/zinc/57/18/83/1295571883.db2.gz GXPULRSHJXABQH-WDEREUQCSA-N 1 0 342.237 2.882 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903753760 1313166267 /nfs/dbraw/zinc/16/62/67/1313166267.db2.gz YBVLKWRGMCKBJC-GPCCPHFNSA-N 1 0 342.237 2.833 20 5 EFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000775997299 1295606930 /nfs/dbraw/zinc/60/69/30/1295606930.db2.gz AKYVJNJXCBJCFK-UONOGXRCSA-N 1 0 329.853 2.726 20 5 EFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889658938 1295790438 /nfs/dbraw/zinc/79/04/38/1295790438.db2.gz ONICSRPDIKBSAK-UHFFFAOYSA-N 1 0 344.415 2.742 20 5 EFBDRO O=c1ccc2ncc(O[C@@H]3C[NH+]4CCC3CC4)c3c4ccccc4n1c32 ZINC001234711178 1313185638 /nfs/dbraw/zinc/18/56/38/1313185638.db2.gz PIROUMGNWNRJGE-GOSISDBHSA-N 1 0 345.402 2.912 20 5 EFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([NH2+]C2CCC2)CC1 ZINC000889838001 1295844731 /nfs/dbraw/zinc/84/47/31/1295844731.db2.gz UEEVYUMNADVRBY-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@H](C[NH+](C)C)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745537 1313188299 /nfs/dbraw/zinc/18/82/99/1313188299.db2.gz UGIASELTWDEDOU-SNVBAGLBSA-N 1 0 329.352 2.686 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234741460 1313188330 /nfs/dbraw/zinc/18/83/30/1313188330.db2.gz IKORLEDGHOJZFO-NSHDSACASA-O 1 0 344.387 2.831 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877271 1313202490 /nfs/dbraw/zinc/20/24/90/1313202490.db2.gz MYPVRAZONXFNID-VIFPVBQESA-N 1 0 331.166 2.536 20 5 EFBDRO CCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000903785486 1313211103 /nfs/dbraw/zinc/21/11/03/1313211103.db2.gz YZWYZPNFCCWHEZ-JTQLQIEISA-N 1 0 328.210 2.541 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235255 1296812932 /nfs/dbraw/zinc/81/29/32/1296812932.db2.gz FMKIKHYEMBQGEU-UNEWFSDZSA-N 1 0 346.431 2.782 20 5 EFBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]21 ZINC000931277943 1297321459 /nfs/dbraw/zinc/32/14/59/1297321459.db2.gz RVLBNDRTEDXBEV-IMRBUKKESA-N 1 0 329.322 2.605 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776271270 1297331038 /nfs/dbraw/zinc/33/10/38/1297331038.db2.gz JPWPDYHRDXXDHG-ROUUACIJSA-N 1 0 329.400 2.521 20 5 EFBDRO CCOC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274968 1297337220 /nfs/dbraw/zinc/33/72/20/1297337220.db2.gz DZWNLGURDDVTFD-KRWDZBQOSA-N 1 0 344.367 2.595 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000776279935 1297355010 /nfs/dbraw/zinc/35/50/10/1297355010.db2.gz VCDXQKKMRHCOCS-IBGZPJMESA-N 1 0 347.459 2.826 20 5 EFBDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776279822 1297356560 /nfs/dbraw/zinc/35/65/60/1297356560.db2.gz YCAQRSZWQURNNQ-SFHVURJKSA-N 1 0 330.384 2.947 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000931625475 1297358777 /nfs/dbraw/zinc/35/87/77/1297358777.db2.gz DADLCHSEZRGRQA-PHIMTYICSA-N 1 0 338.795 2.582 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932375976 1297422064 /nfs/dbraw/zinc/42/20/64/1297422064.db2.gz CECKJGRPLKRAQZ-GOSISDBHSA-N 1 0 340.383 2.978 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCn3cccc3C2)cccc1[N+](=O)[O-] ZINC000932528307 1297429877 /nfs/dbraw/zinc/42/98/77/1297429877.db2.gz ZRPJLPHGCWEMSJ-UHFFFAOYSA-N 1 0 328.372 2.549 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000932695425 1297445334 /nfs/dbraw/zinc/44/53/34/1297445334.db2.gz XXACRCMSLBGILA-IKGGRYGDSA-N 1 0 333.432 2.791 20 5 EFBDRO [NH3+][C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC(F)(F)C1 ZINC001206139663 1313410183 /nfs/dbraw/zinc/41/01/83/1313410183.db2.gz MXUDTNYOSFWCPF-CQSZACIVSA-N 1 0 328.366 2.951 20 5 EFBDRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779868476 1298981284 /nfs/dbraw/zinc/98/12/84/1298981284.db2.gz SSRZHMTUAJSJMF-GJZGRUSLSA-N 1 0 343.431 2.652 20 5 EFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000852206554 1299595211 /nfs/dbraw/zinc/59/52/11/1299595211.db2.gz MIRJVLPZTPYTNK-SFHVURJKSA-N 1 0 330.359 3.000 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000776585993 1299650423 /nfs/dbraw/zinc/65/04/23/1299650423.db2.gz GMUOICBOLGMQMR-YESZJQIVSA-N 1 0 346.383 2.809 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852900578 1299931053 /nfs/dbraw/zinc/93/10/53/1299931053.db2.gz ZFJZWEVSWNRUBT-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO C[C@H](O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000689009446 1299944157 /nfs/dbraw/zinc/94/41/57/1299944157.db2.gz LISKIGSNUCPRLZ-WDEREUQCSA-N 1 0 343.221 2.950 20 5 EFBDRO CCC(CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000853133502 1300020285 /nfs/dbraw/zinc/02/02/85/1300020285.db2.gz DJRDEFWNXJKQRM-QGZVFWFLSA-N 1 0 336.436 2.726 20 5 EFBDRO Cc1noc(COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000853907185 1300333799 /nfs/dbraw/zinc/33/37/99/1300333799.db2.gz GSPGVBBHVWVKJI-UHFFFAOYSA-N 1 0 325.365 2.587 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc2ccccn21 ZINC000853999408 1300383310 /nfs/dbraw/zinc/38/33/10/1300383310.db2.gz JUOYGOZESSBOJN-AWEZNQCLSA-N 1 0 329.404 2.776 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000854442978 1300570118 /nfs/dbraw/zinc/57/01/18/1300570118.db2.gz KAJRZFMZNSNDBA-NSHDSACASA-N 1 0 341.358 2.786 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000854649902 1300651579 /nfs/dbraw/zinc/65/15/79/1300651579.db2.gz IYBRRTMCXOGHPX-MFKMUULPSA-N 1 0 325.796 2.721 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855287096 1300888878 /nfs/dbraw/zinc/88/88/78/1300888878.db2.gz IDAQENGAQSUZNL-SNVBAGLBSA-N 1 0 325.796 2.851 20 5 EFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2)C1CCC1 ZINC000963468608 1300911943 /nfs/dbraw/zinc/91/19/43/1300911943.db2.gz VMBOSIAGDYKLAE-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CC(C)(F)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000963479026 1300929337 /nfs/dbraw/zinc/92/93/37/1300929337.db2.gz BPXTZECHZMHJMR-UHFFFAOYSA-N 1 0 349.406 2.860 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000776809308 1300933221 /nfs/dbraw/zinc/93/32/21/1300933221.db2.gz RVFCOGFXOYKLFC-DZGCQCFKSA-N 1 0 335.404 2.941 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000776809309 1300933343 /nfs/dbraw/zinc/93/33/43/1300933343.db2.gz RVFCOGFXOYKLFC-HIFRSBDPSA-N 1 0 335.404 2.941 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+](CC3CC3)CC3CC3)n2)c1 ZINC000115514364 1313764263 /nfs/dbraw/zinc/76/42/63/1313764263.db2.gz IOGHKHBXLZRFFU-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000859354649 1301440274 /nfs/dbraw/zinc/44/02/74/1301440274.db2.gz FLUMMDJIKBJLGT-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO Nc1ccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000117093589 1301659334 /nfs/dbraw/zinc/65/93/34/1301659334.db2.gz BUCKJJYVETZQDY-OAHLLOKOSA-N 1 0 341.367 2.608 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862790161 1302459276 /nfs/dbraw/zinc/45/92/76/1302459276.db2.gz PYUVPCJHADAYPA-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO COCCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CC[C@@H](C)C1 ZINC000794645912 1302848639 /nfs/dbraw/zinc/84/86/39/1302848639.db2.gz QHMOKHXIEFWDEG-CHWSQXEVSA-N 1 0 349.387 2.597 20 5 EFBDRO COCCN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CC[C@H](C)C1 ZINC000794645917 1302849840 /nfs/dbraw/zinc/84/98/40/1302849840.db2.gz QHMOKHXIEFWDEG-QWHCGFSZSA-N 1 0 349.387 2.597 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864572395 1302982243 /nfs/dbraw/zinc/98/22/43/1302982243.db2.gz NHSAKCXRRJFXQO-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864987357 1303113109 /nfs/dbraw/zinc/11/31/09/1303113109.db2.gz LQFPWBDDVFFQHR-OLZOCXBDSA-N 1 0 337.395 2.513 20 5 EFBDRO C[NH+](C)C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCCCC1 ZINC000865405343 1303240702 /nfs/dbraw/zinc/24/07/02/1303240702.db2.gz WNPLFCJUWNKBOH-UHFFFAOYSA-N 1 0 325.384 2.903 20 5 EFBDRO C[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000865503564 1303286738 /nfs/dbraw/zinc/28/67/38/1303286738.db2.gz UKOARXYZDCVVNS-SNVBAGLBSA-N 1 0 347.246 2.949 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865538561 1303302060 /nfs/dbraw/zinc/30/20/60/1303302060.db2.gz TYHONIVLHCAPEZ-CYBMUJFWSA-N 1 0 325.384 2.903 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000865549501 1303306888 /nfs/dbraw/zinc/30/68/88/1303306888.db2.gz SWTNCQAYPYUPJT-AWEZNQCLSA-N 1 0 337.395 2.681 20 5 EFBDRO C[NH+](C)CCCC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865650845 1303351532 /nfs/dbraw/zinc/35/15/32/1303351532.db2.gz JZIGSBFFHCISSN-UHFFFAOYSA-N 1 0 339.411 2.784 20 5 EFBDRO Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001097205615 1313907413 /nfs/dbraw/zinc/90/74/13/1313907413.db2.gz UXNLXCXTFCKANA-GASCZTMLSA-N 1 0 348.447 2.694 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000866021608 1303491814 /nfs/dbraw/zinc/49/18/14/1303491814.db2.gz ZNVIWJOQVXQYQS-OCCSQVGLSA-N 1 0 337.395 2.608 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCCO1 ZINC000866218901 1303568474 /nfs/dbraw/zinc/56/84/74/1303568474.db2.gz AVDCZYOYDYRZEV-CZUORRHYSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nnc2ccccn21 ZINC000866218677 1303568612 /nfs/dbraw/zinc/56/86/12/1303568612.db2.gz VZOZFICTWMNBFO-LBPRGKRZSA-N 1 0 343.362 2.540 20 5 EFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866224184 1303571215 /nfs/dbraw/zinc/57/12/15/1303571215.db2.gz RKFCWWGPLZXLIK-KZULUSFZSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866224186 1303571262 /nfs/dbraw/zinc/57/12/62/1303571262.db2.gz RKFCWWGPLZXLIK-SGTLLEGYSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1 ZINC000866225339 1303572716 /nfs/dbraw/zinc/57/27/16/1303572716.db2.gz VFDWYZYAHQFOHP-CZUORRHYSA-N 1 0 348.374 2.694 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000866242528 1303576827 /nfs/dbraw/zinc/57/68/27/1303576827.db2.gz CIXRKCLDNUZYQS-FJNPEDAXSA-N 1 0 330.359 2.913 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(CC(F)F)CC1 ZINC000866251471 1303580850 /nfs/dbraw/zinc/58/08/50/1303580850.db2.gz UDOMTGCLRUPNBG-LLVKDONJSA-N 1 0 345.365 2.984 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)(F)F ZINC000866264796 1303586100 /nfs/dbraw/zinc/58/61/00/1303586100.db2.gz SPOYJBCIGWKMQJ-SNVBAGLBSA-N 1 0 337.317 2.749 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1csc(N(C)C)n1 ZINC000866278097 1303588996 /nfs/dbraw/zinc/58/89/96/1303588996.db2.gz MGAOVPPHWIKLML-JTQLQIEISA-N 1 0 338.408 2.977 20 5 EFBDRO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298167 1303593578 /nfs/dbraw/zinc/59/35/78/1303593578.db2.gz UIYSAKGVESSQIG-LRDDRELGSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)n1 ZINC000866309070 1303598048 /nfs/dbraw/zinc/59/80/48/1303598048.db2.gz BOOWKHWSAKEFOZ-LBPRGKRZSA-N 1 0 332.379 2.916 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000866309889 1303598166 /nfs/dbraw/zinc/59/81/66/1303598166.db2.gz CPOVNHZCJBQNBQ-VMGRFDJRSA-N 1 0 338.379 2.593 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc(CO)cc1 ZINC000866313675 1303600544 /nfs/dbraw/zinc/60/05/44/1303600544.db2.gz GAWXCPVZDFAPFK-CYBMUJFWSA-N 1 0 332.375 2.990 20 5 EFBDRO CCn1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1=O ZINC000866350103 1303613326 /nfs/dbraw/zinc/61/33/26/1303613326.db2.gz UUWLAROFHJBZND-GFCCVEGCSA-N 1 0 333.363 2.636 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CCC1 ZINC000866352039 1303614647 /nfs/dbraw/zinc/61/46/47/1303614647.db2.gz GCYUKVAOQGIZAV-KPWVOAKYSA-N 1 0 328.409 2.556 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866350456 1303614760 /nfs/dbraw/zinc/61/47/60/1303614760.db2.gz BSEHVPSBSZKVDG-OCCSQVGLSA-N 1 0 337.395 2.513 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363985 1303615840 /nfs/dbraw/zinc/61/58/40/1303615840.db2.gz PDYPVPWYROORMJ-CHWSQXEVSA-N 1 0 339.411 2.807 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000866380876 1303617954 /nfs/dbraw/zinc/61/79/54/1303617954.db2.gz LUAFLQLKUUMANT-RISCZKNCSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000866397978 1303622966 /nfs/dbraw/zinc/62/29/66/1303622966.db2.gz LDLGURWTHHFTNW-BZNIZROVSA-N 1 0 343.358 2.818 20 5 EFBDRO Cc1nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121102150 1303670484 /nfs/dbraw/zinc/67/04/84/1303670484.db2.gz OFNPNLLAWZCRBM-CYBMUJFWSA-N 1 0 330.388 2.711 20 5 EFBDRO C[N@H+](CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC001097255581 1313932221 /nfs/dbraw/zinc/93/22/21/1313932221.db2.gz QOYFSWANKHRODE-OKILXGFUSA-N 1 0 348.447 2.632 20 5 EFBDRO CCC(CC)(CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)SC ZINC000867928167 1304023502 /nfs/dbraw/zinc/02/35/02/1304023502.db2.gz XOKLVKNCIOWFAZ-HNNXBMFYSA-N 1 0 339.461 2.807 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867941292 1304029851 /nfs/dbraw/zinc/02/98/51/1304029851.db2.gz FVUSBEAOPKYUAD-FHKFTOANSA-N 1 0 331.416 2.854 20 5 EFBDRO Cc1ccccc1C[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942290 1304030396 /nfs/dbraw/zinc/03/03/96/1304030396.db2.gz OIBSJWSRYGFZGV-LIRRHRJNSA-N 1 0 341.411 2.825 20 5 EFBDRO Cc1cccc(C)c1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944164 1304032305 /nfs/dbraw/zinc/03/23/05/1304032305.db2.gz QJJDYPXXVLLFKK-GOSISDBHSA-N 1 0 327.384 2.702 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946216 1304034229 /nfs/dbraw/zinc/03/42/29/1304034229.db2.gz DQJUDJHXGAYLOO-SFHVURJKSA-N 1 0 327.384 2.702 20 5 EFBDRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)CC2 ZINC000867947396 1304035778 /nfs/dbraw/zinc/03/57/78/1304035778.db2.gz FDEVMBKSBULBHK-HKUYNNGSSA-N 1 0 339.395 2.881 20 5 EFBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000867948660 1304036884 /nfs/dbraw/zinc/03/68/84/1304036884.db2.gz AUBSYUCRWVRPAV-SJKOYZFVSA-N 1 0 347.440 2.825 20 5 EFBDRO C[C@@H](Cc1ccsc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948258 1304037156 /nfs/dbraw/zinc/03/71/56/1304037156.db2.gz QYOKPRJWHIGGPC-ZBEGNZNMSA-N 1 0 333.413 2.578 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867979566 1304056487 /nfs/dbraw/zinc/05/64/87/1304056487.db2.gz HCVZVWHRHKCEHB-JCKWVBRZSA-N 1 0 331.416 2.854 20 5 EFBDRO C[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984345 1304058094 /nfs/dbraw/zinc/05/80/94/1304058094.db2.gz KFUCRNHDOROKAD-WILYLXEWSA-N 1 0 339.395 2.613 20 5 EFBDRO Cc1cc(C)cc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867985277 1304059327 /nfs/dbraw/zinc/05/93/27/1304059327.db2.gz ZHHNBSWWUOGSKO-GOSISDBHSA-N 1 0 327.384 2.702 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000796499907 1304197109 /nfs/dbraw/zinc/19/71/09/1304197109.db2.gz HHVLARFEPLLXEU-UHFFFAOYSA-N 1 0 341.795 2.816 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869225160 1304667844 /nfs/dbraw/zinc/66/78/44/1304667844.db2.gz GGFRVCNRVFNFNR-GFCCVEGCSA-N 1 0 337.395 2.513 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[NH2+]CC1CC1 ZINC000870862415 1305638017 /nfs/dbraw/zinc/63/80/17/1305638017.db2.gz QTCWBOWWDYMVED-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000870959346 1305711883 /nfs/dbraw/zinc/71/18/83/1305711883.db2.gz CZWVVMAVEUXBGY-UHFFFAOYSA-N 1 0 325.434 2.897 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)ncc1[N+](=O)[O-] ZINC001217979525 1315128565 /nfs/dbraw/zinc/12/85/65/1315128565.db2.gz IBIMZNYTLSCKST-WCBMZHEXSA-N 1 0 348.172 2.530 20 5 EFBDRO CC1(NC(=O)c2ccoc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045363913 1307279225 /nfs/dbraw/zinc/27/92/25/1307279225.db2.gz SXWTYJCYFLOVJH-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO Cc1cc(OCC(=O)OCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000800225061 1307584459 /nfs/dbraw/zinc/58/44/59/1307584459.db2.gz JPOYUVYKBNLGBY-UHFFFAOYSA-N 1 0 336.388 2.701 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900009693 1307595172 /nfs/dbraw/zinc/59/51/72/1307595172.db2.gz LZGLWFKCIPCAPL-UHFFFAOYSA-N 1 0 331.775 2.705 20 5 EFBDRO CC(C)[NH+](Cc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C(C)C ZINC000900590127 1308365656 /nfs/dbraw/zinc/36/56/56/1308365656.db2.gz YOBDMKARZIUSIT-QGZVFWFLSA-N 1 0 347.419 2.539 20 5 EFBDRO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000900837227 1308748681 /nfs/dbraw/zinc/74/86/81/1308748681.db2.gz CQDJKWSGBIOPHF-MRXNPFEDSA-N 1 0 335.429 2.653 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CCC([NH+](C)C)CC1 ZINC001222775138 1311182408 /nfs/dbraw/zinc/18/24/08/1311182408.db2.gz WCUBRHXKVGAFIX-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(Oc2ccccc2)cc1 ZINC001223079301 1311215619 /nfs/dbraw/zinc/21/56/19/1311215619.db2.gz HWRJWUBMULSVRP-QGZVFWFLSA-N 1 0 344.431 2.979 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001223427770 1311259345 /nfs/dbraw/zinc/25/93/45/1311259345.db2.gz UTLCLAPNNNOUAM-QBFPWWHVSA-N 1 0 348.399 2.839 20 5 EFBDRO COC(=O)c1cccc(COC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001223662998 1311288737 /nfs/dbraw/zinc/28/87/37/1311288737.db2.gz QBXQDVBGBNYISB-UHFFFAOYSA-N 1 0 334.372 2.525 20 5 EFBDRO CCOc1nc(C(Cl)(Cl)O[C@H](C)C[N+](C)(C)C)ns1 ZINC001224088671 1311341617 /nfs/dbraw/zinc/34/16/17/1311341617.db2.gz FZZHLBGPPLQIEA-MRVPVSSYSA-N 1 0 329.273 2.636 20 5 EFBDRO Cc1cnc(CO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC001224185742 1311357323 /nfs/dbraw/zinc/35/73/23/1311357323.db2.gz NKXLLCIJXYONSM-WKILWMFISA-N 1 0 349.431 2.767 20 5 EFBDRO COc1nc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ncc1[N+](=O)[O-] ZINC001158730362 1311375925 /nfs/dbraw/zinc/37/59/25/1311375925.db2.gz SLMDHHIRYHPOGG-GFCCVEGCSA-N 1 0 329.360 2.634 20 5 EFBDRO Cc1cc(Cl)nc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001158748982 1311379916 /nfs/dbraw/zinc/37/99/16/1311379916.db2.gz SUOATLUZYGNOFW-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158754139 1311380767 /nfs/dbraw/zinc/38/07/67/1311380767.db2.gz QFTNORDVZXMQLM-UHFFFAOYSA-N 1 0 333.845 2.902 20 5 EFBDRO [NH3+][C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC12COC2 ZINC001158761379 1311382631 /nfs/dbraw/zinc/38/26/31/1311382631.db2.gz BBZOAPDZMNFIJP-CYBMUJFWSA-N 1 0 340.814 2.600 20 5 EFBDRO C[N+](C)(C)CCCO[C@H](CS(C)(=O)=O)c1ccccc1Cl ZINC001224621984 1311414781 /nfs/dbraw/zinc/41/47/81/1311414781.db2.gz DZETYQOAGKFYGV-OAHLLOKOSA-N 1 0 334.889 2.539 20 5 EFBDRO COC(=O)[C@@H](OCCC[N+](C)(C)C)c1cccc(Br)c1 ZINC001224622699 1311414790 /nfs/dbraw/zinc/41/47/90/1311414790.db2.gz IWHVPGBBONOAFG-AWEZNQCLSA-N 1 0 345.257 2.776 20 5 EFBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1C=CC=CC=C1 ZINC001159026556 1311436066 /nfs/dbraw/zinc/43/60/66/1311436066.db2.gz LBPQKEUKSUBFHX-UHFFFAOYSA-N 1 0 333.413 2.551 20 5 EFBDRO COc1ccc(Nc2cccnc2OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159242127 1311479644 /nfs/dbraw/zinc/47/96/44/1311479644.db2.gz NGLNQPOACGHXHN-UHFFFAOYSA-N 1 0 344.371 2.873 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC001225251452 1311495496 /nfs/dbraw/zinc/49/54/96/1311495496.db2.gz VKKDGQYJPNPRIN-OAHLLOKOSA-N 1 0 330.404 2.842 20 5 EFBDRO Nc1cccnc1N(CC1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001159333870 1311496701 /nfs/dbraw/zinc/49/67/01/1311496701.db2.gz OBFSJWFIZZSQAA-UHFFFAOYSA-N 1 0 345.378 2.849 20 5 EFBDRO Nc1cccnc1N(CC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001159335775 1311497440 /nfs/dbraw/zinc/49/74/40/1311497440.db2.gz DWZRZBNJFFWURZ-UHFFFAOYSA-N 1 0 345.378 2.849 20 5 EFBDRO Nc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1[N+](=O)[O-] ZINC001159343215 1311499361 /nfs/dbraw/zinc/49/93/61/1311499361.db2.gz BOYGJNITTZKOCJ-UHFFFAOYSA-N 1 0 343.387 2.694 20 5 EFBDRO C[NH+](C)Cc1ccc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC001225334455 1311508792 /nfs/dbraw/zinc/50/87/92/1311508792.db2.gz UKUCQMORHWDWSK-SFHVURJKSA-N 1 0 344.367 2.874 20 5 EFBDRO C[NH+]1C(C)(C)CC(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC001159398278 1311509114 /nfs/dbraw/zinc/50/91/14/1311509114.db2.gz ZGHCEKWCFHEFAL-UHFFFAOYSA-N 1 0 337.380 2.961 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Oc1ccccc1 ZINC001225509805 1311534009 /nfs/dbraw/zinc/53/40/09/1311534009.db2.gz VVRQZLBSEYDBHN-OAHLLOKOSA-N 1 0 330.404 2.842 20 5 EFBDRO [NH3+]CCN(c1ncc([N+](=O)[O-])cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001159538187 1311536160 /nfs/dbraw/zinc/53/61/60/1311536160.db2.gz KICABBPQHUIMFN-UHFFFAOYSA-N 1 0 334.395 2.863 20 5 EFBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1[N+](=O)[O-] ZINC001159537837 1311536318 /nfs/dbraw/zinc/53/63/18/1311536318.db2.gz SXLUHWWRDSYPLI-UHFFFAOYSA-N 1 0 346.362 2.896 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1N(C(=O)OC(C)(C)C)CCC2 ZINC001225553500 1311541888 /nfs/dbraw/zinc/54/18/88/1311541888.db2.gz BLTDDULQVQZQNV-LBPRGKRZSA-N 1 0 339.460 2.571 20 5 EFBDRO C[C@H](Oc1cccnc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225630086 1311556799 /nfs/dbraw/zinc/55/67/99/1311556799.db2.gz VRMWHTZWVQOAAX-WMLDXEAASA-N 1 0 343.383 2.658 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001159637695 1311556884 /nfs/dbraw/zinc/55/68/84/1311556884.db2.gz TVYXBYNAUFKBMC-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO Cc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001159654961 1311559328 /nfs/dbraw/zinc/55/93/28/1311559328.db2.gz NIBCCWOYAUJMRC-INIZCTEOSA-N 1 0 341.415 2.812 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225659300 1311561309 /nfs/dbraw/zinc/56/13/09/1311561309.db2.gz QBDPGDNCEUYWDG-CYBMUJFWSA-N 1 0 327.178 2.830 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225660357 1311561343 /nfs/dbraw/zinc/56/13/43/1311561343.db2.gz CQDXDPCLUNVUNR-CJNGLKHVSA-N 1 0 343.383 2.985 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225659302 1311561440 /nfs/dbraw/zinc/56/14/40/1311561440.db2.gz QBDPGDNCEUYWDG-ZDUSSCGKSA-N 1 0 327.178 2.830 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(Br)cc1[N+](=O)[O-])C2 ZINC001225747574 1311572015 /nfs/dbraw/zinc/57/20/15/1311572015.db2.gz NMXZZIICDCLMGI-URLYPYJESA-N 1 0 342.193 2.756 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCc3nccn3C2)c(C(F)(F)F)c1 ZINC001225893832 1311587062 /nfs/dbraw/zinc/58/70/62/1311587062.db2.gz ZNDVBUPAAFABST-SECBINFHSA-N 1 0 328.250 2.599 20 5 EFBDRO COCCC[NH+]1CCC(Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225963365 1311595425 /nfs/dbraw/zinc/59/54/25/1311595425.db2.gz QWXISHJJJNPWNB-UHFFFAOYSA-N 1 0 330.331 2.753 20 5 EFBDRO COC(=O)c1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001226078998 1311610411 /nfs/dbraw/zinc/61/04/11/1311610411.db2.gz ABJBIRYWXRZRQH-SNVBAGLBSA-N 1 0 331.230 2.709 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2c(F)cccc2N2CC[NH2+]CC2)c1 ZINC001160057314 1311637299 /nfs/dbraw/zinc/63/72/99/1311637299.db2.gz JQTGKPQWQLOZDH-UHFFFAOYSA-N 1 0 332.335 2.593 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160062997 1311638227 /nfs/dbraw/zinc/63/82/27/1311638227.db2.gz LJNQHTKVMXTLSK-UHFFFAOYSA-N 1 0 331.351 2.591 20 5 EFBDRO CC(=O)c1ccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001226289281 1311642798 /nfs/dbraw/zinc/64/27/98/1311642798.db2.gz VRJIGZWDJIKNSL-HNNXBMFYSA-N 1 0 348.399 2.820 20 5 EFBDRO O=C(NCCC1=CC[N@H+](CCC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097863 1311643220 /nfs/dbraw/zinc/64/32/20/1311643220.db2.gz MSSISWCTPYXDPW-QZTJIDSGSA-N 1 0 349.475 2.760 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226313574 1311646585 /nfs/dbraw/zinc/64/65/85/1311646585.db2.gz SQZMOSQXQCAINB-LLVKDONJSA-N 1 0 334.294 2.713 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001160124512 1311648074 /nfs/dbraw/zinc/64/80/74/1311648074.db2.gz MEAHIXRQZDNHLP-UHFFFAOYSA-N 1 0 331.763 2.792 20 5 EFBDRO COc1ncc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160220734 1311666497 /nfs/dbraw/zinc/66/64/97/1311666497.db2.gz XUEMCPZOODJGIS-OAHLLOKOSA-N 1 0 344.371 2.873 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226442130 1311668277 /nfs/dbraw/zinc/66/82/77/1311668277.db2.gz XXKJFAZWVDMXPQ-ATCWAGBWSA-N 1 0 328.372 2.647 20 5 EFBDRO [NH3+]Cc1nccnc1Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160250836 1311673369 /nfs/dbraw/zinc/67/33/69/1311673369.db2.gz RKOKQGDFTRFUJY-UHFFFAOYSA-N 1 0 330.735 2.789 20 5 EFBDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001226577345 1311691464 /nfs/dbraw/zinc/69/14/64/1311691464.db2.gz YXPUGUNRUDJKJW-CQSZACIVSA-N 1 0 329.356 2.652 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001226593864 1311694045 /nfs/dbraw/zinc/69/40/45/1311694045.db2.gz NQRSVWWDILJCBW-INIZCTEOSA-N 1 0 341.479 2.508 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394634 1311702759 /nfs/dbraw/zinc/70/27/59/1311702759.db2.gz LJSDONSLFSDATG-BZNIZROVSA-N 1 0 327.340 2.795 20 5 EFBDRO Nc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160418587 1311706206 /nfs/dbraw/zinc/70/62/06/1311706206.db2.gz DEEAUUSBGWMAIL-UHFFFAOYSA-N 1 0 327.266 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC001226713069 1311711446 /nfs/dbraw/zinc/71/14/46/1311711446.db2.gz VAYWYAAYTIGAIP-KRWDZBQOSA-N 1 0 343.383 2.660 20 5 EFBDRO O=C(/C=C/C1CC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226777534 1311721524 /nfs/dbraw/zinc/72/15/24/1311721524.db2.gz DADWIAPXLFIXQW-VOTSOKGWSA-N 1 0 329.400 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCc2nccn2C1 ZINC001226789143 1311723423 /nfs/dbraw/zinc/72/34/23/1311723423.db2.gz JJFRQGJJALAJDY-JTQLQIEISA-N 1 0 338.161 2.948 20 5 EFBDRO COc1cc(C)nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160661084 1311753619 /nfs/dbraw/zinc/75/36/19/1311753619.db2.gz CQBLWMWCJHMFKB-ZDUSSCGKSA-N 1 0 344.415 2.908 20 5 EFBDRO COc1nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC001160662369 1311754346 /nfs/dbraw/zinc/75/43/46/1311754346.db2.gz QHXCDQOQOADDRP-CYBMUJFWSA-N 1 0 330.388 2.600 20 5 EFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001227112255 1311763314 /nfs/dbraw/zinc/76/33/14/1311763314.db2.gz ZILANRMCIAIVLH-PJXYFTJBSA-N 1 0 336.348 2.681 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001160734789 1311771410 /nfs/dbraw/zinc/77/14/10/1311771410.db2.gz KIMRIYAVZNHOTF-ROUUACIJSA-N 1 0 348.446 2.922 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160738742 1311771798 /nfs/dbraw/zinc/77/17/98/1311771798.db2.gz UWQQZZJXPLSIPD-CBAPKCEASA-N 1 0 338.717 2.904 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001227187300 1311774145 /nfs/dbraw/zinc/77/41/45/1311774145.db2.gz MDPGEHGBTFEDPB-OTVXOJSOSA-N 1 0 336.388 2.626 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001160765104 1311776872 /nfs/dbraw/zinc/77/68/72/1311776872.db2.gz SFCHFRHZJZLYRT-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3nc4ccc([N+](=O)[O-])cc4o3)O2)CC1 ZINC001227230634 1311779833 /nfs/dbraw/zinc/77/98/33/1311779833.db2.gz UECATBWNVRIUTQ-CYBMUJFWSA-N 1 0 347.371 2.758 20 5 EFBDRO CC[NH+]1CCC(Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001227256027 1311783693 /nfs/dbraw/zinc/78/36/93/1311783693.db2.gz AXODAWLTXWCIKC-UHFFFAOYSA-N 1 0 330.182 2.615 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256749 1311783862 /nfs/dbraw/zinc/78/38/62/1311783862.db2.gz NLDMSYJIBYMEDK-SECBINFHSA-N 1 0 330.182 2.614 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227285433 1311788480 /nfs/dbraw/zinc/78/84/80/1311788480.db2.gz CKKAAXSVJUIENK-QMMMGPOBSA-N 1 0 333.157 2.969 20 5 EFBDRO C[NH+]1CCC(Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001227287703 1311789119 /nfs/dbraw/zinc/78/91/19/1311789119.db2.gz VJVZBXCLPHFTOV-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO C[C@H](C[NH+](C)C)Oc1cc2c(cc1O)oc1cccc(O)c1c2=O ZINC001227307378 1311791377 /nfs/dbraw/zinc/79/13/77/1311791377.db2.gz WINUURRPHNXBRP-SNVBAGLBSA-N 1 0 329.352 2.686 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1I ZINC001227318108 1311792910 /nfs/dbraw/zinc/79/29/10/1311792910.db2.gz MYZCNUGESBTEEB-VIFPVBQESA-N 1 0 338.184 2.904 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(I)ccc1F ZINC001227337796 1311795163 /nfs/dbraw/zinc/79/51/63/1311795163.db2.gz MZWREJKSZAQEHQ-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO COc1ncnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001160842654 1311795367 /nfs/dbraw/zinc/79/53/67/1311795367.db2.gz ITRSUGDUGOKXFK-UHFFFAOYSA-N 1 0 341.371 2.574 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1C[NH+]2CCC1CC2 ZINC001227365127 1311798282 /nfs/dbraw/zinc/79/82/82/1311798282.db2.gz ZPEVIICWHZDYFJ-AWEZNQCLSA-N 1 0 334.763 2.664 20 5 EFBDRO Cc1cc(NCc2ccccc2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160907856 1311807228 /nfs/dbraw/zinc/80/72/28/1311807228.db2.gz CMPZNQADQQANDW-UHFFFAOYSA-N 1 0 349.394 2.853 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001160914153 1311808598 /nfs/dbraw/zinc/80/85/98/1311808598.db2.gz HBOQRHPKRZHDSN-YFKPBYRVSA-N 1 0 341.721 2.842 20 5 EFBDRO CCC(CC)[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001161098290 1311856365 /nfs/dbraw/zinc/85/63/65/1311856365.db2.gz JXHKWUAAIZDMGD-UHFFFAOYSA-N 1 0 342.827 2.947 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525254 1311861170 /nfs/dbraw/zinc/86/11/70/1311861170.db2.gz QDVRSQOKKXATQS-CWQOZTLDSA-N 1 0 349.475 2.591 20 5 EFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525493 1311862141 /nfs/dbraw/zinc/86/21/41/1311862141.db2.gz XGMOKVPRDUECHQ-CWQOZTLDSA-N 1 0 349.475 2.591 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccnc(Cl)c3[N+](=O)[O-])O2)CC1 ZINC001228054811 1311895171 /nfs/dbraw/zinc/89/51/71/1311895171.db2.gz PDHABFIXESFMQH-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001228058945 1311895892 /nfs/dbraw/zinc/89/58/92/1311895892.db2.gz YRQTWFDUPRGAED-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO COCCC1(CNc2nc(Cl)cc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161503370 1311902056 /nfs/dbraw/zinc/90/20/56/1311902056.db2.gz HIRVFADQQVLTCQ-UHFFFAOYSA-N 1 0 342.827 2.770 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2c3ccccc3cc3ccccc32)CC12COC2 ZINC001161506675 1311902763 /nfs/dbraw/zinc/90/27/63/1311902763.db2.gz NQHJXLABAZUKSR-SFHVURJKSA-N 1 0 332.403 2.793 20 5 EFBDRO COCCC1(CNc2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]CC1 ZINC001161505065 1311903169 /nfs/dbraw/zinc/90/31/69/1311903169.db2.gz KXPJVVPAIATIQM-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO Cc1cc(C)nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001161575843 1311920744 /nfs/dbraw/zinc/92/07/44/1311920744.db2.gz LHCQJISVIABZJL-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CCCCOC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001228491471 1311955449 /nfs/dbraw/zinc/95/54/49/1311955449.db2.gz ORRIRBOOGUVRIV-LBPRGKRZSA-O 1 0 326.413 2.528 20 5 EFBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4nc5ccccc5nc43)[C@H]1CC(=O)C2 ZINC001228521067 1311960277 /nfs/dbraw/zinc/96/02/77/1311960277.db2.gz HCNUEMPTACFGEH-OEPMTFCVSA-N 1 0 333.391 2.966 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c(CN(C)C)c1 ZINC001228544987 1311962833 /nfs/dbraw/zinc/96/28/33/1311962833.db2.gz CHWYUYWHYPLXDX-LBPRGKRZSA-N 1 0 330.290 2.984 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228657758 1311976358 /nfs/dbraw/zinc/97/63/58/1311976358.db2.gz QNMVQRSSKVHAQX-XJKSGUPXSA-N 1 0 328.372 2.674 20 5 EFBDRO COc1ccc(C(=O)CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001161802786 1311976430 /nfs/dbraw/zinc/97/64/30/1311976430.db2.gz OIZWDNBUCULRSF-UHFFFAOYSA-N 1 0 327.340 2.501 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001228687728 1311981960 /nfs/dbraw/zinc/98/19/60/1311981960.db2.gz AFMFBYQJAYVMMA-CHWSQXEVSA-N 1 0 344.371 2.613 20 5 EFBDRO [NH3+]C1CCN(CCNc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001161872490 1311991330 /nfs/dbraw/zinc/99/13/30/1311991330.db2.gz FEFVEMUGGVGFQD-UHFFFAOYSA-N 1 0 349.822 2.631 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)nnc2ccccc21 ZINC001228760393 1311994565 /nfs/dbraw/zinc/99/45/65/1311994565.db2.gz MOVUFMGWMCEMMG-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1nncc2ccc(Br)cc21 ZINC001228767015 1311995467 /nfs/dbraw/zinc/99/54/67/1311995467.db2.gz ZDIZMHBARDPZAV-SNVBAGLBSA-N 1 0 325.230 2.866 20 5 EFBDRO Cc1cccnc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161887070 1311995718 /nfs/dbraw/zinc/99/57/18/1311995718.db2.gz SETKZBQKTXVMFO-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161886113 1311995908 /nfs/dbraw/zinc/99/59/08/1311995908.db2.gz RPMRUUGSSITDDZ-INIZCTEOSA-N 1 0 342.399 2.613 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nc1C(F)(F)F ZINC001228807108 1312002354 /nfs/dbraw/zinc/00/23/54/1312002354.db2.gz TYPFRRLMVJELRT-JTQLQIEISA-N 1 0 335.346 2.751 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228936477 1312023301 /nfs/dbraw/zinc/02/33/01/1312023301.db2.gz IPXRDXZBOOWZIE-GFCCVEGCSA-N 1 0 330.388 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)nc1Cl ZINC001228939122 1312023651 /nfs/dbraw/zinc/02/36/51/1312023651.db2.gz UDNRTPWRLGAZEO-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001228962109 1312027824 /nfs/dbraw/zinc/02/78/24/1312027824.db2.gz FLCYPNJMWDTAHF-LLVKDONJSA-N 1 0 342.779 2.898 20 5 EFBDRO O=[N+]([O-])c1c([O-])cc(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228968752 1312028680 /nfs/dbraw/zinc/02/86/80/1312028680.db2.gz OYPLDLYUCOISEY-AWEZNQCLSA-N 1 0 330.340 2.659 20 5 EFBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001228975051 1312030655 /nfs/dbraw/zinc/03/06/55/1312030655.db2.gz XUPPILGRWJJVQP-AWEZNQCLSA-N 1 0 348.399 2.820 20 5 EFBDRO CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048679999 1312039018 /nfs/dbraw/zinc/03/90/18/1312039018.db2.gz MKZTWDPFQHAMBF-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO CCC1(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001229065178 1312043464 /nfs/dbraw/zinc/04/34/64/1312043464.db2.gz LELUBNHDKMJTBT-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO CCC(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048688307 1312046076 /nfs/dbraw/zinc/04/60/76/1312046076.db2.gz AVHDNYMNYMUBTH-CALCHBBNSA-N 1 0 345.443 2.921 20 5 EFBDRO CC(C)(C)[NH+]1CC(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001162226767 1312071511 /nfs/dbraw/zinc/07/15/11/1312071511.db2.gz WSKCCTHPOKRBIG-UHFFFAOYSA-N 1 0 327.388 2.946 20 5 EFBDRO [NH3+]Cc1cn(-c2c3ccc(Br)cc3ncc2[N+](=O)[O-])cn1 ZINC001162302046 1312084721 /nfs/dbraw/zinc/08/47/21/1312084721.db2.gz IYNFNBPDUCHBQY-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@]2(C)CCC[N@H+](C)C2)n1 ZINC001162340883 1312090081 /nfs/dbraw/zinc/09/00/81/1312090081.db2.gz IDCMVTOPXPDJOB-GFCCVEGCSA-N 1 0 331.829 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162351581 1312092864 /nfs/dbraw/zinc/09/28/64/1312092864.db2.gz WYIOYVDKCLSPRG-QGZVFWFLSA-N 1 0 327.388 2.872 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454617 1312099571 /nfs/dbraw/zinc/09/95/71/1312099571.db2.gz ODQNBHOYBKCRBR-RDTXWAMCSA-N 1 0 343.383 2.518 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)c([N+](=O)[O-])c(C)c3)C[C@H]1[N@@H+]2C ZINC001229469444 1312101538 /nfs/dbraw/zinc/10/15/38/1312101538.db2.gz HLSDTAAMRWCQCF-QMCVQRASSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001229485646 1312103163 /nfs/dbraw/zinc/10/31/63/1312103163.db2.gz CEMAICAPWXUHAZ-MQMHXKEQSA-N 1 0 347.371 2.758 20 5 EFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162472345 1312109902 /nfs/dbraw/zinc/10/99/02/1312109902.db2.gz WUIROIAJYKYDFD-ZIAGYGMSSA-N 1 0 332.448 2.630 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162472942 1312110368 /nfs/dbraw/zinc/11/03/68/1312110368.db2.gz ZWAPFVBHCYEVCC-YPMHNXCESA-N 1 0 335.404 2.737 20 5 EFBDRO Cc1cncc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001162478922 1312111350 /nfs/dbraw/zinc/11/13/50/1312111350.db2.gz FBKMRZQPYHQMHP-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162552500 1312123205 /nfs/dbraw/zinc/12/32/05/1312123205.db2.gz JONSZZSAWDKQRU-DGCLKSJQSA-N 1 0 327.388 2.770 20 5 EFBDRO C[NH+](C)Cc1ccccc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001229701009 1312125158 /nfs/dbraw/zinc/12/51/58/1312125158.db2.gz GOXXLDOWIANGFA-INIZCTEOSA-N 1 0 342.399 2.709 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162572202 1312126713 /nfs/dbraw/zinc/12/67/13/1312126713.db2.gz BGCAFMXFPRIMEF-AWEZNQCLSA-N 1 0 343.790 2.809 20 5 EFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001229868890 1312151948 /nfs/dbraw/zinc/15/19/48/1312151948.db2.gz OPOPCVOOEYRUNZ-LLVKDONJSA-N 1 0 339.348 2.683 20 5 EFBDRO C[NH+]1CCC(Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229899808 1312156410 /nfs/dbraw/zinc/15/64/10/1312156410.db2.gz YGEWTTVIBNTMFI-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001229898884 1312156477 /nfs/dbraw/zinc/15/64/77/1312156477.db2.gz DYFUPUJEFFJFHM-UHFFFAOYSA-N 1 0 336.388 2.941 20 5 EFBDRO COC(=O)c1cc(OC2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229941097 1312162223 /nfs/dbraw/zinc/16/22/23/1312162223.db2.gz HZYMSBZJGPZMFN-UHFFFAOYSA-N 1 0 340.351 2.772 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001229960196 1312163105 /nfs/dbraw/zinc/16/31/05/1312163105.db2.gz IXPBOHBSCFDWNE-ZDUSSCGKSA-N 1 0 336.388 2.941 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001229960191 1312163237 /nfs/dbraw/zinc/16/32/37/1312163237.db2.gz IXPBOHBSCFDWNE-CYBMUJFWSA-N 1 0 336.388 2.941 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2Cc3ccccc3C[C@H]2C[NH3+])nc1Cl ZINC001162740914 1312164585 /nfs/dbraw/zinc/16/45/85/1312164585.db2.gz ZUTAZNUSCLHASV-ZDUSSCGKSA-N 1 0 332.791 2.842 20 5 EFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001162777560 1312174105 /nfs/dbraw/zinc/17/41/05/1312174105.db2.gz UJSDUBOWSYNJCK-QMMMGPOBSA-N 1 0 340.368 2.958 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2ncc(Br)c(C)c2[N+](=O)[O-])C1 ZINC001230036887 1312175897 /nfs/dbraw/zinc/17/58/97/1312175897.db2.gz DWOUSOPREWOUFQ-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001162796952 1312177970 /nfs/dbraw/zinc/17/79/70/1312177970.db2.gz HWYKXMKBRCVJDJ-DUFXMDAXSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162804078 1312178848 /nfs/dbraw/zinc/17/88/48/1312178848.db2.gz ZUDSGYNOTMKYKB-GRYCIOLGSA-N 1 0 330.775 2.982 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162841701 1312188423 /nfs/dbraw/zinc/18/84/23/1312188423.db2.gz MSDOPDTVGCZBQE-NSHDSACASA-N 1 0 345.790 2.937 20 5 EFBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001162848033 1312188715 /nfs/dbraw/zinc/18/87/15/1312188715.db2.gz DKKMSXVDYHANIJ-SNVBAGLBSA-N 1 0 327.369 2.621 20 5 EFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162854500 1312190770 /nfs/dbraw/zinc/19/07/70/1312190770.db2.gz UMCRRUUUICGGQW-CYBMUJFWSA-N 1 0 341.367 2.711 20 5 EFBDRO C[NH+]1C(C)(C)CC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1(C)C ZINC001230230653 1312208062 /nfs/dbraw/zinc/20/80/62/1312208062.db2.gz YGXZSMNUHJKLCE-UHFFFAOYSA-N 1 0 333.392 2.896 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162957857 1312211815 /nfs/dbraw/zinc/21/18/15/1312211815.db2.gz UFCDHMIKGRJCOR-NSHDSACASA-N 1 0 340.811 2.604 20 5 EFBDRO CCCC(C[NH3+])(CCC)Nc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC001163040989 1312230711 /nfs/dbraw/zinc/23/07/11/1312230711.db2.gz YMLJYDZYFQYGQM-UHFFFAOYSA-N 1 0 338.408 2.876 20 5 EFBDRO CCCC(C[NH3+])(CCC)Nc1ncc([N+](=O)[O-])cc1C(=O)OCC ZINC001163038981 1312230791 /nfs/dbraw/zinc/23/07/91/1312230791.db2.gz XKTNSCICZWFTBI-UHFFFAOYSA-N 1 0 338.408 2.876 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163056433 1312233434 /nfs/dbraw/zinc/23/34/34/1312233434.db2.gz RHGSSTBASRRBQE-LLVKDONJSA-N 1 0 335.795 2.666 20 5 EFBDRO Cc1ccc2c(ccnc2NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082896 1312238033 /nfs/dbraw/zinc/23/80/33/1312238033.db2.gz VFLXKGVORNDHSO-CYBMUJFWSA-N 1 0 342.399 2.632 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163094918 1312239134 /nfs/dbraw/zinc/23/91/34/1312239134.db2.gz MVLCVRKTKZLEEQ-WXJAXGNASA-N 1 0 337.807 2.768 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095853 1312239925 /nfs/dbraw/zinc/23/99/25/1312239925.db2.gz MOEHZTSDYVCYCX-AWEZNQCLSA-N 1 0 349.431 2.871 20 5 EFBDRO CCCN1CCO[C@@H]2c3cc(O[C@@H](C)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230428424 1312241512 /nfs/dbraw/zinc/24/15/12/1312241512.db2.gz YFMQUSXNLPSJON-QKYXUNIQSA-N 1 0 349.495 2.704 20 5 EFBDRO Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490448 1312248275 /nfs/dbraw/zinc/24/82/75/1312248275.db2.gz BFWVUDHEJCNHPV-ATCWAGBWSA-N 1 0 335.360 2.921 20 5 EFBDRO C[C@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230507307 1312250184 /nfs/dbraw/zinc/25/01/84/1312250184.db2.gz NBOYOMQRZWKHJB-QMMMGPOBSA-N 1 0 342.311 2.922 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163176478 1312257969 /nfs/dbraw/zinc/25/79/69/1312257969.db2.gz RTHYNRBBMKDJCN-GBDBHKPHSA-N 1 0 337.807 2.624 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3nccc(Cl)c3[N+](=O)[O-])cn2)cc1 ZINC001163215873 1312265640 /nfs/dbraw/zinc/26/56/40/1312265640.db2.gz PMNHTKPRLGLKIV-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO COc1nc(C)c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001163216031 1312265841 /nfs/dbraw/zinc/26/58/41/1312265841.db2.gz VQFIFQWLURBFQT-CJNGLKHVSA-N 1 0 328.372 2.822 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3ncnc4cccc([N+](=O)[O-])c43)cn2)cc1 ZINC001163222152 1312267513 /nfs/dbraw/zinc/26/75/13/1312267513.db2.gz ZJEMUEUJRWRONG-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO COC(=O)Cc1ccc(N[C@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163231143 1312270514 /nfs/dbraw/zinc/27/05/14/1312270514.db2.gz URZGODJUNJIUNZ-ZDUSSCGKSA-N 1 0 347.396 2.628 20 5 EFBDRO COC(=O)c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc([N+](=O)[O-])c1 ZINC001163230290 1312270533 /nfs/dbraw/zinc/27/05/33/1312270533.db2.gz OBSWNZKKQOSVMJ-CYBMUJFWSA-N 1 0 333.369 2.699 20 5 EFBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163230403 1312270964 /nfs/dbraw/zinc/27/09/64/1312270964.db2.gz WJRMLRVGMIGJPP-JTQLQIEISA-N 1 0 333.398 2.917 20 5 EFBDRO COC(=O)Cc1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1[N+](=O)[O-] ZINC001163231141 1312271059 /nfs/dbraw/zinc/27/10/59/1312271059.db2.gz URZGODJUNJIUNZ-CYBMUJFWSA-N 1 0 347.396 2.628 20 5 EFBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163230405 1312271067 /nfs/dbraw/zinc/27/10/67/1312271067.db2.gz WJRMLRVGMIGJPP-SNVBAGLBSA-N 1 0 333.398 2.917 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163272948 1312279487 /nfs/dbraw/zinc/27/94/87/1312279487.db2.gz WRUOAXIOFUCFEG-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163272949 1312279668 /nfs/dbraw/zinc/27/96/68/1312279668.db2.gz WRUOAXIOFUCFEG-FZKQIMNGSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163272348 1312279691 /nfs/dbraw/zinc/27/96/91/1312279691.db2.gz OEMJKTWFRIWUQS-AWEZNQCLSA-N 1 0 335.367 2.664 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163277671 1312280764 /nfs/dbraw/zinc/28/07/64/1312280764.db2.gz FSIKJLDEGFTQCM-XHDPSFHLSA-N 1 0 325.796 2.819 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc2cnccc21 ZINC001163284598 1312282176 /nfs/dbraw/zinc/28/21/76/1312282176.db2.gz MMUSDYHFVQKTQK-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO [NH3+]C[C@@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC001163292605 1312283469 /nfs/dbraw/zinc/28/34/69/1312283469.db2.gz UPZZUGFXSPMAHX-MRVPVSSYSA-N 1 0 328.159 2.804 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308229 1312285864 /nfs/dbraw/zinc/28/58/64/1312285864.db2.gz CHSSGBKRPMROSY-PIGZYNQJSA-N 1 0 346.362 2.605 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)c1 ZINC001163314963 1312287435 /nfs/dbraw/zinc/28/74/35/1312287435.db2.gz ZJQSFHBWSDIYKS-AWEZNQCLSA-N 1 0 346.387 2.898 20 5 EFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163318837 1312288743 /nfs/dbraw/zinc/28/87/43/1312288743.db2.gz APDZHQCRBNLMTC-HNNXBMFYSA-N 1 0 346.431 2.769 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163319225 1312288763 /nfs/dbraw/zinc/28/87/63/1312288763.db2.gz CXURYFJQNODFLA-CYBMUJFWSA-N 1 0 331.420 2.805 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001163320952 1312289142 /nfs/dbraw/zinc/28/91/42/1312289142.db2.gz AZDMMJCNEYSAGH-BXUZGUMPSA-N 1 0 345.321 2.937 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001163400502 1312304790 /nfs/dbraw/zinc/30/47/90/1312304790.db2.gz QXWCCPHCGKGPEE-UHFFFAOYSA-N 1 0 342.399 2.613 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001163469805 1312319480 /nfs/dbraw/zinc/31/94/80/1312319480.db2.gz ZYOWNPCHXNDXEU-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nncn1C ZINC000903065649 1312321149 /nfs/dbraw/zinc/32/11/49/1312321149.db2.gz RSFUKYVLFMTHKH-IAQYHMDHSA-N 1 0 335.383 2.780 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(CC(C)=O)c1F ZINC001230794832 1312345798 /nfs/dbraw/zinc/34/57/98/1312345798.db2.gz WPDHAOAUYZVRJB-LBPRGKRZSA-N 1 0 326.368 2.975 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163645802 1312353925 /nfs/dbraw/zinc/35/39/25/1312353925.db2.gz DPKXNMUXECBVPN-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163649554 1312354509 /nfs/dbraw/zinc/35/45/09/1312354509.db2.gz AAXGHXURQJJQHU-DLBZAZTESA-N 1 0 335.404 2.625 20 5 EFBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])c(C)c[n+]2[O-])c2ccc(C[NH3+])cc12 ZINC001163755299 1312377875 /nfs/dbraw/zinc/37/78/75/1312377875.db2.gz AASKWMRVMZGZES-UHFFFAOYSA-N 1 0 326.356 2.556 20 5 EFBDRO Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001163908025 1312406224 /nfs/dbraw/zinc/40/62/24/1312406224.db2.gz GELGTVSZLAVIET-UHFFFAOYSA-N 1 0 327.388 2.772 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001163919146 1312407803 /nfs/dbraw/zinc/40/78/03/1312407803.db2.gz YEXXNOLWQBXBQM-UHFFFAOYSA-N 1 0 343.427 2.937 20 5 EFBDRO O=C(/C=C\C1CC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163941102 1312411615 /nfs/dbraw/zinc/41/16/15/1312411615.db2.gz XWUGMOHAZPLPNL-SREVYHEPSA-N 1 0 343.427 2.937 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164068514 1312440689 /nfs/dbraw/zinc/44/06/89/1312440689.db2.gz GGKSCQOYBUAXKQ-RKDXNWHRSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164071403 1312441218 /nfs/dbraw/zinc/44/12/18/1312441218.db2.gz SPMIEPVPIBMNIJ-IUCAKERBSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164071400 1312441664 /nfs/dbraw/zinc/44/16/64/1312441664.db2.gz SPMIEPVPIBMNIJ-BDAKNGLRSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@@H](C)CC[C@H]3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001164073652 1312442141 /nfs/dbraw/zinc/44/21/41/1312442141.db2.gz NLZCPZAGPBENMA-WFASDCNBSA-N 1 0 341.415 2.924 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001164077055 1312442522 /nfs/dbraw/zinc/44/25/22/1312442522.db2.gz HDLCXNUOWWKNEE-WCQYABFASA-N 1 0 345.378 2.755 20 5 EFBDRO Cc1cc(N2C[C@H](C)CC[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164080128 1312442942 /nfs/dbraw/zinc/44/29/42/1312442942.db2.gz ZQEGFXKANWQJEF-MLGOLLRUSA-N 1 0 341.415 2.924 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231218051 1312455630 /nfs/dbraw/zinc/45/56/30/1312455630.db2.gz XJTFVRVVFUFITB-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231242641 1312462188 /nfs/dbraw/zinc/46/21/88/1312462188.db2.gz FHMPMEMDAAJCRG-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C\c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001231295150 1312473163 /nfs/dbraw/zinc/47/31/63/1312473163.db2.gz LTYKPWBBTOXTJH-HJWRWDBZSA-N 1 0 343.383 2.839 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001164242212 1312476365 /nfs/dbraw/zinc/47/63/65/1312476365.db2.gz IVALOHNJOLLKNR-ZDUSSCGKSA-N 1 0 345.856 2.715 20 5 EFBDRO COc1cc2ncnc(N3CCC[C@@](C)(C[NH3+])CC3)c2cc1[N+](=O)[O-] ZINC001164247988 1312477989 /nfs/dbraw/zinc/47/79/89/1312477989.db2.gz PPTFEECMXWFMBN-QGZVFWFLSA-N 1 0 345.403 2.502 20 5 EFBDRO CCn1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001164452974 1312516811 /nfs/dbraw/zinc/51/68/11/1312516811.db2.gz NWBXVQIIELDALG-UHFFFAOYSA-N 1 0 344.415 2.634 20 5 EFBDRO Cc1cc(N2C[C@H](C[NH3+])CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164474747 1312521067 /nfs/dbraw/zinc/52/10/67/1312521067.db2.gz UTVBCYLUPZOTOO-KGLIPLIRSA-N 1 0 341.415 2.924 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164474257 1312521292 /nfs/dbraw/zinc/52/12/92/1312521292.db2.gz OIUGNIJXUUUCKH-STQMWFEESA-N 1 0 327.388 2.615 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164486169 1312523758 /nfs/dbraw/zinc/52/37/58/1312523758.db2.gz LJOYNCSSUGDHJH-HRCADAONSA-N 1 0 339.399 2.707 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC001164608014 1312549052 /nfs/dbraw/zinc/54/90/52/1312549052.db2.gz LSUVUELHWOHWSD-CQSZACIVSA-N 1 0 346.818 2.973 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1cc[nH]c1 ZINC001164608638 1312549326 /nfs/dbraw/zinc/54/93/26/1312549326.db2.gz MSGAFFVFJYMXCY-UHFFFAOYSA-N 1 0 348.428 2.674 20 5 EFBDRO CC[NH+]1CCC(N(C)c2nc(Cl)nc(SC)c2[N+](=O)[O-])CC1 ZINC001165068317 1312562438 /nfs/dbraw/zinc/56/24/38/1312562438.db2.gz QOCPZLVHJQNUHS-UHFFFAOYSA-N 1 0 345.856 2.681 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC[C@@H]3C[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001165076663 1312563584 /nfs/dbraw/zinc/56/35/84/1312563584.db2.gz IQRRZCDVPDIBDL-OAHLLOKOSA-N 1 0 341.415 2.891 20 5 EFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001165111331 1312570020 /nfs/dbraw/zinc/57/00/20/1312570020.db2.gz WGLDMURBJISYJQ-MRXNPFEDSA-N 1 0 348.447 2.686 20 5 EFBDRO C[NH+](C)C1(C)CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001165120844 1312572014 /nfs/dbraw/zinc/57/20/14/1312572014.db2.gz FEVGRCZVCYKZQW-UHFFFAOYSA-N 1 0 347.806 2.846 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC001165198756 1312584038 /nfs/dbraw/zinc/58/40/38/1312584038.db2.gz GBJRPDRSOUERKV-SECBINFHSA-N 1 0 345.856 2.679 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903344425 1312584535 /nfs/dbraw/zinc/58/45/35/1312584535.db2.gz VWCWVDCHYGAKDC-NVXWUHKLSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1-n1ncc2c1CC[NH2+]C2 ZINC001165223960 1312590480 /nfs/dbraw/zinc/59/04/80/1312590480.db2.gz XLJYAOACTDEOFN-UHFFFAOYSA-N 1 0 329.747 2.628 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001165243397 1312593830 /nfs/dbraw/zinc/59/38/30/1312593830.db2.gz JUCJTKKNAYTWOI-UHFFFAOYSA-N 1 0 347.806 2.899 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC(F)(C[NH3+])CC3)nn2)cc1[N+](=O)[O-] ZINC001165263700 1312597940 /nfs/dbraw/zinc/59/79/40/1312597940.db2.gz TXEQTNFXUZNPPW-UHFFFAOYSA-N 1 0 345.378 2.627 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCCCC34CC[NH2+]CC4)c2c1 ZINC001165335956 1312611502 /nfs/dbraw/zinc/61/15/02/1312611502.db2.gz YXRMHLOGHZYQLK-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCCCC34CC[NH2+]CC4)c21 ZINC001165340213 1312612701 /nfs/dbraw/zinc/61/27/01/1312612701.db2.gz NMHQBBAIPUXURZ-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165351719 1312614095 /nfs/dbraw/zinc/61/40/95/1312614095.db2.gz MCMQGZXQQKOKFJ-FUHWJXTLSA-N 1 0 347.378 2.614 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)cnc2c1 ZINC001165350368 1312614220 /nfs/dbraw/zinc/61/42/20/1312614220.db2.gz VRXCTRIOMJISNH-MAUKXSAKSA-N 1 0 347.378 2.614 20 5 EFBDRO CCc1cc(N2CCC[C@H]3[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165397594 1312620951 /nfs/dbraw/zinc/62/09/51/1312620951.db2.gz WTTZUQLIGCVGOK-HZPDHXFCSA-N 1 0 339.399 2.555 20 5 EFBDRO CCc1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165397593 1312621038 /nfs/dbraw/zinc/62/10/38/1312621038.db2.gz WTTZUQLIGCVGOK-HOTGVXAUSA-N 1 0 339.399 2.555 20 5 EFBDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1=O ZINC000903389077 1312624760 /nfs/dbraw/zinc/62/47/60/1312624760.db2.gz RMYGSRYDHGFTQF-RISCZKNCSA-N 1 0 337.445 2.978 20 5 EFBDRO COc1ccnc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001165426843 1312628306 /nfs/dbraw/zinc/62/83/06/1312628306.db2.gz DUIRDKNMVVYDAP-UHFFFAOYSA-N 1 0 328.372 2.542 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]2CF)CC1 ZINC001165433443 1312630376 /nfs/dbraw/zinc/63/03/76/1312630376.db2.gz WJVILKYKJZSYQN-STQMWFEESA-N 1 0 330.363 2.656 20 5 EFBDRO COc1nc(C)c(NCC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165454487 1312632766 /nfs/dbraw/zinc/63/27/66/1312632766.db2.gz NWYRTMCPICYMCK-UHFFFAOYSA-N 1 0 342.399 2.851 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(CCO)cc2)n1 ZINC000903402273 1312634892 /nfs/dbraw/zinc/63/48/92/1312634892.db2.gz ANZOXNVWHPFNOD-IRXDYDNUSA-N 1 0 344.415 2.600 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(CCO)cc1 ZINC000903404245 1312636111 /nfs/dbraw/zinc/63/61/11/1312636111.db2.gz YVNUSMBNYLZZBM-ZDUSSCGKSA-N 1 0 332.375 2.990 20 5 EFBDRO Cc1cccc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001165595730 1312650689 /nfs/dbraw/zinc/65/06/89/1312650689.db2.gz CQPOJHOVQBOPFX-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232219280 1312651500 /nfs/dbraw/zinc/65/15/00/1312651500.db2.gz OVESBAFEKODKCJ-UHFFFAOYSA-N 1 0 346.434 2.885 20 5 EFBDRO O=C1NC[C@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232223751 1312651786 /nfs/dbraw/zinc/65/17/86/1312651786.db2.gz VRMCTIIOLSFPAG-FQEVSTJZSA-N 1 0 348.406 2.857 20 5 EFBDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228929 1312653111 /nfs/dbraw/zinc/65/31/11/1312653111.db2.gz VRWPMMKNTHVSMQ-SFHVURJKSA-N 1 0 334.423 2.836 20 5 EFBDRO O=[N+]([O-])c1c(NC2CCC(C(F)(F)F)CC2)ncnc1C1C[NH2+]C1 ZINC001165625472 1312654223 /nfs/dbraw/zinc/65/42/23/1312654223.db2.gz XIOQGWKVMDAGHA-UHFFFAOYSA-N 1 0 345.325 2.605 20 5 EFBDRO CC(C)(C)N(c1cccc([N+](=O)[O-])n1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668657 1312659223 /nfs/dbraw/zinc/65/92/23/1312659223.db2.gz BXZUVZXDBPPFJS-CYBMUJFWSA-N 1 0 334.420 2.506 20 5 EFBDRO COc1ccc2[nH+]c(N)n(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2c1 ZINC001211290809 1314470159 /nfs/dbraw/zinc/47/01/59/1314470159.db2.gz MDUMXRLIKJOTNH-UHFFFAOYSA-N 1 0 343.299 2.741 20 5 EFBDRO Cc1c(Nc2cnc3c(c2)C[N@H+](C)CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292596 1314470177 /nfs/dbraw/zinc/47/01/77/1314470177.db2.gz PDTMRPDLIWJFQY-UHFFFAOYSA-N 1 0 343.343 2.938 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001019950536 1314547773 /nfs/dbraw/zinc/54/77/73/1314547773.db2.gz AEBOSGSWDALPKZ-WKILWMFISA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001019952083 1314548389 /nfs/dbraw/zinc/54/83/89/1314548389.db2.gz AQDDVCIOHZFJNU-XYPYZODXSA-N 1 0 337.426 2.768 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC001019967467 1314551385 /nfs/dbraw/zinc/55/13/85/1314551385.db2.gz MNEVGKPTEIFGOO-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001246085057 1314580813 /nfs/dbraw/zinc/58/08/13/1314580813.db2.gz VPFZCBXHOIEZNV-UKRRQHHQSA-N 1 0 343.349 2.726 20 5 EFBDRO Cc1ccc(Nc2cncc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001213666049 1314587957 /nfs/dbraw/zinc/58/79/57/1314587957.db2.gz YXOSPZGTQNYLGB-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCNCc2ccccc2)c([N+](=O)[O-])c1 ZINC001246166992 1314592407 /nfs/dbraw/zinc/59/24/07/1314592407.db2.gz AHFBNXBOIJXKPH-HNNXBMFYSA-N 1 0 343.427 2.914 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)oc1C ZINC001020073542 1314598815 /nfs/dbraw/zinc/59/88/15/1314598815.db2.gz DQGBJXQJWDESNB-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)oc1C ZINC001020073935 1314600112 /nfs/dbraw/zinc/60/01/12/1314600112.db2.gz QXWDQDYFESMVST-SHTZXODSSA-N 1 0 343.383 2.855 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1sccc1F ZINC001020126165 1314622670 /nfs/dbraw/zinc/62/26/70/1314622670.db2.gz DNXSSYDBYXIQOE-HAQNSBGRSA-N 1 0 349.387 2.846 20 5 EFBDRO CCC[C@@]1(CN[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246454224 1314630748 /nfs/dbraw/zinc/63/07/48/1314630748.db2.gz AZZPWLRQJNLJKM-PXAZEXFGSA-N 1 0 339.411 2.795 20 5 EFBDRO Cc1sc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001213996665 1314633346 /nfs/dbraw/zinc/63/33/46/1314633346.db2.gz KBCIUYOYEGXHFJ-UHFFFAOYSA-N 1 0 343.368 2.722 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CN)c2ccccc2)c([N+](=O)[O-])c1 ZINC001246508179 1314639577 /nfs/dbraw/zinc/63/95/77/1314639577.db2.gz QRDRTLPQNKTQNW-SUMWQHHRSA-N 1 0 329.400 2.824 20 5 EFBDRO NC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001246507261 1314639590 /nfs/dbraw/zinc/63/95/90/1314639590.db2.gz MLZWOWPKYMCSFP-LJQANCHMSA-N 1 0 340.427 2.853 20 5 EFBDRO N[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246572991 1314650283 /nfs/dbraw/zinc/65/02/83/1314650283.db2.gz VNWIKKJXXPAHSA-HIFRSBDPSA-N 1 0 343.349 2.808 20 5 EFBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246572994 1314650667 /nfs/dbraw/zinc/65/06/67/1314650667.db2.gz VNWIKKJXXPAHSA-UKRRQHHQSA-N 1 0 343.349 2.808 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246626720 1314660288 /nfs/dbraw/zinc/66/02/88/1314660288.db2.gz HXZFFLCKYXFVCS-KBXCAEBGSA-N 1 0 333.432 2.610 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1Cc1ccccc1)C2 ZINC001246816093 1314688879 /nfs/dbraw/zinc/68/88/79/1314688879.db2.gz CXIKXKKCFXATDF-VQTJNVASSA-N 1 0 337.423 2.579 20 5 EFBDRO COc1ccc(C[C@H](C)N2CC[NH2+][C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001246827018 1314690550 /nfs/dbraw/zinc/69/05/50/1314690550.db2.gz ZSWGWJCZDACLJI-HOCLYGCPSA-N 1 0 335.448 2.854 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1c1cccs1)C2 ZINC001246885941 1314702938 /nfs/dbraw/zinc/70/29/38/1314702938.db2.gz OPMACSVDQXHTDY-HOTGVXAUSA-N 1 0 329.425 2.770 20 5 EFBDRO CCC[C@@H]1CNCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246911888 1314707481 /nfs/dbraw/zinc/70/74/81/1314707481.db2.gz BVCFZZNBGODAIZ-GOSISDBHSA-N 1 0 332.448 2.638 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246939975 1314711054 /nfs/dbraw/zinc/71/10/54/1314711054.db2.gz WIJGHCHUAFVWNA-BPQIPLTHSA-N 1 0 335.423 2.825 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246939982 1314711448 /nfs/dbraw/zinc/71/14/48/1314711448.db2.gz WIJGHCHUAFVWNA-NXHRZFHOSA-N 1 0 335.423 2.825 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C12CCC(CC1)C2 ZINC001020298844 1314718112 /nfs/dbraw/zinc/71/81/12/1314718112.db2.gz ZILIHCIBNZAZQA-FVYCFJCHSA-N 1 0 343.427 2.912 20 5 EFBDRO [NH3+]C[C@H]1CCC(F)(F)CN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246990671 1314725385 /nfs/dbraw/zinc/72/53/85/1314725385.db2.gz XHKIFKRZEFJENJ-GOEBONIOSA-N 1 0 339.386 2.901 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH2+]C3=CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001246996782 1314727398 /nfs/dbraw/zinc/72/73/98/1314727398.db2.gz PMZVXTVYIDAUCE-DYVFJYSZSA-N 1 0 331.416 2.876 20 5 EFBDRO F[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]C1 ZINC001247804465 1314843430 /nfs/dbraw/zinc/84/34/30/1314843430.db2.gz DHMLKWJWUWALHF-SFHVURJKSA-N 1 0 335.342 2.991 20 5 EFBDRO CCCCC[N@H+](C)CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248945319 1315002726 /nfs/dbraw/zinc/00/27/26/1315002726.db2.gz OGFSFWVBXALVLW-UHFFFAOYSA-N 1 0 337.355 2.843 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001249147124 1315025893 /nfs/dbraw/zinc/02/58/93/1315025893.db2.gz CBWUMFISQLGDEQ-OPRDCNLKSA-N 1 0 335.339 2.800 20 5 EFBDRO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001249304193 1315048748 /nfs/dbraw/zinc/04/87/48/1315048748.db2.gz IEHLBQIQDVENKR-ZFWWWQNUSA-N 1 0 347.378 2.882 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc3c(s2)CC[NH2+]C3)n1 ZINC001217294610 1315056804 /nfs/dbraw/zinc/05/68/04/1315056804.db2.gz IOAMHEQWHSLGMO-UHFFFAOYSA-N 1 0 347.331 2.553 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947422 1315123386 /nfs/dbraw/zinc/12/33/86/1315123386.db2.gz RJFHCUQESZTCQW-GXSJLCMTSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217949362 1315123948 /nfs/dbraw/zinc/12/39/48/1315123948.db2.gz WSZNVZWAUOLETE-ONGXEEELSA-N 1 0 338.257 2.962 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217971494 1315127324 /nfs/dbraw/zinc/12/73/24/1315127324.db2.gz ILWNANZUUBMATO-JQWIXIFHSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1nc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001217974896 1315127835 /nfs/dbraw/zinc/12/78/35/1315127835.db2.gz QKOXREKPJFXLMJ-SECBINFHSA-N 1 0 330.182 2.582 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217976249 1315128051 /nfs/dbraw/zinc/12/80/51/1315128051.db2.gz KVAGVMARZBYUNH-CABZTGNLSA-N 1 0 333.157 2.826 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979317 1315128600 /nfs/dbraw/zinc/12/86/00/1315128600.db2.gz FVYNYXUAYMPLLN-JQWIXIFHSA-N 1 0 346.742 2.504 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218016119 1315134440 /nfs/dbraw/zinc/13/44/40/1315134440.db2.gz CBFRTZNLFOUGKY-NWDGAFQWSA-N 1 0 333.157 2.826 20 5 EFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2COC3(C[NH2+]C3)C2)c1Cl ZINC001218061843 1315140936 /nfs/dbraw/zinc/14/09/36/1315140936.db2.gz YMXFDTIHYSDYGX-MRVPVSSYSA-N 1 0 347.198 2.974 20 5 EFBDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001218065412 1315141922 /nfs/dbraw/zinc/14/19/22/1315141922.db2.gz FNDZZFRYKULDGT-ONGXEEELSA-N 1 0 333.157 2.745 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001218068684 1315142470 /nfs/dbraw/zinc/14/24/70/1315142470.db2.gz FPDBRMQBWWLSHH-MWLCHTKSSA-N 1 0 333.157 2.745 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001218068679 1315142903 /nfs/dbraw/zinc/14/29/03/1315142903.db2.gz FPDBRMQBWWLSHH-GXSJLCMTSA-N 1 0 333.157 2.745 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])c1 ZINC001218071893 1315143123 /nfs/dbraw/zinc/14/31/23/1315143123.db2.gz QLGGANCTQLHORE-ZWNOBZJWSA-N 1 0 341.339 2.879 20 5 EFBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218071891 1315143375 /nfs/dbraw/zinc/14/33/75/1315143375.db2.gz QLGGANCTQLHORE-GXFFZTMASA-N 1 0 341.339 2.879 20 5 EFBDRO C[NH+](C)CCNC(=S)Nc1cccc2nc3ccccc3nc21 ZINC001249840836 1315145174 /nfs/dbraw/zinc/14/51/74/1315145174.db2.gz HZJGQBYHDOENSA-UHFFFAOYSA-N 1 0 325.441 2.631 20 5 EFBDRO O=c1cc(O[C@H]2CCC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218079316 1315145426 /nfs/dbraw/zinc/14/54/26/1315145426.db2.gz DATZXFBWHMMERV-HNNXBMFYSA-N 1 0 329.356 2.760 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218088399 1315146815 /nfs/dbraw/zinc/14/68/15/1315146815.db2.gz DRXOIHYLCOIBJA-RDJZCZTQSA-N 1 0 334.372 2.683 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218098428 1315147712 /nfs/dbraw/zinc/14/77/12/1315147712.db2.gz XXVIAKWXQQEUIC-DOTOQJQBSA-N 1 0 334.372 2.683 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1Br ZINC001218114410 1315150999 /nfs/dbraw/zinc/15/09/99/1315150999.db2.gz IUCNJXBQNJAVLZ-CHWSQXEVSA-N 1 0 327.178 2.878 20 5 EFBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001218145547 1315154917 /nfs/dbraw/zinc/15/49/17/1315154917.db2.gz WZWGEKLYYCPOFB-DIOULYMOSA-N 1 0 334.372 2.538 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218149098 1315155087 /nfs/dbraw/zinc/15/50/87/1315155087.db2.gz IAYMHZHEEBORKY-WOFXILAISA-N 1 0 327.178 2.652 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1 ZINC001218149643 1315155947 /nfs/dbraw/zinc/15/59/47/1315155947.db2.gz RUNFCOSNJWXHED-JYAVWHMHSA-N 1 0 334.372 2.537 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001318385537 1328570884 /nfs/dbraw/zinc/57/08/84/1328570884.db2.gz KGMZRBJOMNBHEP-LSDHHAIUSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001218321445 1315178245 /nfs/dbraw/zinc/17/82/45/1315178245.db2.gz LAYUUNDNYRQWSU-RISCZKNCSA-N 1 0 340.351 2.629 20 5 EFBDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001218319602 1315178292 /nfs/dbraw/zinc/17/82/92/1315178292.db2.gz KHJHGXVXORZIBP-SKDRFNHKSA-N 1 0 333.157 2.745 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001218383431 1315186563 /nfs/dbraw/zinc/18/65/63/1315186563.db2.gz KJLFZQUEKNPULG-HNNXBMFYSA-N 1 0 339.395 2.898 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001218383065 1315186676 /nfs/dbraw/zinc/18/66/76/1315186676.db2.gz FOSUAZBEEPNSEP-ZDUSSCGKSA-N 1 0 343.358 2.995 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001218384370 1315187160 /nfs/dbraw/zinc/18/71/60/1315187160.db2.gz VNPGVQROYPKZQO-KRWDZBQOSA-N 1 0 339.395 2.898 20 5 EFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+][C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218385795 1315187244 /nfs/dbraw/zinc/18/72/44/1315187244.db2.gz LQAGAEHRMUVMGZ-ZBEGNZNMSA-N 1 0 342.351 2.579 20 5 EFBDRO C[C@H]1CC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398709 1315189999 /nfs/dbraw/zinc/18/99/99/1315189999.db2.gz MGQQFUVEOKOSRV-WDEREUQCSA-N 1 0 341.363 2.877 20 5 EFBDRO O=c1ccc2ncc(O[C@H]3C[NH2+]CCC34CC4)c3c4ccccc4n1c32 ZINC001218403255 1315190390 /nfs/dbraw/zinc/19/03/90/1315190390.db2.gz JCSHVDZTLVPQKX-KRWDZBQOSA-N 1 0 345.402 2.960 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)ccc1Br ZINC001218458016 1315199661 /nfs/dbraw/zinc/19/96/61/1315199661.db2.gz BYZZYKHLNPRRKC-DFAYQTQMSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218461534 1315200416 /nfs/dbraw/zinc/20/04/16/1315200416.db2.gz SIFBPLBPSADWHA-OXHMUOHRSA-N 1 0 327.178 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218467659 1315200976 /nfs/dbraw/zinc/20/09/76/1315200976.db2.gz QAXQQJFOOOFALX-UKPHBRMFSA-N 1 0 331.416 2.962 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218480418 1315202992 /nfs/dbraw/zinc/20/29/92/1315202992.db2.gz ANCGYDQXVYMUTB-KRTXAFLBSA-N 1 0 333.157 2.873 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218482991 1315203006 /nfs/dbraw/zinc/20/30/06/1315203006.db2.gz QYQJGJRJFPDROD-HQJQHLMTSA-N 1 0 333.157 2.873 20 5 EFBDRO COC(=O)c1cc(O[C@H]2C[NH2+]Cc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001218491071 1315204622 /nfs/dbraw/zinc/20/46/22/1315204622.db2.gz VBNOUSUORCJUQV-INIZCTEOSA-N 1 0 346.314 2.744 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c1 ZINC001218493916 1315204871 /nfs/dbraw/zinc/20/48/71/1315204871.db2.gz CDSIUFNNVAKCPE-ZKYQVNSYSA-N 1 0 334.372 2.679 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001318391978 1328573351 /nfs/dbraw/zinc/57/33/51/1328573351.db2.gz YZFLTDXTLZTVOZ-JSGCOSHPSA-N 1 0 330.388 2.679 20 5 EFBDRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218859451 1315251670 /nfs/dbraw/zinc/25/16/70/1315251670.db2.gz NRTYVTNOXQWQBT-NSHDSACASA-N 1 0 335.411 2.549 20 5 EFBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858333 1315251872 /nfs/dbraw/zinc/25/18/72/1315251872.db2.gz YUFVMGCGHVZKSC-SFHVURJKSA-N 1 0 337.427 2.938 20 5 EFBDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218858028 1315251946 /nfs/dbraw/zinc/25/19/46/1315251946.db2.gz UKHZMTUPIUCOHM-BBATYDOGSA-N 1 0 335.411 2.692 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001318391976 1328572754 /nfs/dbraw/zinc/57/27/54/1328572754.db2.gz YZFLTDXTLZTVOZ-GXTWGEPZSA-N 1 0 330.388 2.679 20 5 EFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc32)CC1 ZINC001250896682 1315290587 /nfs/dbraw/zinc/29/05/87/1315290587.db2.gz NBKMLYYMKREDPK-UHFFFAOYSA-N 1 0 343.412 2.951 20 5 EFBDRO CCNc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001251762141 1315376536 /nfs/dbraw/zinc/37/65/36/1315376536.db2.gz YCVXUONNVJFTQY-CABCVRRESA-N 1 0 334.420 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C34CCC(O)(CC3)CC4)CC2)cc1 ZINC001254468564 1315706882 /nfs/dbraw/zinc/70/68/82/1315706882.db2.gz NFEAYRSDQJUARW-UHFFFAOYSA-N 1 0 345.443 2.991 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncc(Cl)cn3)CC2)cc1 ZINC001254467062 1315707004 /nfs/dbraw/zinc/70/70/04/1315707004.db2.gz UZVUWSUAIBCIOE-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO CC(C)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465964 1315707018 /nfs/dbraw/zinc/70/70/18/1315707018.db2.gz RPPCKNIRTLUDAJ-INIZCTEOSA-N 1 0 332.448 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(c4cnccn4)CC3)CC2)cc1 ZINC001254470184 1315707095 /nfs/dbraw/zinc/70/70/95/1315707095.db2.gz IFHZKAYNNUGSQK-UHFFFAOYSA-N 1 0 339.399 2.633 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(Cl)nn3)CC2)cc1 ZINC001254467588 1315707105 /nfs/dbraw/zinc/70/71/05/1315707105.db2.gz COTBLDCBHZIBKY-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CCOCC4)CC2)cc1 ZINC001254467621 1315707210 /nfs/dbraw/zinc/70/72/10/1315707210.db2.gz DKHZKBIZZXHMLC-QGZVFWFLSA-N 1 0 331.416 2.722 20 5 EFBDRO CCC(CC)(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC ZINC001254475682 1315707321 /nfs/dbraw/zinc/70/73/21/1315707321.db2.gz GPTKKWYMLCHCJM-UHFFFAOYSA-N 1 0 349.431 2.885 20 5 EFBDRO C[C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1CO ZINC001254474123 1315707353 /nfs/dbraw/zinc/70/73/53/1315707353.db2.gz MMMNOUBXLJCSQX-KBXCAEBGSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001254474076 1315707544 /nfs/dbraw/zinc/70/75/44/1315707544.db2.gz KXNADTCMRXACGP-SFHVURJKSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cncn3CCF)CC2)cc1 ZINC001254472592 1315707597 /nfs/dbraw/zinc/70/75/97/1315707597.db2.gz FOSPYHNSCLPVPB-UHFFFAOYSA-N 1 0 347.394 2.519 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](O)CC3)CC2)cc1 ZINC001254472664 1315707600 /nfs/dbraw/zinc/70/76/00/1315707600.db2.gz ITFQPAIMFVBSST-PPUGGXLSSA-N 1 0 333.432 2.704 20 5 EFBDRO COC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475031 1315707633 /nfs/dbraw/zinc/70/76/33/1315707633.db2.gz YRJGMXYLRSHTRY-KRWDZBQOSA-N 1 0 347.415 2.591 20 5 EFBDRO C[C@@]1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H](O)CC1 ZINC001254472577 1315707694 /nfs/dbraw/zinc/70/76/94/1315707694.db2.gz FFWBSPMNIGXHCE-IYARVYRRSA-N 1 0 333.432 2.847 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)CC2)cc1 ZINC001254479942 1315708215 /nfs/dbraw/zinc/70/82/15/1315708215.db2.gz RFLOJEKOWAIGSH-SEXKYXSUSA-N 1 0 343.427 2.673 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(n3ccc4c3CC[NH2+]C4)CC2)cc1 ZINC001254480275 1315708339 /nfs/dbraw/zinc/70/83/39/1315708339.db2.gz COGFOOKBGCDJHI-UHFFFAOYSA-N 1 0 326.400 2.884 20 5 EFBDRO CN1CCC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254480427 1315708359 /nfs/dbraw/zinc/70/83/59/1315708359.db2.gz GCEQTVANBFFWLM-BEFAXECRSA-N 1 0 344.459 2.590 20 5 EFBDRO CC(C)N1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC001254483019 1315708933 /nfs/dbraw/zinc/70/89/33/1315708933.db2.gz OYKQPJZUYDWBDX-INIZCTEOSA-N 1 0 346.475 2.978 20 5 EFBDRO CCC[N@H+](CC(=O)OCC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481155 1315709043 /nfs/dbraw/zinc/70/90/43/1315709043.db2.gz VFNLBHDAGIMZHH-UHFFFAOYSA-N 1 0 349.431 2.839 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001001111297 1315713817 /nfs/dbraw/zinc/71/38/17/1315713817.db2.gz YYOCAHUEFBRBDB-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001254530992 1315720183 /nfs/dbraw/zinc/72/01/83/1315720183.db2.gz BVAIOAATBMCMMC-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO Cc1cccn2c(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])nnc12 ZINC001254531344 1315720607 /nfs/dbraw/zinc/72/06/07/1315720607.db2.gz DTCJCTMMVUZMQI-CYBMUJFWSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001254540377 1315721038 /nfs/dbraw/zinc/72/10/38/1315721038.db2.gz SPGKAWINBOUPJC-GFCCVEGCSA-N 1 0 325.368 2.559 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCc2ccc(C[NH3+])nc21 ZINC001254538764 1315721226 /nfs/dbraw/zinc/72/12/26/1315721226.db2.gz AQYSOYVIKRWHMX-ZDUSSCGKSA-N 1 0 326.400 2.832 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1 ZINC001254536638 1315721279 /nfs/dbraw/zinc/72/12/79/1315721279.db2.gz RIWPCSOBUWXIKM-ZBFHGGJFSA-N 1 0 330.384 2.555 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001254535816 1315721468 /nfs/dbraw/zinc/72/14/68/1315721468.db2.gz LPNPPPKBDWDDCO-MLGOLLRUSA-N 1 0 325.368 2.679 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCc2ccc(C[NH3+])nc21 ZINC001254538763 1315721506 /nfs/dbraw/zinc/72/15/06/1315721506.db2.gz AQYSOYVIKRWHMX-CYBMUJFWSA-N 1 0 326.400 2.832 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccc(N)cc1 ZINC001254543764 1315721735 /nfs/dbraw/zinc/72/17/35/1315721735.db2.gz GWKFUDAICWEDSE-GUYCJALGSA-N 1 0 329.400 2.821 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1OC ZINC001254544360 1315721782 /nfs/dbraw/zinc/72/17/82/1315721782.db2.gz JEYKVKSGAQETPD-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1cccc(F)c1 ZINC001254544097 1315721791 /nfs/dbraw/zinc/72/17/91/1315721791.db2.gz VADMEUWWMYPTKT-GUYCJALGSA-N 1 0 332.375 2.858 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC001254541767 1315721833 /nfs/dbraw/zinc/72/18/33/1315721833.db2.gz JQPNGRSCZVSRAS-YOEHRIQHSA-N 1 0 333.432 2.762 20 5 EFBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001254542534 1315721941 /nfs/dbraw/zinc/72/19/41/1315721941.db2.gz OUSMKQNKRGRAII-CJNGLKHVSA-N 1 0 343.383 2.815 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548975 1315722150 /nfs/dbraw/zinc/72/21/50/1315722150.db2.gz OQZMMCLVTSUDDG-KDOFPFPSSA-N 1 0 344.411 2.995 20 5 EFBDRO Cc1nnc2ccc(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])cn12 ZINC001254549371 1315722291 /nfs/dbraw/zinc/72/22/91/1315722291.db2.gz SREPQDBIPLODFA-GFCCVEGCSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC001254547048 1315722373 /nfs/dbraw/zinc/72/23/73/1315722373.db2.gz UMDVKUNMDUWSHD-LBPRGKRZSA-N 1 0 331.347 2.893 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001254550352 1315722586 /nfs/dbraw/zinc/72/25/86/1315722586.db2.gz HZPQEWMZDZYXNJ-CZUORRHYSA-N 1 0 329.400 2.673 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001254553477 1315722757 /nfs/dbraw/zinc/72/27/57/1315722757.db2.gz VQPVPQSWRWAHNV-ZDUSSCGKSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001254555905 1315722965 /nfs/dbraw/zinc/72/29/65/1315722965.db2.gz JIPANCRFIVJDOI-TZGCNFNXSA-N 1 0 343.427 2.613 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001254560577 1315723248 /nfs/dbraw/zinc/72/32/48/1315723248.db2.gz VUXLCWOKPVBGTI-HNNXBMFYSA-N 1 0 341.415 2.528 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001254558473 1315723663 /nfs/dbraw/zinc/72/36/63/1315723663.db2.gz AZNJBXXDKJWMNE-RDJZCZTQSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001254561118 1315723896 /nfs/dbraw/zinc/72/38/96/1315723896.db2.gz FICNKBGQHOYSLB-ZDUSSCGKSA-N 1 0 331.416 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566294 1315724565 /nfs/dbraw/zinc/72/45/65/1315724565.db2.gz JEMKZLLUEBKMFJ-LSDHHAIUSA-N 1 0 347.415 2.661 20 5 EFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566860 1315724638 /nfs/dbraw/zinc/72/46/38/1315724638.db2.gz UQEJBZZJNCFYII-VRKREXBASA-N 1 0 332.400 2.799 20 5 EFBDRO Cc1nccnc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568441 1315724681 /nfs/dbraw/zinc/72/46/81/1315724681.db2.gz FZEHAUOHPDYNRX-CJNGLKHVSA-N 1 0 342.399 2.778 20 5 EFBDRO CN(CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254566834 1315724917 /nfs/dbraw/zinc/72/49/17/1315724917.db2.gz KQJRJXWPYNLSEU-HNNXBMFYSA-N 1 0 349.431 2.909 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ccncn1)C1CC[NH2+]CC1 ZINC001254570903 1315725171 /nfs/dbraw/zinc/72/51/71/1315725171.db2.gz QPDCSOIXMQLVLW-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254570686 1315725608 /nfs/dbraw/zinc/72/56/08/1315725608.db2.gz POFKHNFQSOXIPK-DOTOQJQBSA-N 1 0 335.448 2.568 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001254569099 1315725661 /nfs/dbraw/zinc/72/56/61/1315725661.db2.gz HWVIEPTUFJRITK-CQSZACIVSA-N 1 0 331.416 2.613 20 5 EFBDRO Cc1ncn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CSCC[NH3+] ZINC001254573894 1315726165 /nfs/dbraw/zinc/72/61/65/1315726165.db2.gz DJBCJBKUPPAYJN-HNNXBMFYSA-N 1 0 332.429 2.632 20 5 EFBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254573376 1315726217 /nfs/dbraw/zinc/72/62/17/1315726217.db2.gz YKHAIZDFMAZQTM-QGZVFWFLSA-N 1 0 325.368 2.810 20 5 EFBDRO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581655 1315726983 /nfs/dbraw/zinc/72/69/83/1315726983.db2.gz PUOHLZBBVSEAEJ-CABCVRRESA-N 1 0 349.431 2.955 20 5 EFBDRO COc1cccc2c1C[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254582064 1315727096 /nfs/dbraw/zinc/72/70/96/1315727096.db2.gz SESDGZQJUUNUQW-CABCVRRESA-N 1 0 340.379 2.664 20 5 EFBDRO CN(C)[C@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584455 1315727279 /nfs/dbraw/zinc/72/72/79/1315727279.db2.gz SGLBBEQMLNFOOV-IEBWSBKVSA-N 1 0 325.412 2.955 20 5 EFBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584269 1315727557 /nfs/dbraw/zinc/72/75/57/1315727557.db2.gz GZWGYSHIZMVBFQ-GOSISDBHSA-N 1 0 339.395 2.853 20 5 EFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586616 1315727742 /nfs/dbraw/zinc/72/77/42/1315727742.db2.gz QYIMYXSJUHITJK-MSOLQXFVSA-N 1 0 326.396 2.564 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588639 1315727757 /nfs/dbraw/zinc/72/77/57/1315727757.db2.gz GZEIEYUGEKISKN-IEBWSBKVSA-N 1 0 342.395 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001254585848 1315727809 /nfs/dbraw/zinc/72/78/09/1315727809.db2.gz XRKOYFXORRGJBA-FUHWJXTLSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)c1cc(F)cc(F)c1)C2 ZINC001254588512 1315727819 /nfs/dbraw/zinc/72/78/19/1315727819.db2.gz ZXMWPXFSJPAPPH-WBVHZDCISA-N 1 0 334.322 2.663 20 5 EFBDRO CC(F)(F)c1ncncc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587877 1315728077 /nfs/dbraw/zinc/72/80/77/1315728077.db2.gz BWOHMFXHBSTFEN-CYBMUJFWSA-N 1 0 334.326 2.754 20 5 EFBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587907 1315728128 /nfs/dbraw/zinc/72/81/28/1315728128.db2.gz CEORYQAWWZEDFF-CJNGLKHVSA-N 1 0 326.352 2.794 20 5 EFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585343 1315728134 /nfs/dbraw/zinc/72/81/34/1315728134.db2.gz VNZIHPKOGJWSLY-FZMZJTMJSA-N 1 0 335.404 2.565 20 5 EFBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@]1(O)C(F)(F)F ZINC001254593415 1315728246 /nfs/dbraw/zinc/72/82/46/1315728246.db2.gz MHNSYXZRUTZGBO-KMUNFCNLSA-N 1 0 344.333 2.697 20 5 EFBDRO COC(=O)C12CCC([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)(CC1)C2 ZINC001254589041 1315728388 /nfs/dbraw/zinc/72/83/88/1315728388.db2.gz LWWHFRMMGOOFKM-NNGSBXSVSA-N 1 0 330.384 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC001254589455 1315728564 /nfs/dbraw/zinc/72/85/64/1315728564.db2.gz PANVUXNFHVAANQ-RDJZCZTQSA-N 1 0 340.379 2.882 20 5 EFBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@]1(O)C(F)(F)F ZINC001254593417 1315728568 /nfs/dbraw/zinc/72/85/68/1315728568.db2.gz MHNSYXZRUTZGBO-VCTAVGKDSA-N 1 0 344.333 2.697 20 5 EFBDRO COC(=O)CC[N@H+](Cc1ccco1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597240 1315729129 /nfs/dbraw/zinc/72/91/29/1315729129.db2.gz CAXVSURITNUZAS-MRXNPFEDSA-N 1 0 344.367 2.720 20 5 EFBDRO CCc1ncnc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254596869 1315729275 /nfs/dbraw/zinc/72/92/75/1315729275.db2.gz SHXYCXNAIPSENN-INIZCTEOSA-N 1 0 338.411 2.515 20 5 EFBDRO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597351 1315729342 /nfs/dbraw/zinc/72/93/42/1315729342.db2.gz HRTWXSHPGAUTEN-OAHLLOKOSA-N 1 0 335.404 2.519 20 5 EFBDRO COC(=O)CC[N@H+](C1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600030 1315729748 /nfs/dbraw/zinc/72/97/48/1315729748.db2.gz OMNZJUKOJPKZLY-QGZVFWFLSA-N 1 0 332.400 2.870 20 5 EFBDRO COC(=O)CC[N@H+](C1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600024 1315729811 /nfs/dbraw/zinc/72/98/11/1315729811.db2.gz OMNZJUKOJPKZLY-KRWDZBQOSA-N 1 0 332.400 2.870 20 5 EFBDRO O=C([C@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254599957 1315729824 /nfs/dbraw/zinc/72/98/24/1315729824.db2.gz NEXUDBWLVWFHPI-ZWKOTPCHSA-N 1 0 343.427 2.539 20 5 EFBDRO CCOC(=O)C1(C)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602063 1315729985 /nfs/dbraw/zinc/72/99/85/1315729985.db2.gz AEDYJBUEGFIOJK-MRXNPFEDSA-N 1 0 332.400 2.727 20 5 EFBDRO CC(C)CC(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601252 1315729990 /nfs/dbraw/zinc/72/99/90/1315729990.db2.gz WSJYNKMXFPAPSH-GOSISDBHSA-N 1 0 345.443 2.689 20 5 EFBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607222 1315730233 /nfs/dbraw/zinc/73/02/33/1315730233.db2.gz JMLICFRHOHZRKU-FUHWJXTLSA-N 1 0 332.400 2.727 20 5 EFBDRO CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001254605481 1315730561 /nfs/dbraw/zinc/73/05/61/1315730561.db2.gz AIAOUZGIKDJZFL-DOTOQJQBSA-N 1 0 326.400 2.974 20 5 EFBDRO CC(C)CC(=O)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605878 1315730617 /nfs/dbraw/zinc/73/06/17/1315730617.db2.gz BURJLZUZWNFFCR-SFHVURJKSA-N 1 0 345.443 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001254610217 1315731179 /nfs/dbraw/zinc/73/11/79/1315731179.db2.gz JGYVKKKZEOPIIC-OKZBNKHCSA-N 1 0 333.407 2.570 20 5 EFBDRO Cc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612062 1315731659 /nfs/dbraw/zinc/73/16/59/1315731659.db2.gz USWGDGNGRAFCKW-ZWKOTPCHSA-N 1 0 339.395 2.919 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001255734442 1315862665 /nfs/dbraw/zinc/86/26/65/1315862665.db2.gz VZGCVJJWBMJTCC-NEPJUHHUSA-N 1 0 344.314 2.628 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC001256085149 1315903062 /nfs/dbraw/zinc/90/30/62/1315903062.db2.gz KJRDEPBOAIXJAC-INIZCTEOSA-N 1 0 349.431 2.731 20 5 EFBDRO CCCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087197 1315903776 /nfs/dbraw/zinc/90/37/76/1315903776.db2.gz RKKBCRUJUNEVHI-UHFFFAOYSA-N 1 0 337.420 2.588 20 5 EFBDRO COc1cc(N2CCC([NH2+]CC3CC(OC)C3)CC2)ccc1[N+](=O)[O-] ZINC001256094127 1315904402 /nfs/dbraw/zinc/90/44/02/1315904402.db2.gz GVTXMXYJSRCAFK-UHFFFAOYSA-N 1 0 349.431 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H](C)c3ccno3)CC2)ccc1[N+](=O)[O-] ZINC001256095024 1315904512 /nfs/dbraw/zinc/90/45/12/1315904512.db2.gz VKRIAWDNPPQNJJ-LBPRGKRZSA-N 1 0 346.387 2.911 20 5 EFBDRO CCO[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256101388 1315904820 /nfs/dbraw/zinc/90/48/20/1315904820.db2.gz HPJWFQPNXNRGEY-MRXNPFEDSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256101693 1315905121 /nfs/dbraw/zinc/90/51/21/1315905121.db2.gz QWIFBNLRFXWVNI-UONOGXRCSA-N 1 0 349.431 2.681 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC001258020310 1316112721 /nfs/dbraw/zinc/11/27/21/1316112721.db2.gz QSHFJULYCFDGFT-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1 ZINC001258144646 1316124665 /nfs/dbraw/zinc/12/46/65/1316124665.db2.gz DSSAJKZWBWCSKF-STQMWFEESA-N 1 0 346.387 2.605 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001040699295 1316354053 /nfs/dbraw/zinc/35/40/53/1316354053.db2.gz BKQBTHCZGLODNY-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC001261272495 1316400438 /nfs/dbraw/zinc/40/04/38/1316400438.db2.gz JAONSGXAQFBGGD-UHFFFAOYSA-N 1 0 347.459 2.993 20 5 EFBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001262062381 1316446824 /nfs/dbraw/zinc/44/68/24/1316446824.db2.gz XQJKJBBXCAVYLR-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001262082813 1316447400 /nfs/dbraw/zinc/44/74/00/1316447400.db2.gz ONPZAOVVMVPTER-KGLIPLIRSA-N 1 0 336.367 2.872 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC001262563703 1316472291 /nfs/dbraw/zinc/47/22/91/1316472291.db2.gz MFAYERXYZPWEEB-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262652782 1316477501 /nfs/dbraw/zinc/47/75/01/1316477501.db2.gz PUDYGMHSSIPGLC-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001262684814 1316480542 /nfs/dbraw/zinc/48/05/42/1316480542.db2.gz GXBUFMDGXUUYOO-OAHLLOKOSA-N 1 0 341.415 2.530 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCC3CCC3)c2)CC1 ZINC001262812422 1316493296 /nfs/dbraw/zinc/49/32/96/1316493296.db2.gz VAHDBZLGTDJCEV-UHFFFAOYSA-N 1 0 346.431 2.865 20 5 EFBDRO C[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001263197344 1316521342 /nfs/dbraw/zinc/52/13/42/1316521342.db2.gz SUABVKLSGHHHFT-AXHNFQJDSA-N 1 0 339.395 2.831 20 5 EFBDRO Cc1c(C(=O)N2CCCc3cc(CC[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC001263258989 1316524266 /nfs/dbraw/zinc/52/42/66/1316524266.db2.gz JWRFYTFVMRUUHK-UHFFFAOYSA-N 1 0 339.395 2.997 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318773123 1328693853 /nfs/dbraw/zinc/69/38/53/1328693853.db2.gz XSXXWJFTDKGZDG-INIZCTEOSA-N 1 0 346.431 2.885 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1C ZINC001319196303 1328803064 /nfs/dbraw/zinc/80/30/64/1328803064.db2.gz PDXOGYPMIHWNNQ-CYBMUJFWSA-N 1 0 343.431 2.956 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C(C)(C)C)CC1 ZINC001319404774 1328873970 /nfs/dbraw/zinc/87/39/70/1328873970.db2.gz RLNIISXFVHEHBH-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320127925 1329091153 /nfs/dbraw/zinc/09/11/53/1329091153.db2.gz WEJFQGVTHZRXFF-UONOGXRCSA-N 1 0 341.358 2.676 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001320383537 1329120246 /nfs/dbraw/zinc/12/02/46/1329120246.db2.gz YAYJVNGVZHIDNR-IUIKQTSFSA-N 1 0 337.395 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CC2)c(Br)c1 ZINC001320408498 1329126713 /nfs/dbraw/zinc/12/67/13/1329126713.db2.gz KLEUYTOSKICTBC-ZDUSSCGKSA-N 1 0 329.194 2.608 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001320540270 1329156845 /nfs/dbraw/zinc/15/68/45/1329156845.db2.gz HOMCQZPDTIQNQN-GXTWGEPZSA-N 1 0 336.392 2.598 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320561334 1329164845 /nfs/dbraw/zinc/16/48/45/1329164845.db2.gz BZQXZPNVDQYIRS-GFCCVEGCSA-N 1 0 339.823 2.986 20 5 EFBDRO C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001320795913 1329303213 /nfs/dbraw/zinc/30/32/13/1329303213.db2.gz GOQSEZMMPQSRPI-GFCCVEGCSA-N 1 0 337.339 2.667 20 5 EFBDRO COc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001320857459 1329311360 /nfs/dbraw/zinc/31/13/60/1329311360.db2.gz LSVMICIDPZSZHF-QWHCGFSZSA-N 1 0 336.392 2.598 20 5 EFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001320947219 1329323145 /nfs/dbraw/zinc/32/31/45/1329323145.db2.gz TWYZUHZWMWYDJJ-LSDHHAIUSA-N 1 0 336.388 2.813 20 5 EFBDRO CC(C)(C)[NH2+]CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001320958997 1329324990 /nfs/dbraw/zinc/32/49/90/1329324990.db2.gz LSAIMIIOOYGNPY-UHFFFAOYSA-N 1 0 333.310 2.618 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320990670 1329328537 /nfs/dbraw/zinc/32/85/37/1329328537.db2.gz HNTMMPAKBXRYNW-INIZCTEOSA-N 1 0 346.431 2.740 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320990671 1329328544 /nfs/dbraw/zinc/32/85/44/1329328544.db2.gz HNTMMPAKBXRYNW-MRXNPFEDSA-N 1 0 346.431 2.740 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001321282938 1329367861 /nfs/dbraw/zinc/36/78/61/1329367861.db2.gz NQVOYEWAPQJFMW-ZBFHGGJFSA-N 1 0 336.432 2.979 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)cc1[N+](=O)[O-] ZINC001321282937 1329367740 /nfs/dbraw/zinc/36/77/40/1329367740.db2.gz NQVOYEWAPQJFMW-HOCLYGCPSA-N 1 0 336.432 2.979 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321705391 1329404133 /nfs/dbraw/zinc/40/41/33/1329404133.db2.gz ZCMMTPNMFJUVGS-STQMWFEESA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001321793667 1329409217 /nfs/dbraw/zinc/40/92/17/1329409217.db2.gz LDOAIVKNRAKCPT-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO CCOc1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001317927556 1328444518 /nfs/dbraw/zinc/44/45/18/1328444518.db2.gz RVNFYHYVCUILBR-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001322130561 1329431330 /nfs/dbraw/zinc/43/13/30/1329431330.db2.gz VGAMLDFRGYTANH-ZDUSSCGKSA-N 1 0 342.823 2.763 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cc([N+](=O)[O-])cn2C)o1 ZINC001322362638 1329452341 /nfs/dbraw/zinc/45/23/41/1329452341.db2.gz HAJDQYPGQRCVMD-GFCCVEGCSA-N 1 0 333.392 2.819 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001322680326 1329478747 /nfs/dbraw/zinc/47/87/47/1329478747.db2.gz HQDOMILUGVDADL-GDBMZVCRSA-N 1 0 346.431 2.772 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001323716245 1329564295 /nfs/dbraw/zinc/56/42/95/1329564295.db2.gz WRARALAROBGJNY-MGPQQGTHSA-N 1 0 340.445 2.550 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001323990677 1329589680 /nfs/dbraw/zinc/58/96/80/1329589680.db2.gz LRLNSHKXHUQVBL-KBRIMQKVSA-N 1 0 348.447 2.774 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001324011740 1329590950 /nfs/dbraw/zinc/59/09/50/1329590950.db2.gz WOVUGEBRXQOIPK-SFHVURJKSA-N 1 0 340.379 2.881 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001324360171 1329619555 /nfs/dbraw/zinc/61/95/55/1329619555.db2.gz TVALTZROSUVJIL-ZDUSSCGKSA-N 1 0 346.431 2.583 20 5 EFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325285911 1329678274 /nfs/dbraw/zinc/67/82/74/1329678274.db2.gz DGAQGBPPQQSRAY-UHFFFAOYSA-N 1 0 338.367 2.788 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001325424331 1329687134 /nfs/dbraw/zinc/68/71/34/1329687134.db2.gz VQPIWZKJVJRCJO-GOEBONIOSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001325840166 1329715734 /nfs/dbraw/zinc/71/57/34/1329715734.db2.gz JQZFTVVACNXFTI-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001325844612 1329715983 /nfs/dbraw/zinc/71/59/83/1329715983.db2.gz ZDQBNYIUELSDCG-DLBZAZTESA-N 1 0 334.347 2.745 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001326023845 1329730497 /nfs/dbraw/zinc/73/04/97/1329730497.db2.gz BMTHNFJFTRSLTR-CABCVRRESA-N 1 0 349.431 2.985 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC001326253985 1329741858 /nfs/dbraw/zinc/74/18/58/1329741858.db2.gz BTMDASNRFJRLRA-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO CCOC(=O)Cc1ccc(N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001326271448 1329743140 /nfs/dbraw/zinc/74/31/40/1329743140.db2.gz XKPPNEKAMAVIPO-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC001326806578 1330366903 /nfs/dbraw/zinc/36/69/03/1330366903.db2.gz WCJLXGCUJAHNLG-SJKOYZFVSA-N 1 0 325.368 2.773 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001326961388 1330390995 /nfs/dbraw/zinc/39/09/95/1330390995.db2.gz YPOVOMONXKADDU-MRXNPFEDSA-N 1 0 326.400 2.797 20 5 EFBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001327132062 1330425389 /nfs/dbraw/zinc/42/53/89/1330425389.db2.gz ZLOGCSMGLFECIU-KRWDZBQOSA-N 1 0 333.432 2.860 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001327149945 1330431230 /nfs/dbraw/zinc/43/12/30/1330431230.db2.gz HSZKXRALBQDYRS-KBXCAEBGSA-N 1 0 342.399 2.917 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327675036 1330507192 /nfs/dbraw/zinc/50/71/92/1330507192.db2.gz RAPWOAHBMJLWJL-RNCFNFMXSA-N 1 0 335.795 2.720 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327974093 1330536351 /nfs/dbraw/zinc/53/63/51/1330536351.db2.gz OSEOVIGVVLONGC-OAHLLOKOSA-N 1 0 346.431 2.535 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)C1 ZINC001328026034 1330543447 /nfs/dbraw/zinc/54/34/47/1330543447.db2.gz HWUMAARARVSWPU-MRXNPFEDSA-N 1 0 347.806 2.723 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328042164 1330545265 /nfs/dbraw/zinc/54/52/65/1330545265.db2.gz TZUBZWMEOLULKV-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328724305 1330621962 /nfs/dbraw/zinc/62/19/62/1330621962.db2.gz HSRJZOFKGRKNRK-UHFFFAOYSA-N 1 0 346.431 2.932 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC001328882625 1330643058 /nfs/dbraw/zinc/64/30/58/1330643058.db2.gz AYAFGSYUPKUNJN-RBUKOAKNSA-N 1 0 342.395 2.612 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001329982595 1330758100 /nfs/dbraw/zinc/75/81/00/1330758100.db2.gz BFOYORHJBBBFIA-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001331460519 1330839678 /nfs/dbraw/zinc/83/96/78/1330839678.db2.gz NBTRKGRDEYTOFY-UHFFFAOYSA-N 1 0 336.367 2.731 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001331909561 1330889284 /nfs/dbraw/zinc/88/92/84/1330889284.db2.gz HBSVWQPZCYYDIF-RYUDHWBXSA-N 1 0 343.786 2.990 20 5 EFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC001332095482 1330918762 /nfs/dbraw/zinc/91/87/62/1330918762.db2.gz MPEQDYXNXYLDRI-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001332224480 1330944464 /nfs/dbraw/zinc/94/44/64/1330944464.db2.gz CNQRTHHGJAOAOL-AWEZNQCLSA-N 1 0 346.431 2.598 20 5 EFBDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001332747129 1331015684 /nfs/dbraw/zinc/01/56/84/1331015684.db2.gz XMPGQRUCKAUVAI-SJORKVTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@H]1CO ZINC001332968007 1331056088 /nfs/dbraw/zinc/05/60/88/1331056088.db2.gz LQQDOSKPNPRPQG-NOZJJQNGSA-N 1 0 329.194 2.560 20 5 EFBDRO COC(=O)c1cncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001333178744 1331088324 /nfs/dbraw/zinc/08/83/24/1331088324.db2.gz PPMPECYOJGOQFK-GFCCVEGCSA-N 1 0 329.356 2.936 20 5 EFBDRO COC(=O)c1cncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001333178750 1331088513 /nfs/dbraw/zinc/08/85/13/1331088513.db2.gz PPMPECYOJGOQFK-LBPRGKRZSA-N 1 0 329.356 2.936 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501706 1331155217 /nfs/dbraw/zinc/15/52/17/1331155217.db2.gz DNQWRBZSRZPITB-FZMZJTMJSA-N 1 0 336.367 2.824 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)c2)cc1 ZINC001333605294 1331179844 /nfs/dbraw/zinc/17/98/44/1331179844.db2.gz KXRKYROSPXDTQZ-YJBOKZPZSA-N 1 0 342.399 2.917 20 5 EFBDRO COc1c(O)ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001333671107 1331191023 /nfs/dbraw/zinc/19/10/23/1331191023.db2.gz OLLIKWJHZYCIKF-CYBMUJFWSA-N 1 0 337.420 2.519 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1O ZINC001334810032 1331309922 /nfs/dbraw/zinc/30/99/22/1331309922.db2.gz XOSABPABRZCFMS-RNCFNFMXSA-N 1 0 329.194 2.560 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001335446198 1331348691 /nfs/dbraw/zinc/34/86/91/1331348691.db2.gz YKLQVUBPTCVNBU-YJBOKZPZSA-N 1 0 333.432 2.625 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC001335501250 1331361436 /nfs/dbraw/zinc/36/14/36/1331361436.db2.gz OZULEMPPWZDBCE-UHFFFAOYSA-N 1 0 347.806 2.797 20 5 EFBDRO C[NH+](C)CC1(O)CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001335856904 1331410691 /nfs/dbraw/zinc/41/06/91/1331410691.db2.gz NFEKYHLDAWMMSA-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336462057 1331475927 /nfs/dbraw/zinc/47/59/27/1331475927.db2.gz OZYYRRXSYIQFGW-JKSUJKDBSA-N 1 0 346.431 2.772 20 5 EFBDRO Nc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001336609067 1331486682 /nfs/dbraw/zinc/48/66/82/1331486682.db2.gz OZPWVGATZNDGNH-CQSZACIVSA-N 1 0 327.388 2.506 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2sc(C)nc2C)c1[N+](=O)[O-] ZINC001336716159 1331495355 /nfs/dbraw/zinc/49/53/55/1331495355.db2.gz DKRCDHLKYRQHFE-UHFFFAOYSA-N 1 0 337.401 2.715 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336746812 1331499209 /nfs/dbraw/zinc/49/92/09/1331499209.db2.gz NCAOEMFBXLNRRQ-HNNXBMFYSA-N 1 0 346.431 2.727 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC001336762514 1331500567 /nfs/dbraw/zinc/50/05/67/1331500567.db2.gz FVYLPQDOOHZJEP-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]2CCC[NH2+][C@H]21 ZINC001337008461 1331526369 /nfs/dbraw/zinc/52/63/69/1331526369.db2.gz WSHHUUJHTFXFOU-BFHYXJOUSA-N 1 0 337.807 2.755 20 5 EFBDRO COc1cc(N2CCC([NH2+]C3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC001337540135 1331583100 /nfs/dbraw/zinc/58/31/00/1331583100.db2.gz CHQWTIXZCAEENY-UHFFFAOYSA-N 1 0 349.431 2.649 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC001338076936 1331647376 /nfs/dbraw/zinc/64/73/76/1331647376.db2.gz UUQSDKQKLMRDAK-ZDUSSCGKSA-N 1 0 348.428 3.000 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439423 1331867891 /nfs/dbraw/zinc/86/78/91/1331867891.db2.gz TXGIBLKULCFRRJ-HUUCEWRRSA-N 1 0 345.355 2.681 20 5 EFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC001340181736 1332149853 /nfs/dbraw/zinc/14/98/53/1332149853.db2.gz IXKUFCILVJGSIB-LBPRGKRZSA-N 1 0 339.823 2.829 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001341456241 1332260850 /nfs/dbraw/zinc/26/08/50/1332260850.db2.gz IIMGCTPKQWTFTL-NVXWUHKLSA-N 1 0 325.368 2.566 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001341785707 1332284161 /nfs/dbraw/zinc/28/41/61/1332284161.db2.gz CYJGNTHJJVAQBR-CGTJXYLNSA-N 1 0 343.427 2.546 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)nc1 ZINC001342118220 1332306692 /nfs/dbraw/zinc/30/66/92/1332306692.db2.gz IQDQNRLYBMKBPM-CQSZACIVSA-N 1 0 348.353 2.997 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342239978 1332322297 /nfs/dbraw/zinc/32/22/97/1332322297.db2.gz WEYCERNZSSGHQX-SFHVURJKSA-N 1 0 346.431 2.532 20 5 EFBDRO Cc1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001342242871 1332323131 /nfs/dbraw/zinc/32/31/31/1332323131.db2.gz CBDNLAMJHLRBIN-GOSISDBHSA-N 1 0 325.368 2.773 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC12CCC2)c1ccccc1[N+](=O)[O-] ZINC001342943894 1332337091 /nfs/dbraw/zinc/33/70/91/1332337091.db2.gz NBSQIIHQJZWGCU-HIFRSBDPSA-N 1 0 331.416 2.594 20 5 EFBDRO COc1ccc(NC(=O)N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001344513169 1332460756 /nfs/dbraw/zinc/46/07/56/1332460756.db2.gz ZOBLPNBUWOYSNX-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC001346110398 1332600056 /nfs/dbraw/zinc/60/00/56/1332600056.db2.gz QGJYCNKSYLKSQD-OAHLLOKOSA-N 1 0 341.367 2.606 20 5 EFBDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC001346122630 1332601776 /nfs/dbraw/zinc/60/17/76/1332601776.db2.gz KXAPULDCMDJGMS-QFBILLFUSA-N 1 0 342.395 2.920 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCc2ncsc2C1)Nc1ccccc1[N+](=O)[O-] ZINC001346352120 1332628300 /nfs/dbraw/zinc/62/83/00/1332628300.db2.gz BRMRSEIPFBITRP-NSHDSACASA-N 1 0 346.412 2.527 20 5 EFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001346702030 1332675239 /nfs/dbraw/zinc/67/52/39/1332675239.db2.gz UJRYUXDBSBQRAU-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO CN(c1ncnc2c(Cl)cc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](C)C1 ZINC001347056420 1332714656 /nfs/dbraw/zinc/71/46/56/1332714656.db2.gz LGDCKPMBSJDGFX-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO Cc1cccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001347279127 1332730651 /nfs/dbraw/zinc/73/06/51/1332730651.db2.gz PYCFBICSUZKQEB-INIZCTEOSA-N 1 0 343.358 2.829 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001347770782 1332772659 /nfs/dbraw/zinc/77/26/59/1332772659.db2.gz CXGORODBZHHOJM-CYBMUJFWSA-N 1 0 348.403 2.696 20 5 EFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001349913014 1333012178 /nfs/dbraw/zinc/01/21/78/1333012178.db2.gz PDWOQLWTAZGFTP-AWEZNQCLSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001350123620 1333037460 /nfs/dbraw/zinc/03/74/60/1333037460.db2.gz BUXAJXJWBRDWDW-CYBMUJFWSA-N 1 0 336.367 2.826 20 5 EFBDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001350329506 1333065259 /nfs/dbraw/zinc/06/52/59/1333065259.db2.gz IKTJYCBYWGNGNG-KRWDZBQOSA-N 1 0 341.367 2.886 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC001350440972 1333083087 /nfs/dbraw/zinc/08/30/87/1333083087.db2.gz OEINWPWZOILNHZ-AWEZNQCLSA-N 1 0 348.447 2.877 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC001351303920 1333209008 /nfs/dbraw/zinc/20/90/08/1333209008.db2.gz RMGZPWVRTURYOS-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1ccc(NCCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001351808687 1333289741 /nfs/dbraw/zinc/28/97/41/1333289741.db2.gz CYIYFKGWAZDFQZ-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO CC(C)OC(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847073911 1333311036 /nfs/dbraw/zinc/31/10/36/1333311036.db2.gz IEPRDXPAWQEWMO-CVEARBPZSA-N 1 0 338.404 2.584 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000847376978 1333623062 /nfs/dbraw/zinc/62/30/62/1333623062.db2.gz AUCXPPZNZGQNRO-JQFCIGGWSA-N 1 0 346.431 2.972 20 5 EFBDRO O=C(CC1CCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002504206 1334304801 /nfs/dbraw/zinc/30/48/01/1334304801.db2.gz KCYBOWNMQNKBHU-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001354510576 1334341345 /nfs/dbraw/zinc/34/13/45/1334341345.db2.gz AETAILUCRLJNHG-LBPRGKRZSA-N 1 0 341.367 2.696 20 5 EFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001354781264 1334510680 /nfs/dbraw/zinc/51/06/80/1334510680.db2.gz JUOZSFNYUGHEAH-OCCSQVGLSA-N 1 0 337.445 2.676 20 5 EFBDRO C[NH2+]CCOc1cccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001354831427 1334545676 /nfs/dbraw/zinc/54/56/76/1334545676.db2.gz ZIOFKLNTUJVKLI-CYBMUJFWSA-N 1 0 343.383 2.684 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848397176 1334706959 /nfs/dbraw/zinc/70/69/59/1334706959.db2.gz VKZHUHSRMHXGGC-CJNGLKHVSA-N 1 0 337.807 2.596 20 5 EFBDRO Cn1c2ccccc2c(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1=O ZINC001355225400 1334721394 /nfs/dbraw/zinc/72/13/94/1334721394.db2.gz FCLJLQMCJKGHOA-UHFFFAOYSA-N 1 0 344.415 2.591 20 5 EFBDRO CC(C)[N@@H+]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848477628 1334736666 /nfs/dbraw/zinc/73/66/66/1334736666.db2.gz ZAWFHWIRSSXMCV-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480130 1334737331 /nfs/dbraw/zinc/73/73/31/1334737331.db2.gz GNXKCBLIWXGUSN-MRXNPFEDSA-N 1 0 343.431 2.832 20 5 EFBDRO C[N@H+](CC1CCOCC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483581 1334740698 /nfs/dbraw/zinc/74/06/98/1334740698.db2.gz KPPVESKPDUMRCM-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000848524277 1334772854 /nfs/dbraw/zinc/77/28/54/1334772854.db2.gz RMYCMBCSIFSVKL-SUMWQHHRSA-N 1 0 346.358 2.751 20 5 EFBDRO COc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848527778 1334776237 /nfs/dbraw/zinc/77/62/37/1334776237.db2.gz FBNQTDKEXYUFAS-AEFFLSMTSA-N 1 0 328.368 2.914 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000848537107 1334782407 /nfs/dbraw/zinc/78/24/07/1334782407.db2.gz ZRRCGRRGTDPNMP-LJHODMEESA-N 1 0 342.395 2.656 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000848550109 1334789638 /nfs/dbraw/zinc/78/96/38/1334789638.db2.gz CMECUEAMYDMTGQ-HDMKZQKVSA-N 1 0 326.352 2.666 20 5 EFBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848573593 1334802885 /nfs/dbraw/zinc/80/28/85/1334802885.db2.gz WEBWZVUAGVAQBV-GFCCVEGCSA-N 1 0 343.383 2.743 20 5 EFBDRO Cc1cc(Cc2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623632 1334816316 /nfs/dbraw/zinc/81/63/16/1334816316.db2.gz KRCXZCSPCSEQSC-DYVFJYSZSA-N 1 0 328.372 2.734 20 5 EFBDRO COc1ccc(CNC(=[NH2+])NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000849065531 1335067043 /nfs/dbraw/zinc/06/70/43/1335067043.db2.gz MSFGAPFRYOUNLC-UHFFFAOYSA-N 1 0 328.372 2.726 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001357291337 1335297094 /nfs/dbraw/zinc/29/70/94/1335297094.db2.gz KRUSNTLQRUKEGT-HIFRSBDPSA-N 1 0 334.420 2.748 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001357321711 1335300322 /nfs/dbraw/zinc/30/03/22/1335300322.db2.gz IEQKUKUOOOKGPB-UKRRQHHQSA-N 1 0 331.416 2.860 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001357321703 1335300426 /nfs/dbraw/zinc/30/04/26/1335300426.db2.gz IEQKUKUOOOKGPB-DZGCQCFKSA-N 1 0 331.416 2.860 20 5 EFBDRO C[NH2+][C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC001358170684 1335364446 /nfs/dbraw/zinc/36/44/46/1335364446.db2.gz PXQPYOCONPTBLT-OAHLLOKOSA-N 1 0 345.374 2.603 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC2(CCC2)C1 ZINC001020487618 713068313 /nfs/dbraw/zinc/06/83/13/713068313.db2.gz IIVBXAROZWPJDB-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC2(CCC2)C1 ZINC001020487734 713068610 /nfs/dbraw/zinc/06/86/10/713068610.db2.gz NGACGJXMUFUMHE-WKILWMFISA-N 1 0 343.427 2.912 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001020544494 713127632 /nfs/dbraw/zinc/12/76/32/713127632.db2.gz SCHCVGMREXNRTG-JOCQHMNTSA-N 1 0 335.429 2.749 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)[nH]1 ZINC001020640836 713311671 /nfs/dbraw/zinc/31/16/71/713311671.db2.gz JIOJVTIXCHRQKA-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001020902545 713434558 /nfs/dbraw/zinc/43/45/58/713434558.db2.gz BZRKORUYZLUKCU-WKILWMFISA-N 1 0 343.427 2.768 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001020971883 713462030 /nfs/dbraw/zinc/46/20/30/713462030.db2.gz HNKCRFVLENCJPL-QAQDUYKDSA-N 1 0 339.395 2.954 20 5 EFBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261720252 714243489 /nfs/dbraw/zinc/24/34/89/714243489.db2.gz KRXQNRTWTGWGJT-CYBMUJFWSA-N 1 0 342.399 2.545 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234267914 714436809 /nfs/dbraw/zinc/43/68/09/714436809.db2.gz KVDXOASXEBEYBR-LBPRGKRZSA-N 1 0 342.237 2.883 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021788068 714477310 /nfs/dbraw/zinc/47/73/10/714477310.db2.gz QTQMZJYMLBSDRI-IYBDPMFKSA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC001021811866 714506241 /nfs/dbraw/zinc/50/62/41/714506241.db2.gz GPVQXMMCLVSWLC-TXEJJXNPSA-N 1 0 337.426 2.768 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933165312 714519984 /nfs/dbraw/zinc/51/99/84/714519984.db2.gz KSTUBSFNTXJDEK-ZIAGYGMSSA-N 1 0 336.388 2.637 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c(C)o1 ZINC001021824634 714537098 /nfs/dbraw/zinc/53/70/98/714537098.db2.gz NXHQWYHZLMNHAU-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC001021825155 714539447 /nfs/dbraw/zinc/53/94/47/714539447.db2.gz XPZLTCBGLCFFSS-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CN(CC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000234296403 714572930 /nfs/dbraw/zinc/57/29/30/714572930.db2.gz MVFBMDPGAWZYDP-UHFFFAOYSA-N 1 0 342.237 2.885 20 5 EFBDRO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000892499959 717987949 /nfs/dbraw/zinc/98/79/49/717987949.db2.gz BMPACGGJGAPXCV-INIZCTEOSA-N 1 0 341.839 2.695 20 5 EFBDRO CC1(C)CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001022037838 714682555 /nfs/dbraw/zinc/68/25/55/714682555.db2.gz APOHJWSRWUXCQQ-GASCZTMLSA-N 1 0 331.416 2.768 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022039676 714683805 /nfs/dbraw/zinc/68/38/05/714683805.db2.gz GRGINLKQTOJPGX-TXEJJXNPSA-N 1 0 348.428 2.597 20 5 EFBDRO COc1cccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)c1 ZINC000891513242 714793067 /nfs/dbraw/zinc/79/30/67/714793067.db2.gz FWSICLTZEAGEHC-HNNXBMFYSA-N 1 0 345.403 2.586 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000891647340 714896396 /nfs/dbraw/zinc/89/63/96/714896396.db2.gz NUKVKHQAJYEPEF-HRCADAONSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000891647343 714896559 /nfs/dbraw/zinc/89/65/59/714896559.db2.gz NUKVKHQAJYEPEF-JYJNAYRXSA-N 1 0 332.404 2.582 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022298790 714985135 /nfs/dbraw/zinc/98/51/35/714985135.db2.gz PFFVASCBCHJDGL-CALCHBBNSA-N 1 0 339.395 2.574 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022298728 714985184 /nfs/dbraw/zinc/98/51/84/714985184.db2.gz OCYOMIQEIOOVHU-GASCZTMLSA-N 1 0 345.424 2.636 20 5 EFBDRO COC(=O)C[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000934033642 715181882 /nfs/dbraw/zinc/18/18/82/715181882.db2.gz NIVPWNRUVGJFPH-AWEZNQCLSA-N 1 0 342.367 2.810 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001022572425 715221502 /nfs/dbraw/zinc/22/15/02/715221502.db2.gz AVMVEDHMEPVPTO-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(O)c(F)c3)C2)nc1 ZINC000892078626 715244046 /nfs/dbraw/zinc/24/40/46/715244046.db2.gz PAFWCIPLHMUJSM-GFCCVEGCSA-N 1 0 332.335 2.521 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000892137375 715270722 /nfs/dbraw/zinc/27/07/22/715270722.db2.gz XCILPMKLFDBGPW-UHFFFAOYSA-N 1 0 335.433 2.714 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1occc1Cl ZINC001022660458 715279085 /nfs/dbraw/zinc/27/90/85/715279085.db2.gz UVZUAXAKFJVZCY-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000893454367 715569076 /nfs/dbraw/zinc/56/90/76/715569076.db2.gz UIIPTFGWWIAGSG-TZMCWYRMSA-N 1 0 334.420 2.605 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000893455162 715576155 /nfs/dbraw/zinc/57/61/55/715576155.db2.gz ZCZSUMAXBPGSTL-KBPBESRZSA-N 1 0 334.420 2.748 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000072782171 715889972 /nfs/dbraw/zinc/88/99/72/715889972.db2.gz QYKVRSQTKZJFKG-KUCQQTCKSA-N 1 0 331.416 2.989 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000892320460 715937204 /nfs/dbraw/zinc/93/72/04/715937204.db2.gz XFADBJRQGMUMRW-UHFFFAOYSA-N 1 0 333.417 2.621 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000909598713 724437118 /nfs/dbraw/zinc/43/71/18/724437118.db2.gz DFJILINNVJYGPM-KRWDZBQOSA-N 1 0 343.383 2.637 20 5 EFBDRO COc1c(O)ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000893520556 716488972 /nfs/dbraw/zinc/48/89/72/716488972.db2.gz JHXGSDCTSDYMHG-CQSZACIVSA-N 1 0 336.388 2.558 20 5 EFBDRO COc1c(O)ccc(CNCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000892414666 717178992 /nfs/dbraw/zinc/17/89/92/717178992.db2.gz ZEQLQQNAIVNMQK-UHFFFAOYSA-N 1 0 337.420 2.663 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072871454 717280537 /nfs/dbraw/zinc/28/05/37/717280537.db2.gz GNDLKCPVWVQDPM-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000925247310 724487809 /nfs/dbraw/zinc/48/78/09/724487809.db2.gz RDAFXJUICQKPAL-CZUORRHYSA-N 1 0 334.420 2.782 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000892521820 718204592 /nfs/dbraw/zinc/20/45/92/718204592.db2.gz GUXSGRXYZOLXLY-CQSZACIVSA-N 1 0 336.775 2.778 20 5 EFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000892545771 718262990 /nfs/dbraw/zinc/26/29/90/718262990.db2.gz RWWLGPZNTASGDK-AWEZNQCLSA-N 1 0 332.791 2.994 20 5 EFBDRO COC(=O)N1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000178170715 718274318 /nfs/dbraw/zinc/27/43/18/718274318.db2.gz NDSTZIFCKVOLGZ-UHFFFAOYSA-N 1 0 347.396 2.864 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892558670 718282410 /nfs/dbraw/zinc/28/24/10/718282410.db2.gz ARXBXSNLXQINQH-ZDUSSCGKSA-N 1 0 344.415 2.733 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892576886 718301499 /nfs/dbraw/zinc/30/14/99/718301499.db2.gz KTARPVWWXRBNHV-CHWSQXEVSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892580054 718305622 /nfs/dbraw/zinc/30/56/22/718305622.db2.gz ZIKHFFUZSKONAC-WFASDCNBSA-N 1 0 338.404 2.994 20 5 EFBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH2+]CC1 ZINC000892644574 718368425 /nfs/dbraw/zinc/36/84/25/718368425.db2.gz VAUCRSQXHLSANN-CYBMUJFWSA-N 1 0 346.431 2.657 20 5 EFBDRO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C2CC2)CC1 ZINC000892645655 718369256 /nfs/dbraw/zinc/36/92/56/718369256.db2.gz QVQNZFDRVAVEAB-UHFFFAOYSA-N 1 0 340.383 2.956 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](OC)c2ccccc2)c1[N+](=O)[O-] ZINC000892658115 718385789 /nfs/dbraw/zinc/38/57/89/718385789.db2.gz HVDYFRVKHQDCLN-HNNXBMFYSA-N 1 0 332.356 2.786 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)COc2ccccc2)c([N+](=O)[O-])cc1O ZINC000892697046 718768555 /nfs/dbraw/zinc/76/85/55/718768555.db2.gz QXSIGBKDUMWOBO-LBPRGKRZSA-N 1 0 332.356 2.866 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000892703642 718840150 /nfs/dbraw/zinc/84/01/50/718840150.db2.gz MDRLBVBYILKQJL-OAHLLOKOSA-N 1 0 342.399 2.709 20 5 EFBDRO CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981585007 718849336 /nfs/dbraw/zinc/84/93/36/718849336.db2.gz KARFTOPWFSOETQ-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000893642223 719009294 /nfs/dbraw/zinc/00/92/94/719009294.db2.gz MTQDJCDCOMQEGX-IAGOWNOFSA-N 1 0 336.388 2.604 20 5 EFBDRO COc1c(O)ccc(CNC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000892738758 719097335 /nfs/dbraw/zinc/09/73/35/719097335.db2.gz DHKDAQLGEPCEHA-CYBMUJFWSA-N 1 0 337.420 2.519 20 5 EFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C(F)F)CC1 ZINC001029924215 724567181 /nfs/dbraw/zinc/56/71/81/724567181.db2.gz IVJKCEFBTVZPPO-UHFFFAOYSA-N 1 0 341.358 2.530 20 5 EFBDRO CCOC(=O)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000892938133 719293157 /nfs/dbraw/zinc/29/31/57/719293157.db2.gz YFMXHVDAWCROBF-UHFFFAOYSA-N 1 0 335.385 2.560 20 5 EFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCC2 ZINC000892958525 719345977 /nfs/dbraw/zinc/34/59/77/719345977.db2.gz BRHZLEZICDBCHH-KGLIPLIRSA-N 1 0 336.388 2.746 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000892983329 719391933 /nfs/dbraw/zinc/39/19/33/719391933.db2.gz JRFDQCHKXNFTCI-ZDUSSCGKSA-N 1 0 334.376 2.671 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001971 719429247 /nfs/dbraw/zinc/42/92/47/719429247.db2.gz RCDITIHPVCCVSS-STQMWFEESA-N 1 0 346.836 2.694 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C2CC2)CC1 ZINC001020268805 719476727 /nfs/dbraw/zinc/47/67/27/719476727.db2.gz ODDKHYVZZXJJRI-SHTZXODSSA-N 1 0 329.400 2.522 20 5 EFBDRO COc1cc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000893026463 719487400 /nfs/dbraw/zinc/48/74/00/719487400.db2.gz NKKAEAKJENUNAG-HIFRSBDPSA-N 1 0 349.431 2.938 20 5 EFBDRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CCCC1 ZINC001025931056 719548073 /nfs/dbraw/zinc/54/80/73/719548073.db2.gz WENVYGDGKVSSDH-FVQHAEBGSA-N 1 0 343.427 2.722 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025961632 719580716 /nfs/dbraw/zinc/58/07/16/719580716.db2.gz ZMVCADRFJNQTEH-FVQHAEBGSA-N 1 0 343.427 2.577 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001025961522 719580751 /nfs/dbraw/zinc/58/07/51/719580751.db2.gz KKLRDWMNOZFXCB-QLPKVWCKSA-N 1 0 343.427 2.577 20 5 EFBDRO C[C@]12CN(C(=O)C3CC3)C[C@@]1(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000982183918 719647185 /nfs/dbraw/zinc/64/71/85/719647185.db2.gz STIXVSXWOLVZIH-KDURUIRLSA-N 1 0 343.427 2.675 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000122788334 719791139 /nfs/dbraw/zinc/79/11/39/719791139.db2.gz LXFRWPRMNYXXCF-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO CC(C)C(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029937019 724621561 /nfs/dbraw/zinc/62/15/61/724621561.db2.gz CZSQUYWTTZMIDH-UHFFFAOYSA-N 1 0 333.432 2.921 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000909626479 724640382 /nfs/dbraw/zinc/64/03/82/724640382.db2.gz PSJDIMBKKJIUNI-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000893198399 720027548 /nfs/dbraw/zinc/02/75/48/720027548.db2.gz HDBZAGXOHSDPJQ-LBPRGKRZSA-N 1 0 348.428 2.943 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893876731 720137620 /nfs/dbraw/zinc/13/76/20/720137620.db2.gz QWCAXHMWGKLUIS-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000894053825 720252812 /nfs/dbraw/zinc/25/28/12/720252812.db2.gz OZMSSTZUFXTCOX-UHFFFAOYSA-N 1 0 329.404 2.795 20 5 EFBDRO C[C@H]1Cc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2O1 ZINC000894078700 720271476 /nfs/dbraw/zinc/27/14/76/720271476.db2.gz LFJIVTDKKAPOKY-ZDUSSCGKSA-N 1 0 342.399 2.952 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927694627 720719186 /nfs/dbraw/zinc/71/91/86/720719186.db2.gz DBHHPYODNKMXQF-UHFFFAOYSA-N 1 0 328.372 2.603 20 5 EFBDRO COCC1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]CC1 ZINC000261719827 720813550 /nfs/dbraw/zinc/81/35/50/720813550.db2.gz QMNRUAYNFLDFKT-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EFBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261720256 720813909 /nfs/dbraw/zinc/81/39/09/720813909.db2.gz KRXQNRTWTGWGJT-ZDUSSCGKSA-N 1 0 342.399 2.545 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+]1CCC(C)CC1 ZINC000067272267 721138308 /nfs/dbraw/zinc/13/83/08/721138308.db2.gz XOCAMWMNUVQWCL-AWEZNQCLSA-N 1 0 348.447 2.511 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC000983047349 721777024 /nfs/dbraw/zinc/77/70/24/721777024.db2.gz IOVHSOLJMKISPL-HDJSIYSDSA-N 1 0 345.424 2.955 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC000983047372 721777051 /nfs/dbraw/zinc/77/70/51/721777051.db2.gz JOAXVTBUBWJHBU-HDJSIYSDSA-N 1 0 345.424 2.955 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ccsc1 ZINC000983097358 721805867 /nfs/dbraw/zinc/80/58/67/721805867.db2.gz MSHWNHFZPXFWPE-CTYIDZIISA-N 1 0 345.424 2.955 20 5 EFBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]1 ZINC000261865994 721842873 /nfs/dbraw/zinc/84/28/73/721842873.db2.gz KSYPLRUZTAQRHR-CYBMUJFWSA-N 1 0 333.310 2.794 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001165036194 721885949 /nfs/dbraw/zinc/88/59/49/721885949.db2.gz RBICFWLFEOKPAH-SNVBAGLBSA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001165034482 721888812 /nfs/dbraw/zinc/88/88/12/721888812.db2.gz GIVAIKSYXMMVAY-LLVKDONJSA-N 1 0 335.795 2.722 20 5 EFBDRO COc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049720 721967507 /nfs/dbraw/zinc/96/75/07/721967507.db2.gz VXKGXTCFTMLASP-CQSZACIVSA-N 1 0 334.420 2.843 20 5 EFBDRO O=C(C=C1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983452126 722640325 /nfs/dbraw/zinc/64/03/25/722640325.db2.gz MDTQQYKCNHIZPK-WKILWMFISA-N 1 0 329.400 2.690 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=CCCC1 ZINC000983461195 722647873 /nfs/dbraw/zinc/64/78/73/722647873.db2.gz JJEFMEKIJIZTCX-KOMQPUFPSA-N 1 0 329.400 2.690 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000894395452 722695281 /nfs/dbraw/zinc/69/52/81/722695281.db2.gz FFNZVJXVZZASBM-HNNXBMFYSA-N 1 0 348.447 2.777 20 5 EFBDRO CC1(C)CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000917526706 728755509 /nfs/dbraw/zinc/75/55/09/728755509.db2.gz RQGKNCAYASPTCA-UHFFFAOYSA-N 1 0 349.431 2.789 20 5 EFBDRO Cc1nn(C(C)C)c(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000894448169 722739965 /nfs/dbraw/zinc/73/99/65/722739965.db2.gz LOJMQIFFNXTRAS-UHFFFAOYSA-N 1 0 331.420 2.954 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCO2)ccc1Oc1ccc(F)cc1 ZINC000894869591 722925688 /nfs/dbraw/zinc/92/56/88/722925688.db2.gz CGSSHPUWLQZHME-HNNXBMFYSA-N 1 0 348.330 2.989 20 5 EFBDRO COc1c(O)ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894901003 723018648 /nfs/dbraw/zinc/01/86/48/723018648.db2.gz PHPCLOOGTKEDSL-CABCVRRESA-N 1 0 344.367 2.617 20 5 EFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000895014062 723050576 /nfs/dbraw/zinc/05/05/76/723050576.db2.gz YGDMDMCMIDGMFH-LDCOFTPGSA-N 1 0 327.388 2.914 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C[NH3+] ZINC000841232956 723054675 /nfs/dbraw/zinc/05/46/75/723054675.db2.gz HNDWTJBNPGOYRL-ZJUUUORDSA-N 1 0 326.784 2.697 20 5 EFBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[NH2+]1 ZINC000895058142 723105507 /nfs/dbraw/zinc/10/55/07/723105507.db2.gz IEELIUBHYCLKRN-SNVBAGLBSA-N 1 0 343.225 2.639 20 5 EFBDRO Cc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000727768368 723115143 /nfs/dbraw/zinc/11/51/43/723115143.db2.gz DACHVWUCDVWSND-OKILXGFUSA-N 1 0 348.447 2.583 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895065127 723152541 /nfs/dbraw/zinc/15/25/41/723152541.db2.gz DGFZDQCCUQRVNQ-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000984624037 723191343 /nfs/dbraw/zinc/19/13/43/723191343.db2.gz RXRVRMPWYUVOAV-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001029264054 723199792 /nfs/dbraw/zinc/19/97/92/723199792.db2.gz PJZVSCHUFJLGLO-NVAVRXRDSA-N 1 0 329.400 2.736 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000984633653 723218905 /nfs/dbraw/zinc/21/89/05/723218905.db2.gz XHZDSPBNOXLUPK-FKJNJTITSA-N 1 0 343.427 2.625 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917899111 728802947 /nfs/dbraw/zinc/80/29/47/728802947.db2.gz RSGPKDQCLYRILI-CZUORRHYSA-N 1 0 334.420 2.829 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(C2CC2)CC1 ZINC000983952117 723272601 /nfs/dbraw/zinc/27/26/01/723272601.db2.gz OMSJCXZSZYCFRN-KOMQPUFPSA-N 1 0 343.427 2.769 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378133 723275630 /nfs/dbraw/zinc/27/56/30/723275630.db2.gz OBKRWMPTMJYJFX-LLVKDONJSA-N 1 0 346.305 2.808 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000896509802 723322069 /nfs/dbraw/zinc/32/20/69/723322069.db2.gz YJHWLPRUVJBQST-INIZCTEOSA-N 1 0 333.432 2.907 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC=CC1 ZINC000984740759 723391787 /nfs/dbraw/zinc/39/17/87/723391787.db2.gz CWRZCPBKPSKVCM-WKILWMFISA-N 1 0 343.427 2.936 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896611598 723400907 /nfs/dbraw/zinc/40/09/07/723400907.db2.gz BZZPMQDXCMDBEN-CYBMUJFWSA-N 1 0 346.431 2.972 20 5 EFBDRO CCn1cnc2c1CCN(c1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC000896659925 723421476 /nfs/dbraw/zinc/42/14/76/723421476.db2.gz ORZFRYSULZSJNW-UHFFFAOYSA-N 1 0 329.385 2.984 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1 ZINC000262157928 723461147 /nfs/dbraw/zinc/46/11/47/723461147.db2.gz GOLDQVOOQDEFMX-GOSISDBHSA-N 1 0 345.374 2.759 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895246745 723940954 /nfs/dbraw/zinc/94/09/54/723940954.db2.gz DFEBBZGUMGTMBD-QMTHXVAHSA-N 1 0 328.363 2.579 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001029561069 723958395 /nfs/dbraw/zinc/95/83/95/723958395.db2.gz KUFDGQBPOVQYHF-GASCZTMLSA-N 1 0 331.416 2.816 20 5 EFBDRO CC(C)=CC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985230681 724005320 /nfs/dbraw/zinc/00/53/20/724005320.db2.gz IXNBHWUBFIRYRO-UHFFFAOYSA-N 1 0 331.416 2.984 20 5 EFBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895317446 724022069 /nfs/dbraw/zinc/02/20/69/724022069.db2.gz ODIHGHCDSDMPGA-OAHLLOKOSA-N 1 0 345.424 2.938 20 5 EFBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895316878 724023278 /nfs/dbraw/zinc/02/32/78/724023278.db2.gz RXQRELMIOCTHAU-OAHLLOKOSA-N 1 0 345.424 2.938 20 5 EFBDRO CC1(C)CC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000897248802 724121726 /nfs/dbraw/zinc/12/17/26/724121726.db2.gz BVWHVXJYGVGART-UHFFFAOYSA-N 1 0 332.404 2.623 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897258016 724138084 /nfs/dbraw/zinc/13/80/84/724138084.db2.gz OVQVLPAHNWEBMR-OAHLLOKOSA-N 1 0 334.416 2.718 20 5 EFBDRO Cc1cn(C[N@H+]2CCC[C@@H]2C(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707193 724142378 /nfs/dbraw/zinc/14/23/78/724142378.db2.gz LFBDCYXCCDBNGF-OAHLLOKOSA-N 1 0 344.415 2.934 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000985358591 724166177 /nfs/dbraw/zinc/16/61/77/724166177.db2.gz ZOBIWQAPGIEPBA-HJWRWDBZSA-N 1 0 343.427 2.984 20 5 EFBDRO CCO/C=C\[C@@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895713856 724273890 /nfs/dbraw/zinc/27/38/90/724273890.db2.gz OZJCLZSDDZHPDR-QQBNSCQMSA-N 1 0 348.321 2.571 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC000985442624 724370602 /nfs/dbraw/zinc/37/06/02/724370602.db2.gz JXTHEULBRKLQFV-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C2(C)CC2)CC1 ZINC000985443591 724373165 /nfs/dbraw/zinc/37/31/65/724373165.db2.gz WUDZJMGJDMORLD-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO O=C1N(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154783303 728908686 /nfs/dbraw/zinc/90/86/86/728908686.db2.gz MOICCKPTLBVGQH-OKILXGFUSA-N 1 0 330.388 2.526 20 5 EFBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925231169 724984051 /nfs/dbraw/zinc/98/40/51/724984051.db2.gz ASRQVZUHIRJDRW-CYBMUJFWSA-N 1 0 332.404 2.536 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925238197 725028183 /nfs/dbraw/zinc/02/81/83/725028183.db2.gz MANYPEVTMUEMDL-KGLIPLIRSA-N 1 0 334.420 2.639 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925238209 725028197 /nfs/dbraw/zinc/02/81/97/725028197.db2.gz MANYPEVTMUEMDL-ZIAGYGMSSA-N 1 0 334.420 2.639 20 5 EFBDRO CC(C)[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000741013790 725588241 /nfs/dbraw/zinc/58/82/41/725588241.db2.gz NPKYYYOPHBFNQG-MRXNPFEDSA-N 1 0 336.388 2.637 20 5 EFBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000913875719 725914309 /nfs/dbraw/zinc/91/43/09/725914309.db2.gz YZDFVHVQULNMJB-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000914149915 726082869 /nfs/dbraw/zinc/08/28/69/726082869.db2.gz JSUSRRJPZWOACW-XNRPHZJLSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000914149917 726082953 /nfs/dbraw/zinc/08/29/53/726082953.db2.gz JSUSRRJPZWOACW-XPKDYRNWSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H]1CC[N@H+](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000897443672 726211115 /nfs/dbraw/zinc/21/11/15/726211115.db2.gz YSXGUXBJMCSEPV-AWEZNQCLSA-N 1 0 346.431 2.611 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000914337245 726250868 /nfs/dbraw/zinc/25/08/68/726250868.db2.gz JZCDCTKFRBMLIM-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO C[NH+](C)C[C@H](O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000915214014 726899592 /nfs/dbraw/zinc/89/95/92/726899592.db2.gz ZZYWSMCHCLKIPK-SSDOTTSWSA-N 1 0 341.717 2.601 20 5 EFBDRO C[NH+](C)C[C@@H](O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000915214015 726899655 /nfs/dbraw/zinc/89/96/55/726899655.db2.gz ZZYWSMCHCLKIPK-ZETCQYMHSA-N 1 0 341.717 2.601 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000731678172 726916745 /nfs/dbraw/zinc/91/67/45/726916745.db2.gz HPVPITRXARIGNU-INIZCTEOSA-N 1 0 344.367 2.579 20 5 EFBDRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000731678040 726916751 /nfs/dbraw/zinc/91/67/51/726916751.db2.gz FTQYGBVMZBRINV-MRXNPFEDSA-N 1 0 346.383 2.825 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000888279433 727062360 /nfs/dbraw/zinc/06/23/60/727062360.db2.gz DIYHVYRJADHMFB-UHFFFAOYSA-N 1 0 326.784 2.772 20 5 EFBDRO C[NH+](C)CC1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1 ZINC000907964116 727064722 /nfs/dbraw/zinc/06/47/22/727064722.db2.gz PTPTWRQZRGNIJC-UHFFFAOYSA-N 1 0 329.759 2.601 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732567702 727158656 /nfs/dbraw/zinc/15/86/56/727158656.db2.gz RWKBFFFEUIFGSY-LBPRGKRZSA-N 1 0 334.420 2.629 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910280851 727426862 /nfs/dbraw/zinc/42/68/62/727426862.db2.gz SYQZUDUFRCRYOQ-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000910282702 727427085 /nfs/dbraw/zinc/42/70/85/727427085.db2.gz IRPHKGYHYKTOEI-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCN2Cc2ccccc2)C1 ZINC000910791346 727463976 /nfs/dbraw/zinc/46/39/76/727463976.db2.gz RJHVSHJLWUOJLH-UHFFFAOYSA-N 1 0 337.379 2.695 20 5 EFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911794043 727600715 /nfs/dbraw/zinc/60/07/15/727600715.db2.gz FBWFBLYVRRUXIN-DLBZAZTESA-N 1 0 337.379 2.983 20 5 EFBDRO CC[NH+](CC)CCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000916555661 727696212 /nfs/dbraw/zinc/69/62/12/727696212.db2.gz KZTDNSFVJBAWRN-LBPRGKRZSA-N 1 0 326.418 2.960 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000912683423 727734508 /nfs/dbraw/zinc/73/45/08/727734508.db2.gz IZTSLNOBQCCEIO-JTQLQIEISA-N 1 0 329.759 2.601 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000150927964 727739138 /nfs/dbraw/zinc/73/91/38/727739138.db2.gz NUSGHVCODICWSF-AWEZNQCLSA-N 1 0 349.406 2.990 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000912811283 727747340 /nfs/dbraw/zinc/74/73/40/727747340.db2.gz HMHRHIHEKKUSSA-WBMJQRKESA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000912812283 727747559 /nfs/dbraw/zinc/74/75/59/727747559.db2.gz VCXPMLUWTNENRB-SWLSCSKDSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000912812888 727747671 /nfs/dbraw/zinc/74/76/71/727747671.db2.gz CCFFMTMHPMCHNH-BLLLJJGKSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000912815390 727748855 /nfs/dbraw/zinc/74/88/55/727748855.db2.gz LARMTLBEDSJANC-RHSMWYFYSA-N 1 0 333.432 2.716 20 5 EFBDRO Cc1cc(F)cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000150944589 727752458 /nfs/dbraw/zinc/75/24/58/727752458.db2.gz RPNMUYGWNSQJEI-AWEZNQCLSA-N 1 0 337.395 2.989 20 5 EFBDRO CC[NH+]1CCN(c2ccc(Nc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000917003587 727753838 /nfs/dbraw/zinc/75/38/38/727753838.db2.gz NQTAWGFDHBKIOV-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccc(F)cc1 ZINC000917090393 727766229 /nfs/dbraw/zinc/76/62/29/727766229.db2.gz MNZJNKFGBQUIAX-AWEZNQCLSA-N 1 0 345.334 2.985 20 5 EFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccc(F)cc1 ZINC000917090394 727766240 /nfs/dbraw/zinc/76/62/40/727766240.db2.gz MNZJNKFGBQUIAX-CQSZACIVSA-N 1 0 345.334 2.985 20 5 EFBDRO Cc1c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000917138088 727776221 /nfs/dbraw/zinc/77/62/21/727776221.db2.gz VELFIHGZNMJHSO-UHFFFAOYSA-N 1 0 348.424 2.738 20 5 EFBDRO Cc1c(C[NH2+]CC(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000917138062 727776311 /nfs/dbraw/zinc/77/63/11/727776311.db2.gz SJRWKXNIMUTWBN-UHFFFAOYSA-N 1 0 327.384 2.651 20 5 EFBDRO NC(=O)CC[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174842473 727787265 /nfs/dbraw/zinc/78/72/65/727787265.db2.gz ZWOJTLDRVLSVRE-NSHDSACASA-N 1 0 325.796 2.726 20 5 EFBDRO CC(C)C[C@@H]1CCCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000129618294 727955365 /nfs/dbraw/zinc/95/53/65/727955365.db2.gz IRGAPYFOVHKVIZ-LBPRGKRZSA-N 1 0 331.372 2.659 20 5 EFBDRO CC(C)C[C@@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000129617846 727955555 /nfs/dbraw/zinc/95/55/55/727955555.db2.gz JHPNQENILZZTIH-LBPRGKRZSA-N 1 0 331.372 2.659 20 5 EFBDRO CC[NH2+]Cc1ccc(OCCn2c(C)ncc2[N+](=O)[O-])c(OCC)c1 ZINC000061003247 728463552 /nfs/dbraw/zinc/46/35/52/728463552.db2.gz WYYBPYUKFSLWBU-UHFFFAOYSA-N 1 0 348.403 2.687 20 5 EFBDRO CCOC(=O)CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172173284 728570802 /nfs/dbraw/zinc/57/08/02/728570802.db2.gz AMOPLNJMQBGPOK-UHFFFAOYSA-N 1 0 349.431 2.840 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000172512346 728594585 /nfs/dbraw/zinc/59/45/85/728594585.db2.gz HKYKLRSXLIYPDB-UHFFFAOYSA-N 1 0 343.431 2.852 20 5 EFBDRO Cc1cc[nH]c1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000991924959 728604048 /nfs/dbraw/zinc/60/40/48/728604048.db2.gz BPHWTYBRIDYKOJ-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172775642 728605317 /nfs/dbraw/zinc/60/53/17/728605317.db2.gz FPOCWKJQVWRNNM-AWEZNQCLSA-N 1 0 346.431 2.790 20 5 EFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173307996 728622121 /nfs/dbraw/zinc/62/21/21/728622121.db2.gz VPXDWNZCTFIJDM-SJKOYZFVSA-N 1 0 346.383 2.996 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000919721966 729074876 /nfs/dbraw/zinc/07/48/76/729074876.db2.gz HPDXBFPSOFLYFC-UPJWGTAASA-N 1 0 345.403 2.973 20 5 EFBDRO C[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000919859109 729098552 /nfs/dbraw/zinc/09/85/52/729098552.db2.gz IDLDCHULVXVUIW-XFXZXTDPSA-N 1 0 339.395 2.856 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920507076 729192712 /nfs/dbraw/zinc/19/27/12/729192712.db2.gz NXTRIRXNBSCDED-CYBMUJFWSA-N 1 0 334.420 2.829 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000921088415 729258829 /nfs/dbraw/zinc/25/88/29/729258829.db2.gz PMOJXQBORMWIOE-UHFFFAOYSA-N 1 0 336.436 2.709 20 5 EFBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000233487498 729496078 /nfs/dbraw/zinc/49/60/78/729496078.db2.gz ZGGNWAFHVBBAOR-NSHDSACASA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175521321 729506878 /nfs/dbraw/zinc/50/68/78/729506878.db2.gz PDEHUYBIJWEMPF-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000873191354 1126119308 /nfs/dbraw/zinc/11/93/08/1126119308.db2.gz MQLHFUITARDXOO-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)(C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001575101306 1088242146 /nfs/dbraw/zinc/24/21/46/1088242146.db2.gz XFWIDAOSXQWNEC-AWEZNQCLSA-N 1 0 339.395 2.789 20 5 EFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001575116330 1088251953 /nfs/dbraw/zinc/25/19/53/1088251953.db2.gz RTZWEZBMSWEBBM-MRXNPFEDSA-N 1 0 336.392 2.700 20 5 EFBDRO CC(C)(C)[NH2+]CCNCc1ccc(Br)cc1[N+](=O)[O-] ZINC001575149330 1088267308 /nfs/dbraw/zinc/26/73/08/1088267308.db2.gz FJDIELWWHAKLBM-UHFFFAOYSA-N 1 0 330.226 2.835 20 5 EFBDRO CC(C)[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC001575415465 1088454164 /nfs/dbraw/zinc/45/41/64/1088454164.db2.gz SXJXKRGMLZZJHH-QPUJVOFHSA-N 1 0 331.775 2.623 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001575540027 1088543472 /nfs/dbraw/zinc/54/34/72/1088543472.db2.gz DRTUNGOIVMVELN-LLVKDONJSA-N 1 0 325.384 2.501 20 5 EFBDRO CC(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001575727810 1088649377 /nfs/dbraw/zinc/64/93/77/1088649377.db2.gz RZLNEOACVULLHD-UHFFFAOYSA-N 1 0 341.367 2.762 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001576439329 1089238684 /nfs/dbraw/zinc/23/86/84/1089238684.db2.gz AZGUHQYIZSQXLO-OAHLLOKOSA-N 1 0 328.372 2.860 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001576470252 1089276620 /nfs/dbraw/zinc/27/66/20/1089276620.db2.gz YDRIVAULZGHUNJ-GFCCVEGCSA-N 1 0 332.385 2.655 20 5 EFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001576481326 1089285546 /nfs/dbraw/zinc/28/55/46/1089285546.db2.gz XMIWAFUPFQTGGE-INIZCTEOSA-N 1 0 346.431 2.657 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001576531560 1089314258 /nfs/dbraw/zinc/31/42/58/1089314258.db2.gz UGPHCWNXUZDDOA-RHSMWYFYSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@@]1(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[NH2+]C1 ZINC001576541700 1089318531 /nfs/dbraw/zinc/31/85/31/1089318531.db2.gz MRJVWKXHLYGLLV-GFCCVEGCSA-N 1 0 336.150 2.523 20 5 EFBDRO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576681591 1089392572 /nfs/dbraw/zinc/39/25/72/1089392572.db2.gz JVMAYNUIGXQAMR-ZUZCIYMTSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576748352 1089435730 /nfs/dbraw/zinc/43/57/30/1089435730.db2.gz IVCKXAWJGRDMTO-ZDMBXUJBSA-N 1 0 345.321 2.730 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576880894 1089505114 /nfs/dbraw/zinc/50/51/14/1089505114.db2.gz SAPLCIZYMUDRLP-KXUCPTDWSA-N 1 0 345.321 2.825 20 5 EFBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001576910751 1089524507 /nfs/dbraw/zinc/52/45/07/1089524507.db2.gz WACKGEITHBZFDS-BXKDBHETSA-N 1 0 349.412 2.652 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001577096638 1089652238 /nfs/dbraw/zinc/65/22/38/1089652238.db2.gz SNUCQZLDOVWXLL-OAHLLOKOSA-N 1 0 331.416 2.518 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001577096535 1089652853 /nfs/dbraw/zinc/65/28/53/1089652853.db2.gz PWEDWRXSLTVBAT-FVQBIDKESA-N 1 0 333.432 2.607 20 5 EFBDRO CCC1([NH3+])CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC001577228135 1089761171 /nfs/dbraw/zinc/76/11/71/1089761171.db2.gz ZBYNAXZQLDBZFR-UHFFFAOYSA-N 1 0 325.796 2.900 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC001577492534 1090006165 /nfs/dbraw/zinc/00/61/65/1090006165.db2.gz WHYVLICKCBSMHY-LBPRGKRZSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001577818581 1090194685 /nfs/dbraw/zinc/19/46/85/1090194685.db2.gz RJRMBVFUDXISSG-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO CCNc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC001577902290 1090209413 /nfs/dbraw/zinc/20/94/13/1090209413.db2.gz MIUOWILCALTKEU-DOMZBBRYSA-N 1 0 334.420 2.616 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC001578189120 1090298421 /nfs/dbraw/zinc/29/84/21/1090298421.db2.gz CMFLCWORHCBYCA-CHWSQXEVSA-N 1 0 335.404 2.958 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC001578189121 1090298906 /nfs/dbraw/zinc/29/89/06/1090298906.db2.gz CMFLCWORHCBYCA-OLZOCXBDSA-N 1 0 335.404 2.958 20 5 EFBDRO CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578224306 1090313741 /nfs/dbraw/zinc/31/37/41/1090313741.db2.gz RBODPKKAUSTUQU-YSVLISHTSA-N 1 0 332.404 2.569 20 5 EFBDRO CC[C@H](NC(=O)c1ccc2n1CC[NH2+][C@@H]2C)c1cccc([N+](=O)[O-])c1 ZINC001578233949 1090313971 /nfs/dbraw/zinc/31/39/71/1090313971.db2.gz AZOJJJXDFYXTFV-DOMZBBRYSA-N 1 0 342.399 2.942 20 5 EFBDRO CN(C(=O)CC[NH2+]C1CC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001578376007 1090354325 /nfs/dbraw/zinc/35/43/25/1090354325.db2.gz BDQGUWDMYWFFEZ-UHFFFAOYSA-N 1 0 346.412 2.823 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1(C[NH3+])CCCCC1 ZINC001578389508 1090359627 /nfs/dbraw/zinc/35/96/27/1090359627.db2.gz PFFAGPCAKPIDFP-UHFFFAOYSA-N 1 0 325.796 2.982 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC001578478863 1090382124 /nfs/dbraw/zinc/38/21/24/1090382124.db2.gz WNRDFUOEROSHPE-SJORKVTESA-N 1 0 333.432 2.893 20 5 EFBDRO C[NH2+][C@@H](CNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC001578591033 1090405485 /nfs/dbraw/zinc/40/54/85/1090405485.db2.gz ANKJYELBIRREGX-GFCCVEGCSA-N 1 0 331.401 2.547 20 5 EFBDRO C[NH2+][C@H](CNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC001578591034 1090405489 /nfs/dbraw/zinc/40/54/89/1090405489.db2.gz ANKJYELBIRREGX-LBPRGKRZSA-N 1 0 331.401 2.547 20 5 EFBDRO CNc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1[N+](=O)[O-] ZINC001578756996 1090437235 /nfs/dbraw/zinc/43/72/35/1090437235.db2.gz GCLGQPQCAZPKOX-UONOGXRCSA-N 1 0 326.356 2.703 20 5 EFBDRO COC(=O)c1cc(C)nc(Nc2cc(C)cc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001578855923 1090455306 /nfs/dbraw/zinc/45/53/06/1090455306.db2.gz LDMVOABTMAHJAF-UHFFFAOYSA-N 1 0 330.344 2.596 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[NH2+]C1(C)C ZINC001578864631 1090457621 /nfs/dbraw/zinc/45/76/21/1090457621.db2.gz RZXHZAGMKAOOPY-NSHDSACASA-N 1 0 327.768 2.587 20 5 EFBDRO COc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193942 1090541941 /nfs/dbraw/zinc/54/19/41/1090541941.db2.gz YDIWXZDLYCGSGA-XIKOKIGWSA-N 1 0 343.383 2.655 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2[NH3+])cc1 ZINC001579240012 1090556560 /nfs/dbraw/zinc/55/65/60/1090556560.db2.gz LSKWIQDALFXYHK-FUHWJXTLSA-N 1 0 345.374 2.669 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2Nc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC001579239132 1090556722 /nfs/dbraw/zinc/55/67/22/1090556722.db2.gz LEFLHHIMHXYJMG-HOTGVXAUSA-N 1 0 342.399 2.864 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccccc2[N+](=O)[O-])cc1 ZINC001579239167 1090557040 /nfs/dbraw/zinc/55/70/40/1090557040.db2.gz LTEAZEIUJWLLKS-ROUUACIJSA-N 1 0 341.411 2.839 20 5 EFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@H]([C@@H](C)[NH3+])C3)c2c1 ZINC001579257381 1090563314 /nfs/dbraw/zinc/56/33/14/1090563314.db2.gz DOJHVUORUZOUKR-NEPJUHHUSA-N 1 0 330.388 2.715 20 5 EFBDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579291679 1090581387 /nfs/dbraw/zinc/58/13/87/1090581387.db2.gz OJJGRPZUALHZBN-SFHVURJKSA-N 1 0 341.367 2.651 20 5 EFBDRO C[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001579473893 1090618959 /nfs/dbraw/zinc/61/89/59/1090618959.db2.gz QMQUGSYXSLEQQM-OCCSQVGLSA-N 1 0 329.322 2.655 20 5 EFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001579482881 1090621118 /nfs/dbraw/zinc/62/11/18/1090621118.db2.gz BLAHBLUOHTVGNX-VIFPVBQESA-N 1 0 345.321 2.732 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001579537480 1090629515 /nfs/dbraw/zinc/62/95/15/1090629515.db2.gz UFBSWFXKANGAAS-UHFFFAOYSA-N 1 0 329.331 2.940 20 5 EFBDRO Cc1c(NC(=O)[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579537674 1090629592 /nfs/dbraw/zinc/62/95/92/1090629592.db2.gz BQQPBGUXGKFMOS-CYBMUJFWSA-N 1 0 331.294 2.860 20 5 EFBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539742 1090629641 /nfs/dbraw/zinc/62/96/41/1090629641.db2.gz KNQQYINIFMDZHM-WCBMZHEXSA-N 1 0 331.294 2.859 20 5 EFBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579539740 1090629665 /nfs/dbraw/zinc/62/96/65/1090629665.db2.gz KNQQYINIFMDZHM-PSASIEDQSA-N 1 0 331.294 2.859 20 5 EFBDRO Cc1cc(C(=O)N2CCC3(C[NH2+][C@@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579559202 1090634143 /nfs/dbraw/zinc/63/41/43/1090634143.db2.gz QKBVMLOUTVAPAN-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001579604873 1090641157 /nfs/dbraw/zinc/64/11/57/1090641157.db2.gz CTZYNCDQXZLDEM-SNVBAGLBSA-N 1 0 341.795 2.639 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001579604919 1090641271 /nfs/dbraw/zinc/64/12/71/1090641271.db2.gz GAMGDUDJXKBEPM-UHFFFAOYSA-N 1 0 337.807 2.913 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001579607821 1090641928 /nfs/dbraw/zinc/64/19/28/1090641928.db2.gz HQPYHWCDOTWIJA-UHFFFAOYSA-N 1 0 329.331 2.940 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001579605862 1090641954 /nfs/dbraw/zinc/64/19/54/1090641954.db2.gz ZZLYPUPZFRIYAD-JTQLQIEISA-N 1 0 325.796 2.675 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001579608697 1090642064 /nfs/dbraw/zinc/64/20/64/1090642064.db2.gz UGVDCEAPHUZHQW-UHFFFAOYSA-N 1 0 343.358 2.618 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC001579609105 1090642743 /nfs/dbraw/zinc/64/27/43/1090642743.db2.gz ZNCSSLAGSPMANO-LBPRGKRZSA-N 1 0 345.334 2.509 20 5 EFBDRO Cc1cc(N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])s1 ZINC001579622017 1090645596 /nfs/dbraw/zinc/64/55/96/1090645596.db2.gz DMSRHIYULOJRJM-SGMGOOAPSA-N 1 0 325.434 2.687 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001579630230 1090647044 /nfs/dbraw/zinc/64/70/44/1090647044.db2.gz KEKQZYIKGUHOKR-GHMZBOCLSA-N 1 0 346.309 2.647 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001579630231 1090647341 /nfs/dbraw/zinc/64/73/41/1090647341.db2.gz KEKQZYIKGUHOKR-MNOVXSKESA-N 1 0 346.309 2.647 20 5 EFBDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001579634711 1090647963 /nfs/dbraw/zinc/64/79/63/1090647963.db2.gz FEIYQTIMWROOKE-AWEZNQCLSA-N 1 0 343.387 2.585 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001579642474 1090648667 /nfs/dbraw/zinc/64/86/67/1090648667.db2.gz HYXPSNICXPQIGZ-BXUZGUMPSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1Cl ZINC001579642345 1090648747 /nfs/dbraw/zinc/64/87/47/1090648747.db2.gz AXBWYLJXJVEIRE-QEVYDEPDSA-N 1 0 325.796 2.673 20 5 EFBDRO Cc1cc(OCC(=O)Nc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001579639408 1090648955 /nfs/dbraw/zinc/64/89/55/1090648955.db2.gz IHJJDPOBUKKCOI-UHFFFAOYSA-N 1 0 341.367 2.566 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@H]1C[NH3+] ZINC001579642714 1090649985 /nfs/dbraw/zinc/64/99/85/1090649985.db2.gz SDGIOOHRTTYMMF-HNNXBMFYSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c(N)c1[N+](=O)[O-] ZINC001579715626 1090669217 /nfs/dbraw/zinc/66/92/17/1090669217.db2.gz ZIEDUYGBMUKWOH-AWEZNQCLSA-N 1 0 326.356 2.659 20 5 EFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001580158873 1090792951 /nfs/dbraw/zinc/79/29/51/1090792951.db2.gz ZLKWHMVOMLCTHU-GXTWGEPZSA-N 1 0 329.322 2.927 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580177531 1090801276 /nfs/dbraw/zinc/80/12/76/1090801276.db2.gz QCBCGXWMUNLJOT-BHYGNILZSA-N 1 0 331.416 2.818 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001580206891 1090810397 /nfs/dbraw/zinc/81/03/97/1090810397.db2.gz NJSMNVWBGUAPIL-ZDUSSCGKSA-N 1 0 337.335 2.871 20 5 EFBDRO [NH3+]C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC001580216262 1090815139 /nfs/dbraw/zinc/81/51/39/1090815139.db2.gz XDFJGGSKKWDMEC-KRWDZBQOSA-N 1 0 348.447 2.668 20 5 EFBDRO [NH3+]CC1(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC001580244205 1090828641 /nfs/dbraw/zinc/82/86/41/1090828641.db2.gz MVABKXXHCZQPBS-UHFFFAOYSA-N 1 0 335.407 2.540 20 5 EFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580310168 1090858204 /nfs/dbraw/zinc/85/82/04/1090858204.db2.gz FKLYLLZDBMXRCF-ZWKOTPCHSA-N 1 0 339.395 2.686 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001580331859 1090864598 /nfs/dbraw/zinc/86/45/98/1090864598.db2.gz SGAUUFJAZQSGCG-MGCOHNPYSA-N 1 0 345.321 2.861 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001580331844 1090865022 /nfs/dbraw/zinc/86/50/22/1090865022.db2.gz PMNJYGSTUGLEMT-WKILWMFISA-N 1 0 348.447 2.734 20 5 EFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001580340400 1090870320 /nfs/dbraw/zinc/87/03/20/1090870320.db2.gz ZUQKINVGFULZRU-UHFFFAOYSA-N 1 0 343.358 2.715 20 5 EFBDRO [NH3+]Cc1cccnc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001580347073 1090873028 /nfs/dbraw/zinc/87/30/28/1090873028.db2.gz JXMBPECAKVXTLF-UHFFFAOYSA-N 1 0 334.763 2.673 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH2+]CC12CCCCC2 ZINC001580820969 1091020797 /nfs/dbraw/zinc/02/07/97/1091020797.db2.gz LGAFRXLMRKQZEB-UHFFFAOYSA-N 1 0 337.807 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC001580876071 1091031069 /nfs/dbraw/zinc/03/10/69/1091031069.db2.gz ZMNWBFNPQRKTNQ-UHFFFAOYSA-N 1 0 326.828 2.736 20 5 EFBDRO C[NH+](C)CCCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104424033 1092989480 /nfs/dbraw/zinc/98/94/80/1092989480.db2.gz LNJUZLYUSXWFAL-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC(C)([NH2+]Cc1csc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001589324570 1093075041 /nfs/dbraw/zinc/07/50/41/1093075041.db2.gz HVHNQLVUVHAPNF-UHFFFAOYSA-N 1 0 344.400 2.861 20 5 EFBDRO CC1(C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001590104891 1093270544 /nfs/dbraw/zinc/27/05/44/1093270544.db2.gz XGVFUPFBJZPGBL-DZGCQCFKSA-N 1 0 342.403 2.785 20 5 EFBDRO CC1(C2CC2)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590121755 1093275599 /nfs/dbraw/zinc/27/55/99/1093275599.db2.gz COXVPZLADHEJMY-UHFFFAOYSA-N 1 0 342.403 2.787 20 5 EFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590189652 1093298896 /nfs/dbraw/zinc/29/88/96/1093298896.db2.gz WLZKOARPGBBJCT-IJLUTSLNSA-N 1 0 330.392 2.641 20 5 EFBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590352618 1093387729 /nfs/dbraw/zinc/38/77/29/1093387729.db2.gz CGTKBQHKYAHABI-ZRMMWKCHSA-N 1 0 342.403 2.953 20 5 EFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590849762 1093596823 /nfs/dbraw/zinc/59/68/23/1093596823.db2.gz BVGCHJVWIZVBNM-GXTWGEPZSA-N 1 0 348.432 2.539 20 5 EFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590857369 1093604230 /nfs/dbraw/zinc/60/42/30/1093604230.db2.gz LRCCGDOSONENFZ-SMDDNHRTSA-N 1 0 330.392 2.928 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(-c2nn[nH]n2)cs1 ZINC001591121019 1093663682 /nfs/dbraw/zinc/66/36/82/1093663682.db2.gz KZFMEJLXPWEPLY-UHFFFAOYSA-N 1 0 344.400 2.511 20 5 EFBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC001591137105 1093671011 /nfs/dbraw/zinc/67/10/11/1093671011.db2.gz RQOYDHNZGRIAFJ-ZDUSSCGKSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001591770030 1093852897 /nfs/dbraw/zinc/85/28/97/1093852897.db2.gz OIDQRVATELGMSB-LBPRGKRZSA-N 1 0 338.371 2.668 20 5 EFBDRO Cc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001591866537 1093902415 /nfs/dbraw/zinc/90/24/15/1093902415.db2.gz NTWZKPUDSXRVLU-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001593483139 1094327348 /nfs/dbraw/zinc/32/73/48/1094327348.db2.gz VRYFJFRJMKTTET-SMDDNHRTSA-N 1 0 328.376 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218397851 1094485014 /nfs/dbraw/zinc/48/50/14/1094485014.db2.gz ABWRPSOPAQJPCY-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000893664738 1095680575 /nfs/dbraw/zinc/68/05/75/1095680575.db2.gz DFUNTCIQQYXPDC-QGZVFWFLSA-N 1 0 329.404 2.652 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310241208 1095784100 /nfs/dbraw/zinc/78/41/00/1095784100.db2.gz BQAFBJDGNXHCMJ-KRWDZBQOSA-N 1 0 329.404 2.652 20 5 EFBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603270893 1096491705 /nfs/dbraw/zinc/49/17/05/1096491705.db2.gz SIMSKJCENFAXKT-CQSZACIVSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603884208 1096657967 /nfs/dbraw/zinc/65/79/67/1096657967.db2.gz JKNKZMDGLPRXTH-HBYGRHMLSA-N 1 0 330.392 2.689 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603891561 1096661715 /nfs/dbraw/zinc/66/17/15/1096661715.db2.gz STQDPUBYFYCEGQ-FZMZJTMJSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603936556 1096674084 /nfs/dbraw/zinc/67/40/84/1096674084.db2.gz SSAVQBVEZWHUTJ-LLVKDONJSA-N 1 0 330.392 2.643 20 5 EFBDRO CC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001604063240 1096717242 /nfs/dbraw/zinc/71/72/42/1096717242.db2.gz XCFXAYLMSDCZRY-QWHCGFSZSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604103222 1096737687 /nfs/dbraw/zinc/73/76/87/1096737687.db2.gz RZHRPCLAUPKQBS-AWEZNQCLSA-N 1 0 330.392 2.930 20 5 EFBDRO CCC[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604144855 1096751943 /nfs/dbraw/zinc/75/19/43/1096751943.db2.gz NBWFRTIHZLCIIC-CQSZACIVSA-N 1 0 330.392 2.833 20 5 EFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604487750 1096879061 /nfs/dbraw/zinc/87/90/61/1096879061.db2.gz GTVMAHWADQEFKS-VXGBXAGGSA-N 1 0 330.392 2.785 20 5 EFBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC001604794824 1096957208 /nfs/dbraw/zinc/95/72/08/1096957208.db2.gz IXWGIGKIHWUQSC-NSHDSACASA-N 1 0 330.392 2.785 20 5 EFBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609145264 1098168039 /nfs/dbraw/zinc/16/80/39/1098168039.db2.gz IAMOXAASVOEOFN-AWEZNQCLSA-N 1 0 330.392 2.833 20 5 EFBDRO CC1CCC([N@H+](C)Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001609161162 1098175401 /nfs/dbraw/zinc/17/54/01/1098175401.db2.gz MRIGHWALQMGKIF-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609163426 1098177833 /nfs/dbraw/zinc/17/78/33/1098177833.db2.gz ZMZCRPLMLLXJFA-SMDDNHRTSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609163425 1098178155 /nfs/dbraw/zinc/17/81/55/1098178155.db2.gz ZMZCRPLMLLXJFA-RISCZKNCSA-N 1 0 330.392 2.785 20 5 EFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001609164020 1098178225 /nfs/dbraw/zinc/17/82/25/1098178225.db2.gz KFUGCUCCENGYCB-UHIISALHSA-N 1 0 330.392 2.689 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])s1 ZINC001609420257 1098304490 /nfs/dbraw/zinc/30/44/90/1098304490.db2.gz AZVOORDZLXNJLF-JTQLQIEISA-N 1 0 344.400 2.996 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC2(CCCC2)CC1 ZINC001609603099 1098396855 /nfs/dbraw/zinc/39/68/55/1098396855.db2.gz ZMKIWJIQWAQBMX-UHFFFAOYSA-N 1 0 342.403 2.931 20 5 EFBDRO COc1cc(Br)c(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001226279208 1099596790 /nfs/dbraw/zinc/59/67/90/1099596790.db2.gz GSJBKPHAWKSAAZ-SECBINFHSA-N 1 0 348.217 2.839 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000843763130 1099622674 /nfs/dbraw/zinc/62/26/74/1099622674.db2.gz FFQYZNJOEAYKBD-UHFFFAOYSA-N 1 0 335.379 2.743 20 5 EFBDRO CN1CCc2c(N(C(N)=[NH2+])c3ccc(F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001167994608 1099761152 /nfs/dbraw/zinc/76/11/52/1099761152.db2.gz NXWWYRGRXFIKPC-UHFFFAOYSA-N 1 0 343.362 2.753 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000044559271 1100307879 /nfs/dbraw/zinc/30/78/79/1100307879.db2.gz DHJCIDQZKOKEPR-LBPRGKRZSA-N 1 0 328.210 2.671 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000748087679 1101568879 /nfs/dbraw/zinc/56/88/79/1101568879.db2.gz AESMCARPTALCBY-AWEZNQCLSA-N 1 0 330.388 2.774 20 5 EFBDRO [NH3+]CCC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000070188684 1101767253 /nfs/dbraw/zinc/76/72/53/1101767253.db2.gz YARZWUJQJYNECC-UHFFFAOYSA-N 1 0 328.210 2.923 20 5 EFBDRO CCCN(c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000071332441 1101877064 /nfs/dbraw/zinc/87/70/64/1101877064.db2.gz LTWGIAKFCKKFAE-LLVKDONJSA-N 1 0 328.210 2.936 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167159438 1101963357 /nfs/dbraw/zinc/96/33/57/1101963357.db2.gz DMVPOZOVMTZOCG-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CC1 ZINC001167167880 1101976058 /nfs/dbraw/zinc/97/60/58/1101976058.db2.gz USUUPKLMHIMGTL-UHFFFAOYSA-N 1 0 349.406 2.721 20 5 EFBDRO O=C(CCCC(F)(F)F)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167252331 1102148997 /nfs/dbraw/zinc/14/89/97/1102148997.db2.gz BBVSJCBQAZIPGH-UHFFFAOYSA-N 1 0 347.337 2.923 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001167260512 1102184833 /nfs/dbraw/zinc/18/48/33/1102184833.db2.gz VWZSCTYIGUKXLT-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO Cc1c(N(Cc2ccccc2)C2(C[NH3+])COC2)cc(F)cc1[N+](=O)[O-] ZINC001167371424 1102909251 /nfs/dbraw/zinc/90/92/51/1102909251.db2.gz ZLZBEIDOIBQHNI-UHFFFAOYSA-N 1 0 345.374 2.777 20 5 EFBDRO O=C(CC[NH2+]Cc1nc2c(s1)CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905519761 1103301614 /nfs/dbraw/zinc/30/16/14/1103301614.db2.gz FUPNDDCPQACYPI-UHFFFAOYSA-N 1 0 346.412 2.658 20 5 EFBDRO C[C@@H]1Cc2cc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000905565948 1103332453 /nfs/dbraw/zinc/33/24/53/1103332453.db2.gz UGHSUXGQSLMKAF-SJKOYZFVSA-N 1 0 328.368 2.741 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOc2cccc(F)c2)c1 ZINC000905704714 1103515473 /nfs/dbraw/zinc/51/54/73/1103515473.db2.gz OMGIIMYXATZTNT-QGZVFWFLSA-N 1 0 334.347 2.826 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000905984381 1103793006 /nfs/dbraw/zinc/79/30/06/1103793006.db2.gz LYAKHNVSEDGPEU-IJLUTSLNSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000905986393 1103794625 /nfs/dbraw/zinc/79/46/25/1103794625.db2.gz XZUHGABWDNWNAT-CMSWKTDVSA-N 1 0 331.416 2.638 20 5 EFBDRO Cc1cc(NC2(C)CC[NH2+]CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168186581 1104328073 /nfs/dbraw/zinc/32/80/73/1104328073.db2.gz DNDPOZJPXAFCBJ-UHFFFAOYSA-N 1 0 327.388 2.914 20 5 EFBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906635581 1104387693 /nfs/dbraw/zinc/38/76/93/1104387693.db2.gz ZRTUVRSQDBXJRS-IRXDYDNUSA-N 1 0 343.427 2.833 20 5 EFBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841759533 1104829033 /nfs/dbraw/zinc/82/90/33/1104829033.db2.gz ZLDVJFRZGBEARS-MRXNPFEDSA-N 1 0 340.445 2.775 20 5 EFBDRO Cc1ncccc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000898254374 1106288990 /nfs/dbraw/zinc/28/89/90/1106288990.db2.gz CIDFGJBUYQOPED-CYBMUJFWSA-N 1 0 342.399 2.848 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1NCC1CCS(=O)(=O)CC1 ZINC001168296423 1106383876 /nfs/dbraw/zinc/38/38/76/1106383876.db2.gz OBGFHSHYAQPXHA-UHFFFAOYSA-N 1 0 325.498 2.520 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1OC(F)F ZINC000090539947 1106472314 /nfs/dbraw/zinc/47/23/14/1106472314.db2.gz NHPCZGMWOSVBIG-VIFPVBQESA-N 1 0 344.293 2.883 20 5 EFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000904476147 1107965440 /nfs/dbraw/zinc/96/54/40/1107965440.db2.gz RAEAYEBVCFLVJU-SNVBAGLBSA-N 1 0 326.784 2.902 20 5 EFBDRO O=C(C1CC=CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990504532 1108135849 /nfs/dbraw/zinc/13/58/49/1108135849.db2.gz PYXQOEDGNCRYLU-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990611962 1108380408 /nfs/dbraw/zinc/38/04/08/1108380408.db2.gz RPIIXTLNJGOARS-BQYQJAHWSA-N 1 0 329.400 2.642 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)c1 ZINC000905065618 1108388771 /nfs/dbraw/zinc/38/87/71/1108388771.db2.gz IVYQIILYMDJDPK-SFHVURJKSA-N 1 0 330.384 2.652 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167054469 1108760714 /nfs/dbraw/zinc/76/07/14/1108760714.db2.gz FDHMINUIROJSNM-MRVPVSSYSA-N 1 0 342.186 2.949 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCC[C@]23CC[NH2+]C3)n1 ZINC001212122337 1109094682 /nfs/dbraw/zinc/09/46/82/1109094682.db2.gz QUDPBFLEHWLSBU-BDJLRTHQSA-N 1 0 347.350 2.816 20 5 EFBDRO COCCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842173666 1109101723 /nfs/dbraw/zinc/10/17/23/1109101723.db2.gz RRVQUTTYPHEDNM-UHFFFAOYSA-N 1 0 329.784 2.545 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843810587 1109450128 /nfs/dbraw/zinc/45/01/28/1109450128.db2.gz YJHUBEORGDKKKU-ZDUSSCGKSA-N 1 0 337.395 2.846 20 5 EFBDRO C=C1[NH+]=C(SCC[N+](=O)[O-])N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000899877556 1109531482 /nfs/dbraw/zinc/53/14/82/1109531482.db2.gz ZYVPEOURNNEWLQ-AWEZNQCLSA-N 1 0 349.412 2.534 20 5 EFBDRO Cc1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000899911097 1109548396 /nfs/dbraw/zinc/54/83/96/1109548396.db2.gz NDLTZSLXGZWEPJ-UHFFFAOYSA-N 1 0 347.415 2.733 20 5 EFBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159486757 1109660623 /nfs/dbraw/zinc/66/06/23/1109660623.db2.gz CKWDCFPGCBGRAV-LLVKDONJSA-N 1 0 328.210 2.671 20 5 EFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159495289 1109665567 /nfs/dbraw/zinc/66/55/67/1109665567.db2.gz AAMREEGSIHZNJK-VHSXEESVSA-N 1 0 328.210 2.540 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CCC3(CC[NH2+]C3)CC2)n1 ZINC001212126517 1110118007 /nfs/dbraw/zinc/11/80/07/1110118007.db2.gz JDXDALQLEZQLAG-UHFFFAOYSA-N 1 0 347.350 2.816 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000153175833 1111159275 /nfs/dbraw/zinc/15/92/75/1111159275.db2.gz JTCYNIVFHRZAFH-CYBMUJFWSA-N 1 0 337.395 2.750 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C[NH+](CC)CC ZINC001106775903 1111822610 /nfs/dbraw/zinc/82/26/10/1111822610.db2.gz LDRDPGJQJHJRLP-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C[NH+](CC)CC ZINC001106775978 1111822725 /nfs/dbraw/zinc/82/27/25/1111822725.db2.gz PMCDTMJBGJVPBN-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001106789484 1111838074 /nfs/dbraw/zinc/83/80/74/1111838074.db2.gz PPAZICIIAKKNOT-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)[N@H+](C)CC ZINC001106877941 1111945408 /nfs/dbraw/zinc/94/54/08/1111945408.db2.gz URXTUDYZXYVRHQ-UHFFFAOYSA-N 1 0 336.436 2.586 20 5 EFBDRO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[N@H+](C)CC ZINC001106877612 1111947518 /nfs/dbraw/zinc/94/75/18/1111947518.db2.gz KPUFHPOLSQLSRV-UHFFFAOYSA-N 1 0 336.436 2.586 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370502203 282127254 /nfs/dbraw/zinc/12/72/54/282127254.db2.gz AVGJBDLCBBDWKP-CYBMUJFWSA-N 1 0 341.367 2.564 20 5 EFBDRO COc1ccc(OCCN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000173621196 230985806 /nfs/dbraw/zinc/98/58/06/230985806.db2.gz YWHZCAFYVHRJAE-HNNXBMFYSA-N 1 0 349.431 2.542 20 5 EFBDRO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055748528 214340243 /nfs/dbraw/zinc/34/02/43/214340243.db2.gz SYJSCJPMOSPWHZ-MGPQQGTHSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055749942 214340319 /nfs/dbraw/zinc/34/03/19/214340319.db2.gz XFZANVFTLJAGIJ-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000174528336 231231463 /nfs/dbraw/zinc/23/14/63/231231463.db2.gz WXQRTSISYBTEIL-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000174841391 231322386 /nfs/dbraw/zinc/32/23/86/231322386.db2.gz HTAWUTPOUSSJEY-NSHDSACASA-N 1 0 326.780 2.833 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000188044559 295680561 /nfs/dbraw/zinc/68/05/61/295680561.db2.gz UGAKUVLSXXXZGG-LBPRGKRZSA-N 1 0 337.445 2.921 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174277358 529599924 /nfs/dbraw/zinc/59/99/24/529599924.db2.gz NVMZSMSFGWWEPR-AWEZNQCLSA-N 1 0 331.416 2.715 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000171752108 282228336 /nfs/dbraw/zinc/22/83/36/282228336.db2.gz UKHIOLJMTHFCSE-CYBMUJFWSA-N 1 0 331.397 2.789 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000164127660 529799572 /nfs/dbraw/zinc/79/95/72/529799572.db2.gz BVYPDPJRWMZDRQ-TZMCWYRMSA-N 1 0 337.807 2.805 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155209317 529948554 /nfs/dbraw/zinc/94/85/54/529948554.db2.gz IUGQZJKBUGPAFN-CYBMUJFWSA-N 1 0 342.399 2.557 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@@H]21 ZINC000152763562 530064566 /nfs/dbraw/zinc/06/45/66/530064566.db2.gz PAYRCDYLLCULJE-JSGCOSHPSA-N 1 0 337.807 2.805 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000132173248 530048998 /nfs/dbraw/zinc/04/89/98/530048998.db2.gz NTCQEPFIWRXAIT-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000154775940 530058250 /nfs/dbraw/zinc/05/82/50/530058250.db2.gz KIOFMOMCWWCSBB-USQNJUIBSA-N 1 0 329.400 2.551 20 5 EFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178147733 232095361 /nfs/dbraw/zinc/09/53/61/232095361.db2.gz XVKWDZINGSQJMG-INIZCTEOSA-N 1 0 345.443 2.908 20 5 EFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912167 219172551 /nfs/dbraw/zinc/17/25/51/219172551.db2.gz XWTLFPIQQXGFGD-OAHLLOKOSA-N 1 0 349.431 2.602 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000103453179 219302128 /nfs/dbraw/zinc/30/21/28/219302128.db2.gz VZVKIAOPSNRGOE-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000179707922 233350630 /nfs/dbraw/zinc/35/06/30/233350630.db2.gz YWOJTTZNICAKFS-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000068937311 215346451 /nfs/dbraw/zinc/34/64/51/215346451.db2.gz NKUPZQXLTVNQLV-CHWSQXEVSA-N 1 0 337.395 2.832 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713364 213373704 /nfs/dbraw/zinc/37/37/04/213373704.db2.gz ZLNSUJUQRCWWGJ-JTQLQIEISA-N 1 0 329.198 2.649 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000181457195 234193157 /nfs/dbraw/zinc/19/31/57/234193157.db2.gz LOMGWYQIJSZYTI-OAHLLOKOSA-N 1 0 337.420 2.619 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000181642907 234264453 /nfs/dbraw/zinc/26/44/53/234264453.db2.gz BOOAMFKYYFRZGR-SJORKVTESA-N 1 0 342.395 2.824 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181675120 234279689 /nfs/dbraw/zinc/27/96/89/234279689.db2.gz KCBQLKQTMIDOJK-DZGCQCFKSA-N 1 0 331.416 2.978 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC000181860634 234356229 /nfs/dbraw/zinc/35/62/29/234356229.db2.gz RZJCJZRBIGYPQR-QGZVFWFLSA-N 1 0 342.395 2.783 20 5 EFBDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127726790 222875094 /nfs/dbraw/zinc/87/50/94/222875094.db2.gz HPDRYTAWCUEOCF-QGZVFWFLSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183330108 235010382 /nfs/dbraw/zinc/01/03/82/235010382.db2.gz IYRKXAWZEBSQKL-LBPRGKRZSA-N 1 0 345.403 2.625 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342954406 283093986 /nfs/dbraw/zinc/09/39/86/283093986.db2.gz BSKQZGCOKSBVTR-SWLSCSKDSA-N 1 0 342.399 2.632 20 5 EFBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000184330655 235369024 /nfs/dbraw/zinc/36/90/24/235369024.db2.gz WAMSLNONFJOOTM-QGZVFWFLSA-N 1 0 342.399 2.518 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc2ccccc2s1 ZINC000184354202 235375471 /nfs/dbraw/zinc/37/54/71/235375471.db2.gz LOKYNROOMIWJTF-RISCZKNCSA-N 1 0 346.412 2.718 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000359783425 283180933 /nfs/dbraw/zinc/18/09/33/283180933.db2.gz HRWAMJSBQKGCFD-ZDUSSCGKSA-N 1 0 339.461 2.924 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187278641 236166370 /nfs/dbraw/zinc/16/63/70/236166370.db2.gz GKHSXYFPAPAPCU-ZIAGYGMSSA-N 1 0 348.447 2.665 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000187360772 236189613 /nfs/dbraw/zinc/18/96/13/236189613.db2.gz ULUUAJKFMJQILG-OLZOCXBDSA-N 1 0 340.445 2.767 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000345828289 283405158 /nfs/dbraw/zinc/40/51/58/283405158.db2.gz IYIWRSIVVMEIRC-HIFRSBDPSA-N 1 0 343.383 2.859 20 5 EFBDRO CC1CCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000072510450 216265347 /nfs/dbraw/zinc/26/53/47/216265347.db2.gz PAOFRJOEOKLPPE-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO [NH3+]Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000131079717 223203354 /nfs/dbraw/zinc/20/33/54/223203354.db2.gz AQRGUSKGLDCPIK-UHFFFAOYSA-N 1 0 340.383 2.906 20 5 EFBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072901604 216326404 /nfs/dbraw/zinc/32/64/04/216326404.db2.gz FMTWPUJDJOCLDV-LBPRGKRZSA-N 1 0 325.434 2.997 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072977246 216335813 /nfs/dbraw/zinc/33/58/13/216335813.db2.gz AOXMSBWTKNAXAX-ZDUSSCGKSA-N 1 0 336.388 2.710 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000025810776 212498915 /nfs/dbraw/zinc/49/89/15/212498915.db2.gz WTHARSZGOSMXQV-HNNXBMFYSA-N 1 0 333.413 2.618 20 5 EFBDRO Cc1ccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000073052211 216344620 /nfs/dbraw/zinc/34/46/20/216344620.db2.gz YAGHGKKLCADKJS-KRWDZBQOSA-N 1 0 345.399 2.659 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159482439 239028330 /nfs/dbraw/zinc/02/83/30/239028330.db2.gz DTMWCODRMABUAV-HNNXBMFYSA-N 1 0 347.440 2.926 20 5 EFBDRO C[C@@H]1CN(CC[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193398690 240105030 /nfs/dbraw/zinc/10/50/30/240105030.db2.gz OWIVZQIPAPMOTL-JNIGEABNSA-N 1 0 333.432 2.649 20 5 EFBDRO COc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195421560 240223746 /nfs/dbraw/zinc/22/37/46/240223746.db2.gz KZVXVZZJDBADQL-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193747378 240291813 /nfs/dbraw/zinc/29/18/13/240291813.db2.gz QPKYMVXUPNKZBI-UHFFFAOYSA-N 1 0 339.348 2.524 20 5 EFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193822030 240323042 /nfs/dbraw/zinc/32/30/42/240323042.db2.gz WGXRADDTDFNNDC-UHFFFAOYSA-N 1 0 348.447 2.699 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000132898517 223371863 /nfs/dbraw/zinc/37/18/63/223371863.db2.gz HGQVRMXGDUEDFW-SJORKVTESA-N 1 0 337.395 2.914 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363752172 299370683 /nfs/dbraw/zinc/37/06/83/299370683.db2.gz QYUOEVQUAOKHGC-BMGDILEWSA-N 1 0 333.432 2.889 20 5 EFBDRO COC[C@@]1(CNC(=O)c2cc3ccccc3c3cccnc23)CCC[NH2+]1 ZINC000357253626 242093101 /nfs/dbraw/zinc/09/31/01/242093101.db2.gz CLAVDOUMMKVHLC-NRFANRHFSA-N 1 0 349.434 2.886 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000358351806 299374108 /nfs/dbraw/zinc/37/41/08/299374108.db2.gz LHTAKXAPKYAPNN-CMPLNLGQSA-N 1 0 345.321 2.799 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230689302 242262070 /nfs/dbraw/zinc/26/20/70/242262070.db2.gz DNNYOXCUHXLCOT-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000235519419 242282520 /nfs/dbraw/zinc/28/25/20/242282520.db2.gz PIWUMUFJCUJFLM-IUCAKERBSA-N 1 0 329.198 2.552 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236774188 242353407 /nfs/dbraw/zinc/35/34/07/242353407.db2.gz WYPVHYUOQINFST-NSHDSACASA-N 1 0 325.434 2.709 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000236834824 242376468 /nfs/dbraw/zinc/37/64/68/242376468.db2.gz ONFXSNJEORLJLX-NEPJUHHUSA-N 1 0 325.434 2.709 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411290571 242779476 /nfs/dbraw/zinc/77/94/76/242779476.db2.gz JADOPBLZKSZSDT-JKSUJKDBSA-N 1 0 335.404 2.549 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000411576358 242876553 /nfs/dbraw/zinc/87/65/53/242876553.db2.gz YTJKSBZZQVSWPX-IUODEOHRSA-N 1 0 333.388 2.806 20 5 EFBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000238050651 242913463 /nfs/dbraw/zinc/91/34/63/242913463.db2.gz QFCFIUWDVOCZOQ-OAHLLOKOSA-N 1 0 340.383 2.902 20 5 EFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411724653 242943025 /nfs/dbraw/zinc/94/30/25/242943025.db2.gz YXHWRCCVEBRXNS-WMLDXEAASA-N 1 0 349.431 2.939 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411919675 243027153 /nfs/dbraw/zinc/02/71/53/243027153.db2.gz BIPLAZXHQOWPJB-WBVHZDCISA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000412002514 243066589 /nfs/dbraw/zinc/06/65/89/243066589.db2.gz UKKYJVJWNDQVCE-KRWDZBQOSA-N 1 0 342.399 2.645 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411943021 243036182 /nfs/dbraw/zinc/03/61/82/243036182.db2.gz MLMJDRPXTDTTGO-SJLPKXTDSA-N 1 0 328.368 2.782 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951236 243040690 /nfs/dbraw/zinc/04/06/90/243040690.db2.gz PUQCRDXSCXCEAM-DIFFPNOSSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411964053 243046174 /nfs/dbraw/zinc/04/61/74/243046174.db2.gz CWVIFVLJMIHNDD-SJCJKPOMSA-N 1 0 335.404 2.717 20 5 EFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972837 243050790 /nfs/dbraw/zinc/05/07/90/243050790.db2.gz QRQPJWHFECHTJS-APPDUMDISA-N 1 0 346.387 2.938 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000411974381 243051207 /nfs/dbraw/zinc/05/12/07/243051207.db2.gz YKJQZLQKTYNZRF-LJQANCHMSA-N 1 0 339.395 2.532 20 5 EFBDRO CC[N@@H+](Cc1occc1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412029633 243081688 /nfs/dbraw/zinc/08/16/88/243081688.db2.gz UYLRCKRGXYKCEC-AWEZNQCLSA-N 1 0 334.372 2.758 20 5 EFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000412064113 243109739 /nfs/dbraw/zinc/10/97/39/243109739.db2.gz BTCSIAGKINJLLZ-HIFRSBDPSA-N 1 0 345.399 2.885 20 5 EFBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000412018786 243071484 /nfs/dbraw/zinc/07/14/84/243071484.db2.gz CIJMGIAYBBHHBQ-JTQLQIEISA-N 1 0 341.795 2.734 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000245517213 243121564 /nfs/dbraw/zinc/12/15/64/243121564.db2.gz GWEQRNSGQZEIMN-HOTGVXAUSA-N 1 0 333.432 2.618 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000412220978 243210173 /nfs/dbraw/zinc/21/01/73/243210173.db2.gz AZDRWVSYYNHCKR-MGBSGCIJSA-N 1 0 331.416 2.639 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412145253 243167839 /nfs/dbraw/zinc/16/78/39/243167839.db2.gz CUCGQFPYFDUAGP-HNNXBMFYSA-N 1 0 349.431 2.938 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000412189188 243192141 /nfs/dbraw/zinc/19/21/41/243192141.db2.gz CTEUOFMNOVASAS-OWLYRPNTSA-N 1 0 343.427 2.641 20 5 EFBDRO CNc1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000412317047 243264605 /nfs/dbraw/zinc/26/46/05/243264605.db2.gz WWSJULKESLFLDY-UHFFFAOYSA-N 1 0 346.431 2.585 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000412234811 243219510 /nfs/dbraw/zinc/21/95/10/243219510.db2.gz QJFFWSILOKBMQC-UONOGXRCSA-N 1 0 349.431 2.937 20 5 EFBDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246323747 243229633 /nfs/dbraw/zinc/22/96/33/243229633.db2.gz HENYGPRYXGBPHI-ZIAGYGMSSA-N 1 0 335.404 2.670 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246638345 243282987 /nfs/dbraw/zinc/28/29/87/243282987.db2.gz FLRLWXYIWZIADC-ZNMIVQPWSA-N 1 0 333.432 2.620 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412423585 243308162 /nfs/dbraw/zinc/30/81/62/243308162.db2.gz UAVPBMZSZIGBJK-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000247011485 243352193 /nfs/dbraw/zinc/35/21/93/243352193.db2.gz PTCQKBBGYCXLOP-ZIAGYGMSSA-N 1 0 335.404 2.914 20 5 EFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]12 ZINC000248615917 243594317 /nfs/dbraw/zinc/59/43/17/243594317.db2.gz LVSHNRXXSQYADL-TVYUQYBPSA-N 1 0 331.397 2.619 20 5 EFBDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000414101603 244007200 /nfs/dbraw/zinc/00/72/00/244007200.db2.gz MEXOAHWSTZCAMM-SNVBAGLBSA-N 1 0 335.385 2.731 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414163017 244027630 /nfs/dbraw/zinc/02/76/30/244027630.db2.gz FLCZCBWDPNOMLL-MKBNYLNASA-N 1 0 335.404 2.633 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414281256 244072784 /nfs/dbraw/zinc/07/27/84/244072784.db2.gz MIXWMIBQGAPXCD-MQYQWHSLSA-N 1 0 335.404 2.715 20 5 EFBDRO COC1([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414319053 244088479 /nfs/dbraw/zinc/08/84/79/244088479.db2.gz RACLGOXRPKFPMZ-CHWSQXEVSA-N 1 0 335.404 2.859 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414453992 244170893 /nfs/dbraw/zinc/17/08/93/244170893.db2.gz CIHZNWGAGUDJLO-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1 ZINC000414481269 244189749 /nfs/dbraw/zinc/18/97/49/244189749.db2.gz KCITVATVKFJRFR-LLVKDONJSA-N 1 0 331.397 2.549 20 5 EFBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CS1 ZINC000414500700 244195779 /nfs/dbraw/zinc/19/57/79/244195779.db2.gz MGUOMWJLOGLJKV-FZMZJTMJSA-N 1 0 332.429 2.979 20 5 EFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414502313 244201252 /nfs/dbraw/zinc/20/12/52/244201252.db2.gz UCGRSKSERBOFNX-ZDUSSCGKSA-N 1 0 343.383 2.765 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414520120 244208863 /nfs/dbraw/zinc/20/88/63/244208863.db2.gz UYOWBYJBYDGRQJ-IPYPFGDCSA-N 1 0 344.415 2.898 20 5 EFBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414540992 244220042 /nfs/dbraw/zinc/22/00/42/244220042.db2.gz IFWZUZVQAKPFEP-UHFFFAOYSA-N 1 0 328.434 2.633 20 5 EFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000414564395 244236555 /nfs/dbraw/zinc/23/65/55/244236555.db2.gz DRVLNBHVEDTZRH-VURMDHGXSA-N 1 0 333.432 2.651 20 5 EFBDRO [NH3+]C1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000414629951 244261711 /nfs/dbraw/zinc/26/17/11/244261711.db2.gz RRBFQJLBHVOZKA-UHFFFAOYSA-N 1 0 340.286 2.974 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414655782 244276405 /nfs/dbraw/zinc/27/64/05/244276405.db2.gz HJUYIYNSTQKIJY-CJNGLKHVSA-N 1 0 332.404 2.981 20 5 EFBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414771832 244338884 /nfs/dbraw/zinc/33/88/84/244338884.db2.gz SAOQGMWVRFOVHY-KRWDZBQOSA-N 1 0 333.363 2.988 20 5 EFBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414764877 244333269 /nfs/dbraw/zinc/33/32/69/244333269.db2.gz DUYGPAQHJXVZOX-KRWDZBQOSA-N 1 0 333.363 2.988 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945363 244399091 /nfs/dbraw/zinc/39/90/91/244399091.db2.gz IDYCZVFNPLXFFS-AWEZNQCLSA-N 1 0 346.334 2.691 20 5 EFBDRO COC[C@@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]1 ZINC000414944185 244399149 /nfs/dbraw/zinc/39/91/49/244399149.db2.gz NRFOETPYGYCCBI-SFHVURJKSA-N 1 0 345.399 2.713 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414942863 244399234 /nfs/dbraw/zinc/39/92/34/244399234.db2.gz DRKUFUQWLQGTQV-DTWKUNHWSA-N 1 0 344.318 2.588 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415589947 244438798 /nfs/dbraw/zinc/43/87/98/244438798.db2.gz ZJWWTMGUHRPDER-MGPQQGTHSA-N 1 0 332.404 2.721 20 5 EFBDRO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261631602 244614600 /nfs/dbraw/zinc/61/46/00/244614600.db2.gz DXKILLMWNXMQCC-SJORKVTESA-N 1 0 339.395 2.718 20 5 EFBDRO C[NH2+]CCC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000262097266 244802539 /nfs/dbraw/zinc/80/25/39/244802539.db2.gz SKHMQOBYJWIVML-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000417128853 245035211 /nfs/dbraw/zinc/03/52/11/245035211.db2.gz JLFKEVDKMFJVCO-GFCCVEGCSA-N 1 0 340.383 2.758 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000262564071 245036431 /nfs/dbraw/zinc/03/64/31/245036431.db2.gz BFHSWYJDNIEZLR-AGIUHOORSA-N 1 0 337.445 2.661 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000262564076 245037476 /nfs/dbraw/zinc/03/74/76/245037476.db2.gz BFHSWYJDNIEZLR-RWMBFGLXSA-N 1 0 337.445 2.661 20 5 EFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000417706769 245087807 /nfs/dbraw/zinc/08/78/07/245087807.db2.gz ABEXAHGJUDOJEU-MRXNPFEDSA-N 1 0 348.447 2.749 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418312146 245118062 /nfs/dbraw/zinc/11/80/62/245118062.db2.gz NHAMFWVTMFRPAK-CHWSQXEVSA-N 1 0 334.420 2.517 20 5 EFBDRO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000262653459 245096747 /nfs/dbraw/zinc/09/67/47/245096747.db2.gz WHXCVYSXLQXWTQ-SJCJKPOMSA-N 1 0 325.368 2.820 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418121917 245112882 /nfs/dbraw/zinc/11/28/82/245112882.db2.gz JFEXONKATDNOEC-AVGNSLFASA-N 1 0 336.388 2.623 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262792554 245180749 /nfs/dbraw/zinc/18/07/49/245180749.db2.gz DGRJEAWPXCSDKA-ZYHUDNBSSA-N 1 0 346.412 2.589 20 5 EFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262745170 245157949 /nfs/dbraw/zinc/15/79/49/245157949.db2.gz FSOYJVUJEVOTDG-WDEREUQCSA-N 1 0 346.412 2.541 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000418574870 245199166 /nfs/dbraw/zinc/19/91/66/245199166.db2.gz WCBFNIQXUVGIJC-KGLIPLIRSA-N 1 0 332.404 2.539 20 5 EFBDRO CC(C)(NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418718680 245258365 /nfs/dbraw/zinc/25/83/65/245258365.db2.gz DPDBSHXSLXXELT-OCCSQVGLSA-N 1 0 334.420 2.647 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000418725308 245261949 /nfs/dbraw/zinc/26/19/49/245261949.db2.gz OXAFGVSRSQDVDK-DZGCQCFKSA-N 1 0 346.431 2.786 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000418735852 245266622 /nfs/dbraw/zinc/26/66/22/245266622.db2.gz WUNRIZHMDSTCSM-ZFWWWQNUSA-N 1 0 346.431 2.786 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418797074 245295640 /nfs/dbraw/zinc/29/56/40/245295640.db2.gz UOTPCLLKKYVPRL-HUUCEWRRSA-N 1 0 334.420 2.642 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C2CC2)cc1 ZINC000419337200 245385527 /nfs/dbraw/zinc/38/55/27/245385527.db2.gz KTSUHZSWTGHNRH-CYBMUJFWSA-N 1 0 327.384 2.985 20 5 EFBDRO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)[C@H]1C ZINC000419373410 245395052 /nfs/dbraw/zinc/39/50/52/245395052.db2.gz ODDPDICFLBYHMY-AGIUHOORSA-N 1 0 333.388 2.869 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000078398491 217047564 /nfs/dbraw/zinc/04/75/64/217047564.db2.gz AJFZARQJXNALMG-CABCVRRESA-N 1 0 349.431 2.661 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079337970 217211230 /nfs/dbraw/zinc/21/12/30/217211230.db2.gz XURAJPRPFQPIRT-NSHDSACASA-N 1 0 345.321 2.828 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080054238 217275948 /nfs/dbraw/zinc/27/59/48/217275948.db2.gz KVXSPMJEQLYUHN-CQSZACIVSA-N 1 0 334.420 2.639 20 5 EFBDRO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080054237 217275958 /nfs/dbraw/zinc/27/59/58/217275958.db2.gz KVXSPMJEQLYUHN-AWEZNQCLSA-N 1 0 334.420 2.639 20 5 EFBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000111404198 220151424 /nfs/dbraw/zinc/15/14/24/220151424.db2.gz UZMZYILHEZGZIY-QGZVFWFLSA-N 1 0 346.431 2.882 20 5 EFBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000136517313 223651326 /nfs/dbraw/zinc/65/13/26/223651326.db2.gz ZNRQAOOPIVXQCQ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000421679830 246060750 /nfs/dbraw/zinc/06/07/50/246060750.db2.gz ODKQUPKRYHTNPZ-UHFFFAOYSA-N 1 0 342.399 2.746 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000421709389 246076609 /nfs/dbraw/zinc/07/66/09/246076609.db2.gz DYSNTSDSPFDCDQ-LBPRGKRZSA-N 1 0 345.321 2.780 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264194163 246166407 /nfs/dbraw/zinc/16/64/07/246166407.db2.gz GLYICUIPVUVLMQ-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000264206946 246184645 /nfs/dbraw/zinc/18/46/45/246184645.db2.gz RHAGKUWMUFUQAS-CQSZACIVSA-N 1 0 343.358 2.822 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000422008788 246214846 /nfs/dbraw/zinc/21/48/46/246214846.db2.gz PUIGPNSKGVQSDK-UHFFFAOYSA-N 1 0 330.388 2.679 20 5 EFBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000264300170 246316359 /nfs/dbraw/zinc/31/63/59/246316359.db2.gz LSEIAKIIYIQCIT-LLVKDONJSA-N 1 0 330.392 2.508 20 5 EFBDRO COc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000422865975 246494021 /nfs/dbraw/zinc/49/40/21/246494021.db2.gz ZQRPWVYRCJXDNR-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264869262 246989583 /nfs/dbraw/zinc/98/95/83/246989583.db2.gz GLCCTMCNARYWHT-UHFFFAOYSA-N 1 0 339.461 2.925 20 5 EFBDRO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000425490868 247105761 /nfs/dbraw/zinc/10/57/61/247105761.db2.gz ZICQMEYOHPEXGA-PHIMTYICSA-N 1 0 342.237 2.882 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000425417782 247078054 /nfs/dbraw/zinc/07/80/54/247078054.db2.gz IHOFAJUTZATDQW-BXUZGUMPSA-N 1 0 343.221 2.950 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000264953847 247081765 /nfs/dbraw/zinc/08/17/65/247081765.db2.gz VXLAFYZAWJCFKH-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444133 247088567 /nfs/dbraw/zinc/08/85/67/247088567.db2.gz LVDDHNQQWCVKDO-UONOGXRCSA-N 1 0 343.221 2.998 20 5 EFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444127 247088956 /nfs/dbraw/zinc/08/89/56/247088956.db2.gz LVDDHNQQWCVKDO-KBPBESRZSA-N 1 0 343.221 2.998 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000425468844 247095942 /nfs/dbraw/zinc/09/59/42/247095942.db2.gz DAALANKSJKDZQR-GXFFZTMASA-N 1 0 343.221 2.998 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264997031 247122247 /nfs/dbraw/zinc/12/22/47/247122247.db2.gz CYDKYLPNYNNHIF-ZIAGYGMSSA-N 1 0 334.420 2.650 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425667854 247162066 /nfs/dbraw/zinc/16/20/66/247162066.db2.gz HAUDZDNFZVSMPC-XJKSGUPXSA-N 1 0 332.404 2.770 20 5 EFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265051190 247162556 /nfs/dbraw/zinc/16/25/56/247162556.db2.gz PZUUVFLUVUGIOT-SJORKVTESA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(F)(F)C1 ZINC000425929525 247215419 /nfs/dbraw/zinc/21/54/19/247215419.db2.gz UTUDMGHZROAJSO-SNVBAGLBSA-N 1 0 327.331 2.947 20 5 EFBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426473938 247285000 /nfs/dbraw/zinc/28/50/00/247285000.db2.gz ZAJPZAALOQARBI-DOMZBBRYSA-N 1 0 333.388 2.806 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426475887 247285565 /nfs/dbraw/zinc/28/55/65/247285565.db2.gz ZWYGDGBMAOBGIP-OCCSQVGLSA-N 1 0 331.372 2.767 20 5 EFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000427179956 247326492 /nfs/dbraw/zinc/32/64/92/247326492.db2.gz WSRYNNQVBWYQGV-NVXWUHKLSA-N 1 0 334.416 2.845 20 5 EFBDRO Cc1ccnc(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000265255103 247343304 /nfs/dbraw/zinc/34/33/04/247343304.db2.gz RPOFSNTVZQBCPU-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@H+](C)C(C)C ZINC000427382820 247344390 /nfs/dbraw/zinc/34/43/90/247344390.db2.gz GDLWVQSQKREVOM-UHFFFAOYSA-N 1 0 327.356 2.663 20 5 EFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(C2CC[NH+](C)CC2)n1 ZINC000430452974 247785805 /nfs/dbraw/zinc/78/58/05/247785805.db2.gz CXTGJBOURDYCCO-UHFFFAOYSA-N 1 0 349.416 2.680 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000430633196 247816992 /nfs/dbraw/zinc/81/69/92/247816992.db2.gz ZCOZZZVVTDQBTL-CQSZACIVSA-N 1 0 337.445 2.825 20 5 EFBDRO CCn1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1=O ZINC000433065254 248010201 /nfs/dbraw/zinc/01/02/01/248010201.db2.gz DJVPHLUAVYIFGP-KRWDZBQOSA-N 1 0 341.411 2.887 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433184831 248024872 /nfs/dbraw/zinc/02/48/72/248024872.db2.gz XYXMANJVFAWWJK-ZDUSSCGKSA-N 1 0 330.837 2.938 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000266085437 248085979 /nfs/dbraw/zinc/08/59/79/248085979.db2.gz YMZOCNBUHSJFBE-INIZCTEOSA-N 1 0 335.448 2.965 20 5 EFBDRO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000266047792 248061610 /nfs/dbraw/zinc/06/16/10/248061610.db2.gz FKXOBBPIROENKJ-NWDGAFQWSA-N 1 0 330.388 2.631 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000433905064 248101119 /nfs/dbraw/zinc/10/11/19/248101119.db2.gz BDCRMMJKLCZRJB-INIZCTEOSA-N 1 0 346.431 2.719 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266189058 248158908 /nfs/dbraw/zinc/15/89/08/248158908.db2.gz BOTPTMYPYPWSSA-ZDUSSCGKSA-N 1 0 348.403 2.838 20 5 EFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000433929274 248103985 /nfs/dbraw/zinc/10/39/85/248103985.db2.gz FOWOWQQUOXRIQF-DLBZAZTESA-N 1 0 348.378 2.960 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000266111737 248105027 /nfs/dbraw/zinc/10/50/27/248105027.db2.gz VCHJAULSAPCMAU-DOMZBBRYSA-N 1 0 344.415 2.878 20 5 EFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1CCOC(C)(C)C1 ZINC000435051458 248207682 /nfs/dbraw/zinc/20/76/82/248207682.db2.gz ZAEHWFUMOSKYCJ-SOFGYWHQSA-N 1 0 333.432 2.651 20 5 EFBDRO C[C@@H]1CN(CC[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000435057101 248208640 /nfs/dbraw/zinc/20/86/40/248208640.db2.gz OWIVZQIPAPMOTL-HMDCADFTSA-N 1 0 333.432 2.649 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN(C3CC3)[C@H]3CC[NH2+]C3)o2)c1 ZINC000435240892 248221597 /nfs/dbraw/zinc/22/15/97/248221597.db2.gz CLZVQVSYIYMBHN-INIZCTEOSA-N 1 0 342.399 2.619 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000266296140 248231201 /nfs/dbraw/zinc/23/12/01/248231201.db2.gz XPEGYRIMOUFOPC-ZDUSSCGKSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000435378966 248231836 /nfs/dbraw/zinc/23/18/36/248231836.db2.gz HGFGOSLPQIYQRV-TXEJJXNPSA-N 1 0 332.429 2.901 20 5 EFBDRO Cc1ncsc1CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000435429807 248240218 /nfs/dbraw/zinc/24/02/18/248240218.db2.gz ZRDJEFPYWQKFRF-OAHLLOKOSA-N 1 0 346.456 2.971 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266323642 248248110 /nfs/dbraw/zinc/24/81/10/248248110.db2.gz UHCSHGIBIXDFPF-HNNXBMFYSA-N 1 0 349.431 2.554 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000266220882 248183329 /nfs/dbraw/zinc/18/33/29/248183329.db2.gz BXYNGPDGJHOZLH-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545412 217811330 /nfs/dbraw/zinc/81/13/30/217811330.db2.gz MRMNBWLTOVLTEM-ZDUSSCGKSA-N 1 0 327.384 2.895 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266527352 248346066 /nfs/dbraw/zinc/34/60/66/248346066.db2.gz IRBIWUBPAASFCH-UHFFFAOYSA-N 1 0 348.447 2.559 20 5 EFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000266538291 248350804 /nfs/dbraw/zinc/35/08/04/248350804.db2.gz PCGQIRVZFFRTJJ-AEFFLSMTSA-N 1 0 344.415 2.606 20 5 EFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000266538296 248350914 /nfs/dbraw/zinc/35/09/14/248350914.db2.gz PCGQIRVZFFRTJJ-FUHWJXTLSA-N 1 0 344.415 2.606 20 5 EFBDRO CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000266623563 248388188 /nfs/dbraw/zinc/38/81/88/248388188.db2.gz MGCBRUZQODEVPE-UHFFFAOYSA-N 1 0 338.404 2.908 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347944043 284674456 /nfs/dbraw/zinc/67/44/56/284674456.db2.gz PJTXDJIXSQHSHN-VXGBXAGGSA-N 1 0 325.384 2.684 20 5 EFBDRO CCc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000437642652 249696241 /nfs/dbraw/zinc/69/62/41/249696241.db2.gz SFCBASONEWNOPI-ZWKOTPCHSA-N 1 0 346.431 2.702 20 5 EFBDRO COc1ccc(C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000441212289 250009057 /nfs/dbraw/zinc/00/90/57/250009057.db2.gz SLVGHDCJIVFAKT-UHFFFAOYSA-N 1 0 341.367 2.630 20 5 EFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093419175 218224360 /nfs/dbraw/zinc/22/43/60/218224360.db2.gz SLKFRDJEOFOIJA-CYBMUJFWSA-N 1 0 338.404 2.861 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000093434288 218225748 /nfs/dbraw/zinc/22/57/48/218225748.db2.gz DAALGEHSFHGELJ-BDAKNGLRSA-N 1 0 329.198 2.552 20 5 EFBDRO COC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093337376 218215589 /nfs/dbraw/zinc/21/55/89/218215589.db2.gz SGEXOPSGGVGZQR-CQSZACIVSA-N 1 0 344.415 2.854 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000443641850 250214480 /nfs/dbraw/zinc/21/44/80/250214480.db2.gz MOPUIDIMPCYNDH-KBPBESRZSA-N 1 0 331.416 2.852 20 5 EFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)C1 ZINC000443641852 250215175 /nfs/dbraw/zinc/21/51/75/250215175.db2.gz MOPUIDIMPCYNDH-UONOGXRCSA-N 1 0 331.416 2.852 20 5 EFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000443515351 250203179 /nfs/dbraw/zinc/20/31/79/250203179.db2.gz BZQXZFGFNDYNER-OAHLLOKOSA-N 1 0 346.456 2.968 20 5 EFBDRO NC(=O)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151825047 223870786 /nfs/dbraw/zinc/87/07/86/223870786.db2.gz IEJDJXMWQZIDSQ-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC[N@@H+]1C ZINC000444302941 250284767 /nfs/dbraw/zinc/28/47/67/250284767.db2.gz SKYSELMNQHYDNC-DYVFJYSZSA-N 1 0 349.434 2.894 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000444640161 250322450 /nfs/dbraw/zinc/32/24/50/250322450.db2.gz NHJSYFDIZZHEMH-AWEZNQCLSA-N 1 0 343.431 2.921 20 5 EFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000444764538 250341964 /nfs/dbraw/zinc/34/19/64/250341964.db2.gz YPKJTELCRSSMET-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000094081052 218263519 /nfs/dbraw/zinc/26/35/19/218263519.db2.gz NBBIKHLNSGILGA-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444736995 250338126 /nfs/dbraw/zinc/33/81/26/250338126.db2.gz OFJCIUNIPSYSPT-OAHLLOKOSA-N 1 0 348.374 2.914 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000446421051 250498562 /nfs/dbraw/zinc/49/85/62/250498562.db2.gz NMHSTLRHZUJMJD-UHFFFAOYSA-N 1 0 337.807 2.938 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449097043 250914920 /nfs/dbraw/zinc/91/49/20/250914920.db2.gz KMXHRCHVIWAPDS-WBVHZDCISA-N 1 0 344.411 2.864 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000449093116 250912037 /nfs/dbraw/zinc/91/20/37/250912037.db2.gz VLLURQQJSPSJSD-OAHLLOKOSA-N 1 0 341.411 2.774 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267295012 250917241 /nfs/dbraw/zinc/91/72/41/250917241.db2.gz ZANUPDSQNHJGAS-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000449198424 250949693 /nfs/dbraw/zinc/94/96/93/250949693.db2.gz BMXIPVWVDULVIP-QWHCGFSZSA-N 1 0 349.456 2.778 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000267322490 250944458 /nfs/dbraw/zinc/94/44/58/250944458.db2.gz WFCKOFYTAWIEBZ-NEPJUHHUSA-N 1 0 330.388 2.679 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]CC2=CCCCC2)cc1[N+](=O)[O-] ZINC000449378773 251003985 /nfs/dbraw/zinc/00/39/85/251003985.db2.gz XUURNVWDQAURQI-UHFFFAOYSA-N 1 0 334.372 2.737 20 5 EFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000449399124 251015317 /nfs/dbraw/zinc/01/53/17/251015317.db2.gz XRBDNZVZKSFWIE-INIZCTEOSA-N 1 0 335.448 2.655 20 5 EFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449453183 251030440 /nfs/dbraw/zinc/03/04/40/251030440.db2.gz HMIHXJNTLJSUFS-ACJLOTCBSA-N 1 0 346.383 2.996 20 5 EFBDRO CC[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000449480202 251040826 /nfs/dbraw/zinc/04/08/26/251040826.db2.gz XUVAETWZXSDQBP-KRWDZBQOSA-N 1 0 332.404 2.900 20 5 EFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449458005 251032856 /nfs/dbraw/zinc/03/28/56/251032856.db2.gz OSBIPEPKMLTYAZ-KSSFIOAISA-N 1 0 346.383 2.996 20 5 EFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449461902 251034817 /nfs/dbraw/zinc/03/48/17/251034817.db2.gz UHHYJOCNWNECIS-KSSFIOAISA-N 1 0 346.383 2.996 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000449473956 251037922 /nfs/dbraw/zinc/03/79/22/251037922.db2.gz IRAOBNCVTHYMFO-GFCCVEGCSA-N 1 0 336.388 2.748 20 5 EFBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000449520739 251050463 /nfs/dbraw/zinc/05/04/63/251050463.db2.gz STYMEGIKNVPSRV-CYBMUJFWSA-N 1 0 329.356 2.565 20 5 EFBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000449517251 251050781 /nfs/dbraw/zinc/05/07/81/251050781.db2.gz JNAHPOCJSWRFAT-LBPRGKRZSA-N 1 0 329.356 2.565 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449569088 251069184 /nfs/dbraw/zinc/06/91/84/251069184.db2.gz GDWVNVHNMIGBAL-TYNCELHUSA-N 1 0 343.387 2.804 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449569087 251069583 /nfs/dbraw/zinc/06/95/83/251069583.db2.gz GDWVNVHNMIGBAL-LALPHHSUSA-N 1 0 343.387 2.804 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449613161 251081521 /nfs/dbraw/zinc/08/15/21/251081521.db2.gz RDZGIOCYVIAOEW-NSHDSACASA-N 1 0 329.347 2.605 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449613160 251082064 /nfs/dbraw/zinc/08/20/64/251082064.db2.gz RDZGIOCYVIAOEW-LLVKDONJSA-N 1 0 329.347 2.605 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)C(C)(C)O ZINC000449720523 251129230 /nfs/dbraw/zinc/12/92/30/251129230.db2.gz ITHLYZLMAHTGFX-GFCCVEGCSA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3CO)cs2)c1 ZINC000449706618 251124695 /nfs/dbraw/zinc/12/46/95/251124695.db2.gz NWEVBLBBALLPTG-WFASDCNBSA-N 1 0 333.413 2.969 20 5 EFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449711159 251125472 /nfs/dbraw/zinc/12/54/72/251125472.db2.gz CVOHWYSIESSAFI-PWSUYJOCSA-N 1 0 346.412 2.576 20 5 EFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449747644 251141460 /nfs/dbraw/zinc/14/14/60/251141460.db2.gz JUGVZIJDLDKOIK-FZNQNYSPSA-N 1 0 327.384 2.976 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449754163 251143199 /nfs/dbraw/zinc/14/31/99/251143199.db2.gz KYYCRNQAJXCLDC-QZTJIDSGSA-N 1 0 340.379 2.983 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000267628454 251205862 /nfs/dbraw/zinc/20/58/62/251205862.db2.gz FMYFILWMZRUVJS-OCCSQVGLSA-N 1 0 342.399 2.775 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450223562 251305311 /nfs/dbraw/zinc/30/53/11/251305311.db2.gz NPDAWYGUIPYGNJ-AWEZNQCLSA-N 1 0 344.415 2.912 20 5 EFBDRO COC(=O)Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450246891 251313153 /nfs/dbraw/zinc/31/31/53/251313153.db2.gz VXSHAHMXPYCTKY-KRWDZBQOSA-N 1 0 349.431 2.843 20 5 EFBDRO Cc1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450291695 251330752 /nfs/dbraw/zinc/33/07/52/251330752.db2.gz YIJLTMVBXFASIY-MRXNPFEDSA-N 1 0 341.415 2.582 20 5 EFBDRO Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450217576 251303586 /nfs/dbraw/zinc/30/35/86/251303586.db2.gz UJRNTWLSIIFCAU-MRXNPFEDSA-N 1 0 327.388 2.942 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450326250 251347138 /nfs/dbraw/zinc/34/71/38/251347138.db2.gz GWSUSWDKQDDTLF-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451414587 251554534 /nfs/dbraw/zinc/55/45/34/251554534.db2.gz IJGYAAOCBMPIDY-BRWVUGGUSA-N 1 0 347.415 2.549 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268348705 251845467 /nfs/dbraw/zinc/84/54/67/251845467.db2.gz CRTMXCXJPAGUNL-HOCLYGCPSA-N 1 0 348.403 2.753 20 5 EFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000152926082 224033319 /nfs/dbraw/zinc/03/33/19/224033319.db2.gz PCOSQFACMHWONQ-SLEUVZQESA-N 1 0 346.387 2.941 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453330557 252034053 /nfs/dbraw/zinc/03/40/53/252034053.db2.gz DRKMLVPXDUCTIV-DXCKQFNASA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000453452445 252040195 /nfs/dbraw/zinc/04/01/95/252040195.db2.gz SGXWNFHEOIVZDG-FVQBIDKESA-N 1 0 331.416 2.659 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454552272 252306457 /nfs/dbraw/zinc/30/64/57/252306457.db2.gz TUWNOKTVIYOZHR-DZGCQCFKSA-N 1 0 346.431 2.972 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992133 291827597 /nfs/dbraw/zinc/82/75/97/291827597.db2.gz FVNWXJULXJTVNC-SFHVURJKSA-N 1 0 339.395 2.998 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000362360462 285109233 /nfs/dbraw/zinc/10/92/33/285109233.db2.gz UKXBQPLONXXCEC-AWEZNQCLSA-N 1 0 342.374 2.866 20 5 EFBDRO COCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000112353778 220310857 /nfs/dbraw/zinc/31/08/57/220310857.db2.gz ZRBNCGIGKSABNK-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO COCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000112353782 220311481 /nfs/dbraw/zinc/31/14/81/220311481.db2.gz NRYUQDWFPVJCBH-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO C[C@@H]1C[NH+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000153555941 224121240 /nfs/dbraw/zinc/12/12/40/224121240.db2.gz VAWHSJJFHOQYQG-GHMZBOCLSA-N 1 0 328.800 2.554 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153444957 224105730 /nfs/dbraw/zinc/10/57/30/224105730.db2.gz FZDXERQSNSVIMM-JSGCOSHPSA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@H]1C[NH+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000153555865 224121577 /nfs/dbraw/zinc/12/15/77/224121577.db2.gz VAWHSJJFHOQYQG-QWRGUYRKSA-N 1 0 328.800 2.554 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CCO)C1CCOCC1)CCC2 ZINC000447592342 285145771 /nfs/dbraw/zinc/14/57/71/285145771.db2.gz KXGKGKDSXDOABT-QZTJIDSGSA-N 1 0 334.416 2.739 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112560685 220349864 /nfs/dbraw/zinc/34/98/64/220349864.db2.gz YVJUJDHNVPANEW-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000112701007 220378408 /nfs/dbraw/zinc/37/84/08/220378408.db2.gz MFAISIRXHCHUPV-AWEZNQCLSA-N 1 0 333.432 2.969 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451296864 285154341 /nfs/dbraw/zinc/15/43/41/285154341.db2.gz BNBVFVNVKHRVCW-OZVIIMIRSA-N 1 0 340.807 2.610 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000072027701 299576919 /nfs/dbraw/zinc/57/69/19/299576919.db2.gz PZOBLWBFKNCFQP-LBPRGKRZSA-N 1 0 337.445 2.628 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338255311 285163609 /nfs/dbraw/zinc/16/36/09/285163609.db2.gz ZJFVHXWGDXJNHC-SFHVURJKSA-N 1 0 349.431 2.650 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CC)C2)cc1[N+](=O)[O-] ZINC000154265494 224228614 /nfs/dbraw/zinc/22/86/14/224228614.db2.gz ZWHWISMIWZZMLZ-JSGCOSHPSA-N 1 0 335.404 2.655 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154345335 224240535 /nfs/dbraw/zinc/24/05/35/224240535.db2.gz USJKNQCICVDYKR-WMZOPIPTSA-N 1 0 333.432 2.579 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC[C@H]21 ZINC000269056393 255521839 /nfs/dbraw/zinc/52/18/39/255521839.db2.gz SHURTDVXAPTXGO-SJKOYZFVSA-N 1 0 342.399 2.632 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000269259291 255554611 /nfs/dbraw/zinc/55/46/11/255554611.db2.gz QEEPLGPYINFIJE-YVEFUNNKSA-N 1 0 343.383 2.556 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000269140115 255534914 /nfs/dbraw/zinc/53/49/14/255534914.db2.gz YLOBSXFCWFEUEL-LKTVYLICSA-N 1 0 337.807 2.785 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116127019 220933265 /nfs/dbraw/zinc/93/32/65/220933265.db2.gz VNZZLZREVCAGDK-AWEZNQCLSA-N 1 0 325.384 2.830 20 5 EFBDRO Cc1c(CC(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000456687836 255655253 /nfs/dbraw/zinc/65/52/53/255655253.db2.gz XOYUHQGXOUDPKL-UHFFFAOYSA-N 1 0 331.416 2.579 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457036712 255672653 /nfs/dbraw/zinc/67/26/53/255672653.db2.gz AGOWUEAPEOKLKL-UHFFFAOYSA-N 1 0 339.823 2.781 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC000457372559 255690855 /nfs/dbraw/zinc/69/08/55/255690855.db2.gz JCQRJMDNQLUCOM-UHFFFAOYSA-N 1 0 337.445 2.825 20 5 EFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000459633498 255911552 /nfs/dbraw/zinc/91/15/52/255911552.db2.gz NCIOTYJQBHOVLK-DUVNUKRYSA-N 1 0 335.404 2.858 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459520758 255891677 /nfs/dbraw/zinc/89/16/77/255891677.db2.gz DWNBRJXFXAOGJQ-QGZVFWFLSA-N 1 0 344.415 2.675 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333360 221053375 /nfs/dbraw/zinc/05/33/75/221053375.db2.gz IBGRFAZZBBYQFB-BETUJISGSA-N 1 0 333.388 2.871 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000468587876 256016890 /nfs/dbraw/zinc/01/68/90/256016890.db2.gz QCDWUZHXDCYEHD-LCYFTJDESA-N 1 0 327.388 2.644 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118640201 221163634 /nfs/dbraw/zinc/16/36/34/221163634.db2.gz UHBGMYKAUOFOTM-UHFFFAOYSA-N 1 0 347.415 2.877 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868586 221199450 /nfs/dbraw/zinc/19/94/50/221199450.db2.gz PBIQVHRYSFEFEJ-CQSZACIVSA-N 1 0 348.447 2.586 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000119277338 221283704 /nfs/dbraw/zinc/28/37/04/221283704.db2.gz YPSNCKTVCOQUQR-BZPMIXESSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154666719 533303950 /nfs/dbraw/zinc/30/39/50/533303950.db2.gz JPTYHJSEOAASSB-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174558496 533308311 /nfs/dbraw/zinc/30/83/11/533308311.db2.gz RJIVJFCCKDUECY-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO COc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174558482 533312127 /nfs/dbraw/zinc/31/21/27/533312127.db2.gz RJIVJFCCKDUECY-CQSZACIVSA-N 1 0 347.415 2.551 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000179844425 533349977 /nfs/dbraw/zinc/34/99/77/533349977.db2.gz NVBDBHUWBCPYGY-SNVBAGLBSA-N 1 0 341.795 2.591 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344870791 533383982 /nfs/dbraw/zinc/38/39/82/533383982.db2.gz XYYHISQTUABXGR-LZOLKVDOSA-N 1 0 347.459 2.681 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000344884194 533384819 /nfs/dbraw/zinc/38/48/19/533384819.db2.gz YHYWJEWWJKVERT-LDCOFTPGSA-N 1 0 327.388 2.503 20 5 EFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC(F)F)cc1 ZINC000179600144 533406509 /nfs/dbraw/zinc/40/65/09/533406509.db2.gz OAEOWXCXOZOUPY-SNVBAGLBSA-N 1 0 326.303 2.744 20 5 EFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000183822357 533557435 /nfs/dbraw/zinc/55/74/35/533557435.db2.gz ZYAMSTPBFDWEIV-CQSZACIVSA-N 1 0 336.388 2.578 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304287916 141445082 /nfs/dbraw/zinc/44/50/82/141445082.db2.gz IRALTBSGUHEERL-SUMWQHHRSA-N 1 0 344.415 2.636 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@@H+]1C ZINC000343452124 142000658 /nfs/dbraw/zinc/00/06/58/142000658.db2.gz RCLQQNKREGUWGQ-UKRRQHHQSA-N 1 0 346.431 2.752 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343452213 142000813 /nfs/dbraw/zinc/00/08/13/142000813.db2.gz RIGYZCUYRCYSJS-AWEZNQCLSA-N 1 0 344.415 2.506 20 5 EFBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000344604550 142047175 /nfs/dbraw/zinc/04/71/75/142047175.db2.gz AMFKSNMBVGJMSW-OAHLLOKOSA-N 1 0 329.356 2.565 20 5 EFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000344605152 142048099 /nfs/dbraw/zinc/04/80/99/142048099.db2.gz NJTHHJWKXXMVCC-CYBMUJFWSA-N 1 0 344.415 2.793 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344688995 142061392 /nfs/dbraw/zinc/06/13/92/142061392.db2.gz CQWBRCUDBRQOKW-HNNXBMFYSA-N 1 0 334.372 2.970 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000344702004 142063532 /nfs/dbraw/zinc/06/35/32/142063532.db2.gz QYZKWVZVJJPHHA-GFCCVEGCSA-N 1 0 335.379 2.680 20 5 EFBDRO COc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000344720818 142067354 /nfs/dbraw/zinc/06/73/54/142067354.db2.gz GZSYEJCIKNWAGV-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000344723157 142067835 /nfs/dbraw/zinc/06/78/35/142067835.db2.gz KAKKWTMBLODDQH-GFCCVEGCSA-N 1 0 334.372 2.972 20 5 EFBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000344740293 142070844 /nfs/dbraw/zinc/07/08/44/142070844.db2.gz LIMZSXZSBKIJJF-ZDUSSCGKSA-N 1 0 349.406 2.609 20 5 EFBDRO CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344830490 142085344 /nfs/dbraw/zinc/08/53/44/142085344.db2.gz CTKYQZFOZVCNAS-NWNNTGRJSA-N 1 0 346.475 2.614 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344932984 142099771 /nfs/dbraw/zinc/09/97/71/142099771.db2.gz DGFCQSBYRZNNTN-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345024940 142113084 /nfs/dbraw/zinc/11/30/84/142113084.db2.gz PLABBRUKKPQYEN-GHMZBOCLSA-N 1 0 325.796 2.737 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345923047 142118868 /nfs/dbraw/zinc/11/88/68/142118868.db2.gz PZUFMXHICFLMBI-GHMZBOCLSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345937058 142120635 /nfs/dbraw/zinc/12/06/35/142120635.db2.gz BMTUFHGPRLSIJP-OLZOCXBDSA-N 1 0 346.431 2.724 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345975097 142127042 /nfs/dbraw/zinc/12/70/42/142127042.db2.gz XVNALAUNHQNWLS-LSDHHAIUSA-N 1 0 348.447 2.728 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346165842 142158840 /nfs/dbraw/zinc/15/88/40/142158840.db2.gz RHIPCYWWIWVWKC-RVSPLBMKSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346190454 142164467 /nfs/dbraw/zinc/16/44/67/142164467.db2.gz PAKZUDUFGMJTAG-RVSPLBMKSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346190453 142164545 /nfs/dbraw/zinc/16/45/45/142164545.db2.gz PAKZUDUFGMJTAG-HACGYAERSA-N 1 0 331.416 2.706 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346221401 142170163 /nfs/dbraw/zinc/17/01/63/142170163.db2.gz LLCDIQICSVKCKE-NSHDSACASA-N 1 0 325.434 2.775 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000346253133 142176912 /nfs/dbraw/zinc/17/69/12/142176912.db2.gz ZTOLBCMLXKUKEX-JJRVBVJISA-N 1 0 331.416 2.706 20 5 EFBDRO CC(=O)NC1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000346279638 142182472 /nfs/dbraw/zinc/18/24/72/142182472.db2.gz SWNMZBIJUWBQJG-FNORWQNLSA-N 1 0 331.416 2.987 20 5 EFBDRO Cc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000346286918 142183789 /nfs/dbraw/zinc/18/37/89/142183789.db2.gz ZROPILYNSRJDQR-RVSPLBMKSA-N 1 0 331.416 2.706 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000346300523 142185949 /nfs/dbraw/zinc/18/59/49/142185949.db2.gz UCDJPXISOJARJV-UHFFFAOYSA-N 1 0 333.432 2.862 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000346324922 142190028 /nfs/dbraw/zinc/19/00/28/142190028.db2.gz XSEKYZLONYQDNP-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346331704 142190577 /nfs/dbraw/zinc/19/05/77/142190577.db2.gz WSGQEHWFAIFOPK-LPHOPBHVSA-N 1 0 345.443 2.718 20 5 EFBDRO C[C@@H]1CCC[C@@](CNc2ncnc3cccc([N+](=O)[O-])c32)([NH+](C)C)C1 ZINC000347430144 142215079 /nfs/dbraw/zinc/21/50/79/142215079.db2.gz NAFGUXUMHVCVAO-FZKQIMNGSA-N 1 0 343.431 2.882 20 5 EFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568365 142237554 /nfs/dbraw/zinc/23/75/54/142237554.db2.gz VDWROYFCXNXDEE-NEPJUHHUSA-N 1 0 344.371 2.676 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c2c(c1)COCO2 ZINC000347632178 142247713 /nfs/dbraw/zinc/24/77/13/142247713.db2.gz QTNHZTWJHRBMKC-QGZVFWFLSA-N 1 0 348.399 2.852 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000347822599 142276924 /nfs/dbraw/zinc/27/69/24/142276924.db2.gz GXONSZXHWBRWEG-GOEBONIOSA-N 1 0 348.447 2.652 20 5 EFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347914119 142292365 /nfs/dbraw/zinc/29/23/65/142292365.db2.gz FQOPSMYOWUUAOE-UHFFFAOYSA-N 1 0 344.415 2.907 20 5 EFBDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000349664510 142345402 /nfs/dbraw/zinc/34/54/02/142345402.db2.gz MBFWLVTZEFUVSG-WDNDVIMCSA-N 1 0 340.445 2.783 20 5 EFBDRO NC(=O)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000349952592 142381985 /nfs/dbraw/zinc/38/19/85/142381985.db2.gz QFJFLZXPQOGUKI-HNNXBMFYSA-N 1 0 333.775 2.607 20 5 EFBDRO CSCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505109 142500382 /nfs/dbraw/zinc/50/03/82/142500382.db2.gz XXAQALGIBKQSKN-OCCSQVGLSA-N 1 0 339.461 2.764 20 5 EFBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)[NH+]1C ZINC000339620336 144806959 /nfs/dbraw/zinc/80/69/59/144806959.db2.gz VAVJETRUVKDUMN-CHWSQXEVSA-N 1 0 330.388 2.774 20 5 EFBDRO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH+]1C ZINC000339620337 144807004 /nfs/dbraw/zinc/80/70/04/144807004.db2.gz VAVJETRUVKDUMN-STQMWFEESA-N 1 0 330.388 2.774 20 5 EFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000339644378 144812296 /nfs/dbraw/zinc/81/22/96/144812296.db2.gz MRQXMQWOGDUPAD-INMHGKMJSA-N 1 0 338.452 2.833 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341171004 145005148 /nfs/dbraw/zinc/00/51/48/145005148.db2.gz SUDOHGRVMQGBPB-MRXNPFEDSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000341194626 145010299 /nfs/dbraw/zinc/01/02/99/145010299.db2.gz HULKDMDYXIXDRB-UWVGGRQHSA-N 1 0 326.784 2.852 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000341203256 145012033 /nfs/dbraw/zinc/01/20/33/145012033.db2.gz CBJPBHAFMAJVGR-CJNGLKHVSA-N 1 0 346.383 2.694 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000341279794 145025360 /nfs/dbraw/zinc/02/53/60/145025360.db2.gz SOQJYOKCIRJGKP-RHSMWYFYSA-N 1 0 344.415 2.900 20 5 EFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000341403837 145046645 /nfs/dbraw/zinc/04/66/45/145046645.db2.gz RDAXUTLEBNMYHV-ZDUSSCGKSA-N 1 0 342.399 2.878 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000342235129 145085295 /nfs/dbraw/zinc/08/52/95/145085295.db2.gz IOHUXANZKMEBCP-HIFRSBDPSA-N 1 0 330.388 2.586 20 5 EFBDRO O=C1c2ccccc2CCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342303305 145097039 /nfs/dbraw/zinc/09/70/39/145097039.db2.gz REAYQBJFMCKDRL-UHFFFAOYSA-N 1 0 343.358 2.522 20 5 EFBDRO C[C@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342353822 145107255 /nfs/dbraw/zinc/10/72/55/145107255.db2.gz HFTCITMYDOUNEY-UONOGXRCSA-N 1 0 340.445 2.784 20 5 EFBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342354408 145107671 /nfs/dbraw/zinc/10/76/71/145107671.db2.gz IYSPXOQTXYENGY-INIZCTEOSA-N 1 0 348.374 2.996 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000342415573 145120991 /nfs/dbraw/zinc/12/09/91/145120991.db2.gz KTJNUNUIOHWLHM-UHFFFAOYSA-N 1 0 340.811 2.533 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000342440952 145126618 /nfs/dbraw/zinc/12/66/18/145126618.db2.gz LIVZRJNJOUMIQV-GVDBMIGSSA-N 1 0 331.416 2.640 20 5 EFBDRO CC(C)CC[NH+]1CCC(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342504364 145139906 /nfs/dbraw/zinc/13/99/06/145139906.db2.gz DLDXBMCIVKHJDW-UHFFFAOYSA-N 1 0 348.447 2.864 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCC1 ZINC000342593041 145155498 /nfs/dbraw/zinc/15/54/98/145155498.db2.gz PWKJEZRUXVAVPT-UHFFFAOYSA-N 1 0 341.367 2.998 20 5 EFBDRO C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000342650346 145165974 /nfs/dbraw/zinc/16/59/74/145165974.db2.gz HQUFVXWWYJVUGJ-IINYFYTJSA-N 1 0 340.811 2.530 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342715982 145178756 /nfs/dbraw/zinc/17/87/56/145178756.db2.gz DCHLLJRWJGHJEB-GVAFMPQTSA-N 1 0 349.456 2.661 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342791000 145193432 /nfs/dbraw/zinc/19/34/32/145193432.db2.gz RWYGXRUGRPPYDV-GFCCVEGCSA-N 1 0 347.444 2.768 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342872703 145213143 /nfs/dbraw/zinc/21/31/43/145213143.db2.gz PJHXYSHPDCCRQN-UHFFFAOYSA-N 1 0 342.399 2.680 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342910380 145220363 /nfs/dbraw/zinc/22/03/63/145220363.db2.gz ZCNQXOUCHVDNEI-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343547428 145235052 /nfs/dbraw/zinc/23/50/52/145235052.db2.gz JFRUAUZGBAPSFQ-HNNXBMFYSA-N 1 0 344.419 2.762 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000343556998 145237698 /nfs/dbraw/zinc/23/76/98/145237698.db2.gz SNIIVTNQPZOQEI-TZMCWYRMSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343565635 145240138 /nfs/dbraw/zinc/24/01/38/145240138.db2.gz RYBUIYJIJYCBIQ-HUBLWGQQSA-N 1 0 337.445 2.674 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000343567080 145240368 /nfs/dbraw/zinc/24/03/68/145240368.db2.gz VPERCANMMKJSNE-ZIAGYGMSSA-N 1 0 329.853 2.726 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343588247 145245905 /nfs/dbraw/zinc/24/59/05/145245905.db2.gz FOSYGWSHBJKNPC-JSGCOSHPSA-N 1 0 334.420 2.628 20 5 EFBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622022 145254861 /nfs/dbraw/zinc/25/48/61/145254861.db2.gz MYBHDFWEOBWYTE-HZPDHXFCSA-N 1 0 341.367 2.565 20 5 EFBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000343629812 145257182 /nfs/dbraw/zinc/25/71/82/145257182.db2.gz YPODFPCHJGSZNV-GDBMZVCRSA-N 1 0 341.367 2.565 20 5 EFBDRO C[C@@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343764756 145289720 /nfs/dbraw/zinc/28/97/20/145289720.db2.gz WOAWANRJRBVGFW-PBHICJAKSA-N 1 0 348.447 2.699 20 5 EFBDRO CC[NH+](CC)CCN(Cc1cccs1)c1c([N+](=O)[O-])ncn1C ZINC000343786759 145294811 /nfs/dbraw/zinc/29/48/11/145294811.db2.gz IPNGTIKYGUUQDT-UHFFFAOYSA-N 1 0 337.449 2.738 20 5 EFBDRO CC(C)SCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000343817549 145300851 /nfs/dbraw/zinc/30/08/51/145300851.db2.gz VLAXGSBQQSTQGX-UHFFFAOYSA-N 1 0 339.461 2.981 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343896064 145319192 /nfs/dbraw/zinc/31/91/92/145319192.db2.gz MBWIMRZQRTYHEV-XHDPSFHLSA-N 1 0 349.456 2.919 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344004052 145343440 /nfs/dbraw/zinc/34/34/40/145343440.db2.gz KGMUHKCFTJURSM-WCQYABFASA-N 1 0 333.388 2.662 20 5 EFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000344039723 145353003 /nfs/dbraw/zinc/35/30/03/145353003.db2.gz UKXYMVMNBSGIAK-ZDUSSCGKSA-N 1 0 331.416 2.852 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000344187391 145387793 /nfs/dbraw/zinc/38/77/93/145387793.db2.gz GOHTVMXIWFFQEM-INIZCTEOSA-N 1 0 349.337 2.906 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344203278 145392011 /nfs/dbraw/zinc/39/20/11/145392011.db2.gz DAHWCGGMEHDMQW-MRXNPFEDSA-N 1 0 343.358 2.738 20 5 EFBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344203277 145392173 /nfs/dbraw/zinc/39/21/73/145392173.db2.gz DAHWCGGMEHDMQW-INIZCTEOSA-N 1 0 343.358 2.738 20 5 EFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348832219 146010483 /nfs/dbraw/zinc/01/04/83/146010483.db2.gz HSHMPDSRWQPRRL-QKIRZYONSA-N 1 0 331.416 2.989 20 5 EFBDRO [NH3+]CCN(Cc1cnn(-c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000348898208 146021360 /nfs/dbraw/zinc/02/13/60/146021360.db2.gz XLKSMRGJVWBZFH-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000351150673 146113469 /nfs/dbraw/zinc/11/34/69/146113469.db2.gz WLZMQRYCJDXCDR-NHYWBVRUSA-N 1 0 338.795 2.811 20 5 EFBDRO Cc1nccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351498213 146131483 /nfs/dbraw/zinc/13/14/83/146131483.db2.gz BBPFGEQRUGLROT-CVEARBPZSA-N 1 0 346.435 2.850 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000351502207 146132277 /nfs/dbraw/zinc/13/22/77/146132277.db2.gz KSBLPDDUIIHIFG-CQSZACIVSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351614909 146159043 /nfs/dbraw/zinc/15/90/43/146159043.db2.gz KDNZNXXEAFUCIQ-TXEJJXNPSA-N 1 0 339.823 2.780 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351621078 146161287 /nfs/dbraw/zinc/16/12/87/146161287.db2.gz PSOKAHACLQENSD-ABAIWWIYSA-N 1 0 336.367 2.682 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351644833 146167141 /nfs/dbraw/zinc/16/71/41/146167141.db2.gz BCNNBALZLMOFJP-HIFRSBDPSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352879262 146339133 /nfs/dbraw/zinc/33/91/33/146339133.db2.gz VMXYCXVNMPTBSR-STQMWFEESA-N 1 0 332.404 2.987 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352879259 146339363 /nfs/dbraw/zinc/33/93/63/146339363.db2.gz VMXYCXVNMPTBSR-CHWSQXEVSA-N 1 0 332.404 2.987 20 5 EFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352880937 146340133 /nfs/dbraw/zinc/34/01/33/146340133.db2.gz YNPTWUNFOYXZBR-KRWDZBQOSA-N 1 0 346.387 2.772 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352889599 146342001 /nfs/dbraw/zinc/34/20/01/146342001.db2.gz UMXBAUYYMZKYFK-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCC1 ZINC000353035919 146382228 /nfs/dbraw/zinc/38/22/28/146382228.db2.gz XDWXLNMRUGCGPQ-UHFFFAOYSA-N 1 0 336.388 2.957 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](CO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000353103326 146396632 /nfs/dbraw/zinc/39/66/32/146396632.db2.gz COAQWZOADGEIGV-ZDUSSCGKSA-N 1 0 346.383 2.972 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2cccc(F)c2o1 ZINC000355737442 147049578 /nfs/dbraw/zinc/04/95/78/147049578.db2.gz XVXFKBBAMPQREI-LLVKDONJSA-N 1 0 345.330 2.993 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000356081830 147141382 /nfs/dbraw/zinc/14/13/82/147141382.db2.gz OWQLEIFWYDALIB-ZJUUUORDSA-N 1 0 326.784 2.805 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000356151812 147160633 /nfs/dbraw/zinc/16/06/33/147160633.db2.gz XUMQVGDSOGXHKZ-OLZOCXBDSA-N 1 0 335.404 2.548 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000356391773 147232750 /nfs/dbraw/zinc/23/27/50/147232750.db2.gz KLRWFJOESKIGFA-CABCVRRESA-N 1 0 348.447 2.660 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000356401432 147235068 /nfs/dbraw/zinc/23/50/68/147235068.db2.gz BVAJDEKKVIMZNN-UONOGXRCSA-N 1 0 334.420 2.650 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000356761145 147328802 /nfs/dbraw/zinc/32/88/02/147328802.db2.gz IBBPZOSGAOWGJS-AWEZNQCLSA-N 1 0 336.436 2.632 20 5 EFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000357623098 147575089 /nfs/dbraw/zinc/57/50/89/147575089.db2.gz BOQHOAJWLUVGOG-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000359461238 148091288 /nfs/dbraw/zinc/09/12/88/148091288.db2.gz UFNHLYYKNUBBJB-BETUJISGSA-N 1 0 343.383 2.515 20 5 EFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359541377 148115480 /nfs/dbraw/zinc/11/54/80/148115480.db2.gz DDPKWUHQHQGOHS-ZFWWWQNUSA-N 1 0 345.399 2.976 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c(Cl)c1 ZINC000359577819 148127956 /nfs/dbraw/zinc/12/79/56/148127956.db2.gz HIQMHHCLHXDRFF-OAHLLOKOSA-N 1 0 328.796 2.515 20 5 EFBDRO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000359615358 148140499 /nfs/dbraw/zinc/14/04/99/148140499.db2.gz GHAKTEZCGPCYLV-MRXNPFEDSA-N 1 0 330.384 2.989 20 5 EFBDRO CC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000359627412 148144009 /nfs/dbraw/zinc/14/40/09/148144009.db2.gz CFUNBSVQIMPDIK-KRWDZBQOSA-N 1 0 331.416 2.516 20 5 EFBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000359654527 148153086 /nfs/dbraw/zinc/15/30/86/148153086.db2.gz SHUGZDTVHOUFDI-KRWDZBQOSA-N 1 0 332.356 2.750 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C[NH+](C)C ZINC000359825116 148198973 /nfs/dbraw/zinc/19/89/73/148198973.db2.gz BJPBVKDAIJOBAB-LLVKDONJSA-N 1 0 332.404 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOCC4(CC4)C3)o2)c1 ZINC000360096766 148270028 /nfs/dbraw/zinc/27/00/28/148270028.db2.gz HVSQQCHQBNCEQL-UHFFFAOYSA-N 1 0 343.383 2.905 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000360229259 148305288 /nfs/dbraw/zinc/30/52/88/148305288.db2.gz ZYWXFIUHLUUBHN-HUUCEWRRSA-N 1 0 349.431 2.661 20 5 EFBDRO CCNc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360590097 148402767 /nfs/dbraw/zinc/40/27/67/148402767.db2.gz ZNFRGBCJUQPMBX-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO Cc1cnc(NCC2([NH+](C)C)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000361273498 148588046 /nfs/dbraw/zinc/58/80/46/148588046.db2.gz STHWTDPHIWDIEH-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000363752173 149007672 /nfs/dbraw/zinc/00/76/72/149007672.db2.gz QYUOEVQUAOKHGC-JCGIZDLHSA-N 1 0 333.432 2.889 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cccc([N+](=O)[O-])c2n1 ZINC000364031900 149051936 /nfs/dbraw/zinc/05/19/36/149051936.db2.gz CMIOYAUELJDUMG-UONOGXRCSA-N 1 0 342.399 2.727 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000364625891 149201930 /nfs/dbraw/zinc/20/19/30/149201930.db2.gz YUNJIAVLEYUQDV-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO O=C(CCN1CCC[C@@H]1c1ncc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364639927 149205247 /nfs/dbraw/zinc/20/52/47/149205247.db2.gz WCKQGVSLILKLET-CQSZACIVSA-N 1 0 347.350 2.623 20 5 EFBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1C ZINC000365117792 149321371 /nfs/dbraw/zinc/32/13/71/149321371.db2.gz RQVQRQKJKOYHRH-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO CSc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000365307672 149365924 /nfs/dbraw/zinc/36/59/24/149365924.db2.gz JKRBZWUTPNKIJQ-GFCCVEGCSA-N 1 0 337.445 2.873 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1F ZINC000368367889 150103492 /nfs/dbraw/zinc/10/34/92/150103492.db2.gz WHWMWRFPIJUJOK-GFCCVEGCSA-N 1 0 348.378 2.856 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564810 150150160 /nfs/dbraw/zinc/15/01/60/150150160.db2.gz WAEMYLHTURYNSR-XJKSGUPXSA-N 1 0 344.415 2.820 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cccc1[N+](=O)[O-] ZINC000368564807 150150210 /nfs/dbraw/zinc/15/02/10/150150210.db2.gz WAEMYLHTURYNSR-BBRMVZONSA-N 1 0 344.415 2.820 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368592792 150157040 /nfs/dbraw/zinc/15/70/40/150157040.db2.gz MKPYGIUUPANEER-SJORKVTESA-N 1 0 338.411 2.948 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368592787 150157786 /nfs/dbraw/zinc/15/77/86/150157786.db2.gz MKPYGIUUPANEER-DLBZAZTESA-N 1 0 338.411 2.948 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000368694362 150184169 /nfs/dbraw/zinc/18/41/69/150184169.db2.gz YSYWFIPHKCMXEC-NVXWUHKLSA-N 1 0 347.415 2.813 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)co2)cc1 ZINC000368903382 150232884 /nfs/dbraw/zinc/23/28/84/150232884.db2.gz GJXDLPHJZNEHBZ-CVEARBPZSA-N 1 0 329.356 2.907 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000369223810 150304377 /nfs/dbraw/zinc/30/43/77/150304377.db2.gz HSILIEQBFDKNQX-FRFSOERESA-N 1 0 331.416 2.659 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000372730738 151053426 /nfs/dbraw/zinc/05/34/26/151053426.db2.gz ZRKRWRHGLQTACV-MSOLQXFVSA-N 1 0 328.368 2.782 20 5 EFBDRO CN1CCC2(CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1=O ZINC000373173828 151126421 /nfs/dbraw/zinc/12/64/21/151126421.db2.gz QYQZLSOSEBNGSF-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000373412177 151165815 /nfs/dbraw/zinc/16/58/15/151165815.db2.gz JFNINYOFAQDVOJ-MLGOLLRUSA-N 1 0 340.383 2.672 20 5 EFBDRO C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000373412175 151166111 /nfs/dbraw/zinc/16/61/11/151166111.db2.gz JFNINYOFAQDVOJ-BLLLJJGKSA-N 1 0 340.383 2.672 20 5 EFBDRO CO[C@]1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000373647575 151204509 /nfs/dbraw/zinc/20/45/09/151204509.db2.gz MTZJLIPRWMXIQG-FUHWJXTLSA-N 1 0 347.415 2.591 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373929752 151251029 /nfs/dbraw/zinc/25/10/29/151251029.db2.gz RPUJGPBGBZRWSQ-STQMWFEESA-N 1 0 335.429 2.673 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000373930303 151251973 /nfs/dbraw/zinc/25/19/73/151251973.db2.gz XIGBEPGYOMOLQU-HUUCEWRRSA-N 1 0 344.415 2.526 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373939495 151253993 /nfs/dbraw/zinc/25/39/93/151253993.db2.gz SMAQESBPTAWKPQ-RYUDHWBXSA-N 1 0 335.429 2.673 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000374076162 151280777 /nfs/dbraw/zinc/28/07/77/151280777.db2.gz ZTQSVEAXILMGMB-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374099522 151283460 /nfs/dbraw/zinc/28/34/60/151283460.db2.gz AHFDTSWJVBWGFN-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000374108523 151284860 /nfs/dbraw/zinc/28/48/60/151284860.db2.gz ORZATYCQTRHJNR-UHFFFAOYSA-N 1 0 335.379 2.682 20 5 EFBDRO COc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000374137268 151289663 /nfs/dbraw/zinc/28/96/63/151289663.db2.gz TVCWRQMGXVHVNP-IBGZPJMESA-N 1 0 342.395 2.917 20 5 EFBDRO Cc1nn(C(C)C)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374225032 151304147 /nfs/dbraw/zinc/30/41/47/151304147.db2.gz LXGMGBWQDDRWFV-UHFFFAOYSA-N 1 0 332.408 2.714 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185511170 292242251 /nfs/dbraw/zinc/24/22/51/292242251.db2.gz CVSUHUNZGYNKBN-ZDUSSCGKSA-N 1 0 334.420 2.700 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cccc1[N+](=O)[O-] ZINC000374551010 151368207 /nfs/dbraw/zinc/36/82/07/151368207.db2.gz KKNAUUZWYRXHON-AWEZNQCLSA-N 1 0 345.403 2.732 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000374607086 151379742 /nfs/dbraw/zinc/37/97/42/151379742.db2.gz UQBIUNOQHYKTMY-ROUUACIJSA-N 1 0 346.358 2.921 20 5 EFBDRO COc1ccc(OCC[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000374642583 151387280 /nfs/dbraw/zinc/38/72/80/151387280.db2.gz ILDAVXVOBFOELY-IAGOWNOFSA-N 1 0 336.388 2.529 20 5 EFBDRO COc1ccc(OCCN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000375800713 151597271 /nfs/dbraw/zinc/59/72/71/151597271.db2.gz DDYHPJLULGWPKR-GJZGRUSLSA-N 1 0 349.431 2.541 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000378304307 152052667 /nfs/dbraw/zinc/05/26/67/152052667.db2.gz GSLVYIWGUUPWLU-SJORKVTESA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000378304128 152053653 /nfs/dbraw/zinc/05/36/53/152053653.db2.gz GSLVYIWGUUPWLU-DLBZAZTESA-N 1 0 339.395 2.731 20 5 EFBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000378641700 152134852 /nfs/dbraw/zinc/13/48/52/152134852.db2.gz DBXHPCBPHIXYPY-CXAGYDPISA-N 1 0 330.388 2.883 20 5 EFBDRO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000408035223 152145936 /nfs/dbraw/zinc/14/59/36/152145936.db2.gz KGRPJMBCCQJSOG-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000408070396 152149181 /nfs/dbraw/zinc/14/91/81/152149181.db2.gz NDMAONSCLFCJDZ-WDEREUQCSA-N 1 0 333.413 2.974 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2 ZINC000408221642 152165276 /nfs/dbraw/zinc/16/52/76/152165276.db2.gz JPFPLJPRAZNAHL-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCCCC2)C1 ZINC000408345642 152178400 /nfs/dbraw/zinc/17/84/00/152178400.db2.gz CMVYMYCWLVCWAO-UHFFFAOYSA-N 1 0 343.431 2.921 20 5 EFBDRO COc1cccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000195450767 286445090 /nfs/dbraw/zinc/44/50/90/286445090.db2.gz WPDOHACISVXPSF-MELADBBJSA-N 1 0 349.431 2.700 20 5 EFBDRO CC[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000182750902 287207539 /nfs/dbraw/zinc/20/75/39/287207539.db2.gz FUVLGVOVVQUHBN-OWCLPIDISA-N 1 0 335.448 2.741 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC000984568288 724383134 /nfs/dbraw/zinc/38/31/34/724383134.db2.gz HQLOILJOENLBOU-CTYIDZIISA-N 1 0 331.416 2.769 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC000122361457 222072040 /nfs/dbraw/zinc/07/20/40/222072040.db2.gz LIOYQGVKYFKOCK-UHFFFAOYSA-N 1 0 348.403 2.509 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123495100 222287149 /nfs/dbraw/zinc/28/71/49/222287149.db2.gz SFVCLVLQHVFNSH-CYBMUJFWSA-N 1 0 342.399 2.605 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124251093 222398163 /nfs/dbraw/zinc/39/81/63/222398163.db2.gz TWCBOSXCZFSLBR-UHFFFAOYSA-N 1 0 344.415 2.608 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172705685 227846685 /nfs/dbraw/zinc/84/66/85/227846685.db2.gz YUBHOJCPJYRFAO-NADMHLTPSA-N 1 0 343.427 2.942 20 5 EFBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051182884 292635718 /nfs/dbraw/zinc/63/57/18/292635718.db2.gz QLHBRROTNSXHEH-UHFFFAOYSA-N 1 0 349.431 2.732 20 5 EFBDRO CC[NH+](CC)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051342257 292636986 /nfs/dbraw/zinc/63/69/86/292636986.db2.gz YGMWXAFWYUHXET-UHFFFAOYSA-N 1 0 348.428 2.790 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000052556596 292640259 /nfs/dbraw/zinc/64/02/59/292640259.db2.gz RDLHYJWKIWQIDZ-AWEZNQCLSA-N 1 0 334.420 2.516 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170020460 544855764 /nfs/dbraw/zinc/85/57/64/544855764.db2.gz KKGFELSARQRILM-CHWSQXEVSA-N 1 0 332.404 2.764 20 5 EFBDRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027675070 272963274 /nfs/dbraw/zinc/96/32/74/272963274.db2.gz UIIYVAQEHSOSPH-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184546987 265019261 /nfs/dbraw/zinc/01/92/61/265019261.db2.gz PKUKDVRACHGBLJ-UHFFFAOYSA-N 1 0 349.456 2.727 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000185082040 265032936 /nfs/dbraw/zinc/03/29/36/265032936.db2.gz SJPWEJYWCXAAPD-HNNXBMFYSA-N 1 0 347.371 2.538 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000186448076 265067238 /nfs/dbraw/zinc/06/72/38/265067238.db2.gz MSKSALBVJLXZEY-HIFRSBDPSA-N 1 0 335.404 2.736 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000186448090 265067415 /nfs/dbraw/zinc/06/74/15/265067415.db2.gz MSKSALBVJLXZEY-UKRRQHHQSA-N 1 0 335.404 2.736 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191577396 265269063 /nfs/dbraw/zinc/26/90/63/265269063.db2.gz FCGNJRLNGBKELS-SFHVURJKSA-N 1 0 328.368 2.815 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2csc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000193676713 265342445 /nfs/dbraw/zinc/34/24/45/265342445.db2.gz CPWPWMFSBBEPCA-ABAIWWIYSA-N 1 0 325.434 2.897 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000194698178 265382152 /nfs/dbraw/zinc/38/21/52/265382152.db2.gz MCZBXYPOBUCULA-BQYQJAHWSA-N 1 0 329.400 2.599 20 5 EFBDRO COCC[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000194957459 265398277 /nfs/dbraw/zinc/39/82/77/265398277.db2.gz QDNPCNZPJBCYRY-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO CCc1nn(C)c(N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000271259533 265929175 /nfs/dbraw/zinc/92/91/75/265929175.db2.gz KLKXKILVZWRJCU-UHFFFAOYSA-N 1 0 343.431 2.521 20 5 EFBDRO CC(C)N1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000271536606 266003525 /nfs/dbraw/zinc/00/35/25/266003525.db2.gz SRFVMRWAAOXEJT-CVEARBPZSA-N 1 0 331.416 2.515 20 5 EFBDRO Cc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559993 266008127 /nfs/dbraw/zinc/00/81/27/266008127.db2.gz WNHVNCAPXHSQIE-POZUXBRTSA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560173 266009584 /nfs/dbraw/zinc/00/95/84/266009584.db2.gz WQJDJEZRXCIXPM-GDIGMMSISA-N 1 0 347.459 2.932 20 5 EFBDRO Cc1cc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271645749 266030444 /nfs/dbraw/zinc/03/04/44/266030444.db2.gz SUXAKOXCIKSEJO-UHFFFAOYSA-N 1 0 330.388 2.885 20 5 EFBDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000271710118 266047702 /nfs/dbraw/zinc/04/77/02/266047702.db2.gz JJILHGAECLMGBB-RDJZCZTQSA-N 1 0 346.431 2.838 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271723160 266049462 /nfs/dbraw/zinc/04/94/62/266049462.db2.gz XGNRNECDQFHLPA-KRWDZBQOSA-N 1 0 343.383 2.555 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271761456 266055371 /nfs/dbraw/zinc/05/53/71/266055371.db2.gz MLQYWGKYUIZIEE-CABCVRRESA-N 1 0 338.795 2.547 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000271810254 266066005 /nfs/dbraw/zinc/06/60/05/266066005.db2.gz MYDLLUKLTWUKOS-LLVKDONJSA-N 1 0 325.434 2.567 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271821463 266068907 /nfs/dbraw/zinc/06/89/07/266068907.db2.gz CWIMHSUAWMMLTM-ZDUSSCGKSA-N 1 0 332.404 2.525 20 5 EFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000271979635 266113311 /nfs/dbraw/zinc/11/33/11/266113311.db2.gz JCUVSGVBBZPDPF-AMKSKSKJSA-N 1 0 336.388 2.610 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272215405 266192339 /nfs/dbraw/zinc/19/23/39/266192339.db2.gz QYSVKHWTQODCJI-QMTHXVAHSA-N 1 0 340.221 2.888 20 5 EFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272370886 266244856 /nfs/dbraw/zinc/24/48/56/266244856.db2.gz GQYPJPQBYQHFRY-IINYFYTJSA-N 1 0 338.795 2.806 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272416650 266258799 /nfs/dbraw/zinc/25/87/99/266258799.db2.gz AQJUZUUPLVDTPB-GRDNDAEWSA-N 1 0 346.431 2.700 20 5 EFBDRO CCOCCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272447886 266268380 /nfs/dbraw/zinc/26/83/80/266268380.db2.gz PEWYKOUXQMSMEV-UHFFFAOYSA-N 1 0 348.346 2.764 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272492402 266281740 /nfs/dbraw/zinc/28/17/40/266281740.db2.gz UOWRUGPBRKVBHB-JTQLQIEISA-N 1 0 348.371 2.842 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000272579111 266314776 /nfs/dbraw/zinc/31/47/76/266314776.db2.gz GOCWKZPHDWLEGK-BXUZGUMPSA-N 1 0 345.424 2.976 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272595878 266319396 /nfs/dbraw/zinc/31/93/96/266319396.db2.gz UMHBKFLPQSCGJX-VBQJREDUSA-N 1 0 349.431 2.713 20 5 EFBDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000272609271 266326783 /nfs/dbraw/zinc/32/67/83/266326783.db2.gz WMHCZTDUADXZCN-BXUZGUMPSA-N 1 0 334.372 2.790 20 5 EFBDRO CCCCC[N@H+](CCCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000272642958 266337257 /nfs/dbraw/zinc/33/72/57/266337257.db2.gz XUYLDHHLVNJQCV-UHFFFAOYSA-N 1 0 337.420 2.722 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000272643502 266337464 /nfs/dbraw/zinc/33/74/64/266337464.db2.gz OSKRXUIDKMMIRE-RISCZKNCSA-N 1 0 329.356 2.507 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272649967 266339918 /nfs/dbraw/zinc/33/99/18/266339918.db2.gz DWQAZMQVZXXUOV-CYBMUJFWSA-N 1 0 332.404 2.984 20 5 EFBDRO C[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272724899 266364840 /nfs/dbraw/zinc/36/48/40/266364840.db2.gz JQVSEYZPDWXTLL-STQMWFEESA-N 1 0 332.404 2.605 20 5 EFBDRO CCCCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272911473 266412253 /nfs/dbraw/zinc/41/22/53/266412253.db2.gz GQQACBZEYVIFOB-ZDUSSCGKSA-N 1 0 328.434 2.927 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105199319 273004028 /nfs/dbraw/zinc/00/40/28/273004028.db2.gz VYYZFJARZZMTQY-QGZVFWFLSA-N 1 0 346.431 2.755 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275141885 266758144 /nfs/dbraw/zinc/75/81/44/266758144.db2.gz VLXKHNFUHITFRM-WDEREUQCSA-N 1 0 345.321 2.656 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275209625 266766847 /nfs/dbraw/zinc/76/68/47/266766847.db2.gz JMCQISHHNZRVJI-KGLIPLIRSA-N 1 0 341.795 2.734 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000275836052 266883460 /nfs/dbraw/zinc/88/34/60/266883460.db2.gz GMCZCDXLNMLHDN-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000276034528 266913311 /nfs/dbraw/zinc/91/33/11/266913311.db2.gz RVLLRWNQWAGVOA-LBPRGKRZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)CC ZINC000276578812 267017245 /nfs/dbraw/zinc/01/72/45/267017245.db2.gz HVRDOHMLBKRGPR-STQMWFEESA-N 1 0 339.461 2.922 20 5 EFBDRO CCC(O)(CC)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276685263 267035570 /nfs/dbraw/zinc/03/55/70/267035570.db2.gz RHDGXXNHZDJUMX-ZDUSSCGKSA-N 1 0 337.420 2.843 20 5 EFBDRO CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276780839 267049536 /nfs/dbraw/zinc/04/95/36/267049536.db2.gz VEEWIRBFSGOAKF-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO CCOc1cc(CN(CC)C[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000276848583 267061290 /nfs/dbraw/zinc/06/12/90/267061290.db2.gz DHDFHPLBJKITET-CYBMUJFWSA-N 1 0 336.310 2.739 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000276869363 267066361 /nfs/dbraw/zinc/06/63/61/267066361.db2.gz JYBZDPYYFTWLES-LRDDRELGSA-N 1 0 337.420 2.697 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277042856 267104356 /nfs/dbraw/zinc/10/43/56/267104356.db2.gz GIEJDDCXYCDHDW-CYBMUJFWSA-N 1 0 327.388 2.704 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000277073540 267110460 /nfs/dbraw/zinc/11/04/60/267110460.db2.gz DWVYRSPMUVTVAF-AWEZNQCLSA-N 1 0 345.403 2.561 20 5 EFBDRO COc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277109465 267115774 /nfs/dbraw/zinc/11/57/74/267115774.db2.gz QFDCBZPXPKRDSE-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000277178232 267125106 /nfs/dbraw/zinc/12/51/06/267125106.db2.gz NINNSXIOJLVHEV-QGZVFWFLSA-N 1 0 342.399 2.693 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000277178230 267125141 /nfs/dbraw/zinc/12/51/41/267125141.db2.gz NINNSXIOJLVHEV-KRWDZBQOSA-N 1 0 342.399 2.693 20 5 EFBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000277221401 267130955 /nfs/dbraw/zinc/13/09/55/267130955.db2.gz IBPNNXBUXFZIHU-OAHLLOKOSA-N 1 0 347.415 2.612 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000277225626 267131933 /nfs/dbraw/zinc/13/19/33/267131933.db2.gz OHRKPNDINMMEFF-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000277228222 267133298 /nfs/dbraw/zinc/13/32/98/267133298.db2.gz SNCWMHYMYKENNE-SNVBAGLBSA-N 1 0 343.225 2.673 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277333021 267158704 /nfs/dbraw/zinc/15/87/04/267158704.db2.gz RWVDCIWMBNLBDZ-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000277549979 267195461 /nfs/dbraw/zinc/19/54/61/267195461.db2.gz ITFTXVAURJIPCY-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000277581155 267203311 /nfs/dbraw/zinc/20/33/11/267203311.db2.gz MHKGHRINAIKEEC-AWEZNQCLSA-N 1 0 347.415 2.551 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277584004 267203759 /nfs/dbraw/zinc/20/37/59/267203759.db2.gz RSFFZBOTEFPFDN-YCABEKBOSA-N 1 0 329.400 2.741 20 5 EFBDRO CCOc1cccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000277640481 267220146 /nfs/dbraw/zinc/22/01/46/267220146.db2.gz NNYCSDCYQSOZIN-CQSZACIVSA-N 1 0 337.420 2.906 20 5 EFBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000277731095 267246670 /nfs/dbraw/zinc/24/66/70/267246670.db2.gz ORARONKKORBZKP-UHFFFAOYSA-N 1 0 346.383 2.874 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000277772388 267259709 /nfs/dbraw/zinc/25/97/09/267259709.db2.gz NDNJEBPKFFUINX-INIZCTEOSA-N 1 0 326.368 2.870 20 5 EFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277795498 267265079 /nfs/dbraw/zinc/26/50/79/267265079.db2.gz OYTOHHKMEGWSQS-KRWDZBQOSA-N 1 0 346.387 2.772 20 5 EFBDRO CC(=O)c1ccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000277854689 267280835 /nfs/dbraw/zinc/28/08/35/267280835.db2.gz CPJCCMQLMNSLMP-CYBMUJFWSA-N 1 0 335.404 2.710 20 5 EFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3CC[NH+](C4CC4)CC3)cc2N1 ZINC000277941156 267304377 /nfs/dbraw/zinc/30/43/77/267304377.db2.gz RSFJKPAIIZFGLG-UHFFFAOYSA-N 1 0 344.415 2.766 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000277947997 267306289 /nfs/dbraw/zinc/30/62/89/267306289.db2.gz OUHQOQSLFZRJGU-CQSZACIVSA-N 1 0 342.399 2.823 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000278011548 267320900 /nfs/dbraw/zinc/32/09/00/267320900.db2.gz PFQJDGOYNFFRHL-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000278513039 267465418 /nfs/dbraw/zinc/46/54/18/267465418.db2.gz YGWOIEJJYXUIQS-AWEZNQCLSA-N 1 0 330.432 2.731 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278537020 267473739 /nfs/dbraw/zinc/47/37/39/267473739.db2.gz URNMZADBGOOWSY-ZFWWWQNUSA-N 1 0 329.404 2.648 20 5 EFBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000177427312 273037104 /nfs/dbraw/zinc/03/71/04/273037104.db2.gz JSVOLZWIUJTQBT-KRWDZBQOSA-N 1 0 336.388 2.767 20 5 EFBDRO Cc1c(CC(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000269610755 273085521 /nfs/dbraw/zinc/08/55/21/273085521.db2.gz KAYINHSMMZULHL-UHFFFAOYSA-N 1 0 333.432 2.826 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C(C)C ZINC000271137550 273100960 /nfs/dbraw/zinc/10/09/60/273100960.db2.gz NNFDIDNRZNIAOM-CYBMUJFWSA-N 1 0 339.461 2.827 20 5 EFBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000273637902 273115933 /nfs/dbraw/zinc/11/59/33/273115933.db2.gz RPOJMAZEIWPNIW-INIZCTEOSA-N 1 0 343.387 2.642 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273638698 273116052 /nfs/dbraw/zinc/11/60/52/273116052.db2.gz UFDQREVPNDGJAU-RMFFPGPSSA-N 1 0 332.400 2.924 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273807847 273120217 /nfs/dbraw/zinc/12/02/17/273120217.db2.gz ABKUVPVOQRUPOI-CYBMUJFWSA-N 1 0 337.395 2.564 20 5 EFBDRO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000274304994 273131217 /nfs/dbraw/zinc/13/12/17/273131217.db2.gz OTPKGHPEFNRMKB-MCIONIFRSA-N 1 0 340.445 2.783 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000276737422 273142017 /nfs/dbraw/zinc/14/20/17/273142017.db2.gz YZLHPTBASAFHNO-GUTXKFCHSA-N 1 0 329.404 2.785 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000277076302 273145871 /nfs/dbraw/zinc/14/58/71/273145871.db2.gz LTOYXTJEBHRDMK-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000277076306 273145994 /nfs/dbraw/zinc/14/59/94/273145994.db2.gz LTOYXTJEBHRDMK-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000277282125 273151520 /nfs/dbraw/zinc/15/15/20/273151520.db2.gz NLJIGGPEOBZTNI-CQSZACIVSA-N 1 0 344.415 2.561 20 5 EFBDRO CC1(C)C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279103750 273177186 /nfs/dbraw/zinc/17/71/86/273177186.db2.gz OOCBDICWGNJWGN-LBPRGKRZSA-N 1 0 345.321 2.585 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219812 273189861 /nfs/dbraw/zinc/18/98/61/273189861.db2.gz HWLHHBYLNQPPEN-ZOWXZIJZSA-N 1 0 346.387 2.847 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000279228910 273190702 /nfs/dbraw/zinc/19/07/02/273190702.db2.gz DODGXWITBBSXKX-SJKOYZFVSA-N 1 0 347.415 2.731 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279387483 273209774 /nfs/dbraw/zinc/20/97/74/273209774.db2.gz TZBPPYIMAWJWEF-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO C[N@H+](CCCCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279830959 273258421 /nfs/dbraw/zinc/25/84/21/273258421.db2.gz ZMGLLAHJALIBMC-UHFFFAOYSA-N 1 0 333.388 2.887 20 5 EFBDRO C[C@@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000279869695 273262815 /nfs/dbraw/zinc/26/28/15/273262815.db2.gz BZGWRTDORXMEKW-QGZVFWFLSA-N 1 0 331.372 2.987 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000279915389 273268711 /nfs/dbraw/zinc/26/87/11/273268711.db2.gz FDKZXRSKFGDQSZ-KGLIPLIRSA-N 1 0 347.415 2.550 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000279915396 273268736 /nfs/dbraw/zinc/26/87/36/273268736.db2.gz FDKZXRSKFGDQSZ-ZIAGYGMSSA-N 1 0 347.415 2.550 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000279915393 273268743 /nfs/dbraw/zinc/26/87/43/273268743.db2.gz FDKZXRSKFGDQSZ-UONOGXRCSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000280109506 273291753 /nfs/dbraw/zinc/29/17/53/273291753.db2.gz AZCOIJCKJHIAHL-QGZVFWFLSA-N 1 0 329.356 2.552 20 5 EFBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280258015 273308324 /nfs/dbraw/zinc/30/83/24/273308324.db2.gz LQPAJQOAHCHNPQ-QGZVFWFLSA-N 1 0 329.356 2.552 20 5 EFBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000280272995 273310029 /nfs/dbraw/zinc/31/00/29/273310029.db2.gz POVNREXOZRXNCZ-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@H]3CCOC3)o2)cc1 ZINC000280290970 273312060 /nfs/dbraw/zinc/31/20/60/273312060.db2.gz MQVBGOUOSKAQAV-GJZGRUSLSA-N 1 0 346.383 2.589 20 5 EFBDRO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000280496753 273334210 /nfs/dbraw/zinc/33/42/10/273334210.db2.gz OZMCOFMZTHMXNJ-CALCHBBNSA-N 1 0 338.411 2.866 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536576 273338307 /nfs/dbraw/zinc/33/83/07/273338307.db2.gz PKJBSBGRTAQIMK-GUYCJALGSA-N 1 0 335.404 2.813 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000280606763 273346221 /nfs/dbraw/zinc/34/62/21/273346221.db2.gz VQEZZRHGEUHFMI-INIZCTEOSA-N 1 0 343.383 2.522 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000280754717 273363355 /nfs/dbraw/zinc/36/33/55/273363355.db2.gz DZRBSKWDIHTAGD-IGCXYCKISA-N 1 0 334.416 2.552 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000280769871 273364902 /nfs/dbraw/zinc/36/49/02/273364902.db2.gz FBCCCJJDSHGGRT-HUBLWGQQSA-N 1 0 336.388 2.671 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000281037034 273394057 /nfs/dbraw/zinc/39/40/57/273394057.db2.gz VXPMYATVSVQEFZ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281168029 273407228 /nfs/dbraw/zinc/40/72/28/273407228.db2.gz XMELMOYWMOVANW-GFCCVEGCSA-N 1 0 337.445 2.676 20 5 EFBDRO CCC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281318410 273423123 /nfs/dbraw/zinc/42/31/23/273423123.db2.gz ZRLDYLTUGLLALU-HNNXBMFYSA-N 1 0 340.445 2.993 20 5 EFBDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281807967 273471339 /nfs/dbraw/zinc/47/13/39/273471339.db2.gz YTVKGVXPCDBRFE-CABCVRRESA-N 1 0 329.404 2.811 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000282104577 273514905 /nfs/dbraw/zinc/51/49/05/273514905.db2.gz ZNRUGMWLUGOKJS-UHFFFAOYSA-N 1 0 338.408 2.797 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282189470 273526707 /nfs/dbraw/zinc/52/67/07/273526707.db2.gz WLOPSBPZYZYPHJ-CJNGLKHVSA-N 1 0 347.415 2.861 20 5 EFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000422798783 273563538 /nfs/dbraw/zinc/56/35/38/273563538.db2.gz SUWOGODLCHNESW-HNNXBMFYSA-N 1 0 342.399 2.730 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283839467 273766344 /nfs/dbraw/zinc/76/63/44/273766344.db2.gz AWQDWESCJRVANW-GHMZBOCLSA-N 1 0 346.353 2.712 20 5 EFBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000097163474 273795316 /nfs/dbraw/zinc/79/53/16/273795316.db2.gz LFIMFPMOENONJK-UHFFFAOYSA-N 1 0 334.298 2.639 20 5 EFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000284108207 273798218 /nfs/dbraw/zinc/79/82/18/273798218.db2.gz CCXKBOFFJRDDNM-ZDUSSCGKSA-N 1 0 349.412 2.698 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000068902537 273816226 /nfs/dbraw/zinc/81/62/26/273816226.db2.gz DBPGGWJPZLGSCR-NSHDSACASA-N 1 0 328.210 2.888 20 5 EFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)c(OC)c1 ZINC000285441086 274000158 /nfs/dbraw/zinc/00/01/58/274000158.db2.gz LITNIOWINOJXPT-ZDUSSCGKSA-N 1 0 334.376 2.549 20 5 EFBDRO COCCCN(C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241448 274019539 /nfs/dbraw/zinc/01/95/39/274019539.db2.gz OVTYCRGKWADETJ-QGZVFWFLSA-N 1 0 335.448 2.875 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285614540 274038362 /nfs/dbraw/zinc/03/83/62/274038362.db2.gz QFSWKJWHZWAWHC-WFASDCNBSA-N 1 0 334.376 2.562 20 5 EFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000285671025 274049729 /nfs/dbraw/zinc/04/97/29/274049729.db2.gz UGROHSXHFNHFMI-OCCSQVGLSA-N 1 0 337.395 2.801 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000342747928 274052138 /nfs/dbraw/zinc/05/21/38/274052138.db2.gz MKDNQUFVMHPKFQ-AWEZNQCLSA-N 1 0 335.404 2.590 20 5 EFBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000285708421 274057837 /nfs/dbraw/zinc/05/78/37/274057837.db2.gz CVPMRJRGDCRYLF-SFHVURJKSA-N 1 0 339.395 2.594 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285725112 274061618 /nfs/dbraw/zinc/06/16/18/274061618.db2.gz XDOUPFGFYVUCOV-AAEUAGOBSA-N 1 0 325.359 2.932 20 5 EFBDRO C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285801246 274077711 /nfs/dbraw/zinc/07/77/11/274077711.db2.gz FUQNZCRCPJUHEE-DOMZBBRYSA-N 1 0 339.823 2.543 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835852 274084311 /nfs/dbraw/zinc/08/43/11/274084311.db2.gz XZZOWGRMTQWEOR-SMDDNHRTSA-N 1 0 347.337 2.509 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000285873413 274091510 /nfs/dbraw/zinc/09/15/10/274091510.db2.gz QLCDMJLUNVWRKP-YOEHRIQHSA-N 1 0 331.416 2.613 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000031654272 274099733 /nfs/dbraw/zinc/09/97/33/274099733.db2.gz NLDPXCVYDDZPBT-NSHDSACASA-N 1 0 333.388 2.805 20 5 EFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285919621 274100496 /nfs/dbraw/zinc/10/04/96/274100496.db2.gz DWHXWRSUMVWUTO-OAHLLOKOSA-N 1 0 346.431 2.539 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1C[NH+](C)C ZINC000362644605 274118685 /nfs/dbraw/zinc/11/86/85/274118685.db2.gz TWUQSJJQXCJVMQ-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO CC(=O)c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000286021306 274118948 /nfs/dbraw/zinc/11/89/48/274118948.db2.gz ANVQQNAYIHHVSK-CQSZACIVSA-N 1 0 347.415 2.710 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000450253268 274139985 /nfs/dbraw/zinc/13/99/85/274139985.db2.gz NGGSGKDCEWTCQP-QWHCGFSZSA-N 1 0 342.399 2.612 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000286206395 274153658 /nfs/dbraw/zinc/15/36/58/274153658.db2.gz SJMJJBNDIIIUFC-STQMWFEESA-N 1 0 337.445 2.805 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286205443 274153741 /nfs/dbraw/zinc/15/37/41/274153741.db2.gz MKCKVPFLKAZDQZ-PBWFPOADSA-N 1 0 347.415 2.691 20 5 EFBDRO Nc1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000286220881 274156494 /nfs/dbraw/zinc/15/64/94/274156494.db2.gz GWIDYNGAHYHSOQ-UHFFFAOYSA-N 1 0 332.429 2.603 20 5 EFBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286235795 274159092 /nfs/dbraw/zinc/15/90/92/274159092.db2.gz OIMJCGLSZIGNNC-YIONKMFJSA-N 1 0 349.456 2.771 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000286270386 274166182 /nfs/dbraw/zinc/16/61/82/274166182.db2.gz FOLCBFXNPBMOHM-UHFFFAOYSA-N 1 0 335.408 2.671 20 5 EFBDRO CS[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000413204820 274183452 /nfs/dbraw/zinc/18/34/52/274183452.db2.gz JMSWARIGVRQNKP-HUUCEWRRSA-N 1 0 332.429 2.625 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286393086 274191719 /nfs/dbraw/zinc/19/17/19/274191719.db2.gz YZAGURKTFWAOPQ-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000286395912 274192235 /nfs/dbraw/zinc/19/22/35/274192235.db2.gz ZFTXNOJNUMRVJB-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000286409514 274194986 /nfs/dbraw/zinc/19/49/86/274194986.db2.gz LTWFXLITMAUFMY-GFCCVEGCSA-N 1 0 325.359 2.933 20 5 EFBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000343209729 274227238 /nfs/dbraw/zinc/22/72/38/274227238.db2.gz WRSPWKRYNWJLBH-JTQLQIEISA-N 1 0 348.230 2.795 20 5 EFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286661975 274245783 /nfs/dbraw/zinc/24/57/83/274245783.db2.gz UQGHLURHEJTPMR-DGCLKSJQSA-N 1 0 329.194 2.703 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000286671992 274247784 /nfs/dbraw/zinc/24/77/84/274247784.db2.gz PMCUIQXPNBVJLT-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286757265 274267162 /nfs/dbraw/zinc/26/71/62/274267162.db2.gz FQBXXMFVAJHZLD-IUODEOHRSA-N 1 0 337.395 2.801 20 5 EFBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286823161 274280379 /nfs/dbraw/zinc/28/03/79/274280379.db2.gz CLDVLTLTTYKOCM-CJNGLKHVSA-N 1 0 332.404 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286823991 274280592 /nfs/dbraw/zinc/28/05/92/274280592.db2.gz CPCAQDQWRLMTAB-ZFWWWQNUSA-N 1 0 332.404 2.994 20 5 EFBDRO C[N@@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286831801 274282164 /nfs/dbraw/zinc/28/21/64/274282164.db2.gz YGNOQEIAYNERBP-INIZCTEOSA-N 1 0 326.400 2.540 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286891960 274294691 /nfs/dbraw/zinc/29/46/91/274294691.db2.gz LGBHESGHIXBYAB-CXAGYDPISA-N 1 0 347.415 2.520 20 5 EFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@@H]1[NH+]1CCCC1 ZINC000286904900 274297440 /nfs/dbraw/zinc/29/74/40/274297440.db2.gz PGSZNLGYXMXQEO-IRXDYDNUSA-N 1 0 349.456 2.813 20 5 EFBDRO O=C([C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000287177467 274361071 /nfs/dbraw/zinc/36/10/71/274361071.db2.gz CGYPYDAGANRTLE-LBPRGKRZSA-N 1 0 337.807 2.693 20 5 EFBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000287258708 274379732 /nfs/dbraw/zinc/37/97/32/274379732.db2.gz KRODBFOILHQRDI-UHFFFAOYSA-N 1 0 326.400 2.688 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000287291558 274386792 /nfs/dbraw/zinc/38/67/92/274386792.db2.gz ZQFBTSPUUONFKJ-AWEZNQCLSA-N 1 0 347.350 2.553 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000161674045 274395095 /nfs/dbraw/zinc/39/50/95/274395095.db2.gz OUWQLAXZSYIRBD-SCZZXKLOSA-N 1 0 329.198 2.647 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287332716 274396725 /nfs/dbraw/zinc/39/67/25/274396725.db2.gz OKMRJPZVIJUYTL-CQSZACIVSA-N 1 0 347.415 2.710 20 5 EFBDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000443641853 274398264 /nfs/dbraw/zinc/39/82/64/274398264.db2.gz MOPUIDIMPCYNDH-ZIAGYGMSSA-N 1 0 331.416 2.852 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(F)cn1 ZINC000341275459 274472403 /nfs/dbraw/zinc/47/24/03/274472403.db2.gz KJGZQHDCDRMRHX-LLVKDONJSA-N 1 0 332.335 2.636 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000288301586 274566452 /nfs/dbraw/zinc/56/64/52/274566452.db2.gz CDNVFXYDYVLVHF-QGZVFWFLSA-N 1 0 347.419 2.500 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OCCO ZINC000288447471 274595227 /nfs/dbraw/zinc/59/52/27/274595227.db2.gz MPDQJJRMBGMOIR-UHFFFAOYSA-N 1 0 334.372 2.732 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccccc1 ZINC000288564529 274619179 /nfs/dbraw/zinc/61/91/79/274619179.db2.gz DLHDHHSTABFRPS-UHFFFAOYSA-N 1 0 331.420 2.688 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[NH2+][C@@H]2C)ncc1[N+](=O)[O-] ZINC000229608787 274658271 /nfs/dbraw/zinc/65/82/71/274658271.db2.gz GXWGACBPYPVAJU-RKDXNWHRSA-N 1 0 329.198 2.613 20 5 EFBDRO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000289130873 274711091 /nfs/dbraw/zinc/71/10/91/274711091.db2.gz DZEMKYOEVSLHLL-HDJSIYSDSA-N 1 0 333.432 2.754 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289262756 274731734 /nfs/dbraw/zinc/73/17/34/274731734.db2.gz OMVWQILULXDHRH-DYVFJYSZSA-N 1 0 349.456 2.678 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289389669 274752309 /nfs/dbraw/zinc/75/23/09/274752309.db2.gz DTAPHTSVWAFDMP-MRXNPFEDSA-N 1 0 346.383 2.825 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289588428 274787128 /nfs/dbraw/zinc/78/71/28/274787128.db2.gz IFORYXVDERPTIE-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CO)C3CCCC3)o2)c1 ZINC000289658274 274799236 /nfs/dbraw/zinc/79/92/36/274799236.db2.gz VWNPTPNLGWSBEP-INIZCTEOSA-N 1 0 345.399 2.933 20 5 EFBDRO CCCn1nc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1C ZINC000289720035 274809975 /nfs/dbraw/zinc/80/99/75/274809975.db2.gz HBXSBLJAACJFHY-UHFFFAOYSA-N 1 0 331.420 2.783 20 5 EFBDRO CC(C)(C)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289745702 274814874 /nfs/dbraw/zinc/81/48/74/274814874.db2.gz IVYZVNXNSADLPE-UHFFFAOYSA-N 1 0 329.404 2.648 20 5 EFBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289764972 274818152 /nfs/dbraw/zinc/81/81/52/274818152.db2.gz XDJRHGSJXJGQFI-GXTWGEPZSA-N 1 0 325.796 2.595 20 5 EFBDRO [NH3+]CCN(Cc1ccn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000348905627 274945714 /nfs/dbraw/zinc/94/57/14/274945714.db2.gz RTPVFYUZSVWWOO-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342705276 274958054 /nfs/dbraw/zinc/95/80/54/274958054.db2.gz FPEXDJNMASPCJD-ZLKJLUDKSA-N 1 0 329.356 2.540 20 5 EFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356111740 274979307 /nfs/dbraw/zinc/97/93/07/274979307.db2.gz JJOBSZTUJIZWKG-UHFFFAOYSA-N 1 0 349.306 2.596 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000266314910 275012268 /nfs/dbraw/zinc/01/22/68/275012268.db2.gz GXCFVPPTTWSRKY-NSHDSACASA-N 1 0 343.305 2.534 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000408523848 275033427 /nfs/dbraw/zinc/03/34/27/275033427.db2.gz NYMRXNOZSMESNQ-UHFFFAOYSA-N 1 0 339.823 2.579 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000420266299 275036902 /nfs/dbraw/zinc/03/69/02/275036902.db2.gz VQLYDFLLWURLBM-KBPBESRZSA-N 1 0 342.374 2.842 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000154414262 275039561 /nfs/dbraw/zinc/03/95/61/275039561.db2.gz JBNBWSFGILUZOV-OALUTQOASA-N 1 0 342.395 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)CC(F)F ZINC000429452304 275039999 /nfs/dbraw/zinc/03/99/99/275039999.db2.gz LQJAJYFWUVUILN-IACUBPJLSA-N 1 0 328.359 2.912 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368592789 275040326 /nfs/dbraw/zinc/04/03/26/275040326.db2.gz MKPYGIUUPANEER-IAGOWNOFSA-N 1 0 338.411 2.948 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248651523 275535229 /nfs/dbraw/zinc/53/52/29/275535229.db2.gz UZISQNDBTTVGGQ-KCQAQPDRSA-N 1 0 331.416 2.702 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236828925 275702894 /nfs/dbraw/zinc/70/28/94/275702894.db2.gz HTAOJBWYEZCXQJ-CQSZACIVSA-N 1 0 325.434 2.519 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435236073 275845818 /nfs/dbraw/zinc/84/58/18/275845818.db2.gz HPNYDMMFHRXVRP-CQSZACIVSA-N 1 0 331.416 2.859 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262614168 275846429 /nfs/dbraw/zinc/84/64/29/275846429.db2.gz XLVUOWKMFQYEIG-KGLIPLIRSA-N 1 0 331.416 2.859 20 5 EFBDRO CCCN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353976483 276009291 /nfs/dbraw/zinc/00/92/91/276009291.db2.gz XSVTXKYUSRHKFV-OWCLPIDISA-N 1 0 335.452 2.739 20 5 EFBDRO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000052908651 276085703 /nfs/dbraw/zinc/08/57/03/276085703.db2.gz YUMXBCMQQKZLDJ-UHFFFAOYSA-N 1 0 335.360 2.527 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000348149625 276122848 /nfs/dbraw/zinc/12/28/48/276122848.db2.gz WURNNJCKWIZWLM-CYBMUJFWSA-N 1 0 339.461 2.876 20 5 EFBDRO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)O ZINC000264261590 276256415 /nfs/dbraw/zinc/25/64/15/276256415.db2.gz JPFAXRXFTUSTBM-UHFFFAOYSA-N 1 0 334.376 2.628 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NC(C)C ZINC000414332880 276573635 /nfs/dbraw/zinc/57/36/35/276573635.db2.gz FFJFYGYALSZVFK-CHWSQXEVSA-N 1 0 339.461 2.968 20 5 EFBDRO CNC(=O)c1ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000363450214 277260140 /nfs/dbraw/zinc/26/01/40/277260140.db2.gz PHYSGKZSTHCGSC-INIZCTEOSA-N 1 0 340.383 2.553 20 5 EFBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000435385719 277279872 /nfs/dbraw/zinc/27/98/72/277279872.db2.gz SXLDXYQSROERNT-ZDUSSCGKSA-N 1 0 345.399 2.905 20 5 EFBDRO CNc1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000361212567 277301293 /nfs/dbraw/zinc/30/12/93/277301293.db2.gz NRRIJEBVAISNPU-ZDUSSCGKSA-N 1 0 334.420 2.583 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000414190608 277312276 /nfs/dbraw/zinc/31/22/76/277312276.db2.gz RJVULBXVJPROSV-APIJFGDWSA-N 1 0 334.420 2.822 20 5 EFBDRO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000344981181 277355018 /nfs/dbraw/zinc/35/50/18/277355018.db2.gz HMMOTPZQXHEYLI-WCQYABFASA-N 1 0 329.356 2.839 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416093114 277431609 /nfs/dbraw/zinc/43/16/09/277431609.db2.gz JGQTYHWYWGBZEA-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000451610347 277819631 /nfs/dbraw/zinc/81/96/31/277819631.db2.gz KFPVIPBJHLWMMM-DYVFJYSZSA-N 1 0 338.379 2.629 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425454860 278079147 /nfs/dbraw/zinc/07/91/47/278079147.db2.gz GYANVPRAJZIJHH-GHMZBOCLSA-N 1 0 342.237 2.882 20 5 EFBDRO CSC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000352416571 278124902 /nfs/dbraw/zinc/12/49/02/278124902.db2.gz UZJWOTBPUGAVDU-UHFFFAOYSA-N 1 0 338.433 2.544 20 5 EFBDRO C[C@@H](CCCC[NH3+])N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423435509 278227453 /nfs/dbraw/zinc/22/74/53/278227453.db2.gz OTFJCEDXZNBNAB-BBRMVZONSA-N 1 0 331.420 2.525 20 5 EFBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265748090 278265952 /nfs/dbraw/zinc/26/59/52/278265952.db2.gz DHTDAJWSYGTGGW-QGZVFWFLSA-N 1 0 345.443 2.959 20 5 EFBDRO C[C@@H]1C[NH+](CC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263766788 278744421 /nfs/dbraw/zinc/74/44/21/278744421.db2.gz RSTLWVMPPBCQJR-HUUCEWRRSA-N 1 0 333.432 2.920 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343593038 278901072 /nfs/dbraw/zinc/90/10/72/278901072.db2.gz PBIMYMXOJCPLJT-IUODEOHRSA-N 1 0 343.387 2.708 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000343600588 278970759 /nfs/dbraw/zinc/97/07/59/278970759.db2.gz DILYNDYKKFXGOE-OLZOCXBDSA-N 1 0 327.388 2.601 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266349879 279033902 /nfs/dbraw/zinc/03/39/02/279033902.db2.gz CDBRNOSWCGRXPT-AWEZNQCLSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921656 279092936 /nfs/dbraw/zinc/09/29/36/279092936.db2.gz REBAZECYHXSGME-UHFFFAOYSA-N 1 0 332.404 2.928 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438015766 279115502 /nfs/dbraw/zinc/11/55/02/279115502.db2.gz RFULSZNYZYODBW-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO CC[N@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102480413 279192557 /nfs/dbraw/zinc/19/25/57/279192557.db2.gz YTJOKBMHLSOBAI-UHFFFAOYSA-N 1 0 325.434 2.533 20 5 EFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178490561 279298944 /nfs/dbraw/zinc/29/89/44/279298944.db2.gz ZQTLNLDZLGAGOO-CJNGLKHVSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000433240014 279348847 /nfs/dbraw/zinc/34/88/47/279348847.db2.gz JZWUZBFFFFJCRW-RDTXWAMCSA-N 1 0 347.459 2.875 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000356789072 279370335 /nfs/dbraw/zinc/37/03/35/279370335.db2.gz FWXUPTMFQXMDMT-NEPJUHHUSA-N 1 0 325.384 2.682 20 5 EFBDRO C[C@H]1C[NH+](CC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263766787 279853842 /nfs/dbraw/zinc/85/38/42/279853842.db2.gz RSTLWVMPPBCQJR-GJZGRUSLSA-N 1 0 333.432 2.920 20 5 EFBDRO CCOc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000180672248 279974440 /nfs/dbraw/zinc/97/44/40/279974440.db2.gz MXMPNSHXLRQFNP-CYBMUJFWSA-N 1 0 331.372 2.506 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269200195 280181845 /nfs/dbraw/zinc/18/18/45/280181845.db2.gz VMNNINHWWZGCFD-MNOVXSKESA-N 1 0 343.305 2.580 20 5 EFBDRO Cc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000372436382 280242636 /nfs/dbraw/zinc/24/26/36/280242636.db2.gz SHONHDOXTUSIHL-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347346695 280288209 /nfs/dbraw/zinc/28/82/09/280288209.db2.gz XQRHPILIIOPYKT-RHSMWYFYSA-N 1 0 344.371 2.879 20 5 EFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420260820 280354759 /nfs/dbraw/zinc/35/47/59/280354759.db2.gz OGYCRZUGKSIAED-AWEZNQCLSA-N 1 0 326.400 2.969 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000173229549 281008296 /nfs/dbraw/zinc/00/82/96/281008296.db2.gz INDFQVPJDAXFED-ZNMIVQPWSA-N 1 0 333.432 2.999 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182829706 281019465 /nfs/dbraw/zinc/01/94/65/281019465.db2.gz TZDOOWGPGFXGSR-CVEARBPZSA-N 1 0 333.432 2.618 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000350730401 281258562 /nfs/dbraw/zinc/25/85/62/281258562.db2.gz SXDSRNYEEMILSN-UHFFFAOYSA-N 1 0 333.432 2.842 20 5 EFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000344270201 281360655 /nfs/dbraw/zinc/36/06/55/281360655.db2.gz MWIHFZIUFASCKB-MLGOLLRUSA-N 1 0 331.372 2.917 20 5 EFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000065478693 292683949 /nfs/dbraw/zinc/68/39/49/292683949.db2.gz IOBCXVRVOLEUGG-AWEZNQCLSA-N 1 0 334.420 2.514 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000067722818 292698573 /nfs/dbraw/zinc/69/85/73/292698573.db2.gz GSSPSCFEMAFCIG-CQSZACIVSA-N 1 0 334.420 2.516 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000068310840 292702285 /nfs/dbraw/zinc/70/22/85/292702285.db2.gz UOEGJPXSEBOVAP-UHFFFAOYSA-N 1 0 345.374 2.938 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000338048259 289304518 /nfs/dbraw/zinc/30/45/18/289304518.db2.gz TVVNISFQHAJHMF-JKSUJKDBSA-N 1 0 348.447 2.652 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343751770 289621091 /nfs/dbraw/zinc/62/10/91/289621091.db2.gz SDMNTJKJSKPOHL-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000056946754 289625675 /nfs/dbraw/zinc/62/56/75/289625675.db2.gz ZOBBSAYEMMTUIT-RBSFLKMASA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)N1CCOCC1 ZINC000248757348 290050725 /nfs/dbraw/zinc/05/07/25/290050725.db2.gz CVEWXNCNPNMPIQ-DEYYWGMASA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@H]([C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000248757353 290207323 /nfs/dbraw/zinc/20/73/23/290207323.db2.gz CVEWXNCNPNMPIQ-IYOUNJFTSA-N 1 0 333.432 2.671 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080045801 292797569 /nfs/dbraw/zinc/79/75/69/292797569.db2.gz JBAXEOFVWXCSFV-CQSZACIVSA-N 1 0 336.436 2.885 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080346966 292802728 /nfs/dbraw/zinc/80/27/28/292802728.db2.gz KXVNQCUZUIZQKY-UHFFFAOYSA-N 1 0 327.384 2.979 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424000347 290562488 /nfs/dbraw/zinc/56/24/88/290562488.db2.gz BOXKYSHHGOUZMU-VHSXEESVSA-N 1 0 345.321 2.671 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000119276447 292904271 /nfs/dbraw/zinc/90/42/71/292904271.db2.gz ZHCQZEGSHZBBEC-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126597610 293044560 /nfs/dbraw/zinc/04/45/60/293044560.db2.gz VFSVMCVVMFTBNX-LLVKDONJSA-N 1 0 326.784 2.854 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000127313404 293065544 /nfs/dbraw/zinc/06/55/44/293065544.db2.gz QERFFHXHAUTBSR-CQSZACIVSA-N 1 0 335.404 2.692 20 5 EFBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(C1CC1)C1CC1 ZINC000130114270 293155124 /nfs/dbraw/zinc/15/51/24/293155124.db2.gz RGXANRABPJHWNC-UHFFFAOYSA-N 1 0 343.427 2.864 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000130236972 293158331 /nfs/dbraw/zinc/15/83/31/293158331.db2.gz RSNFOHVYOVLCDA-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000131785178 293208050 /nfs/dbraw/zinc/20/80/50/293208050.db2.gz CGAYPCLHKYSDOW-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO CCCNC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000132311254 293223838 /nfs/dbraw/zinc/22/38/38/293223838.db2.gz KWADLMJMGSCKAB-UHFFFAOYSA-N 1 0 349.431 2.792 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134381608 293287970 /nfs/dbraw/zinc/28/79/70/293287970.db2.gz NRWJKAARZHIOEG-OAHLLOKOSA-N 1 0 337.420 2.571 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@]2(C)CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152892425 293351777 /nfs/dbraw/zinc/35/17/77/293351777.db2.gz WSAGDRGERBPSNU-QGZVFWFLSA-N 1 0 330.388 2.654 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153812454 293395537 /nfs/dbraw/zinc/39/55/37/293395537.db2.gz XFTLMROWVFFUBW-DZGCQCFKSA-N 1 0 338.404 2.840 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000154617159 293433301 /nfs/dbraw/zinc/43/33/01/293433301.db2.gz QLUFBNARYGTNHU-UHFFFAOYSA-N 1 0 331.347 2.726 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000154962547 293448262 /nfs/dbraw/zinc/44/82/62/293448262.db2.gz LHVHLGNXOLXRSN-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158927617 293589328 /nfs/dbraw/zinc/58/93/28/293589328.db2.gz RAYJMHMBQSJONX-NVXWUHKLSA-N 1 0 335.448 2.647 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OC ZINC000290301540 294050822 /nfs/dbraw/zinc/05/08/22/294050822.db2.gz BJYKVXRETSKWHK-KRWDZBQOSA-N 1 0 338.404 2.739 20 5 EFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290415788 294081154 /nfs/dbraw/zinc/08/11/54/294081154.db2.gz ULCUGOJTIYJPDQ-HNNXBMFYSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290429153 294084367 /nfs/dbraw/zinc/08/43/67/294084367.db2.gz KAQRDZWUGOPBKI-MRXNPFEDSA-N 1 0 345.374 2.696 20 5 EFBDRO C[C@@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000290469700 294095367 /nfs/dbraw/zinc/09/53/67/294095367.db2.gz GMMWVAJHWYZLNG-ZDUSSCGKSA-N 1 0 343.387 2.528 20 5 EFBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290550892 294117564 /nfs/dbraw/zinc/11/75/64/294117564.db2.gz AUMQOOZCKJRIFL-UHFFFAOYSA-N 1 0 334.203 2.763 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000290612838 294136001 /nfs/dbraw/zinc/13/60/01/294136001.db2.gz BNCZWCQUYOSDSX-ZIAGYGMSSA-N 1 0 336.436 2.992 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000290681824 294156001 /nfs/dbraw/zinc/15/60/01/294156001.db2.gz VNSHLCUWTNFBFH-LBPRGKRZSA-N 1 0 337.376 2.828 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000290814813 294193237 /nfs/dbraw/zinc/19/32/37/294193237.db2.gz GMJWYTNGFKEZOP-UHFFFAOYSA-N 1 0 348.230 2.714 20 5 EFBDRO C[C@@H]1C[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290871274 294208079 /nfs/dbraw/zinc/20/80/79/294208079.db2.gz ZSTQVZSJAGDHPD-BXUZGUMPSA-N 1 0 344.415 2.524 20 5 EFBDRO Cn1cc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290954751 294230041 /nfs/dbraw/zinc/23/00/41/294230041.db2.gz VNZFAJDIGHFORF-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n(C)c1C ZINC000291008150 294245369 /nfs/dbraw/zinc/24/53/69/294245369.db2.gz DMEWUQQPQAVBKX-UHFFFAOYSA-N 1 0 345.399 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291163411 294295346 /nfs/dbraw/zinc/29/53/46/294295346.db2.gz GAFOAXHCNVDUAE-IBGZPJMESA-N 1 0 326.396 2.773 20 5 EFBDRO CO[C@](C)(C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291173247 294299223 /nfs/dbraw/zinc/29/92/23/294299223.db2.gz KBCNBQSRZJIEHW-SJKOYZFVSA-N 1 0 335.404 2.717 20 5 EFBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000291366253 294360228 /nfs/dbraw/zinc/36/02/28/294360228.db2.gz ZJARRHRPMIYOBP-WDEREUQCSA-N 1 0 343.811 2.932 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000291448893 294383883 /nfs/dbraw/zinc/38/38/83/294383883.db2.gz CHYZHOGDNZTBML-UHFFFAOYSA-N 1 0 349.214 2.923 20 5 EFBDRO COCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000291750860 294472869 /nfs/dbraw/zinc/47/28/69/294472869.db2.gz QCTIUFXGQFPHOD-UHFFFAOYSA-N 1 0 332.404 2.758 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000292059897 294565895 /nfs/dbraw/zinc/56/58/95/294565895.db2.gz KBCVZOVGJLDSQH-VIFPVBQESA-N 1 0 333.310 2.861 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293510744 294988016 /nfs/dbraw/zinc/98/80/16/294988016.db2.gz SZYNYWPPNDZVNN-DZGCQCFKSA-N 1 0 331.416 2.716 20 5 EFBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293582684 295005058 /nfs/dbraw/zinc/00/50/58/295005058.db2.gz TXDDFUUSQOJPRE-SECBINFHSA-N 1 0 334.294 2.855 20 5 EFBDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620176 295012598 /nfs/dbraw/zinc/01/25/98/295012598.db2.gz HADMFFKIMJCPDP-LLVKDONJSA-N 1 0 338.408 2.695 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000293639687 295016760 /nfs/dbraw/zinc/01/67/60/295016760.db2.gz HFQRINKSZWZEIO-GFCCVEGCSA-N 1 0 335.379 2.680 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000293700858 295030731 /nfs/dbraw/zinc/03/07/31/295030731.db2.gz NGRRSUDYRMPVRG-CQSZACIVSA-N 1 0 331.416 2.850 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293842792 295062074 /nfs/dbraw/zinc/06/20/74/295062074.db2.gz SYKXQNDMFYIBMP-CYBMUJFWSA-N 1 0 342.399 2.566 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293913852 295078184 /nfs/dbraw/zinc/07/81/84/295078184.db2.gz WZYSZGBQVDXBNC-ZFWWWQNUSA-N 1 0 345.399 2.576 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000293948350 295084794 /nfs/dbraw/zinc/08/47/94/295084794.db2.gz IPQKPJDGJGSKHX-HNNXBMFYSA-N 1 0 329.400 2.709 20 5 EFBDRO COc1cc(CN2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294097816 295110330 /nfs/dbraw/zinc/11/03/30/295110330.db2.gz RWTUAZIOCHGQSR-KRWDZBQOSA-N 1 0 338.404 2.859 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N+](=O)[O-] ZINC000294286336 295141592 /nfs/dbraw/zinc/14/15/92/295141592.db2.gz HRGZRAAOVRCASP-CQSZACIVSA-N 1 0 337.420 2.758 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294816229 295232475 /nfs/dbraw/zinc/23/24/75/295232475.db2.gz GJTZDJPVMIYEIP-SNVBAGLBSA-N 1 0 325.796 2.769 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000294856613 295237284 /nfs/dbraw/zinc/23/72/84/295237284.db2.gz SRDCUHFTHYYZGC-LBPRGKRZSA-N 1 0 337.395 2.848 20 5 EFBDRO Cc1cc(N2CC[C@H](OC(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000294882089 295240737 /nfs/dbraw/zinc/24/07/37/295240737.db2.gz FHJUUVNRSFRKKN-ZDUSSCGKSA-N 1 0 344.371 2.728 20 5 EFBDRO Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294939236 295248435 /nfs/dbraw/zinc/24/84/35/295248435.db2.gz JOKLWZUOESBHAP-WFASDCNBSA-N 1 0 327.388 2.626 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000294951753 295250038 /nfs/dbraw/zinc/25/00/38/295250038.db2.gz MOVBALMDAKXBOO-JSGCOSHPSA-N 1 0 337.807 2.805 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294964501 295251702 /nfs/dbraw/zinc/25/17/02/295251702.db2.gz PMWUKMGSJQWJKT-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO Cc1nc(NCc2cccc(C[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000295003203 295256384 /nfs/dbraw/zinc/25/63/84/295256384.db2.gz AENMUURJNXYWKF-UHFFFAOYSA-N 1 0 327.388 2.901 20 5 EFBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(c3ncc([N+](=O)[O-])c(C)n3)C1)CCCC2 ZINC000295023173 295258663 /nfs/dbraw/zinc/25/86/63/295258663.db2.gz MINMCKZZDUVMGF-CYBMUJFWSA-N 1 0 342.403 2.528 20 5 EFBDRO COc1c(C)cnc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000295101008 295268469 /nfs/dbraw/zinc/26/84/69/295268469.db2.gz GKAGAVQHCPKDDE-KRWDZBQOSA-N 1 0 345.399 2.781 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295136983 295273139 /nfs/dbraw/zinc/27/31/39/295273139.db2.gz OCUPNOZFXMRLOO-IINYFYTJSA-N 1 0 337.807 2.769 20 5 EFBDRO CCC1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000295138854 295273176 /nfs/dbraw/zinc/27/31/76/295273176.db2.gz BXUMMBWGFRWMFP-UHFFFAOYSA-N 1 0 335.360 2.574 20 5 EFBDRO CCC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000295173294 295278152 /nfs/dbraw/zinc/27/81/52/295278152.db2.gz UQQYKMHXEGUURL-MRXNPFEDSA-N 1 0 332.404 2.900 20 5 EFBDRO CCOC(=O)c1cc(CNCc2cc([N+](=O)[O-])ccc2OC)[nH]c1C ZINC000295214032 295283121 /nfs/dbraw/zinc/28/31/21/295283121.db2.gz QIIFBSRNRUIOTH-UHFFFAOYSA-N 1 0 347.371 2.706 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295325834 295300933 /nfs/dbraw/zinc/30/09/33/295300933.db2.gz OZVSKROHYDAVKS-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CCOC(=O)c1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000295386803 295311203 /nfs/dbraw/zinc/31/12/03/295311203.db2.gz KXVCJPDOEVJKPL-UHFFFAOYSA-N 1 0 331.372 2.740 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295412758 295316163 /nfs/dbraw/zinc/31/61/63/295316163.db2.gz UMFHQMSLIOQXIW-GDBMZVCRSA-N 1 0 333.432 2.601 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295513450 295333487 /nfs/dbraw/zinc/33/34/87/295333487.db2.gz HTLGTTVXBMJUSD-VIIAAUOXSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295697803 295362465 /nfs/dbraw/zinc/36/24/65/295362465.db2.gz NVTYYPBNMFDSRQ-CEOUIICOSA-N 1 0 329.400 2.551 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295762723 295372175 /nfs/dbraw/zinc/37/21/75/295372175.db2.gz PFKSWTXONFZDOJ-FZMZJTMJSA-N 1 0 337.807 2.947 20 5 EFBDRO C[C@H](c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295836781 295383381 /nfs/dbraw/zinc/38/33/81/295383381.db2.gz AGANHCALYUOJTP-OLZOCXBDSA-N 1 0 348.447 2.852 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295836383 295383451 /nfs/dbraw/zinc/38/34/51/295383451.db2.gz NAXHRGXKMWQUJG-GFCCVEGCSA-N 1 0 337.807 2.806 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000295948273 295401610 /nfs/dbraw/zinc/40/16/10/295401610.db2.gz ILDIIYMIYLBUDI-YLFCFFPRSA-N 1 0 332.400 2.566 20 5 EFBDRO O=c1[nH]c(NC2CC[NH+](C3CCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000295965408 295404121 /nfs/dbraw/zinc/40/41/21/295404121.db2.gz JUCLOOXULPWJGE-UHFFFAOYSA-N 1 0 343.387 2.672 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296326580 295458966 /nfs/dbraw/zinc/45/89/66/295458966.db2.gz QMDWWZYJYKRZRF-PBHICJAKSA-N 1 0 335.404 2.717 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296384260 295468369 /nfs/dbraw/zinc/46/83/69/295468369.db2.gz FXGLPMXIHFADSN-BJJXKVORSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449569407 298398328 /nfs/dbraw/zinc/39/83/28/298398328.db2.gz GUFCNWLSBGEYIX-UONOGXRCSA-N 1 0 348.447 2.688 20 5 EFBDRO [NH3+]CCN(Cc1nccn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348933093 303381347 /nfs/dbraw/zinc/38/13/47/303381347.db2.gz HGLBATUHLKFDKK-UHFFFAOYSA-N 1 0 337.383 2.746 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000354720722 304807254 /nfs/dbraw/zinc/80/72/54/304807254.db2.gz PATFTTHRZKYALK-UCJZHXCISA-N 1 0 332.400 2.518 20 5 EFBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000134638100 310644787 /nfs/dbraw/zinc/64/47/87/310644787.db2.gz XYNSVABAEIGMFD-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000163240890 310724831 /nfs/dbraw/zinc/72/48/31/310724831.db2.gz QOSOFXLDQFSLDP-NWDGAFQWSA-N 1 0 349.387 2.820 20 5 EFBDRO CSc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000171510907 310748557 /nfs/dbraw/zinc/74/85/57/310748557.db2.gz QHKPTSOBPOZKRP-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC[NH+]1CCCCC1 ZINC000179354084 310785987 /nfs/dbraw/zinc/78/59/87/310785987.db2.gz DJVGOOPVKNIVQO-UHFFFAOYSA-N 1 0 344.415 2.611 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447821 310799431 /nfs/dbraw/zinc/79/94/31/310799431.db2.gz YVECSEMLEUIYSB-GFCCVEGCSA-N 1 0 342.355 2.594 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1ccc(F)cc1 ZINC000297230042 310868749 /nfs/dbraw/zinc/86/87/49/310868749.db2.gz OUXDGPUJOIATIQ-OLZOCXBDSA-N 1 0 349.387 2.752 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1c1ccc(F)cc1 ZINC000297230054 310869187 /nfs/dbraw/zinc/86/91/87/310869187.db2.gz OUXDGPUJOIATIQ-STQMWFEESA-N 1 0 349.387 2.752 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298700175 311015498 /nfs/dbraw/zinc/01/54/98/311015498.db2.gz DIGTXZLXWXTYTA-KBPBESRZSA-N 1 0 338.795 2.997 20 5 EFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000298765534 311021496 /nfs/dbraw/zinc/02/14/96/311021496.db2.gz NOQFOUSKMNLAKU-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000298841332 311027660 /nfs/dbraw/zinc/02/76/60/311027660.db2.gz CLGUQZUYSYUDBR-LBPRGKRZSA-N 1 0 331.372 2.803 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000298860455 311029269 /nfs/dbraw/zinc/02/92/69/311029269.db2.gz NZCFAXJHYIHZHG-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298886811 311031892 /nfs/dbraw/zinc/03/18/92/311031892.db2.gz SFZRUYLMNULGEO-GFCCVEGCSA-N 1 0 334.401 2.551 20 5 EFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298890635 311032283 /nfs/dbraw/zinc/03/22/83/311032283.db2.gz VXUQQAXKUSZTST-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298958545 311037726 /nfs/dbraw/zinc/03/77/26/311037726.db2.gz DPZYXQHFWIBSEA-ZIAGYGMSSA-N 1 0 329.356 2.698 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000299170819 311058550 /nfs/dbraw/zinc/05/85/50/311058550.db2.gz RTTXXAMIJIGGNY-INIZCTEOSA-N 1 0 332.375 2.983 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000299170821 311058737 /nfs/dbraw/zinc/05/87/37/311058737.db2.gz RTTXXAMIJIGGNY-MRXNPFEDSA-N 1 0 332.375 2.983 20 5 EFBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299209769 311061785 /nfs/dbraw/zinc/06/17/85/311061785.db2.gz BLGRPKWCWZGJMC-OCCSQVGLSA-N 1 0 335.404 2.731 20 5 EFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000299274419 311068333 /nfs/dbraw/zinc/06/83/33/311068333.db2.gz KFEQEEVHEZBGRB-GFCCVEGCSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCC(C)CC1 ZINC000299306258 311071021 /nfs/dbraw/zinc/07/10/21/311071021.db2.gz ANZACPFDZCTIOZ-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCC(C)CC1 ZINC000299306256 311071061 /nfs/dbraw/zinc/07/10/61/311071061.db2.gz ANZACPFDZCTIOZ-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000299407222 311081915 /nfs/dbraw/zinc/08/19/15/311081915.db2.gz PIGQVOJBFSYFJP-UHFFFAOYSA-N 1 0 327.384 2.732 20 5 EFBDRO COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299578921 311098996 /nfs/dbraw/zinc/09/89/96/311098996.db2.gz DBCBBNNDDBYEFK-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000301089614 311118462 /nfs/dbraw/zinc/11/84/62/311118462.db2.gz MJEKHFQAIFUIRT-LBPRGKRZSA-N 1 0 345.403 2.778 20 5 EFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)cc1 ZINC000301100071 311119020 /nfs/dbraw/zinc/11/90/20/311119020.db2.gz KCTAOKKPWNCIRN-AWEZNQCLSA-N 1 0 342.403 2.524 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000301152583 311121582 /nfs/dbraw/zinc/12/15/82/311121582.db2.gz PPBLJAGURJUYRT-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000301304150 311130482 /nfs/dbraw/zinc/13/04/82/311130482.db2.gz XDTDHTWGPCJKLA-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301333397 311131733 /nfs/dbraw/zinc/13/17/33/311131733.db2.gz BVXJOLGUDFVLKC-UHFFFAOYSA-N 1 0 348.403 2.838 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000301383258 311134806 /nfs/dbraw/zinc/13/48/06/311134806.db2.gz VNGMRLYWGMUBFG-QGZVFWFLSA-N 1 0 348.447 2.877 20 5 EFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Br)C(C)C ZINC000301543385 311143397 /nfs/dbraw/zinc/14/33/97/311143397.db2.gz OOLRMWRSLHDNDV-UHFFFAOYSA-N 1 0 331.214 2.895 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301584715 311145969 /nfs/dbraw/zinc/14/59/69/311145969.db2.gz AUCIBKMMUJRKDB-LBPRGKRZSA-N 1 0 345.403 2.633 20 5 EFBDRO Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301597092 311146908 /nfs/dbraw/zinc/14/69/08/311146908.db2.gz ZOZJYKFQGPJSHX-ZDUSSCGKSA-N 1 0 339.823 2.715 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccncc21 ZINC000301719985 311154696 /nfs/dbraw/zinc/15/46/96/311154696.db2.gz MDQNDYUOWDIAGT-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000301742153 311155867 /nfs/dbraw/zinc/15/58/67/311155867.db2.gz YMHZHHKJEFBSLY-ZDUSSCGKSA-N 1 0 325.796 2.913 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301799602 311159112 /nfs/dbraw/zinc/15/91/12/311159112.db2.gz SGACONQRTBEGJG-LBPRGKRZSA-N 1 0 329.347 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000302039507 311173935 /nfs/dbraw/zinc/17/39/35/311173935.db2.gz QXMWDICNHGSYLB-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302059314 311175430 /nfs/dbraw/zinc/17/54/30/311175430.db2.gz SCWFSKJBXXCUOV-INIZCTEOSA-N 1 0 345.374 2.913 20 5 EFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000302406790 311189323 /nfs/dbraw/zinc/18/93/23/311189323.db2.gz GANBHAQUBLNDSH-LJQANCHMSA-N 1 0 341.411 2.668 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302434748 311189883 /nfs/dbraw/zinc/18/98/83/311189883.db2.gz LYYDDLZOLCUSGQ-WDEREUQCSA-N 1 0 347.337 2.505 20 5 EFBDRO C[C@@H]1C[N@@H+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)O1 ZINC000302458938 311190528 /nfs/dbraw/zinc/19/05/28/311190528.db2.gz QYQVNRNOQZNEFQ-OKILXGFUSA-N 1 0 348.447 2.864 20 5 EFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302470480 311190766 /nfs/dbraw/zinc/19/07/66/311190766.db2.gz CSTYFPRSOHEAMX-LLVKDONJSA-N 1 0 327.812 2.530 20 5 EFBDRO Cc1cccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302494361 311191535 /nfs/dbraw/zinc/19/15/35/311191535.db2.gz LIEJVJRHJPDBSP-IAGOWNOFSA-N 1 0 341.411 2.951 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000302545095 311192739 /nfs/dbraw/zinc/19/27/39/311192739.db2.gz UPAODMUCJGBFBS-BZUAXINKSA-N 1 0 333.432 2.981 20 5 EFBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304358609 311212154 /nfs/dbraw/zinc/21/21/54/311212154.db2.gz SVPSJYGSDGEEKR-IUODEOHRSA-N 1 0 344.371 2.591 20 5 EFBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313370480 311232165 /nfs/dbraw/zinc/23/21/65/311232165.db2.gz GOCRKGHMXHWTRA-KRWDZBQOSA-N 1 0 325.368 2.690 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000315902243 311234869 /nfs/dbraw/zinc/23/48/69/311234869.db2.gz DCSGSZGFXYHSEY-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000320383139 311237784 /nfs/dbraw/zinc/23/77/84/311237784.db2.gz LFSAWOGGGUFSQO-LBPRGKRZSA-N 1 0 334.397 2.849 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000324794715 311242370 /nfs/dbraw/zinc/24/23/70/311242370.db2.gz MYGATUQKCQVXRA-XITLMJRVSA-N 1 0 329.400 2.599 20 5 EFBDRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000326710624 311244587 /nfs/dbraw/zinc/24/45/87/311244587.db2.gz XHILQCKSXUKLKY-IBHLPDHGSA-N 1 0 344.396 2.519 20 5 EFBDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327880270 311245280 /nfs/dbraw/zinc/24/52/80/311245280.db2.gz SQPHOKOXLXAEEA-QGZVFWFLSA-N 1 0 344.411 2.995 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000330559383 311321948 /nfs/dbraw/zinc/32/19/48/311321948.db2.gz IGCDXVODJZSDHL-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000330561572 311322003 /nfs/dbraw/zinc/32/20/03/311322003.db2.gz ZCULSFBCIDLABF-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000330573776 311322384 /nfs/dbraw/zinc/32/23/84/311322384.db2.gz NOFJQHDMXFCJRT-QWHCGFSZSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000330578817 311322650 /nfs/dbraw/zinc/32/26/50/311322650.db2.gz PIRULCIGHMDPFV-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C[N@@H+]1C ZINC000330583434 311322887 /nfs/dbraw/zinc/32/28/87/311322887.db2.gz KHZMPXBRITZWFZ-OLZOCXBDSA-N 1 0 330.388 2.774 20 5 EFBDRO CC[NH+]1C[C@@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000330813859 311336659 /nfs/dbraw/zinc/33/66/59/311336659.db2.gz FOKJKTMIKVWYLH-CHWSQXEVSA-N 1 0 345.403 2.559 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000330859108 311339250 /nfs/dbraw/zinc/33/92/50/311339250.db2.gz JXZPCRBWXCRDBI-LSDHHAIUSA-N 1 0 348.447 2.646 20 5 EFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000331270452 311364216 /nfs/dbraw/zinc/36/42/16/311364216.db2.gz ANNZPXKRPXYMJC-XUJVJEKNSA-N 1 0 346.387 2.626 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331495643 311382947 /nfs/dbraw/zinc/38/29/47/311382947.db2.gz GSJWFBPMPXFYND-STQMWFEESA-N 1 0 327.388 2.738 20 5 EFBDRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331614575 311397121 /nfs/dbraw/zinc/39/71/21/311397121.db2.gz WODPFYHMNCAXBG-INIZCTEOSA-N 1 0 331.416 2.643 20 5 EFBDRO CC1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331709850 311410310 /nfs/dbraw/zinc/41/03/10/311410310.db2.gz CLUDQFSJPILFEZ-JKSUJKDBSA-N 1 0 335.452 2.597 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331979741 311440622 /nfs/dbraw/zinc/44/06/22/311440622.db2.gz SPVQSCWTGCPFLV-GDBMZVCRSA-N 1 0 331.416 2.816 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332083668 311452590 /nfs/dbraw/zinc/45/25/90/311452590.db2.gz PBAZGGIMQLZDIG-GJZGRUSLSA-N 1 0 331.416 2.910 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332230385 311474819 /nfs/dbraw/zinc/47/48/19/311474819.db2.gz DHZCDDNJGSVCSX-NEPJUHHUSA-N 1 0 330.388 2.679 20 5 EFBDRO CC(C)C1CCC([NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000332411650 311500623 /nfs/dbraw/zinc/50/06/23/311500623.db2.gz HXFSNKJHLICXBX-UHFFFAOYSA-N 1 0 349.479 2.661 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411514441 311980591 /nfs/dbraw/zinc/98/05/91/311980591.db2.gz GDTGLZUOCCODTM-FGTMMUONSA-N 1 0 343.427 2.785 20 5 EFBDRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415442082 312139715 /nfs/dbraw/zinc/13/97/15/312139715.db2.gz PRTHYUQTSPMFQG-UHFFFAOYSA-N 1 0 344.293 2.655 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415628943 312158514 /nfs/dbraw/zinc/15/85/14/312158514.db2.gz HDLIHJSCCJFPGP-NEPJUHHUSA-N 1 0 336.367 2.587 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415634511 312160183 /nfs/dbraw/zinc/16/01/83/312160183.db2.gz SMTFQAAVBMAGHR-UHFFFAOYSA-N 1 0 336.367 2.731 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415668361 312163025 /nfs/dbraw/zinc/16/30/25/312163025.db2.gz ZMUYQMQAKVONCJ-SMDDNHRTSA-N 1 0 336.392 2.585 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415691697 312165628 /nfs/dbraw/zinc/16/56/28/312165628.db2.gz FZUTWTQMAHLHTM-STQMWFEESA-N 1 0 346.431 2.966 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415760044 312169702 /nfs/dbraw/zinc/16/97/02/312169702.db2.gz JOULCKZFPJBRRV-AEGPPILISA-N 1 0 332.404 2.748 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417138960 312194918 /nfs/dbraw/zinc/19/49/18/312194918.db2.gz OOQVVQNLAHTKAR-NUEKZKHPSA-N 1 0 346.431 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)CCCC2 ZINC000417349763 312212734 /nfs/dbraw/zinc/21/27/34/312212734.db2.gz MIROQKGFMQRDDH-APWZRJJASA-N 1 0 347.459 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)CCC2 ZINC000417394625 312217640 /nfs/dbraw/zinc/21/76/40/312217640.db2.gz VNYWWLKTYLQYJD-WFASDCNBSA-N 1 0 325.359 2.901 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417397213 312218346 /nfs/dbraw/zinc/21/83/46/312218346.db2.gz XSLWMBGQALKLKD-JSGCOSHPSA-N 1 0 327.375 2.845 20 5 EFBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417714300 312260454 /nfs/dbraw/zinc/26/04/54/312260454.db2.gz IGNFWIHPZTUTSO-AWEZNQCLSA-N 1 0 348.447 2.686 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417727213 312262173 /nfs/dbraw/zinc/26/21/73/312262173.db2.gz NTMVYRAMCUEXAT-HNNXBMFYSA-N 1 0 336.436 2.590 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417729433 312262391 /nfs/dbraw/zinc/26/23/91/312262391.db2.gz QAEWFCRTIMFOFZ-ZBFHGGJFSA-N 1 0 348.447 2.686 20 5 EFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417738932 312263812 /nfs/dbraw/zinc/26/38/12/312263812.db2.gz YYWDRWBETRCCMZ-RDJZCZTQSA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417818216 312274656 /nfs/dbraw/zinc/27/46/56/312274656.db2.gz ASTYXGCUTZVHQR-SUMWQHHRSA-N 1 0 334.420 2.653 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417842051 312279664 /nfs/dbraw/zinc/27/96/64/312279664.db2.gz GLPZTKVNCNDIIA-KCQAQPDRSA-N 1 0 334.420 2.652 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000417848825 312281010 /nfs/dbraw/zinc/28/10/10/312281010.db2.gz KZRPTXNKHUUXIE-UKRRQHHQSA-N 1 0 334.420 2.748 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417941272 312299006 /nfs/dbraw/zinc/29/90/06/312299006.db2.gz MXEPDJITPYNIKT-UHFFFAOYSA-N 1 0 348.447 2.749 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000417991427 312305820 /nfs/dbraw/zinc/30/58/20/312305820.db2.gz VKXDMNMINTYHRP-XJKSGUPXSA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000417993217 312306065 /nfs/dbraw/zinc/30/60/65/312306065.db2.gz XVCKIZLMBZVYTP-ICIURTGMSA-N 1 0 332.404 2.580 20 5 EFBDRO CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000418078836 312321781 /nfs/dbraw/zinc/32/17/81/312321781.db2.gz KACPQAYKFRZKIJ-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO Cc1c(CNC(=O)N(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000418085168 312323087 /nfs/dbraw/zinc/32/30/87/312323087.db2.gz XEIHKZUYFVQWKB-UHFFFAOYSA-N 1 0 348.447 2.954 20 5 EFBDRO C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000418237760 312352308 /nfs/dbraw/zinc/35/23/08/312352308.db2.gz WNJVRCUQUQGLKC-LBPRGKRZSA-N 1 0 340.383 2.758 20 5 EFBDRO O=C(NCCC[NH2+]C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418285165 312357388 /nfs/dbraw/zinc/35/73/88/312357388.db2.gz FAYUXRHFLNJXQD-OAHLLOKOSA-N 1 0 346.431 2.626 20 5 EFBDRO [NH3+]C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCCC1 ZINC000418286827 312357576 /nfs/dbraw/zinc/35/75/76/312357576.db2.gz RZAGWLIRACZBSE-UHFFFAOYSA-N 1 0 346.431 2.714 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418477881 312360080 /nfs/dbraw/zinc/36/00/80/312360080.db2.gz YQUUOVDYNHJUTM-CQSZACIVSA-N 1 0 334.420 2.786 20 5 EFBDRO C[C@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[NH2+]C1 ZINC000418512198 312360544 /nfs/dbraw/zinc/36/05/44/312360544.db2.gz DUXFOCOZTQYOSM-SFHVURJKSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420578958 312372848 /nfs/dbraw/zinc/37/28/48/312372848.db2.gz ABDBFMGUHHMNBR-MGPQQGTHSA-N 1 0 346.431 2.535 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000420579609 312373482 /nfs/dbraw/zinc/37/34/82/312373482.db2.gz BGCHSMOREIELPV-HNNXBMFYSA-N 1 0 334.420 2.616 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCCCCC[NH+]1CCCCC1 ZINC000420592520 312374667 /nfs/dbraw/zinc/37/46/67/312374667.db2.gz AYONMRYZFQDDHO-UHFFFAOYSA-N 1 0 334.420 2.762 20 5 EFBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000420606143 312375329 /nfs/dbraw/zinc/37/53/29/312375329.db2.gz WRBAXLOJMGQVLO-ZDUSSCGKSA-N 1 0 342.399 2.626 20 5 EFBDRO Cc1c(Br)c(N(C)C[C@@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420641060 312377889 /nfs/dbraw/zinc/37/78/89/312377889.db2.gz UHPSAGBIUSPMKO-JTQLQIEISA-N 1 0 343.225 2.591 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000420795391 312391913 /nfs/dbraw/zinc/39/19/13/312391913.db2.gz LUPUGYCVAFUJIS-KRWDZBQOSA-N 1 0 348.447 2.653 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423469270 312420931 /nfs/dbraw/zinc/42/09/31/312420931.db2.gz OTKZBTIJDVUMLN-ZJUUUORDSA-N 1 0 343.836 2.536 20 5 EFBDRO Cn1ccnc1[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423472398 312421693 /nfs/dbraw/zinc/42/16/93/312421693.db2.gz FVFHUVXNFSZWLB-WBVHZDCISA-N 1 0 343.431 2.540 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423515530 312428060 /nfs/dbraw/zinc/42/80/60/312428060.db2.gz ADOCOZZFSHWFGJ-INIZCTEOSA-N 1 0 335.429 2.532 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000423695484 312444473 /nfs/dbraw/zinc/44/44/73/312444473.db2.gz LFNAHPOFFNIBGN-UHFFFAOYSA-N 1 0 331.416 2.934 20 5 EFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833294 312465981 /nfs/dbraw/zinc/46/59/81/312465981.db2.gz BHACXJZVFZKPRD-SWLSCSKDSA-N 1 0 325.796 2.772 20 5 EFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423849062 312470527 /nfs/dbraw/zinc/47/05/27/312470527.db2.gz QCZYQOHYFAAGJE-HZMBPMFUSA-N 1 0 325.796 2.772 20 5 EFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423966687 312490902 /nfs/dbraw/zinc/49/09/02/312490902.db2.gz ZXMJWQZJVGOHIA-ZANVPECISA-N 1 0 343.811 2.505 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000423969854 312491583 /nfs/dbraw/zinc/49/15/83/312491583.db2.gz FGFOYFYWAHTLMH-INIZCTEOSA-N 1 0 327.384 2.516 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423977416 312493554 /nfs/dbraw/zinc/49/35/54/312493554.db2.gz VTDXHKOKGVBSIX-HNNXBMFYSA-N 1 0 343.383 2.570 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424041672 312501919 /nfs/dbraw/zinc/50/19/19/312501919.db2.gz OILRJKIVUHJFML-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO Cc1sc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000424046042 312502715 /nfs/dbraw/zinc/50/27/15/312502715.db2.gz RIURSPXVEUSAHS-UHFFFAOYSA-N 1 0 349.456 2.848 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424050362 312503347 /nfs/dbraw/zinc/50/33/47/312503347.db2.gz CQENNHMNEKTNSP-FRRDWIJNSA-N 1 0 337.445 2.519 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424061017 312505464 /nfs/dbraw/zinc/50/54/64/312505464.db2.gz XHCAYUHHJUIKOB-RBSFLKMASA-N 1 0 348.447 2.619 20 5 EFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000438571734 312620465 /nfs/dbraw/zinc/62/04/65/312620465.db2.gz MOWBSBSTSDIEIU-UHFFFAOYSA-N 1 0 328.372 2.533 20 5 EFBDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447510596 312678286 /nfs/dbraw/zinc/67/82/86/312678286.db2.gz IWVGWLINBXISKI-CVEARBPZSA-N 1 0 346.435 2.768 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449360837 312689308 /nfs/dbraw/zinc/68/93/08/312689308.db2.gz JSSOOYATKTZTEY-SUMWQHHRSA-N 1 0 332.375 2.858 20 5 EFBDRO Cc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000450412234 312693250 /nfs/dbraw/zinc/69/32/50/312693250.db2.gz ZEADMJVKAXOXCA-UHFFFAOYSA-N 1 0 333.436 2.786 20 5 EFBDRO CNC(=O)c1ccc(N[C@@H](CC(C)C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450595310 312717248 /nfs/dbraw/zinc/71/72/48/312717248.db2.gz MEUFTLYKDDRHEJ-HNNXBMFYSA-N 1 0 348.447 2.877 20 5 EFBDRO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450873092 312764201 /nfs/dbraw/zinc/76/42/01/312764201.db2.gz CPJCKUIXFJRMFC-KRWDZBQOSA-N 1 0 344.415 2.686 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453394870 312897966 /nfs/dbraw/zinc/89/79/66/312897966.db2.gz JGNTWSYBPIWRLA-NOLJZWGESA-N 1 0 330.388 2.899 20 5 EFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000453575018 312910885 /nfs/dbraw/zinc/91/08/85/312910885.db2.gz KCBMNANHRODHIF-IAGOWNOFSA-N 1 0 338.411 2.916 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000458199228 313083354 /nfs/dbraw/zinc/08/33/54/313083354.db2.gz UMVYTSZCHZBBRC-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO C[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000458226496 313088100 /nfs/dbraw/zinc/08/81/00/313088100.db2.gz SKUBVWYFWUVWCT-OLZOCXBDSA-N 1 0 337.395 2.686 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000470172183 313129036 /nfs/dbraw/zinc/12/90/36/313129036.db2.gz SRQNBKJSNQOVTN-KAMYIIQDSA-N 1 0 343.427 2.989 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000470172184 313129218 /nfs/dbraw/zinc/12/92/18/313129218.db2.gz SRQNBKJSNQOVTN-SDNWHVSQSA-N 1 0 343.427 2.989 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000470211304 313130106 /nfs/dbraw/zinc/13/01/06/313130106.db2.gz HJEPYSBFBLLSOU-KMPOOHAWSA-N 1 0 347.459 2.775 20 5 EFBDRO COc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000474906313 313213546 /nfs/dbraw/zinc/21/35/46/313213546.db2.gz DCPVYVNUKSAZRL-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000475452171 313222846 /nfs/dbraw/zinc/22/28/46/313222846.db2.gz IOGIAZLUSQQKPJ-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000475452172 313223165 /nfs/dbraw/zinc/22/31/65/313223165.db2.gz IOGIAZLUSQQKPJ-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000484846812 313324198 /nfs/dbraw/zinc/32/41/98/313324198.db2.gz LMPZQDADODTKER-IPMKNSEASA-N 1 0 347.459 2.664 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486472637 313338296 /nfs/dbraw/zinc/33/82/96/313338296.db2.gz UBMJJJWNKGVECX-PBHICJAKSA-N 1 0 348.447 2.946 20 5 EFBDRO CCOc1cc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000486976945 313354863 /nfs/dbraw/zinc/35/48/63/313354863.db2.gz ZUMDFYCVNNRCKW-HNNXBMFYSA-N 1 0 325.434 2.843 20 5 EFBDRO CC(C)[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487094974 313365446 /nfs/dbraw/zinc/36/54/46/313365446.db2.gz CCWDURQFVJLKPJ-LBPRGKRZSA-N 1 0 343.225 2.529 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487160386 313371335 /nfs/dbraw/zinc/37/13/35/313371335.db2.gz XZBCFXOGUIFIMG-CZUORRHYSA-N 1 0 334.420 2.637 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)n(C)c1=O ZINC000487183781 313373946 /nfs/dbraw/zinc/37/39/46/313373946.db2.gz XAPKSZCTUHJQBM-LCYFTJDESA-N 1 0 327.384 2.795 20 5 EFBDRO CC[C@H]1CN(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000487190900 313374729 /nfs/dbraw/zinc/37/47/29/313374729.db2.gz RLQZKOLGLGLVSV-INIZCTEOSA-N 1 0 335.448 2.919 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000490669975 313666623 /nfs/dbraw/zinc/66/66/23/313666623.db2.gz YIQUVXBDUYPMSR-BQYQJAHWSA-N 1 0 331.416 2.939 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491956580 313822707 /nfs/dbraw/zinc/82/27/07/313822707.db2.gz BFBFXWRZIJKQSM-SOFGYWHQSA-N 1 0 335.379 2.690 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492261045 313927527 /nfs/dbraw/zinc/92/75/27/313927527.db2.gz DGSUUZBLVSFURF-YVMONPNESA-N 1 0 329.400 2.695 20 5 EFBDRO Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799323 314130207 /nfs/dbraw/zinc/13/02/07/314130207.db2.gz LPMWSVVAWSNTAI-QWGSZXSUSA-N 1 0 326.356 2.609 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000492803912 314132451 /nfs/dbraw/zinc/13/24/51/314132451.db2.gz WASZIXUZIDILLL-WHLNPGIBSA-N 1 0 343.427 2.941 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492920868 314177596 /nfs/dbraw/zinc/17/75/96/314177596.db2.gz KIQDGGPMQLZSGG-TZDXQJPWSA-N 1 0 347.390 2.832 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000492922253 314178320 /nfs/dbraw/zinc/17/83/20/314178320.db2.gz MXXFZJISGOHCRB-TXSJAIKKSA-N 1 0 343.427 2.797 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492922712 314178879 /nfs/dbraw/zinc/17/88/79/314178879.db2.gz GRESIPNBNGXRNK-UQXCZLMFSA-N 1 0 347.390 2.832 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493042157 314221123 /nfs/dbraw/zinc/22/11/23/314221123.db2.gz BICJVDLFUBKWSS-BQUHIEPJSA-N 1 0 329.400 2.599 20 5 EFBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000493046048 314222091 /nfs/dbraw/zinc/22/20/91/314222091.db2.gz DBLVTFSQKHBCFP-CZUORRHYSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000493122656 314249072 /nfs/dbraw/zinc/24/90/72/314249072.db2.gz UABNLMZQZHNEAR-GEXIGZQTSA-N 1 0 329.400 2.599 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493141719 314255504 /nfs/dbraw/zinc/25/55/04/314255504.db2.gz SGIWHQBBXCKRGS-DKFQHHCZSA-N 1 0 343.427 2.845 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000493170121 314264953 /nfs/dbraw/zinc/26/49/53/314264953.db2.gz XEIKCOPDEYEYAA-GNJLHFKMSA-N 1 0 329.400 2.552 20 5 EFBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000493213608 314278830 /nfs/dbraw/zinc/27/88/30/314278830.db2.gz DXLVAGUBNHOXFH-PGXISHIXSA-N 1 0 347.390 2.595 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000493213610 314278887 /nfs/dbraw/zinc/27/88/87/314278887.db2.gz DXLVAGUBNHOXFH-VASHYATMSA-N 1 0 347.390 2.595 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000493331723 314318776 /nfs/dbraw/zinc/31/87/76/314318776.db2.gz ZTYGGKIKBATCAZ-FPLPWBNLSA-N 1 0 329.400 2.741 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493456713 314363840 /nfs/dbraw/zinc/36/38/40/314363840.db2.gz SPUOXTIGODHKBC-WOLRVDTOSA-N 1 0 337.807 2.814 20 5 EFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493456707 314363889 /nfs/dbraw/zinc/36/38/89/314363889.db2.gz SPUOXTIGODHKBC-CFNZNRNTSA-N 1 0 337.807 2.814 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000493487201 314374026 /nfs/dbraw/zinc/37/40/26/314374026.db2.gz MHTFAJDYZSOVMU-HPFMTEOYSA-N 1 0 329.400 2.552 20 5 EFBDRO CSC1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000493559621 314400620 /nfs/dbraw/zinc/40/06/20/314400620.db2.gz WMAYHRGFCFIILO-SREVYHEPSA-N 1 0 349.456 2.552 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000493683461 314443812 /nfs/dbraw/zinc/44/38/12/314443812.db2.gz CELRCFFEMUMCSU-DXTPNHAXSA-N 1 0 347.390 2.738 20 5 EFBDRO C[NH+](C)C/C=C/C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000493759964 314470301 /nfs/dbraw/zinc/47/03/01/314470301.db2.gz RYABGMHBVHYHMB-WXJAXGNASA-N 1 0 349.284 2.571 20 5 EFBDRO CC[C@@H]1CN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000494459335 314591207 /nfs/dbraw/zinc/59/12/07/314591207.db2.gz XHNRJDPZJYMKRE-SJLPKXTDSA-N 1 0 333.432 2.673 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495567056 314759052 /nfs/dbraw/zinc/75/90/52/314759052.db2.gz SKVTUXPVYSELOY-DGCLKSJQSA-N 1 0 339.367 2.690 20 5 EFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000496621551 315134297 /nfs/dbraw/zinc/13/42/97/315134297.db2.gz HCNIFFYQAKQAPZ-UHFFFAOYSA-N 1 0 348.403 2.695 20 5 EFBDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000514789094 315563001 /nfs/dbraw/zinc/56/30/01/315563001.db2.gz VQKIGDCIBAUZCM-HZSPNIEDSA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000515531764 315625565 /nfs/dbraw/zinc/62/55/65/315625565.db2.gz VEMFCOPUWOPRMC-MLGOLLRUSA-N 1 0 331.416 2.892 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000516088000 315652957 /nfs/dbraw/zinc/65/29/57/315652957.db2.gz GJLJSWZYOHXGRT-UONOGXRCSA-N 1 0 334.420 2.840 20 5 EFBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516276848 315669130 /nfs/dbraw/zinc/66/91/30/315669130.db2.gz OCUPQCUHTNCSBM-JKSUJKDBSA-N 1 0 340.445 2.783 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000519636339 315888186 /nfs/dbraw/zinc/88/81/86/315888186.db2.gz DJOQGQCGZSOLQI-JYYAWHABSA-N 1 0 334.416 2.893 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000520318718 315946324 /nfs/dbraw/zinc/94/63/24/315946324.db2.gz DTTQXALRRTUBQE-UHFFFAOYSA-N 1 0 346.387 2.516 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000520425046 315956515 /nfs/dbraw/zinc/95/65/15/315956515.db2.gz IVBBEARZOATDOW-LSDHHAIUSA-N 1 0 331.372 2.541 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000522203295 316079838 /nfs/dbraw/zinc/07/98/38/316079838.db2.gz KGZDGBFGHBNBDQ-OAHLLOKOSA-N 1 0 349.431 2.527 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)cn1 ZINC000522444282 316091223 /nfs/dbraw/zinc/09/12/23/316091223.db2.gz MBPBWSRWJQCUCT-UHFFFAOYSA-N 1 0 338.411 2.801 20 5 EFBDRO CNc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522476797 316092336 /nfs/dbraw/zinc/09/23/36/316092336.db2.gz SNLPARIESZUFEH-HNNXBMFYSA-N 1 0 336.436 2.733 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524040666 316145278 /nfs/dbraw/zinc/14/52/78/316145278.db2.gz OJJONJQJXHOPCD-CQSZACIVSA-N 1 0 329.356 2.651 20 5 EFBDRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000524971301 316183441 /nfs/dbraw/zinc/18/34/41/316183441.db2.gz KPXVXIDPXHYNLH-AWEZNQCLSA-N 1 0 330.384 2.986 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000525354194 316211586 /nfs/dbraw/zinc/21/15/86/316211586.db2.gz DXMABBMMSMPTHX-HNNXBMFYSA-N 1 0 348.447 2.653 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525985668 316269367 /nfs/dbraw/zinc/26/93/67/316269367.db2.gz WMTMBTLHDOXIPZ-HEHGZKQESA-N 1 0 336.388 2.541 20 5 EFBDRO COc1ccc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000530626439 317157291 /nfs/dbraw/zinc/15/72/91/317157291.db2.gz FGTARLFDIPELND-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000530865683 317188752 /nfs/dbraw/zinc/18/87/52/317188752.db2.gz MQKYDSHUPCEWHY-CQSZACIVSA-N 1 0 330.388 2.544 20 5 EFBDRO COc1ccc(OCC[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000530925375 317197172 /nfs/dbraw/zinc/19/71/72/317197172.db2.gz UZFYSBZNHLEETM-UHFFFAOYSA-N 1 0 338.404 2.872 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768711 317310907 /nfs/dbraw/zinc/31/09/07/317310907.db2.gz GURPQTJBMQOIGG-LSDHHAIUSA-N 1 0 332.400 2.950 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768707 317311113 /nfs/dbraw/zinc/31/11/13/317311113.db2.gz GURPQTJBMQOIGG-GJZGRUSLSA-N 1 0 332.400 2.950 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)C1CC1 ZINC000532024836 317344326 /nfs/dbraw/zinc/34/43/26/317344326.db2.gz DKTMXDVOKDUJAE-KSSFIOAISA-N 1 0 344.411 2.950 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000532233739 317372822 /nfs/dbraw/zinc/37/28/22/317372822.db2.gz VGUJMZVLUMPXCI-TUKIKUTGSA-N 1 0 335.404 2.715 20 5 EFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532239559 317373477 /nfs/dbraw/zinc/37/34/77/317373477.db2.gz DFFVJADCOXIXEN-BFHYXJOUSA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000532453081 317403417 /nfs/dbraw/zinc/40/34/17/317403417.db2.gz URAMVSZFTFFMCN-CABCVRRESA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000533478398 317507063 /nfs/dbraw/zinc/50/70/63/317507063.db2.gz MPVVDTLDZRLVFG-JTQLQIEISA-N 1 0 345.321 2.828 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CCCO ZINC000540137154 317739970 /nfs/dbraw/zinc/73/99/70/317739970.db2.gz LRSRXRSFPYVTEM-CYBMUJFWSA-N 1 0 337.420 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000541566268 317780985 /nfs/dbraw/zinc/78/09/85/317780985.db2.gz JJTCZRZHKHGBJI-UHFFFAOYSA-N 1 0 348.321 2.929 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCCCC1 ZINC000542136337 317803979 /nfs/dbraw/zinc/80/39/79/317803979.db2.gz FLEGOLSHZVQHIH-AWEZNQCLSA-N 1 0 349.431 2.987 20 5 EFBDRO CCc1nncn1CC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000545265382 317915448 /nfs/dbraw/zinc/91/54/48/317915448.db2.gz SVABLNBNCDBGRT-ZDUSSCGKSA-N 1 0 349.460 2.909 20 5 EFBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000545474680 317926033 /nfs/dbraw/zinc/92/60/33/317926033.db2.gz BSGGPUKGJDDZHM-GOEBONIOSA-N 1 0 343.431 2.984 20 5 EFBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000548297272 318091284 /nfs/dbraw/zinc/09/12/84/318091284.db2.gz TYDJAFAVOVWXLO-UHFFFAOYSA-N 1 0 336.436 2.660 20 5 EFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000548722686 318136326 /nfs/dbraw/zinc/13/63/26/318136326.db2.gz VTUAPMIHYNPOSC-UHFFFAOYSA-N 1 0 332.322 2.963 20 5 EFBDRO CCc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000549193493 318168375 /nfs/dbraw/zinc/16/83/75/318168375.db2.gz KFRJQIGEOBNIBX-ZDUSSCGKSA-N 1 0 336.413 2.748 20 5 EFBDRO Cc1ccc2nc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000551538140 318209754 /nfs/dbraw/zinc/20/97/54/318209754.db2.gz QNIZNQHKUBYCFV-UHFFFAOYSA-N 1 0 326.356 2.720 20 5 EFBDRO CNc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000553526365 318286296 /nfs/dbraw/zinc/28/62/96/318286296.db2.gz TZHHSQIVKDIXGL-CYBMUJFWSA-N 1 0 346.431 2.583 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[C@@H](CO)C2)n1 ZINC000554402274 318311246 /nfs/dbraw/zinc/31/12/46/318311246.db2.gz MQTWRIGBULJLSI-FZKCQIBNSA-N 1 0 336.436 2.663 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000554692318 318333075 /nfs/dbraw/zinc/33/30/75/318333075.db2.gz SBAXAMKSOUOOJH-JTQLQIEISA-N 1 0 345.241 2.707 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](C(C)C)CC1 ZINC000557476716 318438145 /nfs/dbraw/zinc/43/81/45/318438145.db2.gz DPYYLPMHMMOYLM-UHFFFAOYSA-N 1 0 335.404 2.975 20 5 EFBDRO COc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000558574118 318475537 /nfs/dbraw/zinc/47/55/37/318475537.db2.gz DDTOYYAXICFTEX-UHFFFAOYSA-N 1 0 343.383 2.764 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000558752140 318490892 /nfs/dbraw/zinc/49/08/92/318490892.db2.gz DEDAFQJUGSDIKM-OAHLLOKOSA-N 1 0 342.351 2.871 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000558757168 318491288 /nfs/dbraw/zinc/49/12/88/318491288.db2.gz YVCUNZKWYIXGTL-UHFFFAOYSA-N 1 0 338.367 2.949 20 5 EFBDRO O=C(NCC[NH2+]C1CCCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000561152580 318589997 /nfs/dbraw/zinc/58/99/97/318589997.db2.gz KISNNLHAKJCJFW-UHFFFAOYSA-N 1 0 334.420 2.706 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000561466920 318604259 /nfs/dbraw/zinc/60/42/59/318604259.db2.gz ARIBFBNELKLXTK-CSMYWGQOSA-N 1 0 349.431 2.963 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562300325 318632440 /nfs/dbraw/zinc/63/24/40/318632440.db2.gz KFEWPJKDSSJQKI-YOEHRIQHSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C(NCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000562761144 318696854 /nfs/dbraw/zinc/69/68/54/318696854.db2.gz RZBZJTBVAUSWCA-UHFFFAOYSA-N 1 0 346.309 2.735 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC000563633557 318805732 /nfs/dbraw/zinc/80/57/32/318805732.db2.gz APRRBRLVOFUPMO-MRXNPFEDSA-N 1 0 339.399 2.631 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000564469410 318865214 /nfs/dbraw/zinc/86/52/14/318865214.db2.gz DYNGCGXCVXEPRE-AWEZNQCLSA-N 1 0 339.823 2.939 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000564792528 318891968 /nfs/dbraw/zinc/89/19/68/318891968.db2.gz JTGNEGZWEVFIJS-MAUKXSAKSA-N 1 0 346.358 2.751 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2ccccc2F)c1 ZINC000564863409 318902354 /nfs/dbraw/zinc/90/23/54/318902354.db2.gz GSZNCWRJDTZNNI-MRXNPFEDSA-N 1 0 348.374 2.696 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217511 318947992 /nfs/dbraw/zinc/94/79/92/318947992.db2.gz LZWOEVSQWVCESN-CXAGYDPISA-N 1 0 339.395 2.877 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000565828651 319006285 /nfs/dbraw/zinc/00/62/85/319006285.db2.gz XXRNVZWECPXGNZ-KRWDZBQOSA-N 1 0 330.384 2.687 20 5 EFBDRO CCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000566114135 319034650 /nfs/dbraw/zinc/03/46/50/319034650.db2.gz ATASQGVRXRAFKM-UHFFFAOYSA-N 1 0 340.445 2.929 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CSc2ccccc21 ZINC000566116010 319034917 /nfs/dbraw/zinc/03/49/17/319034917.db2.gz MXBSKAXMMMVRAX-GXTWGEPZSA-N 1 0 346.408 2.771 20 5 EFBDRO O=C(CC[NH2+]C[C@H]1CCOC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566121348 319035987 /nfs/dbraw/zinc/03/59/87/319035987.db2.gz DUZQKGYGESDVPD-AWEZNQCLSA-N 1 0 347.415 2.862 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000566500789 319084522 /nfs/dbraw/zinc/08/45/22/319084522.db2.gz QWCRABQRBIYVRR-HOTGVXAUSA-N 1 0 331.416 2.926 20 5 EFBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000567465770 319174444 /nfs/dbraw/zinc/17/44/44/319174444.db2.gz JNHXCKRTIAGFRO-SJLPKXTDSA-N 1 0 344.415 2.553 20 5 EFBDRO CCc1nc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000567697167 319199543 /nfs/dbraw/zinc/19/95/43/319199543.db2.gz QMZAMJCCIIPITL-UHFFFAOYSA-N 1 0 332.360 2.572 20 5 EFBDRO C[C@H]1C[C@H](C)CN(c2ccc(-c3nc(CN)no3)cc2[N+](=O)[O-])C1 ZINC000567849845 319217518 /nfs/dbraw/zinc/21/75/18/319217518.db2.gz JFRSPYRWZPMVCC-QWRGUYRKSA-N 1 0 331.376 2.586 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905252 319224546 /nfs/dbraw/zinc/22/45/46/319224546.db2.gz NRIUUDKGPQOAKM-KOLCDFICSA-N 1 0 346.330 2.514 20 5 EFBDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000568589255 319296762 /nfs/dbraw/zinc/29/67/62/319296762.db2.gz CLCNOMZDWUXESN-CABCVRRESA-N 1 0 344.419 2.526 20 5 EFBDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000568589259 319297186 /nfs/dbraw/zinc/29/71/86/319297186.db2.gz CLCNOMZDWUXESN-GJZGRUSLSA-N 1 0 344.419 2.526 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000568768145 319317392 /nfs/dbraw/zinc/31/73/92/319317392.db2.gz HVSFHDOSMKJZCN-CQSZACIVSA-N 1 0 336.436 2.945 20 5 EFBDRO CC(C)N1CCO[C@H](c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000568916275 319330203 /nfs/dbraw/zinc/33/02/03/319330203.db2.gz KMDZKKFAWFCFPC-DOMZBBRYSA-N 1 0 346.387 2.911 20 5 EFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000569352055 319372955 /nfs/dbraw/zinc/37/29/55/319372955.db2.gz DGRQFUYALKUFLD-KRWDZBQOSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc1C ZINC000569568912 319392713 /nfs/dbraw/zinc/39/27/13/319392713.db2.gz RXOBIEXRNXQSOB-UHFFFAOYSA-N 1 0 328.372 2.725 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570653618 319498134 /nfs/dbraw/zinc/49/81/34/319498134.db2.gz XFKJIURFKHSXEB-QGZVFWFLSA-N 1 0 339.395 2.774 20 5 EFBDRO C[NH+](C)CCc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000571102500 319542298 /nfs/dbraw/zinc/54/22/98/319542298.db2.gz NQXWGTYZQACSFY-UHFFFAOYSA-N 1 0 341.411 2.671 20 5 EFBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000571633630 319592496 /nfs/dbraw/zinc/59/24/96/319592496.db2.gz RAMFQWFLIUNVDZ-NSHDSACASA-N 1 0 337.807 2.852 20 5 EFBDRO C[NH+](C)CCCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000573305140 319752632 /nfs/dbraw/zinc/75/26/32/319752632.db2.gz PNQGYASZHUJNIV-UHFFFAOYSA-N 1 0 347.337 2.962 20 5 EFBDRO C[C@H](CCc1ccco1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574150871 319834664 /nfs/dbraw/zinc/83/46/64/319834664.db2.gz HLDMTSLPBHQLLE-KGLIPLIRSA-N 1 0 334.372 2.538 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576829507 320052906 /nfs/dbraw/zinc/05/29/06/320052906.db2.gz CRRNPZHLQXAVPB-SJKOYZFVSA-N 1 0 343.427 2.918 20 5 EFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576829506 320052945 /nfs/dbraw/zinc/05/29/45/320052945.db2.gz CRRNPZHLQXAVPB-SJCJKPOMSA-N 1 0 343.427 2.918 20 5 EFBDRO C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577017472 320069679 /nfs/dbraw/zinc/06/96/79/320069679.db2.gz KCQLJZVNKDPJAD-UKRRQHHQSA-N 1 0 334.372 2.538 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000577033703 320070223 /nfs/dbraw/zinc/07/02/23/320070223.db2.gz JPJWPBCTSUECFA-ZDUSSCGKSA-N 1 0 344.415 2.716 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000577564244 320121164 /nfs/dbraw/zinc/12/11/64/320121164.db2.gz COBLIAISHZYIES-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO CN(C(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000577865701 320152984 /nfs/dbraw/zinc/15/29/84/320152984.db2.gz KMMCCJRFTUIEFR-INIZCTEOSA-N 1 0 331.416 2.963 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577963418 320160692 /nfs/dbraw/zinc/16/06/92/320160692.db2.gz ZCIPBBRCQFIIEN-KBXCAEBGSA-N 1 0 342.395 2.920 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000578316675 320194280 /nfs/dbraw/zinc/19/42/80/320194280.db2.gz FJRDBDDSHPYOLY-SNVBAGLBSA-N 1 0 326.702 2.694 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000578741248 320234478 /nfs/dbraw/zinc/23/44/78/320234478.db2.gz NFECMDIENCURHY-OWCLPIDISA-N 1 0 346.358 2.619 20 5 EFBDRO O=C(CC[NH2+]C[C@@H](CO)CC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578770016 320238300 /nfs/dbraw/zinc/23/83/00/320238300.db2.gz HTXOUHFGAHCJQE-HNNXBMFYSA-N 1 0 349.431 2.702 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC000181820077 323252384 /nfs/dbraw/zinc/25/23/84/323252384.db2.gz KMMXVMXEZFCCOB-ZDUSSCGKSA-N 1 0 338.367 2.762 20 5 EFBDRO O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000182015629 323259203 /nfs/dbraw/zinc/25/92/03/323259203.db2.gz ZOFREMLZHHWCBR-UHFFFAOYSA-N 1 0 339.395 2.990 20 5 EFBDRO CC(C)(C)C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000182083647 323263577 /nfs/dbraw/zinc/26/35/77/323263577.db2.gz KCSSRIUUIGBBNN-CQSZACIVSA-N 1 0 326.441 2.546 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000182281492 323274188 /nfs/dbraw/zinc/27/41/88/323274188.db2.gz RCRCGOYTIZJTHW-CZUORRHYSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182326223 323277170 /nfs/dbraw/zinc/27/71/70/323277170.db2.gz JAWUZHSHERDTBI-ZIAGYGMSSA-N 1 0 332.360 2.692 20 5 EFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000182369410 323279479 /nfs/dbraw/zinc/27/94/79/323279479.db2.gz RORDTRJZDNYYOT-HOCLYGCPSA-N 1 0 335.404 2.779 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182367237 323279635 /nfs/dbraw/zinc/27/96/35/323279635.db2.gz JBXSDEGMBBMWMN-SMDDNHRTSA-N 1 0 341.795 2.734 20 5 EFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182389000 323280111 /nfs/dbraw/zinc/28/01/11/323280111.db2.gz XFZBJPNIIGWTDD-ZBFHGGJFSA-N 1 0 349.387 2.680 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000182388963 323280190 /nfs/dbraw/zinc/28/01/90/323280190.db2.gz XFZBJPNIIGWTDD-HOCLYGCPSA-N 1 0 349.387 2.680 20 5 EFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183664886 323345048 /nfs/dbraw/zinc/34/50/48/323345048.db2.gz ZFWWJNJAQHDHAS-KRWDZBQOSA-N 1 0 347.390 2.753 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184750392 323373351 /nfs/dbraw/zinc/37/33/51/323373351.db2.gz TUCRZOGJZVLKMX-GFCCVEGCSA-N 1 0 325.384 2.686 20 5 EFBDRO C[C@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000184972600 323378896 /nfs/dbraw/zinc/37/88/96/323378896.db2.gz KLYUDMWGVDMZOB-CQSZACIVSA-N 1 0 334.420 2.659 20 5 EFBDRO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000185033191 323381343 /nfs/dbraw/zinc/38/13/43/323381343.db2.gz RXFDUCRVFNJZLG-CHWSQXEVSA-N 1 0 337.395 2.686 20 5 EFBDRO C[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185489971 323391342 /nfs/dbraw/zinc/39/13/42/323391342.db2.gz CKXCDZPCANFWPB-NEPJUHHUSA-N 1 0 339.411 2.930 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000192902273 323483429 /nfs/dbraw/zinc/48/34/29/323483429.db2.gz QWLRJUZCTPAKMX-MRXNPFEDSA-N 1 0 327.384 2.936 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000296839921 323645192 /nfs/dbraw/zinc/64/51/92/323645192.db2.gz BTMATYRYPAYTBH-UONOGXRCSA-N 1 0 349.387 2.752 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000296861362 323656136 /nfs/dbraw/zinc/65/61/36/323656136.db2.gz DHXKWBJHGBLPPT-GOEBONIOSA-N 1 0 343.358 2.691 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000580554014 324187250 /nfs/dbraw/zinc/18/72/50/324187250.db2.gz LXZZHFBWILEAJF-IVMMDQJWSA-N 1 0 346.358 2.619 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000580590461 324194745 /nfs/dbraw/zinc/19/47/45/324194745.db2.gz CEQKXEUGQCQQES-MJBXVCDLSA-N 1 0 335.404 2.574 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000580628626 324201271 /nfs/dbraw/zinc/20/12/71/324201271.db2.gz MSEMYBHTXYWDQH-GWCFXTLKSA-N 1 0 344.337 2.929 20 5 EFBDRO CCn1nc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000581186216 324322372 /nfs/dbraw/zinc/32/23/72/324322372.db2.gz NISZTZYXWCNZSR-UHFFFAOYSA-N 1 0 345.403 2.546 20 5 EFBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000581380047 324365315 /nfs/dbraw/zinc/36/53/15/324365315.db2.gz GFPHXMZCRBCZKE-UABRLCRWSA-N 1 0 343.427 2.845 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000582660951 324641778 /nfs/dbraw/zinc/64/17/78/324641778.db2.gz NCQAXASGDBEARH-JKSUJKDBSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000582660948 324642050 /nfs/dbraw/zinc/64/20/50/324642050.db2.gz NCQAXASGDBEARH-HOTGVXAUSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC000583574553 324835626 /nfs/dbraw/zinc/83/56/26/324835626.db2.gz CGZVUMNYFQIPMC-CQSZACIVSA-N 1 0 330.413 2.717 20 5 EFBDRO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000583805909 324874765 /nfs/dbraw/zinc/87/47/65/324874765.db2.gz HKVKHIFGVYMKPA-HZPDHXFCSA-N 1 0 335.452 2.739 20 5 EFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000161098753 473205960 /nfs/dbraw/zinc/20/59/60/473205960.db2.gz HVIOYBBVDBBFGB-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000070543543 472500516 /nfs/dbraw/zinc/50/05/16/472500516.db2.gz NDFDXJVHJMKRDW-UWVGGRQHSA-N 1 0 328.210 2.921 20 5 EFBDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000081520799 473213931 /nfs/dbraw/zinc/21/39/31/473213931.db2.gz VFNNZCDCOITMMT-KBPBESRZSA-N 1 0 335.404 2.589 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000161188650 473216226 /nfs/dbraw/zinc/21/62/26/473216226.db2.gz VLTIXTOJLMUWRE-UHFFFAOYSA-N 1 0 328.372 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161399722 473232491 /nfs/dbraw/zinc/23/24/91/473232491.db2.gz XFTFDYJPUUXYFH-CQSZACIVSA-N 1 0 327.388 2.512 20 5 EFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081632088 473236539 /nfs/dbraw/zinc/23/65/39/473236539.db2.gz IDDXKIXTWBLEKR-INIZCTEOSA-N 1 0 333.432 2.637 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000124456734 473248338 /nfs/dbraw/zinc/24/83/38/473248338.db2.gz LXOLWUSSVYJSFJ-ZDUSSCGKSA-N 1 0 337.395 2.832 20 5 EFBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000096004871 473252536 /nfs/dbraw/zinc/25/25/36/473252536.db2.gz BCJFZSZLBWTEFO-CQSZACIVSA-N 1 0 345.359 2.541 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000141236240 473252633 /nfs/dbraw/zinc/25/26/33/473252633.db2.gz YIFKXNGJYUGEBL-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141272972 473252905 /nfs/dbraw/zinc/25/29/05/473252905.db2.gz JBJYFSLRNYECPQ-UHFFFAOYSA-N 1 0 325.368 2.633 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000112310888 473254588 /nfs/dbraw/zinc/25/45/88/473254588.db2.gz UFHYGAPWPVRFQV-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO CCCC[N@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000112333555 473257143 /nfs/dbraw/zinc/25/71/43/473257143.db2.gz AJCGXSLIVDXGBC-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000176863802 473257569 /nfs/dbraw/zinc/25/75/69/473257569.db2.gz XIYPIJOZFZNRJT-HNNXBMFYSA-N 1 0 348.447 2.714 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000176863784 473257628 /nfs/dbraw/zinc/25/76/28/473257628.db2.gz XIYPIJOZFZNRJT-OAHLLOKOSA-N 1 0 348.447 2.714 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124538026 473258657 /nfs/dbraw/zinc/25/86/57/473258657.db2.gz CZXMVGODZSZHEH-UHFFFAOYSA-N 1 0 349.416 2.647 20 5 EFBDRO CC(C)[NH+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000124564267 473263885 /nfs/dbraw/zinc/26/38/85/473263885.db2.gz SQTUBOHFDUQSHP-UHFFFAOYSA-N 1 0 325.384 2.511 20 5 EFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000190427756 473270597 /nfs/dbraw/zinc/27/05/97/473270597.db2.gz IAVKOZWHDDXGOK-HOTGVXAUSA-N 1 0 330.388 2.821 20 5 EFBDRO CCc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000471922996 467981412 /nfs/dbraw/zinc/98/14/12/467981412.db2.gz WQYZZXMHMFPROB-UHFFFAOYSA-N 1 0 337.339 2.990 20 5 EFBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000081941374 473276492 /nfs/dbraw/zinc/27/64/92/473276492.db2.gz NFXWZMGSUUKBIN-UHFFFAOYSA-N 1 0 329.198 2.506 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000487651209 468048417 /nfs/dbraw/zinc/04/84/17/468048417.db2.gz XUQQAMQJLWILQP-TZMCWYRMSA-N 1 0 331.376 2.930 20 5 EFBDRO CN1CC[NH+](CCCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000518689674 468123270 /nfs/dbraw/zinc/12/32/70/468123270.db2.gz RUKHZWFPKXEWTI-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCc1ccccc1 ZINC000112698786 473296401 /nfs/dbraw/zinc/29/64/01/473296401.db2.gz UBZQSUOMTNLROV-UHFFFAOYSA-N 1 0 330.384 2.640 20 5 EFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000162047550 473298639 /nfs/dbraw/zinc/29/86/39/473298639.db2.gz FATGZAPOXQFTCW-INIZCTEOSA-N 1 0 336.436 2.619 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177134514 473313692 /nfs/dbraw/zinc/31/36/92/473313692.db2.gz OWEORFDEALYLPJ-CMPLNLGQSA-N 1 0 335.429 2.672 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000177186967 473327078 /nfs/dbraw/zinc/32/70/78/473327078.db2.gz RUIXTKNUMMHSMQ-ZFWWWQNUSA-N 1 0 335.429 2.554 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177186477 473327177 /nfs/dbraw/zinc/32/71/77/473327177.db2.gz LXQZNFCZYIJVNF-SMDDNHRTSA-N 1 0 344.415 2.524 20 5 EFBDRO CN(C(=O)CN(Cc1ccncc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000124926267 473327664 /nfs/dbraw/zinc/32/76/64/473327664.db2.gz NOBHYCIJNPJQFV-UHFFFAOYSA-N 1 0 340.383 2.617 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000083173715 473328081 /nfs/dbraw/zinc/32/80/81/473328081.db2.gz HEHXDWJFFKLZFW-AWEZNQCLSA-N 1 0 330.388 2.796 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000149614407 473329340 /nfs/dbraw/zinc/32/93/40/473329340.db2.gz JSMXMENRFYUYQW-KBPBESRZSA-N 1 0 348.447 2.665 20 5 EFBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162446066 473340473 /nfs/dbraw/zinc/34/04/73/473340473.db2.gz WKFXGTXVIHFLQV-VIFPVBQESA-N 1 0 345.193 2.598 20 5 EFBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112988746 473342829 /nfs/dbraw/zinc/34/28/29/473342829.db2.gz UNDJXWVKOKKOSI-KBPBESRZSA-N 1 0 335.404 2.589 20 5 EFBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000112996557 473345007 /nfs/dbraw/zinc/34/50/07/473345007.db2.gz QVHDRWGTOSEIOJ-KRWDZBQOSA-N 1 0 346.383 2.777 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)C(C)(C)C ZINC000185196854 473360444 /nfs/dbraw/zinc/36/04/44/473360444.db2.gz SSBADHXFNFMQAJ-SWLSCSKDSA-N 1 0 337.420 2.699 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150819700 473361631 /nfs/dbraw/zinc/36/16/31/473361631.db2.gz QFFZQVAFZATDEP-ZDUSSCGKSA-N 1 0 335.379 2.824 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000125141243 473363338 /nfs/dbraw/zinc/36/33/38/473363338.db2.gz CEJHHJPGNKOSSF-HNNXBMFYSA-N 1 0 337.395 2.513 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150849546 473366686 /nfs/dbraw/zinc/36/66/86/473366686.db2.gz YYOLXHKCBGNYJF-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185243343 473374370 /nfs/dbraw/zinc/37/43/70/473374370.db2.gz PWYYVGRQRBJEBX-MBNYWOFBSA-N 1 0 335.379 2.533 20 5 EFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000177419123 473374830 /nfs/dbraw/zinc/37/48/30/473374830.db2.gz FDHAFQOMSDUQEP-UHFFFAOYSA-N 1 0 335.379 2.871 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCCC[N@@H+]3C3CC3)c2c1 ZINC000617976655 469862692 /nfs/dbraw/zinc/86/26/92/469862692.db2.gz ISGVHRIRCQQFLD-AWEZNQCLSA-N 1 0 327.388 2.967 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000125286365 473387299 /nfs/dbraw/zinc/38/72/99/473387299.db2.gz GFJZDEQRIFAGAZ-ZBFHGGJFSA-N 1 0 329.400 2.570 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177505165 473390473 /nfs/dbraw/zinc/39/04/73/473390473.db2.gz CGCDZNGSYLHWLS-CHWSQXEVSA-N 1 0 339.823 2.780 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171448064 473391453 /nfs/dbraw/zinc/39/14/53/473391453.db2.gz PVFRZGKALOVDPS-DZGCQCFKSA-N 1 0 349.456 2.772 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000619727051 479867770 /nfs/dbraw/zinc/86/77/70/479867770.db2.gz BQJGZBZXJNBOMS-DANOYGIBSA-N 1 0 345.443 2.652 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccsc1 ZINC000619783830 479883715 /nfs/dbraw/zinc/88/37/15/479883715.db2.gz ZVUTXBVUMBJXIO-SNVBAGLBSA-N 1 0 335.385 2.954 20 5 EFBDRO C[C@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452042866 476792261 /nfs/dbraw/zinc/79/22/61/476792261.db2.gz GENHEMMYUJQZKQ-NTODXPRQSA-N 1 0 346.427 2.703 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000583184666 478784246 /nfs/dbraw/zinc/78/42/46/478784246.db2.gz DOTRPXIUBICWDB-SNVBAGLBSA-N 1 0 345.321 2.685 20 5 EFBDRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602579378 479407324 /nfs/dbraw/zinc/40/73/24/479407324.db2.gz ANUCBZUPEHJNRM-WBVHZDCISA-N 1 0 348.447 2.752 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593882956 479495817 /nfs/dbraw/zinc/49/58/17/479495817.db2.gz LWCAXYUCGURMJO-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3noc4ccccc43)CC2)n1 ZINC000593981870 479531500 /nfs/dbraw/zinc/53/15/00/479531500.db2.gz WCYNEAUSFFQIKM-UHFFFAOYSA-N 1 0 341.371 2.812 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362978 479889273 /nfs/dbraw/zinc/88/92/73/479889273.db2.gz MROCXCDJZRNSQM-MPKXVKKWSA-N 1 0 332.322 2.819 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603054 471554079 /nfs/dbraw/zinc/55/40/79/471554079.db2.gz XFEQPLYOXMIRKI-WBMJQRKESA-N 1 0 334.347 2.824 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000613235597 479931514 /nfs/dbraw/zinc/93/15/14/479931514.db2.gz FTKKMDXPPXPAPN-GDBMZVCRSA-N 1 0 333.432 2.716 20 5 EFBDRO CNc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000006983526 471582081 /nfs/dbraw/zinc/58/20/81/471582081.db2.gz JSKLXLFHCCUGGC-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000009982000 471724970 /nfs/dbraw/zinc/72/49/70/471724970.db2.gz OEKBVXFYAXLGKN-UHFFFAOYSA-N 1 0 327.384 2.847 20 5 EFBDRO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010442640 471736037 /nfs/dbraw/zinc/73/60/37/471736037.db2.gz LABJGTIDQZMSRV-MRXNPFEDSA-N 1 0 343.383 2.636 20 5 EFBDRO Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000015140602 471891416 /nfs/dbraw/zinc/89/14/16/471891416.db2.gz WOFHWQRGPMLALV-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000016599424 471942537 /nfs/dbraw/zinc/94/25/37/471942537.db2.gz OJNSMUKOUHGJPS-KRWDZBQOSA-N 1 0 327.384 2.556 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000067129543 471995394 /nfs/dbraw/zinc/99/53/94/471995394.db2.gz BJMXFVXWCXDQBJ-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000067160992 472000544 /nfs/dbraw/zinc/00/05/44/472000544.db2.gz WEAXZFHHPLLFSI-HNNXBMFYSA-N 1 0 333.413 2.997 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000067265337 472011632 /nfs/dbraw/zinc/01/16/32/472011632.db2.gz SABFORMCIOYTJT-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000022311926 472013334 /nfs/dbraw/zinc/01/33/34/472013334.db2.gz FMBBTLXQQNFHHJ-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO CNC(=O)c1ccc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053558071 472019360 /nfs/dbraw/zinc/01/93/60/472019360.db2.gz OTKBQBIWAQMHJD-OAHLLOKOSA-N 1 0 348.428 2.731 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000067361833 472023700 /nfs/dbraw/zinc/02/37/00/472023700.db2.gz JPIVJNJDTMVBCA-HNNXBMFYSA-N 1 0 343.383 2.830 20 5 EFBDRO Cc1noc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000053618412 472023823 /nfs/dbraw/zinc/02/38/23/472023823.db2.gz MVLLLBASTLLTJQ-UHFFFAOYSA-N 1 0 332.360 2.545 20 5 EFBDRO CNc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000039563804 472025476 /nfs/dbraw/zinc/02/54/76/472025476.db2.gz CHTJYSHOYVUGKK-UHFFFAOYSA-N 1 0 348.447 2.829 20 5 EFBDRO CNc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000023236884 472029970 /nfs/dbraw/zinc/02/99/70/472029970.db2.gz ROLWKNKTHJMBNU-UHFFFAOYSA-N 1 0 334.420 2.632 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000067548481 472047553 /nfs/dbraw/zinc/04/75/53/472047553.db2.gz HWNQKGPQORXBMW-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000024107991 472047560 /nfs/dbraw/zinc/04/75/60/472047560.db2.gz ZNSUHUVUJWFJTD-UHFFFAOYSA-N 1 0 340.427 2.825 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000067547243 472047986 /nfs/dbraw/zinc/04/79/86/472047986.db2.gz IIDNTAVHNUEBTJ-OAHLLOKOSA-N 1 0 349.412 2.698 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000054059737 472055392 /nfs/dbraw/zinc/05/53/92/472055392.db2.gz QZQKLJCRZIYIPX-OAHLLOKOSA-N 1 0 345.374 2.637 20 5 EFBDRO COc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000054286925 472073246 /nfs/dbraw/zinc/07/32/46/472073246.db2.gz BFSGMJBTTIOTDF-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725632 472079424 /nfs/dbraw/zinc/07/94/24/472079424.db2.gz IEQBBARNYREREV-HNNXBMFYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067724678 472079870 /nfs/dbraw/zinc/07/98/70/472079870.db2.gz UXTRHTXYHAOYHP-HUUCEWRRSA-N 1 0 348.447 2.762 20 5 EFBDRO CC(C)[NH+]1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000054360470 472079892 /nfs/dbraw/zinc/07/98/92/472079892.db2.gz MHCFAJKASLTNCX-UHFFFAOYSA-N 1 0 346.431 2.772 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025329449 472090460 /nfs/dbraw/zinc/09/04/60/472090460.db2.gz DKLFBBPSZYGXSS-OAHLLOKOSA-N 1 0 348.428 2.731 20 5 EFBDRO C[C@H](C1CC1)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000042123587 472116269 /nfs/dbraw/zinc/11/62/69/472116269.db2.gz DQYDBPBKIXMRJF-GFCCVEGCSA-N 1 0 329.400 2.747 20 5 EFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000067977085 472118289 /nfs/dbraw/zinc/11/82/89/472118289.db2.gz JKWHNXCRHYJZHT-QGZVFWFLSA-N 1 0 330.384 2.741 20 5 EFBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026161080 472125884 /nfs/dbraw/zinc/12/58/84/472125884.db2.gz LXRZNIIIXZFFTD-BETUJISGSA-N 1 0 335.404 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccco1 ZINC000026227526 472127976 /nfs/dbraw/zinc/12/79/76/472127976.db2.gz JSUNMBAUJGTUFF-UHFFFAOYSA-N 1 0 333.344 2.657 20 5 EFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000026476344 472138380 /nfs/dbraw/zinc/13/83/80/472138380.db2.gz WXMJDZFVWGJXIG-UKRRQHHQSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132616 472139268 /nfs/dbraw/zinc/13/92/68/472139268.db2.gz CNFXWWMVPQXMIL-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134788 472140688 /nfs/dbraw/zinc/14/06/88/472140688.db2.gz MWQJVOCKUCUZSW-QGZVFWFLSA-N 1 0 331.416 2.614 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000042507823 472140989 /nfs/dbraw/zinc/14/09/89/472140989.db2.gz SUDQXJPKGGOYMW-OAHLLOKOSA-N 1 0 348.447 2.504 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042537208 472143272 /nfs/dbraw/zinc/14/32/72/472143272.db2.gz JPDUWXHPSFWWBS-CYBMUJFWSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604577 472165710 /nfs/dbraw/zinc/16/57/10/472165710.db2.gz UXRDAABQTJUWAN-UHFFFAOYSA-N 1 0 337.445 2.630 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604467 472166240 /nfs/dbraw/zinc/16/62/40/472166240.db2.gz GYSLPFSFEOSHNJ-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000075630887 472172645 /nfs/dbraw/zinc/17/26/45/472172645.db2.gz ZAJGPGJGHPERDC-KRWDZBQOSA-N 1 0 342.399 2.880 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055406854 472181455 /nfs/dbraw/zinc/18/14/55/472181455.db2.gz SRRKZSQMPHCHBW-LSDHHAIUSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000055405419 472182184 /nfs/dbraw/zinc/18/21/84/472182184.db2.gz BUOQVRGWQBAWGY-CHWSQXEVSA-N 1 0 344.415 2.926 20 5 EFBDRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027675067 472190624 /nfs/dbraw/zinc/19/06/24/472190624.db2.gz UIIYVAQEHSOSPH-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834828 472203575 /nfs/dbraw/zinc/20/35/75/472203575.db2.gz CNJDOOIBJBYIGD-INIZCTEOSA-N 1 0 333.432 2.781 20 5 EFBDRO Cc1c(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347741 472226650 /nfs/dbraw/zinc/22/66/50/472226650.db2.gz YMJSHAGSWCDETO-UHFFFAOYSA-N 1 0 341.371 2.652 20 5 EFBDRO CNc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055749451 472233306 /nfs/dbraw/zinc/23/33/06/472233306.db2.gz CKCYYQBWOGTXHV-MELADBBJSA-N 1 0 348.447 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCCC3)CC2)c2c(c1)COCO2 ZINC000028966706 472245463 /nfs/dbraw/zinc/24/54/63/472245463.db2.gz JSFPQYDCBOQEQY-UHFFFAOYSA-N 1 0 347.415 2.522 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068799867 472245412 /nfs/dbraw/zinc/24/54/12/472245412.db2.gz BHMLPLWCIBNQDZ-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000085456933 472248476 /nfs/dbraw/zinc/24/84/76/472248476.db2.gz AXEPLDQBQKUWFD-GJZGRUSLSA-N 1 0 349.431 2.522 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000085456931 472248513 /nfs/dbraw/zinc/24/85/13/472248513.db2.gz AXEPLDQBQKUWFD-GASCZTMLSA-N 1 0 349.431 2.522 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055897502 472252813 /nfs/dbraw/zinc/25/28/13/472252813.db2.gz TYWRZTDXPLECSM-CQSZACIVSA-N 1 0 336.388 2.639 20 5 EFBDRO C[NH+]1CCN(C[C@@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068910718 472264600 /nfs/dbraw/zinc/26/46/00/472264600.db2.gz GXCOQXCKXDRPFF-GOSISDBHSA-N 1 0 340.427 2.995 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000068935903 472268038 /nfs/dbraw/zinc/26/80/38/472268038.db2.gz ZPRZKJRGNMBQNE-CYBMUJFWSA-N 1 0 337.445 2.533 20 5 EFBDRO COc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000616783070 479976388 /nfs/dbraw/zinc/97/63/88/479976388.db2.gz QFHDDQYJLHONCX-AWEZNQCLSA-N 1 0 335.404 2.514 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000056043636 472275309 /nfs/dbraw/zinc/27/53/09/472275309.db2.gz QBNNHQHMUAUHOM-UHFFFAOYSA-N 1 0 325.434 2.850 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000069034803 472280516 /nfs/dbraw/zinc/28/05/16/472280516.db2.gz HTOREUZOTGDPPN-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000086987112 472295881 /nfs/dbraw/zinc/29/58/81/472295881.db2.gz XIXAPVCRRMLQNI-SFHVURJKSA-N 1 0 341.411 2.947 20 5 EFBDRO CCOc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000056240550 472297135 /nfs/dbraw/zinc/29/71/35/472297135.db2.gz FEOFPUIWRHJYDZ-KBPBESRZSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000044314287 472297294 /nfs/dbraw/zinc/29/72/94/472297294.db2.gz XENQDJBKMDGHKF-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000056328469 472306034 /nfs/dbraw/zinc/30/60/34/472306034.db2.gz BXSHCLRERMMOBA-UHFFFAOYSA-N 1 0 330.388 2.695 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087133891 472309135 /nfs/dbraw/zinc/30/91/35/472309135.db2.gz VQTAKAPQCUYNEB-AWEZNQCLSA-N 1 0 346.431 2.537 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044582399 472319301 /nfs/dbraw/zinc/31/93/01/472319301.db2.gz XIRADMYKPCPBCT-GASCZTMLSA-N 1 0 333.432 2.622 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087357806 472329064 /nfs/dbraw/zinc/32/90/64/472329064.db2.gz UJIXYKTYRITTOW-MRXNPFEDSA-N 1 0 333.432 2.908 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087357807 472329521 /nfs/dbraw/zinc/32/95/21/472329521.db2.gz UJIXYKTYRITTOW-INIZCTEOSA-N 1 0 333.432 2.908 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087407718 472334466 /nfs/dbraw/zinc/33/44/66/472334466.db2.gz JPGYFHMBAKARGN-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000056715958 472347034 /nfs/dbraw/zinc/34/70/34/472347034.db2.gz SZXKAQNCJFAXKI-CYBMUJFWSA-N 1 0 337.395 2.976 20 5 EFBDRO Cc1[nH]nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000076461338 472350726 /nfs/dbraw/zinc/35/07/26/472350726.db2.gz ATIJFSAEVOWPRT-UHFFFAOYSA-N 1 0 343.387 2.517 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000069475124 472351967 /nfs/dbraw/zinc/35/19/67/472351967.db2.gz NSSZSTSQIWHUAL-HNNXBMFYSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076483577 472353193 /nfs/dbraw/zinc/35/31/93/472353193.db2.gz AWSKYMLFKSGNOK-IYKWBQJMSA-N 1 0 331.416 2.797 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000088564003 472373991 /nfs/dbraw/zinc/37/39/91/472373991.db2.gz BQBVQLRYHMIYPH-UHFFFAOYSA-N 1 0 332.360 2.784 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069611460 472379698 /nfs/dbraw/zinc/37/96/98/472379698.db2.gz IMKNHKUIBPCQGW-UHFFFAOYSA-N 1 0 336.392 2.551 20 5 EFBDRO C[NH+](C)CCN1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000076686059 472384927 /nfs/dbraw/zinc/38/49/27/472384927.db2.gz SWBHUWWIAAWSJB-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000613389130 479984836 /nfs/dbraw/zinc/98/48/36/479984836.db2.gz JDYLYICSUWGGPL-KDOFPFPSSA-N 1 0 330.384 2.728 20 5 EFBDRO CC[NH+](CC)CCOc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000076776827 472401274 /nfs/dbraw/zinc/40/12/74/472401274.db2.gz ZFZWAUUKUNNISY-UHFFFAOYSA-N 1 0 347.419 2.661 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076799114 472404981 /nfs/dbraw/zinc/40/49/81/472404981.db2.gz HFABRMZPYCBQAS-KBPBESRZSA-N 1 0 348.447 2.864 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000613390748 479985931 /nfs/dbraw/zinc/98/59/31/479985931.db2.gz YQLDCPZOKZNDHW-ZBFHGGJFSA-N 1 0 330.384 2.728 20 5 EFBDRO COC(=O)c1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC000154316224 472416142 /nfs/dbraw/zinc/41/61/42/472416142.db2.gz VKNSVOMOLGOWQI-UHFFFAOYSA-N 1 0 329.356 2.874 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000076925288 472425395 /nfs/dbraw/zinc/42/53/95/472425395.db2.gz LHXDWIMFGVGHTD-CYBMUJFWSA-N 1 0 333.413 2.880 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045623488 472434628 /nfs/dbraw/zinc/43/46/28/472434628.db2.gz MHQASJJHVQJFOT-UHFFFAOYSA-N 1 0 348.447 2.906 20 5 EFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000045622598 472435352 /nfs/dbraw/zinc/43/53/52/472435352.db2.gz LKPGJTZXWJXUPJ-UHFFFAOYSA-N 1 0 342.399 2.656 20 5 EFBDRO Cc1cc(N2CCC3(CC2)OCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083779 472437320 /nfs/dbraw/zinc/43/73/20/472437320.db2.gz PODWSTRBEYHSBM-UHFFFAOYSA-N 1 0 329.356 2.795 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000057544158 472449953 /nfs/dbraw/zinc/44/99/53/472449953.db2.gz APSGSFFRZYGLDZ-RYUDHWBXSA-N 1 0 325.434 2.754 20 5 EFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513322 472451979 /nfs/dbraw/zinc/45/19/79/472451979.db2.gz DFRJBIOQRLZBCP-SNVBAGLBSA-N 1 0 339.193 2.732 20 5 EFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512231 472452862 /nfs/dbraw/zinc/45/28/62/472452862.db2.gz SIGFEPNRMKSLJF-SNVBAGLBSA-N 1 0 339.193 2.732 20 5 EFBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000128485130 472458466 /nfs/dbraw/zinc/45/84/66/472458466.db2.gz BGLCOGLFNCWSRD-MLGOLLRUSA-N 1 0 346.362 2.583 20 5 EFBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730643 472459160 /nfs/dbraw/zinc/45/91/60/472459160.db2.gz JCOWBRAXYZPMKJ-QWHCGFSZSA-N 1 0 334.420 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2ncccc12 ZINC000089602950 472468110 /nfs/dbraw/zinc/46/81/10/472468110.db2.gz SAQQIJNEHJVHRU-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO C[NH+](C)CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000032803828 472469019 /nfs/dbraw/zinc/46/90/19/472469019.db2.gz WOKMKGPMAOIPPX-UHFFFAOYSA-N 1 0 339.193 2.879 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000089618323 472470135 /nfs/dbraw/zinc/47/01/35/472470135.db2.gz QEFNQVHBVMPPDT-JQWIXIFHSA-N 1 0 345.321 2.717 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000089628254 472471826 /nfs/dbraw/zinc/47/18/26/472471826.db2.gz QRCLPELIEXILJK-GFCCVEGCSA-N 1 0 328.434 2.767 20 5 EFBDRO COCCN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000154822718 472476566 /nfs/dbraw/zinc/47/65/66/472476566.db2.gz BMMPSVNSANGTHK-GOSISDBHSA-N 1 0 347.459 2.616 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089643955 472476511 /nfs/dbraw/zinc/47/65/11/472476511.db2.gz QOEUEVYLKMTLPS-QZTJIDSGSA-N 1 0 341.411 2.951 20 5 EFBDRO O=[N+]([O-])c1ccccc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644896 472478009 /nfs/dbraw/zinc/47/80/09/472478009.db2.gz PRHDQUYDMNGAPB-HZPDHXFCSA-N 1 0 327.384 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)c1 ZINC000089644942 472478646 /nfs/dbraw/zinc/47/86/46/472478646.db2.gz CJPPQTINOWZGFD-CVEARBPZSA-N 1 0 345.374 2.781 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000077221069 472479184 /nfs/dbraw/zinc/47/91/84/472479184.db2.gz HYITYRSYQCHUJE-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000032923421 472481481 /nfs/dbraw/zinc/48/14/81/472481481.db2.gz RPFBSKKWMUOBNC-INIZCTEOSA-N 1 0 345.374 2.565 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@@H]3CCOC3)C3CC3)o2)cc1 ZINC000097325294 472490684 /nfs/dbraw/zinc/49/06/84/472490684.db2.gz YVZMPHSKVTYYJJ-LBPRGKRZSA-N 1 0 344.371 2.646 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000089728822 472493980 /nfs/dbraw/zinc/49/39/80/472493980.db2.gz JWCRBBQGGZKKEV-GXTWGEPZSA-N 1 0 335.404 2.653 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cc1[N+](=O)[O-] ZINC000128836616 472501522 /nfs/dbraw/zinc/50/15/22/472501522.db2.gz FRMBRUYYBXTKGD-ZDUSSCGKSA-N 1 0 343.383 2.618 20 5 EFBDRO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000058140281 472507097 /nfs/dbraw/zinc/50/70/97/472507097.db2.gz BLLLRQFOZOSHOG-UHFFFAOYSA-N 1 0 346.387 2.969 20 5 EFBDRO C[C@@H]1COC[C@@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000077364788 472513442 /nfs/dbraw/zinc/51/34/42/472513442.db2.gz REHQPKCNNXYCNC-CHWSQXEVSA-N 1 0 331.372 2.902 20 5 EFBDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077395910 472520563 /nfs/dbraw/zinc/52/05/63/472520563.db2.gz ZWEHBKWGPZRXLH-CMPLNLGQSA-N 1 0 345.403 2.623 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000058276115 472531807 /nfs/dbraw/zinc/53/18/07/472531807.db2.gz NSSZSTSQIWHUAL-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058273856 472531940 /nfs/dbraw/zinc/53/19/40/472531940.db2.gz FQENBLPTOFRREP-STMXVASLSA-N 1 0 335.379 2.595 20 5 EFBDRO CC[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089892508 472535918 /nfs/dbraw/zinc/53/59/18/472535918.db2.gz UQOZFNDYQWXQNQ-UHFFFAOYSA-N 1 0 330.388 2.777 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000058290681 472537556 /nfs/dbraw/zinc/53/75/56/472537556.db2.gz HOJASRVGCRIZEQ-IRXDYDNUSA-N 1 0 347.415 2.875 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119245751 472538842 /nfs/dbraw/zinc/53/88/42/472538842.db2.gz DBJFDDNSJZKWKE-LBPRGKRZSA-N 1 0 328.796 2.733 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077510051 472542444 /nfs/dbraw/zinc/54/24/44/472542444.db2.gz NKOSDZXBFDONKP-OAHLLOKOSA-N 1 0 343.358 2.738 20 5 EFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077523830 472546312 /nfs/dbraw/zinc/54/63/12/472546312.db2.gz BCBRCLGWFIDTNP-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000119529288 472562426 /nfs/dbraw/zinc/56/24/26/472562426.db2.gz DKKXHPMITKMRNI-CDVVCGDMSA-N 1 0 331.416 2.702 20 5 EFBDRO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046593532 472573807 /nfs/dbraw/zinc/57/38/07/472573807.db2.gz FDICAPGZAGUNRV-UONOGXRCSA-N 1 0 349.431 2.986 20 5 EFBDRO COc1ccc(-c2ccc(CNCCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000102419353 472576685 /nfs/dbraw/zinc/57/66/85/472576685.db2.gz BKDHJZBDWYANAP-UHFFFAOYSA-N 1 0 333.388 2.905 20 5 EFBDRO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000119770540 472580972 /nfs/dbraw/zinc/58/09/72/472580972.db2.gz RKTIGRGONOKENB-UHFFFAOYSA-N 1 0 335.360 2.525 20 5 EFBDRO CC(C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000071849533 472582575 /nfs/dbraw/zinc/58/25/75/472582575.db2.gz LSHAPBKURGUQNX-MRXNPFEDSA-N 1 0 340.855 2.932 20 5 EFBDRO Cn1cc(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000071856510 472586298 /nfs/dbraw/zinc/58/62/98/472586298.db2.gz FGIZLOBDYQQRGC-UHFFFAOYSA-N 1 0 341.371 2.658 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046723207 472589496 /nfs/dbraw/zinc/58/94/96/472589496.db2.gz IPWHHTCXEBYPFJ-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119924606 472604255 /nfs/dbraw/zinc/60/42/55/472604255.db2.gz LDAAYHFPQYWJLJ-UHFFFAOYSA-N 1 0 332.404 2.960 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000071899587 472607016 /nfs/dbraw/zinc/60/70/16/472607016.db2.gz BRPXMDURBIWUHI-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CCOCC1 ZINC000155782666 472614138 /nfs/dbraw/zinc/61/41/38/472614138.db2.gz WOYZAZNRGCHYFM-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000071912066 472618027 /nfs/dbraw/zinc/61/80/27/472618027.db2.gz CGMAIMCLBFASBQ-CYBMUJFWSA-N 1 0 343.343 2.584 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059389294 472626205 /nfs/dbraw/zinc/62/62/05/472626205.db2.gz YQBGKNDZKCSRPI-GFCCVEGCSA-N 1 0 326.828 2.686 20 5 EFBDRO C[N@H+](CCCCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517888 472629045 /nfs/dbraw/zinc/62/90/45/472629045.db2.gz OOCJLZZGARYWON-UHFFFAOYSA-N 1 0 329.400 2.711 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000090525171 472630025 /nfs/dbraw/zinc/63/00/25/472630025.db2.gz RXVMVBPTYZTORH-QGZVFWFLSA-N 1 0 341.411 2.854 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046990372 472636732 /nfs/dbraw/zinc/63/67/32/472636732.db2.gz RLMYZIINACAOFJ-OAHLLOKOSA-N 1 0 333.432 2.766 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000155910319 472638183 /nfs/dbraw/zinc/63/81/83/472638183.db2.gz QKMZZWNPZWSTKI-CYBMUJFWSA-N 1 0 335.404 2.589 20 5 EFBDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090644566 472647587 /nfs/dbraw/zinc/64/75/87/472647587.db2.gz GAWWJUKBUYDHLZ-LBPRGKRZSA-N 1 0 348.424 2.983 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000156036836 472657931 /nfs/dbraw/zinc/65/79/31/472657931.db2.gz SBIOYGJSWGXHGL-OLZOCXBDSA-N 1 0 342.399 2.698 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000047140874 472660118 /nfs/dbraw/zinc/66/01/18/472660118.db2.gz XGZDGBHQWRESJW-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO CCO[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000156064805 472660682 /nfs/dbraw/zinc/66/06/82/472660682.db2.gz UWUREOYOJNERDP-GFCCVEGCSA-N 1 0 341.795 2.688 20 5 EFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000090909868 472664525 /nfs/dbraw/zinc/66/45/25/472664525.db2.gz ZBTFFGVQFRGWAX-UHFFFAOYSA-N 1 0 340.427 2.787 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000156095467 472665615 /nfs/dbraw/zinc/66/56/15/472665615.db2.gz RYRGMQDEGNWTLB-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CC1CC[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047214193 472671030 /nfs/dbraw/zinc/67/10/30/472671030.db2.gz JHANPSVGLGVXPG-UHFFFAOYSA-N 1 0 333.432 2.766 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060659050 472674737 /nfs/dbraw/zinc/67/47/37/472674737.db2.gz PXNSTYHIGFIZFA-CQSZACIVSA-N 1 0 337.420 2.600 20 5 EFBDRO CCOC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060774008 472677393 /nfs/dbraw/zinc/67/73/93/472677393.db2.gz FKMSICQBTDWOFO-UHFFFAOYSA-N 1 0 341.795 2.959 20 5 EFBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047260023 472679267 /nfs/dbraw/zinc/67/92/67/472679267.db2.gz KYZZMGIELYGQJL-HNNXBMFYSA-N 1 0 340.383 2.841 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000131668701 472683914 /nfs/dbraw/zinc/68/39/14/472683914.db2.gz RSHYONORTJPMNI-OAHLLOKOSA-N 1 0 347.415 2.627 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000078292761 472689586 /nfs/dbraw/zinc/68/95/86/472689586.db2.gz VSADQBLNNIASSL-ZDUSSCGKSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+]1CCOCC1 ZINC000078295389 472690325 /nfs/dbraw/zinc/69/03/25/472690325.db2.gz RKPBXKFAFNVVNF-NSHDSACASA-N 1 0 345.346 2.576 20 5 EFBDRO CC[N@@H+](Cc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000061170978 472693273 /nfs/dbraw/zinc/69/32/73/472693273.db2.gz BDDVHXFAAXOPEL-AWEZNQCLSA-N 1 0 336.413 2.918 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000047345278 472693989 /nfs/dbraw/zinc/69/39/89/472693989.db2.gz XATYQERLKBADSO-UHFFFAOYSA-N 1 0 338.795 2.808 20 5 EFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000072672846 472697450 /nfs/dbraw/zinc/69/74/50/472697450.db2.gz QCQOBCRJLKQTGK-CQSZACIVSA-N 1 0 344.415 2.912 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000091082803 472699482 /nfs/dbraw/zinc/69/94/82/472699482.db2.gz GPNUZRXWXGZCJK-UHFFFAOYSA-N 1 0 343.374 2.637 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000047452650 472715739 /nfs/dbraw/zinc/71/57/39/472715739.db2.gz MHTPXXMRNGMLLM-UHFFFAOYSA-N 1 0 329.356 2.674 20 5 EFBDRO CC1CCC([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000061799161 472721600 /nfs/dbraw/zinc/72/16/00/472721600.db2.gz STGPGYJDMPLLHU-UHFFFAOYSA-N 1 0 349.387 2.773 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072823795 472721925 /nfs/dbraw/zinc/72/19/25/472721925.db2.gz XPOCQQNSWRZLCM-HNNXBMFYSA-N 1 0 348.447 2.505 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC000072835826 472724319 /nfs/dbraw/zinc/72/43/19/472724319.db2.gz MXHVNLCALDHDQO-UHFFFAOYSA-N 1 0 325.796 2.548 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000072871608 472730758 /nfs/dbraw/zinc/73/07/58/472730758.db2.gz MDKUBXMVISQENC-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000078576288 472736970 /nfs/dbraw/zinc/73/69/70/472736970.db2.gz COEYNPJKNRKESS-HNNXBMFYSA-N 1 0 348.447 2.654 20 5 EFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000072926541 472741572 /nfs/dbraw/zinc/74/15/72/472741572.db2.gz PPNIIEZAFCCXQP-RDJZCZTQSA-N 1 0 336.388 2.659 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000078603712 472742222 /nfs/dbraw/zinc/74/22/22/472742222.db2.gz SPPILOFCKHWSJF-UHFFFAOYSA-N 1 0 325.434 2.535 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078615904 472743861 /nfs/dbraw/zinc/74/38/61/472743861.db2.gz WZACPUDZLCRHQW-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000072982623 472752904 /nfs/dbraw/zinc/75/29/04/472752904.db2.gz OWGXWHRQCPQESR-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000105471249 472753387 /nfs/dbraw/zinc/75/33/87/472753387.db2.gz BFYZAIDQJPQBFZ-CYBMUJFWSA-N 1 0 347.440 2.744 20 5 EFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1 ZINC000105481600 472753789 /nfs/dbraw/zinc/75/37/89/472753789.db2.gz OUMVSRQZISRQHD-NSHDSACASA-N 1 0 331.397 2.692 20 5 EFBDRO CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000105471022 472754224 /nfs/dbraw/zinc/75/42/24/472754224.db2.gz HLRSBGVTVFBRAN-HNNXBMFYSA-N 1 0 347.440 2.744 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000091457825 472770021 /nfs/dbraw/zinc/77/00/21/472770021.db2.gz PCCMLPFRNOZUAS-JTQLQIEISA-N 1 0 343.225 2.896 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000091457496 472770033 /nfs/dbraw/zinc/77/00/33/472770033.db2.gz WYVXTZUYWKVJNE-ZDUSSCGKSA-N 1 0 348.403 2.695 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CCC[N@H+](C)C1 ZINC000091483095 472772584 /nfs/dbraw/zinc/77/25/84/472772584.db2.gz KGRLZVUAJFBLIN-LLVKDONJSA-N 1 0 339.367 2.664 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000091482758 472772605 /nfs/dbraw/zinc/77/26/05/472772605.db2.gz ZZFYKOPDJPJXPT-SNVBAGLBSA-N 1 0 341.795 2.789 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])C1CC1 ZINC000091481983 472772704 /nfs/dbraw/zinc/77/27/04/472772704.db2.gz AYTDYACMCNRNMK-SNVBAGLBSA-N 1 0 329.198 2.504 20 5 EFBDRO CCOC(=O)c1ccnc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000133126449 472776055 /nfs/dbraw/zinc/77/60/55/472776055.db2.gz XPGSQLGJCUXOBU-UHFFFAOYSA-N 1 0 338.408 2.697 20 5 EFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000157036996 472778233 /nfs/dbraw/zinc/77/82/33/472778233.db2.gz OTLLUJBYOZIMEW-HIFRSBDPSA-N 1 0 348.447 2.544 20 5 EFBDRO CCOC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091676409 472792220 /nfs/dbraw/zinc/79/22/20/472792220.db2.gz MKFGHUYXHNIAPW-UHFFFAOYSA-N 1 0 344.415 2.996 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000063703917 472801646 /nfs/dbraw/zinc/80/16/46/472801646.db2.gz NOWAXYIBCMYFTG-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000063771433 472812751 /nfs/dbraw/zinc/81/27/51/472812751.db2.gz BBWRZLHYOZRETF-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091869235 472820502 /nfs/dbraw/zinc/82/05/02/472820502.db2.gz HXSTUVQDBZFIIX-UHFFFAOYSA-N 1 0 348.378 2.612 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000063865754 472822860 /nfs/dbraw/zinc/82/28/60/472822860.db2.gz NYWFACUFXDRWBJ-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCC[C@@H]1O ZINC000091900070 472822851 /nfs/dbraw/zinc/82/28/51/472822851.db2.gz NUBOFCDJYCQMRU-GWCFXTLKSA-N 1 0 330.331 2.789 20 5 EFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCC[C@@H]1O ZINC000091900071 472824121 /nfs/dbraw/zinc/82/41/21/472824121.db2.gz NUBOFCDJYCQMRU-MFKMUULPSA-N 1 0 330.331 2.789 20 5 EFBDRO Cc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000091952447 472831153 /nfs/dbraw/zinc/83/11/53/472831153.db2.gz VQLIUBUCGRCAPY-UHFFFAOYSA-N 1 0 333.432 2.982 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000064312090 472842896 /nfs/dbraw/zinc/84/28/96/472842896.db2.gz OLHPIDOPVXIWAX-CABCVRRESA-N 1 0 349.431 2.600 20 5 EFBDRO CC(C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000133895070 472852442 /nfs/dbraw/zinc/85/24/42/472852442.db2.gz SXKIMOHOLLIZAY-QGZVFWFLSA-N 1 0 349.431 2.551 20 5 EFBDRO Cc1ccc(C)c(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000157784859 472858407 /nfs/dbraw/zinc/85/84/07/472858407.db2.gz UGODLUHYMKJHFC-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO CCc1cc(N2CC[NH+](CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000048345822 472861194 /nfs/dbraw/zinc/86/11/94/472861194.db2.gz RNCGIPOFIAXRCJ-UHFFFAOYSA-N 1 0 341.415 2.756 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121522382 472865117 /nfs/dbraw/zinc/86/51/17/472865117.db2.gz NRKDAWCFJJKTEQ-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134196519 472884371 /nfs/dbraw/zinc/88/43/71/472884371.db2.gz DPNJJJFAIIYYMK-HNNXBMFYSA-N 1 0 344.415 2.609 20 5 EFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000073897737 472897301 /nfs/dbraw/zinc/89/73/01/472897301.db2.gz KOBJRXMLRWFOPH-OAHLLOKOSA-N 1 0 348.447 2.557 20 5 EFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134370649 472900068 /nfs/dbraw/zinc/90/00/68/472900068.db2.gz PUGGUYYLXZNZSN-CYBMUJFWSA-N 1 0 343.811 2.526 20 5 EFBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000158162365 472901252 /nfs/dbraw/zinc/90/12/52/472901252.db2.gz QPJLTRBBOGSDQA-JTQLQIEISA-N 1 0 343.811 2.668 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000065208778 472907689 /nfs/dbraw/zinc/90/76/89/472907689.db2.gz SJQOXKLHNRIRNG-UHFFFAOYSA-N 1 0 344.367 2.877 20 5 EFBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000079693860 472908826 /nfs/dbraw/zinc/90/88/26/472908826.db2.gz JMHAZCRGIDHYII-ZDUSSCGKSA-N 1 0 337.445 2.535 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000158243693 472913045 /nfs/dbraw/zinc/91/30/45/472913045.db2.gz KXVJHYXQOAKOMS-GXFFZTMASA-N 1 0 345.321 2.799 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000158326714 472922933 /nfs/dbraw/zinc/92/29/33/472922933.db2.gz KTHWCFSHYSYZAT-LSDHHAIUSA-N 1 0 348.447 2.933 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000065420807 472937973 /nfs/dbraw/zinc/93/79/73/472937973.db2.gz YKHIAHWSLLCWQR-CQSZACIVSA-N 1 0 349.431 2.600 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000121898997 472940805 /nfs/dbraw/zinc/94/08/05/472940805.db2.gz JJHFNBRPRQLBQF-UHFFFAOYSA-N 1 0 331.416 2.933 20 5 EFBDRO CC(C)C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000074137070 472949318 /nfs/dbraw/zinc/94/93/18/472949318.db2.gz OLPGPKAMYAAZBB-CQSZACIVSA-N 1 0 339.461 2.779 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000065496522 472956833 /nfs/dbraw/zinc/95/68/33/472956833.db2.gz ZWRQZACSTLQPFL-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134771525 472964160 /nfs/dbraw/zinc/96/41/60/472964160.db2.gz ASTZYSQFQLWPGW-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074298561 472981527 /nfs/dbraw/zinc/98/15/27/472981527.db2.gz HQURRHLHNIAQAN-OAHLLOKOSA-N 1 0 331.416 2.707 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000065605707 472987244 /nfs/dbraw/zinc/98/72/44/472987244.db2.gz CKAREWONHFXWHC-MRXNPFEDSA-N 1 0 341.367 2.736 20 5 EFBDRO COc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000074332394 472991720 /nfs/dbraw/zinc/99/17/20/472991720.db2.gz XKAKPWDKVVGWRG-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134944867 472996586 /nfs/dbraw/zinc/99/65/86/472996586.db2.gz WKABNAWQTFXHEA-BEFAXECRSA-N 1 0 345.443 2.922 20 5 EFBDRO CNC(=O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000074371875 472996840 /nfs/dbraw/zinc/99/68/40/472996840.db2.gz BWXOCXQZLWFRFG-UHFFFAOYSA-N 1 0 342.399 2.588 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000065746463 473005391 /nfs/dbraw/zinc/00/53/91/473005391.db2.gz CCGLRTBWVSLEHH-UHFFFAOYSA-N 1 0 325.434 2.993 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108306911 473012708 /nfs/dbraw/zinc/01/27/08/473012708.db2.gz DODAYNCTTMJSHP-CYBMUJFWSA-N 1 0 335.429 2.531 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000080343470 473016087 /nfs/dbraw/zinc/01/60/87/473016087.db2.gz QOYMEQQSFUEVEA-QHCPKHFHSA-N 1 0 334.397 2.631 20 5 EFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C1CC1)C1CC1 ZINC000050989087 473016224 /nfs/dbraw/zinc/01/62/24/473016224.db2.gz MFQZKVSYXUIFBP-UHFFFAOYSA-N 1 0 329.400 2.604 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108432022 473026435 /nfs/dbraw/zinc/02/64/35/473026435.db2.gz LGDZFEOBMQJNFV-NSHDSACASA-N 1 0 338.795 2.854 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000080406681 473026797 /nfs/dbraw/zinc/02/67/97/473026797.db2.gz VIIJHKSYJXJDEX-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000122610825 473036231 /nfs/dbraw/zinc/03/62/31/473036231.db2.gz TVCJPDHDOWJFDI-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000080543133 473045374 /nfs/dbraw/zinc/04/53/74/473045374.db2.gz WMNJXGMDRRMATG-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000080591932 473052792 /nfs/dbraw/zinc/05/27/92/473052792.db2.gz VWNMCUDALNLEHF-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000080680950 473068395 /nfs/dbraw/zinc/06/83/95/473068395.db2.gz FRWJHNIIRKKKBO-HNNXBMFYSA-N 1 0 337.420 2.541 20 5 EFBDRO COc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000135592083 473096727 /nfs/dbraw/zinc/09/67/27/473096727.db2.gz FEJMUSXOASMTGJ-AWEZNQCLSA-N 1 0 330.388 2.846 20 5 EFBDRO CC[NH+](CC)CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000052357619 473101716 /nfs/dbraw/zinc/10/17/16/473101716.db2.gz HVTJNOVWJCAIOM-UHFFFAOYSA-N 1 0 337.449 2.862 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000080940650 473106676 /nfs/dbraw/zinc/10/66/76/473106676.db2.gz MIBJTDVRDJNWFF-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123232865 473114160 /nfs/dbraw/zinc/11/41/60/473114160.db2.gz CSDZZNNSSDMMRR-VQOXYXNASA-N 1 0 335.379 2.688 20 5 EFBDRO CCn1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000093534379 473116469 /nfs/dbraw/zinc/11/64/69/473116469.db2.gz PYPFZMYSRKEBER-AWEZNQCLSA-N 1 0 344.419 2.509 20 5 EFBDRO COc1ccsc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534317 473116494 /nfs/dbraw/zinc/11/64/94/473116494.db2.gz WMQLWCVJTSURPH-NSHDSACASA-N 1 0 334.401 2.746 20 5 EFBDRO COc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534690 473116566 /nfs/dbraw/zinc/11/65/66/473116566.db2.gz SPZYHDGPDILZJQ-CQSZACIVSA-N 1 0 328.372 2.685 20 5 EFBDRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000093534380 473116849 /nfs/dbraw/zinc/11/68/49/473116849.db2.gz PYPFZMYSRKEBER-CQSZACIVSA-N 1 0 344.419 2.509 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000052556255 473123849 /nfs/dbraw/zinc/12/38/49/473123849.db2.gz CVUFTLZFWXWWNT-KSSFIOAISA-N 1 0 348.447 2.905 20 5 EFBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000093613326 473125307 /nfs/dbraw/zinc/12/53/07/473125307.db2.gz OMUHAOHWQGJOSU-KEEVIKFDSA-N 1 0 346.427 2.860 20 5 EFBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000093613534 473125487 /nfs/dbraw/zinc/12/54/87/473125487.db2.gz QXYUWOKTFLBGNB-IRXDYDNUSA-N 1 0 334.416 2.655 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000081001155 473126623 /nfs/dbraw/zinc/12/66/23/473126623.db2.gz HPQGWCSFNOXBFA-UHFFFAOYSA-N 1 0 334.420 2.745 20 5 EFBDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000136044843 473130954 /nfs/dbraw/zinc/13/09/54/473130954.db2.gz BEZODSAZZDVADA-UHFFFAOYSA-N 1 0 349.431 2.778 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664729 473133179 /nfs/dbraw/zinc/13/31/79/473133179.db2.gz RALPDXPAVBRIRJ-KRWDZBQOSA-N 1 0 347.459 2.872 20 5 EFBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000123426818 473141519 /nfs/dbraw/zinc/14/15/19/473141519.db2.gz ZRJNOSVQBVHFTN-UHFFFAOYSA-N 1 0 342.399 2.605 20 5 EFBDRO C[C@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000136299358 473149305 /nfs/dbraw/zinc/14/93/05/473149305.db2.gz OWKXJLMCOXVGAS-NXOUGTEYSA-N 1 0 348.374 2.522 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081124987 473152081 /nfs/dbraw/zinc/15/20/81/473152081.db2.gz QOVLQMKGSXRRGP-INIZCTEOSA-N 1 0 339.395 2.941 20 5 EFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000066816367 473157504 /nfs/dbraw/zinc/15/75/04/473157504.db2.gz UDTHLTZOIGLSCL-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO COc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000110438697 473158189 /nfs/dbraw/zinc/15/81/89/473158189.db2.gz RVRKPKTWYGVOBV-UHFFFAOYSA-N 1 0 349.431 2.989 20 5 EFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000094007924 473167280 /nfs/dbraw/zinc/16/72/80/473167280.db2.gz RQYRVQVSIAMTQP-DTWKUNHWSA-N 1 0 329.198 2.647 20 5 EFBDRO CC[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110694823 473170889 /nfs/dbraw/zinc/17/08/89/473170889.db2.gz VYAYOUQTKIPRKZ-JTQLQIEISA-N 1 0 328.210 2.888 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136705530 473173068 /nfs/dbraw/zinc/17/30/68/473173068.db2.gz LAYMZKXNABIVNA-OAHLLOKOSA-N 1 0 344.415 2.561 20 5 EFBDRO Cc1c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cccc1[N+](=O)[O-] ZINC000136722046 473174283 /nfs/dbraw/zinc/17/42/83/473174283.db2.gz QHFDPDAFOVDISB-UHFFFAOYSA-N 1 0 330.388 2.771 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000094157766 473181833 /nfs/dbraw/zinc/18/18/33/473181833.db2.gz PRMRBIHGAAUZJQ-CYBMUJFWSA-N 1 0 331.420 2.823 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066946672 473182732 /nfs/dbraw/zinc/18/27/32/473182732.db2.gz QJHNPYKBJZFNBH-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000110997548 473189383 /nfs/dbraw/zinc/18/93/83/473189383.db2.gz XRYUVLZHKITPAC-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000137023830 473191653 /nfs/dbraw/zinc/19/16/53/473191653.db2.gz BVRDUPXQXVPPFU-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1c(CC(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000160983149 473196818 /nfs/dbraw/zinc/19/68/18/473196818.db2.gz HSBHZOLWVAQXLA-UHFFFAOYSA-N 1 0 331.416 2.533 20 5 EFBDRO C[C@H](c1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000123906241 473196923 /nfs/dbraw/zinc/19/69/23/473196923.db2.gz QFRGTKOWLIJBLE-CQSZACIVSA-N 1 0 327.384 2.686 20 5 EFBDRO COc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161012601 473198968 /nfs/dbraw/zinc/19/89/68/473198968.db2.gz KOEKRQIRMMHZEJ-HZSPNIEDSA-N 1 0 349.431 2.700 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000171455552 473392540 /nfs/dbraw/zinc/39/25/40/473392540.db2.gz JNDHYEVVFZGJIK-KRWDZBQOSA-N 1 0 349.431 2.730 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000171480473 473397468 /nfs/dbraw/zinc/39/74/68/473397468.db2.gz ZRKSPTHZHPGXJQ-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO CSc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000171510903 473400604 /nfs/dbraw/zinc/40/06/04/473400604.db2.gz QHKPTSOBPOZKRP-ZDUSSCGKSA-N 1 0 337.445 2.873 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177593111 473404160 /nfs/dbraw/zinc/40/41/60/473404160.db2.gz HDOMIDUMDNPDSC-MNOVXSKESA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)Oc1cc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)ccn1 ZINC000163127786 473414569 /nfs/dbraw/zinc/41/45/69/473414569.db2.gz HWEGHSMBCYUYNP-UHFFFAOYSA-N 1 0 345.403 2.638 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000190889883 473419972 /nfs/dbraw/zinc/41/99/72/473419972.db2.gz GUOBCUWECALQNB-UHFFFAOYSA-N 1 0 338.408 2.799 20 5 EFBDRO CC(C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000171665583 473433328 /nfs/dbraw/zinc/43/33/28/473433328.db2.gz UNGVEFUBUXFZIA-INIZCTEOSA-N 1 0 334.420 2.514 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000163379181 473440162 /nfs/dbraw/zinc/44/01/62/473440162.db2.gz MFHTZVYYXHGOKB-CQSZACIVSA-N 1 0 333.432 2.682 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000171695748 473441372 /nfs/dbraw/zinc/44/13/72/473441372.db2.gz YZCVHKBRBAVTEV-CQSZACIVSA-N 1 0 348.447 2.998 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C(C)C ZINC000185532117 473450028 /nfs/dbraw/zinc/45/00/28/473450028.db2.gz WOCSIBQYWIVPRM-MRXNPFEDSA-N 1 0 335.448 2.962 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163541801 473453347 /nfs/dbraw/zinc/45/33/47/473453347.db2.gz ZMNPGJAKJNHWOS-GFCCVEGCSA-N 1 0 325.434 2.754 20 5 EFBDRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191046057 473464913 /nfs/dbraw/zinc/46/49/13/473464913.db2.gz ZSEOAOKYTZZXOY-ZDUSSCGKSA-N 1 0 328.434 2.850 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000151512162 473467584 /nfs/dbraw/zinc/46/75/84/473467584.db2.gz RMRNAOADQHEFMH-ZFWWWQNUSA-N 1 0 332.404 2.851 20 5 EFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000114460296 473468953 /nfs/dbraw/zinc/46/89/53/473468953.db2.gz VVSWTBNBKWWOAN-HOTGVXAUSA-N 1 0 336.388 2.587 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000125993243 473477924 /nfs/dbraw/zinc/47/79/24/473477924.db2.gz OJLOAAJDLJOJKH-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000185650489 473478666 /nfs/dbraw/zinc/47/86/66/473478666.db2.gz XLECTSQNPUIZSB-ZDUSSCGKSA-N 1 0 344.367 2.997 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178296533 473485145 /nfs/dbraw/zinc/48/51/45/473485145.db2.gz VFNNTIJPWZEJEU-CYBMUJFWSA-N 1 0 348.424 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000185689381 473489586 /nfs/dbraw/zinc/48/95/86/473489586.db2.gz ZEVZZAAPYZSDNN-UHFFFAOYSA-N 1 0 327.384 2.910 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000126148030 473492452 /nfs/dbraw/zinc/49/24/52/473492452.db2.gz GISNDVJIKLWWTH-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126274951 473503916 /nfs/dbraw/zinc/50/39/16/473503916.db2.gz FPTARIVKXJYNTO-GFCCVEGCSA-N 1 0 337.445 2.557 20 5 EFBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000172072217 473516460 /nfs/dbraw/zinc/51/64/60/473516460.db2.gz OLTDOHFCUQTJTB-KRWDZBQOSA-N 1 0 334.372 2.732 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)CCSC ZINC000126464054 473517794 /nfs/dbraw/zinc/51/77/94/473517794.db2.gz CUKKSYDEKMZKRN-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000152089234 473522701 /nfs/dbraw/zinc/52/27/01/473522701.db2.gz FYIDMFQRBNDHBV-UHFFFAOYSA-N 1 0 346.431 2.535 20 5 EFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000191367923 473531484 /nfs/dbraw/zinc/53/14/84/473531484.db2.gz FQGPIRACYQOHAT-CVEARBPZSA-N 1 0 349.431 2.741 20 5 EFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126686786 473538012 /nfs/dbraw/zinc/53/80/12/473538012.db2.gz XNKVMUKFADLWRX-MLGOLLRUSA-N 1 0 347.390 2.823 20 5 EFBDRO COCC1=CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000185884969 473538498 /nfs/dbraw/zinc/53/84/98/473538498.db2.gz VRGLPQZRCKAZEY-UHFFFAOYSA-N 1 0 333.388 2.510 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178728495 473549021 /nfs/dbraw/zinc/54/90/21/473549021.db2.gz VWTIKYZIDZXSQH-UHFFFAOYSA-N 1 0 347.337 2.720 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115442285 473570172 /nfs/dbraw/zinc/57/01/72/473570172.db2.gz UAYFWHQAJMOHPT-NSHDSACASA-N 1 0 325.796 2.662 20 5 EFBDRO CCC[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639893 473570889 /nfs/dbraw/zinc/57/08/89/473570889.db2.gz WYMJWZXEDHEQSA-GFCCVEGCSA-N 1 0 332.404 2.623 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170648126 473575244 /nfs/dbraw/zinc/57/52/44/473575244.db2.gz YQEPEFAQJVWTIJ-ZDUSSCGKSA-N 1 0 335.404 2.941 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178869351 473581692 /nfs/dbraw/zinc/58/16/92/473581692.db2.gz QYQOBZSJCGLJTM-MRXNPFEDSA-N 1 0 348.447 2.762 20 5 EFBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000152890928 473598079 /nfs/dbraw/zinc/59/80/79/473598079.db2.gz DXXNFUFCNFUMOY-CQSZACIVSA-N 1 0 329.356 2.565 20 5 EFBDRO Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000172413017 473604260 /nfs/dbraw/zinc/60/42/60/473604260.db2.gz IJFYUQSFOGVHNA-UHFFFAOYSA-N 1 0 346.431 2.576 20 5 EFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000192038512 473612478 /nfs/dbraw/zinc/61/24/78/473612478.db2.gz SASKVYWGJVGWKI-UHFFFAOYSA-N 1 0 336.392 2.695 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000170794119 473616261 /nfs/dbraw/zinc/61/62/61/473616261.db2.gz PZZGJNCYVGMAJS-VIFPVBQESA-N 1 0 326.784 2.852 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116127016 473629227 /nfs/dbraw/zinc/62/92/27/473629227.db2.gz VNZZLZREVCAGDK-CQSZACIVSA-N 1 0 325.384 2.830 20 5 EFBDRO Cc1ncsc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000172527244 473634119 /nfs/dbraw/zinc/63/41/19/473634119.db2.gz IBHKTQLBMPCWND-UHFFFAOYSA-N 1 0 332.429 2.724 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000127691046 473640341 /nfs/dbraw/zinc/64/03/41/473640341.db2.gz AYKUGRPDBDDKPY-AWEZNQCLSA-N 1 0 330.388 2.690 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192187877 473644684 /nfs/dbraw/zinc/64/46/84/473644684.db2.gz RBELPBCMIVIPFT-LBPRGKRZSA-N 1 0 326.418 2.810 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000127739054 473646293 /nfs/dbraw/zinc/64/62/93/473646293.db2.gz DROAGMCRHYZTDP-ZDUSSCGKSA-N 1 0 346.383 2.825 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172583288 473649535 /nfs/dbraw/zinc/64/95/35/473649535.db2.gz JSWCPSOWZLJLED-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO C[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170956273 473654333 /nfs/dbraw/zinc/65/43/33/473654333.db2.gz BLEWYGBFFYMVTR-YOEHRIQHSA-N 1 0 342.395 2.954 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127919201 473663747 /nfs/dbraw/zinc/66/37/47/473663747.db2.gz AXSGJIUTZJIQFU-CDVVCGDMSA-N 1 0 329.400 2.552 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000154074547 473666583 /nfs/dbraw/zinc/66/65/83/473666583.db2.gz RYWMHCXZFVCSAT-KRWDZBQOSA-N 1 0 330.384 2.775 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000154110550 473668310 /nfs/dbraw/zinc/66/83/10/473668310.db2.gz HEUGNWWTBWMLEB-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000154110652 473668567 /nfs/dbraw/zinc/66/85/67/473668567.db2.gz HEUGNWWTBWMLEB-GFCCVEGCSA-N 1 0 337.445 2.778 20 5 EFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000186462241 473677447 /nfs/dbraw/zinc/67/74/47/473677447.db2.gz LKNXQGUUKKWKTQ-HZPDHXFCSA-N 1 0 347.415 2.736 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496834 473681775 /nfs/dbraw/zinc/68/17/75/473681775.db2.gz QCFCJODTXAVOMO-PXAZEXFGSA-N 1 0 342.399 2.598 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000179405562 473684684 /nfs/dbraw/zinc/68/46/84/473684684.db2.gz KTWXVBLNKYTNDL-STQMWFEESA-N 1 0 335.404 2.655 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)c1ccco1 ZINC000186524760 473685945 /nfs/dbraw/zinc/68/59/45/473685945.db2.gz PUHPOOMCZNZYEO-SWLSCSKDSA-N 1 0 347.371 2.618 20 5 EFBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192530035 473688930 /nfs/dbraw/zinc/68/89/30/473688930.db2.gz QHUUSDNYSPRDKW-UHFFFAOYSA-N 1 0 329.400 2.748 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000172823488 473689127 /nfs/dbraw/zinc/68/91/27/473689127.db2.gz NHWSHHSHJQNNDW-HNNXBMFYSA-N 1 0 347.419 2.843 20 5 EFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000172832671 473690241 /nfs/dbraw/zinc/69/02/41/473690241.db2.gz JQCXQOGMQOITPL-UHFFFAOYSA-N 1 0 343.383 2.716 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000172833913 473690858 /nfs/dbraw/zinc/69/08/58/473690858.db2.gz VCWICIADENYOSC-ZNFPLGDCSA-N 1 0 331.416 2.941 20 5 EFBDRO CC[NH+](CC)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000192593178 473695000 /nfs/dbraw/zinc/69/50/00/473695000.db2.gz XAEKKGQBWJHZCF-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192629738 473698082 /nfs/dbraw/zinc/69/80/82/473698082.db2.gz JLGBTXJUOUJHEK-BBRMVZONSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000192681076 473705185 /nfs/dbraw/zinc/70/51/85/473705185.db2.gz HUQFQEQGGPACOH-CYBMUJFWSA-N 1 0 331.416 2.955 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000192693200 473706490 /nfs/dbraw/zinc/70/64/90/473706490.db2.gz UIEUVODQDKZQQT-QGZVFWFLSA-N 1 0 331.416 2.964 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCSC ZINC000281404691 473709718 /nfs/dbraw/zinc/70/97/18/473709718.db2.gz NUSDVWZLUVOOMP-NSHDSACASA-N 1 0 341.433 2.615 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000274047500 473715470 /nfs/dbraw/zinc/71/54/70/473715470.db2.gz MSXUPRFAAAFELG-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[NH2+]C1 ZINC000269181453 473721394 /nfs/dbraw/zinc/72/13/94/473721394.db2.gz IDRNTZIZKFHSGG-QWRGUYRKSA-N 1 0 333.413 2.927 20 5 EFBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000281443143 473722580 /nfs/dbraw/zinc/72/25/80/473722580.db2.gz QCQICJPUUCDJSF-LBPRGKRZSA-N 1 0 341.795 2.688 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000269204580 473730634 /nfs/dbraw/zinc/73/06/34/473730634.db2.gz PPFFFNIDKKGEJG-UKRRQHHQSA-N 1 0 342.399 2.632 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000269204582 473731093 /nfs/dbraw/zinc/73/10/93/473731093.db2.gz PPFFFNIDKKGEJG-ZFWWWQNUSA-N 1 0 342.399 2.632 20 5 EFBDRO CN(C)c1ccc(COC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000192824615 473733600 /nfs/dbraw/zinc/73/36/00/473733600.db2.gz BVVSFMYRQDRSCK-UHFFFAOYSA-N 1 0 347.415 2.578 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000173048164 473734570 /nfs/dbraw/zinc/73/45/70/473734570.db2.gz UNKJBSMHMLMQGK-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000173048159 473734576 /nfs/dbraw/zinc/73/45/76/473734576.db2.gz UNKJBSMHMLMQGK-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)N1CCOCC1 ZINC000192836757 473735317 /nfs/dbraw/zinc/73/53/17/473735317.db2.gz CVEWXNCNPNMPIQ-SUNYJGFJSA-N 1 0 333.432 2.671 20 5 EFBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000192884629 473742005 /nfs/dbraw/zinc/74/20/05/473742005.db2.gz MBEXJAJTXVCAPB-RDTXWAMCSA-N 1 0 333.432 2.530 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287723157 473743488 /nfs/dbraw/zinc/74/34/88/473743488.db2.gz FJLGGUDGOYQACR-LLVKDONJSA-N 1 0 335.433 2.989 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186758527 473750324 /nfs/dbraw/zinc/75/03/24/473750324.db2.gz GEQIERODNCWDPB-HNNXBMFYSA-N 1 0 333.432 2.716 20 5 EFBDRO O=C(NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000179910889 473753026 /nfs/dbraw/zinc/75/30/26/473753026.db2.gz JIOKEETXAOEWDL-HWKANZROSA-N 1 0 329.400 2.599 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000186791558 473756433 /nfs/dbraw/zinc/75/64/33/473756433.db2.gz YRCDNQXSPDIWAE-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO Cc1c(CC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245904481 473758961 /nfs/dbraw/zinc/75/89/61/473758961.db2.gz BTQKMWNYYXCEKA-RBSFLKMASA-N 1 0 347.459 2.928 20 5 EFBDRO O=C(NCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000193014173 473760102 /nfs/dbraw/zinc/76/01/02/473760102.db2.gz WDMOSNHPXCFKMQ-KRWDZBQOSA-N 1 0 331.416 2.868 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179983167 473769495 /nfs/dbraw/zinc/76/94/95/473769495.db2.gz MLYCUWGHSCONMX-UHFFFAOYSA-N 1 0 349.337 2.704 20 5 EFBDRO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCC1 ZINC000193213494 473776110 /nfs/dbraw/zinc/77/61/10/473776110.db2.gz RWHVCPNPUGVTTP-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315947 473780044 /nfs/dbraw/zinc/78/00/44/473780044.db2.gz YUPUPENTONXKJZ-CQSZACIVSA-N 1 0 334.347 2.606 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173255645 473782312 /nfs/dbraw/zinc/78/23/12/473782312.db2.gz KAWUEKFEEDTJRM-MRXNPFEDSA-N 1 0 331.416 2.518 20 5 EFBDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193382559 473785799 /nfs/dbraw/zinc/78/57/99/473785799.db2.gz KXYIMRPYPSHWBW-CYBMUJFWSA-N 1 0 346.431 2.829 20 5 EFBDRO COc1cc(CN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000274341232 473787998 /nfs/dbraw/zinc/78/79/98/473787998.db2.gz UNTXOTBMVLFVDM-UHFFFAOYSA-N 1 0 325.384 2.659 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173275603 473790279 /nfs/dbraw/zinc/79/02/79/473790279.db2.gz SSJRIXYXTRIJSR-CQSZACIVSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173333969 473808785 /nfs/dbraw/zinc/80/87/85/473808785.db2.gz LPJKLTXRDPBECU-AWEZNQCLSA-N 1 0 327.384 2.904 20 5 EFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000269453835 473816783 /nfs/dbraw/zinc/81/67/83/473816783.db2.gz RJXHGSPYUKYNJV-UHFFFAOYSA-N 1 0 345.403 2.798 20 5 EFBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173371986 473818773 /nfs/dbraw/zinc/81/87/73/473818773.db2.gz DSHMNJQEZODNKL-ZDUSSCGKSA-N 1 0 343.383 2.771 20 5 EFBDRO CN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000263722183 473819772 /nfs/dbraw/zinc/81/97/72/473819772.db2.gz KBMNZQCLMMKQGX-SNVBAGLBSA-N 1 0 349.774 2.829 20 5 EFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000246299349 473821302 /nfs/dbraw/zinc/82/13/02/473821302.db2.gz PORRKLROZJUCOY-WMLDXEAASA-N 1 0 329.400 2.570 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000281747680 473826567 /nfs/dbraw/zinc/82/65/67/473826567.db2.gz PHCRIMWLZYWQAD-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000180214882 473830532 /nfs/dbraw/zinc/83/05/32/473830532.db2.gz NKCRUNNRIRHJAD-UHFFFAOYSA-N 1 0 346.412 2.698 20 5 EFBDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246346497 473834852 /nfs/dbraw/zinc/83/48/52/473834852.db2.gz JKLAJVNXAUOPTM-KGLIPLIRSA-N 1 0 335.404 2.670 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194062008 473835314 /nfs/dbraw/zinc/83/53/14/473835314.db2.gz OISWQQANQCUELA-HIFRSBDPSA-N 1 0 334.376 2.562 20 5 EFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173426441 473835512 /nfs/dbraw/zinc/83/55/12/473835512.db2.gz UKYMBBWIBAZPFL-KZULUSFZSA-N 1 0 346.383 2.996 20 5 EFBDRO COC(=O)C1CC[NH+](CCCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263768600 473841260 /nfs/dbraw/zinc/84/12/60/473841260.db2.gz SCVIBSXMQZLRNI-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000281880963 473868973 /nfs/dbraw/zinc/86/89/73/473868973.db2.gz GFTWLGNJWDVLDS-WFASDCNBSA-N 1 0 348.403 2.551 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000281880955 473869351 /nfs/dbraw/zinc/86/93/51/473869351.db2.gz GFTWLGNJWDVLDS-IUODEOHRSA-N 1 0 348.403 2.551 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000269704752 473869367 /nfs/dbraw/zinc/86/93/67/473869367.db2.gz ZGLQEJNRDHJYRI-DOTOQJQBSA-N 1 0 348.378 2.519 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180411202 473871160 /nfs/dbraw/zinc/87/11/60/473871160.db2.gz UGOQNHNKRKVVLN-LLVKDONJSA-N 1 0 346.362 2.996 20 5 EFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263846238 473875013 /nfs/dbraw/zinc/87/50/13/473875013.db2.gz DIBOGTWEVISLTQ-UHFFFAOYSA-N 1 0 330.388 2.647 20 5 EFBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000288208580 473875239 /nfs/dbraw/zinc/87/52/39/473875239.db2.gz LKLYFIUVSHQXPC-HIFRSBDPSA-N 1 0 329.404 2.712 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426025 473875396 /nfs/dbraw/zinc/87/53/96/473875396.db2.gz KJUQWLHOMLAVRD-BZNIZROVSA-N 1 0 331.328 2.887 20 5 EFBDRO CCc1nn(C)cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180431883 473877313 /nfs/dbraw/zinc/87/73/13/473877313.db2.gz WOSUHVITFNJDKP-UHFFFAOYSA-N 1 0 344.415 2.934 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000288218999 473878589 /nfs/dbraw/zinc/87/85/89/473878589.db2.gz DPNXOGWEDFTWIW-YOEHRIQHSA-N 1 0 345.443 2.958 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000281936840 473891321 /nfs/dbraw/zinc/89/13/21/473891321.db2.gz LAFUGHRRJIVCGW-LBPRGKRZSA-N 1 0 348.403 2.765 20 5 EFBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274618101 473897837 /nfs/dbraw/zinc/89/78/37/473897837.db2.gz VPWLDBSNWYZXLQ-LBPRGKRZSA-N 1 0 327.768 2.569 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000274625779 473899970 /nfs/dbraw/zinc/89/99/70/473899970.db2.gz GVPXJMHHOMKCQK-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274677929 473917634 /nfs/dbraw/zinc/91/76/34/473917634.db2.gz MZZDNNIABVWOKX-HUUCEWRRSA-N 1 0 325.409 2.750 20 5 EFBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)O1 ZINC000274700017 473926028 /nfs/dbraw/zinc/92/60/28/473926028.db2.gz UDPKCKGTIJBKNI-VXGBXAGGSA-N 1 0 340.399 2.617 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173770029 473928574 /nfs/dbraw/zinc/92/85/74/473928574.db2.gz MDVDDENDEXUZQP-NWDGAFQWSA-N 1 0 326.418 2.808 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173770005 473929098 /nfs/dbraw/zinc/92/90/98/473929098.db2.gz MDVDDENDEXUZQP-RYUDHWBXSA-N 1 0 326.418 2.808 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288391032 473930126 /nfs/dbraw/zinc/93/01/26/473930126.db2.gz MHUHYFHQPLQWCL-LLVKDONJSA-N 1 0 335.433 2.768 20 5 EFBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246738483 473946902 /nfs/dbraw/zinc/94/69/02/473946902.db2.gz MNWLVIFHRQXYIN-RDTXWAMCSA-N 1 0 342.395 2.781 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288489758 473957377 /nfs/dbraw/zinc/95/73/77/473957377.db2.gz RLWVWKWAXUDZGZ-KGLIPLIRSA-N 1 0 347.415 2.692 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000274791654 473960855 /nfs/dbraw/zinc/96/08/55/473960855.db2.gz RXBBUZKEJSTIGO-MRXNPFEDSA-N 1 0 327.388 2.707 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000264377566 473968270 /nfs/dbraw/zinc/96/82/70/473968270.db2.gz WNOOQYSBWTUFNK-HNNXBMFYSA-N 1 0 348.374 2.683 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)CC ZINC000274815996 473970932 /nfs/dbraw/zinc/97/09/32/473970932.db2.gz WMSJPSIEEMMIIR-GFCCVEGCSA-N 1 0 325.434 2.533 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000194936202 473978248 /nfs/dbraw/zinc/97/82/48/473978248.db2.gz IEFPJUXKGJMDLH-HOCLYGCPSA-N 1 0 343.427 2.992 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288560607 473981778 /nfs/dbraw/zinc/98/17/78/473981778.db2.gz WFCIUTILTCCGQD-YPMHNXCESA-N 1 0 337.807 2.947 20 5 EFBDRO CSc1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000188106495 473983910 /nfs/dbraw/zinc/98/39/10/473983910.db2.gz RMVPJSPGEIUCGM-UHFFFAOYSA-N 1 0 337.445 2.778 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282233173 473990430 /nfs/dbraw/zinc/99/04/30/473990430.db2.gz ZMLCXCGORVMVSS-MRXNPFEDSA-N 1 0 347.415 2.862 20 5 EFBDRO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244058 474011541 /nfs/dbraw/zinc/01/15/41/474011541.db2.gz WPWRTECEMNOMKC-CYBMUJFWSA-N 1 0 349.431 2.741 20 5 EFBDRO CSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000188226612 474026378 /nfs/dbraw/zinc/02/63/78/474026378.db2.gz QJGQQRHXSMKBNW-JSGCOSHPSA-N 1 0 349.456 2.873 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000174393299 474034513 /nfs/dbraw/zinc/03/45/13/474034513.db2.gz PUDOSUSVBKGRAG-OAHLLOKOSA-N 1 0 334.420 2.611 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270224403 474035244 /nfs/dbraw/zinc/03/52/44/474035244.db2.gz NDHMEVJIKVRODV-QGZVFWFLSA-N 1 0 345.443 2.718 20 5 EFBDRO CC(=O)c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270233555 474037828 /nfs/dbraw/zinc/03/78/28/474037828.db2.gz VMQVWSIFJXVSIJ-INIZCTEOSA-N 1 0 331.416 2.966 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181533926 474045890 /nfs/dbraw/zinc/04/58/90/474045890.db2.gz SCQMINZRHYYNAJ-GFCCVEGCSA-N 1 0 329.356 2.898 20 5 EFBDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000264584574 474049223 /nfs/dbraw/zinc/04/92/23/474049223.db2.gz KIKZMCOPFHDRSD-RHSMWYFYSA-N 1 0 346.431 2.926 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181581578 474050490 /nfs/dbraw/zinc/05/04/90/474050490.db2.gz KQOFSQWOUKKLJZ-LLVKDONJSA-N 1 0 345.355 2.598 20 5 EFBDRO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000181592751 474050770 /nfs/dbraw/zinc/05/07/70/474050770.db2.gz BTFKQELLGSAJNG-CYBMUJFWSA-N 1 0 328.434 2.735 20 5 EFBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000288788286 474052092 /nfs/dbraw/zinc/05/20/92/474052092.db2.gz JXLMMXMQFBSODE-KBPBESRZSA-N 1 0 345.399 2.885 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000270269778 474052328 /nfs/dbraw/zinc/05/23/28/474052328.db2.gz TUQOIKIRMROSDZ-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275055056 474056507 /nfs/dbraw/zinc/05/65/07/474056507.db2.gz IWWMLFOTLUMNAT-HOTGVXAUSA-N 1 0 339.436 2.746 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174534143 474058218 /nfs/dbraw/zinc/05/82/18/474058218.db2.gz JWFSROZMUGTXPV-IWAYRVGRSA-N 1 0 343.427 2.942 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000264617276 474062209 /nfs/dbraw/zinc/06/22/09/474062209.db2.gz QWTSLVRHWFELRY-MRXNPFEDSA-N 1 0 347.415 2.522 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000264617275 474062226 /nfs/dbraw/zinc/06/22/26/474062226.db2.gz QWTSLVRHWFELRY-INIZCTEOSA-N 1 0 347.415 2.522 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000181772337 474063150 /nfs/dbraw/zinc/06/31/50/474063150.db2.gz WIWLLXIQLCXXBL-CQSZACIVSA-N 1 0 329.400 2.712 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264632040 474066933 /nfs/dbraw/zinc/06/69/33/474066933.db2.gz RNBUCXXUDFKAFV-SWLSCSKDSA-N 1 0 345.403 2.732 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182016886 474081071 /nfs/dbraw/zinc/08/10/71/474081071.db2.gz SJSJCYBCKUSXKE-QGZVFWFLSA-N 1 0 349.431 2.778 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000182069276 474092317 /nfs/dbraw/zinc/09/23/17/474092317.db2.gz GXRKHUAZFSAPSF-CYBMUJFWSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn[nH]c1 ZINC000275182519 474096085 /nfs/dbraw/zinc/09/60/85/474096085.db2.gz NLBOXQKUHOFDJN-LLVKDONJSA-N 1 0 327.344 2.866 20 5 EFBDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174830460 474103611 /nfs/dbraw/zinc/10/36/11/474103611.db2.gz PEBUITIBNAWUAD-UHFFFAOYSA-N 1 0 338.795 2.846 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000174840486 474104330 /nfs/dbraw/zinc/10/43/30/474104330.db2.gz RLFZWBGWCGZHBS-UHFFFAOYSA-N 1 0 333.367 2.507 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccncc3Cl)C2)nc1 ZINC000174867426 474107948 /nfs/dbraw/zinc/10/79/48/474107948.db2.gz VPZPHRKDXBMPBH-GFCCVEGCSA-N 1 0 333.779 2.725 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247290379 474110204 /nfs/dbraw/zinc/11/02/04/474110204.db2.gz KTHWCFSHYSYZAT-HUUCEWRRSA-N 1 0 348.447 2.933 20 5 EFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275241209 474116090 /nfs/dbraw/zinc/11/60/90/474116090.db2.gz OOXKQMHOZATHRK-CVEARBPZSA-N 1 0 335.404 2.779 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000182209624 474123245 /nfs/dbraw/zinc/12/32/45/474123245.db2.gz KOJPROPUOHKHDL-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000182270378 474138271 /nfs/dbraw/zinc/13/82/71/474138271.db2.gz JUUAMNOGLOTGNM-HZPDHXFCSA-N 1 0 343.383 2.567 20 5 EFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282675115 474151379 /nfs/dbraw/zinc/15/13/79/474151379.db2.gz HIFLIEBNIOQQDL-HNNXBMFYSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182394315 474165644 /nfs/dbraw/zinc/16/56/44/474165644.db2.gz HBHXYUBKTGALCP-GOEBONIOSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1ccnc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000265245249 474170466 /nfs/dbraw/zinc/17/04/66/474170466.db2.gz PRUUEAQSMSHYPX-HUUCEWRRSA-N 1 0 348.447 2.624 20 5 EFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(F)c1 ZINC000270567778 474171671 /nfs/dbraw/zinc/17/16/71/474171671.db2.gz MQOKNFWKWIAUKG-UHFFFAOYSA-N 1 0 333.363 2.806 20 5 EFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188717225 474176354 /nfs/dbraw/zinc/17/63/54/474176354.db2.gz ZLCYDHMTHXIKDR-QWHCGFSZSA-N 1 0 349.431 2.762 20 5 EFBDRO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175281533 474178395 /nfs/dbraw/zinc/17/83/95/474178395.db2.gz RLUAFDRYYHDRCN-AWEZNQCLSA-N 1 0 349.431 2.693 20 5 EFBDRO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175281513 474179377 /nfs/dbraw/zinc/17/93/77/474179377.db2.gz RLUAFDRYYHDRCN-CQSZACIVSA-N 1 0 349.431 2.693 20 5 EFBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247591506 474187503 /nfs/dbraw/zinc/18/75/03/474187503.db2.gz MNUJDIUFHUCQNK-RHSMWYFYSA-N 1 0 330.388 2.753 20 5 EFBDRO O=[N+]([O-])c1cccnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265384688 474195370 /nfs/dbraw/zinc/19/53/70/474195370.db2.gz DMBZVEWIBXGKFJ-JTQLQIEISA-N 1 0 346.416 2.534 20 5 EFBDRO O=[N+]([O-])c1cccnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265384690 474195917 /nfs/dbraw/zinc/19/59/17/474195917.db2.gz DMBZVEWIBXGKFJ-SNVBAGLBSA-N 1 0 346.416 2.534 20 5 EFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275480938 474202276 /nfs/dbraw/zinc/20/22/76/474202276.db2.gz DXDYOZILBAQXCY-LBPRGKRZSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247731643 474204259 /nfs/dbraw/zinc/20/42/59/474204259.db2.gz VFXVHHKCGPYSEX-GOEBONIOSA-N 1 0 330.388 2.753 20 5 EFBDRO CC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247734417 474205828 /nfs/dbraw/zinc/20/58/28/474205828.db2.gz VHQNGTGRAIYBOC-RISCZKNCSA-N 1 0 332.360 2.644 20 5 EFBDRO CC1(C)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000175397660 474206947 /nfs/dbraw/zinc/20/69/47/474206947.db2.gz YCVMDHCGFYQFTR-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000282832099 474210271 /nfs/dbraw/zinc/21/02/71/474210271.db2.gz LQJDEIJGCJKDMZ-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000289290104 474211851 /nfs/dbraw/zinc/21/18/51/474211851.db2.gz HAXQTZQSECBZLH-JKSUJKDBSA-N 1 0 347.415 2.521 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265434233 474212884 /nfs/dbraw/zinc/21/28/84/474212884.db2.gz GKDINCJTHWIQFE-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO CSc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000289301282 474215115 /nfs/dbraw/zinc/21/51/15/474215115.db2.gz SDUMVXHSQFPLKO-HAQNSBGRSA-N 1 0 337.445 2.812 20 5 EFBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265452958 474219480 /nfs/dbraw/zinc/21/94/80/474219480.db2.gz LFBDWFDFCKLFHV-LLVKDONJSA-N 1 0 348.432 2.780 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCC1 ZINC000282864080 474223500 /nfs/dbraw/zinc/22/35/00/474223500.db2.gz CYAAUYSFLITQOB-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2ccccc2o1 ZINC000182647622 474225645 /nfs/dbraw/zinc/22/56/45/474225645.db2.gz DPOYPBWDNIHWSD-GFCCVEGCSA-N 1 0 327.340 2.854 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2ccccc2o1 ZINC000182647602 474225686 /nfs/dbraw/zinc/22/56/86/474225686.db2.gz DPOYPBWDNIHWSD-LBPRGKRZSA-N 1 0 327.340 2.854 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000275602374 474248381 /nfs/dbraw/zinc/24/83/81/474248381.db2.gz QKZLKKIPMANEPF-DLBZAZTESA-N 1 0 330.388 2.647 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248053483 474251106 /nfs/dbraw/zinc/25/11/06/474251106.db2.gz XWLOEZPWWJOFHJ-UHFFFAOYSA-N 1 0 327.384 2.799 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248122594 474262090 /nfs/dbraw/zinc/26/20/90/474262090.db2.gz NOVJSOUAAHQNEV-IUODEOHRSA-N 1 0 349.456 2.873 20 5 EFBDRO CC[NH+]1CCC(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000231629127 474264212 /nfs/dbraw/zinc/26/42/12/474264212.db2.gz HSRZMXPJWVJGCQ-UHFFFAOYSA-N 1 0 343.225 2.896 20 5 EFBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000231628927 474264322 /nfs/dbraw/zinc/26/43/22/474264322.db2.gz GONNKBHGXIRCHU-SECBINFHSA-N 1 0 341.209 2.649 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850775 474271297 /nfs/dbraw/zinc/27/12/97/474271297.db2.gz HGTUKRJTNSGQBJ-QWHCGFSZSA-N 1 0 346.431 2.560 20 5 EFBDRO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000265629356 474273833 /nfs/dbraw/zinc/27/38/33/474273833.db2.gz JADBFSHFARNPPF-UHFFFAOYSA-N 1 0 331.376 2.584 20 5 EFBDRO CN(Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCN(C)C1=O ZINC000265636213 474276646 /nfs/dbraw/zinc/27/66/46/474276646.db2.gz HUEBFZAOGAOYQN-MRXNPFEDSA-N 1 0 336.391 2.609 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270813783 474277370 /nfs/dbraw/zinc/27/73/70/474277370.db2.gz OXOOXJRCYRHPJW-CYBMUJFWSA-N 1 0 334.420 2.609 20 5 EFBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289510194 474302607 /nfs/dbraw/zinc/30/26/07/474302607.db2.gz VAVCPXSVDPUPOA-QGZVFWFLSA-N 1 0 345.399 2.848 20 5 EFBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000175820834 474316085 /nfs/dbraw/zinc/31/60/85/474316085.db2.gz LLMSXZMKKJJZQJ-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO COCCCn1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283164272 474324824 /nfs/dbraw/zinc/32/48/24/474324824.db2.gz YMOGUDWRNFNMPD-UHFFFAOYSA-N 1 0 332.404 2.502 20 5 EFBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000270959829 474339741 /nfs/dbraw/zinc/33/97/41/474339741.db2.gz ZEBLJZYSQSYUHL-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO CCc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000270965054 474342418 /nfs/dbraw/zinc/34/24/18/474342418.db2.gz SEZHIQBYHXTSJX-CYBMUJFWSA-N 1 0 333.432 2.960 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000275857146 474342670 /nfs/dbraw/zinc/34/26/70/474342670.db2.gz IOKOVGFFSQFRJY-ZDUSSCGKSA-N 1 0 329.404 2.946 20 5 EFBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248545020 474352040 /nfs/dbraw/zinc/35/20/40/474352040.db2.gz DGUUDFIJOFYVJY-MQIPJXDCSA-N 1 0 337.395 2.636 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289647891 474361668 /nfs/dbraw/zinc/36/16/68/474361668.db2.gz DOPCXVJJCGZAGP-NSHDSACASA-N 1 0 330.331 2.959 20 5 EFBDRO CC(C)(C(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265863900 474365516 /nfs/dbraw/zinc/36/55/16/474365516.db2.gz ZQSOMHDDMQNUEZ-UHFFFAOYSA-N 1 0 333.432 2.865 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248599392 474371500 /nfs/dbraw/zinc/37/15/00/474371500.db2.gz UPUCEFQMPZINBI-RWMBFGLXSA-N 1 0 337.395 2.826 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000289695504 474380444 /nfs/dbraw/zinc/38/04/44/474380444.db2.gz NNKVYICOZUMZIS-GHMZBOCLSA-N 1 0 339.342 2.572 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000289695530 474380588 /nfs/dbraw/zinc/38/05/88/474380588.db2.gz NNKVYICOZUMZIS-MNOVXSKESA-N 1 0 339.342 2.572 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916620 474384768 /nfs/dbraw/zinc/38/47/68/474384768.db2.gz ZDVNCUVGLHDLIU-AAEUAGOBSA-N 1 0 346.836 2.694 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265933194 474391778 /nfs/dbraw/zinc/39/17/78/474391778.db2.gz DZGFRIUWEMWEBG-GWCFXTLKSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183614264 474401645 /nfs/dbraw/zinc/40/16/45/474401645.db2.gz DRAOHVANCNTHQV-STQMWFEESA-N 1 0 347.419 2.764 20 5 EFBDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000271147376 474404325 /nfs/dbraw/zinc/40/43/25/474404325.db2.gz AWUUZBMXCUBYRL-UHFFFAOYSA-N 1 0 326.393 2.595 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)cc1 ZINC000176192972 474405241 /nfs/dbraw/zinc/40/52/41/474405241.db2.gz BTLLRWDMBGDJPL-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1OC(F)(F)F ZINC000176202624 474408230 /nfs/dbraw/zinc/40/82/30/474408230.db2.gz SXQYCQNHXDXXFR-UHFFFAOYSA-N 1 0 344.293 2.822 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000176207222 474408856 /nfs/dbraw/zinc/40/88/56/474408856.db2.gz DLALLZJILXWRIY-ZDUSSCGKSA-N 1 0 341.371 2.812 20 5 EFBDRO CCCNC(=O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271159311 474410600 /nfs/dbraw/zinc/41/06/00/474410600.db2.gz RUUWQBMHWAMHOC-GFCCVEGCSA-N 1 0 325.434 2.581 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000265981056 474411698 /nfs/dbraw/zinc/41/16/98/474411698.db2.gz AMGQMHQBYJIVJB-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248714576 474412520 /nfs/dbraw/zinc/41/25/20/474412520.db2.gz BSTKBIWUBHPLFN-BMFZPTHFSA-N 1 0 345.443 2.905 20 5 EFBDRO NC(=O)CCC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271163168 474413358 /nfs/dbraw/zinc/41/33/58/474413358.db2.gz KSNJEYZKWTWBRU-UHFFFAOYSA-N 1 0 325.796 2.726 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(COc3ccccc3)CC2)n1 ZINC000176242579 474418614 /nfs/dbraw/zinc/41/86/14/474418614.db2.gz NCABKZYPDVHZMQ-UHFFFAOYSA-N 1 0 330.388 2.582 20 5 EFBDRO C[C@@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000176248990 474421459 /nfs/dbraw/zinc/42/14/59/474421459.db2.gz NCHZRXPUXSLAQR-XJKSGUPXSA-N 1 0 332.429 2.970 20 5 EFBDRO CC1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]2CCCO2)CC1 ZINC000176267062 474425047 /nfs/dbraw/zinc/42/50/47/474425047.db2.gz UPNQEMRWISLJMG-UYSNPLJNSA-N 1 0 336.436 2.851 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000283551510 474434231 /nfs/dbraw/zinc/43/42/31/474434231.db2.gz TZLPQEHOPHBSBO-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000276166801 474438857 /nfs/dbraw/zinc/43/88/57/474438857.db2.gz RNPZPQKPPVXHOT-DYVFJYSZSA-N 1 0 331.416 2.884 20 5 EFBDRO C[C@](C[NH3+])(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000237624881 474442619 /nfs/dbraw/zinc/44/26/19/474442619.db2.gz VBGIQCMIDJHBOV-MRXNPFEDSA-N 1 0 346.412 2.576 20 5 EFBDRO COCCOCCOCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000276216148 474456719 /nfs/dbraw/zinc/45/67/19/474456719.db2.gz IFWKJLIEMGUAJK-HNNXBMFYSA-N 1 0 340.420 2.576 20 5 EFBDRO CCOc1cccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000184041280 474463499 /nfs/dbraw/zinc/46/34/99/474463499.db2.gz OCVYQHVMLXWHEL-CQSZACIVSA-N 1 0 337.420 2.762 20 5 EFBDRO COC[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289871010 474465091 /nfs/dbraw/zinc/46/50/91/474465091.db2.gz PAXOMEVFOUZOOX-QGZVFWFLSA-N 1 0 348.424 2.861 20 5 EFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000289873394 474465105 /nfs/dbraw/zinc/46/51/05/474465105.db2.gz VWCHHHWBNGWGPD-UKRRQHHQSA-N 1 0 349.431 2.671 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176426549 474470868 /nfs/dbraw/zinc/47/08/68/474470868.db2.gz HJTHQMNDJRBMPO-LXZKKBNFSA-N 1 0 346.431 2.924 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266779075 474479464 /nfs/dbraw/zinc/47/94/64/474479464.db2.gz CEZUNCKNFIRGHJ-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266779071 474479709 /nfs/dbraw/zinc/47/97/09/474479709.db2.gz CEZUNCKNFIRGHJ-WMLDXEAASA-N 1 0 330.384 2.994 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)nc2c1 ZINC000289908795 474481939 /nfs/dbraw/zinc/48/19/39/474481939.db2.gz XUUOEEYLUXFZKE-PELKAZGASA-N 1 0 344.293 2.671 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184225785 474488460 /nfs/dbraw/zinc/48/84/60/474488460.db2.gz XAYPEZWKWUIEKE-CYBMUJFWSA-N 1 0 325.384 2.659 20 5 EFBDRO COc1cc(CNc2nc3cc(F)ccc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000184255970 474491041 /nfs/dbraw/zinc/49/10/41/474491041.db2.gz KHNWQFPOVBBMCM-UHFFFAOYSA-N 1 0 346.318 2.947 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248976851 474496471 /nfs/dbraw/zinc/49/64/71/474496471.db2.gz DYBWNYYXENRSDR-AAEUAGOBSA-N 1 0 337.445 2.915 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000289949661 474498857 /nfs/dbraw/zinc/49/88/57/474498857.db2.gz XPDQMGZWEJTXRW-XJKSGUPXSA-N 1 0 332.404 2.715 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000289949653 474499064 /nfs/dbraw/zinc/49/90/64/474499064.db2.gz XPDQMGZWEJTXRW-CJNGLKHVSA-N 1 0 332.404 2.715 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237920278 474503629 /nfs/dbraw/zinc/50/36/29/474503629.db2.gz FNBPWGPGRHXYCJ-QGZVFWFLSA-N 1 0 342.399 2.603 20 5 EFBDRO Cn1cc(C[NH2+]C[C@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237929052 474506452 /nfs/dbraw/zinc/50/64/52/474506452.db2.gz WHBNNJMUDBZFRS-CYBMUJFWSA-N 1 0 330.388 2.512 20 5 EFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289972388 474508627 /nfs/dbraw/zinc/50/86/27/474508627.db2.gz XHCMMFAUHGTOMM-UHOFOFEASA-N 1 0 347.415 2.811 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000283847371 474511771 /nfs/dbraw/zinc/51/17/71/474511771.db2.gz GYYAXCJAXFKTCE-AGUYFDCRSA-N 1 0 347.415 2.739 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237987071 474516580 /nfs/dbraw/zinc/51/65/80/474516580.db2.gz YZBOVEWAPUTAOS-GFCCVEGCSA-N 1 0 346.412 2.590 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000276385309 474520941 /nfs/dbraw/zinc/52/09/41/474520941.db2.gz ZBMHNXVVNXZIFX-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000290005479 474522984 /nfs/dbraw/zinc/52/29/84/474522984.db2.gz DLBILJHXMBNONH-ZDUSSCGKSA-N 1 0 349.456 2.778 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176747135 474525643 /nfs/dbraw/zinc/52/56/43/474525643.db2.gz QMWWKMDNSQPQRU-ZFWWWQNUSA-N 1 0 334.420 2.700 20 5 EFBDRO [NH3+][C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000238041758 474525786 /nfs/dbraw/zinc/52/57/86/474525786.db2.gz PPVMFFCUWOOGRO-HNNXBMFYSA-N 1 0 340.383 2.806 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276401304 474527850 /nfs/dbraw/zinc/52/78/50/474527850.db2.gz KQERZQKJDAVUEY-CYBMUJFWSA-N 1 0 332.404 2.984 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CCCCCC1 ZINC000238067333 474530341 /nfs/dbraw/zinc/53/03/41/474530341.db2.gz VNDSNPBCJLGISP-UHFFFAOYSA-N 1 0 333.432 2.956 20 5 EFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000238090408 474533424 /nfs/dbraw/zinc/53/34/24/474533424.db2.gz MZZLBCMNQAWXBS-CYBMUJFWSA-N 1 0 325.796 2.886 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249131816 474534917 /nfs/dbraw/zinc/53/49/17/474534917.db2.gz LYJNBCCRVUJYOO-WCQYABFASA-N 1 0 337.445 2.729 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276417083 474534954 /nfs/dbraw/zinc/53/49/54/474534954.db2.gz NDNKWOBAZNRZPQ-UKRRQHHQSA-N 1 0 332.404 2.960 20 5 EFBDRO O=C(NCC[NH2+]C1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000238108807 474536000 /nfs/dbraw/zinc/53/60/00/474536000.db2.gz SAJBQTYJRHJOLL-UHFFFAOYSA-N 1 0 340.383 2.820 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2nc(C)no2)cc1[N+](=O)[O-] ZINC000271419936 474538308 /nfs/dbraw/zinc/53/83/08/474538308.db2.gz BOCBHIQDKVWWTP-LLVKDONJSA-N 1 0 334.376 2.968 20 5 EFBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995724 474545881 /nfs/dbraw/zinc/54/58/81/474545881.db2.gz HOMYXQFZFSIIGC-GXTWGEPZSA-N 1 0 347.390 2.818 20 5 EFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+](C)Cc1ccccc1 ZINC000266978863 474553694 /nfs/dbraw/zinc/55/36/94/474553694.db2.gz YQWVAUAUVUZSPX-CYBMUJFWSA-N 1 0 330.388 2.563 20 5 EFBDRO Cc1nn(C)c(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000266997810 474560161 /nfs/dbraw/zinc/56/01/61/474560161.db2.gz DSUZGZUUUPENDQ-CYBMUJFWSA-N 1 0 331.420 2.959 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249361741 474561266 /nfs/dbraw/zinc/56/12/66/474561266.db2.gz LRVSCAJQRGLQRT-GJZGRUSLSA-N 1 0 335.448 2.741 20 5 EFBDRO C[C@H](CO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000276485567 474561595 /nfs/dbraw/zinc/56/15/95/474561595.db2.gz UCSVWWNJEISOAA-GFCCVEGCSA-N 1 0 346.387 2.770 20 5 EFBDRO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190199264 474563110 /nfs/dbraw/zinc/56/31/10/474563110.db2.gz SHIMOFLLEKWVGG-ZDUSSCGKSA-N 1 0 349.431 2.906 20 5 EFBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000271474836 474563439 /nfs/dbraw/zinc/56/34/39/474563439.db2.gz ITPPIWNPEWXCRG-TZMCWYRMSA-N 1 0 332.322 2.819 20 5 EFBDRO C[C@H]1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271478679 474565316 /nfs/dbraw/zinc/56/53/16/474565316.db2.gz LMJVVHDQDOUQKG-UONOGXRCSA-N 1 0 344.415 2.900 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCSC1 ZINC000267026773 474568326 /nfs/dbraw/zinc/56/83/26/474568326.db2.gz AGNLTAFUCZUECW-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271505199 474574324 /nfs/dbraw/zinc/57/43/24/474574324.db2.gz MPOAGAAXYLMTKK-ZANVPECISA-N 1 0 336.310 2.957 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184649968 474574704 /nfs/dbraw/zinc/57/47/04/474574704.db2.gz NPEZXFXUBMUPCU-GFCCVEGCSA-N 1 0 326.418 2.537 20 5 EFBDRO Cc1cc(F)c(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000284114931 474575836 /nfs/dbraw/zinc/57/58/36/474575836.db2.gz TYHAHLVUGYHLPJ-GFCCVEGCSA-N 1 0 338.383 2.848 20 5 EFBDRO Cc1noc(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000271514017 474578398 /nfs/dbraw/zinc/57/83/98/474578398.db2.gz TUCJZHHDBMIXMR-OAHLLOKOSA-N 1 0 330.388 2.830 20 5 EFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC000190321747 474579213 /nfs/dbraw/zinc/57/92/13/474579213.db2.gz LWHKSZWNONDCBF-MRXNPFEDSA-N 1 0 336.436 2.589 20 5 EFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCSC1 ZINC000267072738 474582427 /nfs/dbraw/zinc/58/24/27/474582427.db2.gz IYQRMXDCLTXJMV-INIZCTEOSA-N 1 0 332.429 2.992 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000190351148 474583846 /nfs/dbraw/zinc/58/38/46/474583846.db2.gz JLIOPWLUYMIRDA-BRWVUGGUSA-N 1 0 342.399 2.652 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249520270 474585284 /nfs/dbraw/zinc/58/52/84/474585284.db2.gz LNRAVRXJBVSZLH-SGMGOOAPSA-N 1 0 335.404 2.956 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000184726529 474595601 /nfs/dbraw/zinc/59/56/01/474595601.db2.gz YNUFVKBYAWQNNL-AEFFLSMTSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284208499 474596373 /nfs/dbraw/zinc/59/63/73/474596373.db2.gz SVZCNKDBBQTUOK-MRXNPFEDSA-N 1 0 337.376 2.924 20 5 EFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249823986 474618742 /nfs/dbraw/zinc/61/87/42/474618742.db2.gz OZGMPQIQJGZNPU-VNHYZAJKSA-N 1 0 339.461 2.730 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000184846147 474618830 /nfs/dbraw/zinc/61/88/30/474618830.db2.gz BSTKBIWUBHPLFN-CWRNSKLLSA-N 1 0 345.443 2.905 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609135315 480116631 /nfs/dbraw/zinc/11/66/31/480116631.db2.gz DWODLOZXLMMTOW-ZDUSSCGKSA-N 1 0 337.445 2.919 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267248794 474628049 /nfs/dbraw/zinc/62/80/49/474628049.db2.gz UETMNWPYDGDGAM-OAHLLOKOSA-N 1 0 345.374 2.565 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609135314 480116731 /nfs/dbraw/zinc/11/67/31/480116731.db2.gz DWODLOZXLMMTOW-CYBMUJFWSA-N 1 0 337.445 2.919 20 5 EFBDRO Cc1cc(NC[C@@H](O)C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272890517 474635506 /nfs/dbraw/zinc/63/55/06/474635506.db2.gz XPIUOBZKYJOONH-QGZVFWFLSA-N 1 0 331.372 2.651 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000609133412 480116985 /nfs/dbraw/zinc/11/69/85/480116985.db2.gz ZFASPEDNHAZSDC-UHFFFAOYSA-N 1 0 328.368 2.910 20 5 EFBDRO CC(C)CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272904530 474638314 /nfs/dbraw/zinc/63/83/14/474638314.db2.gz FAYYONMTUCHHPS-ZDUSSCGKSA-N 1 0 328.434 2.783 20 5 EFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267316591 474646922 /nfs/dbraw/zinc/64/69/22/474646922.db2.gz FTLDYPYIFLQPNG-INIZCTEOSA-N 1 0 345.443 2.908 20 5 EFBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000267321068 474647769 /nfs/dbraw/zinc/64/77/69/474647769.db2.gz GXMNKIHISWVLNC-UHFFFAOYSA-N 1 0 346.431 2.622 20 5 EFBDRO C[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000272972533 474654973 /nfs/dbraw/zinc/65/49/73/474654973.db2.gz HUIABPPYKNKQFV-CQSZACIVSA-N 1 0 345.321 2.733 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1F ZINC000278492433 474659764 /nfs/dbraw/zinc/65/97/64/474659764.db2.gz YYRYUYNSGCOXCN-UHFFFAOYSA-N 1 0 349.362 2.839 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000344340128 474663116 /nfs/dbraw/zinc/66/31/16/474663116.db2.gz KSWNHQLXMQYRKQ-HNNXBMFYSA-N 1 0 325.368 2.769 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000267377009 474666065 /nfs/dbraw/zinc/66/60/65/474666065.db2.gz AHLBCWJOCWRIRJ-CYBMUJFWSA-N 1 0 346.387 2.585 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278506395 474667294 /nfs/dbraw/zinc/66/72/94/474667294.db2.gz XSKCLVHPNNBURL-SNVBAGLBSA-N 1 0 332.326 2.787 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC[C@H]21 ZINC000278508810 474669714 /nfs/dbraw/zinc/66/97/14/474669714.db2.gz XZIPJEWHEAPHRT-WDEREUQCSA-N 1 0 344.337 2.929 20 5 EFBDRO Cc1cc(N2CCN(C(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340789817 474670319 /nfs/dbraw/zinc/67/03/19/474670319.db2.gz DPPHCNGNKXRWNV-UHFFFAOYSA-N 1 0 328.372 2.508 20 5 EFBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000273050460 474690963 /nfs/dbraw/zinc/69/09/63/474690963.db2.gz QUFFNRKOGQWVIR-ZDUSSCGKSA-N 1 0 341.367 2.726 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000278540466 474691222 /nfs/dbraw/zinc/69/12/22/474691222.db2.gz NUOMZMZVUNXTEZ-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000278549522 474694759 /nfs/dbraw/zinc/69/47/59/474694759.db2.gz VSIKJNSYIPTZLN-ZBFHGGJFSA-N 1 0 343.431 2.956 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000291805678 474694982 /nfs/dbraw/zinc/69/49/82/474694982.db2.gz HGMHFDCBVXLVMC-GFCCVEGCSA-N 1 0 334.420 2.628 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H]2CCCCS2)c([N+](=O)[O-])cc1OC ZINC000344370845 474696015 /nfs/dbraw/zinc/69/60/15/474696015.db2.gz YWIOZTKUYHLQBR-LBPRGKRZSA-N 1 0 326.418 2.987 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273084360 474707656 /nfs/dbraw/zinc/70/76/56/474707656.db2.gz RKIPYXLLVNKDEK-QZTJIDSGSA-N 1 0 347.415 2.779 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000338894670 474709775 /nfs/dbraw/zinc/70/97/75/474709775.db2.gz ZIYJDOAPQRBWAY-GFCCVEGCSA-N 1 0 325.384 2.638 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000340847917 474713304 /nfs/dbraw/zinc/71/33/04/474713304.db2.gz HWKPBJIOFDFAIX-FABXCBLPSA-N 1 0 335.404 2.715 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000340847919 474713930 /nfs/dbraw/zinc/71/39/30/474713930.db2.gz HWKPBJIOFDFAIX-JDSLSITLSA-N 1 0 335.404 2.715 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291840528 474714827 /nfs/dbraw/zinc/71/48/27/474714827.db2.gz LUKFZWNMCAIQML-UHFFFAOYSA-N 1 0 348.447 2.861 20 5 EFBDRO COc1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000305203242 474714741 /nfs/dbraw/zinc/71/47/41/474714741.db2.gz YBKZJWXPCWBJGD-SFHVURJKSA-N 1 0 328.368 2.527 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000267939750 474715990 /nfs/dbraw/zinc/71/59/90/474715990.db2.gz HGKKIWBHCUWQSU-UKRRQHHQSA-N 1 0 332.404 2.960 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000340854699 474718482 /nfs/dbraw/zinc/71/84/82/474718482.db2.gz WHAXNXMMJCGWDO-PZSREKOKSA-N 1 0 335.404 2.715 20 5 EFBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC000292932894 474720087 /nfs/dbraw/zinc/72/00/87/474720087.db2.gz OTPDSEABXAISSQ-DTORHVGOSA-N 1 0 344.198 2.535 20 5 EFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000291870421 474725674 /nfs/dbraw/zinc/72/56/74/474725674.db2.gz JWUDACIINMHKKN-CQSZACIVSA-N 1 0 348.447 2.654 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000278597791 474727356 /nfs/dbraw/zinc/72/73/56/474727356.db2.gz ZJDIRMCYBZQZHF-WAZRQNRBSA-N 1 0 348.443 2.826 20 5 EFBDRO Cc1cccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000273150238 474743194 /nfs/dbraw/zinc/74/31/94/474743194.db2.gz XIYDBLWTSRSBFA-INIZCTEOSA-N 1 0 327.384 2.554 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284753294 474753729 /nfs/dbraw/zinc/75/37/29/474753729.db2.gz JOYHCZMJOHNGFJ-RNJTYBCJSA-N 1 0 334.416 2.908 20 5 EFBDRO CCSCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273166815 474754095 /nfs/dbraw/zinc/75/40/95/474754095.db2.gz OGZXFUWOIRLGLE-ZIAGYGMSSA-N 1 0 342.461 2.798 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000293013991 474766290 /nfs/dbraw/zinc/76/62/90/474766290.db2.gz KQTTUPJKXFKGEL-VIFPVBQESA-N 1 0 345.321 2.826 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](CC)CCC(F)(F)F ZINC000340906424 474766523 /nfs/dbraw/zinc/76/65/23/474766523.db2.gz PXQMHRNMRRLCOO-UHFFFAOYSA-N 1 0 337.346 2.806 20 5 EFBDRO O=C(NC1CC1)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609223427 480128514 /nfs/dbraw/zinc/12/85/14/480128514.db2.gz PRVULFOFRYMODB-UHFFFAOYSA-N 1 0 339.395 2.819 20 5 EFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCCO1 ZINC000273201233 474773617 /nfs/dbraw/zinc/77/36/17/474773617.db2.gz RMNHRZFYMHLIDI-ZDUSSCGKSA-N 1 0 339.367 2.563 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254953323 474778573 /nfs/dbraw/zinc/77/85/73/474778573.db2.gz OFKUSCKONKZJHD-HLRDLLSLSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284807527 474780842 /nfs/dbraw/zinc/78/08/42/474780842.db2.gz PAOMISFJNSVABP-IRXDYDNUSA-N 1 0 347.415 2.875 20 5 EFBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C1CC1 ZINC000268083610 474787908 /nfs/dbraw/zinc/78/79/08/474787908.db2.gz JCYGVEPWNVRLAJ-SNVBAGLBSA-N 1 0 340.811 2.530 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](O)COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000310072161 474823017 /nfs/dbraw/zinc/82/30/17/474823017.db2.gz NKDDOBHUGDIQIE-KRWDZBQOSA-N 1 0 330.384 2.571 20 5 EFBDRO CCOC(=O)c1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000268149295 474827418 /nfs/dbraw/zinc/82/74/18/474827418.db2.gz KDNJIMQDJCMOIF-UHFFFAOYSA-N 1 0 333.388 2.810 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000268162492 474836259 /nfs/dbraw/zinc/83/62/59/474836259.db2.gz OUWKYCCWVAKXPE-CABZTGNLSA-N 1 0 343.225 2.529 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284956755 474841180 /nfs/dbraw/zinc/84/11/80/474841180.db2.gz XCMLLFVKGWYEBM-SJORKVTESA-N 1 0 347.415 2.875 20 5 EFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000312057648 474846167 /nfs/dbraw/zinc/84/61/67/474846167.db2.gz BATZLYZIWANFKD-MWLCHTKSSA-N 1 0 328.210 2.886 20 5 EFBDRO COCC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273331548 474846128 /nfs/dbraw/zinc/84/61/28/474846128.db2.gz ZLBGUFTYUWDUPH-AWEZNQCLSA-N 1 0 347.371 2.884 20 5 EFBDRO C[C@H](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000273335271 474848811 /nfs/dbraw/zinc/84/88/11/474848811.db2.gz ZHSHQDUCFQDNJT-OAHLLOKOSA-N 1 0 348.447 2.701 20 5 EFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293174971 474854533 /nfs/dbraw/zinc/85/45/33/474854533.db2.gz WKDHZHBZHVYVFI-MEBBXXQBSA-N 1 0 330.331 2.837 20 5 EFBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292109546 474854799 /nfs/dbraw/zinc/85/47/99/474854799.db2.gz GWMQIWMXFTYNCA-HNNXBMFYSA-N 1 0 333.432 2.780 20 5 EFBDRO CCn1nccc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000278824714 474854905 /nfs/dbraw/zinc/85/49/05/474854905.db2.gz HUIWFKJALOFKIS-GOSISDBHSA-N 1 0 344.415 2.724 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000284992697 474855619 /nfs/dbraw/zinc/85/56/19/474855619.db2.gz JBBNVMNTJZCUIS-DZGCQCFKSA-N 1 0 336.388 2.755 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060525 474858039 /nfs/dbraw/zinc/85/80/39/474858039.db2.gz GWRGQIPFDDWAEG-MSOLQXFVSA-N 1 0 339.395 2.731 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000278829806 474859658 /nfs/dbraw/zinc/85/96/58/474859658.db2.gz VDIFWQDNEZOYOD-HUUCEWRRSA-N 1 0 349.456 2.555 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014445 474863670 /nfs/dbraw/zinc/86/36/70/474863670.db2.gz HGJZCWUPKBWQLI-GHJWDPDVSA-N 1 0 337.445 2.882 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](O)CC3)o2)c1 ZINC000293232395 474880377 /nfs/dbraw/zinc/88/03/77/474880377.db2.gz SIKRKSRVYLHOIM-OAHLLOKOSA-N 1 0 331.372 2.639 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292163305 474881632 /nfs/dbraw/zinc/88/16/32/474881632.db2.gz VIUCKKPDFVUBDE-NSHDSACASA-N 1 0 348.428 2.966 20 5 EFBDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084814 474886404 /nfs/dbraw/zinc/88/64/04/474886404.db2.gz PWEXSVOBJFVDGO-KRWDZBQOSA-N 1 0 345.447 2.538 20 5 EFBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000285081996 474887301 /nfs/dbraw/zinc/88/73/01/474887301.db2.gz JPPSZPGIGVZQQG-GFCCVEGCSA-N 1 0 344.419 2.528 20 5 EFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341021996 474888245 /nfs/dbraw/zinc/88/82/45/474888245.db2.gz AAEZOAWOXAADAN-UHFFFAOYSA-N 1 0 338.427 2.588 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OCC)c2)C1 ZINC000268252118 474888738 /nfs/dbraw/zinc/88/87/38/474888738.db2.gz ZOFFGPGXIDTTOR-CQSZACIVSA-N 1 0 349.431 2.940 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273438409 474896477 /nfs/dbraw/zinc/89/64/77/474896477.db2.gz AQWMRMSHENZOON-LSDHHAIUSA-N 1 0 349.456 2.555 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000273448335 474904067 /nfs/dbraw/zinc/90/40/67/474904067.db2.gz XOFCCVYVLHTWDP-CZUORRHYSA-N 1 0 327.384 2.650 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292212202 474906229 /nfs/dbraw/zinc/90/62/29/474906229.db2.gz UDZVVZYIZOCOQS-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292227450 474913152 /nfs/dbraw/zinc/91/31/52/474913152.db2.gz NFDMGJGQTUAUGL-NJELEJDNSA-N 1 0 349.818 2.816 20 5 EFBDRO Cc1cc(OCc2nc(C(C)(C)[NH3+])no2)c(Cl)cc1[N+](=O)[O-] ZINC000320656708 474914802 /nfs/dbraw/zinc/91/48/02/474914802.db2.gz HKZOHARRSGQIQW-UHFFFAOYSA-N 1 0 326.740 2.712 20 5 EFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292232199 474917117 /nfs/dbraw/zinc/91/71/17/474917117.db2.gz VYAKMMLVHMCAOC-CQSZACIVSA-N 1 0 348.374 2.999 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000273475791 474918000 /nfs/dbraw/zinc/91/80/00/474918000.db2.gz PMXDNRPRQVXCIA-LBPRGKRZSA-N 1 0 336.367 2.684 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292237533 474918901 /nfs/dbraw/zinc/91/89/01/474918901.db2.gz CUXCUQXGBQNDSU-LBPRGKRZSA-N 1 0 335.379 2.680 20 5 EFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000255958649 474923623 /nfs/dbraw/zinc/92/36/23/474923623.db2.gz JHBFITYYKBRIAO-SOUVJXGZSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000292261126 474928390 /nfs/dbraw/zinc/92/83/90/474928390.db2.gz YQDQPAMXNISOET-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000278941366 474930805 /nfs/dbraw/zinc/93/08/05/474930805.db2.gz XSOXLFIPNNIYAF-UHFFFAOYSA-N 1 0 339.392 2.608 20 5 EFBDRO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000273502384 474932228 /nfs/dbraw/zinc/93/22/28/474932228.db2.gz OMUSAGYKVAQLMP-INIZCTEOSA-N 1 0 343.431 2.738 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292267931 474932481 /nfs/dbraw/zinc/93/24/81/474932481.db2.gz LKGAFYCTCDBMQD-AWEZNQCLSA-N 1 0 340.221 2.889 20 5 EFBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000273504246 474934418 /nfs/dbraw/zinc/93/44/18/474934418.db2.gz PRGXNKNMUSPGCD-GOSISDBHSA-N 1 0 341.411 2.604 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000273513355 474938794 /nfs/dbraw/zinc/93/87/94/474938794.db2.gz PAVFPWOJPKXJRQ-QWRGUYRKSA-N 1 0 344.824 2.608 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000268360639 474940419 /nfs/dbraw/zinc/94/04/19/474940419.db2.gz GDRASQNOYZJUKS-UHFFFAOYSA-N 1 0 349.431 2.715 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000268361394 474941276 /nfs/dbraw/zinc/94/12/76/474941276.db2.gz KHEPCVXWLWNNRZ-CYBMUJFWSA-N 1 0 344.415 2.784 20 5 EFBDRO Cc1ccc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273526133 474944549 /nfs/dbraw/zinc/94/45/49/474944549.db2.gz UJUSAGSNICDIDO-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000345160412 474948391 /nfs/dbraw/zinc/94/83/91/474948391.db2.gz JDNHQBNYNAKGCU-NWDGAFQWSA-N 1 0 331.376 2.564 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000323379998 474949850 /nfs/dbraw/zinc/94/98/50/474949850.db2.gz HBOMSGKWUIYABA-SECBINFHSA-N 1 0 330.310 2.905 20 5 EFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000324572770 474970745 /nfs/dbraw/zinc/97/07/45/474970745.db2.gz XCLYQLWVEZGWSL-KRWDZBQOSA-N 1 0 330.384 2.687 20 5 EFBDRO CNc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000324635499 474973187 /nfs/dbraw/zinc/97/31/87/474973187.db2.gz VMKPMFHRXQWBSQ-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+](C)C ZINC000292351223 474976089 /nfs/dbraw/zinc/97/60/89/474976089.db2.gz KYJAFVTZXLOHHY-VIFPVBQESA-N 1 0 333.310 2.541 20 5 EFBDRO CCC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810945 474995010 /nfs/dbraw/zinc/99/50/10/474995010.db2.gz KDIYOUJVTFONGM-SQNIBIBYSA-N 1 0 333.432 2.889 20 5 EFBDRO CCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000326011529 474998021 /nfs/dbraw/zinc/99/80/21/474998021.db2.gz MAYHYYQYLNNQHA-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609310257 480142021 /nfs/dbraw/zinc/14/20/21/480142021.db2.gz YKRGSUJICHPUDJ-CYBMUJFWSA-N 1 0 342.399 2.823 20 5 EFBDRO [NH3+]C1(CNc2ncc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000261624090 474999938 /nfs/dbraw/zinc/99/99/38/474999938.db2.gz UYRJQWOMJVLWTA-UHFFFAOYSA-N 1 0 329.198 2.826 20 5 EFBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273685528 475011470 /nfs/dbraw/zinc/01/14/70/475011470.db2.gz ZUQXRUGSLXONGX-HNNXBMFYSA-N 1 0 343.387 2.642 20 5 EFBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273685529 475011490 /nfs/dbraw/zinc/01/14/90/475011490.db2.gz ZUQXRUGSLXONGX-OAHLLOKOSA-N 1 0 343.387 2.642 20 5 EFBDRO Cc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000261658019 475013224 /nfs/dbraw/zinc/01/32/24/475013224.db2.gz DYYLJHQRMOLRCL-UHFFFAOYSA-N 1 0 327.384 2.547 20 5 EFBDRO COc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000327025722 475015530 /nfs/dbraw/zinc/01/55/30/475015530.db2.gz HEZNTPJYRWWTMW-UHFFFAOYSA-N 1 0 344.371 2.582 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268500393 475015903 /nfs/dbraw/zinc/01/59/03/475015903.db2.gz RWMMIOTWKIFIKC-JTQLQIEISA-N 1 0 343.225 2.530 20 5 EFBDRO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1C ZINC000293527475 475022904 /nfs/dbraw/zinc/02/29/04/475022904.db2.gz WRMGIMZFBGPJLB-OKILXGFUSA-N 1 0 344.415 2.817 20 5 EFBDRO Cc1ccoc1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292437262 475028148 /nfs/dbraw/zinc/02/81/48/475028148.db2.gz WPXVGEFZSGYQKA-UHFFFAOYSA-N 1 0 329.356 2.517 20 5 EFBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293541897 475030412 /nfs/dbraw/zinc/03/04/12/475030412.db2.gz CWRWABAWJRRVLJ-OKILXGFUSA-N 1 0 343.431 2.520 20 5 EFBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000261790476 475064379 /nfs/dbraw/zinc/06/43/79/475064379.db2.gz QDUYEMKQWNQICM-AEFFLSMTSA-N 1 0 339.395 2.718 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261793501 475065015 /nfs/dbraw/zinc/06/50/15/475065015.db2.gz MDFHJJYXXSRNAZ-DYEKYZERSA-N 1 0 337.445 2.661 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000292522234 475068809 /nfs/dbraw/zinc/06/88/09/475068809.db2.gz WIUDIVCLEQFRET-CXAGYDPISA-N 1 0 328.368 2.911 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261829226 475076559 /nfs/dbraw/zinc/07/65/59/475076559.db2.gz OEHLZZKQSQAZQV-QWRGUYRKSA-N 1 0 346.412 2.528 20 5 EFBDRO CN(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000268928317 475077781 /nfs/dbraw/zinc/07/77/81/475077781.db2.gz QDZFZPWJBTYTPP-AWEZNQCLSA-N 1 0 345.365 3.000 20 5 EFBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292555524 475087641 /nfs/dbraw/zinc/08/76/41/475087641.db2.gz JGMARUJKHPBSSK-AWEZNQCLSA-N 1 0 337.395 2.591 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000339261426 475094590 /nfs/dbraw/zinc/09/45/90/475094590.db2.gz CWGTZFUGMDRFSU-UHFFFAOYSA-N 1 0 347.415 2.598 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273886007 475100485 /nfs/dbraw/zinc/10/04/85/475100485.db2.gz UHWBXPLRBOIFFN-MEDUHNTESA-N 1 0 349.406 2.610 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341533388 475120368 /nfs/dbraw/zinc/12/03/68/475120368.db2.gz PEJSMEDEYOSYEE-ZDUSSCGKSA-N 1 0 334.420 2.760 20 5 EFBDRO CC[C@H](C)[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287383045 475121879 /nfs/dbraw/zinc/12/18/79/475121879.db2.gz MZZYOYMHOVMUEH-ZDUSSCGKSA-N 1 0 333.388 2.885 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000337559856 475127696 /nfs/dbraw/zinc/12/76/96/475127696.db2.gz ZRTQFYAXXCNGJD-HNNXBMFYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000269018229 475129674 /nfs/dbraw/zinc/12/96/74/475129674.db2.gz OULNWGLMVYVVEJ-YOEHRIQHSA-N 1 0 345.443 2.815 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000269018222 475130388 /nfs/dbraw/zinc/13/03/88/475130388.db2.gz OULNWGLMVYVVEJ-PBHICJAKSA-N 1 0 345.443 2.815 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287415615 475137033 /nfs/dbraw/zinc/13/70/33/475137033.db2.gz DIDBMCMUECBHGY-JSGCOSHPSA-N 1 0 348.403 2.694 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000269030941 475137393 /nfs/dbraw/zinc/13/73/93/475137393.db2.gz SDMNKKSSEXPJNE-FZMZJTMJSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287415613 475138396 /nfs/dbraw/zinc/13/83/96/475138396.db2.gz DIDBMCMUECBHGY-GXTWGEPZSA-N 1 0 348.403 2.694 20 5 EFBDRO COc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000269044133 475145570 /nfs/dbraw/zinc/14/55/70/475145570.db2.gz NMIXOQCGERLEJF-ZIAGYGMSSA-N 1 0 337.420 2.905 20 5 EFBDRO CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271277 475145715 /nfs/dbraw/zinc/14/57/15/475145715.db2.gz NVJNSJBDQSDGPE-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO COc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000295970154 475148426 /nfs/dbraw/zinc/14/84/26/475148426.db2.gz SIMDMZFESSMFIA-CQSZACIVSA-N 1 0 344.371 2.560 20 5 EFBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000287452906 475153029 /nfs/dbraw/zinc/15/30/29/475153029.db2.gz QSXPZRWDIZDEGL-JTQLQIEISA-N 1 0 331.210 2.950 20 5 EFBDRO Cc1cc(N2CC3(C2)CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292692025 475154819 /nfs/dbraw/zinc/15/48/19/475154819.db2.gz ABCIWIYHLPBHLP-UHFFFAOYSA-N 1 0 326.356 2.587 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295986443 475155514 /nfs/dbraw/zinc/15/55/14/475155514.db2.gz LGLSSRXMNLXEFH-OAHLLOKOSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000296007969 475163144 /nfs/dbraw/zinc/16/31/44/475163144.db2.gz LJZLUOBBTBBUSA-ZDUSSCGKSA-N 1 0 349.431 2.528 20 5 EFBDRO COc1cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000296007966 475163264 /nfs/dbraw/zinc/16/32/64/475163264.db2.gz LJZLUOBBTBBUSA-CYBMUJFWSA-N 1 0 349.431 2.528 20 5 EFBDRO CCc1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296035791 475172819 /nfs/dbraw/zinc/17/28/19/475172819.db2.gz NPWRQTBZKIYGRZ-OCCSQVGLSA-N 1 0 329.404 2.776 20 5 EFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000339375901 475173207 /nfs/dbraw/zinc/17/32/07/475173207.db2.gz HULMYGXMCGSNRG-CYBMUJFWSA-N 1 0 343.358 2.822 20 5 EFBDRO CSCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000281332063 475174457 /nfs/dbraw/zinc/17/44/57/475174457.db2.gz JKPYWCFPILSYGV-UHFFFAOYSA-N 1 0 325.434 2.917 20 5 EFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339378167 475174654 /nfs/dbraw/zinc/17/46/54/475174654.db2.gz CNTJRMGJNONXRP-HZPDHXFCSA-N 1 0 339.823 2.543 20 5 EFBDRO CCOC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000296039953 475175575 /nfs/dbraw/zinc/17/55/75/475175575.db2.gz PTVBWRZKCWDZQP-AGUYFDCRSA-N 1 0 333.388 2.809 20 5 EFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287505939 475175859 /nfs/dbraw/zinc/17/58/59/475175859.db2.gz UFMOXEISEPNRQY-UHFFFAOYSA-N 1 0 331.372 2.517 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262118686 475176922 /nfs/dbraw/zinc/17/69/22/475176922.db2.gz VKNMPCWCVIDMFY-UHFFFAOYSA-N 1 0 346.412 2.700 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC2CC[NH+](C3CC3)CC2)s1 ZINC000287523246 475183737 /nfs/dbraw/zinc/18/37/37/475183737.db2.gz AUTWAHCYXCXJSU-UHFFFAOYSA-N 1 0 333.417 2.886 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262149981 475185674 /nfs/dbraw/zinc/18/56/74/475185674.db2.gz FXKPZEPNJOCIQF-WBVHZDCISA-N 1 0 339.395 2.718 20 5 EFBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000296093106 475193087 /nfs/dbraw/zinc/19/30/87/475193087.db2.gz UDWARRHDFDYASB-UHFFFAOYSA-N 1 0 348.403 2.595 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000339396439 475194795 /nfs/dbraw/zinc/19/47/95/475194795.db2.gz UHNYHIUIDOOUGQ-CYBMUJFWSA-N 1 0 342.359 2.876 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339399282 475195332 /nfs/dbraw/zinc/19/53/32/475195332.db2.gz ZIPXPHMCBOGYKR-GFCCVEGCSA-N 1 0 343.343 2.945 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292816865 475207015 /nfs/dbraw/zinc/20/70/15/475207015.db2.gz OOGWCXWEONNSEE-GOSISDBHSA-N 1 0 347.415 2.694 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000341653354 475207504 /nfs/dbraw/zinc/20/75/04/475207504.db2.gz AVFIFVCSFHBJMQ-UHFFFAOYSA-N 1 0 326.312 2.894 20 5 EFBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296162270 475212068 /nfs/dbraw/zinc/21/20/68/475212068.db2.gz SXGZWHJKKIEXNX-DZGCQCFKSA-N 1 0 348.447 2.646 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296163994 475213223 /nfs/dbraw/zinc/21/32/23/475213223.db2.gz SXGZWHJKKIEXNX-UKRRQHHQSA-N 1 0 348.447 2.646 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296186697 475218229 /nfs/dbraw/zinc/21/82/29/475218229.db2.gz UPZLJYJLVGKVGC-CQSZACIVSA-N 1 0 349.431 2.794 20 5 EFBDRO CS[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000296188436 475219794 /nfs/dbraw/zinc/21/97/94/475219794.db2.gz ISLQYYNUQKYEJU-JTQLQIEISA-N 1 0 329.809 2.624 20 5 EFBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000296209570 475224444 /nfs/dbraw/zinc/22/44/44/475224444.db2.gz VOARXDXQGIZWPP-CYBMUJFWSA-N 1 0 345.403 2.799 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609382425 480154485 /nfs/dbraw/zinc/15/44/85/480154485.db2.gz AWSBIALNBKPBQA-TZMCWYRMSA-N 1 0 349.456 2.676 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000341698257 475230178 /nfs/dbraw/zinc/23/01/78/475230178.db2.gz LXSPQLDGXCSAFI-OLZOCXBDSA-N 1 0 339.461 2.922 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361159169 475231695 /nfs/dbraw/zinc/23/16/95/475231695.db2.gz ISGMEYZDVBPDNU-LSDHHAIUSA-N 1 0 331.416 2.516 20 5 EFBDRO CNc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361161160 475233232 /nfs/dbraw/zinc/23/32/32/475233232.db2.gz GOVNMNXQYHVIPU-ACJLOTCBSA-N 1 0 348.447 2.877 20 5 EFBDRO CNc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361162315 475235711 /nfs/dbraw/zinc/23/57/11/475235711.db2.gz SCUPJBNNQUKNDV-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000347331687 475237469 /nfs/dbraw/zinc/23/74/69/475237469.db2.gz FWHOUEHHBJHIIL-RTGRKSDTSA-N 1 0 329.400 2.741 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000341707413 475238628 /nfs/dbraw/zinc/23/86/28/475238628.db2.gz VUYOTNXMCIFZGK-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345523533 475238885 /nfs/dbraw/zinc/23/88/85/475238885.db2.gz FJEVIUXIIOBLCI-CYBMUJFWSA-N 1 0 344.415 2.993 20 5 EFBDRO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000347332713 475239681 /nfs/dbraw/zinc/23/96/81/475239681.db2.gz HVPXGXGVTMAXQD-RHSMWYFYSA-N 1 0 344.371 2.879 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361171013 475242639 /nfs/dbraw/zinc/24/26/39/475242639.db2.gz LRKDVBNAHNCQFQ-JFIYKMOQSA-N 1 0 345.443 2.907 20 5 EFBDRO NC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CCCCC1 ZINC000337692255 475244434 /nfs/dbraw/zinc/24/44/34/475244434.db2.gz VOHOQVHRGKNAAD-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361174803 475244667 /nfs/dbraw/zinc/24/46/67/475244667.db2.gz GFAANQLUHJICEF-HNNXBMFYSA-N 1 0 333.432 2.890 20 5 EFBDRO CO[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000296268368 475245651 /nfs/dbraw/zinc/24/56/51/475245651.db2.gz YOWFPJWWUBQCPI-AWEZNQCLSA-N 1 0 346.387 2.892 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000361176614 475246475 /nfs/dbraw/zinc/24/64/75/475246475.db2.gz FLTSHPZOVYIXNT-IBGZPJMESA-N 1 0 342.395 2.738 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609386354 480155935 /nfs/dbraw/zinc/15/59/35/480155935.db2.gz QSWSORMMAASPRL-CABCVRRESA-N 1 0 348.447 2.693 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000262483132 475251664 /nfs/dbraw/zinc/25/16/64/475251664.db2.gz ZUDBMCISLSFQDU-DHSIGJKJSA-N 1 0 331.416 2.860 20 5 EFBDRO Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000347347788 475254085 /nfs/dbraw/zinc/25/40/85/475254085.db2.gz YNYDMBNISSCADZ-RHSMWYFYSA-N 1 0 344.371 2.879 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000609385799 480156247 /nfs/dbraw/zinc/15/62/47/480156247.db2.gz FBAGLBUKXWKJLG-AWEZNQCLSA-N 1 0 345.403 2.607 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347354037 475259367 /nfs/dbraw/zinc/25/93/67/475259367.db2.gz HZKWQGPTNQFGFK-OBHPCNEJSA-N 1 0 334.416 2.983 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341738106 475262257 /nfs/dbraw/zinc/26/22/57/475262257.db2.gz ZTYTVFUZLJASJY-MJBXVCDLSA-N 1 0 346.431 2.535 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000345554726 475262444 /nfs/dbraw/zinc/26/24/44/475262444.db2.gz ZYMCPKGNFDYGFQ-AWEZNQCLSA-N 1 0 346.431 2.786 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000296314860 475264838 /nfs/dbraw/zinc/26/48/38/475264838.db2.gz KEZQGCKRDTYKCT-VBNZEHGJSA-N 1 0 332.404 2.582 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000347363498 475266707 /nfs/dbraw/zinc/26/67/07/475266707.db2.gz QYEKXKCGTOTNQP-DTQAZKPQSA-N 1 0 345.443 2.795 20 5 EFBDRO CC[NH+]1CCN(CCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341744755 475267902 /nfs/dbraw/zinc/26/79/02/475267902.db2.gz OZGOULGVLLGKFZ-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361209306 475271121 /nfs/dbraw/zinc/27/11/21/475271121.db2.gz FBAXHBKLPNIVEL-AWEZNQCLSA-N 1 0 346.431 2.631 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361213225 475273860 /nfs/dbraw/zinc/27/38/60/475273860.db2.gz QEPJPUGYMNXEEY-NUEKZKHPSA-N 1 0 333.432 2.762 20 5 EFBDRO CCC[NH+]1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361213527 475274214 /nfs/dbraw/zinc/27/42/14/475274214.db2.gz ZELSNYYKPYLTCP-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336201 475274522 /nfs/dbraw/zinc/27/45/22/475274522.db2.gz RAVXUDSIBWDZNR-CXAGYDPISA-N 1 0 346.387 2.938 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000357950271 475286751 /nfs/dbraw/zinc/28/67/51/475286751.db2.gz BNCZWCQUYOSDSX-UONOGXRCSA-N 1 0 336.436 2.992 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296384263 475291545 /nfs/dbraw/zinc/29/15/45/475291545.db2.gz FXGLPMXIHFADSN-DUVNUKRYSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347399957 475297820 /nfs/dbraw/zinc/29/78/20/475297820.db2.gz MSZMKBGMUFPJPC-AWEZNQCLSA-N 1 0 343.431 2.884 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000357970646 475300751 /nfs/dbraw/zinc/30/07/51/475300751.db2.gz GGOCKZCQRKFNTF-AWEZNQCLSA-N 1 0 336.436 2.557 20 5 EFBDRO Cc1c(Br)c(NC[C@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000347405946 475301392 /nfs/dbraw/zinc/30/13/92/475301392.db2.gz ZTSRNHKMKDYQLK-LLVKDONJSA-N 1 0 343.225 2.813 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000361249213 475302660 /nfs/dbraw/zinc/30/26/60/475302660.db2.gz FPXNOJWAHSTWHW-CQSZACIVSA-N 1 0 343.358 2.937 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296422530 475308841 /nfs/dbraw/zinc/30/88/41/475308841.db2.gz JZCDCTKFRBMLIM-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339605941 475342934 /nfs/dbraw/zinc/34/29/34/475342934.db2.gz DGFGIWZSISJSMY-UHFFFAOYSA-N 1 0 332.360 2.606 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2Cn2cncn2)cs1 ZINC000337826169 475356158 /nfs/dbraw/zinc/35/61/58/475356158.db2.gz WDDKVZYCRJEAMB-UHFFFAOYSA-N 1 0 329.385 2.586 20 5 EFBDRO NC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CCCCC1 ZINC000337830937 475360526 /nfs/dbraw/zinc/36/05/26/475360526.db2.gz ZXZHHJSNWCDIRK-UHFFFAOYSA-N 1 0 349.431 2.731 20 5 EFBDRO C[NH+]1CCC(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000345693900 475370672 /nfs/dbraw/zinc/37/06/72/475370672.db2.gz YJPJMJUKQYZHSD-MRXNPFEDSA-N 1 0 335.429 2.511 20 5 EFBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337845443 475372376 /nfs/dbraw/zinc/37/23/76/475372376.db2.gz HBWNPHWQCCSBJJ-DOMZBBRYSA-N 1 0 337.420 2.963 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337848348 475374421 /nfs/dbraw/zinc/37/44/21/475374421.db2.gz ILCVTXSAYJSAAK-WZFZXHKMSA-N 1 0 329.400 2.741 20 5 EFBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000337862915 475387273 /nfs/dbraw/zinc/38/72/73/475387273.db2.gz OEFWZXOXVUZCQY-WFASDCNBSA-N 1 0 337.420 2.963 20 5 EFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331723144 475391255 /nfs/dbraw/zinc/39/12/55/475391255.db2.gz LNAUFVMPXMROKY-MRXNPFEDSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000339677569 475402452 /nfs/dbraw/zinc/40/24/52/475402452.db2.gz OGOGTQHWYZGTGC-LBPRGKRZSA-N 1 0 347.337 2.771 20 5 EFBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000339680205 475404197 /nfs/dbraw/zinc/40/41/97/475404197.db2.gz BJUAUUKFVXFZCW-LBPRGKRZSA-N 1 0 347.337 2.771 20 5 EFBDRO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCOC1 ZINC000348135910 475417897 /nfs/dbraw/zinc/41/78/97/475417897.db2.gz LWIPDZCOWMZJHK-YPMHNXCESA-N 1 0 332.360 2.550 20 5 EFBDRO CC(C)C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000345756244 475424162 /nfs/dbraw/zinc/42/41/62/475424162.db2.gz FJRPXBSCFUILER-INIZCTEOSA-N 1 0 346.431 2.642 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000331871474 475440254 /nfs/dbraw/zinc/44/02/54/475440254.db2.gz OQYTXABQVVSSIV-BMFZPTHFSA-N 1 0 346.431 2.624 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000345778189 475442377 /nfs/dbraw/zinc/44/23/77/475442377.db2.gz LEOMHAFAWVTKMK-RHSMWYFYSA-N 1 0 348.447 2.998 20 5 EFBDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296741199 475455631 /nfs/dbraw/zinc/45/56/31/475455631.db2.gz OWBBWSPRQBWCKM-AWEZNQCLSA-N 1 0 327.384 2.870 20 5 EFBDRO CCNc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000352610681 475458127 /nfs/dbraw/zinc/45/81/27/475458127.db2.gz VLUIJBAIEFOCIG-UHFFFAOYSA-N 1 0 348.447 2.878 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000341973392 475463946 /nfs/dbraw/zinc/46/39/46/475463946.db2.gz GGWSWMOGBWXYPN-GOSISDBHSA-N 1 0 325.412 2.954 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000296791776 475479482 /nfs/dbraw/zinc/47/94/82/475479482.db2.gz OFKHLBYHGIZMLG-ABAIWWIYSA-N 1 0 337.807 2.723 20 5 EFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000345828288 475487660 /nfs/dbraw/zinc/48/76/60/475487660.db2.gz IYIWRSIVVMEIRC-DZGCQCFKSA-N 1 0 343.383 2.859 20 5 EFBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000296823658 475491720 /nfs/dbraw/zinc/49/17/20/475491720.db2.gz VVJAUFFSOAJSPF-LLVKDONJSA-N 1 0 325.359 2.789 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000361503763 475503525 /nfs/dbraw/zinc/50/35/25/475503525.db2.gz PBLLJVRUSZDHAM-CZUORRHYSA-N 1 0 332.404 2.536 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000332081277 475503970 /nfs/dbraw/zinc/50/39/70/475503970.db2.gz LPTHBNFYLYQKHD-GDBMZVCRSA-N 1 0 331.416 2.910 20 5 EFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354914545 475515323 /nfs/dbraw/zinc/51/53/23/475515323.db2.gz DPCQUNFLUKXTJP-TZMCWYRMSA-N 1 0 336.388 2.767 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296894259 475523996 /nfs/dbraw/zinc/52/39/96/475523996.db2.gz XKAOHFCRTXPMBD-OAHLLOKOSA-N 1 0 338.795 2.808 20 5 EFBDRO Cn1nccc1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000338031595 475525817 /nfs/dbraw/zinc/52/58/17/475525817.db2.gz VLECBTNHQSXVHC-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000358274828 475551847 /nfs/dbraw/zinc/55/18/47/475551847.db2.gz LYQVKXQBZUJLEM-CYBMUJFWSA-N 1 0 336.392 2.599 20 5 EFBDRO Cc1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000296963282 475554592 /nfs/dbraw/zinc/55/45/92/475554592.db2.gz CRNDHACQDSDRCU-HNNXBMFYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361572074 475557697 /nfs/dbraw/zinc/55/76/97/475557697.db2.gz CGPJEUVTTUEZPU-GHMZBOCLSA-N 1 0 343.811 2.932 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@H]1CCCC2 ZINC000342158894 475565336 /nfs/dbraw/zinc/56/53/36/475565336.db2.gz RXMJTFYLODAGPJ-KDOFPFPSSA-N 1 0 348.399 2.769 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000338077848 475568605 /nfs/dbraw/zinc/56/86/05/475568605.db2.gz HWBWNRRYYNAPLK-GFCCVEGCSA-N 1 0 331.372 2.803 20 5 EFBDRO Cc1c(CNC(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358305107 475576188 /nfs/dbraw/zinc/57/61/88/475576188.db2.gz HLRNULYPAGZDNO-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332259838 475578871 /nfs/dbraw/zinc/57/88/71/475578871.db2.gz AXXUWPXEXAGPIZ-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO COCCCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000348317035 475587173 /nfs/dbraw/zinc/58/71/73/475587173.db2.gz GHZSORCCCBJPOQ-OAHLLOKOSA-N 1 0 332.404 2.976 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000332313770 475598575 /nfs/dbraw/zinc/59/85/75/475598575.db2.gz NJNUQFNTHZENPO-OLZOCXBDSA-N 1 0 337.395 2.780 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358338598 475602368 /nfs/dbraw/zinc/60/23/68/475602368.db2.gz MWWJHPVOUMYSGD-LBPRGKRZSA-N 1 0 337.420 2.762 20 5 EFBDRO COc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332404227 475627827 /nfs/dbraw/zinc/62/78/27/475627827.db2.gz WXCUGWQQDYUSJO-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO CCOC[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797338 475634393 /nfs/dbraw/zinc/63/43/93/475634393.db2.gz QBQFLCFKZNEPRU-QZTJIDSGSA-N 1 0 330.384 2.671 20 5 EFBDRO C[C@H](NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000332432532 475635160 /nfs/dbraw/zinc/63/51/60/475635160.db2.gz HTFSYLUKYQQNQQ-QLFBSQMISA-N 1 0 346.431 2.924 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352802337 475637765 /nfs/dbraw/zinc/63/77/65/475637765.db2.gz VOUMHFZAPUEBQD-OCCSQVGLSA-N 1 0 329.404 2.530 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000361659687 475638708 /nfs/dbraw/zinc/63/87/08/475638708.db2.gz IQAVMGBAYMGFEF-STQMWFEESA-N 1 0 346.383 2.924 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442653 475639321 /nfs/dbraw/zinc/63/93/21/475639321.db2.gz CLKALFSKHBJBLG-KBPBESRZSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000332490481 475650744 /nfs/dbraw/zinc/65/07/44/475650744.db2.gz ONZGLPCBJWADQC-HIFRSBDPSA-N 1 0 349.456 2.772 20 5 EFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1c1ccc(F)cc1 ZINC000297230036 475668809 /nfs/dbraw/zinc/66/88/09/475668809.db2.gz OUXDGPUJOIATIQ-CHWSQXEVSA-N 1 0 349.387 2.752 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000332585967 475677263 /nfs/dbraw/zinc/67/72/63/475677263.db2.gz IMLIVNFOSLZISA-AAEUAGOBSA-N 1 0 336.367 2.824 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332592756 475679202 /nfs/dbraw/zinc/67/92/02/475679202.db2.gz NWOSJGTVEYSTCA-CABCVRRESA-N 1 0 331.416 2.910 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000332596732 475680033 /nfs/dbraw/zinc/68/00/33/475680033.db2.gz MCABOYQHCNQTKP-RHSMWYFYSA-N 1 0 345.443 2.958 20 5 EFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332592760 475680451 /nfs/dbraw/zinc/68/04/51/475680451.db2.gz NWOSJGTVEYSTCA-HUUCEWRRSA-N 1 0 331.416 2.910 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000297273859 475685920 /nfs/dbraw/zinc/68/59/20/475685920.db2.gz WXLBUZXMVXNRAH-CYBMUJFWSA-N 1 0 344.415 2.930 20 5 EFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000348477011 475689229 /nfs/dbraw/zinc/68/92/29/475689229.db2.gz HSVYSCNTOXMMBT-MRXNPFEDSA-N 1 0 337.420 2.883 20 5 EFBDRO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000338226386 475690377 /nfs/dbraw/zinc/69/03/77/475690377.db2.gz UXIOBGCKAIHFHH-BMFZPTHFSA-N 1 0 331.416 2.516 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000361730817 475703840 /nfs/dbraw/zinc/70/38/40/475703840.db2.gz CKZPZRNIKRQYFV-UHFFFAOYSA-N 1 0 344.367 2.745 20 5 EFBDRO Cc1nnc([C@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000355172495 475716409 /nfs/dbraw/zinc/71/64/09/475716409.db2.gz OLGRDYSRTOUTBY-QZDDGCDVSA-N 1 0 327.388 2.914 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)n1 ZINC000348521119 475718867 /nfs/dbraw/zinc/71/88/67/475718867.db2.gz NJAPYPIXHOXORQ-CVEARBPZSA-N 1 0 330.388 2.519 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348519497 475719360 /nfs/dbraw/zinc/71/93/60/475719360.db2.gz DBGNPFAOJNQFMB-JQWIXIFHSA-N 1 0 343.330 2.592 20 5 EFBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000346657569 475739567 /nfs/dbraw/zinc/73/95/67/475739567.db2.gz OGYHSVMHPVANIP-UHFFFAOYSA-N 1 0 327.388 2.738 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000353190913 475757773 /nfs/dbraw/zinc/75/77/73/475757773.db2.gz ITOPBXBNAUEKRH-CYBMUJFWSA-N 1 0 336.388 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(F)c1 ZINC000353191905 475759470 /nfs/dbraw/zinc/75/94/70/475759470.db2.gz LAFOVIZMUDXOIF-WMZOPIPTSA-N 1 0 330.359 2.990 20 5 EFBDRO Cn1cc(C[NH2+]CCOC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353193990 475761275 /nfs/dbraw/zinc/76/12/75/475761275.db2.gz PYSCAWKYIOIFSE-UHFFFAOYSA-N 1 0 344.293 2.621 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1COC[C@@H]1O ZINC000348631473 475785564 /nfs/dbraw/zinc/78/55/64/475785564.db2.gz DJXRXRIRYSZKRJ-GJZGRUSLSA-N 1 0 334.397 2.515 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340134735 475787050 /nfs/dbraw/zinc/78/70/50/475787050.db2.gz VVIAOQFHCZFJKA-UHFFFAOYSA-N 1 0 348.428 2.966 20 5 EFBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccnc1 ZINC000361828659 475789891 /nfs/dbraw/zinc/78/98/91/475789891.db2.gz GHRMURKCRSDSPO-UHFFFAOYSA-N 1 0 340.383 2.983 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000355281251 475796476 /nfs/dbraw/zinc/79/64/76/475796476.db2.gz GRXXYUYYZOTEFB-HNNXBMFYSA-N 1 0 349.431 2.988 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1COC[C@H]1O ZINC000348648715 475799768 /nfs/dbraw/zinc/79/97/68/475799768.db2.gz RNFCUUAGTPHFNL-LSDHHAIUSA-N 1 0 334.397 2.515 20 5 EFBDRO Cc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000361841275 475800988 /nfs/dbraw/zinc/80/09/88/475800988.db2.gz CLOYIWSDZSTMSC-SFHVURJKSA-N 1 0 342.395 2.701 20 5 EFBDRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297567454 475809696 /nfs/dbraw/zinc/80/96/96/475809696.db2.gz WNHNSAIJGBZNEF-LBPRGKRZSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338352111 475816422 /nfs/dbraw/zinc/81/64/22/475816422.db2.gz UJYAQWPOAWWCEX-CQSZACIVSA-N 1 0 333.432 2.907 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000361860507 475817364 /nfs/dbraw/zinc/81/73/64/475817364.db2.gz MVARVWIOIDTFSL-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338352108 475817682 /nfs/dbraw/zinc/81/76/82/475817682.db2.gz UJYAQWPOAWWCEX-AWEZNQCLSA-N 1 0 333.432 2.907 20 5 EFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338365812 475829772 /nfs/dbraw/zinc/82/97/72/475829772.db2.gz GVTVRPNCRBFDIL-LLVKDONJSA-N 1 0 332.335 2.808 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000340181447 475833556 /nfs/dbraw/zinc/83/35/56/475833556.db2.gz RDRCTTIQXDTRNQ-ZDUSSCGKSA-N 1 0 327.384 2.929 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346763892 475837820 /nfs/dbraw/zinc/83/78/20/475837820.db2.gz FNJWSHRASCPCPN-KGLIPLIRSA-N 1 0 333.432 2.814 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000346768215 475840874 /nfs/dbraw/zinc/84/08/74/475840874.db2.gz JQEJWGAHICUBLG-STQMWFEESA-N 1 0 342.399 2.698 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000346768208 475841181 /nfs/dbraw/zinc/84/11/81/475841181.db2.gz JQEJWGAHICUBLG-CHWSQXEVSA-N 1 0 342.399 2.698 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000355341440 475844192 /nfs/dbraw/zinc/84/41/92/475844192.db2.gz JRPJECJLTAESSV-RDBSUJKOSA-N 1 0 335.404 2.635 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000346770694 475844836 /nfs/dbraw/zinc/84/48/36/475844836.db2.gz OZHWYNJKUZWGLQ-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1O ZINC000361903258 475854423 /nfs/dbraw/zinc/85/44/23/475854423.db2.gz DXJCRFBEJQOISU-JKSUJKDBSA-N 1 0 338.404 2.991 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000346809796 475877544 /nfs/dbraw/zinc/87/75/44/475877544.db2.gz FVWOXJLWPWBVBK-JSGCOSHPSA-N 1 0 326.418 2.521 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000338420163 475886171 /nfs/dbraw/zinc/88/61/71/475886171.db2.gz LBBIKJCKJYTJDF-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000297786740 475886639 /nfs/dbraw/zinc/88/66/39/475886639.db2.gz XFVRBORJOZRQMY-QIXHYMPYSA-N 1 0 346.431 2.922 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000358742010 475899325 /nfs/dbraw/zinc/89/93/25/475899325.db2.gz YOVCBVWFMOTMIU-GFCCVEGCSA-N 1 0 325.434 2.915 20 5 EFBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000340266590 475900446 /nfs/dbraw/zinc/90/04/46/475900446.db2.gz FEJSPPHWCZIMLV-HUUCEWRRSA-N 1 0 349.431 2.743 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000353362326 475902050 /nfs/dbraw/zinc/90/20/50/475902050.db2.gz YOILQXBRIPZFIG-UHFFFAOYSA-N 1 0 340.383 2.943 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343265727 475905068 /nfs/dbraw/zinc/90/50/68/475905068.db2.gz GTXODYKDPDUIMD-YDHLFZDLSA-N 1 0 349.456 2.818 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C[NH3+])C1 ZINC000346855786 475916259 /nfs/dbraw/zinc/91/62/59/475916259.db2.gz VRTDCCONMPVWDE-JKSUJKDBSA-N 1 0 345.399 2.793 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000340298259 475927075 /nfs/dbraw/zinc/92/70/75/475927075.db2.gz JDAOOJZCHDBDKQ-GOEBONIOSA-N 1 0 348.447 2.652 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000340298260 475928040 /nfs/dbraw/zinc/92/80/40/475928040.db2.gz JDAOOJZCHDBDKQ-HOCLYGCPSA-N 1 0 348.447 2.652 20 5 EFBDRO C[NH+](C)CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340297423 475928070 /nfs/dbraw/zinc/92/80/70/475928070.db2.gz YFLWTJXIGKEYLC-UHFFFAOYSA-N 1 0 333.432 2.673 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000338461198 475928407 /nfs/dbraw/zinc/92/84/07/475928407.db2.gz HHQPWYOBUUPGOR-MRXNPFEDSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[N@H+](C)CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353443943 475972431 /nfs/dbraw/zinc/97/24/31/475972431.db2.gz FBOMHTNKTOLNNL-KRWDZBQOSA-N 1 0 345.447 2.738 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000338534599 475989396 /nfs/dbraw/zinc/98/93/96/475989396.db2.gz CWQDTUOMEQKESC-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000343371604 475996443 /nfs/dbraw/zinc/99/64/43/475996443.db2.gz VTDHTJRVJPAFMI-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340384637 476000528 /nfs/dbraw/zinc/00/05/28/476000528.db2.gz AYTKMWVGKNCMJW-CQSZACIVSA-N 1 0 333.432 2.673 20 5 EFBDRO CCOc1cc(N2CC[NH+](CCSCC)CC2)ccc1[N+](=O)[O-] ZINC000355523443 476005759 /nfs/dbraw/zinc/00/57/59/476005759.db2.gz DFRVQMLPKOJPFS-UHFFFAOYSA-N 1 0 339.461 2.869 20 5 EFBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000343387744 476010589 /nfs/dbraw/zinc/01/05/89/476010589.db2.gz OORJNXGOKBKKBW-OAHLLOKOSA-N 1 0 338.404 2.777 20 5 EFBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000343387741 476011603 /nfs/dbraw/zinc/01/16/03/476011603.db2.gz OORJNXGOKBKKBW-HNNXBMFYSA-N 1 0 338.404 2.777 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[C@H](C)C1 ZINC000362152627 476035085 /nfs/dbraw/zinc/03/50/85/476035085.db2.gz WEQKHGLUJULTSO-DZGCQCFKSA-N 1 0 349.431 2.979 20 5 EFBDRO CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000343406319 476035784 /nfs/dbraw/zinc/03/57/84/476035784.db2.gz UVIZLXMZRXUXPZ-DOTOQJQBSA-N 1 0 330.388 2.992 20 5 EFBDRO CCCC[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353515295 476037246 /nfs/dbraw/zinc/03/72/46/476037246.db2.gz DNEMYIZAVJKSLA-QGZVFWFLSA-N 1 0 345.447 2.739 20 5 EFBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000340467510 476052228 /nfs/dbraw/zinc/05/22/28/476052228.db2.gz PUKLJLCJBCMIQG-HNNXBMFYSA-N 1 0 330.388 2.518 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042701 476057067 /nfs/dbraw/zinc/05/70/67/476057067.db2.gz LQJPTLHLOTYMTD-QWRGUYRKSA-N 1 0 329.347 2.755 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347042700 476057149 /nfs/dbraw/zinc/05/71/49/476057149.db2.gz LQJPTLHLOTYMTD-MNOVXSKESA-N 1 0 329.347 2.755 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000298339705 476061004 /nfs/dbraw/zinc/06/10/04/476061004.db2.gz IDDJHUUZLJKKLW-UHFFFAOYSA-N 1 0 325.796 2.854 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000333974871 476076209 /nfs/dbraw/zinc/07/62/09/476076209.db2.gz WPPSUFINPDHDLA-GJZGRUSLSA-N 1 0 348.447 2.995 20 5 EFBDRO C[N@H+](Cc1ccccc1)C1CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000343636742 476095826 /nfs/dbraw/zinc/09/58/26/476095826.db2.gz URMWZSDNMBHEEB-UHFFFAOYSA-N 1 0 343.412 2.625 20 5 EFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298475972 476105779 /nfs/dbraw/zinc/10/57/79/476105779.db2.gz IVOITGTYRWIGBN-SFHVURJKSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000338679070 476106538 /nfs/dbraw/zinc/10/65/38/476106538.db2.gz VKOOHHCMQAUCKY-KBPBESRZSA-N 1 0 337.420 2.905 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000338679072 476107377 /nfs/dbraw/zinc/10/73/77/476107377.db2.gz VKOOHHCMQAUCKY-ZIAGYGMSSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298484714 476111101 /nfs/dbraw/zinc/11/11/01/476111101.db2.gz HURAPDCSYYNKRE-GFCCVEGCSA-N 1 0 325.434 2.898 20 5 EFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356597601 476113620 /nfs/dbraw/zinc/11/36/20/476113620.db2.gz NBWXGPZPIVOZOP-LBPRGKRZSA-N 1 0 332.404 2.926 20 5 EFBDRO O=C1NCCc2ccc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])cc21 ZINC000350269808 476115081 /nfs/dbraw/zinc/11/50/81/476115081.db2.gz SAOWQXWWIMWEJU-HWKANZROSA-N 1 0 337.379 2.684 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000350287975 476122059 /nfs/dbraw/zinc/12/20/59/476122059.db2.gz NCXLMRLMZYDNQU-CYBMUJFWSA-N 1 0 336.338 2.814 20 5 EFBDRO CCC[C@H]1C[NH2+]CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000359045032 476141280 /nfs/dbraw/zinc/14/12/80/476141280.db2.gz PDJHAJLFCFDHFF-INIZCTEOSA-N 1 0 344.415 2.866 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000359058348 476152661 /nfs/dbraw/zinc/15/26/61/476152661.db2.gz CXGGINVHHNBKNQ-CYBMUJFWSA-N 1 0 349.456 2.820 20 5 EFBDRO Cc1ccc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353646083 476153611 /nfs/dbraw/zinc/15/36/11/476153611.db2.gz BSAFVMARJYASPQ-INIZCTEOSA-N 1 0 341.415 2.812 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncccc1[N+](=O)[O-] ZINC000347181774 476153959 /nfs/dbraw/zinc/15/39/59/476153959.db2.gz BWMXGSGIYAOEMT-UHFFFAOYSA-N 1 0 336.342 2.836 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)C ZINC000338766038 476169211 /nfs/dbraw/zinc/16/92/11/476169211.db2.gz HEVLBHUZXZESAB-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cncn3)s2)cc1 ZINC000336888150 476179453 /nfs/dbraw/zinc/17/94/53/476179453.db2.gz HLWXIBCVMNSYAF-UHFFFAOYSA-N 1 0 329.385 2.705 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C ZINC000357052103 476191387 /nfs/dbraw/zinc/19/13/87/476191387.db2.gz LKIWPKSUJSLFLC-UHFFFAOYSA-N 1 0 340.399 2.507 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000344260983 476194958 /nfs/dbraw/zinc/19/49/58/476194958.db2.gz WMVJUBLGVMBJQN-CQSZACIVSA-N 1 0 337.376 2.828 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000302631309 476198732 /nfs/dbraw/zinc/19/87/32/476198732.db2.gz GJJVBFMKHRDFTA-KYJSFNMBSA-N 1 0 334.416 2.989 20 5 EFBDRO CC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000350487321 476208614 /nfs/dbraw/zinc/20/86/14/476208614.db2.gz ZHACHXBDSIKAGV-HOTGVXAUSA-N 1 0 349.431 2.695 20 5 EFBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000340704689 476219727 /nfs/dbraw/zinc/21/97/27/476219727.db2.gz GVNZHSSGQFRVSR-KRWDZBQOSA-N 1 0 339.395 2.989 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000357097202 476229226 /nfs/dbraw/zinc/22/92/26/476229226.db2.gz FEWPCVMEGBNXID-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347285124 476230538 /nfs/dbraw/zinc/23/05/38/476230538.db2.gz GMQWLFWHBZASPG-MLGOLLRUSA-N 1 0 329.404 2.530 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347288316 476232467 /nfs/dbraw/zinc/23/24/67/476232467.db2.gz QSTALGXTINAARE-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000357104636 476234966 /nfs/dbraw/zinc/23/49/66/476234966.db2.gz WDGMNJXHFYZZHN-UHFFFAOYSA-N 1 0 337.420 2.797 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295676 476238565 /nfs/dbraw/zinc/23/85/65/476238565.db2.gz YSYFCZQBIYQJHE-NWDGAFQWSA-N 1 0 338.383 2.976 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347296233 476239410 /nfs/dbraw/zinc/23/94/10/476239410.db2.gz YWMUSNRCVLSULS-UHFFFAOYSA-N 1 0 326.372 2.785 20 5 EFBDRO CS[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000340733978 476240547 /nfs/dbraw/zinc/24/05/47/476240547.db2.gz BUGCZPRRWBVHBC-LSDHHAIUSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1cc(N2CCc3nc[nH]c(=O)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340769753 476261338 /nfs/dbraw/zinc/26/13/38/476261338.db2.gz CXDKXHZQOLFGKG-UHFFFAOYSA-N 1 0 337.339 2.510 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000362467418 476269939 /nfs/dbraw/zinc/26/99/39/476269939.db2.gz GHMXXPQERAPYDW-KRWDZBQOSA-N 1 0 341.411 2.711 20 5 EFBDRO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360047760 476286657 /nfs/dbraw/zinc/28/66/57/476286657.db2.gz NMDWHWYLZSSRIE-NSHDSACASA-N 1 0 347.337 2.689 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000362529643 476298213 /nfs/dbraw/zinc/29/82/13/476298213.db2.gz HPPWOHPBTCRXHF-OAHLLOKOSA-N 1 0 342.399 2.517 20 5 EFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(C)C ZINC000357242306 476302276 /nfs/dbraw/zinc/30/22/76/476302276.db2.gz VECMGNQLIASVNK-UHFFFAOYSA-N 1 0 348.447 2.973 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360583621 476309718 /nfs/dbraw/zinc/30/97/18/476309718.db2.gz OZUNULRQPKCXLE-KBAYOESNSA-N 1 0 345.443 2.907 20 5 EFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc21 ZINC000362612738 476328188 /nfs/dbraw/zinc/32/81/88/476328188.db2.gz YYKKFOSVXNFSSO-UHFFFAOYSA-N 1 0 341.371 2.692 20 5 EFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360666983 476334755 /nfs/dbraw/zinc/33/47/55/476334755.db2.gz STNLOWWZUHQQJG-UHFFFAOYSA-N 1 0 330.388 2.567 20 5 EFBDRO Cc1cc(-c2noc(CN(C)[C@H]3CCSC3)n2)cc([N+](=O)[O-])c1 ZINC000351143749 476346659 /nfs/dbraw/zinc/34/66/59/476346659.db2.gz GOXOKNHBBANDQQ-LBPRGKRZSA-N 1 0 334.401 2.891 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000360800572 476396156 /nfs/dbraw/zinc/39/61/56/476396156.db2.gz OFJKIOZRJCQXGS-FRFSOERESA-N 1 0 333.432 2.762 20 5 EFBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000377455452 476404087 /nfs/dbraw/zinc/40/40/87/476404087.db2.gz LOZFJPDYJHUWQD-MRXNPFEDSA-N 1 0 343.431 2.961 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360836429 476417580 /nfs/dbraw/zinc/41/75/80/476417580.db2.gz SERCGIJPINLGCU-SZMVWBNQSA-N 1 0 348.443 2.683 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@H]1C ZINC000362829790 476430387 /nfs/dbraw/zinc/43/03/87/476430387.db2.gz YHSMGZWPQYGYPK-NEPJUHHUSA-N 1 0 337.445 2.871 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000360891093 476458581 /nfs/dbraw/zinc/45/85/81/476458581.db2.gz FYGCFXKIIAPQLK-UHFFFAOYSA-N 1 0 343.431 2.980 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000362919084 476481228 /nfs/dbraw/zinc/48/12/28/476481228.db2.gz RGOWMNJUKLOTNM-STQMWFEESA-N 1 0 348.447 2.663 20 5 EFBDRO O=C1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]2CCCCN12 ZINC000374503527 476485360 /nfs/dbraw/zinc/48/53/60/476485360.db2.gz JFBRVVUUWURIOC-SOLBZPMBSA-N 1 0 343.427 2.659 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000362927181 476485554 /nfs/dbraw/zinc/48/55/54/476485554.db2.gz GVNHLQYPLBSSDC-ZWNOBZJWSA-N 1 0 335.429 2.529 20 5 EFBDRO O=C1CCCN1C[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000360938834 476490087 /nfs/dbraw/zinc/49/00/87/476490087.db2.gz DGFRMYZPYRAHOD-OAHLLOKOSA-N 1 0 335.379 2.711 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000360944812 476491789 /nfs/dbraw/zinc/49/17/89/476491789.db2.gz PCMNZAKZDNOYCW-JCKWVBRZSA-N 1 0 345.443 2.762 20 5 EFBDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354194734 476492691 /nfs/dbraw/zinc/49/26/91/476492691.db2.gz QOVXFZUTIQSUOC-UHFFFAOYSA-N 1 0 346.387 2.558 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000360944822 476494107 /nfs/dbraw/zinc/49/41/07/476494107.db2.gz PENLEPBXHMMYCX-NUJGCVRESA-N 1 0 345.443 2.716 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362946915 476495945 /nfs/dbraw/zinc/49/59/45/476495945.db2.gz DKKMQGLOFUDXJI-STQMWFEESA-N 1 0 337.807 2.534 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363010481 476527191 /nfs/dbraw/zinc/52/71/91/476527191.db2.gz NDGGSQPIJYJRQK-CQSZACIVSA-N 1 0 332.404 2.995 20 5 EFBDRO Cc1c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363010480 476527483 /nfs/dbraw/zinc/52/74/83/476527483.db2.gz NDGGSQPIJYJRQK-AWEZNQCLSA-N 1 0 332.404 2.995 20 5 EFBDRO CCc1nn(C)c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000361044972 476564224 /nfs/dbraw/zinc/56/42/24/476564224.db2.gz KARVJZKHFUKLTO-OLZOCXBDSA-N 1 0 335.452 2.956 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+]1CCCCC1 ZINC000354303624 476572217 /nfs/dbraw/zinc/57/22/17/476572217.db2.gz OCVVEHIPUNJLBJ-UHFFFAOYSA-N 1 0 339.367 2.808 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000374890876 476575949 /nfs/dbraw/zinc/57/59/49/476575949.db2.gz FEGRVNXYIQLKNI-IAGOWNOFSA-N 1 0 343.358 2.609 20 5 EFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361066823 476578973 /nfs/dbraw/zinc/57/89/73/476578973.db2.gz PVAHRXKBRAIUJV-UKRRQHHQSA-N 1 0 341.415 2.677 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377816377 476594556 /nfs/dbraw/zinc/59/45/56/476594556.db2.gz GHIUYZCTWAIHNX-LBPRGKRZSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000361100198 476601268 /nfs/dbraw/zinc/60/12/68/476601268.db2.gz XYMQOHYMXHPLJV-JSGCOSHPSA-N 1 0 334.420 2.628 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000354372106 476618581 /nfs/dbraw/zinc/61/85/81/476618581.db2.gz LJTYBDCUOSGXHF-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363248979 476624563 /nfs/dbraw/zinc/62/45/63/476624563.db2.gz PZLTWTLDZNJQIB-GFCCVEGCSA-N 1 0 338.795 2.950 20 5 EFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361137027 476628570 /nfs/dbraw/zinc/62/85/70/476628570.db2.gz UDDBUCUVYKPWGI-LBPRGKRZSA-N 1 0 328.372 2.842 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354396718 476635856 /nfs/dbraw/zinc/63/58/56/476635856.db2.gz JQZBSIXFWVOSNI-CABCVRRESA-N 1 0 349.431 2.695 20 5 EFBDRO COc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354396533 476635906 /nfs/dbraw/zinc/63/59/06/476635906.db2.gz WPKYEGYJPSUKSS-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000357835776 476638331 /nfs/dbraw/zinc/63/83/31/476638331.db2.gz UNRGWKLOAPYENM-CQSZACIVSA-N 1 0 336.436 2.557 20 5 EFBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370045477 476647212 /nfs/dbraw/zinc/64/72/12/476647212.db2.gz LXTYYJWGOJDUKU-CQSZACIVSA-N 1 0 330.388 2.544 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363321232 476650830 /nfs/dbraw/zinc/65/08/30/476650830.db2.gz ONUIDPZGCQNDHZ-GDBMZVCRSA-N 1 0 346.431 2.756 20 5 EFBDRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352358667 476660006 /nfs/dbraw/zinc/66/00/06/476660006.db2.gz WGMHXUAKJSVMJS-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)COc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000357875670 476664364 /nfs/dbraw/zinc/66/43/64/476664364.db2.gz BIGXBRZBMPWGMM-KBXCAEBGSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)[NH+]1C ZINC000354460609 476674285 /nfs/dbraw/zinc/67/42/85/476674285.db2.gz ZTUHJMIUGWLGPM-GHMZBOCLSA-N 1 0 329.347 2.721 20 5 EFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000375104721 476677785 /nfs/dbraw/zinc/67/77/85/476677785.db2.gz HRDAUHVCZNMHJP-HNNXBMFYSA-N 1 0 349.431 2.980 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000354498683 476687565 /nfs/dbraw/zinc/68/75/65/476687565.db2.gz OEVMBBPAEUXSMT-AJNOYIKESA-N 1 0 346.427 2.765 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000421754213 476693794 /nfs/dbraw/zinc/69/37/94/476693794.db2.gz AXXSUSHFNFNBJP-HNNXBMFYSA-N 1 0 331.416 2.912 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413707260 476699927 /nfs/dbraw/zinc/69/99/27/476699927.db2.gz BGXZJAQYKCHJKS-BHYGNILZSA-N 1 0 331.416 2.687 20 5 EFBDRO COc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000429922794 476716578 /nfs/dbraw/zinc/71/65/78/476716578.db2.gz WQVNWGUUUFQORT-UONOGXRCSA-N 1 0 335.404 2.517 20 5 EFBDRO COc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000429922795 476717382 /nfs/dbraw/zinc/71/73/82/476717382.db2.gz WQVNWGUUUFQORT-ZIAGYGMSSA-N 1 0 335.404 2.517 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000422628951 476722707 /nfs/dbraw/zinc/72/27/07/476722707.db2.gz CVMKQVUTVDTOHY-CABCVRRESA-N 1 0 331.416 2.673 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000422628953 476723404 /nfs/dbraw/zinc/72/34/04/476723404.db2.gz CVMKQVUTVDTOHY-HUUCEWRRSA-N 1 0 331.416 2.673 20 5 EFBDRO O=[N+]([O-])c1ccn(CCN2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000365843965 476727874 /nfs/dbraw/zinc/72/78/74/476727874.db2.gz RVSXBNYNEWRJKI-UHFFFAOYSA-N 1 0 345.790 2.984 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000380978461 476736157 /nfs/dbraw/zinc/73/61/57/476736157.db2.gz YXURUMHLAKACAC-GHMZBOCLSA-N 1 0 340.221 2.711 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422710815 476739672 /nfs/dbraw/zinc/73/96/72/476739672.db2.gz GDJALHZTVROAEM-GUYCJALGSA-N 1 0 329.400 2.652 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382459611 476743239 /nfs/dbraw/zinc/74/32/39/476743239.db2.gz UEPMFLWSKKYFQF-IUCAKERBSA-N 1 0 329.198 2.743 20 5 EFBDRO CN(C(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451959506 476745766 /nfs/dbraw/zinc/74/57/66/476745766.db2.gz AZVUKLWTBBXLSP-QGZVFWFLSA-N 1 0 349.456 2.777 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422735198 476752574 /nfs/dbraw/zinc/75/25/74/476752574.db2.gz VTESOQOLYMBKOX-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC(C)(C)Oc1cc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000445669529 476759705 /nfs/dbraw/zinc/75/97/05/476759705.db2.gz DCGYBFOLSIAGCH-UHFFFAOYSA-N 1 0 337.420 2.906 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452018330 476777518 /nfs/dbraw/zinc/77/75/18/476777518.db2.gz QNSFRAUVCYLJQU-ZIAGYGMSSA-N 1 0 341.795 2.734 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199035 476779216 /nfs/dbraw/zinc/77/92/16/476779216.db2.gz AVTYLFINGRKMKL-PBHICJAKSA-N 1 0 336.388 2.815 20 5 EFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000370406875 476794617 /nfs/dbraw/zinc/79/46/17/476794617.db2.gz QILOUMKBRQQNBH-KRWDZBQOSA-N 1 0 330.388 2.853 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445932049 476796710 /nfs/dbraw/zinc/79/67/10/476796710.db2.gz JJFADPNYWJITPF-QGZVFWFLSA-N 1 0 345.443 2.718 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452112703 476831708 /nfs/dbraw/zinc/83/17/08/476831708.db2.gz GURLNSHITYODSJ-MRXNPFEDSA-N 1 0 348.447 2.646 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452118655 476837882 /nfs/dbraw/zinc/83/78/82/476837882.db2.gz PCQZUWNUISTADC-OAHLLOKOSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000430477454 476839479 /nfs/dbraw/zinc/83/94/79/476839479.db2.gz RESAQYFTLARGKD-UHFFFAOYSA-N 1 0 343.387 2.619 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](CCCO)C3)co2)cc1 ZINC000452128652 476848438 /nfs/dbraw/zinc/84/84/38/476848438.db2.gz YEWUOCFVKINOAN-CYBMUJFWSA-N 1 0 331.372 2.844 20 5 EFBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1C ZINC000457060454 476851538 /nfs/dbraw/zinc/85/15/38/476851538.db2.gz SOPRCWQPMXZXBJ-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000452169201 476864915 /nfs/dbraw/zinc/86/49/15/476864915.db2.gz FIRCZXYYXGSKLI-AWEZNQCLSA-N 1 0 345.443 2.815 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457083669 476865821 /nfs/dbraw/zinc/86/58/21/476865821.db2.gz GBOBPRQXFGCDJE-GFCCVEGCSA-N 1 0 337.445 2.871 20 5 EFBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000452171698 476867340 /nfs/dbraw/zinc/86/73/40/476867340.db2.gz LFRPRRCJNSIIDO-AWEZNQCLSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947072 476895199 /nfs/dbraw/zinc/89/51/99/476895199.db2.gz KJJWGODSZODPPM-WCQYABFASA-N 1 0 332.429 2.948 20 5 EFBDRO CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000414948998 476897773 /nfs/dbraw/zinc/89/77/73/476897773.db2.gz ZGJAWGJZSIHBIQ-UHFFFAOYSA-N 1 0 332.429 2.950 20 5 EFBDRO COc1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000414958653 476901416 /nfs/dbraw/zinc/90/14/16/476901416.db2.gz RKCCUMKUGKRCBM-INIZCTEOSA-N 1 0 327.384 2.580 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414956251 476901573 /nfs/dbraw/zinc/90/15/73/476901573.db2.gz VCGYQCXJCWCWLZ-UHFFFAOYSA-N 1 0 346.334 2.835 20 5 EFBDRO COc1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000414958654 476902022 /nfs/dbraw/zinc/90/20/22/476902022.db2.gz RKCCUMKUGKRCBM-MRXNPFEDSA-N 1 0 327.384 2.580 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)C1CC1 ZINC000370661430 476921778 /nfs/dbraw/zinc/92/17/78/476921778.db2.gz FXYVEGXEXZIOST-CVEARBPZSA-N 1 0 326.400 2.786 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000452342383 476922865 /nfs/dbraw/zinc/92/28/65/476922865.db2.gz OTRMBQUMJCSQHV-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000452342638 476924620 /nfs/dbraw/zinc/92/46/20/476924620.db2.gz IVEZCXIDMNUYLJ-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000415434251 476926610 /nfs/dbraw/zinc/92/66/10/476926610.db2.gz HMEXTDYIJZGYHN-LDYMZIIASA-N 1 0 346.309 2.815 20 5 EFBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415430078 476927147 /nfs/dbraw/zinc/92/71/47/476927147.db2.gz BWPVYRZXINWGHW-SECBINFHSA-N 1 0 346.309 2.735 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000446854535 476928940 /nfs/dbraw/zinc/92/89/40/476928940.db2.gz ZTIFIHPZTSTCSV-XZJROXQQSA-N 1 0 328.372 2.518 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000446854533 476929911 /nfs/dbraw/zinc/92/99/11/476929911.db2.gz ZTIFIHPZTSTCSV-IUIKQTSFSA-N 1 0 328.372 2.518 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000415508728 476932999 /nfs/dbraw/zinc/93/29/99/476932999.db2.gz VOISKZBRHLYUOQ-KRWDZBQOSA-N 1 0 340.383 2.912 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2ccnc2)nc1 ZINC000375665307 476941889 /nfs/dbraw/zinc/94/18/89/476941889.db2.gz LRXKSLMAPLVKGH-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415655876 476949443 /nfs/dbraw/zinc/94/94/43/476949443.db2.gz KQHVSLUGMFUGGD-UHFFFAOYSA-N 1 0 336.392 2.777 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415661266 476950715 /nfs/dbraw/zinc/95/07/15/476950715.db2.gz QBHRPIPPFVRYGB-YNEHKIRRSA-N 1 0 348.403 2.503 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000447079134 476952124 /nfs/dbraw/zinc/95/21/24/476952124.db2.gz SZVWOBRWWUOIFI-IBGZPJMESA-N 1 0 341.411 2.952 20 5 EFBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423177517 476953867 /nfs/dbraw/zinc/95/38/67/476953867.db2.gz IZGPQWDVERWTCU-INIZCTEOSA-N 1 0 343.431 2.669 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000366339067 476961615 /nfs/dbraw/zinc/96/16/15/476961615.db2.gz JJTBLYXPSSFDIL-AWEZNQCLSA-N 1 0 348.378 2.649 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415904950 476965951 /nfs/dbraw/zinc/96/59/51/476965951.db2.gz YXTXRWINULRMDT-UHFFFAOYSA-N 1 0 340.383 2.605 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)[NH3+] ZINC000423226378 476969504 /nfs/dbraw/zinc/96/95/04/476969504.db2.gz QMQCFXJIFDOEAI-CXAGYDPISA-N 1 0 349.431 2.584 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000416005945 476988632 /nfs/dbraw/zinc/98/86/32/476988632.db2.gz KMJPFBUUDZAWQQ-SKDRFNHKSA-N 1 0 348.325 2.543 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447545811 477009147 /nfs/dbraw/zinc/00/91/47/477009147.db2.gz YFGJSMKPHOOGOQ-OAGGEKHMSA-N 1 0 337.468 2.841 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000375792833 477009327 /nfs/dbraw/zinc/00/93/27/477009327.db2.gz QZGLELVLYSCGDA-GUYCJALGSA-N 1 0 347.415 2.520 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000447544473 477009569 /nfs/dbraw/zinc/00/95/69/477009569.db2.gz VPCLBNFMLIRLSA-IKGGRYGDSA-N 1 0 349.479 2.985 20 5 EFBDRO CC1(C)CCCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447565133 477013521 /nfs/dbraw/zinc/01/35/21/477013521.db2.gz IXQRTDNKDBHGSL-JKSUJKDBSA-N 1 0 349.479 2.987 20 5 EFBDRO Cc1cc(OCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416094893 477016539 /nfs/dbraw/zinc/01/65/39/477016539.db2.gz BICUMBABRKLKQV-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)o1 ZINC000447581508 477016897 /nfs/dbraw/zinc/01/68/97/477016897.db2.gz URUCCWRNFWVSIF-LSDHHAIUSA-N 1 0 333.392 2.712 20 5 EFBDRO CN(C)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447589645 477018216 /nfs/dbraw/zinc/01/82/16/477018216.db2.gz YTHOYUSLKGSGBH-LSDHHAIUSA-N 1 0 344.419 2.526 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000410642148 477034529 /nfs/dbraw/zinc/03/45/29/477034529.db2.gz XSNSEALYWQYUKL-ZIAGYGMSSA-N 1 0 333.432 2.814 20 5 EFBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1C ZINC000423444750 477034934 /nfs/dbraw/zinc/03/49/34/477034934.db2.gz MATKRQBDTZARHN-HNNXBMFYSA-N 1 0 347.415 2.516 20 5 EFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423469269 477041162 /nfs/dbraw/zinc/04/11/62/477041162.db2.gz OTKZBTIJDVUMLN-VHSXEESVSA-N 1 0 343.836 2.536 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423514487 477056378 /nfs/dbraw/zinc/05/63/78/477056378.db2.gz DDBCEFXGOSMHMQ-CHWSQXEVSA-N 1 0 347.440 2.962 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447810569 477064011 /nfs/dbraw/zinc/06/40/11/477064011.db2.gz JQYUQKQAFWEBDD-NXEZZACHSA-N 1 0 341.795 2.929 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447810570 477064045 /nfs/dbraw/zinc/06/40/45/477064045.db2.gz JQYUQKQAFWEBDD-UWVGGRQHSA-N 1 0 341.795 2.929 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423587494 477077089 /nfs/dbraw/zinc/07/70/89/477077089.db2.gz FTRUAUJPACSLBC-UHFFFAOYSA-N 1 0 325.368 2.745 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000366611868 477096534 /nfs/dbraw/zinc/09/65/34/477096534.db2.gz XEQZJHKHESFLMA-GOSISDBHSA-N 1 0 346.358 2.836 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423663999 477103148 /nfs/dbraw/zinc/10/31/48/477103148.db2.gz DXPRSNVKKHMMIX-UHFFFAOYSA-N 1 0 331.416 2.736 20 5 EFBDRO Cc1cc(OCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431834367 477103494 /nfs/dbraw/zinc/10/34/94/477103494.db2.gz RFCJERZFUANXLS-ZFWWWQNUSA-N 1 0 349.431 2.519 20 5 EFBDRO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452850648 477106255 /nfs/dbraw/zinc/10/62/55/477106255.db2.gz MQZPVKZNTFSXBM-WBVHZDCISA-N 1 0 333.432 2.887 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371065457 477106829 /nfs/dbraw/zinc/10/68/29/477106829.db2.gz PAMPWJRQOLKBBL-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000411086728 477109794 /nfs/dbraw/zinc/10/97/94/477109794.db2.gz PGPUBBZQPZICSG-AWEZNQCLSA-N 1 0 334.420 2.581 20 5 EFBDRO COc1ccc(C[C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000371084199 477115636 /nfs/dbraw/zinc/11/56/36/477115636.db2.gz GEHWPJYIPZHVLN-MRXNPFEDSA-N 1 0 344.415 2.755 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448010588 477115701 /nfs/dbraw/zinc/11/57/01/477115701.db2.gz NKVUEOZFRUBCHD-INIZCTEOSA-N 1 0 348.447 2.823 20 5 EFBDRO O=C(C[C@@H]1CCC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720438 477122650 /nfs/dbraw/zinc/12/26/50/477122650.db2.gz HDIQIEKYAGGSMH-CQSZACIVSA-N 1 0 331.416 2.866 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411218926 477155795 /nfs/dbraw/zinc/15/57/95/477155795.db2.gz ANQNAWZOAYVUQV-CQSZACIVSA-N 1 0 335.404 2.596 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000411220579 477156261 /nfs/dbraw/zinc/15/62/61/477156261.db2.gz GDFSSZTVADOGJU-QGZVFWFLSA-N 1 0 343.383 2.589 20 5 EFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)CO2 ZINC000453101832 477168752 /nfs/dbraw/zinc/16/87/52/477168752.db2.gz AAUSHOBXDWJZPR-CQSZACIVSA-N 1 0 344.367 2.705 20 5 EFBDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC000453112926 477172363 /nfs/dbraw/zinc/17/23/63/477172363.db2.gz UDQSFIJRAXDFOT-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000453123332 477173688 /nfs/dbraw/zinc/17/36/88/477173688.db2.gz QICSUODFRUSLNR-AWEZNQCLSA-N 1 0 342.399 2.929 20 5 EFBDRO CC1(C)CN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC000432320303 477193528 /nfs/dbraw/zinc/19/35/28/477193528.db2.gz NLXPTNVICJXWOB-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO O=[N+]([O-])c1cccc2c(N3CCCN(CC(F)F)CC3)ccnc21 ZINC000432322529 477195237 /nfs/dbraw/zinc/19/52/37/477195237.db2.gz ZRUIGVSDUMIWLY-UHFFFAOYSA-N 1 0 336.342 2.920 20 5 EFBDRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453359720 477212389 /nfs/dbraw/zinc/21/23/89/477212389.db2.gz QFXXSZLINQEPHH-IHRRRGAJSA-N 1 0 332.408 2.842 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000453354317 477212776 /nfs/dbraw/zinc/21/27/76/477212776.db2.gz LLIJARSHTADBOT-ZIAGYGMSSA-N 1 0 331.376 2.930 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453360405 477214058 /nfs/dbraw/zinc/21/40/58/477214058.db2.gz KLLIETGFVAVZTL-KBXCAEBGSA-N 1 0 347.415 2.814 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(=O)NC ZINC000453365849 477214562 /nfs/dbraw/zinc/21/45/62/477214562.db2.gz LRDZLRJHVDQRCR-NEPJUHHUSA-N 1 0 325.434 2.580 20 5 EFBDRO Cc1c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000371292258 477222132 /nfs/dbraw/zinc/22/21/32/477222132.db2.gz BIFMTEDKDIDJAD-BPQIPLTHSA-N 1 0 333.432 2.587 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411414423 477225632 /nfs/dbraw/zinc/22/56/32/477225632.db2.gz MANJFIJCKGTTNI-XOKHGSTOSA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000457843630 477227277 /nfs/dbraw/zinc/22/72/77/477227277.db2.gz BKJRACINQLKBJE-XJKSGUPXSA-N 1 0 334.420 2.780 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000423971687 477239069 /nfs/dbraw/zinc/23/90/69/477239069.db2.gz HFODIOIGGOBHEI-KRWDZBQOSA-N 1 0 327.384 2.516 20 5 EFBDRO Cc1cccc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453576771 477240809 /nfs/dbraw/zinc/24/08/09/477240809.db2.gz NHOCGLKXUKZGAY-UHFFFAOYSA-N 1 0 326.400 2.663 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411475526 477249482 /nfs/dbraw/zinc/24/94/82/477249482.db2.gz SITWHJAOEJMBTI-GJZGRUSLSA-N 1 0 347.415 2.739 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411507059 477259189 /nfs/dbraw/zinc/25/91/89/477259189.db2.gz ZFDLKNFIDBWZQU-KRWDZBQOSA-N 1 0 347.415 2.814 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424024594 477265575 /nfs/dbraw/zinc/26/55/75/477265575.db2.gz WFKQJJUJWAUPAD-OCCSQVGLSA-N 1 0 333.432 2.949 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000424038127 477269671 /nfs/dbraw/zinc/26/96/71/477269671.db2.gz HXUAVLPSMPLRDL-HNNXBMFYSA-N 1 0 335.379 2.584 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000448745192 477272532 /nfs/dbraw/zinc/27/25/32/477272532.db2.gz DMAIIOSNWYBDKJ-ZDUSSCGKSA-N 1 0 345.321 2.684 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457954391 477274001 /nfs/dbraw/zinc/27/40/01/477274001.db2.gz NVDKHDDBLIQMBQ-UHFFFAOYSA-N 1 0 336.436 2.557 20 5 EFBDRO CCOc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432871745 477283108 /nfs/dbraw/zinc/28/31/08/477283108.db2.gz JLXLZDSLAQQEKC-AWEZNQCLSA-N 1 0 337.420 2.906 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000454284871 477284425 /nfs/dbraw/zinc/28/44/25/477284425.db2.gz YVWXLADKMVLNLQ-INIZCTEOSA-N 1 0 348.447 2.905 20 5 EFBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000411607328 477291991 /nfs/dbraw/zinc/29/19/91/477291991.db2.gz UBXZSPQKUJBGHJ-ZDUSSCGKSA-N 1 0 335.404 2.549 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000458158057 477294057 /nfs/dbraw/zinc/29/40/57/477294057.db2.gz DHVBTPXZIPZFLQ-GFCCVEGCSA-N 1 0 331.372 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000458174387 477302759 /nfs/dbraw/zinc/30/27/59/477302759.db2.gz SENJAIJKQYTONX-OAHLLOKOSA-N 1 0 349.431 2.520 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000458174386 477302785 /nfs/dbraw/zinc/30/27/85/477302785.db2.gz SENJAIJKQYTONX-HNNXBMFYSA-N 1 0 349.431 2.520 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000458186560 477310943 /nfs/dbraw/zinc/31/09/43/477310943.db2.gz LEIIVIIGLYJONW-ZDUSSCGKSA-N 1 0 337.445 2.535 20 5 EFBDRO CCn1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1=O ZINC000433175130 477316380 /nfs/dbraw/zinc/31/63/80/477316380.db2.gz NEOMTFFZTRYGNR-UVTDQMKNSA-N 1 0 327.384 2.970 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376409737 477320849 /nfs/dbraw/zinc/32/08/49/477320849.db2.gz UDJWJXCPOSUUJU-DZGCQCFKSA-N 1 0 347.415 2.610 20 5 EFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673776 477322127 /nfs/dbraw/zinc/32/21/27/477322127.db2.gz NEZNJAUKVUVJMY-CZUORRHYSA-N 1 0 335.404 2.549 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411691440 477329687 /nfs/dbraw/zinc/32/96/87/477329687.db2.gz CBBPYASJYKBRQN-CVEARBPZSA-N 1 0 333.388 2.567 20 5 EFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000371471073 477339346 /nfs/dbraw/zinc/33/93/46/477339346.db2.gz QPKQAAULVGWYAX-FRAGRWOZSA-N 1 0 345.443 2.792 20 5 EFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000411772301 477362622 /nfs/dbraw/zinc/36/26/22/477362622.db2.gz SZDLYGDWXLKLHA-QGZVFWFLSA-N 1 0 349.431 2.700 20 5 EFBDRO O=C(CC[N@@H+]1CCSC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411796287 477371883 /nfs/dbraw/zinc/37/18/83/477371883.db2.gz VUGRWVNQXFVPNT-HNNXBMFYSA-N 1 0 335.429 2.751 20 5 EFBDRO COc1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1OC ZINC000424340318 477376912 /nfs/dbraw/zinc/37/69/12/477376912.db2.gz GCMKCIIQYHUCSD-UHFFFAOYSA-N 1 0 348.359 2.780 20 5 EFBDRO COC(=O)c1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1 ZINC000424346122 477377997 /nfs/dbraw/zinc/37/79/97/477377997.db2.gz OFISOBVZRWJRII-UHFFFAOYSA-N 1 0 346.343 2.550 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376520586 477380428 /nfs/dbraw/zinc/38/04/28/477380428.db2.gz OKBATUMKNCYBMV-LRDDRELGSA-N 1 0 330.388 2.512 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411968321 477400227 /nfs/dbraw/zinc/40/02/27/477400227.db2.gz FVRMAHOPNMPLHN-LBPRGKRZSA-N 1 0 335.404 2.595 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411971581 477401975 /nfs/dbraw/zinc/40/19/75/477401975.db2.gz UERVPZCZIXDMGY-AUUYWEPGSA-N 1 0 339.395 2.785 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411991124 477402468 /nfs/dbraw/zinc/40/24/68/477402468.db2.gz YLSZCMZBHDJCKW-XYPHTWIQSA-N 1 0 339.395 2.857 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000436060440 477414328 /nfs/dbraw/zinc/41/43/28/477414328.db2.gz NNWBGGQFGGAOQX-LJQANCHMSA-N 1 0 349.434 2.751 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412396441 477421114 /nfs/dbraw/zinc/42/11/14/477421114.db2.gz IDYOUVKMNFTMIT-OAHLLOKOSA-N 1 0 349.431 2.938 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000449083017 477429216 /nfs/dbraw/zinc/42/92/16/477429216.db2.gz ADGJNHYBBPNUJH-ZDUSSCGKSA-N 1 0 344.367 2.923 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376620865 477432228 /nfs/dbraw/zinc/43/22/28/477432228.db2.gz UCQVIORINUSERZ-LBPRGKRZSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000449121864 477447991 /nfs/dbraw/zinc/44/79/91/477447991.db2.gz IXHWNFSYPZSJPK-YOEHRIQHSA-N 1 0 339.395 2.921 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000449139348 477455767 /nfs/dbraw/zinc/45/57/67/477455767.db2.gz KNJYACHHPSBKRP-CQSZACIVSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000449139347 477456345 /nfs/dbraw/zinc/45/63/45/477456345.db2.gz KNJYACHHPSBKRP-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000449165760 477467086 /nfs/dbraw/zinc/46/70/86/477467086.db2.gz ATEYPLINVBXMKY-QWHCGFSZSA-N 1 0 329.404 2.804 20 5 EFBDRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000371734330 477469148 /nfs/dbraw/zinc/46/91/48/477469148.db2.gz FINCXJRDXCTOQC-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO Cc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000367357984 477471333 /nfs/dbraw/zinc/47/13/33/477471333.db2.gz GJDIHUSECSXUPD-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000413033190 477478350 /nfs/dbraw/zinc/47/83/50/477478350.db2.gz LXQNKYRDHLRCBD-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000449198423 477481034 /nfs/dbraw/zinc/48/10/34/477481034.db2.gz BMXIPVWVDULVIP-OLZOCXBDSA-N 1 0 349.456 2.778 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449202841 477483683 /nfs/dbraw/zinc/48/36/83/477483683.db2.gz KKRZZMMSOIPZCI-OLZOCXBDSA-N 1 0 343.383 2.803 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094723 477496227 /nfs/dbraw/zinc/49/62/27/477496227.db2.gz PJUOFBPCEHLAKT-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455092240 477496625 /nfs/dbraw/zinc/49/66/25/477496625.db2.gz JSUSRRJPZWOACW-DUVNUKRYSA-N 1 0 332.404 2.582 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000449236820 477499298 /nfs/dbraw/zinc/49/92/98/477499298.db2.gz LWXJAJLNRIXYQE-HNNXBMFYSA-N 1 0 338.429 2.681 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449263661 477513338 /nfs/dbraw/zinc/51/33/38/477513338.db2.gz LWSLXOYSGNCSRI-QRTARXTBSA-N 1 0 344.415 2.862 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000449280778 477521511 /nfs/dbraw/zinc/52/15/11/477521511.db2.gz BKIIFYZLLUZUSY-JKSUJKDBSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000449286909 477525271 /nfs/dbraw/zinc/52/52/71/477525271.db2.gz VOYBAKYGYXUTRV-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1CCOC ZINC000413124354 477532376 /nfs/dbraw/zinc/53/23/76/477532376.db2.gz COKSBDPCEVQOFO-CQSZACIVSA-N 1 0 344.415 2.690 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413126964 477534674 /nfs/dbraw/zinc/53/46/74/477534674.db2.gz UXXSOJUNMKQUNG-UHFFFAOYSA-N 1 0 332.326 2.787 20 5 EFBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413132774 477537301 /nfs/dbraw/zinc/53/73/01/477537301.db2.gz PANQDYYTQJSNHN-CQSZACIVSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1c(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000458688394 477548304 /nfs/dbraw/zinc/54/83/04/477548304.db2.gz JEMVAQPAVSEAHC-GOSISDBHSA-N 1 0 346.431 2.531 20 5 EFBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413215053 477573850 /nfs/dbraw/zinc/57/38/50/477573850.db2.gz NPVILRCHVJJXGP-UHFFFAOYSA-N 1 0 345.378 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(C4CC4)CCOCC3)n2)cc1 ZINC000367565624 477575216 /nfs/dbraw/zinc/57/52/16/477575216.db2.gz MRXKDGRPPCZJOC-UHFFFAOYSA-N 1 0 344.371 2.694 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372009134 477597918 /nfs/dbraw/zinc/59/79/18/477597918.db2.gz IPIAOVKDDYOYIL-WMZOPIPTSA-N 1 0 345.443 2.860 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000450535013 477624433 /nfs/dbraw/zinc/62/44/33/477624433.db2.gz JWSXGGZHWABHFL-AWEZNQCLSA-N 1 0 335.404 2.597 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000450542737 477626750 /nfs/dbraw/zinc/62/67/50/477626750.db2.gz VDCZKPLENQDBBR-UWVGGRQHSA-N 1 0 345.321 2.778 20 5 EFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+](C2CC2)C1 ZINC000413322858 477627839 /nfs/dbraw/zinc/62/78/39/477627839.db2.gz HOPAOSAMSXVYCP-JTQLQIEISA-N 1 0 344.337 2.929 20 5 EFBDRO C[C@H]1CC(=O)NCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000367672248 477628703 /nfs/dbraw/zinc/62/87/03/477628703.db2.gz QXFHYDWGTVMIJP-LBPRGKRZSA-N 1 0 329.356 2.565 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425070628 477629029 /nfs/dbraw/zinc/62/90/29/477629029.db2.gz WWQHLZPFULZVRX-WMLDXEAASA-N 1 0 331.416 2.884 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000450549848 477629737 /nfs/dbraw/zinc/62/97/37/477629737.db2.gz WHHJQCUTMVKLGR-LBPRGKRZSA-N 1 0 347.415 2.610 20 5 EFBDRO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892002 477646105 /nfs/dbraw/zinc/64/61/05/477646105.db2.gz TWGFHDUZWJTHCB-UONOGXRCSA-N 1 0 334.420 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000420253514 477649727 /nfs/dbraw/zinc/64/97/27/477649727.db2.gz DUPYMQCHVFBADI-OLZOCXBDSA-N 1 0 330.413 2.764 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000420253518 477650299 /nfs/dbraw/zinc/65/02/99/477650299.db2.gz DUPYMQCHVFBADI-STQMWFEESA-N 1 0 330.413 2.764 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000372156236 477666480 /nfs/dbraw/zinc/66/64/80/477666480.db2.gz NLWHHWIULSKTRU-LSDHHAIUSA-N 1 0 347.415 2.590 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000425417785 477682865 /nfs/dbraw/zinc/68/28/65/477682865.db2.gz IHOFAJUTZATDQW-SMDDNHRTSA-N 1 0 343.221 2.950 20 5 EFBDRO Cc1cn2c(n1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000372226151 477702623 /nfs/dbraw/zinc/70/26/23/477702623.db2.gz QMWPJTDBSAWODK-GFCCVEGCSA-N 1 0 329.360 2.799 20 5 EFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450788379 477716488 /nfs/dbraw/zinc/71/64/88/477716488.db2.gz HJQFVUXKHSZUPA-PHIMTYICSA-N 1 0 347.337 2.505 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420372241 477731226 /nfs/dbraw/zinc/73/12/26/477731226.db2.gz QDFPLFVTGHUUIU-MRXNPFEDSA-N 1 0 348.447 2.729 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450834276 477732529 /nfs/dbraw/zinc/73/25/29/477732529.db2.gz ZCLQQXWDJIVVBU-YHWZYXNKSA-N 1 0 342.399 2.611 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426961510 477762713 /nfs/dbraw/zinc/76/27/13/477762713.db2.gz ALYINBIKKQYVPS-HNNXBMFYSA-N 1 0 349.431 2.988 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000372349885 477766929 /nfs/dbraw/zinc/76/69/29/477766929.db2.gz LEGNXNVMBDJDAW-UHFFFAOYSA-N 1 0 345.374 2.775 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367956277 477770039 /nfs/dbraw/zinc/77/00/39/477770039.db2.gz MGRUYSNVZRHEHT-DLBZAZTESA-N 1 0 334.416 2.703 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367956280 477770540 /nfs/dbraw/zinc/77/05/40/477770540.db2.gz MGRUYSNVZRHEHT-SJORKVTESA-N 1 0 334.416 2.703 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367956279 477770559 /nfs/dbraw/zinc/77/05/59/477770559.db2.gz MGRUYSNVZRHEHT-IRXDYDNUSA-N 1 0 334.416 2.703 20 5 EFBDRO CN(c1ccc([N+](=O)[O-])cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450947812 477770836 /nfs/dbraw/zinc/77/08/36/477770836.db2.gz CWZHDZOSAULMNV-UHFFFAOYSA-N 1 0 332.326 2.843 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000450947451 477771085 /nfs/dbraw/zinc/77/10/85/477771085.db2.gz BUZVHENBJLAZID-UHFFFAOYSA-N 1 0 332.404 2.766 20 5 EFBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000437883904 477771213 /nfs/dbraw/zinc/77/12/13/477771213.db2.gz QEZHXRITVXFRLW-UHFFFAOYSA-N 1 0 331.372 2.818 20 5 EFBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450949684 477772295 /nfs/dbraw/zinc/77/22/95/477772295.db2.gz KQEZFEJMERYSLB-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000372381709 477780555 /nfs/dbraw/zinc/78/05/55/477780555.db2.gz XZGQECLCALFYDH-NEPJUHHUSA-N 1 0 335.429 2.673 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438015765 477787322 /nfs/dbraw/zinc/78/73/22/477787322.db2.gz RFULSZNYZYODBW-AWEZNQCLSA-N 1 0 348.447 2.999 20 5 EFBDRO Cc1cc(OCC(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456176540 477808621 /nfs/dbraw/zinc/80/86/21/477808621.db2.gz WJXGTXJQKBESNC-UHFFFAOYSA-N 1 0 337.420 2.519 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000420911129 477811180 /nfs/dbraw/zinc/81/11/80/477811180.db2.gz XZCBVNPXBXZJPU-UHFFFAOYSA-N 1 0 346.431 2.535 20 5 EFBDRO CC(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000438253483 477813518 /nfs/dbraw/zinc/81/35/18/477813518.db2.gz DWZZZGKSRDIFBG-HNNXBMFYSA-N 1 0 349.475 2.995 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)C2CCOCC2)o1 ZINC000438334331 477826507 /nfs/dbraw/zinc/82/65/07/477826507.db2.gz ZFIDXSGSGLQNCJ-UHFFFAOYSA-N 1 0 346.383 2.828 20 5 EFBDRO CC[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000493819331 477841195 /nfs/dbraw/zinc/84/11/95/477841195.db2.gz MQESFAODTAYTGG-QWHCGFSZSA-N 1 0 341.839 2.525 20 5 EFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000515639273 477847860 /nfs/dbraw/zinc/84/78/60/477847860.db2.gz CDQOVXZBHXLQQI-ZWKOTPCHSA-N 1 0 347.415 2.718 20 5 EFBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954938 477853668 /nfs/dbraw/zinc/85/36/68/477853668.db2.gz ZXOVRBUOJICXNG-OLZOCXBDSA-N 1 0 331.372 2.700 20 5 EFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](Cc2ccccc2)C1 ZINC000456302873 477855486 /nfs/dbraw/zinc/85/54/86/477855486.db2.gz JBMOJSWCHIZDCK-CQSZACIVSA-N 1 0 343.383 2.782 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420961073 477857512 /nfs/dbraw/zinc/85/75/12/477857512.db2.gz HWYRSOSEZVCKNG-HOTGVXAUSA-N 1 0 334.416 2.847 20 5 EFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420959682 477858223 /nfs/dbraw/zinc/85/82/23/477858223.db2.gz QOBSPULAFDDVJJ-KBPBESRZSA-N 1 0 335.404 2.813 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000558411625 477863839 /nfs/dbraw/zinc/86/38/39/477863839.db2.gz JWQHBSUVKJUHAU-SCAUPEPPSA-N 1 0 345.443 2.793 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456336569 477869012 /nfs/dbraw/zinc/86/90/12/477869012.db2.gz YCQBRTXGSSOSPW-DUZACMNTSA-N 1 0 345.443 2.905 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460900929 477869392 /nfs/dbraw/zinc/86/93/92/477869392.db2.gz CBJYKYVGXMTWCD-QGZVFWFLSA-N 1 0 333.432 2.908 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000456341421 477872465 /nfs/dbraw/zinc/87/24/65/477872465.db2.gz FISZPVCUHGNGNJ-ZDUSSCGKSA-N 1 0 330.388 2.632 20 5 EFBDRO CCc1nc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378726 477879191 /nfs/dbraw/zinc/87/91/91/477879191.db2.gz IPJRBKPOOGEGEB-GFCCVEGCSA-N 1 0 331.376 2.535 20 5 EFBDRO CCc1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000428378730 477879678 /nfs/dbraw/zinc/87/96/78/477879678.db2.gz IPJRBKPOOGEGEB-LBPRGKRZSA-N 1 0 331.376 2.535 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451226165 477888299 /nfs/dbraw/zinc/88/82/99/477888299.db2.gz HGBOYKOAYPUDDK-SOUVJXGZSA-N 1 0 339.395 2.937 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000516142624 477893071 /nfs/dbraw/zinc/89/30/71/477893071.db2.gz FUCYJLLOJQJIIO-UHFFFAOYSA-N 1 0 329.291 2.510 20 5 EFBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[N@@H+]1C ZINC000421011096 477898897 /nfs/dbraw/zinc/89/88/97/477898897.db2.gz RUWGFMBLPTXOBV-MRXNPFEDSA-N 1 0 330.388 2.776 20 5 EFBDRO Cc1c(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438903069 477903147 /nfs/dbraw/zinc/90/31/47/477903147.db2.gz PQWZGTJPVIHERJ-KBPBESRZSA-N 1 0 333.432 2.825 20 5 EFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456395132 477911391 /nfs/dbraw/zinc/91/13/91/477911391.db2.gz ZMBRUIYIMLIXRR-OLZOCXBDSA-N 1 0 337.395 2.780 20 5 EFBDRO C[C@@H](O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439004564 477916438 /nfs/dbraw/zinc/91/64/38/477916438.db2.gz OSDFZUFEYXIXCA-LLVKDONJSA-N 1 0 347.337 2.507 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421033182 477922693 /nfs/dbraw/zinc/92/26/93/477922693.db2.gz AGIJWMKTPZXCCQ-LLVKDONJSA-N 1 0 326.784 2.806 20 5 EFBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000532453083 477930527 /nfs/dbraw/zinc/93/05/27/477930527.db2.gz URAMVSZFTFFMCN-GJZGRUSLSA-N 1 0 330.384 2.994 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451296866 477938426 /nfs/dbraw/zinc/93/84/26/477938426.db2.gz BNBVFVNVKHRVCW-XHBSWPGZSA-N 1 0 340.807 2.610 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000516563893 477950813 /nfs/dbraw/zinc/95/08/13/477950813.db2.gz YRPNADIYBRDHAE-KSSFIOAISA-N 1 0 330.384 2.728 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000516563894 477951683 /nfs/dbraw/zinc/95/16/83/477951683.db2.gz YRPNADIYBRDHAE-RDTXWAMCSA-N 1 0 330.384 2.728 20 5 EFBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559144200 477961106 /nfs/dbraw/zinc/96/11/06/477961106.db2.gz JUJMTJNTGKXRBA-UHFFFAOYSA-N 1 0 333.310 2.570 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464824275 477962574 /nfs/dbraw/zinc/96/25/74/477962574.db2.gz UOGHIUOEDGGKCA-QAPCUYQASA-N 1 0 349.431 2.977 20 5 EFBDRO Cc1c(CC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000532676810 477969577 /nfs/dbraw/zinc/96/95/77/477969577.db2.gz VFGHJAHKOLGLIF-UHFFFAOYSA-N 1 0 333.432 2.779 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000456543295 477974794 /nfs/dbraw/zinc/97/47/94/477974794.db2.gz FESAEAXOMJUFNN-CYBMUJFWSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000456562476 477984670 /nfs/dbraw/zinc/98/46/70/477984670.db2.gz VPGTXWVVEFVRGO-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000494450649 477988851 /nfs/dbraw/zinc/98/88/51/477988851.db2.gz FUWIBYZNAMEHCI-QGZVFWFLSA-N 1 0 327.384 2.769 20 5 EFBDRO CC1(C)Cc2ccsc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459583967 477990099 /nfs/dbraw/zinc/99/00/99/477990099.db2.gz QDRHYFFEEUNLJZ-UHFFFAOYSA-N 1 0 333.413 2.655 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000532821493 477995071 /nfs/dbraw/zinc/99/50/71/477995071.db2.gz PTNGYAINFGQBIA-UHFFFAOYSA-N 1 0 344.415 2.574 20 5 EFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451412985 477999561 /nfs/dbraw/zinc/99/95/61/477999561.db2.gz GQENQGWDLREBDO-YSVLISHTSA-N 1 0 347.415 2.549 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000451413570 478000891 /nfs/dbraw/zinc/00/08/91/478000891.db2.gz BUBLOJPSRYLVFN-XPKDYRNWSA-N 1 0 338.379 2.868 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000451413567 478000915 /nfs/dbraw/zinc/00/09/15/478000915.db2.gz BUBLOJPSRYLVFN-BJJXKVORSA-N 1 0 338.379 2.868 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000516921934 478012510 /nfs/dbraw/zinc/01/25/10/478012510.db2.gz XTTWTWPLTGORTC-DYVFJYSZSA-N 1 0 330.384 2.858 20 5 EFBDRO CCO[C@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459629194 478016421 /nfs/dbraw/zinc/01/64/21/478016421.db2.gz GMSVFNMEAKQIFG-IMJJTQAJSA-N 1 0 330.388 2.575 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428994009 478023514 /nfs/dbraw/zinc/02/35/14/478023514.db2.gz DUYVILKJIAINRT-JKIFEVAISA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000428994006 478024361 /nfs/dbraw/zinc/02/43/61/478024361.db2.gz DUYVILKJIAINRT-JJRVBVJISA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451454244 478025964 /nfs/dbraw/zinc/02/59/64/478025964.db2.gz HVFHBVVQHZKGJL-OAHLLOKOSA-N 1 0 333.388 2.854 20 5 EFBDRO Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000560213396 478032908 /nfs/dbraw/zinc/03/29/08/478032908.db2.gz LJWYAZMBFQIZKN-NVXWUHKLSA-N 1 0 341.415 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1Cl ZINC000560261159 478037275 /nfs/dbraw/zinc/03/72/75/478037275.db2.gz PWJOUPNJTPTISY-ZDUSSCGKSA-N 1 0 336.775 2.778 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451477142 478037273 /nfs/dbraw/zinc/03/72/73/478037273.db2.gz HGIFYXQJBLEBJI-KBRIMQKVSA-N 1 0 347.415 2.635 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1Cl ZINC000560261157 478037430 /nfs/dbraw/zinc/03/74/30/478037430.db2.gz PWJOUPNJTPTISY-CYBMUJFWSA-N 1 0 336.775 2.778 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429019944 478040159 /nfs/dbraw/zinc/04/01/59/478040159.db2.gz KNYIMBQHIQUSNC-GRDNDAEWSA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429027685 478041362 /nfs/dbraw/zinc/04/13/62/478041362.db2.gz KUWOTZWVMGLPLI-SQWLQELKSA-N 1 0 333.432 2.766 20 5 EFBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000517042958 478043125 /nfs/dbraw/zinc/04/31/25/478043125.db2.gz DXOQIIJKKGNWIM-HNNXBMFYSA-N 1 0 334.347 2.572 20 5 EFBDRO COC1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000459693640 478043599 /nfs/dbraw/zinc/04/35/99/478043599.db2.gz WXHYDUOEOUMYEC-VEAWUBTESA-N 1 0 335.404 2.859 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451485435 478045052 /nfs/dbraw/zinc/04/50/52/478045052.db2.gz CYTWXSRKNBSCQI-HUUCEWRRSA-N 1 0 335.404 2.635 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000439909500 478048102 /nfs/dbraw/zinc/04/81/02/478048102.db2.gz PIDQHHNWCUQGDH-UHFFFAOYSA-N 1 0 338.408 2.847 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451512747 478060224 /nfs/dbraw/zinc/06/02/24/478060224.db2.gz XZQKREGFPHUHJC-CABCVRRESA-N 1 0 335.404 2.635 20 5 EFBDRO CCO[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000451523237 478064389 /nfs/dbraw/zinc/06/43/89/478064389.db2.gz JAKLLNVMBLSKGA-SWLSCSKDSA-N 1 0 346.387 2.892 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459746480 478071904 /nfs/dbraw/zinc/07/19/04/478071904.db2.gz FNICZWUXRBPHLB-HZPDHXFCSA-N 1 0 347.415 2.779 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459761475 478079755 /nfs/dbraw/zinc/07/97/55/478079755.db2.gz AXQDVNIKKCKPNT-XBFCOCLRSA-N 1 0 333.388 2.710 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](c1ccco1)[NH+](C)C ZINC000429204971 478079904 /nfs/dbraw/zinc/07/99/04/478079904.db2.gz KTRURJGXPMWEDQ-OAHLLOKOSA-N 1 0 347.371 2.998 20 5 EFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451547443 478082489 /nfs/dbraw/zinc/08/24/89/478082489.db2.gz TYVIWKOXTNXYBI-CZUORRHYSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000459769018 478083774 /nfs/dbraw/zinc/08/37/74/478083774.db2.gz YVKTUYFRTKXXEP-AWEZNQCLSA-N 1 0 334.347 2.608 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000533506526 478090507 /nfs/dbraw/zinc/09/05/07/478090507.db2.gz OYVIKKFEELCJLS-OAHLLOKOSA-N 1 0 348.447 2.877 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451555542 478092632 /nfs/dbraw/zinc/09/26/32/478092632.db2.gz BYKHEBXXJRBGII-MLGOLLRUSA-N 1 0 335.404 2.589 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459796380 478097369 /nfs/dbraw/zinc/09/73/69/478097369.db2.gz YMOSVCLUTPCVQJ-RFHZTLPTSA-N 1 0 333.388 2.709 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000421475886 478101431 /nfs/dbraw/zinc/10/14/31/478101431.db2.gz BHSGVCHNIGOEGH-UHFFFAOYSA-N 1 0 328.372 2.921 20 5 EFBDRO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C ZINC000488001427 478105206 /nfs/dbraw/zinc/10/52/06/478105206.db2.gz JRNMJACNHQHPHS-RHSMWYFYSA-N 1 0 349.431 2.695 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000451592788 478112297 /nfs/dbraw/zinc/11/22/97/478112297.db2.gz RGGPWGZEIZTNNY-CVEARBPZSA-N 1 0 336.388 2.685 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000451593582 478114311 /nfs/dbraw/zinc/11/43/11/478114311.db2.gz CWKQBEOPNOWMRA-BBRMVZONSA-N 1 0 326.343 2.760 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000440481134 478122965 /nfs/dbraw/zinc/12/29/65/478122965.db2.gz MHEHZDJTBSWIPQ-IBGZPJMESA-N 1 0 342.395 2.787 20 5 EFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429388098 478127141 /nfs/dbraw/zinc/12/71/41/478127141.db2.gz ULMFONMGHUXMPX-BBRMVZONSA-N 1 0 336.388 2.623 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534144703 478128158 /nfs/dbraw/zinc/12/81/58/478128158.db2.gz RIZROCYUNDSVHC-CJNGLKHVSA-N 1 0 338.411 2.973 20 5 EFBDRO COc1cc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC000517921667 478132519 /nfs/dbraw/zinc/13/25/19/478132519.db2.gz KJAWIEXRHLDCGP-GFCCVEGCSA-N 1 0 347.415 2.516 20 5 EFBDRO CCOc1ccc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429486771 478142829 /nfs/dbraw/zinc/14/28/29/478142829.db2.gz GTMOYUPQTZNFOG-GFCCVEGCSA-N 1 0 343.383 2.943 20 5 EFBDRO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229117 478147177 /nfs/dbraw/zinc/14/71/77/478147177.db2.gz NHFYZUSFWZPTRC-MEDUHNTESA-N 1 0 332.360 2.553 20 5 EFBDRO CC[C@]1(O)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495229116 478147357 /nfs/dbraw/zinc/14/73/57/478147357.db2.gz NHFYZUSFWZPTRC-BZNIZROVSA-N 1 0 332.360 2.553 20 5 EFBDRO CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000429559953 478154524 /nfs/dbraw/zinc/15/45/24/478154524.db2.gz IRIYUQXUSFKGBR-UHFFFAOYSA-N 1 0 345.443 2.863 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561160090 478159799 /nfs/dbraw/zinc/15/97/99/478159799.db2.gz JMMILGSBYBDIPB-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO Cc1cccc2c1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000429583574 478159908 /nfs/dbraw/zinc/15/99/08/478159908.db2.gz BLKXWISXUQAOKO-QGZVFWFLSA-N 1 0 342.395 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000518351339 478160692 /nfs/dbraw/zinc/16/06/92/478160692.db2.gz YYLTVFAPPHJSKS-UHFFFAOYSA-N 1 0 341.411 2.968 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000488723801 478174351 /nfs/dbraw/zinc/17/43/51/478174351.db2.gz XLEWUCWNBKDUHE-MKBNYLNASA-N 1 0 329.404 2.638 20 5 EFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)C1 ZINC000488737462 478176000 /nfs/dbraw/zinc/17/60/00/478176000.db2.gz RZIDUKBJAWYZCN-HEHGZKQESA-N 1 0 341.415 2.705 20 5 EFBDRO CC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488750671 478178741 /nfs/dbraw/zinc/17/87/41/478178741.db2.gz OGPRWAMBIYHINH-VEVIJQCQSA-N 1 0 331.416 2.964 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488763657 478180252 /nfs/dbraw/zinc/18/02/52/478180252.db2.gz JSXKSTKVZSRSFZ-XJKCOSOUSA-N 1 0 347.415 2.548 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451726927 478180427 /nfs/dbraw/zinc/18/04/27/478180427.db2.gz WVZYLZRVCYVNPR-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451731083 478182425 /nfs/dbraw/zinc/18/24/25/478182425.db2.gz QGXIRSGENCITMU-CQSZACIVSA-N 1 0 345.403 2.561 20 5 EFBDRO C[C@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000518641911 478182780 /nfs/dbraw/zinc/18/27/80/478182780.db2.gz PBFXSKXNDXYGMJ-LBPRGKRZSA-N 1 0 328.372 2.794 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000451777050 478200014 /nfs/dbraw/zinc/20/00/14/478200014.db2.gz BGZQLJCDBJIROX-LBPRGKRZSA-N 1 0 328.384 2.971 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451785874 478203280 /nfs/dbraw/zinc/20/32/80/478203280.db2.gz VWGAOHDMRJYJAY-AWEZNQCLSA-N 1 0 337.420 2.571 20 5 EFBDRO CC(C)Oc1nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000518999973 478204210 /nfs/dbraw/zinc/20/42/10/478204210.db2.gz NYQHQSOVQRCMPP-ZDUSSCGKSA-N 1 0 334.420 2.698 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535265745 478205540 /nfs/dbraw/zinc/20/55/40/478205540.db2.gz MMBAXUWVCCXNLN-KRWDZBQOSA-N 1 0 340.383 2.553 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488966355 478206467 /nfs/dbraw/zinc/20/64/67/478206467.db2.gz AKAVLNTUQMYHTP-UHFFFAOYSA-N 1 0 336.436 2.861 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)n1 ZINC000489030649 478212694 /nfs/dbraw/zinc/21/26/94/478212694.db2.gz YSILLQSSHWOGRZ-UHFFFAOYSA-N 1 0 342.399 2.606 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000535577064 478216895 /nfs/dbraw/zinc/21/68/95/478216895.db2.gz ZPQMPOXYRLFRER-UHFFFAOYSA-N 1 0 342.399 2.945 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000495619777 478247479 /nfs/dbraw/zinc/24/74/79/478247479.db2.gz YPBZJJWZXCYZJU-UHFFFAOYSA-N 1 0 341.795 2.816 20 5 EFBDRO C[C@@H]([NH3+])c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000519696760 478251011 /nfs/dbraw/zinc/25/10/11/478251011.db2.gz FCOIYKFTSLVTOF-GFCCVEGCSA-N 1 0 341.367 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cn1 ZINC000536638590 478264870 /nfs/dbraw/zinc/26/48/70/478264870.db2.gz UIKLOATTWRPMRQ-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2c(c1)COCO2 ZINC000579350057 478277324 /nfs/dbraw/zinc/27/73/24/478277324.db2.gz YQKFKZOIJWOCTI-CXAGYDPISA-N 1 0 348.399 2.852 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H](C3CC3)[C@H]1C1CC1)OCCO2 ZINC000590660148 478279495 /nfs/dbraw/zinc/27/94/95/478279495.db2.gz FJIZSLIPFMSQFY-KBXCAEBGSA-N 1 0 330.384 2.986 20 5 EFBDRO CC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000590695553 478294754 /nfs/dbraw/zinc/29/47/54/478294754.db2.gz BTAQTDRLUSOVSB-GFCCVEGCSA-N 1 0 330.388 2.682 20 5 EFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000590694412 478295045 /nfs/dbraw/zinc/29/50/45/478295045.db2.gz JMBBSFWHMKNZEM-CQSZACIVSA-N 1 0 342.399 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C4CCC4)CC3)c2c1 ZINC000590729923 478309845 /nfs/dbraw/zinc/30/98/45/478309845.db2.gz UUASITZUPYAPGC-UHFFFAOYSA-N 1 0 327.388 2.967 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594281053 478318031 /nfs/dbraw/zinc/31/80/31/478318031.db2.gz BDLRWTFUCSAYCO-NVXWUHKLSA-N 1 0 346.431 2.753 20 5 EFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000590752417 478319302 /nfs/dbraw/zinc/31/93/02/478319302.db2.gz TWYZUHZWMWYDJJ-CABCVRRESA-N 1 0 336.388 2.813 20 5 EFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754532 478320472 /nfs/dbraw/zinc/32/04/72/478320472.db2.gz KTFZIKUYWGKGQZ-UHFFFAOYSA-N 1 0 331.372 2.818 20 5 EFBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000590755000 478320562 /nfs/dbraw/zinc/32/05/62/478320562.db2.gz ZIDWTGXFAIOCHK-UHFFFAOYSA-N 1 0 328.372 2.759 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310325 478332785 /nfs/dbraw/zinc/33/27/85/478332785.db2.gz IEKCHALATBXECY-OAHLLOKOSA-N 1 0 348.447 2.635 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000600316304 478337748 /nfs/dbraw/zinc/33/77/48/478337748.db2.gz ZIGKNOUFFOXVHG-RRQGHBQHSA-N 1 0 331.416 2.546 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000594388857 478354994 /nfs/dbraw/zinc/35/49/94/478354994.db2.gz BUAHWDWORYALMN-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520974158 478358303 /nfs/dbraw/zinc/35/83/03/478358303.db2.gz RLDFDLCMKOKUPV-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccn1 ZINC000538614305 478366210 /nfs/dbraw/zinc/36/62/10/478366210.db2.gz HBOIXEBDWMNJKI-CQSZACIVSA-N 1 0 342.399 2.929 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000594418473 478374619 /nfs/dbraw/zinc/37/46/19/478374619.db2.gz JFLMTVQWBUWCEU-HIFRSBDPSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000594419135 478375941 /nfs/dbraw/zinc/37/59/41/478375941.db2.gz NOIQGYXGYBBVQX-ZFWWWQNUSA-N 1 0 342.399 2.823 20 5 EFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000570563831 478388273 /nfs/dbraw/zinc/38/82/73/478388273.db2.gz BUYQXJACBNHQLX-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000539082056 478401123 /nfs/dbraw/zinc/40/11/23/478401123.db2.gz IHBWOWARLIEEDE-DNOWBOINSA-N 1 0 340.445 2.910 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000594495703 478410904 /nfs/dbraw/zinc/41/09/04/478410904.db2.gz SZBSZQHIKASYAD-KRWDZBQOSA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000594499782 478413366 /nfs/dbraw/zinc/41/33/66/478413366.db2.gz JORUDCCQQSCGRU-WMLDXEAASA-N 1 0 333.432 2.673 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594498789 478413408 /nfs/dbraw/zinc/41/34/08/478413408.db2.gz LIHNPIPELGLGGL-YOEHRIQHSA-N 1 0 333.432 2.807 20 5 EFBDRO C[C@H]1C[N@H+](CCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000594499783 478414273 /nfs/dbraw/zinc/41/42/73/478414273.db2.gz JORUDCCQQSCGRU-YOEHRIQHSA-N 1 0 333.432 2.673 20 5 EFBDRO CC[C@H]1CN(C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563022648 478419976 /nfs/dbraw/zinc/41/99/76/478419976.db2.gz CAYXIOOTHIQASZ-HNNXBMFYSA-N 1 0 344.415 2.818 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000597586444 478421809 /nfs/dbraw/zinc/42/18/09/478421809.db2.gz CVEQBJYOGHBULU-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO C[C@@H](C(=O)NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000597589155 478422538 /nfs/dbraw/zinc/42/25/38/478422538.db2.gz UJBIXJXVXZTGSM-GFCCVEGCSA-N 1 0 335.379 2.582 20 5 EFBDRO CC(C)(C(=O)NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000597587700 478423400 /nfs/dbraw/zinc/42/34/00/478423400.db2.gz CGSHFJNCCVOEQQ-UHFFFAOYSA-N 1 0 349.406 2.756 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597603439 478427871 /nfs/dbraw/zinc/42/78/71/478427871.db2.gz BYXDEXGJEZXOFI-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000539715419 478428575 /nfs/dbraw/zinc/42/85/75/478428575.db2.gz ANYYRLXPNGFCHU-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597604151 478428637 /nfs/dbraw/zinc/42/86/37/478428637.db2.gz GTHAJXVPZAQKDA-LBPRGKRZSA-N 1 0 330.388 2.632 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000597605705 478430370 /nfs/dbraw/zinc/43/03/70/478430370.db2.gz SBIHMZOIBDLODA-QWHCGFSZSA-N 1 0 337.395 2.780 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000591013133 478430819 /nfs/dbraw/zinc/43/08/19/478430819.db2.gz YDZPBUVLUMFFJS-HNNXBMFYSA-N 1 0 333.388 2.806 20 5 EFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000591011878 478431819 /nfs/dbraw/zinc/43/18/19/478431819.db2.gz WUJVXJSWQMAUAX-UHFFFAOYSA-N 1 0 335.404 2.814 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000594563158 478439706 /nfs/dbraw/zinc/43/97/06/478439706.db2.gz XXJANPOHVQNDNV-UONOGXRCSA-N 1 0 334.420 2.698 20 5 EFBDRO Cn1ncc2c1CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000591041801 478442105 /nfs/dbraw/zinc/44/21/05/478442105.db2.gz MTJZRNDMPKLJIL-UHFFFAOYSA-N 1 0 330.388 2.546 20 5 EFBDRO COc1cccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000570783797 478444201 /nfs/dbraw/zinc/44/42/01/478444201.db2.gz MVBHYAZRZUAZDN-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)nc1 ZINC000539838784 478445179 /nfs/dbraw/zinc/44/51/79/478445179.db2.gz YHUCISLQVNKEEE-CYBMUJFWSA-N 1 0 338.371 2.553 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000539969176 478452010 /nfs/dbraw/zinc/45/20/10/478452010.db2.gz IGZOIQDXGVPFAU-HZSPNIEDSA-N 1 0 335.404 2.717 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000594593889 478453716 /nfs/dbraw/zinc/45/37/16/478453716.db2.gz GEINVFCFNWBSQH-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000570818808 478454866 /nfs/dbraw/zinc/45/48/66/478454866.db2.gz MORDVILJYSXROQ-INIZCTEOSA-N 1 0 348.447 2.509 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000594596604 478455464 /nfs/dbraw/zinc/45/54/64/478455464.db2.gz AUHVPCMWJXPXMX-HZPDHXFCSA-N 1 0 327.388 2.967 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597702202 478470684 /nfs/dbraw/zinc/47/06/84/478470684.db2.gz ZDKOSJYFVMKWFB-GXTWGEPZSA-N 1 0 335.404 2.547 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597702203 478471149 /nfs/dbraw/zinc/47/11/49/478471149.db2.gz ZDKOSJYFVMKWFB-JSGCOSHPSA-N 1 0 335.404 2.547 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C2 ZINC000597710382 478474305 /nfs/dbraw/zinc/47/43/05/478474305.db2.gz LNVDKKANXYMPNT-IBGZPJMESA-N 1 0 345.443 2.817 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597711592 478474446 /nfs/dbraw/zinc/47/44/46/478474446.db2.gz VNUIWFBCMWTANU-KSSFIOAISA-N 1 0 331.416 2.643 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000581954142 478475869 /nfs/dbraw/zinc/47/58/69/478475869.db2.gz LAIGVBFYMVJHRT-MGHWNKPDSA-N 1 0 343.427 2.819 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000597714144 478476339 /nfs/dbraw/zinc/47/63/39/478476339.db2.gz GTJIGMCIKWIRFC-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000581954099 478476686 /nfs/dbraw/zinc/47/66/86/478476686.db2.gz JNRHLSIOQGIREH-INIZCTEOSA-N 1 0 326.400 2.947 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC000597716946 478478001 /nfs/dbraw/zinc/47/80/01/478478001.db2.gz UFNYIQPURNXPFB-GOSISDBHSA-N 1 0 342.399 2.634 20 5 EFBDRO COc1ccc(CC(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000570943696 478487103 /nfs/dbraw/zinc/48/71/03/478487103.db2.gz KOOIICCARLBDRX-UHFFFAOYSA-N 1 0 349.431 2.575 20 5 EFBDRO [NH3+]C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600728559 478491121 /nfs/dbraw/zinc/49/11/21/478491121.db2.gz UTQWNEIBLTVUCX-TZMCWYRMSA-N 1 0 331.338 2.596 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000563253911 478495884 /nfs/dbraw/zinc/49/58/84/478495884.db2.gz FYUHVJKJQFEMPG-YESZJQIVSA-N 1 0 331.416 2.641 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1CNCC[NH2+]C1CCCCCC1)OCCO2 ZINC000591275170 478505332 /nfs/dbraw/zinc/50/53/32/478505332.db2.gz SLFCFFCUXVSIML-UHFFFAOYSA-N 1 0 349.431 2.768 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591299007 478514858 /nfs/dbraw/zinc/51/48/58/478514858.db2.gz WKFLWKQAWYSPDS-ZIAGYGMSSA-N 1 0 332.404 2.838 20 5 EFBDRO Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000600776244 478515283 /nfs/dbraw/zinc/51/52/83/478515283.db2.gz QGYHRHMHZKDBMP-OLZOCXBDSA-N 1 0 331.338 2.862 20 5 EFBDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591310680 478518049 /nfs/dbraw/zinc/51/80/49/478518049.db2.gz BDEYSDBMDFDCFH-NSHDSACASA-N 1 0 341.371 2.518 20 5 EFBDRO Cc1ccc(-c2cnn(C[C@H]3C[N@H+](C(C)C)CCO3)c2)cc1[N+](=O)[O-] ZINC000600789521 478521718 /nfs/dbraw/zinc/52/17/18/478521718.db2.gz FRGVWYRZBJYOTG-QGZVFWFLSA-N 1 0 344.415 2.876 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491402100 478536582 /nfs/dbraw/zinc/53/65/82/478536582.db2.gz RJWKGNSVENXVLT-BPJJOFIESA-N 1 0 335.379 2.594 20 5 EFBDRO Cc1ncsc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000600849140 478540270 /nfs/dbraw/zinc/54/02/70/478540270.db2.gz KUHQMOIKSPJTME-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491434053 478546343 /nfs/dbraw/zinc/54/63/43/478546343.db2.gz GNWJOPRNPCGCED-IOBAAEILSA-N 1 0 347.390 2.834 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597859509 478547191 /nfs/dbraw/zinc/54/71/91/478547191.db2.gz DZHYFIIIGKSXJG-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597861660 478548350 /nfs/dbraw/zinc/54/83/50/478548350.db2.gz UVTMJVXXQRNGHX-RRQGHBQHSA-N 1 0 345.443 2.935 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439678 478553090 /nfs/dbraw/zinc/55/30/90/478553090.db2.gz XTXPNCOCRKBRHK-GXSJLCMTSA-N 1 0 326.194 2.546 20 5 EFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000591443728 478553587 /nfs/dbraw/zinc/55/35/87/478553587.db2.gz VTMCGUHBSBIJBO-DOMZBBRYSA-N 1 0 325.796 2.581 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC000591443346 478553624 /nfs/dbraw/zinc/55/36/24/478553624.db2.gz ZVTUIZKCHHPUTJ-ZIAGYGMSSA-N 1 0 341.415 2.754 20 5 EFBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591442914 478553824 /nfs/dbraw/zinc/55/38/24/478553824.db2.gz OBIDFZOYCFISOI-MNOVXSKESA-N 1 0 329.322 2.968 20 5 EFBDRO C[NH2+]C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000591445535 478554995 /nfs/dbraw/zinc/55/49/95/478554995.db2.gz VGCMQZTYTBGGEE-UHFFFAOYSA-N 1 0 327.388 2.548 20 5 EFBDRO COc1ccc(OCC[N@H+](C)CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000541392019 478555570 /nfs/dbraw/zinc/55/55/70/478555570.db2.gz DNEZVTOXSCDRGI-UHFFFAOYSA-N 1 0 346.383 2.862 20 5 EFBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000541597042 478572395 /nfs/dbraw/zinc/57/23/95/478572395.db2.gz KQXFGEIHHPVPFJ-HZMBPMFUSA-N 1 0 343.811 2.836 20 5 EFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597920377 478574901 /nfs/dbraw/zinc/57/49/01/478574901.db2.gz ASNIATBAQPTNDI-RYUDHWBXSA-N 1 0 337.395 2.826 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531660 478578383 /nfs/dbraw/zinc/57/83/83/478578383.db2.gz HOVOWWZOTQQWFK-SOIVGHGOSA-N 1 0 335.379 2.690 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597925837 478579205 /nfs/dbraw/zinc/57/92/05/478579205.db2.gz SGOPWHDONWGVJZ-JTQLQIEISA-N 1 0 325.796 2.851 20 5 EFBDRO COc1cc(CN[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000594914175 478582895 /nfs/dbraw/zinc/58/28/95/478582895.db2.gz DZINEJQWGHYRSX-CYBMUJFWSA-N 1 0 337.420 2.576 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591581114 478585021 /nfs/dbraw/zinc/58/50/21/478585021.db2.gz KUJPTDISYWEJKE-XQQFMLRXSA-N 1 0 327.425 2.755 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600965820 478589269 /nfs/dbraw/zinc/58/92/69/478589269.db2.gz BUYMDIPTOCVLDJ-CYBMUJFWSA-N 1 0 326.784 2.710 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491564643 478591382 /nfs/dbraw/zinc/59/13/82/478591382.db2.gz YCJXGITWCWPFII-KVPUOBJLSA-N 1 0 329.400 2.741 20 5 EFBDRO CN(CCC[NH3+])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000591679311 478605436 /nfs/dbraw/zinc/60/54/36/478605436.db2.gz QDLADMDVXKOMMP-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000597992043 478609379 /nfs/dbraw/zinc/60/93/79/478609379.db2.gz IWAFFGDQODYPNB-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO C[C@@H](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000597991335 478609609 /nfs/dbraw/zinc/60/96/09/478609609.db2.gz DRSZVAAOONTWQO-NSHDSACASA-N 1 0 348.428 2.788 20 5 EFBDRO C[C@H](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991652 478610302 /nfs/dbraw/zinc/61/03/02/478610302.db2.gz GGMFGPVIMMTBAX-SNVBAGLBSA-N 1 0 345.852 2.797 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597997536 478611685 /nfs/dbraw/zinc/61/16/85/478611685.db2.gz MSDBRZBVHDBCCG-RYUDHWBXSA-N 1 0 325.434 2.532 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)c2c(F)cccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000601008600 478612792 /nfs/dbraw/zinc/61/27/92/478612792.db2.gz STBMQWMRYQJUIV-YVEFUNNKSA-N 1 0 337.395 2.974 20 5 EFBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000591728417 478614693 /nfs/dbraw/zinc/61/46/93/478614693.db2.gz XHZWEOLRCMXHGD-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000591734563 478615427 /nfs/dbraw/zinc/61/54/27/478615427.db2.gz PDNHRSFMZGVAKU-GJZGRUSLSA-N 1 0 345.399 2.861 20 5 EFBDRO CC(C)c1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000591742275 478618725 /nfs/dbraw/zinc/61/87/25/478618725.db2.gz NNZQOSKGAPNJCK-UHFFFAOYSA-N 1 0 332.360 2.825 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594992421 478619961 /nfs/dbraw/zinc/61/99/61/478619961.db2.gz RCQCTWWAKKECAC-LBPRGKRZSA-N 1 0 329.347 2.770 20 5 EFBDRO CCCN1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000594992149 478620634 /nfs/dbraw/zinc/62/06/34/478620634.db2.gz PNZWPKJYFVDFSN-INIZCTEOSA-N 1 0 343.431 2.569 20 5 EFBDRO C[C@H]1C[C@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000591759115 478621964 /nfs/dbraw/zinc/62/19/64/478621964.db2.gz GKQNQOTXMYVHRA-UONOGXRCSA-N 1 0 335.404 2.718 20 5 EFBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000594997324 478623712 /nfs/dbraw/zinc/62/37/12/478623712.db2.gz VDUUAVWMOOKAPZ-KRZKXXONSA-N 1 0 334.416 2.765 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000595004547 478624958 /nfs/dbraw/zinc/62/49/58/478624958.db2.gz UAMZCCKHAHHXGE-UKRRQHHQSA-N 1 0 346.383 2.694 20 5 EFBDRO CC1(C)CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591767788 478625587 /nfs/dbraw/zinc/62/55/87/478625587.db2.gz KWUXCZBJKQYGIV-CYBMUJFWSA-N 1 0 340.445 2.784 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000595005107 478625668 /nfs/dbraw/zinc/62/56/68/478625668.db2.gz CSHUSIXIBAMPFP-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000591771336 478626501 /nfs/dbraw/zinc/62/65/01/478626501.db2.gz NYGDSUCFNZZJDY-UXLLHSPISA-N 1 0 334.416 2.893 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000595007938 478626839 /nfs/dbraw/zinc/62/68/39/478626839.db2.gz LIDRRRSBUWXTCO-KGLIPLIRSA-N 1 0 338.404 2.697 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000595008662 478627970 /nfs/dbraw/zinc/62/79/70/478627970.db2.gz POUKSMWUCTXGEV-UKRRQHHQSA-N 1 0 330.384 2.858 20 5 EFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595017381 478629506 /nfs/dbraw/zinc/62/95/06/478629506.db2.gz UOLBHDMXUQPJGT-HIFPTAJRSA-N 1 0 335.404 2.559 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN(C)CC(F)(F)F ZINC000595020981 478631361 /nfs/dbraw/zinc/63/13/61/478631361.db2.gz WETNGUJPKACFJJ-SNVBAGLBSA-N 1 0 335.326 2.748 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000595020753 478631616 /nfs/dbraw/zinc/63/16/16/478631616.db2.gz NNWWCUHZJNDOOA-STQMWFEESA-N 1 0 334.372 2.698 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000595018403 478631756 /nfs/dbraw/zinc/63/17/56/478631756.db2.gz NNWWCUHZJNDOOA-CHWSQXEVSA-N 1 0 334.372 2.698 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnccc1-n1cccn1 ZINC000491686266 478631806 /nfs/dbraw/zinc/63/18/06/478631806.db2.gz QDFZVKTZDAHDDT-QPJJXVBHSA-N 1 0 335.323 2.827 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582580518 478632841 /nfs/dbraw/zinc/63/28/41/478632841.db2.gz LCGBUWULTMWGNJ-ILXRZTDVSA-N 1 0 333.432 2.935 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044434 478638403 /nfs/dbraw/zinc/63/84/03/478638403.db2.gz MSMUGMPMAHQNMO-CHWSQXEVSA-N 1 0 335.404 2.513 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000595040324 478639331 /nfs/dbraw/zinc/63/93/31/478639331.db2.gz UAVOQQYZYJJIIZ-RKFFSXRUSA-N 1 0 326.418 2.555 20 5 EFBDRO Cc1cccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000601069079 478639492 /nfs/dbraw/zinc/63/94/92/478639492.db2.gz KJHPZENQJJVVRI-IBGZPJMESA-N 1 0 342.395 2.919 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1OC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068609 478639703 /nfs/dbraw/zinc/63/97/03/478639703.db2.gz IDPBSZNKHMUHHZ-GOSISDBHSA-N 1 0 346.358 2.750 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1OC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601071238 478641754 /nfs/dbraw/zinc/64/17/54/478641754.db2.gz YLCSTHPMRFAIJU-SFHVURJKSA-N 1 0 346.358 2.750 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056856 478644003 /nfs/dbraw/zinc/64/40/03/478644003.db2.gz RTOFWJFIYGILJJ-DZGCQCFKSA-N 1 0 348.447 2.774 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC2(CC[NH2+]C2)CC1 ZINC000582656483 478652785 /nfs/dbraw/zinc/65/27/85/478652785.db2.gz ZGDQMCDUZPIVKE-UHFFFAOYSA-N 1 0 330.310 2.589 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000582660950 478654617 /nfs/dbraw/zinc/65/46/17/478654617.db2.gz NCQAXASGDBEARH-HZPDHXFCSA-N 1 0 342.395 2.654 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595100807 478660624 /nfs/dbraw/zinc/66/06/24/478660624.db2.gz JAOFEKWVYUNTRG-XJKSGUPXSA-N 1 0 349.431 2.507 20 5 EFBDRO COC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000542526751 478660649 /nfs/dbraw/zinc/66/06/49/478660649.db2.gz PRKDPAVDRKTPTQ-NSHDSACASA-N 1 0 348.346 2.965 20 5 EFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000595100778 478660906 /nfs/dbraw/zinc/66/09/06/478660906.db2.gz IVBVZXAGPWNIAV-SWLSCSKDSA-N 1 0 331.416 2.819 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000591888757 478675432 /nfs/dbraw/zinc/67/54/32/478675432.db2.gz AUMLUIKKMQAQCC-AWEZNQCLSA-N 1 0 335.404 2.597 20 5 EFBDRO CCOC(=O)Cc1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000591896680 478681809 /nfs/dbraw/zinc/68/18/09/478681809.db2.gz CKIOPQOCPOLHME-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000591903272 478685475 /nfs/dbraw/zinc/68/54/75/478685475.db2.gz LRWADFCMWUDKAG-HNNXBMFYSA-N 1 0 349.431 2.843 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000601152693 478691391 /nfs/dbraw/zinc/69/13/91/478691391.db2.gz QDEHKWZCGQEKHQ-UHFFFAOYSA-N 1 0 344.440 2.833 20 5 EFBDRO Cc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595220084 478691890 /nfs/dbraw/zinc/69/18/90/478691890.db2.gz DXLIVRVKDVMKCM-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601153452 478693137 /nfs/dbraw/zinc/69/31/37/478693137.db2.gz OCERAUIEDOLUNC-INIZCTEOSA-N 1 0 336.413 2.748 20 5 EFBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595225870 478693879 /nfs/dbraw/zinc/69/38/79/478693879.db2.gz PLSHNEBCLKIUQC-CVEARBPZSA-N 1 0 331.416 2.898 20 5 EFBDRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000582828003 478694231 /nfs/dbraw/zinc/69/42/31/478694231.db2.gz KHJWXPBFTONTBX-QRTARXTBSA-N 1 0 331.416 2.641 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000595269686 478708588 /nfs/dbraw/zinc/70/85/88/478708588.db2.gz PXNXZXXKPYEKNX-ZIAGYGMSSA-N 1 0 331.397 2.532 20 5 EFBDRO [NH3+]C1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCC1 ZINC000595269597 478709131 /nfs/dbraw/zinc/70/91/31/478709131.db2.gz FHUJRADIGLJMJX-UHFFFAOYSA-N 1 0 332.404 2.540 20 5 EFBDRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598218508 478709720 /nfs/dbraw/zinc/70/97/20/478709720.db2.gz GSGAJSFTMVBMPU-ZDUSSCGKSA-N 1 0 347.415 2.740 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000564226333 478710688 /nfs/dbraw/zinc/71/06/88/478710688.db2.gz VCMBEFSARZUEMP-HNNXBMFYSA-N 1 0 341.415 2.732 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598220964 478711644 /nfs/dbraw/zinc/71/16/44/478711644.db2.gz SGOFGXZOBHVZBM-LBPRGKRZSA-N 1 0 335.379 2.871 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598220962 478712094 /nfs/dbraw/zinc/71/20/94/478712094.db2.gz SGOFGXZOBHVZBM-GFCCVEGCSA-N 1 0 335.379 2.871 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184137 478712230 /nfs/dbraw/zinc/71/22/30/478712230.db2.gz HZVGAKLQXUXOCV-MNOVXSKESA-N 1 0 340.221 2.745 20 5 EFBDRO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598221802 478712743 /nfs/dbraw/zinc/71/27/43/478712743.db2.gz XFEOVJDTIXUFEQ-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595288950 478714385 /nfs/dbraw/zinc/71/43/85/478714385.db2.gz BZPUNJZKBKCXJZ-CALCHBBNSA-N 1 0 346.475 2.695 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595292026 478717201 /nfs/dbraw/zinc/71/72/01/478717201.db2.gz ZMXGINVTRNULQX-CALCHBBNSA-N 1 0 346.475 2.695 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595292030 478717230 /nfs/dbraw/zinc/71/72/30/478717230.db2.gz ZMXGINVTRNULQX-IRXDYDNUSA-N 1 0 346.475 2.695 20 5 EFBDRO O=C(CC[NH2+]CCCOC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000564321812 478722892 /nfs/dbraw/zinc/72/28/92/478722892.db2.gz UEGFQQUTECDQKK-UHFFFAOYSA-N 1 0 335.404 2.862 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598262482 478730657 /nfs/dbraw/zinc/73/06/57/478730657.db2.gz KUMAPDODDXOFIB-CYBMUJFWSA-N 1 0 344.415 2.926 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598266428 478733292 /nfs/dbraw/zinc/73/32/92/478733292.db2.gz XVQWLMHFYWHIOI-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000491909167 478733441 /nfs/dbraw/zinc/73/34/41/478733441.db2.gz BDEPNYKGVSGLDX-IYKWBQJMSA-N 1 0 331.416 2.939 20 5 EFBDRO Cc1noc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595329767 478734734 /nfs/dbraw/zinc/73/47/34/478734734.db2.gz IKLHSPJXYFEGFN-CQSZACIVSA-N 1 0 344.415 2.988 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491923279 478739107 /nfs/dbraw/zinc/73/91/07/478739107.db2.gz BKNBWVRUHKXWEO-XVJNWHFHSA-N 1 0 331.416 2.798 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000601245630 478745192 /nfs/dbraw/zinc/74/51/92/478745192.db2.gz JLQBOVRASFZIIY-ZDUSSCGKSA-N 1 0 335.379 2.682 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491936926 478745656 /nfs/dbraw/zinc/74/56/56/478745656.db2.gz HVDSNPAEDAOWJG-DDJMYBDESA-N 1 0 335.379 2.690 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491937838 478747276 /nfs/dbraw/zinc/74/72/76/478747276.db2.gz JMNXZDLTOFNWHY-CXOKCQFOSA-N 1 0 331.416 2.798 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491940350 478747449 /nfs/dbraw/zinc/74/74/49/478747449.db2.gz OZYACLFDVZAFBL-BRLPQQTGSA-N 1 0 349.406 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000564558101 478759980 /nfs/dbraw/zinc/75/99/80/478759980.db2.gz ZTZXOZXBTVQGHD-OAHLLOKOSA-N 1 0 327.384 2.906 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601295392 478768888 /nfs/dbraw/zinc/76/88/88/478768888.db2.gz VONWULQERXSZER-MFKMUULPSA-N 1 0 343.309 2.949 20 5 EFBDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601294494 478769417 /nfs/dbraw/zinc/76/94/17/478769417.db2.gz OWKVCCFRRRCVMF-CABZTGNLSA-N 1 0 329.282 2.641 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000595419262 478770078 /nfs/dbraw/zinc/77/00/78/478770078.db2.gz JKZGMXOBELULBA-LBPRGKRZSA-N 1 0 332.408 2.538 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000598341381 478775815 /nfs/dbraw/zinc/77/58/15/478775815.db2.gz AEBUPTGCISGPJO-LBPRGKRZSA-N 1 0 345.321 2.828 20 5 EFBDRO CS[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000595433927 478779160 /nfs/dbraw/zinc/77/91/60/478779160.db2.gz WWYIIPNUAFYZHK-JKSUJKDBSA-N 1 0 339.436 2.746 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595447721 478789251 /nfs/dbraw/zinc/78/92/51/478789251.db2.gz PRHIXAXTDLPGKR-HNNXBMFYSA-N 1 0 346.431 2.516 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595448050 478791509 /nfs/dbraw/zinc/79/15/09/478791509.db2.gz QVSGOTJLRVJETL-OAHLLOKOSA-N 1 0 346.431 2.801 20 5 EFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595450655 478792764 /nfs/dbraw/zinc/79/27/64/478792764.db2.gz VGTXMGBNMPIKPV-SFHVURJKSA-N 1 0 341.342 2.830 20 5 EFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000595467274 478800841 /nfs/dbraw/zinc/80/08/41/478800841.db2.gz JUTNUKOFYNVULS-UHFFFAOYSA-N 1 0 346.431 2.516 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000564765604 478805226 /nfs/dbraw/zinc/80/52/26/478805226.db2.gz DTYQSAFGMGPVRT-CYBMUJFWSA-N 1 0 333.432 2.964 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000592161155 478805521 /nfs/dbraw/zinc/80/55/21/478805521.db2.gz OIQDARHVKPQPCM-KRWDZBQOSA-N 1 0 334.347 2.826 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000595475352 478807435 /nfs/dbraw/zinc/80/74/35/478807435.db2.gz IPKJITVCAWZLKP-UHFFFAOYSA-N 1 0 346.431 2.516 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595476818 478807863 /nfs/dbraw/zinc/80/78/63/478807863.db2.gz QFSWXMKZYCWSCR-MRXNPFEDSA-N 1 0 346.431 2.516 20 5 EFBDRO CC(=O)c1nc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000595485928 478815309 /nfs/dbraw/zinc/81/53/09/478815309.db2.gz ZJHTWSXMQARGLY-UHFFFAOYSA-N 1 0 330.388 2.546 20 5 EFBDRO Cc1noc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595488731 478816111 /nfs/dbraw/zinc/81/61/11/478816111.db2.gz IMWFWWZKVNOACL-CQSZACIVSA-N 1 0 328.372 2.528 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184032 478817222 /nfs/dbraw/zinc/81/72/22/478817222.db2.gz XRECKWRLOYNLPV-ZIAGYGMSSA-N 1 0 347.415 2.813 20 5 EFBDRO C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592185096 478817690 /nfs/dbraw/zinc/81/76/90/478817690.db2.gz VNILYGZWPUTUOU-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOCC1 ZINC000595498066 478820673 /nfs/dbraw/zinc/82/06/73/478820673.db2.gz AQCNCSOKVOURMI-UHFFFAOYSA-N 1 0 348.321 2.899 20 5 EFBDRO CCOc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505213 478826129 /nfs/dbraw/zinc/82/61/29/478826129.db2.gz QRUIUYZDLLWADI-SFHVURJKSA-N 1 0 333.432 2.911 20 5 EFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(N)=O ZINC000595518751 478830524 /nfs/dbraw/zinc/83/05/24/478830524.db2.gz GFPISQOXVAZQJH-GFCCVEGCSA-N 1 0 337.395 2.848 20 5 EFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)C(N)=O ZINC000595518825 478831075 /nfs/dbraw/zinc/83/10/75/478831075.db2.gz GFPISQOXVAZQJH-LBPRGKRZSA-N 1 0 337.395 2.848 20 5 EFBDRO Cc1noc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595519212 478831165 /nfs/dbraw/zinc/83/11/65/478831165.db2.gz DQTVWQYQEWCYFN-CQSZACIVSA-N 1 0 344.415 2.845 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000572422615 478832730 /nfs/dbraw/zinc/83/27/30/478832730.db2.gz DIGJCANCWDADDD-LRDDRELGSA-N 1 0 342.374 2.985 20 5 EFBDRO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000595527551 478836066 /nfs/dbraw/zinc/83/60/66/478836066.db2.gz VBIPZXHXEGCOCD-NUJGCVRESA-N 1 0 347.459 2.883 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C2CC2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000595533947 478837833 /nfs/dbraw/zinc/83/78/33/478837833.db2.gz QBGRCQCRZYDGRS-UHFFFAOYSA-N 1 0 347.415 2.611 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(CN(C3CC3)C3(CO)CCC3)n2)c1 ZINC000595538294 478840147 /nfs/dbraw/zinc/84/01/47/478840147.db2.gz HNNQHLWOHWCGAH-UHFFFAOYSA-N 1 0 344.371 2.524 20 5 EFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592254089 478842448 /nfs/dbraw/zinc/84/24/48/478842448.db2.gz SWXGARXSIHINKK-CVEARBPZSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592310506 478857478 /nfs/dbraw/zinc/85/74/78/478857478.db2.gz KDWRASZBOWIROH-NSHDSACASA-N 1 0 337.445 2.954 20 5 EFBDRO CC1([NH3+])CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000592331158 478861598 /nfs/dbraw/zinc/86/15/98/478861598.db2.gz LMVMJROZUUFMQO-UHFFFAOYSA-N 1 0 346.412 2.672 20 5 EFBDRO CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592333347 478862766 /nfs/dbraw/zinc/86/27/66/478862766.db2.gz XZVUZWOFTPRIGW-CABZTGNLSA-N 1 0 345.321 2.813 20 5 EFBDRO O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598508820 478869457 /nfs/dbraw/zinc/86/94/57/478869457.db2.gz IEOOTQXIZFWQSC-OAHLLOKOSA-N 1 0 343.358 2.738 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598512400 478873036 /nfs/dbraw/zinc/87/30/36/478873036.db2.gz ZIQYDDFTOOCARL-KRWDZBQOSA-N 1 0 339.395 2.528 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000572592160 478873833 /nfs/dbraw/zinc/87/38/33/478873833.db2.gz DEDMRGKTFAZEQS-TZMCWYRMSA-N 1 0 348.428 2.753 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000595592836 478874755 /nfs/dbraw/zinc/87/47/55/478874755.db2.gz RLUOUJAFWYFJTK-HNNXBMFYSA-N 1 0 348.374 2.778 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595595300 478875119 /nfs/dbraw/zinc/87/51/19/478875119.db2.gz JOHOUEXDCPDQJK-INIZCTEOSA-N 1 0 330.384 2.509 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539053 478886244 /nfs/dbraw/zinc/88/62/44/478886244.db2.gz BPOSCZYHJUEZSX-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000592428691 478892112 /nfs/dbraw/zinc/89/21/12/478892112.db2.gz MCUNKMXANKVOEV-BLLLJJGKSA-N 1 0 347.440 2.871 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558842 478893318 /nfs/dbraw/zinc/89/33/18/478893318.db2.gz FEIYNMVJAAUHNB-AWEZNQCLSA-N 1 0 349.406 2.515 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598569220 478900645 /nfs/dbraw/zinc/90/06/45/478900645.db2.gz BTFLRUJTTPZQNU-RDJZCZTQSA-N 1 0 333.432 2.620 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000598576584 478905870 /nfs/dbraw/zinc/90/58/70/478905870.db2.gz XGJCGJLSEGGTSJ-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO COCCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000507152167 478906751 /nfs/dbraw/zinc/90/67/51/478906751.db2.gz PRPXRTJKZYSYKM-UHFFFAOYSA-N 1 0 332.404 2.848 20 5 EFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000601621627 478911696 /nfs/dbraw/zinc/91/16/96/478911696.db2.gz PCRXIFQOIQCJNE-UHFFFAOYSA-N 1 0 343.383 2.846 20 5 EFBDRO CC(C)c1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000595659228 478921424 /nfs/dbraw/zinc/92/14/24/478921424.db2.gz YJLAPEKJQLGVIU-UHFFFAOYSA-N 1 0 341.411 2.938 20 5 EFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595670666 478925627 /nfs/dbraw/zinc/92/56/27/478925627.db2.gz HVQLMQMOOAEFGS-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCCCC2 ZINC000565170713 478934827 /nfs/dbraw/zinc/93/48/27/478934827.db2.gz JXWJUZCFMGFTQB-UHFFFAOYSA-N 1 0 343.431 2.921 20 5 EFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC1 ZINC000598632272 478934996 /nfs/dbraw/zinc/93/49/96/478934996.db2.gz CSMWGLSAKAJVHB-UHFFFAOYSA-N 1 0 342.399 2.545 20 5 EFBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595685682 478935630 /nfs/dbraw/zinc/93/56/30/478935630.db2.gz YUFJFPGYHGYRLA-GOSISDBHSA-N 1 0 346.383 2.960 20 5 EFBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000545474681 478938860 /nfs/dbraw/zinc/93/88/60/478938860.db2.gz BSGGPUKGJDDZHM-HOCLYGCPSA-N 1 0 343.431 2.984 20 5 EFBDRO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000583787026 478940101 /nfs/dbraw/zinc/94/01/01/478940101.db2.gz SVKOSNPRKZCXBE-YOEHRIQHSA-N 1 0 331.416 2.785 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601670397 478941907 /nfs/dbraw/zinc/94/19/07/478941907.db2.gz DIBPIIGSJKAHAR-GFCCVEGCSA-N 1 0 335.379 2.871 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567193 478943344 /nfs/dbraw/zinc/94/33/44/478943344.db2.gz ADPOCAAMKNXHQC-GFCCVEGCSA-N 1 0 335.429 2.721 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592568295 478944320 /nfs/dbraw/zinc/94/43/20/478944320.db2.gz MHGNPDGTDNSACO-GFCCVEGCSA-N 1 0 329.356 2.746 20 5 EFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592568982 478944480 /nfs/dbraw/zinc/94/44/80/478944480.db2.gz TXUSYIZWNSYNKY-GFCCVEGCSA-N 1 0 340.383 2.548 20 5 EFBDRO CC1(C)CC[C@H](CO)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000598647446 478944798 /nfs/dbraw/zinc/94/47/98/478944798.db2.gz MHLPMFFOFBMWRN-CQSZACIVSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592568185 478944832 /nfs/dbraw/zinc/94/48/32/478944832.db2.gz AQXODKAGNGQYJJ-ZJUUUORDSA-N 1 0 334.401 2.574 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CCO ZINC000595704837 478948302 /nfs/dbraw/zinc/94/83/02/478948302.db2.gz WGHQQEQVTSGQES-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000595706042 478950015 /nfs/dbraw/zinc/95/00/15/478950015.db2.gz WTYHEWZBADMDJS-XJKSGUPXSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000565217517 478954567 /nfs/dbraw/zinc/95/45/67/478954567.db2.gz LZWOEVSQWVCESN-GUYCJALGSA-N 1 0 339.395 2.877 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668257 478955905 /nfs/dbraw/zinc/95/59/05/478955905.db2.gz RHLBABUCIXSOGF-BZNIZROVSA-N 1 0 335.429 2.660 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000572957444 478960242 /nfs/dbraw/zinc/96/02/42/478960242.db2.gz BUMNPAALYNTWBG-OAHLLOKOSA-N 1 0 335.404 2.731 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC2 ZINC000492390836 478965709 /nfs/dbraw/zinc/96/57/09/478965709.db2.gz KCJUIXDBZAPYGS-YVMONPNESA-N 1 0 329.400 2.695 20 5 EFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000595754151 478976784 /nfs/dbraw/zinc/97/67/84/478976784.db2.gz VNNXYTWPZNGCBF-AWEZNQCLSA-N 1 0 334.351 2.776 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822288 479016800 /nfs/dbraw/zinc/01/68/00/479016800.db2.gz PNTVTCDEAOACIV-UHFFFAOYSA-N 1 0 332.400 2.865 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000514601090 479032309 /nfs/dbraw/zinc/03/23/09/479032309.db2.gz ZIRNZHZNUNUZBO-GDBMZVCRSA-N 1 0 347.415 2.814 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)c1 ZINC000601849874 479038841 /nfs/dbraw/zinc/03/88/41/479038841.db2.gz LDXYXHOKUNMNSF-HNNXBMFYSA-N 1 0 345.424 2.969 20 5 EFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000573365312 479049537 /nfs/dbraw/zinc/04/95/37/479049537.db2.gz UMNJHUBBWGYNFG-CYBMUJFWSA-N 1 0 333.388 2.567 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1=CCSC1 ZINC000595887596 479053312 /nfs/dbraw/zinc/05/33/12/479053312.db2.gz GZQGWTXETCIEHR-UHFFFAOYSA-N 1 0 335.429 2.837 20 5 EFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565654568 479054192 /nfs/dbraw/zinc/05/41/92/479054192.db2.gz MHXDOSYPTGAOEB-ZIAGYGMSSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000493559565 479056749 /nfs/dbraw/zinc/05/67/49/479056749.db2.gz SDLNRPDNAGPQOU-HJHHMULASA-N 1 0 329.400 2.599 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000493560797 479057906 /nfs/dbraw/zinc/05/79/06/479057906.db2.gz SBDCKIHYEXTLTN-GGVYXGFKSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592829788 479062523 /nfs/dbraw/zinc/06/25/23/479062523.db2.gz YZUIWHUTOKLVKR-YESZJQIVSA-N 1 0 331.416 2.641 20 5 EFBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](C)C1 ZINC000592830925 479064713 /nfs/dbraw/zinc/06/47/13/479064713.db2.gz IGBPJMWFQUTEHS-AWEZNQCLSA-N 1 0 331.372 2.897 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CC1(C)C ZINC000595911462 479067004 /nfs/dbraw/zinc/06/70/04/479067004.db2.gz WOISVLTWUSTBFZ-LBPRGKRZSA-N 1 0 335.404 2.910 20 5 EFBDRO Cc1cc(NC[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573468881 479075719 /nfs/dbraw/zinc/07/57/19/479075719.db2.gz UJLORHFAWMXXNB-DOMZBBRYSA-N 1 0 342.399 2.867 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000598914344 479083749 /nfs/dbraw/zinc/08/37/49/479083749.db2.gz AVAQVAMUJBUMDA-GJZGRUSLSA-N 1 0 336.367 2.872 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916255 479084480 /nfs/dbraw/zinc/08/44/80/479084480.db2.gz UYNSVPMJABVXQR-NOZJJQNGSA-N 1 0 326.784 2.982 20 5 EFBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000598916250 479084498 /nfs/dbraw/zinc/08/44/98/479084498.db2.gz UUNPHPIDAXMZDD-BXKDBHETSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914537 479084820 /nfs/dbraw/zinc/08/48/20/479084820.db2.gz GZAXFWDFGRPRQD-ZJUUUORDSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914536 479084950 /nfs/dbraw/zinc/08/49/50/479084950.db2.gz GZAXFWDFGRPRQD-VHSXEESVSA-N 1 0 326.784 2.839 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915427 479085193 /nfs/dbraw/zinc/08/51/93/479085193.db2.gz LTTAGAMLXVPHIX-SECBINFHSA-N 1 0 326.784 2.839 20 5 EFBDRO CC(C)[C@H]([NH3+])CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595980064 479087257 /nfs/dbraw/zinc/08/72/57/479087257.db2.gz DFHWLFMEBBGXHY-GFCCVEGCSA-N 1 0 343.811 2.507 20 5 EFBDRO C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1CCC[NH3+] ZINC000601985376 479111822 /nfs/dbraw/zinc/11/18/22/479111822.db2.gz UIADNYZBSXUAGB-ZYHUDNBSSA-N 1 0 335.433 2.943 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000547710549 479118860 /nfs/dbraw/zinc/11/88/60/479118860.db2.gz ABDQMNOTOKPPSU-AWEZNQCLSA-N 1 0 349.434 2.753 20 5 EFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548039801 479122579 /nfs/dbraw/zinc/12/25/79/479122579.db2.gz CWMLTKYDYNCQJQ-CQSZACIVSA-N 1 0 349.434 2.753 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596081083 479126863 /nfs/dbraw/zinc/12/68/63/479126863.db2.gz CWIYSCLDSVZEJU-VNHYZAJKSA-N 1 0 346.431 2.535 20 5 EFBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596082161 479128221 /nfs/dbraw/zinc/12/82/21/479128221.db2.gz MQJWHWGMRDCGNL-LBPRGKRZSA-N 1 0 326.466 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000596084582 479129596 /nfs/dbraw/zinc/12/95/96/479129596.db2.gz CFGZSYYYUJHCDI-UHFFFAOYSA-N 1 0 347.337 2.872 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)cc1 ZINC000599021894 479130112 /nfs/dbraw/zinc/13/01/12/479130112.db2.gz FNWKALROWLDNBZ-GOSISDBHSA-N 1 0 330.384 2.652 20 5 EFBDRO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)([NH+](C)C)C1 ZINC000596087017 479130731 /nfs/dbraw/zinc/13/07/31/479130731.db2.gz HENCZXINENWTIF-YVEFUNNKSA-N 1 0 334.420 2.616 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC000596089636 479131365 /nfs/dbraw/zinc/13/13/65/479131365.db2.gz RCSPZDOFALWGGC-UHFFFAOYSA-N 1 0 342.399 2.758 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596093132 479134039 /nfs/dbraw/zinc/13/40/39/479134039.db2.gz SBFQXCOXHCMXGO-OAHLLOKOSA-N 1 0 346.387 2.782 20 5 EFBDRO NC(=O)c1cc(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596095545 479135384 /nfs/dbraw/zinc/13/53/84/479135384.db2.gz RDFZPLJKRTWIBS-UHFFFAOYSA-N 1 0 346.431 2.760 20 5 EFBDRO CCOC(=O)c1cc(N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000599045636 479137224 /nfs/dbraw/zinc/13/72/24/479137224.db2.gz YUTYKYICNKJOQU-GFCCVEGCSA-N 1 0 335.404 2.914 20 5 EFBDRO Cc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596100950 479137581 /nfs/dbraw/zinc/13/75/81/479137581.db2.gz FCMMGHXCKHYSHT-UHFFFAOYSA-N 1 0 338.477 2.935 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596103951 479140753 /nfs/dbraw/zinc/14/07/53/479140753.db2.gz IEXUJFWCJRRGGN-JTQLQIEISA-N 1 0 328.210 2.888 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)c1 ZINC000596113278 479147158 /nfs/dbraw/zinc/14/71/58/479147158.db2.gz SKMVXELHKXNSHW-UHFFFAOYSA-N 1 0 334.401 2.695 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593056935 479149162 /nfs/dbraw/zinc/14/91/62/479149162.db2.gz BMGWDODWSQFXEK-HOCLYGCPSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1ncccc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599073204 479149166 /nfs/dbraw/zinc/14/91/66/479149166.db2.gz MQSUKPRGCPSQPW-GFCCVEGCSA-N 1 0 328.372 2.805 20 5 EFBDRO Cc1ncccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599074492 479150660 /nfs/dbraw/zinc/15/06/60/479150660.db2.gz SSMYNDOJMWZAPQ-LBPRGKRZSA-N 1 0 328.372 2.805 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063181 479151756 /nfs/dbraw/zinc/15/17/56/479151756.db2.gz RCFZKVGQNPSLIO-JSGCOSHPSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)CO1 ZINC000593063269 479152175 /nfs/dbraw/zinc/15/21/75/479152175.db2.gz SYMNKPKNOPYHDT-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596126013 479152575 /nfs/dbraw/zinc/15/25/75/479152575.db2.gz HEOPCSTVXQSZDH-JTQLQIEISA-N 1 0 328.210 2.745 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593063694 479152734 /nfs/dbraw/zinc/15/27/34/479152734.db2.gz VBRJDXRWHBBMPC-HIFRSBDPSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)CO1 ZINC000593063696 479153658 /nfs/dbraw/zinc/15/36/58/479153658.db2.gz VBRJDXRWHBBMPC-UKRRQHHQSA-N 1 0 335.404 2.731 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573833921 479154232 /nfs/dbraw/zinc/15/42/32/479154232.db2.gz CQKWYMJQPPNRBX-SKDRFNHKSA-N 1 0 345.321 2.861 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCN(C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569686035 479155058 /nfs/dbraw/zinc/15/50/58/479155058.db2.gz FUKRQBWTTSCMJF-AWEZNQCLSA-N 1 0 346.431 2.530 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599095106 479158956 /nfs/dbraw/zinc/15/89/56/479158956.db2.gz RLKXDMATNSDJAB-LLVKDONJSA-N 1 0 331.363 2.841 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCSc1ccccc1 ZINC000569762249 479168525 /nfs/dbraw/zinc/16/85/25/479168525.db2.gz KMPINTSEVIMVCZ-AWEZNQCLSA-N 1 0 348.424 2.716 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584540233 479173015 /nfs/dbraw/zinc/17/30/15/479173015.db2.gz RIQQNFABPXTUPA-PVUWLOKVSA-N 1 0 342.399 2.826 20 5 EFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602106625 479180025 /nfs/dbraw/zinc/18/00/25/479180025.db2.gz DRRZKNBXFZKJAY-GOEBONIOSA-N 1 0 335.429 2.653 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000610765521 479181416 /nfs/dbraw/zinc/18/14/16/479181416.db2.gz DDIRFERRBHSCDJ-SFHVURJKSA-N 1 0 327.384 2.823 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189904 479188871 /nfs/dbraw/zinc/18/88/71/479188871.db2.gz NDJLCWKPZPPVBD-CHWSQXEVSA-N 1 0 346.431 2.759 20 5 EFBDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000573988063 479189945 /nfs/dbraw/zinc/18/99/45/479189945.db2.gz XSVTXKYUSRHKFV-XHSDSOJGSA-N 1 0 335.452 2.739 20 5 EFBDRO C[NH+](C)CC1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602156563 479205454 /nfs/dbraw/zinc/20/54/54/479205454.db2.gz HBVFJDCLKPSZEW-HNNXBMFYSA-N 1 0 331.416 2.643 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000596216733 479206016 /nfs/dbraw/zinc/20/60/16/479206016.db2.gz LKKNWEYFCFSWER-PXAZEXFGSA-N 1 0 342.399 2.797 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242145 479219979 /nfs/dbraw/zinc/21/99/79/479219979.db2.gz NHEPYOJCTULKJU-CQSZACIVSA-N 1 0 340.221 2.889 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000596256646 479226674 /nfs/dbraw/zinc/22/66/74/479226674.db2.gz FEBPRKNBYGSNDY-LBPRGKRZSA-N 1 0 329.347 2.791 20 5 EFBDRO C[NH+](C)Cc1ccc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000574151864 479228512 /nfs/dbraw/zinc/22/85/12/479228512.db2.gz VBCGSAULAYOEST-KRWDZBQOSA-N 1 0 345.399 2.508 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000593186930 479228967 /nfs/dbraw/zinc/22/89/67/479228967.db2.gz BKIJGONLOBTGRH-IJLUTSLNSA-N 1 0 337.445 2.870 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000593189639 479230132 /nfs/dbraw/zinc/23/01/32/479230132.db2.gz WNBMKHLTFFSANT-JHJVBQTASA-N 1 0 337.445 2.626 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593189260 479230208 /nfs/dbraw/zinc/23/02/08/479230208.db2.gz ZIYFAJCYNNXZND-AXFHLTTASA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593188231 479231058 /nfs/dbraw/zinc/23/10/58/479231058.db2.gz ZDAVJITUFIDNCR-JHJVBQTASA-N 1 0 346.431 2.722 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593190525 479231483 /nfs/dbraw/zinc/23/14/83/479231483.db2.gz MFZQFBFUPLRLBP-KSWINOGPSA-N 1 0 331.416 2.638 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596267141 479231638 /nfs/dbraw/zinc/23/16/38/479231638.db2.gz XBZHYXXARNACCC-TXEJJXNPSA-N 1 0 327.331 2.808 20 5 EFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574203944 479240673 /nfs/dbraw/zinc/24/06/73/479240673.db2.gz IQYVPLAZPQZIMF-KBPBESRZSA-N 1 0 336.436 2.630 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610965068 479245086 /nfs/dbraw/zinc/24/50/86/479245086.db2.gz SKJXTDODTGXYSG-OKILXGFUSA-N 1 0 331.416 2.959 20 5 EFBDRO COC(=O)CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599303358 479245867 /nfs/dbraw/zinc/24/58/67/479245867.db2.gz OGQIMMPCJWSGFK-UHFFFAOYSA-N 1 0 336.388 2.781 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000596337400 479258679 /nfs/dbraw/zinc/25/86/79/479258679.db2.gz WNJMGRFHUCRPRW-GFCCVEGCSA-N 1 0 332.404 2.764 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CC1 ZINC000602295257 479273492 /nfs/dbraw/zinc/27/34/92/479273492.db2.gz UQKADZUEKVERTL-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611082423 479279132 /nfs/dbraw/zinc/27/91/32/479279132.db2.gz DDVLIQQFPGFNSG-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000574429776 479285954 /nfs/dbraw/zinc/28/59/54/479285954.db2.gz RDTGOANOQYLMON-AWEZNQCLSA-N 1 0 336.775 2.778 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000557545779 479288179 /nfs/dbraw/zinc/28/81/79/479288179.db2.gz KRICBECUXSIWJH-CYBMUJFWSA-N 1 0 335.404 2.834 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cn1 ZINC000585117554 479292069 /nfs/dbraw/zinc/29/20/69/479292069.db2.gz LFVPTGOXHDNDMO-NVXWUHKLSA-N 1 0 346.431 2.506 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C2(CO)CCCC2)c1 ZINC000599431278 479294599 /nfs/dbraw/zinc/29/45/99/479294599.db2.gz CTJAVBNCPCXKEY-UHFFFAOYSA-N 1 0 344.415 2.599 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596439191 479295968 /nfs/dbraw/zinc/29/59/68/479295968.db2.gz CLUMSARYVTVCET-NSHDSACASA-N 1 0 338.383 2.976 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596442983 479297258 /nfs/dbraw/zinc/29/72/58/479297258.db2.gz WBNYVSNAVFDWOU-UHFFFAOYSA-N 1 0 327.388 2.709 20 5 EFBDRO CC[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000611172084 479301387 /nfs/dbraw/zinc/30/13/87/479301387.db2.gz QIPHRPMBBXKITK-ZDUSSCGKSA-N 1 0 330.388 2.776 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000596461809 479304715 /nfs/dbraw/zinc/30/47/15/479304715.db2.gz MILYSVAALNMXJI-HNNXBMFYSA-N 1 0 344.390 2.882 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000611196228 479308188 /nfs/dbraw/zinc/30/81/88/479308188.db2.gz QDRGEAKRPCLCFR-CYBMUJFWSA-N 1 0 342.399 2.634 20 5 EFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603220368 479308770 /nfs/dbraw/zinc/30/87/70/479308770.db2.gz UERGNNLHTVUSQG-AWEZNQCLSA-N 1 0 329.404 2.824 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603224576 479310445 /nfs/dbraw/zinc/31/04/45/479310445.db2.gz QXNXNCNBVHKRMD-UHFFFAOYSA-N 1 0 333.367 2.796 20 5 EFBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000599511850 479317513 /nfs/dbraw/zinc/31/75/13/479317513.db2.gz BYXNIOVYEBYQFN-YRGRVCCFSA-N 1 0 344.358 2.558 20 5 EFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000596499886 479317692 /nfs/dbraw/zinc/31/76/92/479317692.db2.gz WRIIUTRYIFSUFM-CQSZACIVSA-N 1 0 332.404 2.838 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248453 479322618 /nfs/dbraw/zinc/32/26/18/479322618.db2.gz GDCPUWUUPLBTQM-ZIAGYGMSSA-N 1 0 338.404 2.697 20 5 EFBDRO CC1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593391581 479323494 /nfs/dbraw/zinc/32/34/94/479323494.db2.gz NWWXKNCLWUOFMI-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000596514669 479324415 /nfs/dbraw/zinc/32/44/15/479324415.db2.gz XTZATFXFVOWLGE-KRWDZBQOSA-N 1 0 340.383 2.991 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611254051 479324686 /nfs/dbraw/zinc/32/46/86/479324686.db2.gz KFXRYXCSIAKSTJ-NTSMAEHXSA-N 1 0 345.443 2.795 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000593413734 479329392 /nfs/dbraw/zinc/32/93/92/479329392.db2.gz VXYUAAAJHKBMSS-CYBMUJFWSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000593413735 479329631 /nfs/dbraw/zinc/32/96/31/479329631.db2.gz VXYUAAAJHKBMSS-ZDUSSCGKSA-N 1 0 337.395 2.515 20 5 EFBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000574689076 479330434 /nfs/dbraw/zinc/33/04/34/479330434.db2.gz QUKQAHYIZINTOU-CABCVRRESA-N 1 0 333.432 2.937 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611272328 479332471 /nfs/dbraw/zinc/33/24/71/479332471.db2.gz XDGLRUMPFKYPHH-UHFFFAOYSA-N 1 0 335.448 2.607 20 5 EFBDRO C[C@@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000602440661 479332617 /nfs/dbraw/zinc/33/26/17/479332617.db2.gz AENRUVYMBRRSSL-CYBMUJFWSA-N 1 0 339.395 2.660 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558256 479338763 /nfs/dbraw/zinc/33/87/63/479338763.db2.gz PMBLQXDAPWRYNU-OAHLLOKOSA-N 1 0 329.404 2.806 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@@H+]3Cc3ccccc3)c21 ZINC000596559474 479339184 /nfs/dbraw/zinc/33/91/84/479339184.db2.gz ZHLKETYVBZZOFL-OAHLLOKOSA-N 1 0 349.394 2.646 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4nccnc4c3)CC2)c1 ZINC000602453282 479340477 /nfs/dbraw/zinc/34/04/77/479340477.db2.gz JWOHWMXAUNNAFS-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602452536 479341084 /nfs/dbraw/zinc/34/10/84/479341084.db2.gz CXVSIJJBOQWVKA-SECBINFHSA-N 1 0 348.266 2.945 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574770988 479346530 /nfs/dbraw/zinc/34/65/30/479346530.db2.gz NMWMJAKZPYRDQX-QGZVFWFLSA-N 1 0 339.395 2.910 20 5 EFBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611314636 479346539 /nfs/dbraw/zinc/34/65/39/479346539.db2.gz WRNNQMVGFVLYHD-HIFRSBDPSA-N 1 0 336.388 2.659 20 5 EFBDRO CCC1(O)CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611327573 479349687 /nfs/dbraw/zinc/34/96/87/479349687.db2.gz KAVARDARUOSVND-MJJDPTRDSA-N 1 0 349.431 2.985 20 5 EFBDRO CCC1(O)CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000611327768 479349749 /nfs/dbraw/zinc/34/97/49/479349749.db2.gz SVWPVNRNURWHTE-WRSVWVKZSA-N 1 0 349.431 2.985 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCCCC1 ZINC000611336230 479350804 /nfs/dbraw/zinc/35/08/04/479350804.db2.gz CGZPOJJVOQRKOQ-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO O=C1[C@@H]([NH+]2CCC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000586783083 479352926 /nfs/dbraw/zinc/35/29/26/479352926.db2.gz VCHIHTSDVFVNRJ-INIZCTEOSA-N 1 0 329.400 2.966 20 5 EFBDRO COc1cccc(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471384 479353025 /nfs/dbraw/zinc/35/30/25/479353025.db2.gz CMPJDHRRPOWAMC-AWEZNQCLSA-N 1 0 342.399 2.993 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000586790702 479355163 /nfs/dbraw/zinc/35/51/63/479355163.db2.gz WQDWJVADHNYLPX-UKPHBRMFSA-N 1 0 344.415 2.558 20 5 EFBDRO CC[NH+]1CCC(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593487800 479363914 /nfs/dbraw/zinc/36/39/14/479363914.db2.gz XCPKEVQNRVBRHP-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599641108 479364407 /nfs/dbraw/zinc/36/44/07/479364407.db2.gz OBYMPJZYNAUVOX-DOTOQJQBSA-N 1 0 332.404 2.510 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c(O)cccc2C1 ZINC000599644924 479366217 /nfs/dbraw/zinc/36/62/17/479366217.db2.gz AZXCDVGJBCJFBO-LBPRGKRZSA-N 1 0 341.367 2.686 20 5 EFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491659 479367133 /nfs/dbraw/zinc/36/71/33/479367133.db2.gz QRTDGAMFJSVMMO-VIFPVBQESA-N 1 0 344.209 2.605 20 5 EFBDRO CN1CC[NH+](Cc2ccccc2-c2cc(CO)cc([N+](=O)[O-])c2)CC1 ZINC000596638800 479367341 /nfs/dbraw/zinc/36/73/41/479367341.db2.gz CZUBDBLYMWJZOJ-UHFFFAOYSA-N 1 0 341.411 2.502 20 5 EFBDRO CC(=O)c1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000587029601 479370043 /nfs/dbraw/zinc/37/00/43/479370043.db2.gz DUWYIUIFSFJPOF-UHFFFAOYSA-N 1 0 326.356 2.519 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000587313238 479370977 /nfs/dbraw/zinc/37/09/77/479370977.db2.gz DHBVLKRMKHTSBX-AWEZNQCLSA-N 1 0 347.415 2.754 20 5 EFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000611413619 479372004 /nfs/dbraw/zinc/37/20/04/479372004.db2.gz IILGMQMRIXFYOS-OCCSQVGLSA-N 1 0 325.434 2.836 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000587630433 479372789 /nfs/dbraw/zinc/37/27/89/479372789.db2.gz KANKPHQKXVFFSM-CYBMUJFWSA-N 1 0 335.404 2.657 20 5 EFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602508201 479373089 /nfs/dbraw/zinc/37/30/89/479373089.db2.gz ADYPNYMRXHXUDV-NSHDSACASA-N 1 0 329.360 2.667 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000603404438 479374223 /nfs/dbraw/zinc/37/42/23/479374223.db2.gz ZGSGJLSGPOSXJN-LLVKDONJSA-N 1 0 325.434 2.654 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000603407474 479374871 /nfs/dbraw/zinc/37/48/71/479374871.db2.gz UGYMMOUGBITBGW-UHFFFAOYSA-N 1 0 349.431 2.942 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOCC(F)(F)F)nc2c1 ZINC000602509273 479375197 /nfs/dbraw/zinc/37/51/97/479375197.db2.gz QRLCITFXYDZPCP-UHFFFAOYSA-N 1 0 333.266 2.795 20 5 EFBDRO Cc1csc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602509355 479375504 /nfs/dbraw/zinc/37/55/04/479375504.db2.gz FBWQIJFZXFDTPZ-UHFFFAOYSA-N 1 0 347.444 2.556 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000603407856 479375868 /nfs/dbraw/zinc/37/58/68/479375868.db2.gz HWVOBABYGZFRJS-UHFFFAOYSA-N 1 0 341.358 2.928 20 5 EFBDRO Cc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000602512488 479375988 /nfs/dbraw/zinc/37/59/88/479375988.db2.gz WAKOYAAKHLZBJR-UHFFFAOYSA-N 1 0 347.444 2.556 20 5 EFBDRO CNc1ccc(C(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603412985 479376675 /nfs/dbraw/zinc/37/66/75/479376675.db2.gz IVIFBNPMFDNTBM-UHFFFAOYSA-N 1 0 348.447 2.975 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000603413028 479377194 /nfs/dbraw/zinc/37/71/94/479377194.db2.gz JQXIQUUQYKEXGX-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO CC(C)CC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602519872 479379372 /nfs/dbraw/zinc/37/93/72/479379372.db2.gz ABQGWMSGVRSYEN-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO O=C(NC1CC1)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602528165 479383102 /nfs/dbraw/zinc/38/31/02/479383102.db2.gz NMUYBOKGRSENLP-UHFFFAOYSA-N 1 0 339.395 2.819 20 5 EFBDRO COC(=O)c1csc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000602532228 479383812 /nfs/dbraw/zinc/38/38/12/479383812.db2.gz RXYYAAZQOWPMRO-UHFFFAOYSA-N 1 0 336.369 2.741 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000602535731 479387111 /nfs/dbraw/zinc/38/71/11/479387111.db2.gz QTPGQYCSYICADO-LLVKDONJSA-N 1 0 348.321 2.756 20 5 EFBDRO COC[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000599683263 479388791 /nfs/dbraw/zinc/38/87/91/479388791.db2.gz PTEIKXWCQRFFEO-YOEHRIQHSA-N 1 0 344.415 2.816 20 5 EFBDRO CCC(O)(CC)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599683083 479389016 /nfs/dbraw/zinc/38/90/16/479389016.db2.gz UGTMYZNVQZWKEE-UHFFFAOYSA-N 1 0 334.376 2.628 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602541174 479389127 /nfs/dbraw/zinc/38/91/27/479389127.db2.gz NKWUZZNXPVANOW-RYUDHWBXSA-N 1 0 345.321 2.503 20 5 EFBDRO CC(C)c1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 ZINC000602546441 479391498 /nfs/dbraw/zinc/39/14/98/479391498.db2.gz SMLATTXWQCNYBM-UHFFFAOYSA-N 1 0 345.403 2.860 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588085496 479391672 /nfs/dbraw/zinc/39/16/72/479391672.db2.gz PSHDPKQNPCMTMT-BLLLJJGKSA-N 1 0 327.388 2.601 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588085498 479391832 /nfs/dbraw/zinc/39/18/32/479391832.db2.gz PSHDPKQNPCMTMT-MLGOLLRUSA-N 1 0 327.388 2.601 20 5 EFBDRO C[C@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602550540 479392401 /nfs/dbraw/zinc/39/24/01/479392401.db2.gz KHIDMWVHHLOSLB-LLVKDONJSA-N 1 0 335.223 2.935 20 5 EFBDRO Cc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602547734 479393036 /nfs/dbraw/zinc/39/30/36/479393036.db2.gz NLZICXLVQJNYTI-UHFFFAOYSA-N 1 0 333.417 2.513 20 5 EFBDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555139 479395762 /nfs/dbraw/zinc/39/57/62/479395762.db2.gz COPJFYHRYYMLHY-LLVKDONJSA-N 1 0 338.351 2.817 20 5 EFBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602558990 479397410 /nfs/dbraw/zinc/39/74/10/479397410.db2.gz RQZDBAZRVGUVSI-JGVFFNPUSA-N 1 0 335.223 2.933 20 5 EFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccncc1 ZINC000602564201 479399672 /nfs/dbraw/zinc/39/96/72/479399672.db2.gz QJCNJJGXEKYVMP-AWEZNQCLSA-N 1 0 341.415 2.747 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)nc2c1 ZINC000602566670 479400269 /nfs/dbraw/zinc/40/02/69/479400269.db2.gz AKWRLOGXOWLHOP-ZBEGNZNMSA-N 1 0 349.412 2.880 20 5 EFBDRO COc1cc(C[NH2+]CCSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519118 479403510 /nfs/dbraw/zinc/40/35/10/479403510.db2.gz WVPMXVAIJLTGTD-UHFFFAOYSA-N 1 0 336.360 2.700 20 5 EFBDRO CC[C@H](CCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574641 479405150 /nfs/dbraw/zinc/40/51/50/479405150.db2.gz XOPQWFHZSYXGMI-MRVPVSSYSA-N 1 0 337.239 2.917 20 5 EFBDRO COc1cc(OC)cc(OCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602574742 479404666 /nfs/dbraw/zinc/40/46/66/479404666.db2.gz ZDNWIBIEKKVGPQ-UHFFFAOYSA-N 1 0 346.383 2.823 20 5 EFBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000588215943 479406913 /nfs/dbraw/zinc/40/69/13/479406913.db2.gz UNBRQYNCHQGKON-MRXNPFEDSA-N 1 0 349.431 2.602 20 5 EFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000603586125 479408769 /nfs/dbraw/zinc/40/87/69/479408769.db2.gz OKZCJTLUKMSYIM-KRWDZBQOSA-N 1 0 344.411 2.902 20 5 EFBDRO COc1ccc(COCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602581527 479409083 /nfs/dbraw/zinc/40/90/83/479409083.db2.gz JQLYLXKLQQKIKU-UHFFFAOYSA-N 1 0 330.384 2.952 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000611539852 479409172 /nfs/dbraw/zinc/40/91/72/479409172.db2.gz MEIBGIGZODZEEC-UHFFFAOYSA-N 1 0 339.461 2.985 20 5 EFBDRO O=[N+]([O-])c1sccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611539853 479409279 /nfs/dbraw/zinc/40/92/79/479409279.db2.gz MGAJQOAUQGTTHF-UHFFFAOYSA-N 1 0 339.461 2.985 20 5 EFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603589844 479410459 /nfs/dbraw/zinc/41/04/59/479410459.db2.gz IVNLEWFXFVSAHJ-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCCO1 ZINC000602587088 479412866 /nfs/dbraw/zinc/41/28/66/479412866.db2.gz ONYCBELBWIMROY-XJKSGUPXSA-N 1 0 334.420 2.506 20 5 EFBDRO NC(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000602594256 479414617 /nfs/dbraw/zinc/41/46/17/479414617.db2.gz PULOPRUMVLOIOY-UHFFFAOYSA-N 1 0 345.321 2.749 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cn1 ZINC000602597897 479417345 /nfs/dbraw/zinc/41/73/45/479417345.db2.gz UAAJPCRSSQPERU-INIZCTEOSA-N 1 0 334.420 2.507 20 5 EFBDRO C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602606348 479420175 /nfs/dbraw/zinc/42/01/75/479420175.db2.gz CVDQQSBUBKNRGP-GJZGRUSLSA-N 1 0 348.447 2.753 20 5 EFBDRO COC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000602615201 479424140 /nfs/dbraw/zinc/42/41/40/479424140.db2.gz INQPEFNJXDZVFZ-UHFFFAOYSA-N 1 0 348.447 2.898 20 5 EFBDRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000593722119 479434236 /nfs/dbraw/zinc/43/42/36/479434236.db2.gz UFSVIXQUNQRRRZ-ZDUSSCGKSA-N 1 0 349.406 2.609 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593720958 479434416 /nfs/dbraw/zinc/43/44/16/479434416.db2.gz NMXWLSFFWNCOEM-DYVFJYSZSA-N 1 0 338.404 2.576 20 5 EFBDRO Cc1nccc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834186 479434677 /nfs/dbraw/zinc/43/46/77/479434677.db2.gz KLZHDFIEEGASPI-OAHLLOKOSA-N 1 0 342.399 2.952 20 5 EFBDRO O=C1C[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000593722644 479434746 /nfs/dbraw/zinc/43/47/46/479434746.db2.gz JHUZISAKTTUJKC-UGSOOPFHSA-N 1 0 343.427 2.963 20 5 EFBDRO COc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000603837190 479435163 /nfs/dbraw/zinc/43/51/63/479435163.db2.gz CZCUFLYKWXNPGT-AWEZNQCLSA-N 1 0 346.387 2.722 20 5 EFBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000602630008 479435519 /nfs/dbraw/zinc/43/55/19/479435519.db2.gz RSBBGMHOLULRPD-UHFFFAOYSA-N 1 0 348.321 2.587 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000588821877 479444194 /nfs/dbraw/zinc/44/41/94/479444194.db2.gz OMIRVPUDKAAAEG-INIZCTEOSA-N 1 0 343.431 2.830 20 5 EFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000614583883 479449542 /nfs/dbraw/zinc/44/95/42/479449542.db2.gz QWQQHVVRVDJOFM-GOSISDBHSA-N 1 0 341.342 2.830 20 5 EFBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650746 479449660 /nfs/dbraw/zinc/44/96/60/479449660.db2.gz GXEYFHGLQGOVKS-JOCHJYFZSA-N 1 0 336.335 2.614 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705949 479450971 /nfs/dbraw/zinc/45/09/71/479450971.db2.gz CTKUIYSOILLGDM-OCCSQVGLSA-N 1 0 327.388 2.601 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611706575 479451714 /nfs/dbraw/zinc/45/17/14/479451714.db2.gz KNMRPATXUGLTMK-OLZOCXBDSA-N 1 0 329.404 2.847 20 5 EFBDRO COCCc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602659990 479455919 /nfs/dbraw/zinc/45/59/19/479455919.db2.gz ZVDKYILFHNYBTQ-UHFFFAOYSA-N 1 0 335.429 2.915 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cn1 ZINC000602663773 479459106 /nfs/dbraw/zinc/45/91/06/479459106.db2.gz VXDDRPFTTUVRHE-ZDUSSCGKSA-N 1 0 336.461 2.691 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1COc3ccccc31)OCCO2 ZINC000588934468 479460179 /nfs/dbraw/zinc/46/01/79/479460179.db2.gz ZQCKKRVQHPKAOO-ZDUSSCGKSA-N 1 0 342.351 2.632 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596881139 479469718 /nfs/dbraw/zinc/46/97/18/479469718.db2.gz IORZRJYQAZRSLC-CQSZACIVSA-N 1 0 334.420 2.613 20 5 EFBDRO Cc1ncsc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677237 479470101 /nfs/dbraw/zinc/47/01/01/479470101.db2.gz WIOPCSYQRREHMG-UHFFFAOYSA-N 1 0 347.444 2.556 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599920185 479471253 /nfs/dbraw/zinc/47/12/53/479471253.db2.gz HQUXWFNYBMPUPN-XJKSGUPXSA-N 1 0 334.420 2.604 20 5 EFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604102692 479473278 /nfs/dbraw/zinc/47/32/78/479473278.db2.gz MYSUJSLZJWYUKC-UHFFFAOYSA-N 1 0 342.399 2.579 20 5 EFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OCC1CC1 ZINC000602689401 479476695 /nfs/dbraw/zinc/47/66/95/479476695.db2.gz GZOISHHHAAABKW-UHFFFAOYSA-N 1 0 348.447 2.753 20 5 EFBDRO COC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602689258 479476704 /nfs/dbraw/zinc/47/67/04/479476704.db2.gz BBNFLLVABPFNST-UHFFFAOYSA-N 1 0 334.420 2.506 20 5 EFBDRO CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985795 479486614 /nfs/dbraw/zinc/48/66/14/479486614.db2.gz ITQNASUYMRMGFG-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000599986192 479488100 /nfs/dbraw/zinc/48/81/00/479488100.db2.gz QEUGFLGXLSZYBG-GFCCVEGCSA-N 1 0 337.395 2.780 20 5 EFBDRO C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618561935 479492662 /nfs/dbraw/zinc/49/26/62/479492662.db2.gz INVZHVNSMCPCCE-SFHVURJKSA-N 1 0 346.475 2.588 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(C3CCCC3)C2)n1 ZINC000618567938 479495928 /nfs/dbraw/zinc/49/59/28/479495928.db2.gz MJLDXJKWEWPWBE-DJIMGWMZSA-N 1 0 347.463 2.882 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CO)CCCCC2)n1 ZINC000618571877 479496803 /nfs/dbraw/zinc/49/68/03/479496803.db2.gz JGVTWUFNJQZBJI-HUUCEWRRSA-N 1 0 336.436 2.807 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(CO)cc2)n1 ZINC000618572215 479498558 /nfs/dbraw/zinc/49/85/58/479498558.db2.gz SQTTUIQCFICOPJ-SJORKVTESA-N 1 0 344.415 2.600 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602717627 479500688 /nfs/dbraw/zinc/50/06/88/479500688.db2.gz LXFNYURGKAREPX-CYBMUJFWSA-N 1 0 332.404 2.946 20 5 EFBDRO CSc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915341 479507587 /nfs/dbraw/zinc/50/75/87/479507587.db2.gz JAWVWBZVLWVVML-WCQYABFASA-N 1 0 337.445 2.906 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000600106890 479520004 /nfs/dbraw/zinc/52/00/04/479520004.db2.gz MZEHKLAWOTZPPY-UHFFFAOYSA-N 1 0 337.383 2.793 20 5 EFBDRO Cc1cc(N(C)CC(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611918410 479520948 /nfs/dbraw/zinc/52/09/48/479520948.db2.gz GQWWKEBNOBSBAT-UHFFFAOYSA-N 1 0 328.372 2.510 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939795 479526697 /nfs/dbraw/zinc/52/66/97/479526697.db2.gz OLBOCOIYSKNOON-LBPRGKRZSA-N 1 0 344.371 2.596 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611938964 479526824 /nfs/dbraw/zinc/52/68/24/479526824.db2.gz DCZVIHLHPZGXGG-OLZOCXBDSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611939334 479527147 /nfs/dbraw/zinc/52/71/47/479527147.db2.gz INMFVINJHRRLHG-OLZOCXBDSA-N 1 0 328.372 2.976 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611938858 479527474 /nfs/dbraw/zinc/52/74/74/479527474.db2.gz LBQAWKFSPDWDIG-GUYCJALGSA-N 1 0 340.383 2.754 20 5 EFBDRO Cc1ccncc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611940353 479528579 /nfs/dbraw/zinc/52/85/79/479528579.db2.gz YQVSBDLZURKRLI-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000602760601 479533990 /nfs/dbraw/zinc/53/39/90/479533990.db2.gz YDLDUNQUXDVDTR-UHFFFAOYSA-N 1 0 338.795 2.764 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000589518131 479537791 /nfs/dbraw/zinc/53/77/91/479537791.db2.gz ZUWFMDCIKXFHKM-UHFFFAOYSA-N 1 0 348.399 2.774 20 5 EFBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589605897 479545185 /nfs/dbraw/zinc/54/51/85/479545185.db2.gz BGHFJAFPOFOCHQ-CQSZACIVSA-N 1 0 343.431 2.923 20 5 EFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602782710 479550179 /nfs/dbraw/zinc/55/01/79/479550179.db2.gz VZNRPUKERWCGET-IMJJTQAJSA-N 1 0 336.436 2.625 20 5 EFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602782708 479550743 /nfs/dbraw/zinc/55/07/43/479550743.db2.gz VZNRPUKERWCGET-FVQBIDKESA-N 1 0 336.436 2.625 20 5 EFBDRO COc1ccc(C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000602785845 479551600 /nfs/dbraw/zinc/55/16/00/479551600.db2.gz WDQURNDCXYDYQV-UHFFFAOYSA-N 1 0 344.415 2.988 20 5 EFBDRO Cc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589685032 479558612 /nfs/dbraw/zinc/55/86/12/479558612.db2.gz XKOLLYVTGYMKGQ-CQSZACIVSA-N 1 0 337.395 2.733 20 5 EFBDRO COc1ccc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)cc1 ZINC000602805053 479565463 /nfs/dbraw/zinc/56/54/63/479565463.db2.gz LCEBFLYJKKTXJK-KRWDZBQOSA-N 1 0 330.388 2.849 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@]1(CO)CCOC1 ZINC000600178648 479566260 /nfs/dbraw/zinc/56/62/60/479566260.db2.gz NYXHRKUWPGCBIQ-QGZVFWFLSA-N 1 0 348.424 2.907 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000612059231 479566436 /nfs/dbraw/zinc/56/64/36/479566436.db2.gz DOGAVMMCWASNCA-HNNXBMFYSA-N 1 0 346.383 2.901 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000602807942 479567001 /nfs/dbraw/zinc/56/70/01/479567001.db2.gz VNDGFUZMPKJXHX-HNNXBMFYSA-N 1 0 330.388 2.501 20 5 EFBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000614977908 479567222 /nfs/dbraw/zinc/56/72/22/479567222.db2.gz PWVGSWLJPIWSSI-HOCLYGCPSA-N 1 0 337.445 2.619 20 5 EFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000614977991 479567350 /nfs/dbraw/zinc/56/73/50/479567350.db2.gz PWVGSWLJPIWSSI-ZBFHGGJFSA-N 1 0 337.445 2.619 20 5 EFBDRO CC[C@@](C)(O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000602819016 479573096 /nfs/dbraw/zinc/57/30/96/479573096.db2.gz YEBVMAYCRAUUFA-GOSISDBHSA-N 1 0 346.431 2.763 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000602823240 479576202 /nfs/dbraw/zinc/57/62/02/479576202.db2.gz AQACITZHQUEISG-ARFHVFGLSA-N 1 0 336.436 2.505 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c(C)c1OC ZINC000602828214 479579195 /nfs/dbraw/zinc/57/91/95/479579195.db2.gz CWXZSEXTIYRTEW-GFCCVEGCSA-N 1 0 348.403 2.776 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594077864 479581466 /nfs/dbraw/zinc/58/14/66/479581466.db2.gz BAOFLUBHMMFOER-KGLIPLIRSA-N 1 0 348.403 2.742 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938044 479583628 /nfs/dbraw/zinc/58/36/28/479583628.db2.gz BLWVIPYSCVQWDY-BXUZGUMPSA-N 1 0 348.321 2.929 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845971 479590605 /nfs/dbraw/zinc/59/06/05/479590605.db2.gz NWIUXHYVVRRVLC-UHFFFAOYSA-N 1 0 326.400 2.745 20 5 EFBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)ccnc21 ZINC000590083683 479602141 /nfs/dbraw/zinc/60/21/41/479602141.db2.gz HRGSQOXSIAIRON-AWEZNQCLSA-N 1 0 342.399 2.808 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCC[C@H]21 ZINC000590204430 479616979 /nfs/dbraw/zinc/61/69/79/479616979.db2.gz LBRBZAOLDQYNAU-HZPDHXFCSA-N 1 0 343.427 2.994 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCC[C@H]21 ZINC000590203733 479617771 /nfs/dbraw/zinc/61/77/71/479617771.db2.gz QPFJBCSMGLAYFW-WBVHZDCISA-N 1 0 343.427 2.994 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195710 479627450 /nfs/dbraw/zinc/62/74/50/479627450.db2.gz HQOQGOGFPNPOMM-JKSUJKDBSA-N 1 0 331.416 2.958 20 5 EFBDRO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594197842 479628153 /nfs/dbraw/zinc/62/81/53/479628153.db2.gz QPTWHWJLZMPWJC-CVEARBPZSA-N 1 0 331.416 2.904 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197186 479628589 /nfs/dbraw/zinc/62/85/89/479628589.db2.gz AVOBTWQILAGKSR-CVEARBPZSA-N 1 0 349.456 2.820 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000597223450 479628869 /nfs/dbraw/zinc/62/88/69/479628869.db2.gz OYXUUXSCWQNURG-HYXAFXHYSA-N 1 0 345.443 2.652 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199396 479629311 /nfs/dbraw/zinc/62/93/11/479629311.db2.gz YIOPHDNJWYONBB-KBPBESRZSA-N 1 0 347.415 2.740 20 5 EFBDRO CC(C)[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000590386044 479636526 /nfs/dbraw/zinc/63/65/26/479636526.db2.gz TYNLXXZKCWPHLC-KRWDZBQOSA-N 1 0 336.388 2.613 20 5 EFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]1(C)CO ZINC000597237044 479636725 /nfs/dbraw/zinc/63/67/25/479636725.db2.gz WARJRWYNOMCISK-ZUZCIYMTSA-N 1 0 330.331 2.647 20 5 EFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597240071 479638502 /nfs/dbraw/zinc/63/85/02/479638502.db2.gz NRBZUOLZBZGXJO-RDJZCZTQSA-N 1 0 336.388 2.815 20 5 EFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000597240072 479638601 /nfs/dbraw/zinc/63/86/01/479638601.db2.gz NRBZUOLZBZGXJO-WBVHZDCISA-N 1 0 336.388 2.815 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000590505887 479654692 /nfs/dbraw/zinc/65/46/92/479654692.db2.gz CNRBVUUZJKCQEV-GOSISDBHSA-N 1 0 343.383 2.899 20 5 EFBDRO COc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590568766 479661570 /nfs/dbraw/zinc/66/15/70/479661570.db2.gz BVXZKZJVUGXSHS-ZIAGYGMSSA-N 1 0 337.420 2.823 20 5 EFBDRO C[NH+](C)CCCOC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590584924 479663343 /nfs/dbraw/zinc/66/33/43/479663343.db2.gz PCNWWFIHHBCFPX-UHFFFAOYSA-N 1 0 342.827 2.580 20 5 EFBDRO CC(C)(CO)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000590600329 479666930 /nfs/dbraw/zinc/66/69/30/479666930.db2.gz JQZQOVGBQPUBIK-QGZVFWFLSA-N 1 0 345.399 2.718 20 5 EFBDRO C[N@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000579146885 479668550 /nfs/dbraw/zinc/66/85/50/479668550.db2.gz BUXFKEPXSXZFDR-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]([NH+]4CCCCC4)C3)c21 ZINC000612444418 479673791 /nfs/dbraw/zinc/67/37/91/479673791.db2.gz RQHUOOJVFOJNOU-CYBMUJFWSA-N 1 0 327.388 2.603 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000615835395 479765507 /nfs/dbraw/zinc/76/55/07/479765507.db2.gz RRLQGHDRIDFZAR-BDZHWRPJSA-N 1 0 345.443 2.529 20 5 EFBDRO COc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)ccc1[N+](=O)[O-] ZINC000612954203 479815033 /nfs/dbraw/zinc/81/50/33/479815033.db2.gz DEWUMHFSNFZLAY-YHWZYXNKSA-N 1 0 344.371 2.994 20 5 EFBDRO COc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc1[N+](=O)[O-] ZINC000612955441 479816851 /nfs/dbraw/zinc/81/68/51/479816851.db2.gz ZYJLWARMNGZOTH-YHWZYXNKSA-N 1 0 344.371 2.994 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000619525364 479818480 /nfs/dbraw/zinc/81/84/80/479818480.db2.gz DJIKLUZGAQAUQN-QGZVFWFLSA-N 1 0 342.399 2.500 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000619558367 479827285 /nfs/dbraw/zinc/82/72/85/479827285.db2.gz LCDZWZKSKJYEEH-CRAIPNDOSA-N 1 0 328.368 2.612 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619578963 479834246 /nfs/dbraw/zinc/83/42/46/479834246.db2.gz WZNSBRFBMKNYCN-CQSZACIVSA-N 1 0 344.415 2.561 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000619639155 479845862 /nfs/dbraw/zinc/84/58/62/479845862.db2.gz QPEMIGCTVXMXFT-CYBMUJFWSA-N 1 0 348.403 2.599 20 5 EFBDRO CCCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000609574587 480178927 /nfs/dbraw/zinc/17/89/27/480178927.db2.gz ZLXGTOANJUZVLT-HNNXBMFYSA-N 1 0 346.387 2.600 20 5 EFBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583534 480181157 /nfs/dbraw/zinc/18/11/57/480181157.db2.gz OKCZLQSKSBSCDI-JTQLQIEISA-N 1 0 325.796 2.708 20 5 EFBDRO C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583456 480181247 /nfs/dbraw/zinc/18/12/47/480181247.db2.gz JSJBEFCXGDKKAR-LBPRGKRZSA-N 1 0 346.431 2.629 20 5 EFBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583535 480181697 /nfs/dbraw/zinc/18/16/97/480181697.db2.gz OKCZLQSKSBSCDI-SNVBAGLBSA-N 1 0 325.796 2.708 20 5 EFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000609583057 480181482 /nfs/dbraw/zinc/18/14/82/480181482.db2.gz QPRVVPGNMGUMKV-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609583586 480181553 /nfs/dbraw/zinc/18/15/53/480181553.db2.gz QLCDQTMEGXDTEM-NSHDSACASA-N 1 0 337.445 2.777 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609610117 480185597 /nfs/dbraw/zinc/18/55/97/480185597.db2.gz LDMMVANBLZSCCS-HUUCEWRRSA-N 1 0 348.447 2.660 20 5 EFBDRO COC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000614101144 480191482 /nfs/dbraw/zinc/19/14/82/480191482.db2.gz UOGUQQKIJYVVBD-UHFFFAOYSA-N 1 0 336.388 2.805 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000609631688 480192080 /nfs/dbraw/zinc/19/20/80/480192080.db2.gz NWMCMDIVWMIZBQ-NSHDSACASA-N 1 0 341.795 2.545 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609833346 480210802 /nfs/dbraw/zinc/21/08/02/480210802.db2.gz HPTKJJFOZDLSIC-GFCCVEGCSA-N 1 0 325.796 2.852 20 5 EFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000609833700 480210848 /nfs/dbraw/zinc/21/08/48/480210848.db2.gz VNOOEEIMNWHPGG-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609833655 480211436 /nfs/dbraw/zinc/21/14/36/480211436.db2.gz RMHGYFIHDXRXMJ-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848917 480212447 /nfs/dbraw/zinc/21/24/47/480212447.db2.gz OMATZTMYDZEYCQ-STQMWFEESA-N 1 0 346.387 2.800 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000609849295 480213422 /nfs/dbraw/zinc/21/34/22/480213422.db2.gz ILPTXMVWXHDVKI-AWEZNQCLSA-N 1 0 343.412 2.736 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000609877120 480215446 /nfs/dbraw/zinc/21/54/46/480215446.db2.gz JUNKOFWXTIIXOE-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO Cn1c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610051500 480231333 /nfs/dbraw/zinc/23/13/33/480231333.db2.gz SZWSOURGAUHQSM-UHFFFAOYSA-N 1 0 342.399 2.676 20 5 EFBDRO Cc1cc(N2CC[C@@H](C)[S@](=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000617483678 480237009 /nfs/dbraw/zinc/23/70/09/480237009.db2.gz JEWCWPXMJPJEEV-SFDCACGMSA-N 1 0 333.413 2.799 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279217 480269275 /nfs/dbraw/zinc/26/92/75/480269275.db2.gz AMKXOVWHXXLIMJ-HNNXBMFYSA-N 1 0 329.404 2.967 20 5 EFBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000610279194 480269846 /nfs/dbraw/zinc/26/98/46/480269846.db2.gz DPHUIQBGCBJGQH-OAHLLOKOSA-N 1 0 341.415 2.612 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000610428683 480304067 /nfs/dbraw/zinc/30/40/67/480304067.db2.gz QKDVEXAROWDASV-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)cc1C ZINC000610447548 480308589 /nfs/dbraw/zinc/30/85/89/480308589.db2.gz QHEMACJBMOKQPB-UHFFFAOYSA-N 1 0 332.404 2.557 20 5 EFBDRO CSc1cccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000614457121 480313248 /nfs/dbraw/zinc/31/32/48/480313248.db2.gz UCIIZTWTHIPMCQ-LLVKDONJSA-N 1 0 337.445 2.777 20 5 EFBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)cc1C ZINC000610485017 480317798 /nfs/dbraw/zinc/31/77/98/480317798.db2.gz RLPFNVYGWMQNNL-UHFFFAOYSA-N 1 0 332.404 2.557 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610485021 480317976 /nfs/dbraw/zinc/31/79/76/480317976.db2.gz WUNRCDUAXYYODD-AEFFLSMTSA-N 1 0 344.415 2.891 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000610512375 480326417 /nfs/dbraw/zinc/32/64/17/480326417.db2.gz RTKUMBSLLVTPSP-JTQLQIEISA-N 1 0 341.209 2.649 20 5 EFBDRO COc1ccccc1OCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580756 480342760 /nfs/dbraw/zinc/34/27/60/480342760.db2.gz DRBKSSREEKNCGC-UHFFFAOYSA-N 1 0 343.339 2.913 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000610715919 480372844 /nfs/dbraw/zinc/37/28/44/480372844.db2.gz COWAFKJXFBRMED-CQSZACIVSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610719286 480374060 /nfs/dbraw/zinc/37/40/60/480374060.db2.gz PKTOBLVMZZUZFV-UKRRQHHQSA-N 1 0 334.420 2.829 20 5 EFBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184235047 533781102 /nfs/dbraw/zinc/78/11/02/533781102.db2.gz RGQFWBZUDFFGEW-UHFFFAOYSA-N 1 0 326.368 2.991 20 5 EFBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000184221148 533783715 /nfs/dbraw/zinc/78/37/15/533783715.db2.gz KDLXSONVPGEVEF-GFCCVEGCSA-N 1 0 325.384 2.516 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000181095220 533787738 /nfs/dbraw/zinc/78/77/38/533787738.db2.gz FWDKUVMEGMRYRC-DOMZBBRYSA-N 1 0 338.404 2.595 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176004269 533797101 /nfs/dbraw/zinc/79/71/01/533797101.db2.gz BJJYZABGINYJLB-OKILXGFUSA-N 1 0 348.447 2.665 20 5 EFBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000184237774 533824409 /nfs/dbraw/zinc/82/44/09/533824409.db2.gz OMMJXWMDIGMASD-WFASDCNBSA-N 1 0 337.395 2.659 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000129713744 533872857 /nfs/dbraw/zinc/87/28/57/533872857.db2.gz HPAPHCGLWBYPAF-ZDUSSCGKSA-N 1 0 348.424 2.892 20 5 EFBDRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178819491 534288513 /nfs/dbraw/zinc/28/85/13/534288513.db2.gz YPJWIQUOLRGUIQ-NEPJUHHUSA-N 1 0 337.445 2.661 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174521169 534317038 /nfs/dbraw/zinc/31/70/38/534317038.db2.gz HTPHGQXFHJHXSH-HNNXBMFYSA-N 1 0 331.416 2.851 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000159830039 534320482 /nfs/dbraw/zinc/32/04/82/534320482.db2.gz ZOMNLLUMDVWYKW-UHFFFAOYSA-N 1 0 345.374 2.808 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000055936351 518646438 /nfs/dbraw/zinc/64/64/38/518646438.db2.gz PEHZZNRQIHNUQE-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000352067169 534372817 /nfs/dbraw/zinc/37/28/17/534372817.db2.gz GYJYMNVBCWLKCO-HOCLYGCPSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000117802474 519349128 /nfs/dbraw/zinc/34/91/28/519349128.db2.gz RAFFKEDQDLRPOS-CQSZACIVSA-N 1 0 341.839 2.883 20 5 EFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155029487 534450178 /nfs/dbraw/zinc/45/01/78/534450178.db2.gz MMRRDUZEFQDAGO-LBPRGKRZSA-N 1 0 329.356 2.552 20 5 EFBDRO CCC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000151267680 519842177 /nfs/dbraw/zinc/84/21/77/519842177.db2.gz AHPYXAPFJQWSQL-UHFFFAOYSA-N 1 0 337.395 2.515 20 5 EFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000109787544 519843994 /nfs/dbraw/zinc/84/39/94/519843994.db2.gz YJCRMPYFOVKQFV-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CC[NH2+]CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000151422625 519922242 /nfs/dbraw/zinc/92/22/42/519922242.db2.gz KETVXYMNGPFSMD-UHFFFAOYSA-N 1 0 342.399 2.546 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188180284 520243932 /nfs/dbraw/zinc/24/39/32/520243932.db2.gz AGEPSKOHKXJWDF-LBPRGKRZSA-N 1 0 337.445 2.731 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000065253865 520660544 /nfs/dbraw/zinc/66/05/44/520660544.db2.gz BIAKPGOBMGMVLD-CQSZACIVSA-N 1 0 349.431 2.732 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245431654 520727823 /nfs/dbraw/zinc/72/78/23/520727823.db2.gz AWIFQWDJHFASPJ-CABCVRRESA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245431657 520740870 /nfs/dbraw/zinc/74/08/70/520740870.db2.gz AWIFQWDJHFASPJ-HUUCEWRRSA-N 1 0 348.447 2.586 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000245435575 521708126 /nfs/dbraw/zinc/70/81/26/521708126.db2.gz QMYYHGMTTVDRHM-GJZGRUSLSA-N 1 0 336.436 2.847 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000072013263 521750491 /nfs/dbraw/zinc/75/04/91/521750491.db2.gz JHNMPHBYARBMNI-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO Cc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000154638081 534594386 /nfs/dbraw/zinc/59/43/86/534594386.db2.gz FYNAFYGKYUXZLE-UHFFFAOYSA-N 1 0 331.416 2.994 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000018174840 521906799 /nfs/dbraw/zinc/90/67/99/521906799.db2.gz WOKVGRNMPOCTLD-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000176942231 521934042 /nfs/dbraw/zinc/93/40/42/521934042.db2.gz GKXNKHWTHHTQPF-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000054125210 522022057 /nfs/dbraw/zinc/02/20/57/522022057.db2.gz GKTURGIJIFYYQR-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000072005085 522075078 /nfs/dbraw/zinc/07/50/78/522075078.db2.gz IYMMPIZTFOLJNA-QGZVFWFLSA-N 1 0 345.374 2.696 20 5 EFBDRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000101651885 522121556 /nfs/dbraw/zinc/12/15/56/522121556.db2.gz LDZUJHXQTIEFFG-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000121222931 522379776 /nfs/dbraw/zinc/37/97/76/522379776.db2.gz IKVWCDYKZNPBQY-LBPRGKRZSA-N 1 0 346.387 2.715 20 5 EFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000151032511 522386118 /nfs/dbraw/zinc/38/61/18/522386118.db2.gz FHVFVDFFLMPCSM-GFCCVEGCSA-N 1 0 346.412 2.542 20 5 EFBDRO CCc1nn(C)c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192957996 522670473 /nfs/dbraw/zinc/67/04/73/522670473.db2.gz XAXKMGCZFJORQD-OAHLLOKOSA-N 1 0 343.431 2.825 20 5 EFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000135569902 522913479 /nfs/dbraw/zinc/91/34/79/522913479.db2.gz VPZZMCHYQDQPEA-MRXNPFEDSA-N 1 0 330.388 2.717 20 5 EFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000080611138 523301564 /nfs/dbraw/zinc/30/15/64/523301564.db2.gz QBVOYBRWDKDEFD-UHFFFAOYSA-N 1 0 337.420 2.654 20 5 EFBDRO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000076940636 523775158 /nfs/dbraw/zinc/77/51/58/523775158.db2.gz JKJGEULOFAMFNI-UHFFFAOYSA-N 1 0 334.376 2.749 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000063829517 524058594 /nfs/dbraw/zinc/05/85/94/524058594.db2.gz XUQGXHCAEPLWIQ-UHFFFAOYSA-N 1 0 327.384 2.732 20 5 EFBDRO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194928444 524451928 /nfs/dbraw/zinc/45/19/28/524451928.db2.gz GKWUIMCUTDCFAQ-AWEZNQCLSA-N 1 0 345.403 2.732 20 5 EFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245850170 524480941 /nfs/dbraw/zinc/48/09/41/524480941.db2.gz CRYGVYQFUDZROV-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007783590 524500660 /nfs/dbraw/zinc/50/06/60/524500660.db2.gz DMZFIKMKYCYWDM-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000120618494 524679459 /nfs/dbraw/zinc/67/94/59/524679459.db2.gz ZNRPDVKUMSGJCJ-HNNXBMFYSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000119774067 525010530 /nfs/dbraw/zinc/01/05/30/525010530.db2.gz WMKJOHFFBRWNDZ-KDOFPFPSSA-N 1 0 339.395 2.845 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137457233 525262769 /nfs/dbraw/zinc/26/27/69/525262769.db2.gz NQYBJGQNILBBBE-GDBMZVCRSA-N 1 0 339.395 2.988 20 5 EFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000194415207 525369203 /nfs/dbraw/zinc/36/92/03/525369203.db2.gz AFSMNWHHMKTZDH-LBPRGKRZSA-N 1 0 341.367 2.819 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150789480 525455174 /nfs/dbraw/zinc/45/51/74/525455174.db2.gz CMAHVXNBPZBSPM-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO Cc1c(Br)c(NCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000165761773 525523448 /nfs/dbraw/zinc/52/34/48/525523448.db2.gz KBJKUNUHUXKFQS-UHFFFAOYSA-N 1 0 343.225 2.959 20 5 EFBDRO Cc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000043966577 525627575 /nfs/dbraw/zinc/62/75/75/525627575.db2.gz NTFVQJCSVWOLEO-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO C[C@@](C[NH3+])(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000154908804 525741633 /nfs/dbraw/zinc/74/16/33/525741633.db2.gz SZBJEFRHSNPGNK-INIZCTEOSA-N 1 0 346.412 2.576 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000131195421 534887094 /nfs/dbraw/zinc/88/70/94/534887094.db2.gz VXBKKPFFEUHDBM-GOSISDBHSA-N 1 0 341.411 2.758 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000181114133 525913988 /nfs/dbraw/zinc/91/39/88/525913988.db2.gz HDABUNBLIRNFTJ-GRTSSRMGSA-N 1 0 340.445 2.910 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121653213 526078125 /nfs/dbraw/zinc/07/81/25/526078125.db2.gz WIQMOHGVRWLPBN-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000186721531 526088830 /nfs/dbraw/zinc/08/88/30/526088830.db2.gz OCFPIUGZFUDIDL-NEPJUHHUSA-N 1 0 337.445 2.919 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350951021 534904523 /nfs/dbraw/zinc/90/45/23/534904523.db2.gz OJHQCYWSXUFKOI-BBRMVZONSA-N 1 0 334.420 2.829 20 5 EFBDRO Cc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000060015785 526209875 /nfs/dbraw/zinc/20/98/75/526209875.db2.gz UZCXJKGHUJTBSY-VNHYZAJKSA-N 1 0 333.432 2.999 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065867824 526246776 /nfs/dbraw/zinc/24/67/76/526246776.db2.gz NOOVKWFUJANIMA-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000193787183 526537699 /nfs/dbraw/zinc/53/76/99/526537699.db2.gz CLXZAAZUHYRSST-AWEZNQCLSA-N 1 0 345.424 2.908 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000072013505 526716416 /nfs/dbraw/zinc/71/64/16/526716416.db2.gz LBZVPBMERGUEHJ-UHFFFAOYSA-N 1 0 335.404 2.916 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CC[NH2+]CC1 ZINC000238033876 526760308 /nfs/dbraw/zinc/76/03/08/526760308.db2.gz YKGRPOGPPNZKFG-UHFFFAOYSA-N 1 0 339.395 2.532 20 5 EFBDRO Cc1sc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081293074 526873868 /nfs/dbraw/zinc/87/38/68/526873868.db2.gz GTJBOVVVRZVSHH-ZDUSSCGKSA-N 1 0 337.445 2.959 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000157911302 527329566 /nfs/dbraw/zinc/32/95/66/527329566.db2.gz VLMDJXPBMLZLFK-NEPJUHHUSA-N 1 0 340.221 2.684 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c2c(c1)COCO2 ZINC000193852371 527330255 /nfs/dbraw/zinc/33/02/55/527330255.db2.gz QNIWDBLLSXETKN-LBPRGKRZSA-N 1 0 344.371 2.564 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3ccccc3)C2)nc1 ZINC000118866413 527368427 /nfs/dbraw/zinc/36/84/27/527368427.db2.gz JEWLCRGACKLXAI-CQSZACIVSA-N 1 0 328.372 2.555 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000079483186 527371821 /nfs/dbraw/zinc/37/18/21/527371821.db2.gz FJARRPTVEZIZGO-QGZVFWFLSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000157639481 527414847 /nfs/dbraw/zinc/41/48/47/527414847.db2.gz DWAYQLMBFMNEJA-CYBMUJFWSA-N 1 0 341.371 2.812 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000174517389 527825755 /nfs/dbraw/zinc/82/57/55/527825755.db2.gz YYUPXXFYPFHHMP-OAHLLOKOSA-N 1 0 348.447 2.587 20 5 EFBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000188003078 527980819 /nfs/dbraw/zinc/98/08/19/527980819.db2.gz YAASYDUJKLRPMA-PNPHSEOMSA-N 1 0 349.431 2.613 20 5 EFBDRO CC1(CNc2ncc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000129436531 527989963 /nfs/dbraw/zinc/98/99/63/527989963.db2.gz SJUFLXLCWNJGRM-UHFFFAOYSA-N 1 0 329.198 2.554 20 5 EFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000189273351 528069341 /nfs/dbraw/zinc/06/93/41/528069341.db2.gz ULAAVQZUDVMXQP-UHFFFAOYSA-N 1 0 344.415 2.947 20 5 EFBDRO CC[NH+](CC)CCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179433208 528098006 /nfs/dbraw/zinc/09/80/06/528098006.db2.gz YWWHORQZZVNDHY-UHFFFAOYSA-N 1 0 346.431 2.857 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000174534556 528161500 /nfs/dbraw/zinc/16/15/00/528161500.db2.gz ALBCUSQJKPVFGU-UHFFFAOYSA-N 1 0 337.445 2.559 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000174023093 528162792 /nfs/dbraw/zinc/16/27/92/528162792.db2.gz MOFTZWFMKRAIAG-UHFFFAOYSA-N 1 0 329.397 2.747 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000189900593 528194133 /nfs/dbraw/zinc/19/41/33/528194133.db2.gz FVHFNFKGJBICDH-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174123946 528285837 /nfs/dbraw/zinc/28/58/37/528285837.db2.gz BSYGOFKWYJZSNU-ZDUSSCGKSA-N 1 0 336.392 2.551 20 5 EFBDRO CCCC[N@H+](CCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000182151747 528418730 /nfs/dbraw/zinc/41/87/30/528418730.db2.gz PBWULTCKLQTPKT-UHFFFAOYSA-N 1 0 334.376 2.629 20 5 EFBDRO CCCC[N@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000159082958 528429391 /nfs/dbraw/zinc/42/93/91/528429391.db2.gz PFFPKLLSFWJYLQ-UHFFFAOYSA-N 1 0 332.404 2.590 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000175169160 528611778 /nfs/dbraw/zinc/61/17/78/528611778.db2.gz IWCZTLTWIAVBBE-CYBMUJFWSA-N 1 0 336.388 2.578 20 5 EFBDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130157787 529186523 /nfs/dbraw/zinc/18/65/23/529186523.db2.gz LKCUHNIOPXXCAN-FUHWJXTLSA-N 1 0 345.399 2.813 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000174976283 529303379 /nfs/dbraw/zinc/30/33/79/529303379.db2.gz JGGMGLDCJAQDRF-DMGQIGSTSA-N 1 0 329.400 2.693 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412120651 534942595 /nfs/dbraw/zinc/94/25/95/534942595.db2.gz DUGVLCUYDZYSNC-HIFRSBDPSA-N 1 0 349.431 2.794 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412143273 534943495 /nfs/dbraw/zinc/94/34/95/534943495.db2.gz ZKDOWQMYUMHKLN-AWEZNQCLSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000412131150 534944916 /nfs/dbraw/zinc/94/49/16/534944916.db2.gz VRTXPQFENFYWNL-CYBMUJFWSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000412248097 534945157 /nfs/dbraw/zinc/94/51/57/534945157.db2.gz KUASJZUTFBWFEH-BBRMVZONSA-N 1 0 347.415 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412252827 534950233 /nfs/dbraw/zinc/95/02/33/534950233.db2.gz XDLHPOLAYQSPOP-GXTWGEPZSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000412158173 534950337 /nfs/dbraw/zinc/95/03/37/534950337.db2.gz HREFESFJKUAVQJ-HUUCEWRRSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000340923670 535020342 /nfs/dbraw/zinc/02/03/42/535020342.db2.gz WGWMSQWRFBBHIS-MRXNPFEDSA-N 1 0 345.403 2.887 20 5 EFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342089598 535021831 /nfs/dbraw/zinc/02/18/31/535021831.db2.gz RYEKRBCRAWYMAN-XKQJLSEDSA-N 1 0 333.432 2.941 20 5 EFBDRO CC(C)[NH+](CCN(C)C(=O)CNc1ccccc1[N+](=O)[O-])C(C)C ZINC000357535029 535058063 /nfs/dbraw/zinc/05/80/63/535058063.db2.gz FHLNMXTYZVFNGK-UHFFFAOYSA-N 1 0 336.436 2.584 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCO[C@@H]21 ZINC000344680563 535073512 /nfs/dbraw/zinc/07/35/12/535073512.db2.gz NZSPRINOBIOIDN-UAGQMJEPSA-N 1 0 348.399 2.755 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418345381 535093608 /nfs/dbraw/zinc/09/36/08/535093608.db2.gz PDTHTDHOLLBLGH-ZBFHGGJFSA-N 1 0 348.447 2.903 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418594416 535094274 /nfs/dbraw/zinc/09/42/74/535094274.db2.gz FMZDOZDODLPWKB-HIFRSBDPSA-N 1 0 334.420 2.655 20 5 EFBDRO CC(C)(NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418350059 535224742 /nfs/dbraw/zinc/22/47/42/535224742.db2.gz QOWAIYXICMXONB-ZDUSSCGKSA-N 1 0 334.420 2.519 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418399629 535226581 /nfs/dbraw/zinc/22/65/81/535226581.db2.gz DYFAOWMUQOIXGN-GXTWGEPZSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000418796874 535227074 /nfs/dbraw/zinc/22/70/74/535227074.db2.gz RPCHTDPHVNCMGL-KCQAQPDRSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418399633 535227077 /nfs/dbraw/zinc/22/70/77/535227077.db2.gz DYFAOWMUQOIXGN-TZMCWYRMSA-N 1 0 334.420 2.647 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000418778982 535227323 /nfs/dbraw/zinc/22/73/23/535227323.db2.gz ARWWEZVPOZNRHO-HZSPNIEDSA-N 1 0 346.431 2.517 20 5 EFBDRO CC(C)([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc([N+](=O)[O-])cc1 ZINC000352917010 535249960 /nfs/dbraw/zinc/24/99/60/535249960.db2.gz VRKDQJXGPZLLMX-UHFFFAOYSA-N 1 0 341.367 2.951 20 5 EFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418420742 535275250 /nfs/dbraw/zinc/27/52/50/535275250.db2.gz AGFJUQYECDMBDN-AWEZNQCLSA-N 1 0 334.420 2.642 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347841963 535354970 /nfs/dbraw/zinc/35/49/70/535354970.db2.gz FGXQNPNQPXLVHH-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412103413 535487655 /nfs/dbraw/zinc/48/76/55/535487655.db2.gz ZYENZQAEISJRHN-OAHLLOKOSA-N 1 0 349.431 2.986 20 5 EFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000344638799 535555470 /nfs/dbraw/zinc/55/54/70/535555470.db2.gz PEJZQCGROIWTCT-UHFFFAOYSA-N 1 0 346.387 2.896 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344770740 535586953 /nfs/dbraw/zinc/58/69/53/535586953.db2.gz LXGLRJUDZSCJBS-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO CCOC(=O)CCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000344608733 535625426 /nfs/dbraw/zinc/62/54/26/535625426.db2.gz WGZDHGKUYYRFIZ-UHFFFAOYSA-N 1 0 349.431 2.840 20 5 EFBDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000344529521 535676275 /nfs/dbraw/zinc/67/62/75/535676275.db2.gz IZZNFLJJUPTXTQ-LBPRGKRZSA-N 1 0 336.413 2.810 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710677 535771767 /nfs/dbraw/zinc/77/17/67/535771767.db2.gz LVBALALEBUWPBN-DOTOQJQBSA-N 1 0 333.432 2.716 20 5 EFBDRO CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414251001 535803334 /nfs/dbraw/zinc/80/33/34/535803334.db2.gz ICYHEISTNHOUPF-CQSZACIVSA-N 1 0 328.434 2.849 20 5 EFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000356289262 535846701 /nfs/dbraw/zinc/84/67/01/535846701.db2.gz AJNPDNRJCHSEIH-UHFFFAOYSA-N 1 0 345.321 2.780 20 5 EFBDRO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000349065144 535854433 /nfs/dbraw/zinc/85/44/33/535854433.db2.gz XVJHGGVMTFNXOE-AFCDSYGPSA-N 1 0 333.432 2.651 20 5 EFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000349070340 535861930 /nfs/dbraw/zinc/86/19/30/535861930.db2.gz BWQLHOGVDOKFPG-HNNXBMFYSA-N 1 0 341.839 2.791 20 5 EFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cc1Cl ZINC000433434756 535866902 /nfs/dbraw/zinc/86/69/02/535866902.db2.gz QAJOZAOBKJNSRX-UHFFFAOYSA-N 1 0 335.795 2.606 20 5 EFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC1(C)C ZINC000419316899 535895876 /nfs/dbraw/zinc/89/58/76/535895876.db2.gz MEVZYCHSGUISJU-MNOVXSKESA-N 1 0 349.387 2.676 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000414124017 535904567 /nfs/dbraw/zinc/90/45/67/535904567.db2.gz BQTJADXJILWWST-CABCVRRESA-N 1 0 340.445 2.783 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412163082 536049834 /nfs/dbraw/zinc/04/98/34/536049834.db2.gz MYAIHKNGGODSJX-JKSUJKDBSA-N 1 0 340.383 2.794 20 5 EFBDRO CCc1cc(NCC2([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419003116 536088923 /nfs/dbraw/zinc/08/89/23/536088923.db2.gz CFXBGUSZPOPFFU-UHFFFAOYSA-N 1 0 341.415 2.542 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412399516 536147203 /nfs/dbraw/zinc/14/72/03/536147203.db2.gz ZRKZQRFBHNNCRB-RRQGHBQHSA-N 1 0 331.416 2.641 20 5 EFBDRO CN(C)c1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000414359894 536161301 /nfs/dbraw/zinc/16/13/01/536161301.db2.gz PJVLRCQDZQWMFD-UHFFFAOYSA-N 1 0 331.420 2.507 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000411786371 536307928 /nfs/dbraw/zinc/30/79/28/536307928.db2.gz CUHWEWRLGIBZGT-ZDUSSCGKSA-N 1 0 337.420 2.652 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1nc2sccn2c1[N+](=O)[O-] ZINC000343814955 536342792 /nfs/dbraw/zinc/34/27/92/536342792.db2.gz RFQBALVBOHMJKC-UHFFFAOYSA-N 1 0 349.416 2.855 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000412189191 536379398 /nfs/dbraw/zinc/37/93/98/536379398.db2.gz CTEUOFMNOVASAS-SPUZQDLCSA-N 1 0 343.427 2.641 20 5 EFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000360090474 536446063 /nfs/dbraw/zinc/44/60/63/536446063.db2.gz WRKGKMDJNWMPTR-LBPRGKRZSA-N 1 0 331.372 2.755 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000246365686 536470269 /nfs/dbraw/zinc/47/02/69/536470269.db2.gz ADOYLCFBNZVWFD-XJKSGUPXSA-N 1 0 349.456 2.630 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000353768246 536476872 /nfs/dbraw/zinc/47/68/72/536476872.db2.gz NQXWBIPDLGFUJF-OCCSQVGLSA-N 1 0 336.388 2.815 20 5 EFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCC[C@H]1O ZINC000426237430 536485469 /nfs/dbraw/zinc/48/54/69/536485469.db2.gz IQLUPHIAECWRSL-HZPDHXFCSA-N 1 0 331.372 2.985 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342744352 536495506 /nfs/dbraw/zinc/49/55/06/536495506.db2.gz BIHHJSJYWQGAPO-KBPBESRZSA-N 1 0 335.404 2.670 20 5 EFBDRO COc1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000327890432 536501258 /nfs/dbraw/zinc/50/12/58/536501258.db2.gz FIDQEQMVCVIPTA-HNNXBMFYSA-N 1 0 343.383 2.813 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@H]1CCCC2 ZINC000342185157 536586765 /nfs/dbraw/zinc/58/67/65/536586765.db2.gz ZTKLRPOTGKSBEK-KDOFPFPSSA-N 1 0 348.399 2.769 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342128078 536587751 /nfs/dbraw/zinc/58/77/51/536587751.db2.gz RLLDRNGXKOABBL-KDOFPFPSSA-N 1 0 348.399 2.769 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@H]1CCCC2 ZINC000342149772 536588359 /nfs/dbraw/zinc/58/83/59/536588359.db2.gz GRXMWCLMYMVUGB-KDOFPFPSSA-N 1 0 348.399 2.769 20 5 EFBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000266599501 536639825 /nfs/dbraw/zinc/63/98/25/536639825.db2.gz CSYYSUZWZFKOSJ-MRXNPFEDSA-N 1 0 332.404 2.756 20 5 EFBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000412027748 536706992 /nfs/dbraw/zinc/70/69/92/536706992.db2.gz WGKOEIPKFSFQPH-CYBMUJFWSA-N 1 0 335.404 2.779 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342561623 536742739 /nfs/dbraw/zinc/74/27/39/536742739.db2.gz BZCMZAJSCQPYKI-HUUCEWRRSA-N 1 0 349.431 2.979 20 5 EFBDRO CO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000411785164 536793529 /nfs/dbraw/zinc/79/35/29/536793529.db2.gz BDKFQSXZIQMHHU-CVEARBPZSA-N 1 0 347.415 2.813 20 5 EFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000342243291 536799856 /nfs/dbraw/zinc/79/98/56/536799856.db2.gz ITKWAUNCTDJRJS-QWHCGFSZSA-N 1 0 338.404 2.500 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000411972841 536834785 /nfs/dbraw/zinc/83/47/85/536834785.db2.gz QRQPJWHFECHTJS-PIGZYNQJSA-N 1 0 346.387 2.938 20 5 EFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347573396 536881855 /nfs/dbraw/zinc/88/18/55/536881855.db2.gz ZXDGYFQKDXSAQE-VXGBXAGGSA-N 1 0 344.371 2.676 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414534642 536893118 /nfs/dbraw/zinc/89/31/18/536893118.db2.gz VJNPPJOEZQCCGY-AWEZNQCLSA-N 1 0 334.347 2.608 20 5 EFBDRO COc1ccc(-c2ccc(CN3CCC[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000346086812 536895947 /nfs/dbraw/zinc/89/59/47/536895947.db2.gz UUQUGBZAQRAMIS-LBPRGKRZSA-N 1 0 331.372 2.787 20 5 EFBDRO COc1ccc(-c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000359461243 536896270 /nfs/dbraw/zinc/89/62/70/536896270.db2.gz UFNHLYYKNUBBJB-STQMWFEESA-N 1 0 343.383 2.515 20 5 EFBDRO COc1ncccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353551239 536900791 /nfs/dbraw/zinc/90/07/91/536900791.db2.gz UYORTOLHOBWBDN-CABCVRRESA-N 1 0 345.403 2.511 20 5 EFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414874024 536944108 /nfs/dbraw/zinc/94/41/08/536944108.db2.gz AMFWNBHLNNSGHE-RTBURBONSA-N 1 0 341.411 2.839 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000275387538 538142985 /nfs/dbraw/zinc/14/29/85/538142985.db2.gz ZEGUXWQYWUXNES-WFASDCNBSA-N 1 0 336.417 2.626 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285895883 545682896 /nfs/dbraw/zinc/68/28/96/545682896.db2.gz RPIQLBUXHUVVOQ-CJNGLKHVSA-N 1 0 331.416 2.856 20 5 EFBDRO C[C@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)S1 ZINC000753917423 575359111 /nfs/dbraw/zinc/35/91/11/575359111.db2.gz PNHFGFQORDQNFY-QWRGUYRKSA-N 1 0 341.408 2.888 20 5 EFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000754250706 575410686 /nfs/dbraw/zinc/41/06/86/575410686.db2.gz MPKGXXSGQKTQIW-SFHVURJKSA-N 1 0 330.384 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000754250553 575410762 /nfs/dbraw/zinc/41/07/62/575410762.db2.gz JJFIGRAPDONKSU-SFHVURJKSA-N 1 0 338.367 2.604 20 5 EFBDRO COc1ccc(OCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250939 575410789 /nfs/dbraw/zinc/41/07/89/575410789.db2.gz NJOYRUURBOAFMF-GOSISDBHSA-N 1 0 346.383 2.696 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC000754251877 575411113 /nfs/dbraw/zinc/41/11/13/575411113.db2.gz XULUPLJODPHDCT-INIZCTEOSA-N 1 0 336.775 2.950 20 5 EFBDRO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000754346826 575423193 /nfs/dbraw/zinc/42/31/93/575423193.db2.gz GTIUEZOQKHLRNQ-HZPDHXFCSA-N 1 0 334.372 2.761 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382079 575427917 /nfs/dbraw/zinc/42/79/17/575427917.db2.gz FGHWLCMHNQTJJC-AWEZNQCLSA-N 1 0 349.412 2.698 20 5 EFBDRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000754382051 575428028 /nfs/dbraw/zinc/42/80/28/575428028.db2.gz FBRWXYKZYWWQKM-FZMZJTMJSA-N 1 0 349.412 2.697 20 5 EFBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000754383830 575428288 /nfs/dbraw/zinc/42/82/88/575428288.db2.gz JUAMNGLIIYIFCX-IINYFYTJSA-N 1 0 343.811 2.836 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754388599 575429809 /nfs/dbraw/zinc/42/98/09/575429809.db2.gz PNDMTHVQTCFLLW-CYBMUJFWSA-N 1 0 349.412 2.617 20 5 EFBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000754870126 575506546 /nfs/dbraw/zinc/50/65/46/575506546.db2.gz GFZIAMVJLWWIPK-UHFFFAOYSA-N 1 0 348.399 2.974 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756335032 575719509 /nfs/dbraw/zinc/71/95/09/575719509.db2.gz WBMMIYNPTYUWOR-UWVGGRQHSA-N 1 0 326.784 2.805 20 5 EFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC000756714027 575780385 /nfs/dbraw/zinc/78/03/85/575780385.db2.gz LDDWYGZPGQHIJF-ZDUSSCGKSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756998574 575809400 /nfs/dbraw/zinc/80/94/00/575809400.db2.gz MTUXJXABNBBKHH-PHIMTYICSA-N 1 0 325.796 2.737 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757795341 575853113 /nfs/dbraw/zinc/85/31/13/575853113.db2.gz KXZMNGFCWGPOSJ-TVQRCGJNSA-N 1 0 338.795 2.852 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758504608 575871104 /nfs/dbraw/zinc/87/11/04/575871104.db2.gz KKKHPYAXFOYDFA-ZDUSSCGKSA-N 1 0 337.395 2.846 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000758506361 575871116 /nfs/dbraw/zinc/87/11/16/575871116.db2.gz DUPGLTSDABVDRV-AWEZNQCLSA-N 1 0 349.406 2.846 20 5 EFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000759751319 575929974 /nfs/dbraw/zinc/92/99/74/575929974.db2.gz XJIULDICIGIYBW-UHFFFAOYSA-N 1 0 328.372 2.799 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000760466066 576027947 /nfs/dbraw/zinc/02/79/47/576027947.db2.gz MBKMLTHOVHZTDN-UHFFFAOYSA-N 1 0 336.461 2.840 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761525430 576174379 /nfs/dbraw/zinc/17/43/79/576174379.db2.gz JZZPKGXIFCFKDW-NEPJUHHUSA-N 1 0 346.836 2.694 20 5 EFBDRO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000763407607 576376125 /nfs/dbraw/zinc/37/61/25/576376125.db2.gz NOHVOWQUNQKBFB-WDEREUQCSA-N 1 0 341.358 2.866 20 5 EFBDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000763523891 576380077 /nfs/dbraw/zinc/38/00/77/576380077.db2.gz KANIVDYSCZVFHO-FZMZJTMJSA-N 1 0 348.355 2.561 20 5 EFBDRO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000764197297 576440489 /nfs/dbraw/zinc/44/04/89/576440489.db2.gz IRTFJGCCAXMFEO-LLVKDONJSA-N 1 0 341.795 2.545 20 5 EFBDRO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000764311116 576447646 /nfs/dbraw/zinc/44/76/46/576447646.db2.gz MSAWRSBGIMANOU-CQSZACIVSA-N 1 0 342.399 2.881 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnc2ccccn21 ZINC000764639074 576483267 /nfs/dbraw/zinc/48/32/67/576483267.db2.gz CDMTVWJOHXAEPZ-AWEZNQCLSA-N 1 0 339.399 2.791 20 5 EFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764929795 576525134 /nfs/dbraw/zinc/52/51/34/576525134.db2.gz ZADOFDVVHNJSLM-ZDUSSCGKSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000764954115 576528321 /nfs/dbraw/zinc/52/83/21/576528321.db2.gz BRBJFUIHZSBBIF-ZDUSSCGKSA-N 1 0 338.371 2.730 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000764967907 576530110 /nfs/dbraw/zinc/53/01/10/576530110.db2.gz ZAIPNFHYNZUJHE-RBUKOAKNSA-N 1 0 344.459 2.780 20 5 EFBDRO Cc1nn(CN2CCC[N@@H+](C(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764974010 576531473 /nfs/dbraw/zinc/53/14/73/576531473.db2.gz USEQBTQQMYYOLX-UHFFFAOYSA-N 1 0 331.420 2.627 20 5 EFBDRO COC(=O)N1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765630954 577061296 /nfs/dbraw/zinc/06/12/96/577061296.db2.gz PGSLRUCXXPRAIB-JKSUJKDBSA-N 1 0 347.415 2.736 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000765747610 577072247 /nfs/dbraw/zinc/07/22/47/577072247.db2.gz ZCMJZKSLUCTNHV-ZBFHGGJFSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000765795187 577077835 /nfs/dbraw/zinc/07/78/35/577077835.db2.gz GGTWDCNRNQMAOY-CQSZACIVSA-N 1 0 335.379 2.789 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765798722 577078140 /nfs/dbraw/zinc/07/81/40/577078140.db2.gz BWSKBGLAIRSHSM-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000765847994 577082516 /nfs/dbraw/zinc/08/25/16/577082516.db2.gz DIHUZMUYDFTVMP-HOTGVXAUSA-N 1 0 332.331 2.881 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765971504 577093930 /nfs/dbraw/zinc/09/39/30/577093930.db2.gz KNLLJHFUXNESDZ-INIZCTEOSA-N 1 0 344.367 2.938 20 5 EFBDRO CC(C)(C)C[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766061218 577102963 /nfs/dbraw/zinc/10/29/63/577102963.db2.gz PDFVZCCARQPFCR-KRWDZBQOSA-N 1 0 335.448 2.950 20 5 EFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000766141531 577113851 /nfs/dbraw/zinc/11/38/51/577113851.db2.gz MYBJZZHSKQKRRU-ABAIWWIYSA-N 1 0 347.371 2.537 20 5 EFBDRO CC[C@H](C(=O)OCc1cc(OC)c(F)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000766207399 577121362 /nfs/dbraw/zinc/12/13/62/577121362.db2.gz NRPNBPZMSCQCDI-CYBMUJFWSA-N 1 0 342.367 2.906 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(C)(O)CC1 ZINC000766479890 577156859 /nfs/dbraw/zinc/15/68/59/577156859.db2.gz PSFHQFBRFLZOPG-POZPTJLLSA-N 1 0 335.404 2.595 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCNc1ncccn1)C1CC1 ZINC000766515751 577160360 /nfs/dbraw/zinc/16/03/60/577160360.db2.gz FZOXWDSLZYVGKC-INIZCTEOSA-N 1 0 341.415 2.798 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000766556225 577166467 /nfs/dbraw/zinc/16/64/67/577166467.db2.gz NKLLANIBUHSYFO-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767820008 577236358 /nfs/dbraw/zinc/23/63/58/577236358.db2.gz OLXHJFCFMITTMW-HKUYNNGSSA-N 1 0 344.411 2.901 20 5 EFBDRO C[N@H+](CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769116540 577336238 /nfs/dbraw/zinc/33/62/38/577336238.db2.gz SEHVPPAXJBNNEX-UHFFFAOYSA-N 1 0 348.330 2.728 20 5 EFBDRO C[N@H+](CCOC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769128925 577337260 /nfs/dbraw/zinc/33/72/60/577337260.db2.gz BIDGGXPMDQLYDE-UHFFFAOYSA-N 1 0 347.346 2.605 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000769139525 577338375 /nfs/dbraw/zinc/33/83/75/577338375.db2.gz IIHSLBAWLTXUJB-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769710626 577380345 /nfs/dbraw/zinc/38/03/45/577380345.db2.gz NHUAVHIIXZJIBN-ZDUSSCGKSA-N 1 0 348.447 2.807 20 5 EFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000769996440 577396958 /nfs/dbraw/zinc/39/69/58/577396958.db2.gz CFMHLVKFFYWZSX-JTQLQIEISA-N 1 0 326.784 2.806 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770011018 577397789 /nfs/dbraw/zinc/39/77/89/577397789.db2.gz YKACBMLXKZSELC-SNVBAGLBSA-N 1 0 326.784 2.712 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC[NH+]1CCCCC1 ZINC000770410903 577416282 /nfs/dbraw/zinc/41/62/82/577416282.db2.gz KNOAXPBBHZAOMT-UHFFFAOYSA-N 1 0 331.372 2.648 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000770689218 581126059 /nfs/dbraw/zinc/12/60/59/581126059.db2.gz PMVDYDYDYOAZIX-MOPGFXCFSA-N 1 0 340.379 2.760 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771187268 581185529 /nfs/dbraw/zinc/18/55/29/581185529.db2.gz DHHDKXFLZJCWRV-UHFFFAOYSA-N 1 0 346.475 2.898 20 5 EFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772688172 581355936 /nfs/dbraw/zinc/35/59/36/581355936.db2.gz CKNPJXYONJWEGV-UHFFFAOYSA-N 1 0 347.371 2.595 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(F)n3)CC2)cc1 ZINC000773090419 581395853 /nfs/dbraw/zinc/39/58/53/581395853.db2.gz TWEAYUCJDOMGBO-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2ccc(F)cc2)n1 ZINC000774115890 581484093 /nfs/dbraw/zinc/48/40/93/581484093.db2.gz KURBOBFWQXPMTJ-OAGGEKHMSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2cccc(F)c2)n1 ZINC000774148157 581485609 /nfs/dbraw/zinc/48/56/09/581485609.db2.gz PSTWNTBDIPQXLM-ARFHVFGLSA-N 1 0 348.378 2.737 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CSCCS2)n1 ZINC000774220431 581487487 /nfs/dbraw/zinc/48/74/87/581487487.db2.gz YJJSRNOCTAIGKP-FRRDWIJNSA-N 1 0 342.490 2.713 20 5 EFBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774231974 581487680 /nfs/dbraw/zinc/48/76/80/581487680.db2.gz JZJZYMUOALHHKQ-KBXIAJHMSA-N 1 0 348.403 2.970 20 5 EFBDRO Cc1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000774257529 581488238 /nfs/dbraw/zinc/48/82/38/581488238.db2.gz NTAMLXACZXZZOE-YESZJQIVSA-N 1 0 344.415 2.907 20 5 EFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774492922 581492621 /nfs/dbraw/zinc/49/26/21/581492621.db2.gz YNKSYFSOTLKDKQ-BRWVUGGUSA-N 1 0 344.415 2.907 20 5 EFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@H]([NH+]4CCCC4)C3)c2c(Cl)c1 ZINC000774626863 581495613 /nfs/dbraw/zinc/49/56/13/581495613.db2.gz LEKANBQZXYOORA-ZDUSSCGKSA-N 1 0 349.822 2.726 20 5 EFBDRO CCN(CCCNC(=O)c1ccc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001752166430 1249322046 /nfs/dbraw/zinc/32/20/46/1249322046.db2.gz ZFOYPHPIAXNUES-UHFFFAOYSA-N 1 0 336.417 2.626 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCCC2)CC1 ZINC001752433409 1249631239 /nfs/dbraw/zinc/63/12/39/1249631239.db2.gz IZAFWAFHPXESCA-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000733800051 1265434619 /nfs/dbraw/zinc/43/46/19/1265434619.db2.gz DOQFSGXEGAPJKF-HNNXBMFYSA-N 1 0 339.823 2.985 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733868561 1265449805 /nfs/dbraw/zinc/44/98/05/1265449805.db2.gz MCCJQKDXGJTKFB-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000850400288 1250467416 /nfs/dbraw/zinc/46/74/16/1250467416.db2.gz FATZYTXGCRSHNL-MRXNPFEDSA-N 1 0 342.823 2.906 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850422833 1250480510 /nfs/dbraw/zinc/48/05/10/1250480510.db2.gz FCLYWAWKWHROOA-LBPRGKRZSA-N 1 0 343.383 2.814 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000850424400 1250480975 /nfs/dbraw/zinc/48/09/75/1250480975.db2.gz JSQCXLDFKNVYQC-LBPRGKRZSA-N 1 0 336.388 2.940 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000850430727 1250482721 /nfs/dbraw/zinc/48/27/21/1250482721.db2.gz UDVSIKANEGGXEV-NSHDSACASA-N 1 0 339.392 2.779 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850503147 1250512521 /nfs/dbraw/zinc/51/25/21/1250512521.db2.gz UQBLVBSMAYQMJM-UIUJZNGJSA-N 1 0 325.434 2.517 20 5 EFBDRO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850538370 1250528072 /nfs/dbraw/zinc/52/80/72/1250528072.db2.gz ZOGJWBAXOPVDQJ-QMTHXVAHSA-N 1 0 331.347 2.970 20 5 EFBDRO CCCN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850557871 1250535383 /nfs/dbraw/zinc/53/53/83/1250535383.db2.gz ZOKHJZMOYWOPCL-INIZCTEOSA-N 1 0 332.448 2.638 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466486 1251013819 /nfs/dbraw/zinc/01/38/19/1251013819.db2.gz UAFHQCSCVDLQQJ-GOSISDBHSA-N 1 0 340.379 2.955 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000824999608 1266983631 /nfs/dbraw/zinc/98/36/31/1266983631.db2.gz QRQIBIZYIXLPCK-SECBINFHSA-N 1 0 331.775 2.846 20 5 EFBDRO O=C(CC[NH+]1CCCCC1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107220143 1255377182 /nfs/dbraw/zinc/37/71/82/1255377182.db2.gz HOOPNYBIDPNOCU-SNAWJCMRSA-N 1 0 346.431 2.555 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CCCC[NH+](C)C)c1 ZINC001107268981 1255485867 /nfs/dbraw/zinc/48/58/67/1255485867.db2.gz FWSJAGPQBZPPHZ-WAYWQWQTSA-N 1 0 348.447 2.719 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107391472 1255724914 /nfs/dbraw/zinc/72/49/14/1255724914.db2.gz ILSDCMORDQUFSJ-FPLPWBNLSA-N 1 0 348.447 2.718 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1(C2CC2)CC1 ZINC000996701170 1255772152 /nfs/dbraw/zinc/77/21/52/1255772152.db2.gz AKJOXEXSJBCJNC-UHFFFAOYSA-N 1 0 349.456 2.927 20 5 EFBDRO CC(C)(C(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001107463194 1255902895 /nfs/dbraw/zinc/90/28/95/1255902895.db2.gz FLZJNQFQKXKKOD-ARJAWSKDSA-N 1 0 346.431 2.554 20 5 EFBDRO Cc1c(F)cccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127823267 1256404664 /nfs/dbraw/zinc/40/46/64/1256404664.db2.gz VWCKKXIAPHMVIC-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996917876 1256466391 /nfs/dbraw/zinc/46/63/91/1256466391.db2.gz QDLYTZWXYLAXJF-WDNDVIMCSA-N 1 0 349.456 2.783 20 5 EFBDRO CCC1(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000996958866 1256589404 /nfs/dbraw/zinc/58/94/04/1256589404.db2.gz WKNWBFXXVQNNFL-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1sccc1Cl ZINC001127851164 1256633395 /nfs/dbraw/zinc/63/33/95/1256633395.db2.gz VJMRCHBMNAUUDF-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO O=C(N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CCC1 ZINC000997023760 1256693281 /nfs/dbraw/zinc/69/32/81/1256693281.db2.gz XTPFVULZWHJBKY-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO COc1nc(C)c(N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168548536 1257125473 /nfs/dbraw/zinc/12/54/73/1257125473.db2.gz HSSWPACTODLUNO-GFCCVEGCSA-N 1 0 328.372 2.891 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(N(C)C)cc[nH+]1 ZINC000922479451 1266114264 /nfs/dbraw/zinc/11/42/64/1266114264.db2.gz VQTFRRXSDVPKIH-UHFFFAOYSA-N 1 0 330.388 2.744 20 5 EFBDRO O=C(CC1CC1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997463900 1257597192 /nfs/dbraw/zinc/59/71/92/1257597192.db2.gz KAHJTJSTVZHAAT-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO O=C(c1ccco1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997474038 1257713909 /nfs/dbraw/zinc/71/39/09/1257713909.db2.gz AQFPAQXNLFPFOB-UHFFFAOYSA-N 1 0 343.383 2.830 20 5 EFBDRO O=C(C1CC=CC1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997638651 1258142817 /nfs/dbraw/zinc/14/28/17/1258142817.db2.gz UEJWTIHXPIYBIM-UHFFFAOYSA-N 1 0 349.456 2.951 20 5 EFBDRO COC1CCC(Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)CC1 ZINC001168609177 1258637766 /nfs/dbraw/zinc/63/77/66/1258637766.db2.gz ZKQNLTLGFJDOEJ-UHFFFAOYSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000922538068 1266218998 /nfs/dbraw/zinc/21/89/98/1266218998.db2.gz ORBRVYIKXSIYDY-SECBINFHSA-N 1 0 339.193 2.942 20 5 EFBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000710874873 1259882039 /nfs/dbraw/zinc/88/20/39/1259882039.db2.gz KTSSSTXUHHTPCS-UHFFFAOYSA-N 1 0 335.404 2.594 20 5 EFBDRO CC[NH+](CC)CC(=O)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089944636 1261011098 /nfs/dbraw/zinc/01/10/98/1261011098.db2.gz YVARVDGWGIJASD-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923331728 1261507934 /nfs/dbraw/zinc/50/79/34/1261507934.db2.gz MVXLMUDAJHTKCI-CQSZACIVSA-N 1 0 340.221 2.543 20 5 EFBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000923421358 1261644857 /nfs/dbraw/zinc/64/48/57/1261644857.db2.gz NDRGTNBXERDYJI-NEPJUHHUSA-N 1 0 328.210 2.573 20 5 EFBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000922640260 1266514012 /nfs/dbraw/zinc/51/40/12/1266514012.db2.gz RRNOXUNODRXDLF-HNNXBMFYSA-N 1 0 343.383 2.955 20 5 EFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000843151674 1262924142 /nfs/dbraw/zinc/92/41/42/1262924142.db2.gz AUNGQJLPQZFIPS-CYBMUJFWSA-N 1 0 329.316 2.554 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164462791 1263094730 /nfs/dbraw/zinc/09/47/30/1263094730.db2.gz UKROOGDRQGJELV-NXEZZACHSA-N 1 0 335.795 2.755 20 5 EFBDRO Cc1cccc(C)c1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128396267 1264590090 /nfs/dbraw/zinc/59/00/90/1264590090.db2.gz XJYJHJTYGZDCMA-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000735309468 1267275609 /nfs/dbraw/zinc/27/56/09/1267275609.db2.gz FIYRDIAEHUXXME-UHFFFAOYSA-N 1 0 326.400 2.874 20 5 EFBDRO CN(C(=O)C1CCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005033762 1268414764 /nfs/dbraw/zinc/41/47/64/1268414764.db2.gz HEEWOLRVODONCX-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CC[C@@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738257898 1268418741 /nfs/dbraw/zinc/41/87/41/1268418741.db2.gz ZCXQSOSGPRTFBN-GFCCVEGCSA-N 1 0 331.372 2.660 20 5 EFBDRO CN(C(=O)CC1CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005042868 1268438573 /nfs/dbraw/zinc/43/85/73/1268438573.db2.gz KMLKNAJAOHGCLA-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000738522387 1268470960 /nfs/dbraw/zinc/47/09/60/1268470960.db2.gz JYMMNOCZUUUFOO-UHFFFAOYSA-N 1 0 333.413 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000739447084 1268691322 /nfs/dbraw/zinc/69/13/22/1268691322.db2.gz ASBXTCRHDAAQHJ-CYBMUJFWSA-N 1 0 334.445 2.709 20 5 EFBDRO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740860004 1269137718 /nfs/dbraw/zinc/13/77/18/1269137718.db2.gz OFIQRTUKVZYUHQ-NUEKZKHPSA-N 1 0 336.436 2.891 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C ZINC000740870220 1269144787 /nfs/dbraw/zinc/14/47/87/1269144787.db2.gz BJOTZNKBTZBAAT-JSGCOSHPSA-N 1 0 346.431 2.789 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccccn21 ZINC000737414400 1269291349 /nfs/dbraw/zinc/29/13/49/1269291349.db2.gz XESFEDFYBRKFSD-AWEZNQCLSA-N 1 0 329.404 2.697 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](CCO)C1CC1 ZINC000741258903 1269445321 /nfs/dbraw/zinc/44/53/21/1269445321.db2.gz QVVBKXXWRVLVDB-GFCCVEGCSA-N 1 0 329.194 2.608 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC001086010108 1269506823 /nfs/dbraw/zinc/50/68/23/1269506823.db2.gz NPAGGTPEABKJQG-VDISTLRHSA-N 1 0 337.445 2.831 20 5 EFBDRO Cc1occc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086024353 1269561897 /nfs/dbraw/zinc/56/18/97/1269561897.db2.gz OTHQSEZHZPGXBD-BJHJDKERSA-N 1 0 349.412 2.856 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC001086029051 1269586064 /nfs/dbraw/zinc/58/60/64/1269586064.db2.gz RXCNSEHAOVAFAA-GSJFWJNXSA-N 1 0 335.385 2.548 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086075035 1269799586 /nfs/dbraw/zinc/79/95/86/1269799586.db2.gz RZIFREHNVPGVQK-OTVXOJSOSA-N 1 0 342.399 2.530 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000742239976 1269950589 /nfs/dbraw/zinc/95/05/89/1269950589.db2.gz PFLXGFJZZVBFOE-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086169494 1270320274 /nfs/dbraw/zinc/32/02/74/1270320274.db2.gz OOSPZKAUOZPTAK-BJHJDKERSA-N 1 0 349.412 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c2nonc21 ZINC000742926929 1270321798 /nfs/dbraw/zinc/32/17/98/1270321798.db2.gz ZLKZDMMAEWYPHK-UHFFFAOYSA-N 1 0 345.403 2.833 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000825441865 1278550452 /nfs/dbraw/zinc/55/04/52/1278550452.db2.gz ZFQKRNYPUNHWAQ-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743263864 1270496283 /nfs/dbraw/zinc/49/62/83/1270496283.db2.gz KNOMYTJDAMHNJK-VNQPRFMTSA-N 1 0 338.452 2.594 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1Cc2ccccc2C1 ZINC000743921067 1270811774 /nfs/dbraw/zinc/81/17/74/1270811774.db2.gz GXRHNFAISFTJRK-YFHOEESVSA-N 1 0 337.379 2.740 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccs1 ZINC001086297457 1270868939 /nfs/dbraw/zinc/86/89/39/1270868939.db2.gz GMOPJPZJAAARRD-MQMHXKEQSA-N 1 0 345.424 2.955 20 5 EFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001086296059 1270877790 /nfs/dbraw/zinc/87/77/90/1270877790.db2.gz QFWUFGLOYTZCCU-JCNLHEQBSA-N 1 0 339.395 2.893 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001086347342 1271096015 /nfs/dbraw/zinc/09/60/15/1271096015.db2.gz ADZWFDDPBITIHF-KOMQPUFPSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)co1 ZINC001086347420 1271097153 /nfs/dbraw/zinc/09/71/53/1271097153.db2.gz FCHIFYGUAUMFSF-YEORSEQZSA-N 1 0 349.412 2.856 20 5 EFBDRO Cc1cocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086448701 1271525578 /nfs/dbraw/zinc/52/55/78/1271525578.db2.gz QQUGTQCUUCNTRJ-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001086453745 1271549309 /nfs/dbraw/zinc/54/93/09/1271549309.db2.gz AXVPCLYPVLJXSN-SHTZXODSSA-N 1 0 343.383 2.794 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171095120 1278645076 /nfs/dbraw/zinc/64/50/76/1278645076.db2.gz KMVVMTMDVATGGA-LLVKDONJSA-N 1 0 337.383 2.791 20 5 EFBDRO COc1ncc([N+](=O)[O-])cc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171095837 1278648254 /nfs/dbraw/zinc/64/82/54/1278648254.db2.gz UJRGVBQCSUCVDN-LLVKDONJSA-N 1 0 338.367 2.758 20 5 EFBDRO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000746118864 1271795869 /nfs/dbraw/zinc/79/58/69/1271795869.db2.gz HIOIVUFBAZQPOJ-UHFFFAOYSA-N 1 0 339.395 2.901 20 5 EFBDRO Cc1ncn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1CSCC[NH3+] ZINC001168787211 1272273594 /nfs/dbraw/zinc/27/35/94/1272273594.db2.gz BNCLTYSJZRGGHI-UHFFFAOYSA-N 1 0 331.401 2.762 20 5 EFBDRO O=C(CC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034575993 1272319610 /nfs/dbraw/zinc/31/96/10/1272319610.db2.gz GMGAAFLBBFQNRW-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(CC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034577046 1272320748 /nfs/dbraw/zinc/32/07/48/1272320748.db2.gz YELRFKBDZKRLPY-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001034577523 1272322478 /nfs/dbraw/zinc/32/24/78/1272322478.db2.gz LUPFDAIJTBVLKQ-HDJSIYSDSA-N 1 0 337.445 2.973 20 5 EFBDRO CN(CC(F)F)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000746483236 1272408225 /nfs/dbraw/zinc/40/82/25/1272408225.db2.gz UEVPMUBOYILVAZ-UHFFFAOYSA-N 1 0 343.374 2.635 20 5 EFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168823040 1272424906 /nfs/dbraw/zinc/42/49/06/1272424906.db2.gz YZFUVKSAQPDBOR-JTQLQIEISA-N 1 0 336.779 2.567 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168831138 1272432164 /nfs/dbraw/zinc/43/21/64/1272432164.db2.gz YTCHCWSWWKKVOA-UHFFFAOYSA-N 1 0 327.319 2.774 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001168835700 1272436012 /nfs/dbraw/zinc/43/60/12/1272436012.db2.gz CIEDYIFEWTXNHW-UHFFFAOYSA-N 1 0 342.277 2.985 20 5 EFBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001034651043 1272439973 /nfs/dbraw/zinc/43/99/73/1272439973.db2.gz ZPUBBKMUXRYOST-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001034651931 1272441918 /nfs/dbraw/zinc/44/19/18/1272441918.db2.gz SHKHGDWSBNXLOV-WKILWMFISA-N 1 0 342.399 2.754 20 5 EFBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168976267 1272546617 /nfs/dbraw/zinc/54/66/17/1272546617.db2.gz CDYPMNVSXKOWPX-ZWNOBZJWSA-N 1 0 330.306 2.923 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC001168979680 1272549626 /nfs/dbraw/zinc/54/96/26/1272549626.db2.gz ZJAXLMYLQQCJIC-DDTOSNHZSA-N 1 0 332.322 2.774 20 5 EFBDRO O=C(CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168983407 1272552693 /nfs/dbraw/zinc/55/26/93/1272552693.db2.gz JWENACDFCSVXDS-SJORKVTESA-N 1 0 334.416 2.935 20 5 EFBDRO O=C(CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168983404 1272552793 /nfs/dbraw/zinc/55/27/93/1272552793.db2.gz JWENACDFCSVXDS-IAGOWNOFSA-N 1 0 334.416 2.935 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001168957788 1272555405 /nfs/dbraw/zinc/55/54/05/1272555405.db2.gz ITZJQGRKJPLZIU-CMPLNLGQSA-N 1 0 333.310 2.558 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168958364 1272555630 /nfs/dbraw/zinc/55/56/30/1272555630.db2.gz NEMVVEKKDHMSPV-CABCVRRESA-N 1 0 341.452 2.669 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC001168961238 1272557007 /nfs/dbraw/zinc/55/70/07/1272557007.db2.gz IGTQEEOGTZAXOX-JTNHKYCSSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966488 1272559266 /nfs/dbraw/zinc/55/92/66/1272559266.db2.gz INFJKDWVTPPEBH-BYNSBNAKSA-N 1 0 341.452 2.857 20 5 EFBDRO COc1ccccc1CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965524 1272559282 /nfs/dbraw/zinc/55/92/82/1272559282.db2.gz AJUWFPVCPJNZIQ-QAPCUYQASA-N 1 0 347.459 2.695 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966491 1272559640 /nfs/dbraw/zinc/55/96/40/1272559640.db2.gz INFJKDWVTPPEBH-LXTVHRRPSA-N 1 0 341.452 2.857 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967888 1272559674 /nfs/dbraw/zinc/55/96/74/1272559674.db2.gz UJHIAOVYUJTRLQ-RBSFLKMASA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970414 1272560370 /nfs/dbraw/zinc/56/03/70/1272560370.db2.gz HBZNIBIDYTVDGG-TUVASFSCSA-N 1 0 341.452 2.667 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168991568 1272568077 /nfs/dbraw/zinc/56/80/77/1272568077.db2.gz HPMFHBGVDVMWEP-RDJZCZTQSA-N 1 0 348.443 2.778 20 5 EFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncccc1[N+](=O)[O-] ZINC001168993967 1272570207 /nfs/dbraw/zinc/57/02/07/1272570207.db2.gz OURFOXHQLDXRKC-UHFFFAOYSA-N 1 0 331.763 2.873 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001168992026 1272570870 /nfs/dbraw/zinc/57/08/70/1272570870.db2.gz JARSAEHTJYYMKA-PVAVHDDUSA-N 1 0 337.851 2.949 20 5 EFBDRO COc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996048 1272573258 /nfs/dbraw/zinc/57/32/58/1272573258.db2.gz UMNAMUKKMZGKFK-SJLPKXTDSA-N 1 0 347.459 2.695 20 5 EFBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168997179 1272573799 /nfs/dbraw/zinc/57/37/99/1272573799.db2.gz YCRRMFWQIJPGAT-GOEBONIOSA-N 1 0 334.416 2.736 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1 ZINC001168998436 1272574730 /nfs/dbraw/zinc/57/47/30/1272574730.db2.gz NAGNCQGAVWEATM-DKIMLUQUSA-N 1 0 345.443 2.763 20 5 EFBDRO COCCOc1c(F)cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001168998255 1272575635 /nfs/dbraw/zinc/57/56/35/1272575635.db2.gz KOHGBUDAGDVTNR-AAEUAGOBSA-N 1 0 344.358 2.525 20 5 EFBDRO O=C1CCCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169000218 1272577089 /nfs/dbraw/zinc/57/70/89/1272577089.db2.gz XBSWKMGXAHUFAK-HZPDHXFCSA-N 1 0 331.416 2.739 20 5 EFBDRO CC[C@]1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001169005881 1272580808 /nfs/dbraw/zinc/58/08/08/1272580808.db2.gz VMZPWZAAVLHWNI-CPUCHLNUSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006213 1272581734 /nfs/dbraw/zinc/58/17/34/1272581734.db2.gz WPMSWKKMKAKCPD-JKIFEVAISA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010108 1272582290 /nfs/dbraw/zinc/58/22/90/1272582290.db2.gz AZKGLYCUWGIXLN-KKUMJFAQSA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3nsc4ccccc43)CC2)C1 ZINC001169010654 1272582633 /nfs/dbraw/zinc/58/26/33/1272582633.db2.gz FGMOSTOCFCORQV-UONOGXRCSA-N 1 0 346.456 2.864 20 5 EFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010699 1272583524 /nfs/dbraw/zinc/58/35/24/1272583524.db2.gz FQIGSTQXFHQQHA-SJORKVTESA-N 1 0 334.416 2.887 20 5 EFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2CCCC[C@@H]12 ZINC001169010312 1272583624 /nfs/dbraw/zinc/58/36/24/1272583624.db2.gz CPIGGGCSZZNVED-UTSKFRMZSA-N 1 0 338.448 2.733 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169014367 1272584548 /nfs/dbraw/zinc/58/45/48/1272584548.db2.gz YTBJELDEZZMYRN-KEYYUXOJSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013780 1272584668 /nfs/dbraw/zinc/58/46/68/1272584668.db2.gz WJADUGNJFJVXEN-HUUCEWRRSA-N 1 0 341.452 2.669 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013401 1272585138 /nfs/dbraw/zinc/58/51/38/1272585138.db2.gz UUQXQNFANYIHBR-ZNMIVQPWSA-N 1 0 341.452 2.621 20 5 EFBDRO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012427 1272585540 /nfs/dbraw/zinc/58/55/40/1272585540.db2.gz QAKHLYNOILAQRJ-ZFWWWQNUSA-N 1 0 344.415 2.824 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011101 1272585671 /nfs/dbraw/zinc/58/56/71/1272585671.db2.gz IKOUXZVCGILBED-CBBWQLFWSA-N 1 0 339.436 2.516 20 5 EFBDRO Cc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988297 1272588465 /nfs/dbraw/zinc/58/84/65/1272588465.db2.gz QMYHNJQVTCSNIL-ZWNOBZJWSA-N 1 0 328.210 2.688 20 5 EFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1Br ZINC001168986768 1272588703 /nfs/dbraw/zinc/58/87/03/1272588703.db2.gz ZBGHMRXIIIHRQY-RYUDHWBXSA-N 1 0 343.221 2.993 20 5 EFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168988409 1272588755 /nfs/dbraw/zinc/58/87/55/1272588755.db2.gz RXSMBSFNLPRRJE-ZWNOBZJWSA-N 1 0 326.780 2.662 20 5 EFBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987869 1272589388 /nfs/dbraw/zinc/58/93/88/1272589388.db2.gz KZRGSBPYENKKDL-KBUPBQIOSA-N 1 0 341.452 2.809 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001169028491 1272592549 /nfs/dbraw/zinc/59/25/49/1272592549.db2.gz SRBAWJBYCFCDDE-NVXWUHKLSA-N 1 0 337.851 2.903 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001169028489 1272592733 /nfs/dbraw/zinc/59/27/33/1272592733.db2.gz SRBAWJBYCFCDDE-DOTOQJQBSA-N 1 0 337.851 2.903 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncc(Br)cc3C2)C1 ZINC001169034518 1272596236 /nfs/dbraw/zinc/59/62/36/1272596236.db2.gz GYCFLPMZCZGWAP-GXFFZTMASA-N 1 0 340.221 2.648 20 5 EFBDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033230 1272596606 /nfs/dbraw/zinc/59/66/06/1272596606.db2.gz BLVFFQGSEAYJDF-RBSFLKMASA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001169034035 1272596957 /nfs/dbraw/zinc/59/69/57/1272596957.db2.gz FFRYCTIVGDNROZ-YRXWBPOGSA-N 1 0 329.444 2.638 20 5 EFBDRO C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034537 1272597336 /nfs/dbraw/zinc/59/73/36/1272597336.db2.gz HLIOXBPYURRMTI-ILXRZTDVSA-N 1 0 341.452 2.621 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035624 1272598161 /nfs/dbraw/zinc/59/81/61/1272598161.db2.gz KWZDCEVOPLNIPT-UONOGXRCSA-N 1 0 341.452 2.811 20 5 EFBDRO CCOc1cccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169035573 1272599633 /nfs/dbraw/zinc/59/96/33/1272599633.db2.gz CEIFRBPAGXIVDF-RDJZCZTQSA-N 1 0 333.432 2.653 20 5 EFBDRO O=c1oc2ccccc2n1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035609 1272599644 /nfs/dbraw/zinc/59/96/44/1272599644.db2.gz KUSXCSHKTKWULM-ZFWWWQNUSA-N 1 0 345.399 2.677 20 5 EFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034950 1272599717 /nfs/dbraw/zinc/59/97/17/1272599717.db2.gz ITEBMNYOTUIHHO-KKUMJFAQSA-N 1 0 341.452 2.811 20 5 EFBDRO COc1cccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169035146 1272599865 /nfs/dbraw/zinc/59/98/65/1272599865.db2.gz ALGWZZOGQUEHHO-RHSMWYFYSA-N 1 0 333.432 2.699 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001169036064 1272602049 /nfs/dbraw/zinc/60/20/49/1272602049.db2.gz MVIGYNHVDUGJFX-ONGXEEELSA-N 1 0 348.325 2.713 20 5 EFBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169037541 1272603592 /nfs/dbraw/zinc/60/35/92/1272603592.db2.gz SEDOFOLAONWQEW-LJISPDSOSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC001169038330 1272605753 /nfs/dbraw/zinc/60/57/53/1272605753.db2.gz YDDUQFGHYPFUED-GXFFZTMASA-N 1 0 329.322 2.904 20 5 EFBDRO CN(C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(=O)OC(C)(C)C ZINC001169040005 1272610095 /nfs/dbraw/zinc/61/00/95/1272610095.db2.gz WTXSILUTTBJHPK-SOUVJXGZSA-N 1 0 341.452 2.621 20 5 EFBDRO CC1(C)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]12c1ccccc1OC2=O ZINC001169041063 1272610197 /nfs/dbraw/zinc/61/01/97/1272610197.db2.gz ARZYAGFKCGMWCT-LPMFXHHGSA-N 1 0 344.411 2.773 20 5 EFBDRO O=C1c2ccccc2CN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169041652 1272611960 /nfs/dbraw/zinc/61/19/60/1272611960.db2.gz BTUVIZGPEYRVLN-WMLDXEAASA-N 1 0 343.427 2.552 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041603 1272612943 /nfs/dbraw/zinc/61/29/43/1272612943.db2.gz BLEHFJISZGPSGN-QPSCCSFWSA-N 1 0 339.436 2.516 20 5 EFBDRO O=C(C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCCCC1 ZINC001169023837 1272619968 /nfs/dbraw/zinc/61/99/68/1272619968.db2.gz FPWWQAHGTADNHT-DOTOQJQBSA-N 1 0 337.464 2.546 20 5 EFBDRO Cc1ccc2nc(C3CC[NH+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)nn2c1 ZINC001169025365 1272621387 /nfs/dbraw/zinc/62/13/87/1272621387.db2.gz TZBSDAGDUSRTTP-HOCLYGCPSA-N 1 0 343.431 2.663 20 5 EFBDRO C[N@H+](Cc1cncc(Br)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025322 1272622343 /nfs/dbraw/zinc/62/23/43/1272622343.db2.gz YQBDYPCTVANBHS-GWCFXTLKSA-N 1 0 328.210 2.721 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001169026754 1272623603 /nfs/dbraw/zinc/62/36/03/1272623603.db2.gz NTMMYOJGUSZYQP-YJBOKZPZSA-N 1 0 326.400 2.924 20 5 EFBDRO CCOC[C@@H]1COCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026777 1272623800 /nfs/dbraw/zinc/62/38/00/1272623800.db2.gz NYJGMJYSORSUCX-GVDBMIGSSA-N 1 0 340.464 2.587 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C3(c4ccccc4)CC3)CC2)C1 ZINC001169045828 1272624211 /nfs/dbraw/zinc/62/42/11/1272624211.db2.gz KCNFKWBHXXPMGP-AEFFLSMTSA-N 1 0 329.444 2.739 20 5 EFBDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050437 1272629211 /nfs/dbraw/zinc/62/92/11/1272629211.db2.gz ZQOMYXMNKYKEON-HRCADAONSA-N 1 0 344.452 2.502 20 5 EFBDRO CN(C(=O)c1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169053219 1272630174 /nfs/dbraw/zinc/63/01/74/1272630174.db2.gz IJROAISQFBIYMQ-MAUKXSAKSA-N 1 0 345.443 2.668 20 5 EFBDRO [NH3+]Cc1nc(=O)[nH]n1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001168756874 1272686373 /nfs/dbraw/zinc/68/63/73/1272686373.db2.gz WXVZUEDQDLMYII-UHFFFAOYSA-N 1 0 342.362 2.681 20 5 EFBDRO CC1(C)C[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169136752 1272696685 /nfs/dbraw/zinc/69/66/85/1272696685.db2.gz HNZMFOJNMMBBAM-YMTOWFKASA-N 1 0 327.816 2.994 20 5 EFBDRO CC1(C)C[C@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C[C@@](C)(C[NH3+])C1 ZINC001169142657 1272704082 /nfs/dbraw/zinc/70/40/82/1272704082.db2.gz NEBBFFNQGQLYKQ-MGPLVRAMSA-N 1 0 332.408 2.822 20 5 EFBDRO COc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001169146636 1272708632 /nfs/dbraw/zinc/70/86/32/1272708632.db2.gz WFVOYOMMURJVQZ-MEDUHNTESA-N 1 0 337.424 2.657 20 5 EFBDRO C[C@@H]([NH3+])c1ccn(-c2c(Br)cc(F)cc2[N+](=O)[O-])n1 ZINC001169231643 1272748312 /nfs/dbraw/zinc/74/83/12/1272748312.db2.gz OPIMIGONKPXFTG-ZCFIWIBFSA-N 1 0 329.129 2.702 20 5 EFBDRO C[C@@H]([NH3+])c1ccn(-c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001169234268 1272748899 /nfs/dbraw/zinc/74/88/99/1272748899.db2.gz WMUOVVXLBVIDSX-SNVBAGLBSA-N 1 0 332.360 2.756 20 5 EFBDRO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])c3cnccc32)c2cccnc12 ZINC001169707987 1273112004 /nfs/dbraw/zinc/11/20/04/1273112004.db2.gz FCDFMFPVRJNKFC-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO [NH3+]CCc1cn(-c2cc3cccnc3c([N+](=O)[O-])c2)c2cccnc12 ZINC001169711400 1273113017 /nfs/dbraw/zinc/11/30/17/1273113017.db2.gz YJLLVKYFBQKZDH-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO CC(=O)N1CCc2cc(NC(C)(C)CC[NH+](C)C)cc([N+](=O)[O-])c21 ZINC001169717976 1273118251 /nfs/dbraw/zinc/11/82/51/1273118251.db2.gz LGWYNTMXYDAPNF-UHFFFAOYSA-N 1 0 334.420 2.646 20 5 EFBDRO CCOC(=O)c1ccc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001169802341 1273162010 /nfs/dbraw/zinc/16/20/10/1273162010.db2.gz MZFPJAKYACKBRR-UHFFFAOYSA-N 1 0 333.388 2.669 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(NCC34CC[NH+](CC3)CC4)nn2)c1 ZINC001169795014 1273170708 /nfs/dbraw/zinc/17/07/08/1273170708.db2.gz BRRUGJNFYQBZMO-UHFFFAOYSA-N 1 0 339.399 2.950 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000804344504 1273328549 /nfs/dbraw/zinc/32/85/49/1273328549.db2.gz UKHKDKMHETUGAW-AWEZNQCLSA-N 1 0 339.823 2.939 20 5 EFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000844147409 1278775153 /nfs/dbraw/zinc/77/51/53/1278775153.db2.gz WLQRTNZGRPKJKO-LBPRGKRZSA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccccc1[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000844160878 1278790898 /nfs/dbraw/zinc/79/08/98/1278790898.db2.gz NMUGMDBBPBLHJJ-KRWDZBQOSA-N 1 0 341.367 2.501 20 5 EFBDRO O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c[nH+]cn2c1 ZINC000792546718 1278838887 /nfs/dbraw/zinc/83/88/87/1278838887.db2.gz PHCQNZJMPJCBES-UHFFFAOYSA-N 1 0 338.279 2.741 20 5 EFBDRO Cc1cc(NCCCN(C)C(=O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001109463376 1274307706 /nfs/dbraw/zinc/30/77/06/1274307706.db2.gz DVUHDFMLPGLFLN-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001035704637 1274381101 /nfs/dbraw/zinc/38/11/01/1274381101.db2.gz VOGBPYWAKQIXOO-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001109652870 1274522421 /nfs/dbraw/zinc/52/24/21/1274522421.db2.gz FWMMOZYJMODLGK-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])c(OC)n1 ZINC001156905800 1274676717 /nfs/dbraw/zinc/67/67/17/1274676717.db2.gz ZOASRZFYJHQQIM-UHFFFAOYSA-N 1 0 325.413 2.708 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2c1 ZINC001170023655 1274687634 /nfs/dbraw/zinc/68/76/34/1274687634.db2.gz KHDWIIKGSUIOAU-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792571860 1278897516 /nfs/dbraw/zinc/89/75/16/1278897516.db2.gz LHDNAHTVEWFOES-UHFFFAOYSA-N 1 0 327.296 2.608 20 5 EFBDRO CSc1nc(Cl)nc(N2CC[C@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157010517 1274990583 /nfs/dbraw/zinc/99/05/83/1274990583.db2.gz RBFGRYSIUDSHNJ-VIFPVBQESA-N 1 0 345.856 2.679 20 5 EFBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)cc1[N+](=O)[O-] ZINC000785808010 1275193920 /nfs/dbraw/zinc/19/39/20/1275193920.db2.gz WMKCNYUQFCYMQH-NWDGAFQWSA-N 1 0 325.796 2.832 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc2ccccn21 ZINC000786810215 1275549792 /nfs/dbraw/zinc/54/97/92/1275549792.db2.gz SNDWKCVOMLCNAG-SDNWHVSQSA-N 1 0 337.383 2.873 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000786851982 1275557273 /nfs/dbraw/zinc/55/72/73/1275557273.db2.gz DPOIAMSKFTXUMB-OAHLLOKOSA-N 1 0 328.368 2.957 20 5 EFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000787114577 1275654920 /nfs/dbraw/zinc/65/49/20/1275654920.db2.gz LBHMAFRFJUQXIK-UHFFFAOYSA-N 1 0 332.335 2.630 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086552633 1275743938 /nfs/dbraw/zinc/74/39/38/1275743938.db2.gz WNWZIPMFRJPXES-AULYBMBSSA-N 1 0 348.428 2.591 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C23CCC(O)(CC2)CC3)c([N+](=O)[O-])c1 ZINC001170306226 1278976651 /nfs/dbraw/zinc/97/66/51/1278976651.db2.gz SJXZKHPCHWBJOM-TZYSRNFLSA-N 1 0 334.416 2.962 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294552 1278979548 /nfs/dbraw/zinc/97/95/48/1278979548.db2.gz AVEJFWWFQMELBZ-YVEFUNNKSA-N 1 0 348.374 2.997 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157265269 1275859606 /nfs/dbraw/zinc/85/96/06/1275859606.db2.gz IKOVYZXZWQTZJE-KCJUWKMLSA-N 1 0 331.203 2.827 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2cccnc2)c([N+](=O)[O-])c1 ZINC001170304315 1278989063 /nfs/dbraw/zinc/98/90/63/1278989063.db2.gz BJLKTIOJBAEBKN-ZDUSSCGKSA-N 1 0 331.372 2.598 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170304724 1278990132 /nfs/dbraw/zinc/99/01/32/1278990132.db2.gz GGWVSMZYKFQPNE-SGTLLEGYSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170304723 1278990142 /nfs/dbraw/zinc/99/01/42/1278990142.db2.gz GGWVSMZYKFQPNE-KZULUSFZSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305374 1278991885 /nfs/dbraw/zinc/99/18/85/1278991885.db2.gz JVDUHBUJYFLPAF-ZDUSSCGKSA-N 1 0 343.383 2.763 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277880 1278993264 /nfs/dbraw/zinc/99/32/64/1278993264.db2.gz UETYWNABUPMGMB-CKEIUWERSA-N 1 0 337.420 2.657 20 5 EFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3ccccc3c([N+](=O)[O-])c2)O1 ZINC001170280038 1278994524 /nfs/dbraw/zinc/99/45/24/1278994524.db2.gz SLZAFHKIUZFCHT-KZNAEPCWSA-N 1 0 345.399 2.885 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788121600 1276043028 /nfs/dbraw/zinc/04/30/28/1276043028.db2.gz RQCFAWVBQKYZDN-UKRRQHHQSA-N 1 0 343.383 2.789 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OC)n2)c([N+](=O)[O-])c1 ZINC001170312231 1279008018 /nfs/dbraw/zinc/00/80/18/1279008018.db2.gz FJDVUJZSSVPNHL-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507579 1276203934 /nfs/dbraw/zinc/20/39/34/1276203934.db2.gz PQGKCQKFTZQSHD-LBPRGKRZSA-N 1 0 325.372 2.718 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170318683 1279012012 /nfs/dbraw/zinc/01/20/12/1279012012.db2.gz ROHLUNVVSQDGLQ-CJNGLKHVSA-N 1 0 333.432 2.608 20 5 EFBDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788568365 1276228521 /nfs/dbraw/zinc/22/85/21/1276228521.db2.gz CYWRCCMHSIPQJA-GFCCVEGCSA-N 1 0 325.372 2.878 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319653 1279012756 /nfs/dbraw/zinc/01/27/56/1279012756.db2.gz XXVBOSLASOVXSB-YOEHRIQHSA-N 1 0 347.459 2.998 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630302 1276249492 /nfs/dbraw/zinc/24/94/92/1276249492.db2.gz ZWNZHVNOBONPFW-YPMHNXCESA-N 1 0 345.378 2.641 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665104 1276263898 /nfs/dbraw/zinc/26/38/98/1276263898.db2.gz MQFFYYWBLDMFKK-GFCCVEGCSA-N 1 0 346.387 2.549 20 5 EFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665108 1276263901 /nfs/dbraw/zinc/26/39/01/1276263901.db2.gz MQFFYYWBLDMFKK-LBPRGKRZSA-N 1 0 346.387 2.549 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001170327456 1279018071 /nfs/dbraw/zinc/01/80/71/1279018071.db2.gz ROLBDVKWFLNXGJ-AWEZNQCLSA-N 1 0 344.411 2.859 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170328053 1279019547 /nfs/dbraw/zinc/01/95/47/1279019547.db2.gz UIHKAFMPJMDRKX-SJCJKPOMSA-N 1 0 346.383 2.563 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788780084 1276322629 /nfs/dbraw/zinc/32/26/29/1276322629.db2.gz AZYBUJSVVPJPHD-WDEREUQCSA-N 1 0 338.408 2.741 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccncc2)c([N+](=O)[O-])c1 ZINC001170329252 1279020000 /nfs/dbraw/zinc/02/00/00/1279020000.db2.gz YJEMIZMNQHDQQF-ZDUSSCGKSA-N 1 0 331.372 2.598 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827557 1276341105 /nfs/dbraw/zinc/34/11/05/1276341105.db2.gz MNBFKHISDOUUEW-LLVKDONJSA-N 1 0 325.372 2.947 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330408 1279020939 /nfs/dbraw/zinc/02/09/39/1279020939.db2.gz MHCOUUHHGMZSMC-PHZGNYQRSA-N 1 0 339.399 2.992 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817909629 1276370662 /nfs/dbraw/zinc/37/06/62/1276370662.db2.gz WPXACUAPKDLIHI-YGRLFVJLSA-N 1 0 325.796 2.595 20 5 EFBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817909627 1276371093 /nfs/dbraw/zinc/37/10/93/1276371093.db2.gz WPXACUAPKDLIHI-IINYFYTJSA-N 1 0 325.796 2.595 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817975636 1276415385 /nfs/dbraw/zinc/41/53/85/1276415385.db2.gz XEYHNUYUXRHFKV-SJKOYZFVSA-N 1 0 326.400 2.715 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817975634 1276416042 /nfs/dbraw/zinc/41/60/42/1276416042.db2.gz XEYHNUYUXRHFKV-PXAZEXFGSA-N 1 0 326.400 2.715 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170309214 1279031554 /nfs/dbraw/zinc/03/15/54/1279031554.db2.gz PLFCFAZJBIVXCJ-KZULUSFZSA-N 1 0 346.383 2.563 20 5 EFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC001170353090 1279032300 /nfs/dbraw/zinc/03/23/00/1279032300.db2.gz VOYJRCUODOTXSU-SMDDNHRTSA-N 1 0 346.387 2.715 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C2(C(N)=O)CCCCCC2)c([N+](=O)[O-])c1 ZINC001170310013 1279032409 /nfs/dbraw/zinc/03/24/09/1279032409.db2.gz VQVUDNQUBNOUTD-ZDUSSCGKSA-N 1 0 349.431 2.702 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000818474114 1276529216 /nfs/dbraw/zinc/52/92/16/1276529216.db2.gz CHAJTTFMILMABP-QXMXGUDHSA-N 1 0 335.429 2.558 20 5 EFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000818473365 1276529238 /nfs/dbraw/zinc/52/92/38/1276529238.db2.gz GEZNDWDHFQHQFF-YHWZYXNKSA-N 1 0 329.356 2.825 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000818555271 1276533062 /nfs/dbraw/zinc/53/30/62/1276533062.db2.gz WCSDYFYOHRUWKB-ZDUSSCGKSA-N 1 0 325.796 2.886 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000818957008 1276558799 /nfs/dbraw/zinc/55/87/99/1276558799.db2.gz PSDDFZNKZOGCKP-KBXCAEBGSA-N 1 0 329.400 2.743 20 5 EFBDRO CCN(CC)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000818980911 1276562639 /nfs/dbraw/zinc/56/26/39/1276562639.db2.gz PDHUMLBEIPHAMV-SJORKVTESA-N 1 0 347.415 2.894 20 5 EFBDRO CCCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991184 1276564741 /nfs/dbraw/zinc/56/47/41/1276564741.db2.gz YLOCNZCQTIJDJK-QZTJIDSGSA-N 1 0 335.448 2.872 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000818991148 1276564933 /nfs/dbraw/zinc/56/49/33/1276564933.db2.gz XPAFINCMMAGTNU-KRWDZBQOSA-N 1 0 343.383 2.602 20 5 EFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818970330 1276573736 /nfs/dbraw/zinc/57/37/36/1276573736.db2.gz MVYXGXSNSQFITO-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818970329 1276574310 /nfs/dbraw/zinc/57/43/10/1276574310.db2.gz MVYXGXSNSQFITO-KSSFIOAISA-N 1 0 330.384 2.994 20 5 EFBDRO CCCOc1ncccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818976520 1276574925 /nfs/dbraw/zinc/57/49/25/1276574925.db2.gz HWUJMQCOQIBKKG-MRXNPFEDSA-N 1 0 331.372 2.602 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974078 1276575242 /nfs/dbraw/zinc/57/52/42/1276575242.db2.gz CXXZLMBCXAOBEN-JTOWHCCKSA-N 1 0 335.448 2.584 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974076 1276576151 /nfs/dbraw/zinc/57/61/51/1276576151.db2.gz CXXZLMBCXAOBEN-BASYENTBSA-N 1 0 335.448 2.584 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000819045865 1276578648 /nfs/dbraw/zinc/57/86/48/1276578648.db2.gz JPPRDMOMGJSLDG-MRXNPFEDSA-N 1 0 336.775 2.950 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000819045699 1276580345 /nfs/dbraw/zinc/58/03/45/1276580345.db2.gz GXKHCDGVAXOGCN-HNNXBMFYSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000819048654 1276581539 /nfs/dbraw/zinc/58/15/39/1276581539.db2.gz OEPNFPFMYHBXNH-HZPDHXFCSA-N 1 0 332.331 2.881 20 5 EFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000819097616 1276605285 /nfs/dbraw/zinc/60/52/85/1276605285.db2.gz KRBMFSDTWNJANV-QGZVFWFLSA-N 1 0 330.384 2.778 20 5 EFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000819097908 1276606355 /nfs/dbraw/zinc/60/63/55/1276606355.db2.gz QTIFMMJXTQHDIB-QGZVFWFLSA-N 1 0 330.384 2.778 20 5 EFBDRO C[C@H](O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000819132223 1276622068 /nfs/dbraw/zinc/62/20/68/1276622068.db2.gz UASZAPMBCFDCDL-ZDUSSCGKSA-N 1 0 343.383 2.767 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819111242 1276634449 /nfs/dbraw/zinc/63/44/49/1276634449.db2.gz MYZCAARDXIKGDG-SJKOYZFVSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819110814 1276634823 /nfs/dbraw/zinc/63/48/23/1276634823.db2.gz JOTXGAXHYRFWKG-SJCJKPOMSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819112678 1276637044 /nfs/dbraw/zinc/63/70/44/1276637044.db2.gz HMLYNOWTFFUZEN-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819117570 1276637642 /nfs/dbraw/zinc/63/76/42/1276637642.db2.gz JVSVEQWGGVRCPY-FZKQIMNGSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819116484 1276637784 /nfs/dbraw/zinc/63/77/84/1276637784.db2.gz ZEUNLAYKLFPEDC-YOEHRIQHSA-N 1 0 330.384 2.994 20 5 EFBDRO COc1cccc(O[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819114727 1276637931 /nfs/dbraw/zinc/63/79/31/1276637931.db2.gz XGUOONCDLLFMED-ACJLOTCBSA-N 1 0 346.383 2.694 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819182081 1276660564 /nfs/dbraw/zinc/66/05/64/1276660564.db2.gz HQLVBZQNOJYVFV-QAPCUYQASA-N 1 0 335.448 2.586 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000819251066 1276685197 /nfs/dbraw/zinc/68/51/97/1276685197.db2.gz AIWFSUQVPLZNIW-HOTGVXAUSA-N 1 0 332.331 2.881 20 5 EFBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819215825 1276692829 /nfs/dbraw/zinc/69/28/29/1276692829.db2.gz OCPONJUGXAYENA-SUMWQHHRSA-N 1 0 345.399 2.990 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000819222931 1276695701 /nfs/dbraw/zinc/69/57/01/1276695701.db2.gz BFDIMEJRDSYQFP-CQSZACIVSA-N 1 0 340.301 2.878 20 5 EFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819221484 1276695896 /nfs/dbraw/zinc/69/58/96/1276695896.db2.gz KXRZGQRBLNAKSO-LPHOPBHVSA-N 1 0 342.395 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000819267217 1276719640 /nfs/dbraw/zinc/71/96/40/1276719640.db2.gz SBTYQCDHNZQPIE-GOSISDBHSA-N 1 0 327.384 2.692 20 5 EFBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170773471 1287237436 /nfs/dbraw/zinc/23/74/36/1287237436.db2.gz HKCQPLVEICLGHH-SCLBCKFNSA-N 1 0 344.418 2.928 20 5 EFBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000819322396 1276726075 /nfs/dbraw/zinc/72/60/75/1276726075.db2.gz SFVRNVNKLLBYBP-WBVHZDCISA-N 1 0 348.424 2.767 20 5 EFBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000819322393 1276726464 /nfs/dbraw/zinc/72/64/64/1276726464.db2.gz SFVRNVNKLLBYBP-DOTOQJQBSA-N 1 0 348.424 2.767 20 5 EFBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819347837 1276736903 /nfs/dbraw/zinc/73/69/03/1276736903.db2.gz ODMDFQOUPGRRLD-ZWNOBZJWSA-N 1 0 349.214 2.508 20 5 EFBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819346087 1276737836 /nfs/dbraw/zinc/73/78/36/1276737836.db2.gz CUNGSSQOVWTVMD-DGCLKSJQSA-N 1 0 349.214 2.508 20 5 EFBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819352306 1276738907 /nfs/dbraw/zinc/73/89/07/1276738907.db2.gz LMTHVRGOQRRHKL-RCCFBDPRSA-N 1 0 328.368 2.783 20 5 EFBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000819321365 1276745921 /nfs/dbraw/zinc/74/59/21/1276745921.db2.gz GFJFXIPUJOOJHA-RDJZCZTQSA-N 1 0 328.368 2.530 20 5 EFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000819323273 1276747112 /nfs/dbraw/zinc/74/71/12/1276747112.db2.gz YTGWGPGDIROBJR-NVXWUHKLSA-N 1 0 348.424 2.767 20 5 EFBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819362004 1276756215 /nfs/dbraw/zinc/75/62/15/1276756215.db2.gz SIDXBYBNFUTWCL-XIKOKIGWSA-N 1 0 348.374 2.997 20 5 EFBDRO CC[C@H](C)N[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000819386564 1276766761 /nfs/dbraw/zinc/76/67/61/1276766761.db2.gz AXEQHCOXNIMTKN-XKQJLSEDSA-N 1 0 347.415 2.940 20 5 EFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820139561 1277042975 /nfs/dbraw/zinc/04/29/75/1277042975.db2.gz GXWFCECRVGQKHK-UHFFFAOYSA-N 1 0 343.387 2.847 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000711447934 1277170320 /nfs/dbraw/zinc/17/03/20/1277170320.db2.gz ODFRTCQRAFGCSG-OKILXGFUSA-N 1 0 335.404 2.988 20 5 EFBDRO COC(=O)CCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307212 1279030216 /nfs/dbraw/zinc/03/02/16/1279030216.db2.gz FJVHQRYEMHEDIB-CYBMUJFWSA-N 1 0 338.404 2.857 20 5 EFBDRO CC(C)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820619245 1277247273 /nfs/dbraw/zinc/24/72/73/1277247273.db2.gz FMSLBNHIHYNMAC-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2cccs2)c([N+](=O)[O-])c1 ZINC001170306474 1279028223 /nfs/dbraw/zinc/02/82/23/1279028223.db2.gz VVTZTHWTEDWYBG-RISCZKNCSA-N 1 0 336.413 2.919 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncccc2OC)c([N+](=O)[O-])c1 ZINC001170306525 1279028894 /nfs/dbraw/zinc/02/88/94/1279028894.db2.gz WWQFLXKAEPXCMZ-LBPRGKRZSA-N 1 0 331.372 2.728 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2cccs2)c([N+](=O)[O-])c1 ZINC001170306473 1279028981 /nfs/dbraw/zinc/02/89/81/1279028981.db2.gz VVTZTHWTEDWYBG-FZMZJTMJSA-N 1 0 336.413 2.919 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)c2cnccn2)c([N+](=O)[O-])c1 ZINC001170307585 1279029660 /nfs/dbraw/zinc/02/96/60/1279029660.db2.gz HTMMTEXYPUHZTC-ZDUSSCGKSA-N 1 0 344.415 2.892 20 5 EFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000820769705 1277304490 /nfs/dbraw/zinc/30/44/90/1277304490.db2.gz KHJPNUDAWCDXSF-HNNXBMFYSA-N 1 0 337.807 2.881 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000790235979 1277390511 /nfs/dbraw/zinc/39/05/11/1277390511.db2.gz CXUUYQCIRLTWCC-ZDUSSCGKSA-N 1 0 334.420 2.577 20 5 EFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC000821031928 1277406738 /nfs/dbraw/zinc/40/67/38/1277406738.db2.gz XSIIBVSNGFJGPD-JENIJYKNSA-N 1 0 343.427 2.643 20 5 EFBDRO C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000923271093 1277437199 /nfs/dbraw/zinc/43/71/99/1277437199.db2.gz KQANYOWVDOUROO-SCRDCRAPSA-N 1 0 335.379 2.533 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000923284168 1277460180 /nfs/dbraw/zinc/46/01/80/1277460180.db2.gz IPXDSCFQOYUODJ-GOEBONIOSA-N 1 0 331.416 2.568 20 5 EFBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC)C1CC[NH+](C)CC1 ZINC000821401495 1277536299 /nfs/dbraw/zinc/53/62/99/1277536299.db2.gz UXTGCUHVVVTDEN-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC[NH+]1CCCCC1 ZINC000790747225 1277757557 /nfs/dbraw/zinc/75/75/57/1277757557.db2.gz WLMGNWAYGGLJIF-UHFFFAOYSA-N 1 0 344.770 2.959 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790781244 1277770413 /nfs/dbraw/zinc/77/04/13/1277770413.db2.gz SXVBMZGJZLYFPD-CYBMUJFWSA-N 1 0 345.802 2.632 20 5 EFBDRO CN(CC(C)(C)CNc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001113427074 1277816126 /nfs/dbraw/zinc/81/61/26/1277816126.db2.gz ZPLMOSFUJLDVNM-UHFFFAOYSA-N 1 0 348.447 2.587 20 5 EFBDRO O=C(Cc1ccccc1F)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175106080 1287312027 /nfs/dbraw/zinc/31/20/27/1287312027.db2.gz PCPFTJGJIKCRAA-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO CN(CCCC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791130914 1277944907 /nfs/dbraw/zinc/94/49/07/1277944907.db2.gz WHYCARRRMQGDQG-UHFFFAOYSA-N 1 0 345.802 2.730 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170347973 1279054525 /nfs/dbraw/zinc/05/45/25/1279054525.db2.gz UETKHQUSCRPPQQ-CQSZACIVSA-N 1 0 335.448 2.951 20 5 EFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351435 1279056938 /nfs/dbraw/zinc/05/69/38/1279056938.db2.gz CFGWMSRXTFZSNA-ZDUSSCGKSA-N 1 0 348.399 2.564 20 5 EFBDRO COc1ccc(C[C@@H](C)n2c(C)nc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170351022 1279057835 /nfs/dbraw/zinc/05/78/35/1279057835.db2.gz DHPZSUDOHGMMMM-LLVKDONJSA-N 1 0 330.388 2.558 20 5 EFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nccc(N)c3[N+](=O)[O-])c2c1 ZINC001171169255 1279491969 /nfs/dbraw/zinc/49/19/69/1279491969.db2.gz YKIOOONTWPZEHM-LLVKDONJSA-N 1 0 325.372 2.714 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC3CCC3)CC2)cc1 ZINC000793323964 1279547810 /nfs/dbraw/zinc/54/78/10/1279547810.db2.gz VRMKJMBHNUPWJT-MRXNPFEDSA-N 1 0 333.432 2.704 20 5 EFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845466973 1279660657 /nfs/dbraw/zinc/66/06/57/1279660657.db2.gz DLLTUOLZRHNSJG-LLVKDONJSA-N 1 0 344.818 2.825 20 5 EFBDRO CS[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000845509352 1279691356 /nfs/dbraw/zinc/69/13/56/1279691356.db2.gz DRMMNCUWMGEBHS-QWHCGFSZSA-N 1 0 333.816 2.869 20 5 EFBDRO COc1ccc(CC(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845734143 1279806018 /nfs/dbraw/zinc/80/60/18/1279806018.db2.gz FTMFAEKWPUUDJX-CYBMUJFWSA-N 1 0 336.388 2.562 20 5 EFBDRO CSC[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793794718 1279875366 /nfs/dbraw/zinc/87/53/66/1279875366.db2.gz CJBKOMBZYXRYSN-ZDUSSCGKSA-N 1 0 347.444 2.886 20 5 EFBDRO CC[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccccc1C ZINC001171200204 1279877458 /nfs/dbraw/zinc/87/74/58/1279877458.db2.gz TZZFAXGMUPKTEN-CQSZACIVSA-N 1 0 327.388 2.943 20 5 EFBDRO [NH3+]CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846156707 1280040533 /nfs/dbraw/zinc/04/05/33/1280040533.db2.gz XPGTYVAZAZOLPY-UHFFFAOYSA-N 1 0 340.811 2.519 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)C(C)C ZINC000872017442 1287400438 /nfs/dbraw/zinc/40/04/38/1287400438.db2.gz BKJRBKWUYOHEHA-LLVKDONJSA-N 1 0 325.434 2.740 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCCC1CCC3(CC1)OCCO3)C[NH2+]C2 ZINC001171223948 1280148371 /nfs/dbraw/zinc/14/83/71/1280148371.db2.gz ZXKAMKQFZWNAKN-UHFFFAOYSA-N 1 0 347.415 2.933 20 5 EFBDRO CC(F)(F)C(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149209107 1280159791 /nfs/dbraw/zinc/15/97/91/1280159791.db2.gz SHVZMFVEDBXLIA-UHFFFAOYSA-N 1 0 335.376 2.544 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000872031987 1287407028 /nfs/dbraw/zinc/40/70/28/1287407028.db2.gz OSCRHGCAHIGKFY-JQWIXIFHSA-N 1 0 347.444 2.882 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804449926 1280227859 /nfs/dbraw/zinc/22/78/59/1280227859.db2.gz NGRATJDZQANCLX-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)o1 ZINC001149390460 1280233087 /nfs/dbraw/zinc/23/30/87/1280233087.db2.gz RQIVOPMPTFBGKC-UHFFFAOYSA-N 1 0 339.298 2.645 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000872050312 1287412302 /nfs/dbraw/zinc/41/23/02/1287412302.db2.gz YLZYIJIQOQAPTI-QWRGUYRKSA-N 1 0 335.429 2.731 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000872050310 1287412488 /nfs/dbraw/zinc/41/24/88/1287412488.db2.gz YLZYIJIQOQAPTI-GHMZBOCLSA-N 1 0 335.429 2.731 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815289268 1287413160 /nfs/dbraw/zinc/41/31/60/1287413160.db2.gz XKMMSCMSTUSFGY-HZPDHXFCSA-N 1 0 340.807 2.658 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846614698 1280323026 /nfs/dbraw/zinc/32/30/26/1280323026.db2.gz RPDGXDRHJFVGBY-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872066254 1287417565 /nfs/dbraw/zinc/41/75/65/1287417565.db2.gz LOKNDVXGURGPMJ-MNOVXSKESA-N 1 0 325.434 2.834 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846665970 1280385031 /nfs/dbraw/zinc/38/50/31/1280385031.db2.gz BDEMUGIJBPIBIY-LSDHHAIUSA-N 1 0 337.807 2.737 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872066714 1287418836 /nfs/dbraw/zinc/41/88/36/1287418836.db2.gz KRGNWHUJHSSRPW-FFKNIBCLSA-N 1 0 340.445 2.897 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(O)CCOCC1 ZINC000872070397 1287419440 /nfs/dbraw/zinc/41/94/40/1287419440.db2.gz UCXLXDTUBHEEDK-GFCCVEGCSA-N 1 0 340.445 2.899 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cscc1Cl ZINC001130003426 1280407767 /nfs/dbraw/zinc/40/77/67/1280407767.db2.gz FUKZBFHUCXSAHK-UHFFFAOYSA-N 1 0 345.833 2.891 20 5 EFBDRO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001091366440 1280411911 /nfs/dbraw/zinc/41/19/11/1280411911.db2.gz BVBYPBNEDCLXGP-GASCZTMLSA-N 1 0 348.447 2.552 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1cnn(C)n1 ZINC000872073805 1287420673 /nfs/dbraw/zinc/42/06/73/1287420673.db2.gz SLSPSFFRVYWFPP-NSHDSACASA-N 1 0 335.433 2.729 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091361034 1280430930 /nfs/dbraw/zinc/43/09/30/1280430930.db2.gz DCLJJOVBMNBHHB-FZNQNYSPSA-N 1 0 348.447 2.633 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091361177 1280431573 /nfs/dbraw/zinc/43/15/73/1280431573.db2.gz LDDCTAVUPOQELJ-GASCZTMLSA-N 1 0 348.447 2.633 20 5 EFBDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872078906 1287422243 /nfs/dbraw/zinc/42/22/43/1287422243.db2.gz DTMVNXIJBGLVPG-NSHDSACASA-N 1 0 346.474 2.792 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000872082977 1287423072 /nfs/dbraw/zinc/42/30/72/1287423072.db2.gz FJJAQBNQBPWGTR-LRDDRELGSA-N 1 0 340.445 2.899 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000872083576 1287423903 /nfs/dbraw/zinc/42/39/03/1287423903.db2.gz NGNBZQNSFPRMRO-GHMZBOCLSA-N 1 0 347.444 2.653 20 5 EFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCCCC2 ZINC000846942290 1280646579 /nfs/dbraw/zinc/64/65/79/1280646579.db2.gz QJBXVFVGOKEPOE-UHFFFAOYSA-N 1 0 348.403 2.953 20 5 EFBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000846945378 1280647026 /nfs/dbraw/zinc/64/70/26/1280647026.db2.gz ZQDZAICMSKGRFA-QGZVFWFLSA-N 1 0 333.432 2.579 20 5 EFBDRO CC(C)(C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000805615064 1280656126 /nfs/dbraw/zinc/65/61/26/1280656126.db2.gz XHMWMPRABUQEJM-UHFFFAOYSA-N 1 0 336.388 2.781 20 5 EFBDRO Cc1ccc(N[C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001091462233 1280742803 /nfs/dbraw/zinc/74/28/03/1280742803.db2.gz HSMRAWOQEGATDV-SHTZXODSSA-N 1 0 348.447 2.550 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000822497583 1289016238 /nfs/dbraw/zinc/01/62/38/1289016238.db2.gz GSOCVFCJPIKWOR-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147106729 1281108293 /nfs/dbraw/zinc/10/82/93/1281108293.db2.gz YPRWKZIJJJULPJ-TVPGTPATSA-N 1 0 343.427 2.985 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000806589241 1281111528 /nfs/dbraw/zinc/11/15/28/1281111528.db2.gz LTYOCPNHTYFNHC-DOMZBBRYSA-N 1 0 334.445 2.850 20 5 EFBDRO CCc1ccc(F)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130814614 1281201107 /nfs/dbraw/zinc/20/11/07/1281201107.db2.gz WOLQIRHWASIQQQ-UHFFFAOYSA-N 1 0 345.374 2.816 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001130953602 1281329925 /nfs/dbraw/zinc/32/99/25/1281329925.db2.gz FLZJZPGBFKNFNP-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CCc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001130965797 1281341050 /nfs/dbraw/zinc/34/10/50/1281341050.db2.gz NAURWIMFQAIIES-UHFFFAOYSA-N 1 0 333.413 2.738 20 5 EFBDRO CCn1c(C)cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001130965669 1281341235 /nfs/dbraw/zinc/34/12/35/1281341235.db2.gz JAQXXAJHLJPYAU-UHFFFAOYSA-N 1 0 344.415 2.553 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000807925321 1281470305 /nfs/dbraw/zinc/47/03/05/1281470305.db2.gz MWNDTQLFLHVDGZ-MRXNPFEDSA-N 1 0 347.415 2.853 20 5 EFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000807925319 1281470342 /nfs/dbraw/zinc/47/03/42/1281470342.db2.gz MWNDTQLFLHVDGZ-INIZCTEOSA-N 1 0 347.415 2.853 20 5 EFBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000808190590 1281580796 /nfs/dbraw/zinc/58/07/96/1281580796.db2.gz IAWZSYBUOSNUAK-PBHICJAKSA-N 1 0 343.431 2.769 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000808454435 1281717757 /nfs/dbraw/zinc/71/77/57/1281717757.db2.gz QABOMJWJLMQYLU-CBCNTLDJSA-N 1 0 326.352 2.692 20 5 EFBDRO O=C(CCc1cccs1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175711875 1287524830 /nfs/dbraw/zinc/52/48/30/1287524830.db2.gz IAYHISZEMTVQJY-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO CC1(C)CC[NH2+]CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000872298115 1287528744 /nfs/dbraw/zinc/52/87/44/1287528744.db2.gz BHPUOAJHIGWWQN-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC2(CC2)CC1 ZINC001131422012 1281866115 /nfs/dbraw/zinc/86/61/15/1281866115.db2.gz GLONUWMGHALDHT-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cn2)CC1 ZINC001175734442 1287533525 /nfs/dbraw/zinc/53/35/25/1287533525.db2.gz KGPWKUFCCWWTHA-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO CCN(CC)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734668 1282411060 /nfs/dbraw/zinc/41/10/60/1282411060.db2.gz JLFBPAHBAXJUMG-UHFFFAOYSA-N 1 0 349.460 2.863 20 5 EFBDRO [NH3+]CCN(Cc1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734621 1282411088 /nfs/dbraw/zinc/41/10/88/1282411088.db2.gz ISVFSHBYJPCOPI-UHFFFAOYSA-N 1 0 340.177 2.916 20 5 EFBDRO Cc1ccc2ncc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000809736405 1282414703 /nfs/dbraw/zinc/41/47/03/1282414703.db2.gz STDNSNXLHWJPHO-UHFFFAOYSA-N 1 0 325.372 2.516 20 5 EFBDRO CC(C)(C)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734866 1282414944 /nfs/dbraw/zinc/41/49/44/1282414944.db2.gz MUPDUNMYMBZWIG-UHFFFAOYSA-N 1 0 329.404 2.648 20 5 EFBDRO C[NH+](C)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000809737603 1282436403 /nfs/dbraw/zinc/43/64/03/1282436403.db2.gz JNNHDPRNTOQESF-HNNXBMFYSA-N 1 0 341.839 2.791 20 5 EFBDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558743 1287594938 /nfs/dbraw/zinc/59/49/38/1287594938.db2.gz MSVLQYAASJNLQH-GFCCVEGCSA-N 1 0 329.404 2.603 20 5 EFBDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556485 1287595439 /nfs/dbraw/zinc/59/54/39/1287595439.db2.gz WDACCFATHGDMNZ-CQSZACIVSA-N 1 0 340.427 2.886 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132019987 1282768930 /nfs/dbraw/zinc/76/89/30/1282768930.db2.gz HMCMOLJGEMHKFH-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000810036662 1282796850 /nfs/dbraw/zinc/79/68/50/1282796850.db2.gz MPVIPEYPMBVEAC-INIZCTEOSA-N 1 0 333.388 2.838 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567291 1287601834 /nfs/dbraw/zinc/60/18/34/1287601834.db2.gz SYAYOHJRJITUIK-GXTWGEPZSA-N 1 0 340.383 2.633 20 5 EFBDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569536 1287601898 /nfs/dbraw/zinc/60/18/98/1287601898.db2.gz YBJVJSNITSYLIT-CYBMUJFWSA-N 1 0 326.400 2.843 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Nc2c[nH+]ccc2N2CCOCC2)cc1 ZINC001175902995 1287602261 /nfs/dbraw/zinc/60/22/61/1287602261.db2.gz VJKVDVFYMMIJGY-SOFGYWHQSA-N 1 0 326.356 2.909 20 5 EFBDRO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569660 1287602325 /nfs/dbraw/zinc/60/23/25/1287602325.db2.gz BVAFMIJLKXFLFT-CYBMUJFWSA-N 1 0 326.400 2.890 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2ccsc2[nH]1 ZINC001132092906 1282909031 /nfs/dbraw/zinc/90/90/31/1282909031.db2.gz ILHDJUJXAYIPIB-UHFFFAOYSA-N 1 0 344.396 2.657 20 5 EFBDRO CCc1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000810261301 1283079550 /nfs/dbraw/zinc/07/95/50/1283079550.db2.gz USGXRACEVQIQKS-UHFFFAOYSA-N 1 0 347.444 2.767 20 5 EFBDRO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810253855 1283107566 /nfs/dbraw/zinc/10/75/66/1283107566.db2.gz FKRWFJJKCYPXEX-OAHLLOKOSA-N 1 0 334.464 2.882 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596826 1287624843 /nfs/dbraw/zinc/62/48/43/1287624843.db2.gz FMJJZCHYNIZVRD-JSGCOSHPSA-N 1 0 335.404 2.556 20 5 EFBDRO COc1c(F)cc(N2c3ccccc3OC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001171394098 1283208441 /nfs/dbraw/zinc/20/84/41/1283208441.db2.gz OMVJVJYOXXNWQJ-LLVKDONJSA-N 1 0 333.319 2.600 20 5 EFBDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815574735 1287631930 /nfs/dbraw/zinc/63/19/30/1287631930.db2.gz BFYYKMKBIBGBBM-RISCZKNCSA-N 1 0 343.383 2.840 20 5 EFBDRO CCOc1cc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001171397785 1283356573 /nfs/dbraw/zinc/35/65/73/1283356573.db2.gz QKUGYPHLFCHBNY-ZDUSSCGKSA-N 1 0 329.356 2.851 20 5 EFBDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617105 1287639564 /nfs/dbraw/zinc/63/95/64/1287639564.db2.gz FPHUXRDNHKVUIC-LBPRGKRZSA-N 1 0 339.399 2.957 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625934 1287645663 /nfs/dbraw/zinc/64/56/63/1287645663.db2.gz QIDGXRIEKQGPJS-MCFWBGNESA-N 1 0 347.440 2.906 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810843794 1283730770 /nfs/dbraw/zinc/73/07/70/1283730770.db2.gz GZPCYAVXQMFCRE-KBPBESRZSA-N 1 0 333.388 2.567 20 5 EFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000810845404 1283731779 /nfs/dbraw/zinc/73/17/79/1283731779.db2.gz BYKHYACRMIPWMM-OLZOCXBDSA-N 1 0 329.356 2.860 20 5 EFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000715096854 1284031718 /nfs/dbraw/zinc/03/17/18/1284031718.db2.gz ODFRTCQRAFGCSG-HDJSIYSDSA-N 1 0 335.404 2.988 20 5 EFBDRO CC(C)c1[nH]ccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132697615 1284159605 /nfs/dbraw/zinc/15/96/05/1284159605.db2.gz TZOIBOUMWGSHOS-UHFFFAOYSA-N 1 0 336.417 2.627 20 5 EFBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C(C)C ZINC001132722479 1284180658 /nfs/dbraw/zinc/18/06/58/1284180658.db2.gz JHCQEFYSCZWHKL-UHFFFAOYSA-N 1 0 344.415 2.805 20 5 EFBDRO CC(C)c1ccoc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132783848 1284277903 /nfs/dbraw/zinc/27/79/03/1284277903.db2.gz AAAZUVKHQXLPHG-UHFFFAOYSA-N 1 0 337.401 2.892 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CCCC1 ZINC001132812874 1284317540 /nfs/dbraw/zinc/31/75/40/1284317540.db2.gz SSPOLUPZOXZFAY-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CSC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000872628793 1287704968 /nfs/dbraw/zinc/70/49/68/1287704968.db2.gz NNKBVGPUUWQJKI-UHFFFAOYSA-N 1 0 333.417 2.638 20 5 EFBDRO Cc1ccc(NCCNC(=O)CCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001093648293 1284341653 /nfs/dbraw/zinc/34/16/53/1284341653.db2.gz MZUCLKJKPPVXFM-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000811483343 1284342669 /nfs/dbraw/zinc/34/26/69/1284342669.db2.gz GAJHFGHGEBDVQG-TVQRCGJNSA-N 1 0 348.230 2.710 20 5 EFBDRO Cn1nccc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811491017 1284347509 /nfs/dbraw/zinc/34/75/09/1284347509.db2.gz XWRAADSHQVCIGW-UHFFFAOYSA-N 1 0 329.187 2.967 20 5 EFBDRO C[C@@H]1CN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811478101 1284362683 /nfs/dbraw/zinc/36/26/83/1284362683.db2.gz AUJDDSWZFVTFNV-SNVBAGLBSA-N 1 0 348.230 2.712 20 5 EFBDRO CC[S@@](=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480471 1284365591 /nfs/dbraw/zinc/36/55/91/1284365591.db2.gz ZDTORIMKEIHUJL-LJQANCHMSA-N 1 0 325.217 2.760 20 5 EFBDRO Cc1nn(CN2CCCN3c4ccccc4C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000811782861 1284598150 /nfs/dbraw/zinc/59/81/50/1284598150.db2.gz SZBQGRBDQQMQKJ-MRXNPFEDSA-N 1 0 341.415 2.503 20 5 EFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)C ZINC000811797552 1284624430 /nfs/dbraw/zinc/62/44/30/1284624430.db2.gz CWGZQZMHQLFVBH-UHFFFAOYSA-N 1 0 334.420 2.629 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC001133136244 1284852470 /nfs/dbraw/zinc/85/24/70/1284852470.db2.gz NALWSYZECUELRI-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812332145 1285057173 /nfs/dbraw/zinc/05/71/73/1285057173.db2.gz ZFVDMASPZZEGON-IXDOHACOSA-N 1 0 345.443 2.574 20 5 EFBDRO Cc1cc(NCCCNC(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001094455446 1285127183 /nfs/dbraw/zinc/12/71/83/1285127183.db2.gz SJYQXRHMFUXFBU-UHFFFAOYSA-N 1 0 348.447 2.697 20 5 EFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001170678872 1285185970 /nfs/dbraw/zinc/18/59/70/1285185970.db2.gz HHWCQUMMNCGXNR-VIFPVBQESA-N 1 0 344.762 2.911 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094514607 1285239556 /nfs/dbraw/zinc/23/95/56/1285239556.db2.gz JALANPIKVPZOLL-UHFFFAOYSA-N 1 0 336.436 2.553 20 5 EFBDRO COc1ccccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171826347 1285798480 /nfs/dbraw/zinc/79/84/80/1285798480.db2.gz RYLWPNZGGKZUGY-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000822569071 1289035749 /nfs/dbraw/zinc/03/57/49/1289035749.db2.gz NIJBBBFRIXWNSK-KBRIMQKVSA-N 1 0 331.416 2.641 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001171903885 1285892876 /nfs/dbraw/zinc/89/28/76/1285892876.db2.gz UFKVLRZAMRHQMW-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813452072 1285916637 /nfs/dbraw/zinc/91/66/37/1285916637.db2.gz VIVSDVFVGIHMBL-UHFFFAOYSA-N 1 0 334.203 2.972 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCOc1cccnc1)CC2 ZINC001172902288 1286307352 /nfs/dbraw/zinc/30/73/52/1286307352.db2.gz WWGQSOGYGMEQBQ-INIZCTEOSA-N 1 0 327.384 2.906 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CN(CC(F)(F)F)C1)CC2 ZINC001172904773 1286309061 /nfs/dbraw/zinc/30/90/61/1286309061.db2.gz GCXQLMNFFOLHIZ-CYBMUJFWSA-N 1 0 343.349 2.678 20 5 EFBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905878 1286310428 /nfs/dbraw/zinc/31/04/28/1286310428.db2.gz LJOOJCRHFRDZKF-BZSNNMDCSA-N 1 0 345.443 2.879 20 5 EFBDRO COC(=O)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906265 1286310435 /nfs/dbraw/zinc/31/04/35/1286310435.db2.gz WUIDRGGBZUDZAL-INIZCTEOSA-N 1 0 332.400 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1cccnc1)CC2 ZINC001172908851 1286311251 /nfs/dbraw/zinc/31/12/51/1286311251.db2.gz ZWYWGMKJOJROBU-FUHWJXTLSA-N 1 0 327.384 2.560 20 5 EFBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910464 1286322796 /nfs/dbraw/zinc/32/27/96/1286322796.db2.gz ALVAYYMLSYHVRD-CVEARBPZSA-N 1 0 332.400 2.727 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920924 1286328552 /nfs/dbraw/zinc/32/85/52/1286328552.db2.gz MJAOYBINDLQURZ-HOTGVXAUSA-N 1 0 332.400 2.870 20 5 EFBDRO [NH3+]Cc1ccc2nnn([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c2c1 ZINC001172913058 1286354312 /nfs/dbraw/zinc/35/43/12/1286354312.db2.gz SZLXUQQDCJZPNR-OAHLLOKOSA-N 1 0 337.383 2.918 20 5 EFBDRO O=C1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]2CCCN12 ZINC001172913139 1286354449 /nfs/dbraw/zinc/35/44/49/1286354449.db2.gz PDWKATYHRGLPCL-FUHWJXTLSA-N 1 0 343.427 2.539 20 5 EFBDRO [NH3+]Cc1ccc2nnn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c2c1 ZINC001172913057 1286354580 /nfs/dbraw/zinc/35/45/80/1286354580.db2.gz SZLXUQQDCJZPNR-HNNXBMFYSA-N 1 0 337.383 2.918 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3CSC3)CC2)c(F)c1 ZINC001173010393 1286381945 /nfs/dbraw/zinc/38/19/45/1286381945.db2.gz HHWQUUMAGQMDTJ-UHFFFAOYSA-N 1 0 343.399 2.794 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCCO3)CC2)c(F)c1 ZINC001173007602 1286382367 /nfs/dbraw/zinc/38/23/67/1286382367.db2.gz UKBBZONEDFXALC-CYBMUJFWSA-N 1 0 341.358 2.610 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C)CCOCC2)c1F ZINC001173175449 1286451535 /nfs/dbraw/zinc/45/15/35/1286451535.db2.gz NKPUNHPQHUXIGX-NSHDSACASA-N 1 0 326.368 2.832 20 5 EFBDRO CCN(CC)CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175047 1286451560 /nfs/dbraw/zinc/45/15/60/1286451560.db2.gz JKVYMIQOSZNEMI-GFCCVEGCSA-N 1 0 327.400 2.605 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCCOC2)c1F ZINC001173175328 1286451693 /nfs/dbraw/zinc/45/16/93/1286451693.db2.gz AFOMGMOATFGWGF-VXGBXAGGSA-N 1 0 326.368 2.690 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CC[C@H](O)CC2)c1F ZINC001173177658 1286452410 /nfs/dbraw/zinc/45/24/10/1286452410.db2.gz CIKKXGJSAJGTHB-JHJVBQTASA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1F ZINC001173176073 1286452613 /nfs/dbraw/zinc/45/26/13/1286452613.db2.gz XAAQGVRYULBVDB-IJLUTSLNSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@H](O)CC2)c1F ZINC001173177657 1286452638 /nfs/dbraw/zinc/45/26/38/1286452638.db2.gz CIKKXGJSAJGTHB-AVGNSLFASA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1F ZINC001173177453 1286452808 /nfs/dbraw/zinc/45/28/08/1286452808.db2.gz CGFCQVYOXMFEDR-YWPYICTPSA-N 1 0 340.395 2.814 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H](O)CC[C@H]2C)c1F ZINC001173179014 1286453397 /nfs/dbraw/zinc/45/33/97/1286453397.db2.gz CZDPQQYCHKCENC-WOPDTQHZSA-N 1 0 326.368 2.519 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c1F ZINC001173178933 1286453967 /nfs/dbraw/zinc/45/39/67/1286453967.db2.gz CFGTUPZVDRVQRF-XUJVJEKNSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CCC[NH3+])C(C)C)c1F ZINC001173179872 1286454634 /nfs/dbraw/zinc/45/46/34/1286454634.db2.gz QTUIAPQPCZEJQK-LBPRGKRZSA-N 1 0 327.400 2.733 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)CN2CCCC2)c1F ZINC001173179375 1286455416 /nfs/dbraw/zinc/45/54/16/1286455416.db2.gz PDBFNIUNFMXANU-STQMWFEESA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCN(C)C[C@H]2C)c1F ZINC001173184107 1286456871 /nfs/dbraw/zinc/45/68/71/1286456871.db2.gz LJMHHXKNGLWBHU-MBNYWOFBSA-N 1 0 339.411 2.603 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@]3(CCCO3)C2)c1F ZINC001173183455 1286456883 /nfs/dbraw/zinc/45/68/83/1286456883.db2.gz YIEQFVDEYIPEIV-PXAZEXFGSA-N 1 0 338.379 2.928 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CCCO)C(C)C)c1F ZINC001173190280 1286457786 /nfs/dbraw/zinc/45/77/86/1286457786.db2.gz RWANTIVHAHUPFN-GFCCVEGCSA-N 1 0 328.384 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnc(C)nc2)c1F ZINC001173189404 1286458249 /nfs/dbraw/zinc/45/82/49/1286458249.db2.gz PBAFYJSIMAAGLP-JTQLQIEISA-N 1 0 334.351 2.562 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC([C@H](C)OC)C2)c1F ZINC001173192803 1286458884 /nfs/dbraw/zinc/45/88/84/1286458884.db2.gz MWFCAFNJMUFEMY-QWRGUYRKSA-N 1 0 326.368 2.640 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001173215410 1286470388 /nfs/dbraw/zinc/47/03/88/1286470388.db2.gz WLKWHZYALLTFIT-RHSMWYFYSA-N 1 0 330.384 2.555 20 5 EFBDRO CCC(=O)N1CCC(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221950 1286475178 /nfs/dbraw/zinc/47/51/78/1286475178.db2.gz RMDHOYKBIVHHKP-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC(F)(F)CC1 ZINC001173221374 1286475227 /nfs/dbraw/zinc/47/52/27/1286475227.db2.gz MTWFBFZZKVLHMF-CYBMUJFWSA-N 1 0 327.375 2.847 20 5 EFBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223701 1286477079 /nfs/dbraw/zinc/47/70/79/1286477079.db2.gz LAPXYGDHPXVHCJ-LLVKDONJSA-N 1 0 331.372 2.733 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001173223638 1286477137 /nfs/dbraw/zinc/47/71/37/1286477137.db2.gz JQCCSKREWSKHSX-HOCLYGCPSA-N 1 0 341.415 2.574 20 5 EFBDRO CCN1CC[C@@]2(C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C)C1=O ZINC001173225224 1286479648 /nfs/dbraw/zinc/47/96/48/1286479648.db2.gz MZYBAUUUQQZZGB-KHYOSLBOSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001173228393 1286482027 /nfs/dbraw/zinc/48/20/27/1286482027.db2.gz VVSRNQRRFAFVOL-DOTOQJQBSA-N 1 0 345.443 2.860 20 5 EFBDRO COc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229430 1286482429 /nfs/dbraw/zinc/48/24/29/1286482429.db2.gz UWRBITJSUOPKRI-SCLBCKFNSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC001173228700 1286482457 /nfs/dbraw/zinc/48/24/57/1286482457.db2.gz ZOOLYNJMRYXQRK-INIZCTEOSA-N 1 0 340.427 2.739 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C(=O)Nc2ccccc21 ZINC001173230631 1286483177 /nfs/dbraw/zinc/48/31/77/1286483177.db2.gz SFYUWRMKZNFEKP-BLLLJJGKSA-N 1 0 325.368 2.851 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nnc(-c2ccc(C[NH3+])cc2)n1 ZINC001173231146 1286483479 /nfs/dbraw/zinc/48/34/79/1286483479.db2.gz XVXAFDFFWXYRCM-GFCCVEGCSA-N 1 0 338.371 2.511 20 5 EFBDRO CCNC(=O)OC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231103 1286483555 /nfs/dbraw/zinc/48/35/55/1286483555.db2.gz JQLGDJACHXYGBS-CYBMUJFWSA-N 1 0 335.404 2.736 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1cccnc1 ZINC001173233570 1286484170 /nfs/dbraw/zinc/48/41/70/1286484170.db2.gz XJEBDTYQHTUFCT-RDTXWAMCSA-N 1 0 327.384 2.994 20 5 EFBDRO CCN1CCC2(CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC001173233851 1286484739 /nfs/dbraw/zinc/48/47/39/1286484739.db2.gz ZVELSQAUEQZBGA-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001173211549 1286485134 /nfs/dbraw/zinc/48/51/34/1286485134.db2.gz SRIDTJINQDJHHZ-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209732 1286485233 /nfs/dbraw/zinc/48/52/33/1286485233.db2.gz DZFUXOUWAGVZEQ-SUMWQHHRSA-N 1 0 345.399 2.643 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)COCc1ccccc1 ZINC001173213290 1286486480 /nfs/dbraw/zinc/48/64/80/1286486480.db2.gz HRIYECCAHOUQQM-KXBFYZLASA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001173212627 1286486503 /nfs/dbraw/zinc/48/65/03/1286486503.db2.gz BRRAEGBOVWPYNM-CJNGLKHVSA-N 1 0 328.368 2.955 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001173214594 1286488178 /nfs/dbraw/zinc/48/81/78/1286488178.db2.gz PODLRIGNFIBJLJ-ZDUSSCGKSA-N 1 0 348.424 2.719 20 5 EFBDRO CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238141 1286495777 /nfs/dbraw/zinc/49/57/77/1286495777.db2.gz NWWNPASNVUAAMR-ZBFHGGJFSA-N 1 0 348.447 2.698 20 5 EFBDRO Cn1cc(C[NH2+]Cc2cccc(F)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747935169 1286516339 /nfs/dbraw/zinc/51/63/39/1286516339.db2.gz HJGIRTPZUHIYTM-UHFFFAOYSA-N 1 0 341.346 2.819 20 5 EFBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001134301915 1286544007 /nfs/dbraw/zinc/54/40/07/1286544007.db2.gz JFOBJGPCUMFYMQ-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC001134334680 1286581813 /nfs/dbraw/zinc/58/18/13/1286581813.db2.gz UPIGDVUDFOEUJU-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001095228746 1286712347 /nfs/dbraw/zinc/71/23/47/1286712347.db2.gz VCRMNAYFRNAIHL-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cn1 ZINC001170752322 1286765297 /nfs/dbraw/zinc/76/52/97/1286765297.db2.gz NOEYZENGWLDKAE-HNNXBMFYSA-N 1 0 327.388 2.504 20 5 EFBDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001134491600 1286809777 /nfs/dbraw/zinc/80/97/77/1286809777.db2.gz XPNNGQFJLCRNRE-UHFFFAOYSA-N 1 0 341.411 2.606 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000822818900 1289122545 /nfs/dbraw/zinc/12/25/45/1289122545.db2.gz KHTACTNLIGEYGZ-QGZVFWFLSA-N 1 0 347.459 2.850 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001174738350 1287145403 /nfs/dbraw/zinc/14/54/03/1287145403.db2.gz OPUIEFSJXMPLIU-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO Cc1c(Cc2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000822861246 1289140961 /nfs/dbraw/zinc/14/09/61/1289140961.db2.gz BLZJFYXVVFYJDU-LSDHHAIUSA-N 1 0 342.399 2.980 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000822896268 1289158933 /nfs/dbraw/zinc/15/89/33/1289158933.db2.gz JYZYRAYQGIAIJC-INIZCTEOSA-N 1 0 339.480 2.792 20 5 EFBDRO Cc1nsc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177111080 1288276154 /nfs/dbraw/zinc/27/61/54/1288276154.db2.gz FFCDWFIBPZLDKK-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CCc1ncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001177293008 1288359193 /nfs/dbraw/zinc/35/91/93/1288359193.db2.gz LQNDXBKBSAZKRR-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000817411613 1288590279 /nfs/dbraw/zinc/59/02/79/1288590279.db2.gz WCEZLVPQWDCBPO-LLVKDONJSA-N 1 0 325.796 2.596 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817484972 1288614975 /nfs/dbraw/zinc/61/49/75/1288614975.db2.gz DWMGIYHJQWQUMI-UHFFFAOYSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000821848787 1288809599 /nfs/dbraw/zinc/80/95/99/1288809599.db2.gz YDMVWDBXCJGPNK-JQFCIGGWSA-N 1 0 331.416 2.641 20 5 EFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821891722 1288824555 /nfs/dbraw/zinc/82/45/55/1288824555.db2.gz NDVZAVQOLLNANI-ZWKOTPCHSA-N 1 0 343.427 2.831 20 5 EFBDRO CN1CC[C@]2(CC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)C1=O ZINC001277648419 1312676131 /nfs/dbraw/zinc/67/61/31/1312676131.db2.gz KRHKJWIFVLSGAY-OAQYLSRUSA-N 1 0 346.434 2.837 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000822150813 1288893283 /nfs/dbraw/zinc/89/32/83/1288893283.db2.gz JBKYXONFORJFSC-ULQDDVLXSA-N 1 0 331.416 2.639 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000903441615 1312686525 /nfs/dbraw/zinc/68/65/25/1312686525.db2.gz ALHVHPOBLKDVEL-XNAIMREJSA-N 1 0 330.359 2.913 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000823119604 1289214672 /nfs/dbraw/zinc/21/46/72/1289214672.db2.gz YRPMVUWPAPYSEM-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000823119445 1289214844 /nfs/dbraw/zinc/21/48/44/1289214844.db2.gz STHVBAYZWHLFIY-GMGZGELVSA-N 1 0 331.416 2.687 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823980479 1289505511 /nfs/dbraw/zinc/50/55/11/1289505511.db2.gz NMEMARYYVJXDRI-DGCLKSJQSA-N 1 0 335.408 2.514 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873009832 1289516478 /nfs/dbraw/zinc/51/64/78/1289516478.db2.gz BRWBBBPAUROQHX-UHFFFAOYSA-N 1 0 327.384 2.861 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000873011290 1289517949 /nfs/dbraw/zinc/51/79/49/1289517949.db2.gz WOZBYEOXLKMQGU-HNNXBMFYSA-N 1 0 326.400 2.957 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N1CCc2ccccc21 ZINC000873046862 1289539237 /nfs/dbraw/zinc/53/92/37/1289539237.db2.gz UPGZBXZJDSIRFO-UHFFFAOYSA-N 1 0 339.395 2.891 20 5 EFBDRO Cc1c(CNCC2([NH+]3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000873046920 1289539864 /nfs/dbraw/zinc/53/98/64/1289539864.db2.gz UVPRMAVNMNSGBV-UHFFFAOYSA-N 1 0 333.432 2.638 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000873056663 1289543164 /nfs/dbraw/zinc/54/31/64/1289543164.db2.gz PPNULAGSMDLHKD-INIZCTEOSA-N 1 0 347.459 2.802 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000873058902 1289544449 /nfs/dbraw/zinc/54/44/49/1289544449.db2.gz LBHRCCDPUIQGQU-KBPBESRZSA-N 1 0 340.445 2.657 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873058377 1289544501 /nfs/dbraw/zinc/54/45/01/1289544501.db2.gz DZUVQFIBJOXNMQ-UHFFFAOYSA-N 1 0 327.384 2.595 20 5 EFBDRO Cc1c(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000873060330 1289545360 /nfs/dbraw/zinc/54/53/60/1289545360.db2.gz IQJYMLYEZONGAG-UHFFFAOYSA-N 1 0 341.411 2.937 20 5 EFBDRO Cc1cc(N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000873112097 1289573102 /nfs/dbraw/zinc/57/31/02/1289573102.db2.gz NPVTYSUDDXRNIW-UHFFFAOYSA-N 1 0 329.404 2.693 20 5 EFBDRO Cc1c(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873130506 1289586335 /nfs/dbraw/zinc/58/63/35/1289586335.db2.gz FWYHIWFDZQVNOJ-OAHLLOKOSA-N 1 0 341.411 2.740 20 5 EFBDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000873195545 1289634014 /nfs/dbraw/zinc/63/40/14/1289634014.db2.gz NSKYTZOTCUHSCA-KPZWWZAWSA-N 1 0 346.383 2.824 20 5 EFBDRO Nc1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000873288335 1289703148 /nfs/dbraw/zinc/70/31/48/1289703148.db2.gz BVTNMGJPBIAONV-HUUCEWRRSA-N 1 0 333.367 2.786 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825670086 1289733911 /nfs/dbraw/zinc/73/39/11/1289733911.db2.gz HWTGPTONRJHTHM-LBPRGKRZSA-N 1 0 325.796 2.851 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC000873881100 1290100189 /nfs/dbraw/zinc/10/01/89/1290100189.db2.gz FKFJJMNMUIGYQK-UHFFFAOYSA-N 1 0 325.796 2.548 20 5 EFBDRO O=C(CCCF)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001166630162 1312807474 /nfs/dbraw/zinc/80/74/74/1312807474.db2.gz HEGPTTWSRBMIFB-UHFFFAOYSA-N 1 0 337.395 2.721 20 5 EFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC ZINC000775065307 1291058403 /nfs/dbraw/zinc/05/84/03/1291058403.db2.gz MXCGKFNPTZYROY-OAHLLOKOSA-N 1 0 331.372 2.506 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](O)c2ccco2)cc1Br ZINC000876917866 1291072732 /nfs/dbraw/zinc/07/27/32/1291072732.db2.gz XFZFFRNBJOQZRU-SECBINFHSA-N 1 0 347.190 2.835 20 5 EFBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093304265 1291112652 /nfs/dbraw/zinc/11/26/52/1291112652.db2.gz VNRDFHZVPSPLJU-BEFAXECRSA-N 1 0 344.411 2.901 20 5 EFBDRO CS[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877067968 1291124360 /nfs/dbraw/zinc/12/43/60/1291124360.db2.gz KLJIAEISMCIXJQ-HIFRSBDPSA-N 1 0 336.461 2.832 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000877517031 1291254872 /nfs/dbraw/zinc/25/48/72/1291254872.db2.gz KVUDAVLBBZRPGB-GOEBONIOSA-N 1 0 333.432 2.507 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000877621956 1291295399 /nfs/dbraw/zinc/29/53/99/1291295399.db2.gz YTHWYKRLODSYHP-KRWDZBQOSA-N 1 0 347.459 2.898 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000877621958 1291295455 /nfs/dbraw/zinc/29/54/55/1291295455.db2.gz YTHWYKRLODSYHP-QGZVFWFLSA-N 1 0 347.459 2.898 20 5 EFBDRO CC(F)(F)C1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001166838300 1312850790 /nfs/dbraw/zinc/85/07/90/1312850790.db2.gz BTKDKSXJFLPBFT-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000877818867 1291393443 /nfs/dbraw/zinc/39/34/43/1291393443.db2.gz QVIIMZLADYJKNK-ZDUSSCGKSA-N 1 0 336.388 2.769 20 5 EFBDRO Cc1c[n+]([O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001166864695 1312855896 /nfs/dbraw/zinc/85/58/96/1312855896.db2.gz GQWGDUQIGVNUGQ-KRWDZBQOSA-N 1 0 342.399 2.786 20 5 EFBDRO COC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878104683 1291497751 /nfs/dbraw/zinc/49/77/51/1291497751.db2.gz ZUQPFZMJPYSEFG-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CC(C)OCCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878124221 1291508699 /nfs/dbraw/zinc/50/86/99/1291508699.db2.gz DHCRUFNDLLLSBE-UHFFFAOYSA-N 1 0 334.376 2.892 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878185652 1291541886 /nfs/dbraw/zinc/54/18/86/1291541886.db2.gz BXLVMLUVWQAASD-UHFFFAOYSA-N 1 0 346.387 2.893 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878400402 1291663579 /nfs/dbraw/zinc/66/35/79/1291663579.db2.gz AWHITHKHNGEYIZ-GFCCVEGCSA-N 1 0 332.360 2.646 20 5 EFBDRO [NH3+][C@@H]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1(F)F ZINC001166960099 1312871923 /nfs/dbraw/zinc/87/19/23/1312871923.db2.gz GXOCIEVYWXVHQA-GFCCVEGCSA-N 1 0 342.733 2.969 20 5 EFBDRO CCOC(=O)c1ccnc(Nc2cccc(C[NH2+]C)c2)c1[N+](=O)[O-] ZINC001167033911 1312886132 /nfs/dbraw/zinc/88/61/32/1312886132.db2.gz VBAWKLKVNFLJSU-UHFFFAOYSA-N 1 0 330.344 2.630 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114782128 1291937043 /nfs/dbraw/zinc/93/70/43/1291937043.db2.gz GAJAWTKQHWSEQG-KOMQPUFPSA-N 1 0 348.447 2.633 20 5 EFBDRO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC001114782980 1291940202 /nfs/dbraw/zinc/94/02/02/1291940202.db2.gz YUWGOUHVDZNIOM-SHTZXODSSA-N 1 0 348.447 2.633 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)CC2 ZINC001151842058 1292038971 /nfs/dbraw/zinc/03/89/71/1292038971.db2.gz ALENGEZULDRGFS-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO COc1ccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000879519423 1292166914 /nfs/dbraw/zinc/16/69/14/1292166914.db2.gz SYEMWEBTUHTMPC-GOSISDBHSA-N 1 0 327.384 2.750 20 5 EFBDRO COc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000879520309 1292168338 /nfs/dbraw/zinc/16/83/38/1292168338.db2.gz DNLGRWXUGXZXHI-SFHVURJKSA-N 1 0 345.374 2.889 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879529579 1292173866 /nfs/dbraw/zinc/17/38/66/1292173866.db2.gz RHBFOAYNWBMSSE-MCIONIFRSA-N 1 0 345.399 2.828 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001114808936 1292321767 /nfs/dbraw/zinc/32/17/67/1292321767.db2.gz DGGQKMLVNDBLKD-SHTZXODSSA-N 1 0 348.447 2.552 20 5 EFBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000881779112 1293003437 /nfs/dbraw/zinc/00/34/37/1293003437.db2.gz CZZVDVSIHWWPAW-UHFFFAOYSA-N 1 0 330.363 2.841 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000775547822 1293051488 /nfs/dbraw/zinc/05/14/88/1293051488.db2.gz CFNMWUYBKWHKBP-GFCCVEGCSA-N 1 0 329.356 2.898 20 5 EFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882538544 1293238192 /nfs/dbraw/zinc/23/81/92/1293238192.db2.gz DWUNWMAXWMJBIN-GFCCVEGCSA-N 1 0 339.823 2.938 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1F ZINC001233771179 1312989003 /nfs/dbraw/zinc/98/90/03/1312989003.db2.gz VEAAKHDSLVUNDM-TXEJJXNPSA-N 1 0 342.342 2.895 20 5 EFBDRO CC(=O)c1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726199 1293298107 /nfs/dbraw/zinc/29/81/07/1293298107.db2.gz MTHVIDVLXBPIOF-HNNXBMFYSA-N 1 0 347.415 2.535 20 5 EFBDRO COc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000882727448 1293298982 /nfs/dbraw/zinc/29/89/82/1293298982.db2.gz WVZXVSOMVFRCNW-HNNXBMFYSA-N 1 0 349.431 2.649 20 5 EFBDRO COc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])cc1C ZINC000882727449 1293299375 /nfs/dbraw/zinc/29/93/75/1293299375.db2.gz WVZXVSOMVFRCNW-OAHLLOKOSA-N 1 0 349.431 2.649 20 5 EFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000882727301 1293299422 /nfs/dbraw/zinc/29/94/22/1293299422.db2.gz RMSMLWJVIPOUDY-CQSZACIVSA-N 1 0 337.395 2.780 20 5 EFBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000130636500 1293411974 /nfs/dbraw/zinc/41/19/74/1293411974.db2.gz BGGSSKSJMYBLMG-GXFFZTMASA-N 1 0 336.344 2.504 20 5 EFBDRO CSC[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000130956714 1293455917 /nfs/dbraw/zinc/45/59/17/1293455917.db2.gz NQVFWCLFQYASLN-ZDUSSCGKSA-N 1 0 333.417 2.638 20 5 EFBDRO CSC[C@@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131008768 1293467585 /nfs/dbraw/zinc/46/75/85/1293467585.db2.gz UCDCQFRTUGRRRD-AWEZNQCLSA-N 1 0 333.417 2.638 20 5 EFBDRO CC[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233903298 1313014961 /nfs/dbraw/zinc/01/49/61/1313014961.db2.gz CFYQIRNWSFUVSY-NSHDSACASA-N 1 0 346.343 2.914 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233903297 1313015131 /nfs/dbraw/zinc/01/51/31/1313015131.db2.gz CFYQIRNWSFUVSY-LLVKDONJSA-N 1 0 346.343 2.914 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000101955659 1293923805 /nfs/dbraw/zinc/92/38/05/1293923805.db2.gz APIRWMZBRJIKKK-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCC[NH+]1CCCC1 ZINC000800154408 1293933678 /nfs/dbraw/zinc/93/36/78/1293933678.db2.gz PKRFBIGTINRSHT-UHFFFAOYSA-N 1 0 331.372 2.579 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1C ZINC000884243450 1294063448 /nfs/dbraw/zinc/06/34/48/1294063448.db2.gz HAHIGOTWRFDQPV-UHFFFAOYSA-N 1 0 326.356 2.505 20 5 EFBDRO O=C(OCc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000884526070 1294168452 /nfs/dbraw/zinc/16/84/52/1294168452.db2.gz KTJODCVEZBCAPF-HNNXBMFYSA-N 1 0 333.388 2.830 20 5 EFBDRO CCc1nn(C)c(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000884707376 1294226814 /nfs/dbraw/zinc/22/68/14/1294226814.db2.gz IOGWQRVMWBMZRU-UHFFFAOYSA-N 1 0 332.408 2.615 20 5 EFBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000886027781 1294629371 /nfs/dbraw/zinc/62/93/71/1294629371.db2.gz INYXWWFEDDJKHO-KRWDZBQOSA-N 1 0 340.427 2.944 20 5 EFBDRO CCN(C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000886030867 1294633531 /nfs/dbraw/zinc/63/35/31/1294633531.db2.gz WPBCQQNLJAEFND-LBPRGKRZSA-N 1 0 346.353 2.696 20 5 EFBDRO CCN(C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000886030866 1294634237 /nfs/dbraw/zinc/63/42/37/1294634237.db2.gz WPBCQQNLJAEFND-GFCCVEGCSA-N 1 0 346.353 2.696 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886181198 1294752558 /nfs/dbraw/zinc/75/25/58/1294752558.db2.gz GYFPFXYZHWPVIC-HDICACEKSA-N 1 0 338.411 2.554 20 5 EFBDRO C[C@@H](C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000886205927 1294762487 /nfs/dbraw/zinc/76/24/87/1294762487.db2.gz CZHIEYUIEMNKCA-GJZGRUSLSA-N 1 0 329.400 2.976 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000886237041 1294780715 /nfs/dbraw/zinc/78/07/15/1294780715.db2.gz UAZRVHBCNGDTON-UHFFFAOYSA-N 1 0 327.384 2.871 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886279313 1294812323 /nfs/dbraw/zinc/81/23/23/1294812323.db2.gz VQEWQPXUZRKODO-SFHVURJKSA-N 1 0 340.427 2.739 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000886590745 1295037425 /nfs/dbraw/zinc/03/74/25/1295037425.db2.gz CQRBZHWZOLTPAD-CQSZACIVSA-N 1 0 344.415 2.878 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001234409778 1313121807 /nfs/dbraw/zinc/12/18/07/1313121807.db2.gz GYUJXDCHRMQOOX-AWEZNQCLSA-N 1 0 336.388 2.562 20 5 EFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[NH+](CC)CC)c1 ZINC001234407466 1313121871 /nfs/dbraw/zinc/12/18/71/1313121871.db2.gz BCMYGAUUPFDRAE-ZDUSSCGKSA-N 1 0 338.404 2.810 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000886596030 1295042709 /nfs/dbraw/zinc/04/27/09/1295042709.db2.gz VFNVQZRGSQWCQA-CYBMUJFWSA-N 1 0 344.415 2.878 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000886838390 1295176847 /nfs/dbraw/zinc/17/68/47/1295176847.db2.gz WQYKRIZMWFLTTJ-OAHLLOKOSA-N 1 0 332.791 2.790 20 5 EFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886838164 1295177994 /nfs/dbraw/zinc/17/79/94/1295177994.db2.gz SFDWHGMKTYYLBX-KRWDZBQOSA-N 1 0 326.400 2.699 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886943786 1295222043 /nfs/dbraw/zinc/22/20/43/1295222043.db2.gz GLVHKNGORQIZJZ-QGZVFWFLSA-N 1 0 332.404 2.901 20 5 EFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000887134569 1295287583 /nfs/dbraw/zinc/28/75/83/1295287583.db2.gz LXVAFRLUIKORSH-CYBMUJFWSA-N 1 0 330.363 2.840 20 5 EFBDRO C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252702637 1295311095 /nfs/dbraw/zinc/31/10/95/1295311095.db2.gz IEQXWDYNTMOGRW-HZMBPMFUSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2nc(Br)sc21 ZINC001234572448 1313161090 /nfs/dbraw/zinc/16/10/90/1313161090.db2.gz RQLFQCIHWFRHDV-QMMMGPOBSA-N 1 0 331.259 2.927 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2nc(Br)sc21 ZINC001234572447 1313161176 /nfs/dbraw/zinc/16/11/76/1313161176.db2.gz RQLFQCIHWFRHDV-MRVPVSSYSA-N 1 0 331.259 2.927 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1c(Br)cccc1[N+](=O)[O-] ZINC000903751120 1313162809 /nfs/dbraw/zinc/16/28/09/1313162809.db2.gz AQOUHTBNJFRPIF-GFCCVEGCSA-N 1 0 330.226 2.820 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829194 1295839756 /nfs/dbraw/zinc/83/97/56/1295839756.db2.gz ISOITAXBJJWINO-UHFFFAOYSA-N 1 0 337.807 2.995 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000889830757 1295840673 /nfs/dbraw/zinc/84/06/73/1295840673.db2.gz OKXIPFFGTQYQPH-UHFFFAOYSA-N 1 0 335.379 2.789 20 5 EFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838177 1295844407 /nfs/dbraw/zinc/84/44/07/1295844407.db2.gz YAKNGIRGCVQOPH-UHFFFAOYSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc2oc3ccc(O)cc3c(=O)c12 ZINC001234746193 1313188120 /nfs/dbraw/zinc/18/81/20/1313188120.db2.gz BUIYFWVLBGNIGL-NSHDSACASA-O 1 0 344.387 2.831 20 5 EFBDRO COc1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1OC ZINC001234912267 1313207200 /nfs/dbraw/zinc/20/72/00/1313207200.db2.gz OETOHFWWQMFNCA-JTQLQIEISA-N 1 0 333.246 2.940 20 5 EFBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000121563839 1296627497 /nfs/dbraw/zinc/62/74/97/1296627497.db2.gz KUNHIMLGSAWDKI-GUYCJALGSA-N 1 0 340.387 2.682 20 5 EFBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000121563687 1296628006 /nfs/dbraw/zinc/62/80/06/1296628006.db2.gz KUNHIMLGSAWDKI-DYVFJYSZSA-N 1 0 340.387 2.682 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925228562 1296810390 /nfs/dbraw/zinc/81/03/90/1296810390.db2.gz ZWGOJVCIPXTYQU-RHSMWYFYSA-N 1 0 346.431 2.926 20 5 EFBDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930103977 1297233318 /nfs/dbraw/zinc/23/33/18/1297233318.db2.gz KDEWQEHPBRQWQU-IRXDYDNUSA-N 1 0 331.416 2.691 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000930106571 1297233765 /nfs/dbraw/zinc/23/37/65/1297233765.db2.gz RQEVNXWOAPKILL-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000776270222 1297323477 /nfs/dbraw/zinc/32/34/77/1297323477.db2.gz AXTVZXMQMAGFGX-ZWKOTPCHSA-N 1 0 347.390 2.660 20 5 EFBDRO C[N@H+](CCOc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273397 1297334572 /nfs/dbraw/zinc/33/45/72/1297334572.db2.gz AZPKWNFMYMGOPG-INIZCTEOSA-N 1 0 334.347 2.778 20 5 EFBDRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776275037 1297337721 /nfs/dbraw/zinc/33/77/21/1297337721.db2.gz IVGSIZMXOFGZFB-LJQANCHMSA-N 1 0 341.411 2.759 20 5 EFBDRO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000932695426 1297444935 /nfs/dbraw/zinc/44/49/35/1297444935.db2.gz XXACRCMSLBGILA-IXDOHACOSA-N 1 0 333.432 2.791 20 5 EFBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)CCN1 ZINC001235754833 1313388637 /nfs/dbraw/zinc/38/86/37/1313388637.db2.gz TWMVCRLXMMYETG-IBGZPJMESA-N 1 0 343.430 2.843 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778250150 1297569899 /nfs/dbraw/zinc/56/98/99/1297569899.db2.gz RQXMCCYPQDYKHO-LBPRGKRZSA-N 1 0 341.358 2.533 20 5 EFBDRO COCC[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577917 1299616960 /nfs/dbraw/zinc/61/69/60/1299616960.db2.gz AUMZQBCJKQPMOD-LJQANCHMSA-N 1 0 344.411 2.819 20 5 EFBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588084 1299643111 /nfs/dbraw/zinc/64/31/11/1299643111.db2.gz KFJCJCSSBVBFEH-RTBURBONSA-N 1 0 344.411 2.992 20 5 EFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000776586940 1299662350 /nfs/dbraw/zinc/66/23/50/1299662350.db2.gz ROIXWUYUMFQFSL-BRWVUGGUSA-N 1 0 334.416 2.908 20 5 EFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000776586950 1299662903 /nfs/dbraw/zinc/66/29/03/1299662903.db2.gz ROIXWUYUMFQFSL-IXDOHACOSA-N 1 0 334.416 2.908 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852550828 1299752172 /nfs/dbraw/zinc/75/21/72/1299752172.db2.gz HDSJHZCVHUYKMQ-SFHVURJKSA-N 1 0 328.368 2.695 20 5 EFBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCSC1 ZINC000852747406 1299857346 /nfs/dbraw/zinc/85/73/46/1299857346.db2.gz HJBZSUGPDOEUKN-UHFFFAOYSA-N 1 0 341.820 2.792 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853134382 1300019567 /nfs/dbraw/zinc/01/95/67/1300019567.db2.gz RGEQUCKOVMVHPZ-AWEZNQCLSA-N 1 0 341.289 2.832 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000853266313 1300074195 /nfs/dbraw/zinc/07/41/95/1300074195.db2.gz APCWETVRNFAVBA-ZFWWWQNUSA-N 1 0 341.358 2.568 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000853645737 1300211835 /nfs/dbraw/zinc/21/18/35/1300211835.db2.gz FHNHYRYAKHSUFP-CABZTGNLSA-N 1 0 328.210 2.886 20 5 EFBDRO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853718334 1300242261 /nfs/dbraw/zinc/24/22/61/1300242261.db2.gz CIPDHLFDYWJIDV-OAHLLOKOSA-N 1 0 349.431 2.603 20 5 EFBDRO Cc1noc(COC(=O)c2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000853913936 1300338215 /nfs/dbraw/zinc/33/82/15/1300338215.db2.gz HZTWLTKZGNCMBK-UHFFFAOYSA-N 1 0 345.355 2.844 20 5 EFBDRO Nc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854495755 1300593041 /nfs/dbraw/zinc/59/30/41/1300593041.db2.gz SXWIGUKSGZLSLL-AWEZNQCLSA-N 1 0 340.383 2.638 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855288042 1300892599 /nfs/dbraw/zinc/89/25/99/1300892599.db2.gz FZTMGFWHAXTKGB-JTQLQIEISA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000855289809 1300893732 /nfs/dbraw/zinc/89/37/32/1300893732.db2.gz VGZVMWURUDNFCS-GFCCVEGCSA-N 1 0 341.358 2.676 20 5 EFBDRO O=C(CC1CC1)NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000963485789 1300939148 /nfs/dbraw/zinc/93/91/48/1300939148.db2.gz VVQGLJNAUBFHPN-UHFFFAOYSA-N 1 0 349.456 2.973 20 5 EFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776821856 1301017696 /nfs/dbraw/zinc/01/76/96/1301017696.db2.gz HHXDWDAUVOCUMI-HOCLYGCPSA-N 1 0 349.431 2.984 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000855813539 1301129363 /nfs/dbraw/zinc/12/93/63/1301129363.db2.gz CDUAERAZLGLBIE-LBPRGKRZSA-N 1 0 335.379 2.871 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855897865 1301163224 /nfs/dbraw/zinc/16/32/24/1301163224.db2.gz HTBYKDQFTZHATF-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000856073501 1301224008 /nfs/dbraw/zinc/22/40/08/1301224008.db2.gz RISULKLBVUARBN-NSHDSACASA-N 1 0 343.786 2.530 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000795430996 1301338818 /nfs/dbraw/zinc/33/88/18/1301338818.db2.gz MGQQGQOTDPJYFQ-CXAGYDPISA-N 1 0 328.368 2.911 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCOCC3)CC2)ccc1Cl ZINC000859353796 1301440544 /nfs/dbraw/zinc/44/05/44/1301440544.db2.gz MSFHQZLUZCCFBI-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000859571686 1301493634 /nfs/dbraw/zinc/49/36/34/1301493634.db2.gz KWWHRSRXFKRGKL-SNVBAGLBSA-N 1 0 327.812 2.954 20 5 EFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000859571685 1301494202 /nfs/dbraw/zinc/49/42/02/1301494202.db2.gz KWWHRSRXFKRGKL-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859684386 1301533667 /nfs/dbraw/zinc/53/36/67/1301533667.db2.gz CEFXQOAVKAOMSP-LBPRGKRZSA-N 1 0 326.784 2.710 20 5 EFBDRO CSc1cccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000777129393 1301624788 /nfs/dbraw/zinc/62/47/88/1301624788.db2.gz YMYWEEJIKCHEHB-GFCCVEGCSA-N 1 0 337.445 2.921 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796460097 1301739484 /nfs/dbraw/zinc/73/94/84/1301739484.db2.gz RHRQJUNBZUZIBD-SFHVURJKSA-N 1 0 335.448 2.826 20 5 EFBDRO CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000861892867 1302234287 /nfs/dbraw/zinc/23/42/87/1302234287.db2.gz VIHXGBNYMLNPMK-UHFFFAOYSA-N 1 0 341.358 2.629 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794601299 1302835363 /nfs/dbraw/zinc/83/53/63/1302835363.db2.gz DLFGYFMUPOQTSZ-FHWLQOOXSA-N 1 0 344.411 2.976 20 5 EFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000794600238 1302836016 /nfs/dbraw/zinc/83/60/16/1302836016.db2.gz MBKOABQSHHEMJJ-ZDUSSCGKSA-N 1 0 343.811 2.837 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000794652943 1302903169 /nfs/dbraw/zinc/90/31/69/1302903169.db2.gz BKTYJQVIDXDDHJ-KRWDZBQOSA-N 1 0 330.388 2.917 20 5 EFBDRO C[NH+](C)C1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000864501723 1302951787 /nfs/dbraw/zinc/95/17/87/1302951787.db2.gz HUSLQRCPGUEGHC-UHFFFAOYSA-N 1 0 337.395 2.657 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](CC1CC1)CC1CCC1 ZINC000794715882 1303038063 /nfs/dbraw/zinc/03/80/63/1303038063.db2.gz ZDHXUVHLPROWPQ-UHFFFAOYSA-N 1 0 331.372 2.972 20 5 EFBDRO C[NH+](C)CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000865050573 1303138575 /nfs/dbraw/zinc/13/85/75/1303138575.db2.gz UKXPFLYUIXYBGO-UHFFFAOYSA-N 1 0 345.374 2.871 20 5 EFBDRO CC(C)C[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865427090 1303251569 /nfs/dbraw/zinc/25/15/69/1303251569.db2.gz NPWIPGBXLPVXTI-UHFFFAOYSA-N 1 0 325.384 2.759 20 5 EFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865437690 1303256981 /nfs/dbraw/zinc/25/69/81/1303256981.db2.gz RSIPSJKNRGKLQM-UHFFFAOYSA-N 1 0 328.363 2.582 20 5 EFBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865481465 1303280074 /nfs/dbraw/zinc/28/00/74/1303280074.db2.gz YLDAWBWPAOJTHA-UHFFFAOYSA-N 1 0 325.384 2.537 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)CC1 ZINC000865753475 1303386367 /nfs/dbraw/zinc/38/63/67/1303386367.db2.gz ONXNRXCYQWHLCF-UHFFFAOYSA-N 1 0 337.395 2.538 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NCCCCC[NH+]2CCCC2)cc1F ZINC000865833635 1303421921 /nfs/dbraw/zinc/42/19/21/1303421921.db2.gz KMAAIQVHNFFGHG-UHFFFAOYSA-N 1 0 325.384 2.904 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865930476 1303459941 /nfs/dbraw/zinc/45/99/41/1303459941.db2.gz UNDLBJGVDGZDBA-NSHDSACASA-N 1 0 325.384 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000865959973 1303471508 /nfs/dbraw/zinc/47/15/08/1303471508.db2.gz XTKCJVKDSKRJHU-ZDUSSCGKSA-N 1 0 337.395 2.760 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccccc1 ZINC000866225337 1303572792 /nfs/dbraw/zinc/57/27/92/1303572792.db2.gz VFDWYZYAHQFOHP-BBRMVZONSA-N 1 0 348.374 2.694 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccccc1 ZINC000866225340 1303572957 /nfs/dbraw/zinc/57/29/57/1303572957.db2.gz VFDWYZYAHQFOHP-XJKSGUPXSA-N 1 0 348.374 2.694 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)OCCO2 ZINC000866236188 1303575540 /nfs/dbraw/zinc/57/55/40/1303575540.db2.gz AFHYCEYBZJCXQE-LBPRGKRZSA-N 1 0 338.379 2.940 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)OCCO2 ZINC000866236186 1303575846 /nfs/dbraw/zinc/57/58/46/1303575846.db2.gz AFHYCEYBZJCXQE-GFCCVEGCSA-N 1 0 338.379 2.940 20 5 EFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242658 1303576811 /nfs/dbraw/zinc/57/68/11/1303576811.db2.gz LMQLCOJIMQDSOI-NEPJUHHUSA-N 1 0 325.384 2.559 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000866288634 1303590811 /nfs/dbraw/zinc/59/08/11/1303590811.db2.gz ZFQVURFDIOMUJZ-STQMWFEESA-N 1 0 336.363 2.699 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)NC(C)(C)C ZINC000866293994 1303591866 /nfs/dbraw/zinc/59/18/66/1303591866.db2.gz BECMYNUXMPJWFU-NSHDSACASA-N 1 0 325.384 2.559 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOC1CCOCC1 ZINC000866300576 1303593969 /nfs/dbraw/zinc/59/39/69/1303593969.db2.gz BXUJCKHIYVWZTK-CYBMUJFWSA-N 1 0 340.395 2.840 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866303511 1303595005 /nfs/dbraw/zinc/59/50/05/1303595005.db2.gz UBEZLMOGVAZXBO-RISCZKNCSA-N 1 0 337.395 2.654 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNC(=O)C1CCC1 ZINC000866302292 1303595019 /nfs/dbraw/zinc/59/50/19/1303595019.db2.gz GGTCXYABQPBJFT-GFCCVEGCSA-N 1 0 337.395 2.561 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866345478 1303611352 /nfs/dbraw/zinc/61/13/52/1303611352.db2.gz AYDILBDDFZOCRT-LBPRGKRZSA-N 1 0 337.395 2.561 20 5 EFBDRO CCNC(=O)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866345476 1303611622 /nfs/dbraw/zinc/61/16/22/1303611622.db2.gz AYDILBDDFZOCRT-GFCCVEGCSA-N 1 0 337.395 2.561 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CCC1 ZINC000866352041 1303614304 /nfs/dbraw/zinc/61/43/04/1303614304.db2.gz GCYUKVAOQGIZAV-RKFFSXRUSA-N 1 0 328.409 2.556 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363986 1303616232 /nfs/dbraw/zinc/61/62/32/1303616232.db2.gz PDYPVPWYROORMJ-OLZOCXBDSA-N 1 0 339.411 2.807 20 5 EFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000866705521 1303759871 /nfs/dbraw/zinc/75/98/71/1303759871.db2.gz BKNQNVFFYVYURQ-KRWDZBQOSA-N 1 0 332.404 2.933 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121229757 1303789845 /nfs/dbraw/zinc/78/98/45/1303789845.db2.gz DLKSPTBXMDIKJO-OAHLLOKOSA-N 1 0 331.420 2.627 20 5 EFBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000867927567 1304022728 /nfs/dbraw/zinc/02/27/28/1304022728.db2.gz JGISXHZLDBRTEW-SGTLLEGYSA-N 1 0 345.374 2.828 20 5 EFBDRO Cc1ccccc1C[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942289 1304029788 /nfs/dbraw/zinc/02/97/88/1304029788.db2.gz OIBSJWSRYGFZGV-KUHUBIRLSA-N 1 0 341.411 2.825 20 5 EFBDRO Cc1ccccc1C[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942287 1304029833 /nfs/dbraw/zinc/02/98/33/1304029833.db2.gz OIBSJWSRYGFZGV-AUUYWEPGSA-N 1 0 341.411 2.825 20 5 EFBDRO C[C@H](Cc1cccs1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943144 1304031495 /nfs/dbraw/zinc/03/14/95/1304031495.db2.gz MZRSYNUVDGZDLR-BZNIZROVSA-N 1 0 333.413 2.578 20 5 EFBDRO CC(C)(CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000867944472 1304033100 /nfs/dbraw/zinc/03/31/00/1304033100.db2.gz VWUDYBDLMUCGRY-KRWDZBQOSA-N 1 0 347.440 2.924 20 5 EFBDRO Cc1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946502 1304034036 /nfs/dbraw/zinc/03/40/36/1304034036.db2.gz RXUIJVLNYFKNEZ-LJQANCHMSA-N 1 0 341.411 2.744 20 5 EFBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000867948422 1304036621 /nfs/dbraw/zinc/03/66/21/1304036621.db2.gz VSKFTCVCDANSAG-WMZOPIPTSA-N 1 0 343.358 2.712 20 5 EFBDRO CCc1ccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867950894 1304037788 /nfs/dbraw/zinc/03/77/88/1304037788.db2.gz IAPGBJZIKXJDFF-MRXNPFEDSA-N 1 0 333.413 2.709 20 5 EFBDRO CS[C@@H]1CCC[C@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867953131 1304040333 /nfs/dbraw/zinc/04/03/33/1304040333.db2.gz NRTQUVVWLKHZOF-JGGQBBKZSA-N 1 0 337.445 2.559 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867957117 1304044976 /nfs/dbraw/zinc/04/49/76/1304044976.db2.gz BQUYPTKLCSJJOU-SFHVURJKSA-N 1 0 339.395 2.617 20 5 EFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869275021 1304692187 /nfs/dbraw/zinc/69/21/87/1304692187.db2.gz YFRNRXHDQZVBSE-ZDUSSCGKSA-N 1 0 337.395 2.513 20 5 EFBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000721146359 1304830710 /nfs/dbraw/zinc/83/07/10/1304830710.db2.gz MFLYZLUBNAYAEV-SSDOTTSWSA-N 1 0 341.165 2.730 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869817243 1304987353 /nfs/dbraw/zinc/98/73/53/1304987353.db2.gz KUDUMRYEAFHIGL-UHFFFAOYSA-N 1 0 337.379 2.553 20 5 EFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)c1 ZINC000870909075 1305674550 /nfs/dbraw/zinc/67/45/50/1305674550.db2.gz JPWWCOVSWXNHGN-MRXNPFEDSA-N 1 0 333.432 2.521 20 5 EFBDRO COc1c(C(=O)NCCC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000870955733 1305708991 /nfs/dbraw/zinc/70/89/91/1305708991.db2.gz YMBJMGAGGSPOKG-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000870960509 1305713458 /nfs/dbraw/zinc/71/34/58/1305713458.db2.gz FAWQQRUTFQWIIE-UHFFFAOYSA-N 1 0 349.431 2.600 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870963207 1305714676 /nfs/dbraw/zinc/71/46/76/1305714676.db2.gz VUZJTJWDDZSSRI-SUMWQHHRSA-N 1 0 327.384 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000748816229 1314135720 /nfs/dbraw/zinc/13/57/20/1314135720.db2.gz WNSNNFPMWYEYLB-AWEZNQCLSA-N 1 0 336.775 2.778 20 5 EFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218044067 1315137944 /nfs/dbraw/zinc/13/79/44/1315137944.db2.gz QYQJGJRJFPDROD-RDDDGLTNSA-N 1 0 333.157 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218406706 1315191278 /nfs/dbraw/zinc/19/12/78/1315191278.db2.gz VYNVGGGSHVPDFY-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218461532 1315200211 /nfs/dbraw/zinc/20/02/11/1315200211.db2.gz SIFBPLBPSADWHA-AQUOVQTQSA-N 1 0 327.178 2.734 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3cnc(N4CC[NH2+]CC4)nc3)nc12 ZINC001241894774 1314161915 /nfs/dbraw/zinc/16/19/15/1314161915.db2.gz GXILSBVGNROJJW-UHFFFAOYSA-N 1 0 342.406 2.650 20 5 EFBDRO CC1(NC(=O)c2ccco2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045343875 1307258799 /nfs/dbraw/zinc/25/87/99/1307258799.db2.gz FUGXOLMEEVEPFO-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO CC1(NC(=O)c2cc[nH]c2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045445907 1307344296 /nfs/dbraw/zinc/34/42/96/1307344296.db2.gz IJYOWVLLZNAGTC-UHFFFAOYSA-N 1 0 342.399 2.707 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000749004823 1314226533 /nfs/dbraw/zinc/22/65/33/1314226533.db2.gz ISPTVBFLDUVTJV-UHFFFAOYSA-N 1 0 331.401 2.860 20 5 EFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900478835 1308200357 /nfs/dbraw/zinc/20/03/57/1308200357.db2.gz YJQLZDMBXASWSR-SNVBAGLBSA-N 1 0 326.784 2.902 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000900518202 1308248069 /nfs/dbraw/zinc/24/80/69/1308248069.db2.gz BODVYOALFZSXME-LLVKDONJSA-N 1 0 341.770 2.698 20 5 EFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000900518206 1308248188 /nfs/dbraw/zinc/24/81/88/1308248188.db2.gz BODVYOALFZSXME-NSHDSACASA-N 1 0 341.770 2.698 20 5 EFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900693705 1308541321 /nfs/dbraw/zinc/54/13/21/1308541321.db2.gz AMBGNNOSUYHHCW-VIFPVBQESA-N 1 0 331.775 2.847 20 5 EFBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)nc2)CC1 ZINC001210394654 1314325770 /nfs/dbraw/zinc/32/57/70/1314325770.db2.gz FQZJPTYPSCBWSE-UHFFFAOYSA-N 1 0 344.371 2.912 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000901271356 1310018546 /nfs/dbraw/zinc/01/85/46/1310018546.db2.gz MMLVPWKJPPGDJV-VHSXEESVSA-N 1 0 343.786 2.942 20 5 EFBDRO CC[NH2+]Cc1ccn(Cc2cc(-c3ccccc3[N+](=O)[O-])no2)n1 ZINC000901396413 1310332281 /nfs/dbraw/zinc/33/22/81/1310332281.db2.gz RIDOXEMUYAGOIF-UHFFFAOYSA-N 1 0 327.344 2.604 20 5 EFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801544185 1310493028 /nfs/dbraw/zinc/49/30/28/1310493028.db2.gz BZCNICIKOLSGQS-NSHDSACASA-N 1 0 339.367 2.690 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000801556241 1310519485 /nfs/dbraw/zinc/51/94/85/1310519485.db2.gz YLEYPJFHXHEXGD-INIZCTEOSA-N 1 0 331.347 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000801569852 1310541379 /nfs/dbraw/zinc/54/13/79/1310541379.db2.gz GDQRZPDMNUTWJE-HNNXBMFYSA-N 1 0 328.368 2.957 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801600582 1310578879 /nfs/dbraw/zinc/57/88/79/1310578879.db2.gz QXXKDIQOUWUDAC-QGZVFWFLSA-N 1 0 345.355 2.711 20 5 EFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749649643 1311035917 /nfs/dbraw/zinc/03/59/17/1311035917.db2.gz XUEXILZVVMBFFI-QZTJIDSGSA-N 1 0 329.400 2.521 20 5 EFBDRO Cc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000749687423 1311037548 /nfs/dbraw/zinc/03/75/48/1311037548.db2.gz JQSOTFGHYSYLIY-MAUKXSAKSA-N 1 0 342.399 2.606 20 5 EFBDRO COc1ccc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749688287 1311037621 /nfs/dbraw/zinc/03/76/21/1311037621.db2.gz KTPPQUARPYAMQV-SFHVURJKSA-N 1 0 330.384 2.859 20 5 EFBDRO Cc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000749688132 1311037679 /nfs/dbraw/zinc/03/76/79/1311037679.db2.gz JQSOTFGHYSYLIY-YJBOKZPZSA-N 1 0 342.399 2.606 20 5 EFBDRO COc1ccc(COC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000801874220 1311041855 /nfs/dbraw/zinc/04/18/55/1311041855.db2.gz MYGLHMQCAZKVOX-UHFFFAOYSA-N 1 0 334.372 2.521 20 5 EFBDRO Cc1nc(N(CCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000751897386 1311140298 /nfs/dbraw/zinc/14/02/98/1311140298.db2.gz QLBUUEONOIADKZ-UHFFFAOYSA-N 1 0 328.416 2.909 20 5 EFBDRO C[NH+]1CCC(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC001222510076 1311144340 /nfs/dbraw/zinc/14/43/40/1311144340.db2.gz XVAWOYGMUHUKTF-UHFFFAOYSA-N 1 0 337.395 2.814 20 5 EFBDRO O=C(/C=C\C1CC1)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222730107 1311177355 /nfs/dbraw/zinc/17/73/55/1311177355.db2.gz DBVNSXNFKVBBCF-SREVYHEPSA-N 1 0 343.427 2.889 20 5 EFBDRO C/C=C(/C)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222756142 1311179967 /nfs/dbraw/zinc/17/99/67/1311179967.db2.gz KQVLEQMCUPLZJZ-BNNQUZSASA-N 1 0 331.416 2.889 20 5 EFBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001222773482 1311182103 /nfs/dbraw/zinc/18/21/03/1311182103.db2.gz JVKOIGWZCPPAEI-ITGUQSILSA-N 1 0 334.372 2.523 20 5 EFBDRO CC1(C(=O)NCC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001223267024 1311234746 /nfs/dbraw/zinc/23/47/46/1311234746.db2.gz WAKDQASNWAHETR-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO COC(=O)c1c(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001223292890 1311239023 /nfs/dbraw/zinc/23/90/23/1311239023.db2.gz CJORRQPIBUMGMJ-WDNDVIMCSA-N 1 0 334.372 2.523 20 5 EFBDRO COC(=O)c1c(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001223298889 1311239703 /nfs/dbraw/zinc/23/97/03/1311239703.db2.gz WYNYCOMJZWLCBH-FVCICTRLSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CCC([NH+](C)C)CC1 ZINC001223447837 1311262154 /nfs/dbraw/zinc/26/21/54/1311262154.db2.gz BBCXAVYFOOPMJV-UHFFFAOYSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)[C@H](OC1CCC([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223643963 1311286022 /nfs/dbraw/zinc/28/60/22/1311286022.db2.gz RGOWTCXWYTVQPQ-SEEARECTSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)[C@@H](O[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223645672 1311286048 /nfs/dbraw/zinc/28/60/48/1311286048.db2.gz CIGBMXJLALISCL-BBRMVZONSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)[C@@H](OC1CC[NH+](C(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644710 1311286120 /nfs/dbraw/zinc/28/61/20/1311286120.db2.gz WZQSSHFPAPDLEP-INIZCTEOSA-N 1 0 336.388 2.698 20 5 EFBDRO COC(=O)c1cc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001223688267 1311292459 /nfs/dbraw/zinc/29/24/59/1311292459.db2.gz HFAYEICHAUXKFZ-FOLVSLTJSA-N 1 0 334.372 2.523 20 5 EFBDRO COCCC[NH+]1CCC(OCc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC001223811625 1311306981 /nfs/dbraw/zinc/30/69/81/1311306981.db2.gz UPEYBUAONIYTPQ-UHFFFAOYSA-N 1 0 338.404 2.621 20 5 EFBDRO CCOC(=O)c1ccc(COC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001223967294 1311327053 /nfs/dbraw/zinc/32/70/53/1311327053.db2.gz XIXSRLARABSLJQ-UHFFFAOYSA-N 1 0 348.399 2.915 20 5 EFBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001158736561 1311377294 /nfs/dbraw/zinc/37/72/94/1311377294.db2.gz JRALXYORVMQLRU-AWEZNQCLSA-N 1 0 328.372 2.777 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)OCCCCOc1ccc2c(c1)NC(=O)CC2 ZINC001224474512 1311396210 /nfs/dbraw/zinc/39/62/10/1311396210.db2.gz KWIXOWHOMIPJCM-HNNXBMFYSA-O 1 0 335.468 2.842 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](OCCC[N+](C)(C)C)CC1 ZINC001224619784 1311414068 /nfs/dbraw/zinc/41/40/68/1311414068.db2.gz QPJMIUHUMCJVCE-GJZGRUSLSA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](OCCC[N+](C)(C)C)CS2 ZINC001224618315 1311414268 /nfs/dbraw/zinc/41/42/68/1311414268.db2.gz DUPJSGIIIHGSKV-CQSZACIVSA-N 1 0 345.529 2.594 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H](OCCC[N+](C)(C)C)[C@H](F)C1 ZINC001224617984 1311414420 /nfs/dbraw/zinc/41/44/20/1311414420.db2.gz BCZUYACNQFRUEN-CABCVRRESA-N 1 0 333.468 2.837 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621110 1311414583 /nfs/dbraw/zinc/41/45/83/1311414583.db2.gz MMDYZPNCPMIIMF-CYBMUJFWSA-N 1 0 337.431 2.744 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2OCCC[N+](C)(C)C)C1 ZINC001224619797 1311414752 /nfs/dbraw/zinc/41/47/52/1311414752.db2.gz QUSLNOUPOMVHNQ-MAUKXSAKSA-N 1 0 327.489 2.889 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001158927315 1311417937 /nfs/dbraw/zinc/41/79/37/1311417937.db2.gz GUWDTDDZFJTJNY-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC[N+](C)(C)C ZINC001224771359 1311432695 /nfs/dbraw/zinc/43/26/95/1311432695.db2.gz LIBHNMDMGNFKNS-OWCLPIDISA-N 1 0 327.489 2.745 20 5 EFBDRO CCOC(=O)C(F)(F)[C@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224774254 1311433024 /nfs/dbraw/zinc/43/30/24/1311433024.db2.gz PNRLGYIRKYKGIX-CQSZACIVSA-N 1 0 334.358 2.788 20 5 EFBDRO Cc1ccnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1[N+](=O)[O-] ZINC001159010741 1311433521 /nfs/dbraw/zinc/43/35/21/1311433521.db2.gz NDJHXDUBQXIJQN-UHFFFAOYSA-N 1 0 338.411 2.940 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159009922 1311433524 /nfs/dbraw/zinc/43/35/24/1311433524.db2.gz CVLVHMCXQGPBQS-UHFFFAOYSA-N 1 0 342.374 2.770 20 5 EFBDRO C[NH+](C)C1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224987904 1311459886 /nfs/dbraw/zinc/45/98/86/1311459886.db2.gz XDUQBRBIWIITKU-UHFFFAOYSA-N 1 0 336.388 2.527 20 5 EFBDRO CSCC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159169184 1311465616 /nfs/dbraw/zinc/46/56/16/1311465616.db2.gz ZAMWHJNMFHOHOB-UHFFFAOYSA-N 1 0 349.456 2.596 20 5 EFBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159334237 1311496865 /nfs/dbraw/zinc/49/68/65/1311496865.db2.gz QSHIOAPOQGYDNX-XAVKZTDYSA-N 1 0 326.356 2.813 20 5 EFBDRO C[NH+](C)Cc1ccc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001225331293 1311508345 /nfs/dbraw/zinc/50/83/45/1311508345.db2.gz AOTNZSXVDFBTHN-KRWDZBQOSA-N 1 0 342.399 2.709 20 5 EFBDRO COc1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159454656 1311519642 /nfs/dbraw/zinc/51/96/42/1311519642.db2.gz FKGRCEUTNVVJJG-UHFFFAOYSA-N 1 0 328.372 2.757 20 5 EFBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225435499 1311523564 /nfs/dbraw/zinc/52/35/64/1311523564.db2.gz RSAJBMWBSBHGGR-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159571501 1311543259 /nfs/dbraw/zinc/54/32/59/1311543259.db2.gz MFIZUBQAVLIVEO-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO COc1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001159592397 1311547630 /nfs/dbraw/zinc/54/76/30/1311547630.db2.gz SJTOCYHFRWOQBV-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO COc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC001159592266 1311547688 /nfs/dbraw/zinc/54/76/88/1311547688.db2.gz PDBMWVHDBUOXFC-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001159592597 1311547719 /nfs/dbraw/zinc/54/77/19/1311547719.db2.gz ZCEWZKAHATXEPB-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001225594194 1311549905 /nfs/dbraw/zinc/54/99/05/1311549905.db2.gz IBCUKVLFDDEMKZ-JYAVWHMHSA-N 1 0 335.360 2.921 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001225613349 1311553323 /nfs/dbraw/zinc/55/33/23/1311553323.db2.gz PGSIZGVUBQTUCR-CQSZACIVSA-N 1 0 336.388 2.626 20 5 EFBDRO O=[N+]([O-])c1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)ccc1F ZINC001159631337 1311555855 /nfs/dbraw/zinc/55/58/55/1311555855.db2.gz NVGZSSVYQDGKJU-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO O=c1cc[nH]c(OC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001225660001 1311561362 /nfs/dbraw/zinc/56/13/62/1311561362.db2.gz BINHJZYZJRMGJP-UHFFFAOYSA-N 1 0 329.356 2.739 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667691 1311562525 /nfs/dbraw/zinc/56/25/25/1311562525.db2.gz WUQXLADZOUYTQP-BBRMVZONSA-N 1 0 343.383 2.985 20 5 EFBDRO CC[NH+]1CCC(Oc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001225748573 1311572403 /nfs/dbraw/zinc/57/24/03/1311572403.db2.gz VAKSZXBJRYGCIO-UHFFFAOYSA-N 1 0 330.182 2.615 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001225754118 1311573004 /nfs/dbraw/zinc/57/30/04/1311573004.db2.gz SOMBNKPZRHXKQX-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO COc1ccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001225768047 1311575054 /nfs/dbraw/zinc/57/50/54/1311575054.db2.gz XEKJVRCKJKLTSO-AWEZNQCLSA-N 1 0 336.388 2.626 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225916811 1311590474 /nfs/dbraw/zinc/59/04/74/1311590474.db2.gz ARKHKOXCSGMHFT-LLVKDONJSA-N 1 0 334.294 2.713 20 5 EFBDRO CCOC(=O)c1cnc(-c2ccccc2)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226193125 1311626972 /nfs/dbraw/zinc/62/69/72/1311626972.db2.gz QTWJBQASFWHANW-AWEZNQCLSA-N 1 0 344.435 2.794 20 5 EFBDRO COc1ncnc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001160012803 1311628479 /nfs/dbraw/zinc/62/84/79/1311628479.db2.gz SPHRWRFDXUWFMH-NSHDSACASA-N 1 0 341.371 2.535 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3N)c2c1 ZINC001160013368 1311629017 /nfs/dbraw/zinc/62/90/17/1311629017.db2.gz QKVUIVSUHFZXLS-NSHDSACASA-N 1 0 325.372 2.714 20 5 EFBDRO CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106858 1311644286 /nfs/dbraw/zinc/64/42/86/1311644286.db2.gz FIAHIQQXBXYFTL-HZPDHXFCSA-N 1 0 337.464 2.616 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3nc(Cl)ccc3[N+](=O)[O-])O2)CC1 ZINC001226366995 1311656288 /nfs/dbraw/zinc/65/62/88/1311656288.db2.gz SNWSQQWSUFIQKA-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3nc(Cl)ccc3[N+](=O)[O-])O2)CC1 ZINC001226366994 1311656521 /nfs/dbraw/zinc/65/65/21/1311656521.db2.gz SNWSQQWSUFIQKA-LLVKDONJSA-N 1 0 341.795 2.665 20 5 EFBDRO O=C(CC(F)(F)F)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226384555 1311659651 /nfs/dbraw/zinc/65/96/51/1311659651.db2.gz KMYVPIZLSQGVRJ-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO O=C(CC(F)(F)F)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226384455 1311659809 /nfs/dbraw/zinc/65/98/09/1311659809.db2.gz JBUGAGYAEXPOIK-UHFFFAOYSA-N 1 0 345.321 2.628 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423620 1311665107 /nfs/dbraw/zinc/66/51/07/1311665107.db2.gz ZENAXABHENBCOB-JTQLQIEISA-N 1 0 327.344 2.698 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160296812 1311683987 /nfs/dbraw/zinc/68/39/87/1311683987.db2.gz KTIBXXCOWHSUEB-UHFFFAOYSA-N 1 0 342.399 2.752 20 5 EFBDRO COc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160418357 1311706275 /nfs/dbraw/zinc/70/62/75/1311706275.db2.gz XMNHYCWRAIDWIH-UHFFFAOYSA-N 1 0 343.265 2.615 20 5 EFBDRO Cc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160422921 1311707055 /nfs/dbraw/zinc/70/70/55/1311707055.db2.gz CRGVYVFYGOLJAA-UHFFFAOYSA-N 1 0 327.266 2.914 20 5 EFBDRO C[C@@H]([C@H](Oc1ncc([N+](=O)[O-])cn1)c1ccccc1)[NH+]1CCCC1 ZINC001226732776 1311715153 /nfs/dbraw/zinc/71/51/53/1311715153.db2.gz YWJYWZQMMKYNEP-BBRMVZONSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226733188 1311715222 /nfs/dbraw/zinc/71/52/22/1311715222.db2.gz JILYGEKEEZGTOX-BBRMVZONSA-N 1 0 328.372 2.674 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226733189 1311715324 /nfs/dbraw/zinc/71/53/24/1311715324.db2.gz JILYGEKEEZGTOX-CJNGLKHVSA-N 1 0 328.372 2.674 20 5 EFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3cc(F)c([N+](=O)[O-])cc31)C2 ZINC001226803611 1311726212 /nfs/dbraw/zinc/72/62/12/1311726212.db2.gz DHZAOYFHQQETIC-URLYPYJESA-N 1 0 332.335 2.681 20 5 EFBDRO COCC[NH+]1CCC(Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908739 1311739314 /nfs/dbraw/zinc/73/93/14/1311739314.db2.gz NKAREQZNXHLHQU-UHFFFAOYSA-N 1 0 332.759 2.877 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(Cl)c([N+](=O)[O-])cn3)O2)CC1 ZINC001226918484 1311740844 /nfs/dbraw/zinc/74/08/44/1311740844.db2.gz XPCYFNBQHNIJRU-NSHDSACASA-N 1 0 341.795 2.665 20 5 EFBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001160660369 1311753174 /nfs/dbraw/zinc/75/31/74/1311753174.db2.gz LEHQJPMINQDSJH-LLVKDONJSA-N 1 0 335.795 2.640 20 5 EFBDRO Cc1nc(Cl)nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160659826 1311753212 /nfs/dbraw/zinc/75/32/12/1311753212.db2.gz BCADMHSFEFGXIB-NSHDSACASA-N 1 0 349.822 2.948 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC001227064011 1311757413 /nfs/dbraw/zinc/75/74/13/1311757413.db2.gz JVUMCAGBRKSIMR-UONOGXRCSA-N 1 0 328.372 2.908 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001160734787 1311771381 /nfs/dbraw/zinc/77/13/81/1311771381.db2.gz KIMRIYAVZNHOTF-MSOLQXFVSA-N 1 0 348.446 2.922 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160737272 1311771890 /nfs/dbraw/zinc/77/18/90/1311771890.db2.gz DCKGGYVSSZALGM-OXQOHEQNSA-N 1 0 334.419 2.674 20 5 EFBDRO CC(C)Oc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160745345 1311773409 /nfs/dbraw/zinc/77/34/09/1311773409.db2.gz WECRRAQEPVUGQA-VHSXEESVSA-N 1 0 348.325 2.729 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001160759202 1311775182 /nfs/dbraw/zinc/77/51/82/1311775182.db2.gz DYWFFRZJQNJBBV-UHFFFAOYSA-N 1 0 347.762 2.758 20 5 EFBDRO COCCC[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3o2)CC1 ZINC001227233134 1311780573 /nfs/dbraw/zinc/78/05/73/1311780573.db2.gz YTACHEHAKBUMSZ-UHFFFAOYSA-N 1 0 335.360 2.616 20 5 EFBDRO CCOC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001227301568 1311790894 /nfs/dbraw/zinc/79/08/94/1311790894.db2.gz PMPLVPDWVHZPEH-HALDLXJZSA-N 1 0 348.399 2.881 20 5 EFBDRO O=C(CCCF)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001160896727 1311804997 /nfs/dbraw/zinc/80/49/97/1311804997.db2.gz XLCQGCKZERHUSM-UHFFFAOYSA-N 1 0 349.406 2.983 20 5 EFBDRO CC(C)Oc1nc(-n2c(C[NH3+])cc3ccncc32)ccc1[N+](=O)[O-] ZINC001160962504 1311822441 /nfs/dbraw/zinc/82/24/41/1311822441.db2.gz LOUOQPADUVZGMD-UHFFFAOYSA-N 1 0 327.344 2.575 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC001160966431 1311823211 /nfs/dbraw/zinc/82/32/11/1311823211.db2.gz HGSPSSXLIVHPPP-MRVPVSSYSA-N 1 0 331.829 2.656 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)c2ccncc21 ZINC001227765986 1311852593 /nfs/dbraw/zinc/85/25/93/1311852593.db2.gz DBVBQHYNWQULTG-JTQLQIEISA-N 1 0 325.230 2.866 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990706 1311885442 /nfs/dbraw/zinc/88/54/42/1311885442.db2.gz PFSZOJACSZXOAA-HIFRSBDPSA-N 1 0 328.372 2.989 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccnc1NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491802 1311899921 /nfs/dbraw/zinc/89/99/21/1311899921.db2.gz PPHCPJQVXWVVMW-UHFFFAOYSA-N 1 0 347.806 2.815 20 5 EFBDRO COCCC1(CNc2nc(C)cc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001161503235 1311901958 /nfs/dbraw/zinc/90/19/58/1311901958.db2.gz GEQNFBLCQJTEMY-UHFFFAOYSA-N 1 0 342.827 2.770 20 5 EFBDRO CC1(CC(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001228333299 1311931930 /nfs/dbraw/zinc/93/19/30/1311931930.db2.gz WSZSLXZHQXOWLR-UHFFFAOYSA-N 1 0 331.416 2.866 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc(Cc2ccc(O)cc2)c1O ZINC001228601908 1311968567 /nfs/dbraw/zinc/96/85/67/1311968567.db2.gz OIXGTONOCPZBFZ-ZDUSSCGKSA-O 1 0 332.420 2.868 20 5 EFBDRO O=[N+]([O-])c1cncnc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001228656087 1311976419 /nfs/dbraw/zinc/97/64/19/1311976419.db2.gz YZYBUNQMNAFZTI-MUJYYYPQSA-N 1 0 340.383 2.959 20 5 EFBDRO Cc1[nH]c(=O)cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228685090 1311981654 /nfs/dbraw/zinc/98/16/54/1311981654.db2.gz XCYADNXCZDWKNE-AWEZNQCLSA-N 1 0 329.356 2.657 20 5 EFBDRO Nc1nc(Nc2ccc(Br)cc2C[NH3+])ccc1[N+](=O)[O-] ZINC001161852230 1311987007 /nfs/dbraw/zinc/98/70/07/1311987007.db2.gz GUKTYBVTARDKNX-UHFFFAOYSA-N 1 0 338.165 2.537 20 5 EFBDRO CCCCCCc1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228850542 1312009159 /nfs/dbraw/zinc/00/91/59/1312009159.db2.gz LZDQABMADHJJJH-QGZVFWFLSA-O 1 0 338.468 2.878 20 5 EFBDRO Cc1ccnc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC001161987879 1312022547 /nfs/dbraw/zinc/02/25/47/1312022547.db2.gz UEOOURZFHQOOQU-UHFFFAOYSA-N 1 0 344.390 2.978 20 5 EFBDRO COc1cccc(C2(Nc3cc([N+](=O)[O-])ccn3)CC[NH2+]CC2)c1 ZINC001161992602 1312024041 /nfs/dbraw/zinc/02/40/41/1312024041.db2.gz YKCXNDYMHQRKSE-UHFFFAOYSA-N 1 0 328.372 2.689 20 5 EFBDRO COc1cccc(C2(Nc3ccc([N+](=O)[O-])c(C)n3)CC[NH2+]CC2)c1 ZINC001161991869 1312024069 /nfs/dbraw/zinc/02/40/69/1312024069.db2.gz CUOUMQHDPWWYBK-UHFFFAOYSA-N 1 0 342.399 2.998 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)c(F)cc1Br ZINC001228941754 1312024499 /nfs/dbraw/zinc/02/44/99/1312024499.db2.gz NUICQSFRGXZDER-ZDUSSCGKSA-N 1 0 345.168 2.969 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)c(F)cc1Br ZINC001228941753 1312024533 /nfs/dbraw/zinc/02/45/33/1312024533.db2.gz NUICQSFRGXZDER-CYBMUJFWSA-N 1 0 345.168 2.969 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001161995378 1312024942 /nfs/dbraw/zinc/02/49/42/1312024942.db2.gz MXDGLVSCXJWRIW-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001228962140 1312027743 /nfs/dbraw/zinc/02/77/43/1312027743.db2.gz FPVPKONEVDZPEE-UHFFFAOYSA-N 1 0 328.752 2.508 20 5 EFBDRO CC(C)OCC(=[NH2+])NOCc1c(Br)cccc1[N+](=O)[O-] ZINC000902701546 1312034436 /nfs/dbraw/zinc/03/44/36/1312034436.db2.gz JMDCGIOZLOIICU-UHFFFAOYSA-N 1 0 346.181 2.781 20 5 EFBDRO O=[N+]([O-])c1c(Cl)ccnc1NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162033079 1312035741 /nfs/dbraw/zinc/03/57/41/1312035741.db2.gz GNBJDBBOXSRDAT-UHFFFAOYSA-N 1 0 347.806 2.772 20 5 EFBDRO Cc1c(C)c(NCC2(c3cccnc3)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001162037224 1312036430 /nfs/dbraw/zinc/03/64/30/1312036430.db2.gz QTOMFLSISIRCHE-UHFFFAOYSA-N 1 0 341.415 2.735 20 5 EFBDRO CC(F)(F)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001229037998 1312040511 /nfs/dbraw/zinc/04/05/11/1312040511.db2.gz SZIUYFMOQGBVTI-UHFFFAOYSA-N 1 0 341.358 2.721 20 5 EFBDRO CCC(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048690620 1312048799 /nfs/dbraw/zinc/04/87/99/1312048799.db2.gz BFBKOEIQAXTNDC-CALCHBBNSA-N 1 0 345.443 2.921 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc(/C=C/[N+](=O)[O-])cc3)O2)CC1 ZINC001229119213 1312050029 /nfs/dbraw/zinc/05/00/29/1312050029.db2.gz MXMQPTKXBVWBJU-VDZSZVPASA-N 1 0 332.400 2.956 20 5 EFBDRO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCN(C)C1 ZINC001229230673 1312064704 /nfs/dbraw/zinc/06/47/04/1312064704.db2.gz VZHIORCDTNHSOT-SNVBAGLBSA-N 1 0 343.177 2.643 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1(CF)CCC1 ZINC001229296325 1312074254 /nfs/dbraw/zinc/07/42/54/1312074254.db2.gz OYPBICWNNZZIJU-UHFFFAOYSA-N 1 0 349.406 2.815 20 5 EFBDRO C[NH+](C)CCC(=O)c1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1 ZINC001229303561 1312074742 /nfs/dbraw/zinc/07/47/42/1312074742.db2.gz UXLOSZXNBXSMLY-SFHVURJKSA-N 1 0 343.383 2.613 20 5 EFBDRO Cc1nc(Cl)nc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1[N+](=O)[O-] ZINC001162349509 1312092128 /nfs/dbraw/zinc/09/21/28/1312092128.db2.gz AHQOCYWOAOACBR-CQSZACIVSA-N 1 0 325.800 2.681 20 5 EFBDRO [NH3+][C@@H]1CCC[C@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001162397860 1312097894 /nfs/dbraw/zinc/09/78/94/1312097894.db2.gz ZJXCINLAKJRCFW-NEPJUHHUSA-N 1 0 329.360 2.859 20 5 EFBDRO C[NH+]1CCC2(CC[C@@H](COc3nc4cc([N+](=O)[O-])ccc4o3)O2)CC1 ZINC001229483781 1312103388 /nfs/dbraw/zinc/10/33/88/1312103388.db2.gz BGEUADFMOJQEDQ-ZDUSSCGKSA-N 1 0 347.371 2.758 20 5 EFBDRO CCOC(=O)c1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001162465312 1312108952 /nfs/dbraw/zinc/10/89/52/1312108952.db2.gz FRNRIYRXSNXDSQ-OCCSQVGLSA-N 1 0 335.404 2.819 20 5 EFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001162470775 1312109596 /nfs/dbraw/zinc/10/95/96/1312109596.db2.gz MCDKVYRXCGWWNN-OLZOCXBDSA-N 1 0 335.404 2.819 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])c(F)c1 ZINC001162525195 1312119320 /nfs/dbraw/zinc/11/93/20/1312119320.db2.gz KDDWVOZJKLZXHK-UHFFFAOYSA-N 1 0 334.307 2.508 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001162562542 1312125047 /nfs/dbraw/zinc/12/50/47/1312125047.db2.gz RKSAIONWJYNHJC-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162572203 1312126639 /nfs/dbraw/zinc/12/66/39/1312126639.db2.gz BGCAFMXFPRIMEF-CQSZACIVSA-N 1 0 343.790 2.809 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(C)c3C)C[C@H]1[N@@H+]2C ZINC001229880803 1312153560 /nfs/dbraw/zinc/15/35/60/1312153560.db2.gz IZQCKNLJCGKWDG-KMCQBPLKSA-N 1 0 348.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)n1 ZINC001229918999 1312159616 /nfs/dbraw/zinc/15/96/16/1312159616.db2.gz IIYSFVAEJPAPFO-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2ncc(Br)c(C)c2[N+](=O)[O-])C1 ZINC001230035342 1312175026 /nfs/dbraw/zinc/17/50/26/1312175026.db2.gz RFUNDYPVMWULPM-VIFPVBQESA-N 1 0 330.182 2.534 20 5 EFBDRO Cc1c(Br)cnc(OC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001230035302 1312175183 /nfs/dbraw/zinc/17/51/83/1312175183.db2.gz QTRHHKITVKUVRS-UHFFFAOYSA-N 1 0 330.182 2.534 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001230035698 1312175337 /nfs/dbraw/zinc/17/53/37/1312175337.db2.gz UGEVGSQEIGPIDB-SECBINFHSA-N 1 0 330.182 2.534 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc(Br)c(C)c2[N+](=O)[O-])C1 ZINC001230036889 1312175714 /nfs/dbraw/zinc/17/57/14/1312175714.db2.gz DWOUSOPREWOUFQ-SNVBAGLBSA-N 1 0 344.209 2.924 20 5 EFBDRO Cc1c(Br)cnc(O[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001230038223 1312175593 /nfs/dbraw/zinc/17/55/93/1312175593.db2.gz RYAVXZKHISAUMQ-JTQLQIEISA-N 1 0 344.209 2.922 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001230037470 1312175805 /nfs/dbraw/zinc/17/58/05/1312175805.db2.gz JXVKMIDOQVXBKA-LLVKDONJSA-N 1 0 342.193 2.534 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162794294 1312177332 /nfs/dbraw/zinc/17/73/32/1312177332.db2.gz OWWBQMCBNUFZTG-IRUJWGPZSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162794296 1312177351 /nfs/dbraw/zinc/17/73/51/1312177351.db2.gz OWWBQMCBNUFZTG-UFGOTCBOSA-N 1 0 330.775 2.982 20 5 EFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162804079 1312179066 /nfs/dbraw/zinc/17/90/66/1312179066.db2.gz ZUDSGYNOTMKYKB-IJLUTSLNSA-N 1 0 330.775 2.982 20 5 EFBDRO CC(=O)Nc1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001162810428 1312180787 /nfs/dbraw/zinc/18/07/87/1312180787.db2.gz TZEFJMOUCADGRY-UHFFFAOYSA-N 1 0 340.383 2.811 20 5 EFBDRO CON(C)C(=O)c1cc2ccccc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001230070214 1312182865 /nfs/dbraw/zinc/18/28/65/1312182865.db2.gz MEXZLMUGTZDJMU-AWEZNQCLSA-N 1 0 331.436 2.947 20 5 EFBDRO O=[N+]([O-])c1c(OCCN2C[C@H]3CC[C@@H](C2)O3)cccc1C(F)(F)F ZINC000902888061 1312184595 /nfs/dbraw/zinc/18/45/95/1312184595.db2.gz PYGKSVNEBLOZPX-PHIMTYICSA-N 1 0 346.305 2.856 20 5 EFBDRO Cc1c(N2C[C@@H]([NH3+])Cc3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162850702 1312189655 /nfs/dbraw/zinc/18/96/55/1312189655.db2.gz SKXNBMOHZAUOEH-LBPRGKRZSA-N 1 0 328.328 2.833 20 5 EFBDRO Cc1ccc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cn1 ZINC001162875178 1312193917 /nfs/dbraw/zinc/19/39/17/1312193917.db2.gz SBIBJCGMXIFTKP-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc([N+](=O)[O-])c3c2CNC3=O)c1 ZINC001162914900 1312203355 /nfs/dbraw/zinc/20/33/55/1312203355.db2.gz YJKIQXRPSPILOQ-JTQLQIEISA-N 1 0 336.351 2.802 20 5 EFBDRO COc1cccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001162964963 1312213761 /nfs/dbraw/zinc/21/37/61/1312213761.db2.gz DAKMJVPPSMKPCJ-CYBMUJFWSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001230314047 1312220634 /nfs/dbraw/zinc/22/06/34/1312220634.db2.gz CWVPXGVBFIDAHF-UHFFFAOYSA-N 1 0 344.327 2.946 20 5 EFBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230326981 1312222812 /nfs/dbraw/zinc/22/28/12/1312222812.db2.gz XPHJXYFNTQMGIP-GFCCVEGCSA-N 1 0 327.178 2.830 20 5 EFBDRO Cc1ccc2c(c1)[C@@H](Nc1nccnc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163023320 1312228270 /nfs/dbraw/zinc/22/82/70/1312228270.db2.gz CJSRWMSSCBBHHO-HNNXBMFYSA-N 1 0 339.399 2.871 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2scc(Br)c21 ZINC001230362949 1312229204 /nfs/dbraw/zinc/22/92/04/1312229204.db2.gz QUCPQZFYEPQCCT-MRVPVSSYSA-N 1 0 331.259 2.927 20 5 EFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001163053630 1312232984 /nfs/dbraw/zinc/23/29/84/1312232984.db2.gz STYPBFOKDMSPDT-CYBMUJFWSA-N 1 0 338.367 2.921 20 5 EFBDRO O=[N+]([O-])c1c(F)cc(F)cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163059456 1312234773 /nfs/dbraw/zinc/23/47/73/1312234773.db2.gz DWEUTXUXSAYADK-NSHDSACASA-N 1 0 336.342 2.896 20 5 EFBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061516 1312235261 /nfs/dbraw/zinc/23/52/61/1312235261.db2.gz WTBAYKAKGBJKCH-CQSZACIVSA-N 1 0 344.415 2.935 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)cc1 ZINC001163108573 1312242450 /nfs/dbraw/zinc/24/24/50/1312242450.db2.gz UNMVAUHLPPGMDZ-ATZDWAIDSA-N 1 0 339.395 2.908 20 5 EFBDRO O=C(CC1CC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163116862 1312244303 /nfs/dbraw/zinc/24/43/03/1312244303.db2.gz QDWKRQDTDCRYGH-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CC(F)(F)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163142502 1312250463 /nfs/dbraw/zinc/25/04/63/1312250463.db2.gz DBMGHQJSKGDXOU-UHFFFAOYSA-N 1 0 341.358 2.626 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)cc2)cc1 ZINC001163159206 1312253318 /nfs/dbraw/zinc/25/33/18/1312253318.db2.gz XKHFLVZTSSZPCG-LPHOPBHVSA-N 1 0 339.395 2.910 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc(C(F)(F)F)c1 ZINC001163171168 1312256210 /nfs/dbraw/zinc/25/62/10/1312256210.db2.gz JHUZEHIQSIJPBG-FZQKWOKYSA-N 1 0 345.321 2.650 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 ZINC001163180691 1312258992 /nfs/dbraw/zinc/25/89/92/1312258992.db2.gz HXFYVKMJCSYQEF-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001163180716 1312259016 /nfs/dbraw/zinc/25/90/16/1312259016.db2.gz ISXKSIBPMGXTAY-UHFFFAOYSA-N 1 0 349.412 2.939 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2)cc1 ZINC001163203959 1312263095 /nfs/dbraw/zinc/26/30/95/1312263095.db2.gz SSVMYGSVIFFVMC-AEFFLSMTSA-N 1 0 325.368 2.805 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3ncc(Cl)cc3[N+](=O)[O-])cn2)cc1 ZINC001163216251 1312265869 /nfs/dbraw/zinc/26/58/69/1312265869.db2.gz WHELIWZVHAJSND-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001163219063 1312266755 /nfs/dbraw/zinc/26/67/55/1312266755.db2.gz OZMQJKQXLGVWFQ-PBHICJAKSA-N 1 0 341.367 2.897 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228975 1312269840 /nfs/dbraw/zinc/26/98/40/1312269840.db2.gz NGUUOTGIHHARFS-CYBMUJFWSA-N 1 0 333.369 2.699 20 5 EFBDRO CC(C)(C)c1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163268151 1312278718 /nfs/dbraw/zinc/27/87/18/1312278718.db2.gz AUUCCKUSODYWMG-ACJLOTCBSA-N 1 0 348.447 2.858 20 5 EFBDRO CCOc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC001163274237 1312280222 /nfs/dbraw/zinc/28/02/22/1312280222.db2.gz HJDHJXFVFVLYMN-AWEZNQCLSA-N 1 0 328.372 2.515 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC001163280172 1312281020 /nfs/dbraw/zinc/28/10/20/1312281020.db2.gz RCFDLIWLZASHCI-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO COc1cccc([C@H](C[NH3+])Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001163311435 1312287153 /nfs/dbraw/zinc/28/71/53/1312287153.db2.gz FBOZIQNACKIYQM-AWEZNQCLSA-N 1 0 339.355 2.659 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163323047 1312289057 /nfs/dbraw/zinc/28/90/57/1312289057.db2.gz MBRFOCDLCXIDBL-FZMZJTMJSA-N 1 0 345.321 2.937 20 5 EFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001163320954 1312289294 /nfs/dbraw/zinc/28/92/94/1312289294.db2.gz AZDMMJCNEYSAGH-RISCZKNCSA-N 1 0 345.321 2.937 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccoc1 ZINC001163411014 1312307764 /nfs/dbraw/zinc/30/77/64/1312307764.db2.gz FRVQBXRLXVUASG-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC001163467141 1312319306 /nfs/dbraw/zinc/31/93/06/1312319306.db2.gz NAZUIYDLZATOCP-AWEZNQCLSA-N 1 0 344.371 2.505 20 5 EFBDRO Cc1ccc(F)cc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163514757 1312330500 /nfs/dbraw/zinc/33/05/00/1312330500.db2.gz LWPSMPWBRMGGAP-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO CN(CC[NH+](C)C)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001163590979 1312342712 /nfs/dbraw/zinc/34/27/12/1312342712.db2.gz NAOQUSLLZCHSIA-UHFFFAOYSA-N 1 0 335.795 2.703 20 5 EFBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001230879484 1312377168 /nfs/dbraw/zinc/37/71/68/1312377168.db2.gz PFVGRRIYVUHOBS-HAQNSBGRSA-N 1 0 341.795 2.665 20 5 EFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001163771140 1312381393 /nfs/dbraw/zinc/38/13/93/1312381393.db2.gz XPVCWAFZBBRIIN-QMMMGPOBSA-N 1 0 333.845 2.902 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC001163824194 1312388338 /nfs/dbraw/zinc/38/83/38/1312388338.db2.gz QEQYYOFVJGUZCQ-UHFFFAOYSA-N 1 0 347.806 2.751 20 5 EFBDRO [NH3+]CCN(CCO)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001163836708 1312392437 /nfs/dbraw/zinc/39/24/37/1312392437.db2.gz GIIVRIKUMSQDDF-UHFFFAOYSA-N 1 0 333.413 2.503 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001230939980 1312397529 /nfs/dbraw/zinc/39/75/29/1312397529.db2.gz VVPXYHWTSGXUIH-QMMMGPOBSA-N 1 0 336.181 2.970 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N(CCC[NH3+])C(C)C ZINC001164128749 1312453137 /nfs/dbraw/zinc/45/31/37/1312453137.db2.gz GXYAUADAXPARFF-UHFFFAOYSA-N 1 0 329.784 2.598 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cc(N(C)C)cc[nH+]1 ZINC000903197460 1312453157 /nfs/dbraw/zinc/45/31/57/1312453157.db2.gz OYAOHKFINXLOSK-LBPRGKRZSA-N 1 0 330.388 2.915 20 5 EFBDRO C[N@H+](CCCNC(=O)/C=C/c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC001231295780 1312473428 /nfs/dbraw/zinc/47/34/28/1312473428.db2.gz YQVRIRGZORBSEN-MDZDMXLPSA-N 1 0 343.383 2.839 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001231309163 1312475522 /nfs/dbraw/zinc/47/55/22/1312475522.db2.gz FKTQSGPXLDACCL-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO [NH3+]CCON=c1ccc2ccc3ccc(Br)nc3c2[nH]1 ZINC001164436062 1312512828 /nfs/dbraw/zinc/51/28/28/1312512828.db2.gz UKJAKIDTDHGMTF-UHFFFAOYSA-N 1 0 333.189 2.848 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164474684 1312521358 /nfs/dbraw/zinc/52/13/58/1312521358.db2.gz TVSDMVSLJOIADI-QWHCGFSZSA-N 1 0 327.388 2.615 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164473902 1312521411 /nfs/dbraw/zinc/52/14/11/1312521411.db2.gz KULJPUIFAXTRHC-NXEZZACHSA-N 1 0 335.795 2.755 20 5 EFBDRO CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001049183788 1312551149 /nfs/dbraw/zinc/55/11/49/1312551149.db2.gz JAUWIMFEKWQSHB-GASCZTMLSA-N 1 0 331.416 2.531 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001165074608 1312562920 /nfs/dbraw/zinc/56/29/20/1312562920.db2.gz NRTIEOMEYLLHQJ-JTQLQIEISA-N 1 0 335.795 2.722 20 5 EFBDRO CC(C)(C)[NH+]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165091080 1312566132 /nfs/dbraw/zinc/56/61/32/1312566132.db2.gz LUKIHFMRIUCXEH-UHFFFAOYSA-N 1 0 341.415 2.972 20 5 EFBDRO CC(C)[N@@H+]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C[C@H]1C ZINC001165199620 1312583705 /nfs/dbraw/zinc/58/37/05/1312583705.db2.gz DZVZLSKFNAXXLQ-CQSZACIVSA-N 1 0 341.415 2.971 20 5 EFBDRO CC1(C)CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903344196 1312584342 /nfs/dbraw/zinc/58/43/42/1312584342.db2.gz NANPLOFYXONIOW-GJZGRUSLSA-N 1 0 335.452 2.597 20 5 EFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165203343 1312585376 /nfs/dbraw/zinc/58/53/76/1312585376.db2.gz UUVXXHYWJPLJFD-KGLIPLIRSA-N 1 0 341.415 2.671 20 5 EFBDRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001165242978 1312593826 /nfs/dbraw/zinc/59/38/26/1312593826.db2.gz CMDIHLWVXKZALO-UHFFFAOYSA-N 1 0 346.765 2.896 20 5 EFBDRO C[N@@H+]1CCC[C@H](CCNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001165262563 1312597819 /nfs/dbraw/zinc/59/78/19/1312597819.db2.gz WZHVWOKXSXEGRT-LLVKDONJSA-N 1 0 333.367 2.821 20 5 EFBDRO Cc1cnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001165264507 1312598035 /nfs/dbraw/zinc/59/80/35/1312598035.db2.gz DWOYXDUEXMRSQK-CYBMUJFWSA-N 1 0 344.337 2.809 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(F)c1 ZINC001165267151 1312599144 /nfs/dbraw/zinc/59/91/44/1312599144.db2.gz ZEVVJXKVQCAWPY-LBPRGKRZSA-N 1 0 348.300 2.640 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc1-c1ccc(F)cc1 ZINC001165298383 1312605233 /nfs/dbraw/zinc/60/52/33/1312605233.db2.gz SXWRRINPJOCNQA-UONOGXRCSA-N 1 0 328.347 2.737 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165318977 1312608135 /nfs/dbraw/zinc/60/81/35/1312608135.db2.gz FZKUBEAPJGTUES-LBPRGKRZSA-N 1 0 339.827 2.705 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001165319827 1312608556 /nfs/dbraw/zinc/60/85/56/1312608556.db2.gz LWFXBFFCEZWLTC-QGZVFWFLSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCCC[C@H]3C3CC[NH2+]CC3)c21 ZINC001165322419 1312608621 /nfs/dbraw/zinc/60/86/21/1312608621.db2.gz IYQUNWVCTVQCAD-HNNXBMFYSA-N 1 0 341.415 2.897 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCCCC12CC[NH2+]CC2 ZINC001165335664 1312611559 /nfs/dbraw/zinc/61/15/59/1312611559.db2.gz SOEFXNHUORDLHG-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165349946 1312613337 /nfs/dbraw/zinc/61/33/37/1312613337.db2.gz LJNVVQAYVXDHQL-UONOGXRCSA-N 1 0 330.775 2.719 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(Cl)c1 ZINC001165350324 1312613370 /nfs/dbraw/zinc/61/33/70/1312613370.db2.gz UFIKDFGYIVZEIG-DZGCQCFKSA-N 1 0 330.775 2.719 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc1-c1ccc(F)cc1 ZINC001165397587 1312621111 /nfs/dbraw/zinc/62/11/11/1312621111.db2.gz WSCSXPXLRZJVCS-HIFRSBDPSA-N 1 0 328.347 2.737 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165416477 1312625332 /nfs/dbraw/zinc/62/53/32/1312625332.db2.gz HCGKPZIAQXKHCD-QAPCUYQASA-N 1 0 342.374 2.712 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]2CF)CC1 ZINC001165428648 1312628380 /nfs/dbraw/zinc/62/83/80/1312628380.db2.gz FZALOMYMFXTADT-BXUZGUMPSA-N 1 0 330.363 2.656 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]2CF)CC1 ZINC001165428649 1312628421 /nfs/dbraw/zinc/62/84/21/1312628421.db2.gz FZALOMYMFXTADT-FZMZJTMJSA-N 1 0 330.363 2.656 20 5 EFBDRO CCOc1cnc(NCC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165427115 1312628454 /nfs/dbraw/zinc/62/84/54/1312628454.db2.gz JLOSRWYYFNRJNN-UHFFFAOYSA-N 1 0 342.399 2.932 20 5 EFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165429093 1312628835 /nfs/dbraw/zinc/62/88/35/1312628835.db2.gz HIMHPGUNQIQCMD-JGVFFNPUSA-N 1 0 349.193 2.810 20 5 EFBDRO [NH3+]C1([C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]2CF)CC1 ZINC001165432750 1312629942 /nfs/dbraw/zinc/62/99/42/1312629942.db2.gz GUCSPZGFIKZNLV-DOMZBBRYSA-N 1 0 330.363 2.656 20 5 EFBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232222894 1312651605 /nfs/dbraw/zinc/65/16/05/1312651605.db2.gz IDANRIFBPCQPJD-FVQHAEBGSA-N 1 0 333.391 2.634 20 5 EFBDRO O=C1NCC[C@@]12CCC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220715 1312651718 /nfs/dbraw/zinc/65/17/18/1312651718.db2.gz SEPGIZXCIKFNKM-OAQYLSRUSA-N 1 0 346.434 2.885 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001019937304 1314542392 /nfs/dbraw/zinc/54/23/92/1314542392.db2.gz BXGKQKPNSMOEDU-HDJSIYSDSA-N 1 0 343.358 2.785 20 5 EFBDRO Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019949046 1314547451 /nfs/dbraw/zinc/54/74/51/1314547451.db2.gz DHLDYOYRYOSCHZ-WKILWMFISA-N 1 0 339.395 2.954 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cc(Cl)c[nH]1 ZINC001019986216 1314557917 /nfs/dbraw/zinc/55/79/17/1314557917.db2.gz BCSXTOKEMKCUGW-JOCQHMNTSA-N 1 0 348.790 2.627 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CC[C@H](C)C[NH2+]2)c1F ZINC001246107004 1314583594 /nfs/dbraw/zinc/58/35/94/1314583594.db2.gz RUTUIXPUVZDKPP-AVGNSLFASA-N 1 0 339.411 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@]1(F)CCCCNC1)CC2 ZINC001246116642 1314585342 /nfs/dbraw/zinc/58/53/42/1314585342.db2.gz WIYKFXAZXJSFCT-WMZOPIPTSA-N 1 0 335.423 2.914 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001246279992 1314605990 /nfs/dbraw/zinc/60/59/90/1314605990.db2.gz NHPGAGGZFHAFRS-KDOFPFPSSA-N 1 0 325.412 2.830 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020124225 1314621645 /nfs/dbraw/zinc/62/16/45/1314621645.db2.gz CPQXYZFNXCADGV-HDJSIYSDSA-N 1 0 342.399 2.536 20 5 EFBDRO CCC[C@@]1(CN[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001246454226 1314630887 /nfs/dbraw/zinc/63/08/87/1314630887.db2.gz AZZPWLRQJNLJKM-SJCJKPOMSA-N 1 0 339.411 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@](C)([NH3+])CC2)c1F ZINC001246553372 1314647269 /nfs/dbraw/zinc/64/72/69/1314647269.db2.gz RAWCYAIBLWYTJW-PXAZEXFGSA-N 1 0 339.411 2.877 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246590824 1314653301 /nfs/dbraw/zinc/65/33/01/1314653301.db2.gz IEDZYUPKKZYEDT-KSSFIOAISA-N 1 0 335.448 2.985 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246643414 1314662199 /nfs/dbraw/zinc/66/21/99/1314662199.db2.gz MQDQCQPXBJATGM-RDTXWAMCSA-N 1 0 333.432 2.752 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1C=CC=CC=C1 ZINC001020202617 1314665178 /nfs/dbraw/zinc/66/51/78/1314665178.db2.gz OLRVFNJDXVDCLX-QAQDUYKDSA-N 1 0 339.395 2.630 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]C[C@H]2C(C)C)c1F ZINC001246697832 1314672923 /nfs/dbraw/zinc/67/29/23/1314672923.db2.gz RZHIQNNFWMAUTO-WFASDCNBSA-N 1 0 339.411 2.603 20 5 EFBDRO COCCCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246809357 1314687110 /nfs/dbraw/zinc/68/71/10/1314687110.db2.gz QZADVNKPKJUKAC-NVXWUHKLSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1c1ccc(F)cc1)C2 ZINC001246889240 1314704266 /nfs/dbraw/zinc/70/42/66/1314704266.db2.gz WJYAAQMGQBUGBQ-MOPGFXCFSA-N 1 0 341.386 2.848 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1c1ccc(F)cc1)C2 ZINC001246889242 1314704381 /nfs/dbraw/zinc/70/43/81/1314704381.db2.gz WJYAAQMGQBUGBQ-OALUTQOASA-N 1 0 341.386 2.848 20 5 EFBDRO COc1ccc(C[C@H](C)N(C2CC2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246918738 1314707828 /nfs/dbraw/zinc/70/78/28/1314707828.db2.gz QDZPZAXZLMWURL-XJKSGUPXSA-N 1 0 333.432 2.751 20 5 EFBDRO COCCN([C@H]1CCC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246926670 1314708839 /nfs/dbraw/zinc/70/88/39/1314708839.db2.gz DMMVLLZLKUIQOI-HKUYNNGSSA-N 1 0 347.459 2.543 20 5 EFBDRO CCCC[C@@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001246932745 1314710444 /nfs/dbraw/zinc/71/04/44/1314710444.db2.gz RUVJUKDSVGIPDN-GDBMZVCRSA-N 1 0 335.448 2.998 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC001020300819 1314719925 /nfs/dbraw/zinc/71/99/25/1314719925.db2.gz DMECYRCEWCVGBA-JOCQHMNTSA-N 1 0 348.428 2.652 20 5 EFBDRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020304140 1314721973 /nfs/dbraw/zinc/72/19/73/1314721973.db2.gz OCYOMIQEIOOVHU-SHTZXODSSA-N 1 0 345.424 2.636 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CC[NH2+]C3=CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001246996781 1314727358 /nfs/dbraw/zinc/72/73/58/1314727358.db2.gz PMZVXTVYIDAUCE-CXAGYDPISA-N 1 0 331.416 2.876 20 5 EFBDRO O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001247597644 1314805958 /nfs/dbraw/zinc/80/59/58/1314805958.db2.gz ABQNTAXOHACXQS-FPYGCLRLSA-N 1 0 349.350 2.856 20 5 EFBDRO O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001247598429 1314806135 /nfs/dbraw/zinc/80/61/35/1314806135.db2.gz UBJYDWIXDMNZCN-QPJJXVBHSA-N 1 0 349.350 2.856 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC3(C2)CC[NH2+]CC3)n1 ZINC001247873713 1314858621 /nfs/dbraw/zinc/85/86/21/1314858621.db2.gz JBGTXLPCNMIXMT-SNVBAGLBSA-N 1 0 347.350 2.816 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4[C@H]5C[NH2+]C[C@H]54)n3)nc12 ZINC001247916969 1314866972 /nfs/dbraw/zinc/86/69/72/1314866972.db2.gz CEUZFHYYZOVGDF-QKDCVEJESA-N 1 0 343.390 2.841 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2ccccc2F)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC001248215432 1314906983 /nfs/dbraw/zinc/90/69/83/1314906983.db2.gz DOFUNYVXSYGZBN-GFCCVEGCSA-N 1 0 342.330 2.896 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)nc2)CC1 ZINC001216480623 1314960244 /nfs/dbraw/zinc/96/02/44/1314960244.db2.gz HQOADQACFPVTNY-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC001216482094 1314961037 /nfs/dbraw/zinc/96/10/37/1314961037.db2.gz VCDGIPKYPXQACV-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO C[NH2+]Cc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001216902794 1315021551 /nfs/dbraw/zinc/02/15/51/1315021551.db2.gz XZCAMDGUIKXQNE-UHFFFAOYSA-N 1 0 329.291 2.565 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CCCCC1 ZINC001249322872 1315053445 /nfs/dbraw/zinc/05/34/45/1315053445.db2.gz GXTWENHFWLNVRX-NSHDSACASA-N 1 0 335.339 2.629 20 5 EFBDRO [NH3+][C@@H](Cc1nnc(-c2ccc(F)cc2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716365 1315105365 /nfs/dbraw/zinc/10/53/65/1315105365.db2.gz GYWFKYASBDCATM-CQSZACIVSA-N 1 0 342.330 2.896 20 5 EFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217907296 1315120868 /nfs/dbraw/zinc/12/08/68/1315120868.db2.gz BJDDJDZPRUHMGV-ZDUSSCGKSA-N 1 0 337.395 2.719 20 5 EFBDRO CC1(C)[NH2+][C@H](CO[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CO1 ZINC001217917370 1315120962 /nfs/dbraw/zinc/12/09/62/1315120962.db2.gz WKPJFUFOJVYMJI-PWSUYJOCSA-N 1 0 334.294 2.939 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217946391 1315123550 /nfs/dbraw/zinc/12/35/50/1315123550.db2.gz FPCOUMVQJWYRDT-NEPJUHHUSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947424 1315123580 /nfs/dbraw/zinc/12/35/80/1315123580.db2.gz RJFHCUQESZTCQW-MWLCHTKSSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1Br ZINC001217950066 1315124025 /nfs/dbraw/zinc/12/40/25/1315124025.db2.gz OTPLEPLUQXUFJG-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO COc1cc(Br)c(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217969470 1315126425 /nfs/dbraw/zinc/12/64/25/1315126425.db2.gz WXNGOUYVUCUMHL-SECBINFHSA-N 1 0 345.193 2.887 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217972003 1315127166 /nfs/dbraw/zinc/12/71/66/1315127166.db2.gz BHULOJCHIYXYRT-SECBINFHSA-N 1 0 330.182 2.582 20 5 EFBDRO Cc1nc(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981033 1315128367 /nfs/dbraw/zinc/12/83/67/1315128367.db2.gz NVGKVJWPHOJJLX-ONGXEEELSA-N 1 0 348.172 2.530 20 5 EFBDRO Cc1nc(O[C@@H]2CCC[NH2+]C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC001217989105 1315129618 /nfs/dbraw/zinc/12/96/18/1315129618.db2.gz PWFBQTCGUCIPPQ-PRHODGIISA-N 1 0 344.209 2.828 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[NH2+]C[C@@H]1F)CCC2 ZINC001218001115 1315130797 /nfs/dbraw/zinc/13/07/97/1315130797.db2.gz PAZBDRKIAGTOLN-WDEREUQCSA-N 1 0 345.168 2.535 20 5 EFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001218001492 1315131939 /nfs/dbraw/zinc/13/19/39/1315131939.db2.gz WTFGAXICFCUELM-GXFFZTMASA-N 1 0 341.339 2.879 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218016120 1315134262 /nfs/dbraw/zinc/13/42/62/1315134262.db2.gz CBFRTZNLFOUGKY-RYUDHWBXSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218016934 1315134808 /nfs/dbraw/zinc/13/48/08/1315134808.db2.gz RDJQBOPSSKWCOH-GXSJLCMTSA-N 1 0 338.257 2.962 20 5 EFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218081894 1315145537 /nfs/dbraw/zinc/14/55/37/1315145537.db2.gz IWWLSBWVQCLZKQ-FRQCXROJSA-N 1 0 340.379 2.875 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(C(F)(F)F)c1 ZINC001218092016 1315147102 /nfs/dbraw/zinc/14/71/02/1315147102.db2.gz QHLYGJLICFWIDV-DGCLKSJQSA-N 1 0 331.294 2.920 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001318385536 1328570705 /nfs/dbraw/zinc/57/07/05/1328570705.db2.gz KGMZRBJOMNBHEP-HUUCEWRRSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218244093 1315170483 /nfs/dbraw/zinc/17/04/83/1315170483.db2.gz KWMXKJKGIAHCRV-AWEZNQCLSA-N 1 0 334.372 2.681 20 5 EFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+][C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218385793 1315187241 /nfs/dbraw/zinc/18/72/41/1315187241.db2.gz LQAGAEHRMUVMGZ-BZNIZROVSA-N 1 0 342.351 2.579 20 5 EFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001218386480 1315187317 /nfs/dbraw/zinc/18/73/17/1315187317.db2.gz LIGSSVUANDOLLB-KRTXAFLBSA-N 1 0 327.262 2.901 20 5 EFBDRO COc1cc(Br)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218393159 1315188539 /nfs/dbraw/zinc/18/85/39/1315188539.db2.gz NHNLEIFLKDDXLY-DTWKUNHWSA-N 1 0 345.193 2.885 20 5 EFBDRO COc1cc(Br)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218393161 1315188780 /nfs/dbraw/zinc/18/87/80/1315188780.db2.gz NHNLEIFLKDDXLY-RKDXNWHRSA-N 1 0 345.193 2.885 20 5 EFBDRO C[C@@H]1CC[C@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C[NH2+]1 ZINC001218398707 1315189926 /nfs/dbraw/zinc/18/99/26/1315189926.db2.gz MGQQFUVEOKOSRV-MNOVXSKESA-N 1 0 341.363 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1Br ZINC001218406594 1315191263 /nfs/dbraw/zinc/19/12/63/1315191263.db2.gz VDXAVQDPXWIAHX-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001218448668 1315197243 /nfs/dbraw/zinc/19/72/43/1315197243.db2.gz OMYBISMXNHJRMU-JTQLQIEISA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC001218447634 1315197137 /nfs/dbraw/zinc/19/71/37/1315197137.db2.gz IKEHGBVYZVOHJM-JTQLQIEISA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC001218450256 1315197924 /nfs/dbraw/zinc/19/79/24/1315197924.db2.gz XYYIQPIHTJHJDC-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218451381 1315198364 /nfs/dbraw/zinc/19/83/64/1315198364.db2.gz FRSYUHHVEBVHBI-HNNXBMFYSA-N 1 0 341.358 2.961 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(F)cc1Br ZINC001218460769 1315199752 /nfs/dbraw/zinc/19/97/52/1315199752.db2.gz NUVDGLZMYWNAQL-JOAULVNJSA-N 1 0 345.168 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218469411 1315201105 /nfs/dbraw/zinc/20/11/05/1315201105.db2.gz VRSUUYKWXXREEC-JVUFJMBOSA-N 1 0 345.168 2.873 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218484176 1315203979 /nfs/dbraw/zinc/20/39/79/1315203979.db2.gz JCUDEAYQKAPUOG-MRXNPFEDSA-N 1 0 328.324 2.605 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C[C@H]1CCCC[NH2+]1 ZINC001218860232 1315251634 /nfs/dbraw/zinc/25/16/34/1315251634.db2.gz VMGOUBYWMRHUBT-GFCCVEGCSA-N 1 0 335.411 2.836 20 5 EFBDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218858029 1315251805 /nfs/dbraw/zinc/25/18/05/1315251805.db2.gz UKHZMTUPIUCOHM-VOJFVSQTSA-N 1 0 335.411 2.692 20 5 EFBDRO Nc1ccc2n(C(=O)[C@@H]([NH3+])CC3CCC3)c3ccccc3cc-2c1=O ZINC001219255662 1315294791 /nfs/dbraw/zinc/29/47/91/1315294791.db2.gz JMVHRIRDSNPUAI-INIZCTEOSA-N 1 0 335.407 2.846 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001251758120 1315376525 /nfs/dbraw/zinc/37/65/25/1315376525.db2.gz HMFONSNREUFJCE-UONOGXRCSA-N 1 0 331.372 2.944 20 5 EFBDRO CC[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001221378293 1315518226 /nfs/dbraw/zinc/51/82/26/1315518226.db2.gz DPEGUDOBBYTLNF-UZLBHIALSA-N 1 0 336.435 2.750 20 5 EFBDRO CCOC(=O)CC(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465346 1315706619 /nfs/dbraw/zinc/70/66/19/1315706619.db2.gz WXKLXWQQRILNKQ-UHFFFAOYSA-N 1 0 349.431 2.885 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC001254464758 1315706693 /nfs/dbraw/zinc/70/66/93/1315706693.db2.gz IDDXHZQTDIEANL-UHFFFAOYSA-N 1 0 333.432 2.970 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cncs3)CC2)cc1 ZINC001254468893 1315706975 /nfs/dbraw/zinc/70/69/75/1315706975.db2.gz QCJJJWKBOULHAD-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(C4CCC4)CC3)CC2)cc1 ZINC001254475732 1315707291 /nfs/dbraw/zinc/70/72/91/1315707291.db2.gz JBQKZDPKBPTQFC-UHFFFAOYSA-N 1 0 344.459 2.734 20 5 EFBDRO C[C@@]1(O)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254475696 1315707455 /nfs/dbraw/zinc/70/74/55/1315707455.db2.gz HCXSGLDCBPWDGP-GOSISDBHSA-N 1 0 333.432 2.801 20 5 EFBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474109 1315707568 /nfs/dbraw/zinc/70/75/68/1315707568.db2.gz MBEIQUHDJIWITD-CABCVRRESA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@]34CCCOC4)CC2)cc1 ZINC001254472598 1315707660 /nfs/dbraw/zinc/70/76/60/1315707660.db2.gz FZNUHEWNVHEBPD-MSOLQXFVSA-N 1 0 331.416 2.722 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001254473331 1315707747 /nfs/dbraw/zinc/70/77/47/1315707747.db2.gz AQYVUHGPPUDOLY-UHFFFAOYSA-N 1 0 331.416 2.676 20 5 EFBDRO CC[N@H+](C1CCN(C)CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479060 1315707995 /nfs/dbraw/zinc/70/79/95/1315707995.db2.gz QCKMMFXSGNDUBS-UHFFFAOYSA-N 1 0 346.475 2.980 20 5 EFBDRO CN1C[C@@H]2CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC001254479919 1315708004 /nfs/dbraw/zinc/70/80/04/1315708004.db2.gz QBMRHWDTWXBGPZ-HNAYVOBHSA-N 1 0 344.459 2.590 20 5 EFBDRO CCC1(O)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254480230 1315708081 /nfs/dbraw/zinc/70/80/81/1315708081.db2.gz YZSFXRRPAZDGCW-UHFFFAOYSA-N 1 0 333.432 2.801 20 5 EFBDRO C[N@H+](CCN1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479683 1315708093 /nfs/dbraw/zinc/70/80/93/1315708093.db2.gz HMJYXZJGKQAGOD-UHFFFAOYSA-N 1 0 332.448 2.591 20 5 EFBDRO C[NH2+]Cc1c(C)nn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC001254479671 1315708186 /nfs/dbraw/zinc/70/81/86/1315708186.db2.gz HBHHCLCTQZVNLN-UHFFFAOYSA-N 1 0 343.431 2.969 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479469 1315708292 /nfs/dbraw/zinc/70/82/92/1315708292.db2.gz AIUVABVMLUJDDK-UHFFFAOYSA-N 1 0 346.475 2.980 20 5 EFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479709 1315708487 /nfs/dbraw/zinc/70/84/87/1315708487.db2.gz INEYEKJEOCOQQI-KRWDZBQOSA-N 1 0 347.415 2.591 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001001109030 1315712074 /nfs/dbraw/zinc/71/20/74/1315712074.db2.gz JQOJQOPFTDHGCF-UHFFFAOYSA-N 1 0 331.416 2.723 20 5 EFBDRO COC(=O)c1csc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254530787 1315719167 /nfs/dbraw/zinc/71/91/67/1315719167.db2.gz BCNIVJZFWDPBJZ-SNVBAGLBSA-N 1 0 335.385 2.559 20 5 EFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532595 1315719963 /nfs/dbraw/zinc/71/99/63/1315719963.db2.gz PFCJVQYHVMZBCM-ZDUSSCGKSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001254537298 1315721321 /nfs/dbraw/zinc/72/13/21/1315721321.db2.gz ZIPQLBULXDLPDG-MAUKXSAKSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCc2ccccc21 ZINC001254537295 1315721398 /nfs/dbraw/zinc/72/13/98/1315721398.db2.gz ZFVOUMBMTVPKOI-AWEZNQCLSA-N 1 0 339.395 2.705 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001254540969 1315721676 /nfs/dbraw/zinc/72/16/76/1315721676.db2.gz XOHWIGGAPKDQEX-XVTSOASTSA-N 1 0 345.443 2.954 20 5 EFBDRO CC(C)Oc1nccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254543195 1315721680 /nfs/dbraw/zinc/72/16/80/1315721680.db2.gz CLRUFAFEWRDENW-ZDUSSCGKSA-N 1 0 330.388 2.893 20 5 EFBDRO COCCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254544871 1315721740 /nfs/dbraw/zinc/72/17/40/1315721740.db2.gz YFCRHAJNCCRGLE-CQSZACIVSA-N 1 0 345.399 2.736 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC001254540704 1315721822 /nfs/dbraw/zinc/72/18/22/1315721822.db2.gz ULEIDGOKBUCWGM-KUHUBIRLSA-N 1 0 342.395 2.786 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC001254547153 1315722155 /nfs/dbraw/zinc/72/21/55/1315722155.db2.gz VTTBIRZVTCCKDU-CYBMUJFWSA-N 1 0 345.374 2.571 20 5 EFBDRO CCC(=O)N1CCC(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254546377 1315722408 /nfs/dbraw/zinc/72/24/08/1315722408.db2.gz RWNATOSQPKNYEJ-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001254550433 1315722569 /nfs/dbraw/zinc/72/25/69/1315722569.db2.gz JQPOZHPIZLJASR-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO CC(=O)N1CCC2(C1)CC[NH+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254553478 1315722814 /nfs/dbraw/zinc/72/28/14/1315722814.db2.gz VQSCCKMYJABURB-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001254558048 1315723200 /nfs/dbraw/zinc/72/32/00/1315723200.db2.gz SHVNTRVJPMOSBL-AWEZNQCLSA-N 1 0 346.431 2.656 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001254558049 1315723524 /nfs/dbraw/zinc/72/35/24/1315723524.db2.gz SHVNTRVJPMOSBL-CQSZACIVSA-N 1 0 346.431 2.656 20 5 EFBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C)C1=O ZINC001254560366 1315723729 /nfs/dbraw/zinc/72/37/29/1315723729.db2.gz FMGNFVOUTLYTAF-DOXZYTNZSA-N 1 0 345.443 2.716 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2cnccn2)CC1 ZINC001254563656 1315724066 /nfs/dbraw/zinc/72/40/66/1315724066.db2.gz AMFDUGUMQUMRJF-AWEZNQCLSA-N 1 0 342.399 2.859 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563108 1315724183 /nfs/dbraw/zinc/72/41/83/1315724183.db2.gz UANMSSCCHCKZTI-CQSZACIVSA-N 1 0 333.432 2.762 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001254564920 1315724576 /nfs/dbraw/zinc/72/45/76/1315724576.db2.gz BOCDFEKTHJLERB-HNNXBMFYSA-N 1 0 326.352 2.623 20 5 EFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565336 1315724674 /nfs/dbraw/zinc/72/46/74/1315724674.db2.gz DKYLWHGBUCJUDI-AWEZNQCLSA-N 1 0 349.431 2.955 20 5 EFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254566859 1315724895 /nfs/dbraw/zinc/72/48/95/1315724895.db2.gz UQEJBZZJNCFYII-UGQVUOCMSA-N 1 0 332.400 2.799 20 5 EFBDRO Cc1cncnc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571294 1315725150 /nfs/dbraw/zinc/72/51/50/1315725150.db2.gz RUGFDMLFAMEMQP-ZBFHGGJFSA-N 1 0 342.399 2.778 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001254568454 1315725227 /nfs/dbraw/zinc/72/52/27/1315725227.db2.gz GCHOWYOTLQPHJU-XJKSGUPXSA-N 1 0 331.416 2.516 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001254569098 1315725258 /nfs/dbraw/zinc/72/52/58/1315725258.db2.gz HWVIEPTUFJRITK-AWEZNQCLSA-N 1 0 331.416 2.613 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254570687 1315725373 /nfs/dbraw/zinc/72/53/73/1315725373.db2.gz POFKHNFQSOXIPK-NVXWUHKLSA-N 1 0 335.448 2.568 20 5 EFBDRO CCN1CC2(CC1=O)CC[NH+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254571582 1315725447 /nfs/dbraw/zinc/72/54/47/1315725447.db2.gz YFFDUZSZPJYUCC-OAHLLOKOSA-N 1 0 345.443 2.860 20 5 EFBDRO COc1cc2c(cn1)CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254570930 1315725509 /nfs/dbraw/zinc/72/55/09/1315725509.db2.gz QRIUOVHAPJEFFC-CYBMUJFWSA-N 1 0 327.384 2.988 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001254569116 1315725713 /nfs/dbraw/zinc/72/57/13/1315725713.db2.gz ICZOFAHNMQDMOP-RHSMWYFYSA-N 1 0 345.443 2.907 20 5 EFBDRO COc1cccc([C@@H](CCO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572700 1315725916 /nfs/dbraw/zinc/72/59/16/1315725916.db2.gz RYZYNXHJYLVXMI-VQIMIIECSA-N 1 0 342.395 2.784 20 5 EFBDRO COc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1O ZINC001254573075 1315725937 /nfs/dbraw/zinc/72/59/37/1315725937.db2.gz WJVGVJFRPZBOGO-OAHLLOKOSA-N 1 0 328.368 2.609 20 5 EFBDRO COc1cccc([C@@H](CCO)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572699 1315726056 /nfs/dbraw/zinc/72/60/56/1315726056.db2.gz RYZYNXHJYLVXMI-QFBILLFUSA-N 1 0 342.395 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OC3COC3)cc1)C2 ZINC001254573819 1315726085 /nfs/dbraw/zinc/72/60/85/1315726085.db2.gz CKIHZDYMXOJXJQ-INIZCTEOSA-N 1 0 340.379 2.629 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254571797 1315726090 /nfs/dbraw/zinc/72/60/90/1315726090.db2.gz BWCCKHMIFOKRQI-HNNXBMFYSA-N 1 0 328.368 2.739 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573464 1315726097 /nfs/dbraw/zinc/72/60/97/1315726097.db2.gz ABKAXOHTLVFADS-ZBFHGGJFSA-N 1 0 347.415 2.661 20 5 EFBDRO COc1cccc([C@H](CCO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572696 1315726147 /nfs/dbraw/zinc/72/61/47/1315726147.db2.gz RYZYNXHJYLVXMI-APWZRJJASA-N 1 0 342.395 2.784 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)C2 ZINC001254579374 1315726598 /nfs/dbraw/zinc/72/65/98/1315726598.db2.gz QSRGWHKYURWPEW-KRWDZBQOSA-N 1 0 338.411 2.847 20 5 EFBDRO CCN(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001254576929 1315726738 /nfs/dbraw/zinc/72/67/38/1315726738.db2.gz AXYRGUZPZCIEPU-HNNXBMFYSA-N 1 0 349.431 2.909 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3c1OCCO3)C2 ZINC001254581511 1315726903 /nfs/dbraw/zinc/72/69/03/1315726903.db2.gz LKAVJPWWKGDXOU-HNNXBMFYSA-N 1 0 326.352 2.623 20 5 EFBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccc(F)cc1 ZINC001254581068 1315726907 /nfs/dbraw/zinc/72/69/07/1315726907.db2.gz JSMHUQIQRXMERW-INIZCTEOSA-N 1 0 328.343 2.603 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585830 1315727784 /nfs/dbraw/zinc/72/77/84/1315727784.db2.gz GXHJPMKJJIIJDG-BMFZPTHFSA-N 1 0 332.400 2.774 20 5 EFBDRO COC(=O)c1ccccc1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588376 1315727815 /nfs/dbraw/zinc/72/78/15/1315727815.db2.gz DZLUVPOYZWSSDA-MRXNPFEDSA-N 1 0 340.379 2.681 20 5 EFBDRO N[C@H]([C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(F)(F)F ZINC001254587782 1315727884 /nfs/dbraw/zinc/72/78/84/1315727884.db2.gz BAQIGYIIKPTHNE-BYCMXARLSA-N 1 0 343.349 2.664 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254587285 1315727961 /nfs/dbraw/zinc/72/79/61/1315727961.db2.gz OPLRLDIRMLZFOX-HNNXBMFYSA-N 1 0 339.395 2.787 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ccc(F)cn3)CC1)C2 ZINC001254586236 1315728055 /nfs/dbraw/zinc/72/80/55/1315728055.db2.gz JDPZCCWGLUCESH-HNNXBMFYSA-N 1 0 327.359 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001254585849 1315728094 /nfs/dbraw/zinc/72/80/94/1315728094.db2.gz XRKOYFXORRGJBA-SJLPKXTDSA-N 1 0 330.359 2.914 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@](O)(C(F)(F)F)C1)C2 ZINC001254593397 1315728483 /nfs/dbraw/zinc/72/84/83/1315728483.db2.gz LZUMTBBPOQAAGJ-HUUCEWRRSA-N 1 0 344.333 2.841 20 5 EFBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592691 1315728540 /nfs/dbraw/zinc/72/85/40/1315728540.db2.gz FUKJGDWGQNNWIA-SUMWQHHRSA-N 1 0 332.400 2.727 20 5 EFBDRO Cc1nc(C2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)no1 ZINC001254597370 1315729075 /nfs/dbraw/zinc/72/90/75/1315729075.db2.gz CTVSTQWPOISCDX-INIZCTEOSA-N 1 0 328.372 2.633 20 5 EFBDRO CCN1C(=O)CCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595302 1315729113 /nfs/dbraw/zinc/72/91/13/1315729113.db2.gz IJDZALQYAIOALV-KRWDZBQOSA-N 1 0 343.427 2.539 20 5 EFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597439 1315729136 /nfs/dbraw/zinc/72/91/36/1315729136.db2.gz DQIYUOYMJZDVRB-CZUORRHYSA-N 1 0 332.400 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)C2 ZINC001254599319 1315729206 /nfs/dbraw/zinc/72/92/06/1315729206.db2.gz NUDBYLPIJJKAKH-HUUCEWRRSA-N 1 0 344.333 2.841 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO)C2 ZINC001254595740 1315729237 /nfs/dbraw/zinc/72/92/37/1315729237.db2.gz ZAEGEYJGBIKFBK-RBSFLKMASA-N 1 0 344.333 2.697 20 5 EFBDRO CCN1C(=O)CCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595303 1315729323 /nfs/dbraw/zinc/72/93/23/1315729323.db2.gz IJDZALQYAIOALV-QGZVFWFLSA-N 1 0 343.427 2.539 20 5 EFBDRO CC[C@@H]1[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2 ZINC001254596164 1315729332 /nfs/dbraw/zinc/72/93/32/1315729332.db2.gz PCIHNURMXSAXLM-LNLFQRSKSA-N 1 0 343.427 2.585 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001254599938 1315729751 /nfs/dbraw/zinc/72/97/51/1315729751.db2.gz MZPRCEVRLDNYML-AEFFLSMTSA-N 1 0 325.368 2.610 20 5 EFBDRO Cc1cnccc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606317 1315730246 /nfs/dbraw/zinc/73/02/46/1315730246.db2.gz GJHMHVARPKWLHX-MSOLQXFVSA-N 1 0 339.395 2.919 20 5 EFBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605010 1315730606 /nfs/dbraw/zinc/73/06/06/1315730606.db2.gz ZTDWMAJFOBXHEM-MRXNPFEDSA-N 1 0 326.352 2.923 20 5 EFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607936 1315730611 /nfs/dbraw/zinc/73/06/11/1315730611.db2.gz NNDRGBPIEQSDAE-INIZCTEOSA-N 1 0 349.431 2.909 20 5 EFBDRO CCc1noc([C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254609587 1315730968 /nfs/dbraw/zinc/73/09/68/1315730968.db2.gz XYWPJMYQYKVFKG-CJNGLKHVSA-N 1 0 342.399 2.887 20 5 EFBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611269 1315731083 /nfs/dbraw/zinc/73/10/83/1315731083.db2.gz OVYOKVZFMWYFIE-RHSMWYFYSA-N 1 0 332.400 2.727 20 5 EFBDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609394 1315731153 /nfs/dbraw/zinc/73/11/53/1315731153.db2.gz WAEINJDZCFLXTQ-MGHWNKPDSA-N 1 0 344.411 2.726 20 5 EFBDRO CCc1nnc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)o1 ZINC001254608273 1315731270 /nfs/dbraw/zinc/73/12/70/1315731270.db2.gz QDJASDKYPCXPEN-MRXNPFEDSA-N 1 0 342.399 2.887 20 5 EFBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609528 1315731349 /nfs/dbraw/zinc/73/13/49/1315731349.db2.gz WYNGGLJYLBEHFI-PBHICJAKSA-N 1 0 332.400 2.727 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001255580545 1315842874 /nfs/dbraw/zinc/84/28/74/1315842874.db2.gz IYRPXYUXMZAOFZ-DNXIFWLFSA-N 1 0 343.427 2.989 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001255580544 1315842984 /nfs/dbraw/zinc/84/29/84/1315842984.db2.gz IYRPXYUXMZAOFZ-DKGMDFAASA-N 1 0 343.427 2.989 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001255731273 1315862954 /nfs/dbraw/zinc/86/29/54/1315862954.db2.gz CYOIAIPTSNAQQD-ZIAGYGMSSA-N 1 0 335.404 2.514 20 5 EFBDRO COc1cc(N2CCC([NH2+]CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256084242 1315903225 /nfs/dbraw/zinc/90/32/25/1315903225.db2.gz XHEPQWNFPLPEFX-UHFFFAOYSA-N 1 0 337.420 2.587 20 5 EFBDRO COc1cc(N2CCC([NH2+]Cc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256082545 1315903334 /nfs/dbraw/zinc/90/33/34/1315903334.db2.gz HTTSHDSEILPHDJ-UHFFFAOYSA-N 1 0 348.428 2.819 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093216 1315903711 /nfs/dbraw/zinc/90/37/11/1315903711.db2.gz IGNVOJZJILQJSZ-CQSZACIVSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256089417 1315903714 /nfs/dbraw/zinc/90/37/14/1315903714.db2.gz SYYAFXAOAHRZNI-DZGCQCFKSA-N 1 0 349.431 2.729 20 5 EFBDRO COc1cc(N2CCC([NH2+]CC3CSC3)CC2)ccc1[N+](=O)[O-] ZINC001256086932 1315903784 /nfs/dbraw/zinc/90/37/84/1315903784.db2.gz IUQVEYASSKDJPI-UHFFFAOYSA-N 1 0 337.445 2.525 20 5 EFBDRO COc1cc(N2CCC(n3cccc3CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256089938 1315903893 /nfs/dbraw/zinc/90/38/93/1315903893.db2.gz LBTDDXREZYDJDB-UHFFFAOYSA-N 1 0 344.415 2.748 20 5 EFBDRO Cc1c(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cccc1[N+](=O)[O-] ZINC001258019620 1316111810 /nfs/dbraw/zinc/11/18/10/1316111810.db2.gz OBZQVEIVBGUWMG-RYUDHWBXSA-N 1 0 346.387 2.605 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258020348 1316112972 /nfs/dbraw/zinc/11/29/72/1316112972.db2.gz RPHIXOPAFSGLRS-BETUJISGSA-N 1 0 346.387 2.605 20 5 EFBDRO COCn1ncc(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001261214267 1316397116 /nfs/dbraw/zinc/39/71/16/1316397116.db2.gz PPHLJKVEGONBBF-UHFFFAOYSA-N 1 0 332.404 2.816 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001261637626 1316422334 /nfs/dbraw/zinc/42/23/34/1316422334.db2.gz AIDHOEWBSQCXMB-ZDUSSCGKSA-N 1 0 332.379 2.922 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC001261647979 1316422550 /nfs/dbraw/zinc/42/25/50/1316422550.db2.gz NREKGIISVQTPKX-VIFPVBQESA-N 1 0 333.779 2.840 20 5 EFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001261892450 1316436238 /nfs/dbraw/zinc/43/62/38/1316436238.db2.gz LEXLXUGLTKROPK-MZPVMMEZSA-N 1 0 339.351 2.934 20 5 EFBDRO C[C@H](NC(=O)C[C@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001263196689 1316521541 /nfs/dbraw/zinc/52/15/41/1316521541.db2.gz AQOBJQGELHRTCS-XJKSGUPXSA-N 1 0 327.384 2.732 20 5 EFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC001263234746 1316523658 /nfs/dbraw/zinc/52/36/58/1316523658.db2.gz KPJOWQNFRMOEFL-UHFFFAOYSA-N 1 0 335.429 2.851 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001263629699 1316552539 /nfs/dbraw/zinc/55/25/39/1316552539.db2.gz LOCYYLRKYDRMOU-GFCCVEGCSA-N 1 0 336.392 2.551 20 5 EFBDRO C[C@H](CO)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001319180812 1328798695 /nfs/dbraw/zinc/79/86/95/1328798695.db2.gz CBJIOLCXSGSPBA-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001319327469 1328849570 /nfs/dbraw/zinc/84/95/70/1328849570.db2.gz ZEMPZTFTLJXGPK-HIFRSBDPSA-N 1 0 349.456 2.700 20 5 EFBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC001319404375 1328874530 /nfs/dbraw/zinc/87/45/30/1328874530.db2.gz NGSRCEXEUGVIKP-YPMHNXCESA-N 1 0 335.433 2.821 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 ZINC001319604909 1328927020 /nfs/dbraw/zinc/92/70/20/1328927020.db2.gz YMYONXBJFDMKPR-ZDUSSCGKSA-N 1 0 340.387 2.547 20 5 EFBDRO C[NH+]1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001319799592 1328993667 /nfs/dbraw/zinc/99/36/67/1328993667.db2.gz WWHAWSXHGIVYIE-UHFFFAOYSA-N 1 0 340.427 2.954 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC001320028257 1329059288 /nfs/dbraw/zinc/05/92/88/1329059288.db2.gz SCHCHHANAWHQMB-INIZCTEOSA-N 1 0 342.399 2.818 20 5 EFBDRO COc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001320284324 1329107166 /nfs/dbraw/zinc/10/71/66/1329107166.db2.gz GKTUPMHQGGEYBK-UHFFFAOYSA-N 1 0 326.312 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001320495015 1329145276 /nfs/dbraw/zinc/14/52/76/1329145276.db2.gz CHGIAGWJKFNWIV-BYPUDFOVSA-N 1 0 326.356 2.957 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880247 1329313976 /nfs/dbraw/zinc/31/39/76/1329313976.db2.gz NNLGQLKDAGNCLK-ZANVPECISA-N 1 0 345.321 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)cc1Cl ZINC001320868908 1329312563 /nfs/dbraw/zinc/31/25/63/1329312563.db2.gz FDDCMRQKEMOYTN-CQSZACIVSA-N 1 0 342.823 2.763 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880243 1329313869 /nfs/dbraw/zinc/31/38/69/1329313869.db2.gz NNLGQLKDAGNCLK-RNCFNFMXSA-N 1 0 345.321 2.629 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001320880245 1329313874 /nfs/dbraw/zinc/31/38/74/1329313874.db2.gz NNLGQLKDAGNCLK-TVQRCGJNSA-N 1 0 345.321 2.629 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001321283109 1329367956 /nfs/dbraw/zinc/36/79/56/1329367956.db2.gz PJUHNGLIESLFCK-MRXNPFEDSA-N 1 0 328.372 2.874 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321695183 1329403641 /nfs/dbraw/zinc/40/36/41/1329403641.db2.gz SEHOQVRWOQNSCW-NSHDSACASA-N 1 0 326.784 2.854 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001321729801 1329405447 /nfs/dbraw/zinc/40/54/47/1329405447.db2.gz CPMTYKKBCYWLRL-GOEBONIOSA-N 1 0 334.420 2.609 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001317969965 1328461554 /nfs/dbraw/zinc/46/15/54/1328461554.db2.gz KMQXSOLIBGJFPA-HZSPNIEDSA-N 1 0 348.447 2.733 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC001322018477 1329422918 /nfs/dbraw/zinc/42/29/18/1329422918.db2.gz QLJNGPVZXZBFSN-UHFFFAOYSA-N 1 0 335.404 2.550 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001322470994 1329460860 /nfs/dbraw/zinc/46/08/60/1329460860.db2.gz YEFKMUAQVXCFRN-CQSZACIVSA-N 1 0 326.400 2.579 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001322680328 1329479019 /nfs/dbraw/zinc/47/90/19/1329479019.db2.gz HQDOMILUGVDADL-HOCLYGCPSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001322711168 1329481759 /nfs/dbraw/zinc/48/17/59/1329481759.db2.gz MNVMECQEQMRPAN-IRXDYDNUSA-N 1 0 348.447 2.776 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC001323107007 1329512374 /nfs/dbraw/zinc/51/23/74/1329512374.db2.gz GWDBZYGHCJNARM-KGLIPLIRSA-N 1 0 331.376 2.528 20 5 EFBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001323291498 1329532014 /nfs/dbraw/zinc/53/20/14/1329532014.db2.gz DPFWZYNAXOLBRC-XNRPHZJLSA-N 1 0 340.445 2.550 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC001323422318 1329542405 /nfs/dbraw/zinc/54/24/05/1329542405.db2.gz QJEJQDJSKVOAMQ-UHFFFAOYSA-N 1 0 345.403 2.554 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001323705023 1329563000 /nfs/dbraw/zinc/56/30/00/1329563000.db2.gz KKJPAAZNVCQWBW-CHWSQXEVSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001323785574 1329570452 /nfs/dbraw/zinc/57/04/52/1329570452.db2.gz UXJCYWPTQLKRSB-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001324409035 1329624752 /nfs/dbraw/zinc/62/47/52/1329624752.db2.gz IVTGYNSLQIWXIG-VCHSTOLQSA-N 1 0 341.415 2.600 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001324567132 1329641026 /nfs/dbraw/zinc/64/10/26/1329641026.db2.gz UTECKEBNCRNLBU-TZMCWYRMSA-N 1 0 330.388 2.679 20 5 EFBDRO CC1CC[NH+](CCc2nnc(-c3cc(F)cc([N+](=O)[O-])c3N)o2)CC1 ZINC001326267967 1329743057 /nfs/dbraw/zinc/74/30/57/1329743057.db2.gz YWNYTMQNCIAXOW-UHFFFAOYSA-N 1 0 349.366 2.641 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001326666269 1330341657 /nfs/dbraw/zinc/34/16/57/1330341657.db2.gz VHLYIPFGRUSDAA-IINYFYTJSA-N 1 0 338.795 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1-c1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001326971751 1330392027 /nfs/dbraw/zinc/39/20/27/1330392027.db2.gz ADLZSXZZCNQHFP-UHFFFAOYSA-N 1 0 346.387 2.928 20 5 EFBDRO [NH3+][C@H](CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001327107772 1330415758 /nfs/dbraw/zinc/41/57/58/1330415758.db2.gz UNBMQINJAIJHRR-QGZVFWFLSA-N 1 0 325.368 2.917 20 5 EFBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001327132064 1330424905 /nfs/dbraw/zinc/42/49/05/1330424905.db2.gz ZLOGCSMGLFECIU-QGZVFWFLSA-N 1 0 333.432 2.860 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001327322102 1330459151 /nfs/dbraw/zinc/45/91/51/1330459151.db2.gz ZADOQGIXYIBXEN-JKSUJKDBSA-N 1 0 331.416 2.641 20 5 EFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2C1 ZINC001327410491 1330474899 /nfs/dbraw/zinc/47/48/99/1330474899.db2.gz KSIHFJABQDPSDF-UHFFFAOYSA-N 1 0 329.360 2.542 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC001328490727 1330597044 /nfs/dbraw/zinc/59/70/44/1330597044.db2.gz CFCNOBIHXQFJIX-CYBMUJFWSA-N 1 0 346.431 2.631 20 5 EFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328521626 1330599584 /nfs/dbraw/zinc/59/95/84/1330599584.db2.gz DJYMEDHMUNMZOS-DAXSKMNVSA-N 1 0 329.400 2.600 20 5 EFBDRO COc1ccc(NC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001328692198 1330616605 /nfs/dbraw/zinc/61/66/05/1330616605.db2.gz HCBHQGBTXWEJAU-UHFFFAOYSA-N 1 0 348.403 2.601 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC001328882624 1330643276 /nfs/dbraw/zinc/64/32/76/1330643276.db2.gz AYAFGSYUPKUNJN-OALUTQOASA-N 1 0 342.395 2.612 20 5 EFBDRO CC(C)(NC(=O)c1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC001329514657 1330714056 /nfs/dbraw/zinc/71/40/56/1330714056.db2.gz ZFXPPTRDQZPTSO-UHFFFAOYSA-N 1 0 339.395 2.906 20 5 EFBDRO COCC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331555601 1330852598 /nfs/dbraw/zinc/85/25/98/1330852598.db2.gz BTGFDYGANLCIBJ-ZDUSSCGKSA-N 1 0 330.388 2.666 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC001331749736 1330871749 /nfs/dbraw/zinc/87/17/49/1330871749.db2.gz RFIHIOQHKDIGBQ-UHFFFAOYSA-N 1 0 336.367 2.730 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001331891939 1330885847 /nfs/dbraw/zinc/88/58/47/1330885847.db2.gz JYOCVRYIDRTBGV-UHFFFAOYSA-N 1 0 337.395 2.609 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001331955376 1330896319 /nfs/dbraw/zinc/89/63/19/1330896319.db2.gz WNMSESUUGJAODO-UHFFFAOYSA-N 1 0 325.384 2.537 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001333182827 1331089433 /nfs/dbraw/zinc/08/94/33/1331089433.db2.gz CAMYEKSESMGVAC-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001333346320 1331122038 /nfs/dbraw/zinc/12/20/38/1331122038.db2.gz RXACSJCXPBBVSC-CVEARBPZSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501844 1331155869 /nfs/dbraw/zinc/15/58/69/1331155869.db2.gz FGIAIIGNYXSMBS-YPMHNXCESA-N 1 0 336.367 2.824 20 5 EFBDRO Cn1c2ccccc2c(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC001333658215 1331189100 /nfs/dbraw/zinc/18/91/00/1331189100.db2.gz OCLFSPYRNCUPQS-UKRRQHHQSA-N 1 0 344.415 2.731 20 5 EFBDRO Cn1c2ccccc2c(N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1=O ZINC001333658213 1331189256 /nfs/dbraw/zinc/18/92/56/1331189256.db2.gz OCLFSPYRNCUPQS-DZGCQCFKSA-N 1 0 344.415 2.731 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001333734617 1331204113 /nfs/dbraw/zinc/20/41/13/1331204113.db2.gz RIAKOFRAIJUBSR-HYXAFXHYSA-N 1 0 345.443 2.841 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001333808590 1331218171 /nfs/dbraw/zinc/21/81/71/1331218171.db2.gz NFTPWKCENQNAIS-CYBMUJFWSA-N 1 0 342.823 2.763 20 5 EFBDRO CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001334239302 1331269801 /nfs/dbraw/zinc/26/98/01/1331269801.db2.gz JEWZNRHKLMCBML-HZPDHXFCSA-N 1 0 331.416 2.641 20 5 EFBDRO COCn1ncc(C)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001334857944 1331318394 /nfs/dbraw/zinc/31/83/94/1331318394.db2.gz CSGUBPHCLHTGQZ-UHFFFAOYSA-N 1 0 338.795 2.689 20 5 EFBDRO C[C@H](CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001335308279 1331338648 /nfs/dbraw/zinc/33/86/48/1331338648.db2.gz LGHYRZFKYORJCI-LLVKDONJSA-N 1 0 346.353 2.661 20 5 EFBDRO O=C(CC[NH2+]CC1(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001335460570 1331351587 /nfs/dbraw/zinc/35/15/87/1331351587.db2.gz OUFMFTRDDYRJOM-UHFFFAOYSA-N 1 0 340.383 2.640 20 5 EFBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001335467412 1331353244 /nfs/dbraw/zinc/35/32/44/1331353244.db2.gz OLNRTYMVFBUAGV-BXUZGUMPSA-N 1 0 343.387 2.584 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001335686468 1331390875 /nfs/dbraw/zinc/39/08/75/1331390875.db2.gz CHRXZHXAJQDGSY-HIFRSBDPSA-N 1 0 334.420 2.796 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001335766730 1331400045 /nfs/dbraw/zinc/40/00/45/1331400045.db2.gz XYMOEWZHHWHTPA-ZIAGYGMSSA-N 1 0 335.429 2.673 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2ccsc2)c1 ZINC001335953251 1331420002 /nfs/dbraw/zinc/42/00/02/1331420002.db2.gz BQUQDNPEKCMDSF-OAHLLOKOSA-N 1 0 336.413 2.618 20 5 EFBDRO C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001336725205 1331496893 /nfs/dbraw/zinc/49/68/93/1331496893.db2.gz CSLKFABRYHJAKR-HZMBPMFUSA-N 1 0 346.353 2.660 20 5 EFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC001336762513 1331500493 /nfs/dbraw/zinc/50/04/93/1331500493.db2.gz FVYLPQDOOHZJEP-PXAZEXFGSA-N 1 0 346.383 2.996 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001337341438 1331564037 /nfs/dbraw/zinc/56/40/37/1331564037.db2.gz PMCYRPFCIIZLJU-OAHLLOKOSA-N 1 0 343.358 2.829 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001337477905 1331579343 /nfs/dbraw/zinc/57/93/43/1331579343.db2.gz AFMSJMHSRMIWOA-CYBMUJFWSA-N 1 0 337.445 2.921 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001337678053 1331591775 /nfs/dbraw/zinc/59/17/75/1331591775.db2.gz HBVHGLVKVKZBOQ-UHFFFAOYSA-N 1 0 336.367 2.826 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC(n2ccnc2)CC1 ZINC001337678633 1331591856 /nfs/dbraw/zinc/59/18/56/1331591856.db2.gz JVASGZZTSQNZRU-UHFFFAOYSA-N 1 0 333.323 2.799 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337811331 1331601379 /nfs/dbraw/zinc/60/13/79/1331601379.db2.gz YXOJTMWYGFBNSZ-GJZGRUSLSA-N 1 0 346.387 2.590 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001338020120 1331636577 /nfs/dbraw/zinc/63/65/77/1331636577.db2.gz BGGBNFFWWOODGS-CQSZACIVSA-N 1 0 334.420 2.629 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001338292459 1331686157 /nfs/dbraw/zinc/68/61/57/1331686157.db2.gz BCAMABQASLBXNS-SNVBAGLBSA-N 1 0 345.321 2.828 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCn2cncn2)o1 ZINC001338752177 1331733249 /nfs/dbraw/zinc/73/32/49/1331733249.db2.gz TYGDSTMOMPAHBG-UHFFFAOYSA-N 1 0 347.762 2.890 20 5 EFBDRO Cc1cnc(COC(=O)c2ccc3c[nH+]cn3c2C)c(C)c1[N+](=O)[O-] ZINC001338880330 1331752520 /nfs/dbraw/zinc/75/25/20/1331752520.db2.gz KFGBGJPYQHDQTI-UHFFFAOYSA-N 1 0 340.339 2.920 20 5 EFBDRO C[C@@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066822 1331782042 /nfs/dbraw/zinc/78/20/42/1331782042.db2.gz YVDWGPOCJICRJF-KGLIPLIRSA-N 1 0 346.431 2.721 20 5 EFBDRO C/C=C(/CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065361 1331782139 /nfs/dbraw/zinc/78/21/39/1331782139.db2.gz HXXJFDRQNATFJU-PQMHYQBVSA-N 1 0 332.404 2.641 20 5 EFBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC001341456301 1332260603 /nfs/dbraw/zinc/26/06/03/1332260603.db2.gz JXPVOVUIHXYSII-HNNXBMFYSA-N 1 0 335.379 2.858 20 5 EFBDRO [NH3+]CC1([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC001341456361 1332260695 /nfs/dbraw/zinc/26/06/95/1332260695.db2.gz LFEDCQUAZTVGGT-OAHLLOKOSA-N 1 0 335.379 2.858 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001342176030 1332313787 /nfs/dbraw/zinc/31/37/87/1332313787.db2.gz ZKAKSYDBAYTMIS-UHFFFAOYSA-N 1 0 335.429 2.532 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343534972 1332354512 /nfs/dbraw/zinc/35/45/12/1332354512.db2.gz YEZXVIYBBZGPNT-SIXLDLHFSA-N 1 0 330.384 2.868 20 5 EFBDRO Cc1c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001343544538 1332355523 /nfs/dbraw/zinc/35/55/23/1332355523.db2.gz PWVISOTWUKRDJR-HOCLYGCPSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001343544539 1332355661 /nfs/dbraw/zinc/35/56/61/1332355661.db2.gz PWVISOTWUKRDJR-ZBFHGGJFSA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC001344447694 1332453703 /nfs/dbraw/zinc/45/37/03/1332453703.db2.gz GSNBLMBPBAKEHD-PMPSAXMXSA-N 1 0 331.416 2.830 20 5 EFBDRO C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001344789614 1332483092 /nfs/dbraw/zinc/48/30/92/1332483092.db2.gz MQYGEZKQWWWATH-LBPRGKRZSA-N 1 0 325.368 2.732 20 5 EFBDRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001345085517 1332507636 /nfs/dbraw/zinc/50/76/36/1332507636.db2.gz QSELNRXAVPBUNQ-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO C[NH2+][C@H](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001345112402 1332510338 /nfs/dbraw/zinc/51/03/38/1332510338.db2.gz TWUQNVGIZDMDMA-MRVPVSSYSA-N 1 0 334.298 2.733 20 5 EFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1 ZINC001345156737 1332513754 /nfs/dbraw/zinc/51/37/54/1332513754.db2.gz YDPJQIPEKAMTSC-JTQLQIEISA-N 1 0 349.774 2.734 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC001345952717 1332587444 /nfs/dbraw/zinc/58/74/44/1332587444.db2.gz FMJCGXSKSXGHNG-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001346094319 1332598260 /nfs/dbraw/zinc/59/82/60/1332598260.db2.gz IFNULRMEDFLYJL-HOCLYGCPSA-N 1 0 326.400 2.653 20 5 EFBDRO C[C@](O)(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001346250597 1332618180 /nfs/dbraw/zinc/61/81/80/1332618180.db2.gz GBSSJFNMJJSDRE-ROUUACIJSA-N 1 0 330.384 2.516 20 5 EFBDRO COc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001346274697 1332621100 /nfs/dbraw/zinc/62/11/00/1332621100.db2.gz QCRHTJQCZFLWTN-UHFFFAOYSA-N 1 0 348.403 2.599 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001346507081 1332650110 /nfs/dbraw/zinc/65/01/10/1332650110.db2.gz ZNHHCEOHWWYWOJ-KRWDZBQOSA-N 1 0 349.456 2.822 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001346854602 1332696997 /nfs/dbraw/zinc/69/69/97/1332696997.db2.gz DOJTXKIGEVHGSO-KBPBESRZSA-N 1 0 349.431 2.903 20 5 EFBDRO Cc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001347243048 1332727857 /nfs/dbraw/zinc/72/78/57/1332727857.db2.gz IPRXBXQCSJLNKH-UHFFFAOYSA-N 1 0 333.436 2.784 20 5 EFBDRO COc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001347522611 1332752688 /nfs/dbraw/zinc/75/26/88/1332752688.db2.gz SCZNMBFQPNRTAV-UHFFFAOYSA-N 1 0 338.408 2.845 20 5 EFBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCc4c3cccc4[N+](=O)[O-])C[N@@H+]2C1 ZINC001347733837 1332769460 /nfs/dbraw/zinc/76/94/60/1332769460.db2.gz JIIPKBCWPZRWOK-HZSPNIEDSA-N 1 0 329.400 2.604 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC001347869421 1332779518 /nfs/dbraw/zinc/77/95/18/1332779518.db2.gz UZQCZYZHIFUOJQ-LLVKDONJSA-N 1 0 325.796 2.771 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)c2cccs2)CC1 ZINC001349647320 1332980013 /nfs/dbraw/zinc/98/00/13/1332980013.db2.gz ALHKDZFRSCNRNW-UHFFFAOYSA-N 1 0 348.428 2.756 20 5 EFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001350123621 1333038082 /nfs/dbraw/zinc/03/80/82/1333038082.db2.gz BUXAJXJWBRDWDW-ZDUSSCGKSA-N 1 0 336.367 2.826 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC001350465240 1333085637 /nfs/dbraw/zinc/08/56/37/1333085637.db2.gz IHFPQPWVGFQIGW-NSHDSACASA-N 1 0 345.790 2.642 20 5 EFBDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001351387510 1333222981 /nfs/dbraw/zinc/22/29/81/1333222981.db2.gz IMXUFBGJIBCSRH-KBRIMQKVSA-N 1 0 331.416 2.546 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847253610 1333448104 /nfs/dbraw/zinc/44/81/04/1333448104.db2.gz JLBHWGGGLKMGAL-KBPBESRZSA-N 1 0 337.807 2.995 20 5 EFBDRO CN1CC[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001353227946 1334032069 /nfs/dbraw/zinc/03/20/69/1334032069.db2.gz KVMAUABDQWMMQG-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001353229991 1334033261 /nfs/dbraw/zinc/03/32/61/1334033261.db2.gz ZUVCUQACDMHUOL-AWEZNQCLSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001354265670 1334201847 /nfs/dbraw/zinc/20/18/47/1334201847.db2.gz ACBNIMNEEZIBFW-QMTHXVAHSA-N 1 0 328.363 2.579 20 5 EFBDRO Cc1[nH]ccc1C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002569553 1334412981 /nfs/dbraw/zinc/41/29/81/1334412981.db2.gz YRYSOBXOJRACGE-UHFFFAOYSA-N 1 0 342.399 2.626 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001002587268 1334442601 /nfs/dbraw/zinc/44/26/01/1334442601.db2.gz IOUVIHGVTKFZBC-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000848300910 1334598583 /nfs/dbraw/zinc/59/85/83/1334598583.db2.gz DERQDPJOWVWPMH-UHFFFAOYSA-N 1 0 348.447 2.607 20 5 EFBDRO C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC001355081526 1334695350 /nfs/dbraw/zinc/69/53/50/1334695350.db2.gz QOWPPDGOQMQZJZ-CYBMUJFWSA-N 1 0 346.431 2.721 20 5 EFBDRO COc1c(O)ccc(CNCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001355264289 1334726875 /nfs/dbraw/zinc/72/68/75/1334726875.db2.gz IGGYTRNGOGTXAV-UHFFFAOYSA-N 1 0 339.436 2.908 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000848477126 1334736296 /nfs/dbraw/zinc/73/62/96/1334736296.db2.gz PCPLCPFMDBODRY-MRXNPFEDSA-N 1 0 341.415 2.586 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480129 1334737429 /nfs/dbraw/zinc/73/74/29/1334737429.db2.gz GNXKCBLIWXGUSN-INIZCTEOSA-N 1 0 343.431 2.832 20 5 EFBDRO CCOC(=O)CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000848502659 1334761662 /nfs/dbraw/zinc/76/16/62/1334761662.db2.gz VSYXWESQKFAVGY-UHFFFAOYSA-N 1 0 334.376 2.566 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848520166 1334770672 /nfs/dbraw/zinc/77/06/72/1334770672.db2.gz WQRGIVNMULGJIO-WMZOPIPTSA-N 1 0 328.368 2.914 20 5 EFBDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848527780 1334776087 /nfs/dbraw/zinc/77/60/87/1334776087.db2.gz FBNQTDKEXYUFAS-SJLPKXTDSA-N 1 0 328.368 2.914 20 5 EFBDRO Cc1cc(Cc2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623633 1334816295 /nfs/dbraw/zinc/81/62/95/1334816295.db2.gz KRCXZCSPCSEQSC-GUYCJALGSA-N 1 0 328.372 2.734 20 5 EFBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848656300 1334827367 /nfs/dbraw/zinc/82/73/67/1334827367.db2.gz KEBAEUFGDROABO-GJZGRUSLSA-N 1 0 334.445 2.898 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000848792984 1334901650 /nfs/dbraw/zinc/90/16/50/1334901650.db2.gz FKDQETDRLLBWRA-GFCCVEGCSA-N 1 0 341.358 2.564 20 5 EFBDRO CC[C@@H](C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849002972 1335035703 /nfs/dbraw/zinc/03/57/03/1335035703.db2.gz OMMZHMOGWQOSBA-SECBINFHSA-N 1 0 347.341 2.938 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC001356532322 1335049336 /nfs/dbraw/zinc/04/93/36/1335049336.db2.gz JHVDEXZRYAYJAU-GOSISDBHSA-N 1 0 329.400 2.590 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC001356570773 1335054655 /nfs/dbraw/zinc/05/46/55/1335054655.db2.gz VIIQQHZCVUDOPX-HNNXBMFYSA-N 1 0 337.326 2.608 20 5 EFBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356568485 1335054823 /nfs/dbraw/zinc/05/48/23/1335054823.db2.gz DPTWWIWEDRTECQ-JKSUJKDBSA-N 1 0 332.404 2.529 20 5 EFBDRO CCCNC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849056037 1335061152 /nfs/dbraw/zinc/06/11/52/1335061152.db2.gz QFSZMEBKIXEMNB-UHFFFAOYSA-N 1 0 333.314 2.549 20 5 EFBDRO C[N@H+](CCOC(=O)Cc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC001473415770 1397301156 /nfs/dbraw/zinc/30/11/56/1397301156.db2.gz BNXYGUPHJWZDMB-UHFFFAOYSA-N 1 0 342.395 2.855 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162386255 1418727415 /nfs/dbraw/zinc/72/74/15/1418727415.db2.gz CBXSCVLOJJWMPH-UWVGGRQHSA-N 1 0 328.210 2.526 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001020445704 713016010 /nfs/dbraw/zinc/01/60/10/713016010.db2.gz RKJNKFRCXDEPQE-SHTZXODSSA-N 1 0 331.416 2.912 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804684227 713413003 /nfs/dbraw/zinc/41/30/03/713413003.db2.gz WVBVZQYIFHQMGG-UHFFFAOYSA-N 1 0 334.376 2.815 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000804779172 713467192 /nfs/dbraw/zinc/46/71/92/713467192.db2.gz UFKWKLZWXMIXLC-NSHDSACASA-N 1 0 325.796 2.852 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001021778153 714464508 /nfs/dbraw/zinc/46/45/08/714464508.db2.gz BXGKQKPNSMOEDU-OKILXGFUSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001021779059 714465560 /nfs/dbraw/zinc/46/55/60/714465560.db2.gz RZISKXBVRKMVRC-IYBDPMFKSA-N 1 0 343.358 2.785 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC001021779097 714465752 /nfs/dbraw/zinc/46/57/52/714465752.db2.gz UMFFLWFVFHCADX-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021789441 714478028 /nfs/dbraw/zinc/47/80/28/714478028.db2.gz LUZKRWNQYIBIRM-OKILXGFUSA-N 1 0 337.445 2.973 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cccs1 ZINC001021791209 714479673 /nfs/dbraw/zinc/47/96/73/714479673.db2.gz AQDDVCIOHZFJNU-PHIMTYICSA-N 1 0 337.426 2.768 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)oc1C ZINC001021967738 714624129 /nfs/dbraw/zinc/62/41/29/714624129.db2.gz DQGBJXQJWDESNB-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CCc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022029060 714664732 /nfs/dbraw/zinc/66/47/32/714664732.db2.gz PBFXYBQOEZCAJJ-OKILXGFUSA-N 1 0 343.383 2.801 20 5 EFBDRO Cc1coc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022037620 714682319 /nfs/dbraw/zinc/68/23/19/714682319.db2.gz VBXKPJKZTXITIY-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022039493 714683655 /nfs/dbraw/zinc/68/36/55/714683655.db2.gz CPQXYZFNXCADGV-OKILXGFUSA-N 1 0 342.399 2.536 20 5 EFBDRO CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000157909078 714745068 /nfs/dbraw/zinc/74/50/68/714745068.db2.gz FHJAOSKNCGELIR-AAEUAGOBSA-N 1 0 342.237 2.917 20 5 EFBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891499602 714787347 /nfs/dbraw/zinc/78/73/47/714787347.db2.gz WCEAGRMBCASDPB-AWEZNQCLSA-N 1 0 345.403 2.586 20 5 EFBDRO COc1c(O)ccc(CN(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000891559843 714824643 /nfs/dbraw/zinc/82/46/43/714824643.db2.gz UBHCPHNUAUCGQD-UHFFFAOYSA-N 1 0 337.420 2.614 20 5 EFBDRO Cn1c2ccccc2c(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1=O ZINC000891594465 714841682 /nfs/dbraw/zinc/84/16/82/714841682.db2.gz ZEKJECXXFKPPFT-UHFFFAOYSA-N 1 0 344.415 2.735 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NCc1ccnc(N2CCCC2)c1 ZINC000891676399 714923707 /nfs/dbraw/zinc/92/37/07/714923707.db2.gz MLGMUDSHWZAZJO-UHFFFAOYSA-N 1 0 329.360 2.606 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891903985 715105410 /nfs/dbraw/zinc/10/54/10/715105410.db2.gz ARMSKPRUVWISLE-UHFFFAOYSA-N 1 0 336.436 2.947 20 5 EFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]2CO)cc1OC ZINC000934015896 715178949 /nfs/dbraw/zinc/17/89/49/715178949.db2.gz IWMYNORELPLZIM-TZMCWYRMSA-N 1 0 338.404 2.595 20 5 EFBDRO COC(=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934033465 715181814 /nfs/dbraw/zinc/18/18/14/715181814.db2.gz IVEWNWFBMHNBRU-ZDUSSCGKSA-N 1 0 330.331 2.940 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CCCC1 ZINC001022509404 715192720 /nfs/dbraw/zinc/19/27/20/715192720.db2.gz OQVJSPYSHKLQNE-BETUJISGSA-N 1 0 337.445 2.973 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000176224344 715195178 /nfs/dbraw/zinc/19/51/78/715195178.db2.gz WJEBSVFUZAZQMR-UHFFFAOYSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022550706 715206381 /nfs/dbraw/zinc/20/63/81/715206381.db2.gz GDAVICUKRUYAPS-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC2(CCC2)C1 ZINC001022568678 715218516 /nfs/dbraw/zinc/21/85/16/715218516.db2.gz VXTKQNQXSHIBON-IYBDPMFKSA-N 1 0 343.427 2.912 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001022569432 715219486 /nfs/dbraw/zinc/21/94/86/715219486.db2.gz FFHBRDWFBBJZQZ-OKILXGFUSA-N 1 0 329.356 2.547 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892033012 715226726 /nfs/dbraw/zinc/22/67/26/715226726.db2.gz RMOROVBZAVZTEI-LBPRGKRZSA-N 1 0 332.404 2.589 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000892077937 715243848 /nfs/dbraw/zinc/24/38/48/715243848.db2.gz DNZKOTXLKGPNQJ-HNNXBMFYSA-N 1 0 329.404 2.652 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892103105 715254298 /nfs/dbraw/zinc/25/42/98/715254298.db2.gz HUICFAKIQLHODK-OCCSQVGLSA-N 1 0 337.420 2.614 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934232732 715271361 /nfs/dbraw/zinc/27/13/61/715271361.db2.gz FZFIFJVEWOMIJK-NSHDSACASA-N 1 0 348.790 2.803 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934236881 715274036 /nfs/dbraw/zinc/27/40/36/715274036.db2.gz SVUJEZGPACZHML-OLZOCXBDSA-N 1 0 328.372 2.538 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236164 715274411 /nfs/dbraw/zinc/27/44/11/715274411.db2.gz MFWBBHVMZVXBLM-CHWSQXEVSA-N 1 0 328.372 2.538 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236167 715274434 /nfs/dbraw/zinc/27/44/34/715274434.db2.gz MFWBBHVMZVXBLM-STQMWFEESA-N 1 0 328.372 2.538 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CC=CC1 ZINC001022653324 715276034 /nfs/dbraw/zinc/27/60/34/715276034.db2.gz SCHCVGMREXNRTG-BETUJISGSA-N 1 0 335.429 2.749 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1occc1Cl ZINC001022660292 715278888 /nfs/dbraw/zinc/27/88/88/715278888.db2.gz NDQPXSDWQFOOAH-TXEJJXNPSA-N 1 0 349.774 2.892 20 5 EFBDRO O=C(C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255507995 715485117 /nfs/dbraw/zinc/48/51/17/715485117.db2.gz QNYQIPJCRGTQJP-ALCCZGGFSA-N 1 0 343.427 2.942 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1OC ZINC000893403524 715486768 /nfs/dbraw/zinc/48/67/68/715486768.db2.gz SXVLXZXXJPTENA-NWANDNLSSA-N 1 0 328.796 2.573 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000893454365 715568712 /nfs/dbraw/zinc/56/87/12/715568712.db2.gz UIIPTFGWWIAGSG-JSGCOSHPSA-N 1 0 334.420 2.605 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000893454366 715568973 /nfs/dbraw/zinc/56/89/73/715568973.db2.gz UIIPTFGWWIAGSG-OCCSQVGLSA-N 1 0 334.420 2.605 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000893453537 715570925 /nfs/dbraw/zinc/57/09/25/715570925.db2.gz PPKDYJAZTZNNIR-HIFRSBDPSA-N 1 0 334.420 2.700 20 5 EFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001023014872 716084327 /nfs/dbraw/zinc/08/43/27/716084327.db2.gz BWLCXCOSBCPOCF-CALCHBBNSA-N 1 0 339.395 2.954 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892417614 717209318 /nfs/dbraw/zinc/20/93/18/717209318.db2.gz FRHASJKMILRKOG-UHFFFAOYSA-N 1 0 332.356 2.786 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897200663 724074672 /nfs/dbraw/zinc/07/46/72/724074672.db2.gz ZLRKQWFFGSHBRD-GFCCVEGCSA-N 1 0 334.294 2.509 20 5 EFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000310021279 717405458 /nfs/dbraw/zinc/40/54/58/717405458.db2.gz JTABWDCNILDYBM-UHFFFAOYSA-N 1 0 335.404 2.783 20 5 EFBDRO COc1ccccc1CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892437526 717457661 /nfs/dbraw/zinc/45/76/61/717457661.db2.gz OCXHCUGPGUOMAJ-UHFFFAOYSA-N 1 0 332.356 2.650 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000179547420 717776081 /nfs/dbraw/zinc/77/60/81/717776081.db2.gz SNOCCPXDVJNFKC-MRXNPFEDSA-N 1 0 343.431 2.771 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000310504060 717818152 /nfs/dbraw/zinc/81/81/52/717818152.db2.gz JYVRDPJKTBYLLB-ZDUSSCGKSA-N 1 0 337.420 2.888 20 5 EFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235483596 717887584 /nfs/dbraw/zinc/88/75/84/717887584.db2.gz URZZTUYIDCCPPT-SNVBAGLBSA-N 1 0 339.193 2.732 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000892570250 718293537 /nfs/dbraw/zinc/29/35/37/718293537.db2.gz IFMAWMRFCLTXHH-ZDUSSCGKSA-N 1 0 345.399 2.924 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000892581963 718306875 /nfs/dbraw/zinc/30/68/75/718306875.db2.gz YYDNYUUNJJOSES-SNVBAGLBSA-N 1 0 348.230 2.712 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCSC(F)(F)F)c1[N+](=O)[O-] ZINC000892599799 718326114 /nfs/dbraw/zinc/32/61/14/718326114.db2.gz ASPKHJCCVTZFIS-UHFFFAOYSA-N 1 0 326.296 2.652 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000892653610 718379238 /nfs/dbraw/zinc/37/92/38/718379238.db2.gz OGVQTCRWIABIEM-UHFFFAOYSA-N 1 0 340.383 2.956 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000892668110 718413535 /nfs/dbraw/zinc/41/35/35/718413535.db2.gz BZOYCQKPDQCOAB-BXUZGUMPSA-N 1 0 335.433 2.885 20 5 EFBDRO CCCC[NH+]1CCC(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892687360 718688597 /nfs/dbraw/zinc/68/85/97/718688597.db2.gz LZWUUZBNPULECL-UHFFFAOYSA-N 1 0 337.420 2.663 20 5 EFBDRO C/C=C(/C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981698412 718953913 /nfs/dbraw/zinc/95/39/13/718953913.db2.gz CPXQAJPQZAIKSD-CQPUUCJISA-N 1 0 343.427 2.985 20 5 EFBDRO C/C=C(/C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981698730 718954769 /nfs/dbraw/zinc/95/47/69/718954769.db2.gz JRGAZQKLSFNZSM-CQPUUCJISA-N 1 0 343.427 2.985 20 5 EFBDRO Cn1c2ccccc2c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892824460 719218732 /nfs/dbraw/zinc/21/87/32/719218732.db2.gz QZFYPCUNCJIYAY-STQMWFEESA-N 1 0 344.415 2.731 20 5 EFBDRO Cc1ccc(-c2ccc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)nn2)cc1[N+](=O)[O-] ZINC001164634117 719222443 /nfs/dbraw/zinc/22/24/43/719222443.db2.gz FTSNKOJEEPFOIO-KBPBESRZSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164643540 719233252 /nfs/dbraw/zinc/23/32/52/719233252.db2.gz ZEBMVSRSDNQFDK-CHWSQXEVSA-N 1 0 327.388 2.581 20 5 EFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000351507533 719242915 /nfs/dbraw/zinc/24/29/15/719242915.db2.gz BTZOGOHKKMPBJY-KGLIPLIRSA-N 1 0 341.415 2.889 20 5 EFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164637258 719248312 /nfs/dbraw/zinc/24/83/12/719248312.db2.gz VDMRFWOLLYVWNV-RYUDHWBXSA-N 1 0 345.378 2.720 20 5 EFBDRO COc1c(O)ccc(C[NH2+]Cc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000892926162 719279738 /nfs/dbraw/zinc/27/97/38/719279738.db2.gz IECQNXFDWKWDLH-UHFFFAOYSA-N 1 0 331.372 2.665 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892935068 719289930 /nfs/dbraw/zinc/28/99/30/719289930.db2.gz DFQXLWYSWHCBIU-CQSZACIVSA-N 1 0 335.452 2.809 20 5 EFBDRO O=C(CC1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025657797 719290600 /nfs/dbraw/zinc/29/06/00/719290600.db2.gz IBTQVHUHLOGDSQ-DZFIZOCASA-N 1 0 343.427 2.722 20 5 EFBDRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)C1 ZINC001025764724 719310638 /nfs/dbraw/zinc/31/06/38/719310638.db2.gz KRKCNVDPOGRJLP-QLPKVWCKSA-N 1 0 343.427 2.577 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)o1 ZINC001019990662 719427011 /nfs/dbraw/zinc/42/70/11/719427011.db2.gz XUMDXAWBPCOXID-HAQNSBGRSA-N 1 0 349.774 2.892 20 5 EFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893001970 719429186 /nfs/dbraw/zinc/42/91/86/719429186.db2.gz RCDITIHPVCCVSS-QWHCGFSZSA-N 1 0 346.836 2.694 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000893095902 719629142 /nfs/dbraw/zinc/62/91/42/719629142.db2.gz XLCPEJQZFZJIRW-UHFFFAOYSA-N 1 0 343.387 2.722 20 5 EFBDRO CCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000982178851 719631385 /nfs/dbraw/zinc/63/13/85/719631385.db2.gz VBRNDAUQGBJHJU-HDICACEKSA-N 1 0 331.416 2.675 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000893102426 719653103 /nfs/dbraw/zinc/65/31/03/719653103.db2.gz VBPZPVMRGWAPOW-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCc2nc(C)c(C)s2)c1[N+](=O)[O-] ZINC000893157688 719762997 /nfs/dbraw/zinc/76/29/97/719762997.db2.gz XKLIAKIRHRYGDY-UHFFFAOYSA-N 1 0 337.401 2.715 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c(C)c1 ZINC000893173347 719944088 /nfs/dbraw/zinc/94/40/88/719944088.db2.gz MPQDLSKKADRMTR-UHFFFAOYSA-N 1 0 332.356 2.916 20 5 EFBDRO Cc1ccnc(N)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000894055072 720253530 /nfs/dbraw/zinc/25/35/30/720253530.db2.gz OXMAYBCOWRTTII-UHFFFAOYSA-N 1 0 342.399 2.924 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1OC ZINC000894081734 720262746 /nfs/dbraw/zinc/26/27/46/720262746.db2.gz BCWMQYPCKBIVSX-BFHYXJOUSA-N 1 0 348.321 2.896 20 5 EFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000894079707 720272014 /nfs/dbraw/zinc/27/20/14/720272014.db2.gz QXHDTRHAVMUFPY-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)n1 ZINC000894079623 720272138 /nfs/dbraw/zinc/27/21/38/720272138.db2.gz PKSZGVJLHMIIND-UHFFFAOYSA-N 1 0 342.399 2.953 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000841103902 720353472 /nfs/dbraw/zinc/35/34/72/720353472.db2.gz SEJGLHAJVVIDGM-NXEZZACHSA-N 1 0 326.784 2.697 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000893284872 720443294 /nfs/dbraw/zinc/44/32/94/720443294.db2.gz KNZRWVHQZIOLCA-ZFWWWQNUSA-N 1 0 326.780 2.676 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000894120233 720652815 /nfs/dbraw/zinc/65/28/15/720652815.db2.gz OVELJLYZHLRIJW-AWEZNQCLSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CC2(OC)CCC(C)CC2)c1[N+](=O)[O-] ZINC000894158601 720971637 /nfs/dbraw/zinc/97/16/37/720971637.db2.gz HSBNIHNMYVGJKO-UHFFFAOYSA-N 1 0 338.404 2.994 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000982970969 721743088 /nfs/dbraw/zinc/74/30/88/721743088.db2.gz ZOCBLRZXRCQKBS-SAZUREKKSA-N 1 0 331.416 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000609849726 721855194 /nfs/dbraw/zinc/85/51/94/721855194.db2.gz JTZIEYQBCMJIGD-UHFFFAOYSA-N 1 0 327.388 2.603 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000917524586 728750975 /nfs/dbraw/zinc/75/09/75/728750975.db2.gz AXMPNURCFAVLLS-UHFFFAOYSA-N 1 0 331.420 2.801 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894275201 721882602 /nfs/dbraw/zinc/88/26/02/721882602.db2.gz QIDHKHDOCAUHTQ-CLLJXQQHSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC[C@H]([NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001165036647 721893936 /nfs/dbraw/zinc/89/39/36/721893936.db2.gz UTQLYZWKBAEOON-HNNXBMFYSA-N 1 0 341.415 2.891 20 5 EFBDRO C[NH+](C)CC1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001165042653 721943744 /nfs/dbraw/zinc/94/37/44/721943744.db2.gz PAXYFQQPHLAVKK-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO CSc1nc(Cl)nc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001165042101 721946291 /nfs/dbraw/zinc/94/62/91/721946291.db2.gz MBRHHZDLPGBOGO-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO COc1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165046300 721969592 /nfs/dbraw/zinc/96/95/92/721969592.db2.gz DBTYARAWKWHBPB-AWEZNQCLSA-N 1 0 334.420 2.843 20 5 EFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048350 721970274 /nfs/dbraw/zinc/97/02/74/721970274.db2.gz OIUNPABJRQAEES-CQSZACIVSA-N 1 0 349.435 2.547 20 5 EFBDRO CC[NH+](CC)C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165053819 722001342 /nfs/dbraw/zinc/00/13/42/722001342.db2.gz PIQMAVOGHOGIFV-UHFFFAOYSA-N 1 0 329.404 2.849 20 5 EFBDRO O=C(C=C1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983451787 722641729 /nfs/dbraw/zinc/64/17/29/722641729.db2.gz BHRKMIWWZHJHFO-KOMQPUFPSA-N 1 0 329.400 2.690 20 5 EFBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000261986845 722663912 /nfs/dbraw/zinc/66/39/12/722663912.db2.gz KLQGMWQQDJTKHB-AWEZNQCLSA-N 1 0 348.447 2.552 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000894395453 722695291 /nfs/dbraw/zinc/69/52/91/722695291.db2.gz FFNZVJXVZZASBM-OAHLLOKOSA-N 1 0 348.447 2.777 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108496648 722760627 /nfs/dbraw/zinc/76/06/27/722760627.db2.gz UDNHUKWCMDPTIS-LBPRGKRZSA-N 1 0 338.795 2.854 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894606319 722791136 /nfs/dbraw/zinc/79/11/36/722791136.db2.gz VADKOBLWOUHGSS-LLVKDONJSA-N 1 0 327.812 2.890 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@H]3CCCCO3)CC2)cc1 ZINC000894801671 722851224 /nfs/dbraw/zinc/85/12/24/722851224.db2.gz YAGMYFOZCRNTFR-SFHVURJKSA-N 1 0 349.431 2.696 20 5 EFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000894935813 723033119 /nfs/dbraw/zinc/03/31/19/723033119.db2.gz BXUFRVYZCJYCQE-UHFFFAOYSA-N 1 0 346.836 2.553 20 5 EFBDRO Cc1[nH+]cc2n1C[C@H](c1nc(Cc3ccccc3[N+](=O)[O-])no1)CC2 ZINC000895957641 723071556 /nfs/dbraw/zinc/07/15/56/723071556.db2.gz KDCNSDWYRUMKPM-CYBMUJFWSA-N 1 0 339.355 2.804 20 5 EFBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CC[NH2+]1 ZINC000895058128 723105486 /nfs/dbraw/zinc/10/54/86/723105486.db2.gz IEELIUBHYCLKRN-JTQLQIEISA-N 1 0 343.225 2.639 20 5 EFBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000727768367 723115139 /nfs/dbraw/zinc/11/51/39/723115139.db2.gz DACHVWUCDVWSND-KBPBESRZSA-N 1 0 348.447 2.583 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC000984123365 723467019 /nfs/dbraw/zinc/46/70/19/723467019.db2.gz JQTOIOZRLKKWDS-SHTZXODSSA-N 1 0 349.406 2.862 20 5 EFBDRO Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000985114438 723851629 /nfs/dbraw/zinc/85/16/29/723851629.db2.gz FGFQFXZFEDYPHM-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896909560 723855833 /nfs/dbraw/zinc/85/58/33/723855833.db2.gz VRDZEGUDPSZMHR-UHFFFAOYSA-N 1 0 346.305 2.856 20 5 EFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895246744 723940901 /nfs/dbraw/zinc/94/09/01/723940901.db2.gz DFEBBZGUMGTMBD-IINYFYTJSA-N 1 0 328.363 2.579 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)CC2CC2)CC1 ZINC000985205739 723985744 /nfs/dbraw/zinc/98/57/44/723985744.db2.gz FAIFZBLHMUNKOE-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895330428 724043079 /nfs/dbraw/zinc/04/30/79/724043079.db2.gz LVHZGMIHJSGBRC-WMLDXEAASA-N 1 0 348.424 2.641 20 5 EFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270317 724047992 /nfs/dbraw/zinc/04/79/92/724047992.db2.gz PLDGQMQBLOQXQD-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO Cn1ccnc1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444794989 728869878 /nfs/dbraw/zinc/86/98/78/728869878.db2.gz UFEGKODOGAEWRB-LBPRGKRZSA-N 1 0 340.387 2.584 20 5 EFBDRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC001059373365 724074837 /nfs/dbraw/zinc/07/48/37/724074837.db2.gz OACMDGYQBHMBOU-HDJSIYSDSA-N 1 0 346.431 2.528 20 5 EFBDRO COCCN(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237261089 724081034 /nfs/dbraw/zinc/08/10/34/724081034.db2.gz HOGYHPWJWSWCOT-UHFFFAOYSA-N 1 0 349.456 2.991 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897258015 724137893 /nfs/dbraw/zinc/13/78/93/724137893.db2.gz OVQVLPAHNWEBMR-HNNXBMFYSA-N 1 0 334.416 2.718 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897266982 724155110 /nfs/dbraw/zinc/15/51/10/724155110.db2.gz WUKKVJITKNGFPB-MRXNPFEDSA-N 1 0 331.416 2.959 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985367422 724175412 /nfs/dbraw/zinc/17/54/12/724175412.db2.gz GSZNMXRNXGDTGE-CPSFFCFKSA-N 1 0 331.416 2.984 20 5 EFBDRO C/C=C(\C)C(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985369464 724180542 /nfs/dbraw/zinc/18/05/42/724180542.db2.gz SKNKIUICNGTGLS-LNKIKWGQSA-N 1 0 331.416 2.984 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985369458 724180815 /nfs/dbraw/zinc/18/08/15/724180815.db2.gz SKNKIUICNGTGLS-CPSFFCFKSA-N 1 0 331.416 2.984 20 5 EFBDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706923 724266447 /nfs/dbraw/zinc/26/64/47/724266447.db2.gz AFCHPCJYCYLGOL-FWWRYZNZSA-N 1 0 334.294 2.528 20 5 EFBDRO CCO/C=C\[C@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000895713854 724273906 /nfs/dbraw/zinc/27/39/06/724273906.db2.gz OZJCLZSDDZHPDR-GDAGCXPBSA-N 1 0 348.321 2.571 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895747438 724293437 /nfs/dbraw/zinc/29/34/37/724293437.db2.gz HYOCWMNJKCLWLM-NEPJUHHUSA-N 1 0 349.214 2.921 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC000984554865 724364743 /nfs/dbraw/zinc/36/47/43/724364743.db2.gz KPTUTCVGIYYRMT-SHTZXODSSA-N 1 0 331.416 2.769 20 5 EFBDRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000984555230 724365121 /nfs/dbraw/zinc/36/51/21/724365121.db2.gz NDWUVMWADSMUFF-SHTZXODSSA-N 1 0 331.416 2.769 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000929458829 725464298 /nfs/dbraw/zinc/46/42/98/725464298.db2.gz KSEGHWWGNSYDCK-UHFFFAOYSA-N 1 0 325.434 2.634 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913684894 725819296 /nfs/dbraw/zinc/81/92/96/725819296.db2.gz QLCKKDIRUMELSY-GJZGRUSLSA-N 1 0 343.408 2.755 20 5 EFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000232769323 726037310 /nfs/dbraw/zinc/03/73/10/726037310.db2.gz FOXKPPURKWKHSZ-WDEREUQCSA-N 1 0 329.194 2.606 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000914149911 726082884 /nfs/dbraw/zinc/08/28/84/726082884.db2.gz JSUSRRJPZWOACW-INWMFGNUSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000914243576 726194991 /nfs/dbraw/zinc/19/49/91/726194991.db2.gz OKWCIZHYOWAWQE-ZIAGYGMSSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1nccn1CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000163458524 726402399 /nfs/dbraw/zinc/40/23/99/726402399.db2.gz JRSAVQSLTOHYHQ-UHFFFAOYSA-N 1 0 343.431 2.702 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915307551 726938863 /nfs/dbraw/zinc/93/88/63/726938863.db2.gz JDBOMKIJBFQHQO-UHFFFAOYSA-N 1 0 326.784 2.856 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000915449399 726988222 /nfs/dbraw/zinc/98/82/22/726988222.db2.gz YKDHZVFDZZACLQ-CQSZACIVSA-N 1 0 336.388 2.781 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccco4)C3)n2)cc1 ZINC000732182990 727001654 /nfs/dbraw/zinc/00/16/54/727001654.db2.gz KRCNGGUTMWAAIS-AWEZNQCLSA-N 1 0 339.355 2.893 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908262172 727144826 /nfs/dbraw/zinc/14/48/26/727144826.db2.gz QRQIBIZYIXLPCK-VIFPVBQESA-N 1 0 331.775 2.846 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732578125 727163772 /nfs/dbraw/zinc/16/37/72/727163772.db2.gz HHVQKXFUYCUQIU-LLVKDONJSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCO1 ZINC000130434909 727260194 /nfs/dbraw/zinc/26/01/94/727260194.db2.gz SFAWGXBEEHJWST-HIFRSBDPSA-N 1 0 339.367 2.610 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@H](C)C1 ZINC000910269065 727425383 /nfs/dbraw/zinc/42/53/83/727425383.db2.gz DEQJVSYQDMHPFN-CQSZACIVSA-N 1 0 349.431 2.938 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473573 727543662 /nfs/dbraw/zinc/54/36/62/727543662.db2.gz SHXOVYRMQNCMCV-LLVKDONJSA-N 1 0 341.358 2.611 20 5 EFBDRO CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000911512404 727553498 /nfs/dbraw/zinc/55/34/98/727553498.db2.gz QLAMBMMOMNFNJI-LLVKDONJSA-N 1 0 343.786 2.944 20 5 EFBDRO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000911769699 727596101 /nfs/dbraw/zinc/59/61/01/727596101.db2.gz XXIAAXGAGJFUBB-GVDBMIGSSA-N 1 0 325.368 2.515 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911817462 727606924 /nfs/dbraw/zinc/60/69/24/727606924.db2.gz DHEHPOVFTAKRQO-CQSZACIVSA-N 1 0 337.445 2.954 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000912151616 727664828 /nfs/dbraw/zinc/66/48/28/727664828.db2.gz ZDEVKHMZUNBFNZ-ZDUSSCGKSA-N 1 0 327.812 2.970 20 5 EFBDRO CC[NH+](CC)CCOC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000916555660 727696181 /nfs/dbraw/zinc/69/61/81/727696181.db2.gz KZTDNSFVJBAWRN-GFCCVEGCSA-N 1 0 326.418 2.960 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000733165253 727709170 /nfs/dbraw/zinc/70/91/70/727709170.db2.gz AFRPYFAJUQSJBC-IUODEOHRSA-N 1 0 339.461 2.778 20 5 EFBDRO CC(C)OCC[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000154113206 727715503 /nfs/dbraw/zinc/71/55/03/727715503.db2.gz SZJQGKXHUDURQR-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO CC[NH+](CC)CCOC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912577496 727726905 /nfs/dbraw/zinc/72/69/05/727726905.db2.gz IACYJPNFNGVZKY-UHFFFAOYSA-N 1 0 349.431 2.696 20 5 EFBDRO O=C([C@@H]1CCn2cncc2C1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653946 727732983 /nfs/dbraw/zinc/73/29/83/727732983.db2.gz XFBGFLIHLZDUDR-CQSZACIVSA-N 1 0 340.383 2.723 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912806181 727744692 /nfs/dbraw/zinc/74/46/92/727744692.db2.gz FDQLOXPRDQQZCS-BBRMVZONSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000912811280 727747311 /nfs/dbraw/zinc/74/73/11/727747311.db2.gz HMHRHIHEKKUSSA-BLLLJJGKSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000912812890 727747699 /nfs/dbraw/zinc/74/76/99/727747699.db2.gz CCFFMTMHPMCHNH-MLGOLLRUSA-N 1 0 337.395 2.926 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912816039 727749014 /nfs/dbraw/zinc/74/90/14/727749014.db2.gz TXNYDLNBOYTODW-GJZGRUSLSA-N 1 0 349.431 2.552 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000916966968 727750922 /nfs/dbraw/zinc/75/09/22/727750922.db2.gz IQRLBJMRXPPICU-HZPDHXFCSA-N 1 0 336.775 2.605 20 5 EFBDRO Cc1cc(F)cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000150944627 727752375 /nfs/dbraw/zinc/75/23/75/727752375.db2.gz RPNMUYGWNSQJEI-CQSZACIVSA-N 1 0 337.395 2.989 20 5 EFBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000917037748 727756221 /nfs/dbraw/zinc/75/62/21/727756221.db2.gz JVYVINWKQMKGJI-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917082695 727764607 /nfs/dbraw/zinc/76/46/07/727764607.db2.gz ZACNOAVHEZRHKC-KGLIPLIRSA-N 1 0 344.415 2.526 20 5 EFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000913098180 727781063 /nfs/dbraw/zinc/78/10/63/727781063.db2.gz ZVAKLUROEKYTGW-NVXWUHKLSA-N 1 0 347.459 2.849 20 5 EFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000913103176 727783117 /nfs/dbraw/zinc/78/31/17/727783117.db2.gz KTLDPKGOOAGSEZ-DZGCQCFKSA-N 1 0 343.383 2.828 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000165828981 728072150 /nfs/dbraw/zinc/07/21/50/728072150.db2.gz KSHJQRMIQGBUTA-DTWKUNHWSA-N 1 0 329.198 2.600 20 5 EFBDRO O=C(Cc1ccoc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000991580265 728086297 /nfs/dbraw/zinc/08/62/97/728086297.db2.gz FNLZLBNFYHDRNQ-UHFFFAOYSA-N 1 0 343.383 2.511 20 5 EFBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000841102416 728305606 /nfs/dbraw/zinc/30/56/06/728305606.db2.gz BXVCJCULPVXCDH-JOYOIKCWSA-N 1 0 326.784 2.839 20 5 EFBDRO C[NH+](C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000070790025 728407441 /nfs/dbraw/zinc/40/74/41/728407441.db2.gz LIESUTDRFWGHAT-CQSZACIVSA-N 1 0 325.372 2.957 20 5 EFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000172956662 728612129 /nfs/dbraw/zinc/61/21/29/728612129.db2.gz KLPISDGAHBCGBJ-OAHLLOKOSA-N 1 0 343.431 2.710 20 5 EFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000920808244 729233186 /nfs/dbraw/zinc/23/31/86/729233186.db2.gz DRQRAPARCQMZIR-GUTXKFCHSA-N 1 0 346.431 2.654 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000921388892 729303629 /nfs/dbraw/zinc/30/36/29/729303629.db2.gz VHKLPTAANMYMHB-OLZOCXBDSA-N 1 0 336.436 2.931 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000921426932 729451971 /nfs/dbraw/zinc/45/19/71/729451971.db2.gz PORCOKCBAHVACB-CABCVRRESA-N 1 0 348.447 2.933 20 5 EFBDRO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180447619 729742442 /nfs/dbraw/zinc/74/24/42/729742442.db2.gz FDUGOXNHCXKUCW-JTQLQIEISA-N 1 0 334.763 2.933 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2sc(C[NH3+])nc2C1 ZINC001574979998 1088185744 /nfs/dbraw/zinc/18/57/44/1088185744.db2.gz OTCQIUKCHBWBIR-KPKJPENVSA-N 1 0 344.440 2.972 20 5 EFBDRO CC(C)(C(=O)NCCCCCC[NH3+])c1ccc([N+](=O)[O-])cc1F ZINC001575092095 1088238197 /nfs/dbraw/zinc/23/81/97/1088238197.db2.gz CDXWECLDGFJOCQ-UHFFFAOYSA-N 1 0 325.384 2.647 20 5 EFBDRO CC(C)[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC001575414792 1088454205 /nfs/dbraw/zinc/45/42/05/1088454205.db2.gz SXJXKRGMLZZJHH-PRHODGIISA-N 1 0 331.775 2.623 20 5 EFBDRO CC(C)[C@H]1[NH2+]CC12CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001575521791 1088529179 /nfs/dbraw/zinc/52/91/79/1088529179.db2.gz UPAYLIQFIDFIGX-OAHLLOKOSA-N 1 0 335.379 2.584 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001575689783 1088633916 /nfs/dbraw/zinc/63/39/16/1088633916.db2.gz OUNRFSXNZKQYOG-HNNXBMFYSA-N 1 0 348.447 2.905 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001576478632 1089284511 /nfs/dbraw/zinc/28/45/11/1089284511.db2.gz HLZJWVLYYAVWHA-LBPRGKRZSA-N 1 0 330.388 2.584 20 5 EFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001576480715 1089286174 /nfs/dbraw/zinc/28/61/74/1089286174.db2.gz NLUCWTXFGWQULI-GFCCVEGCSA-N 1 0 345.321 2.732 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001576489083 1089292095 /nfs/dbraw/zinc/29/20/95/1089292095.db2.gz KFOAULZCITXYOE-GFCCVEGCSA-N 1 0 328.210 2.587 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001576489084 1089292427 /nfs/dbraw/zinc/29/24/27/1089292427.db2.gz KFOAULZCITXYOE-LBPRGKRZSA-N 1 0 328.210 2.587 20 5 EFBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001576682412 1089394016 /nfs/dbraw/zinc/39/40/16/1089394016.db2.gz WCAAXUDFPLPKLR-SJCJKPOMSA-N 1 0 337.395 2.690 20 5 EFBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001576744219 1089432873 /nfs/dbraw/zinc/43/28/73/1089432873.db2.gz HHFXEKRCEFIKAF-ZANVPECISA-N 1 0 345.321 2.618 20 5 EFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001576748348 1089435651 /nfs/dbraw/zinc/43/56/51/1089435651.db2.gz IVCKXAWJGRDMTO-JRKPZEMJSA-N 1 0 345.321 2.730 20 5 EFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CC[NH2+]CC2)O1 ZINC001576807037 1089468868 /nfs/dbraw/zinc/46/88/68/1089468868.db2.gz MIYHSWDZMNWGNC-GFCCVEGCSA-N 1 0 339.823 2.591 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1C[NH3+] ZINC001577096020 1089650297 /nfs/dbraw/zinc/65/02/97/1089650297.db2.gz DJEYJMNXBAYNCZ-OAHLLOKOSA-N 1 0 341.411 2.939 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001577096681 1089652094 /nfs/dbraw/zinc/65/20/94/1089652094.db2.gz UTKHTAOJOSFSHC-DOTOQJQBSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001577096536 1089652532 /nfs/dbraw/zinc/65/25/32/1089652532.db2.gz PWEDWRXSLTVBAT-IMJJTQAJSA-N 1 0 333.432 2.607 20 5 EFBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001577124750 1089674103 /nfs/dbraw/zinc/67/41/03/1089674103.db2.gz OULBEUDKFNKNIH-AWEZNQCLSA-N 1 0 343.383 2.641 20 5 EFBDRO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577636842 1090095294 /nfs/dbraw/zinc/09/52/94/1090095294.db2.gz OFBKTWSLLWUWTB-CYBMUJFWSA-N 1 0 334.420 2.748 20 5 EFBDRO CCOc1cc(CN2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001578166176 1090286856 /nfs/dbraw/zinc/28/68/56/1090286856.db2.gz NKKOFGNELDNYPI-OAHLLOKOSA-N 1 0 327.384 2.884 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001578224215 1090313365 /nfs/dbraw/zinc/31/33/65/1090313365.db2.gz NUKVKHQAJYEPEF-PMPSAXMXSA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001578224214 1090313381 /nfs/dbraw/zinc/31/33/81/1090313381.db2.gz NUKVKHQAJYEPEF-OWCLPIDISA-N 1 0 332.404 2.582 20 5 EFBDRO CC[C@H](NC(=O)N1CCCCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578233232 1090314092 /nfs/dbraw/zinc/31/40/92/1090314092.db2.gz VVGSRHPALTUDPF-ZBFHGGJFSA-N 1 0 334.420 2.959 20 5 EFBDRO C[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001578591359 1090406233 /nfs/dbraw/zinc/40/62/33/1090406233.db2.gz JOTBQKYDGNXLCY-ZDUSSCGKSA-N 1 0 347.802 2.809 20 5 EFBDRO C[NH2+]CC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001578676843 1090418765 /nfs/dbraw/zinc/41/87/65/1090418765.db2.gz PWONIAPCHFHWRK-ZDUSSCGKSA-N 1 0 345.403 2.609 20 5 EFBDRO C[NH2+]CCCN(C)C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001578684124 1090420554 /nfs/dbraw/zinc/42/05/54/1090420554.db2.gz MCHWIOZDVOKZNF-UHFFFAOYSA-N 1 0 348.325 2.995 20 5 EFBDRO COC(=O)/C=C\c1ccc(NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001578798710 1090444943 /nfs/dbraw/zinc/44/49/43/1090444943.db2.gz YYRLKPGTOLZLQP-CLFYSBASSA-N 1 0 341.367 2.852 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001578864567 1090457988 /nfs/dbraw/zinc/45/79/88/1090457988.db2.gz RASANUWGEYXQNR-NVXWUHKLSA-N 1 0 341.367 2.726 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC001578874389 1090461288 /nfs/dbraw/zinc/46/12/88/1090461288.db2.gz OFUBYABGFRRIKE-MRXNPFEDSA-N 1 0 347.415 2.596 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH3+])CCc2ccccc21 ZINC001579179942 1090536698 /nfs/dbraw/zinc/53/66/98/1090536698.db2.gz ISJBWAJJIHLHJU-CYBMUJFWSA-N 1 0 341.367 2.524 20 5 EFBDRO COc1ccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001579193940 1090542129 /nfs/dbraw/zinc/54/21/29/1090542129.db2.gz YDIWXZDLYCGSGA-SGTLLEGYSA-N 1 0 343.383 2.655 20 5 EFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2Nc2ncc([N+](=O)[O-])s2)cc1 ZINC001579238973 1090555596 /nfs/dbraw/zinc/55/55/96/1090555596.db2.gz FXLMUFFJTHRVGB-STQMWFEESA-N 1 0 334.401 2.618 20 5 EFBDRO COc1ccc([C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2[NH3+])cc1 ZINC001579240418 1090556969 /nfs/dbraw/zinc/55/69/69/1090556969.db2.gz WOAOLFGYNPCWLK-UONOGXRCSA-N 1 0 348.790 2.583 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])c1 ZINC001579242624 1090557626 /nfs/dbraw/zinc/55/76/26/1090557626.db2.gz USIUGVKUCCXUPQ-ZDUSSCGKSA-N 1 0 341.367 2.524 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001579393308 1090604124 /nfs/dbraw/zinc/60/41/24/1090604124.db2.gz NLXDWTNBTQELMX-LBPRGKRZSA-N 1 0 343.408 2.847 20 5 EFBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001579410899 1090608094 /nfs/dbraw/zinc/60/80/94/1090608094.db2.gz DZZNYPNFBGXMKT-OLZOCXBDSA-N 1 0 332.404 2.630 20 5 EFBDRO C[C@@H](NC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001579410685 1090608180 /nfs/dbraw/zinc/60/81/80/1090608180.db2.gz CBLBNNRGTAIENK-CYBMUJFWSA-N 1 0 346.431 2.829 20 5 EFBDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001579410896 1090608374 /nfs/dbraw/zinc/60/83/74/1090608374.db2.gz DZZNYPNFBGXMKT-CHWSQXEVSA-N 1 0 332.404 2.630 20 5 EFBDRO C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC001579423343 1090611117 /nfs/dbraw/zinc/61/11/17/1090611117.db2.gz GVLXZFUTCDLWJH-MNOVXSKESA-N 1 0 342.237 2.917 20 5 EFBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001579539472 1090629606 /nfs/dbraw/zinc/62/96/06/1090629606.db2.gz HSWWHYIBVKYFAL-ZJUUUORDSA-N 1 0 346.309 2.504 20 5 EFBDRO Cc1c(NC(=O)CCN2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC001579539769 1090630476 /nfs/dbraw/zinc/63/04/76/1090630476.db2.gz LOOYOEIPTXVOIU-CFVMTHIKSA-N 1 0 348.447 2.680 20 5 EFBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001579556373 1090633230 /nfs/dbraw/zinc/63/32/30/1090633230.db2.gz HDLYBVVQDIWDES-OAHLLOKOSA-N 1 0 325.368 2.824 20 5 EFBDRO Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001579595985 1090639697 /nfs/dbraw/zinc/63/96/97/1090639697.db2.gz OQMFQDPSTGWLGA-CQSZACIVSA-N 1 0 343.383 2.975 20 5 EFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC001579607768 1090641812 /nfs/dbraw/zinc/64/18/12/1090641812.db2.gz HMVAFJYGIJJEAO-UHFFFAOYSA-N 1 0 333.319 2.632 20 5 EFBDRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001579630233 1090647063 /nfs/dbraw/zinc/64/70/63/1090647063.db2.gz KEKQZYIKGUHOKR-WDEREUQCSA-N 1 0 346.309 2.647 20 5 EFBDRO Cc1cc(OC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c(Cl)cc1[N+](=O)[O-] ZINC001579639290 1090648671 /nfs/dbraw/zinc/64/86/71/1090648671.db2.gz CEHJDRZJSRJFIN-IAQYHMDHSA-N 1 0 326.780 2.704 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC001579642397 1090649080 /nfs/dbraw/zinc/64/90/80/1090649080.db2.gz DESJBPLUIXWOLW-MRXNPFEDSA-N 1 0 342.399 2.851 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001579642844 1090649557 /nfs/dbraw/zinc/64/95/57/1090649557.db2.gz YSHXJBVCTFPMEC-INIZCTEOSA-N 1 0 337.807 2.772 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001579642477 1090649577 /nfs/dbraw/zinc/64/95/77/1090649577.db2.gz HYXPSNICXPQIGZ-SMDDNHRTSA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1Cl ZINC001579642764 1090649838 /nfs/dbraw/zinc/64/98/38/1090649838.db2.gz UUUYSXZKIJDJQE-SNVBAGLBSA-N 1 0 339.701 2.518 20 5 EFBDRO Cc1ccc(NC(=O)C2CC3(C2)C[C@@H]([NH3+])CCS3)cc1[N+](=O)[O-] ZINC001579715685 1090669300 /nfs/dbraw/zinc/66/93/00/1090669300.db2.gz GLLWNIQOJVPJTK-BGMSHATGSA-N 1 0 335.429 2.845 20 5 EFBDRO Cc1ccc(NC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001579720250 1090670969 /nfs/dbraw/zinc/67/09/69/1090670969.db2.gz VAPSVOKFKJFPGK-ZDUSSCGKSA-N 1 0 332.404 2.899 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1OCC[NH2+]C2 ZINC001579734388 1090674265 /nfs/dbraw/zinc/67/42/65/1090674265.db2.gz QVIJTXHNENCUBX-UHFFFAOYSA-N 1 0 327.340 2.638 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)c1 ZINC001579734869 1090674496 /nfs/dbraw/zinc/67/44/96/1090674496.db2.gz QCMQBWSNGAUFPY-LBPRGKRZSA-N 1 0 343.358 2.820 20 5 EFBDRO Cc1cccc(C(=O)N2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1[N+](=O)[O-] ZINC001579750289 1090678535 /nfs/dbraw/zinc/67/85/35/1090678535.db2.gz MJGCHOPWVDWFAM-INIZCTEOSA-N 1 0 331.416 2.753 20 5 EFBDRO [NH3+][C@@H](CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)c1ccccc1 ZINC001580117907 1090778589 /nfs/dbraw/zinc/77/85/89/1090778589.db2.gz FEBWMTBPXOGIHY-ZDUSSCGKSA-N 1 0 329.331 2.713 20 5 EFBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580177532 1090801328 /nfs/dbraw/zinc/80/13/28/1090801328.db2.gz QCBCGXWMUNLJOT-DJIMGWMZSA-N 1 0 331.416 2.818 20 5 EFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001580206403 1090809808 /nfs/dbraw/zinc/80/98/08/1090809808.db2.gz FWVYFULBDGHAFO-LBPRGKRZSA-N 1 0 336.351 2.606 20 5 EFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580249859 1090832087 /nfs/dbraw/zinc/83/20/87/1090832087.db2.gz DBKDUWCKSNGLEO-SJCJKPOMSA-N 1 0 329.356 2.685 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001580289545 1090851416 /nfs/dbraw/zinc/85/14/16/1090851416.db2.gz LUELWTYVXBORCD-MRXNPFEDSA-N 1 0 345.374 2.873 20 5 EFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001580331805 1090864976 /nfs/dbraw/zinc/86/49/76/1090864976.db2.gz MDUXKDAABSPUCB-UMSPYCQHSA-N 1 0 340.811 2.565 20 5 EFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC001580340025 1090869658 /nfs/dbraw/zinc/86/96/58/1090869658.db2.gz JFCKYQPFVFZWPM-UHFFFAOYSA-N 1 0 347.758 2.746 20 5 EFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580482112 1090914745 /nfs/dbraw/zinc/91/47/45/1090914745.db2.gz WUCOOZDHICZVJR-KCXAZCMYSA-N 1 0 329.400 2.795 20 5 EFBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC12CCCCC2 ZINC001580564857 1090951316 /nfs/dbraw/zinc/95/13/16/1090951316.db2.gz IIDHSSYOHQUVAU-UHFFFAOYSA-N 1 0 349.456 2.822 20 5 EFBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580596581 1090962151 /nfs/dbraw/zinc/96/21/51/1090962151.db2.gz IZGIHVXNKLAGGC-TZMCWYRMSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001580613529 1090966954 /nfs/dbraw/zinc/96/69/54/1090966954.db2.gz AWEDZEKKYOVEFP-LBPRGKRZSA-N 1 0 343.305 2.628 20 5 EFBDRO O=C(NC[C@@H]1CC[NH2+]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001580660536 1090978908 /nfs/dbraw/zinc/97/89/08/1090978908.db2.gz BJSNQTSYLWOIPN-ZDUSSCGKSA-N 1 0 343.408 2.838 20 5 EFBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1([NH2+]C2CC2)CCC1 ZINC001580757917 1090998664 /nfs/dbraw/zinc/99/86/64/1090998664.db2.gz QCGYNZJEFWGQGW-UHFFFAOYSA-N 1 0 341.371 2.598 20 5 EFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CC[NH2+]C1 ZINC001580778333 1091006031 /nfs/dbraw/zinc/00/60/31/1091006031.db2.gz GXOXUPIEPYGWGQ-CYBMUJFWSA-N 1 0 342.355 2.871 20 5 EFBDRO O=C(Nc1ccnc([C@H]2CCC[NH2+]2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001580785518 1091008160 /nfs/dbraw/zinc/00/81/60/1091008160.db2.gz RGWLEUIHIVTHHD-GFCCVEGCSA-N 1 0 347.762 2.715 20 5 EFBDRO O=C(Nc1ccnc([C@@H]2CCC[NH2+]2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001580785467 1091008531 /nfs/dbraw/zinc/00/85/31/1091008531.db2.gz PKRKLGMTRRLRTO-LBPRGKRZSA-N 1 0 347.762 2.715 20 5 EFBDRO O=C(Nc1ccnc([C@H]2CCC[NH2+]2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001580785466 1091008544 /nfs/dbraw/zinc/00/85/44/1091008544.db2.gz PKRKLGMTRRLRTO-GFCCVEGCSA-N 1 0 347.762 2.715 20 5 EFBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001580799703 1091013092 /nfs/dbraw/zinc/01/30/92/1091013092.db2.gz OSPHCVJMKJEQJR-UONOGXRCSA-N 1 0 326.356 2.612 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001580821183 1091020587 /nfs/dbraw/zinc/02/05/87/1091020587.db2.gz QDHTYSFPTRKYAZ-RYUDHWBXSA-N 1 0 337.807 2.710 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001580821181 1091020767 /nfs/dbraw/zinc/02/07/67/1091020767.db2.gz QDHTYSFPTRKYAZ-NEPJUHHUSA-N 1 0 337.807 2.710 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001580821568 1091021125 /nfs/dbraw/zinc/02/11/25/1091021125.db2.gz YWBIIVOYLAAJQJ-QWHCGFSZSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001580821569 1091021479 /nfs/dbraw/zinc/02/14/79/1091021479.db2.gz YWBIIVOYLAAJQJ-STQMWFEESA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1c(N2CCC3(CC2)C[NH2+]CCO3)cccc1C(F)(F)F ZINC001580874799 1091030978 /nfs/dbraw/zinc/03/09/78/1091030978.db2.gz JHCJNHWGEGMPIE-UHFFFAOYSA-N 1 0 345.321 2.572 20 5 EFBDRO O=[N+]([O-])c1cnc(NCCCCCN2CC[NH2+]CC2)c2ccccc21 ZINC001580876037 1091031237 /nfs/dbraw/zinc/03/12/37/1091031237.db2.gz XWUYKSVKQPUSQV-UHFFFAOYSA-N 1 0 343.431 2.630 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@@H]4[NH2+]CC[C@H]43)c2c1 ZINC001580874659 1091031251 /nfs/dbraw/zinc/03/12/51/1091031251.db2.gz HALBXDLBNIMKAL-QWHCGFSZSA-N 1 0 333.779 2.522 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1C[NH2+]CCC1(F)F ZINC001580874859 1091031379 /nfs/dbraw/zinc/03/13/79/1091031379.db2.gz MHSRCDGZUNUYHI-JTQLQIEISA-N 1 0 336.136 2.766 20 5 EFBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001580875321 1091031425 /nfs/dbraw/zinc/03/14/25/1091031425.db2.gz IXTYXGFYGKDXON-MRXNPFEDSA-N 1 0 332.791 2.986 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001581199110 1091091797 /nfs/dbraw/zinc/09/17/97/1091091797.db2.gz GQFKLLRLFGZKET-UHFFFAOYSA-N 1 0 342.334 2.512 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104397087 1092434724 /nfs/dbraw/zinc/43/47/24/1092434724.db2.gz WTQHVCUPMXTPKE-UHFFFAOYSA-N 1 0 348.447 2.776 20 5 EFBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001104407181 1092713821 /nfs/dbraw/zinc/71/38/21/1092713821.db2.gz FGIYMDYEVIWTQL-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC[N@H+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC001104407214 1092714114 /nfs/dbraw/zinc/71/41/14/1092714114.db2.gz GWAYUVNQBWFOOT-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC001167620827 1093125724 /nfs/dbraw/zinc/12/57/24/1093125724.db2.gz TYOFSUHNGQUYRQ-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589844120 1093158222 /nfs/dbraw/zinc/15/82/22/1093158222.db2.gz JICNLFIXWVNVOS-LLVKDONJSA-N 1 0 332.408 2.889 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589844121 1093158611 /nfs/dbraw/zinc/15/86/11/1093158611.db2.gz JICNLFIXWVNVOS-NSHDSACASA-N 1 0 332.408 2.889 20 5 EFBDRO CC1(C)CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590096927 1093267010 /nfs/dbraw/zinc/26/70/10/1093267010.db2.gz OBHWKNYRSPINRQ-UHFFFAOYSA-N 1 0 330.392 2.787 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001590432968 1093420044 /nfs/dbraw/zinc/42/00/44/1093420044.db2.gz TXQVKNVJJYYBLG-OAHLLOKOSA-N 1 0 347.423 2.553 20 5 EFBDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590489201 1093450691 /nfs/dbraw/zinc/45/06/91/1093450691.db2.gz BHNUIGNOPGBOGQ-INIZCTEOSA-N 1 0 330.392 2.787 20 5 EFBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590569036 1093494179 /nfs/dbraw/zinc/49/41/79/1093494179.db2.gz JNPHDSVFGUFDTB-GFCCVEGCSA-N 1 0 330.392 2.930 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001590688027 1093549826 /nfs/dbraw/zinc/54/98/26/1093549826.db2.gz TVLANPSBIWDTTA-GFCCVEGCSA-N 1 0 347.423 2.697 20 5 EFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590849763 1093596463 /nfs/dbraw/zinc/59/64/63/1093596463.db2.gz BVGCHJVWIZVBNM-JSGCOSHPSA-N 1 0 348.432 2.539 20 5 EFBDRO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC001591126416 1093664472 /nfs/dbraw/zinc/66/44/72/1093664472.db2.gz VCDVXGLYGZHOPO-LBPRGKRZSA-N 1 0 328.376 2.563 20 5 EFBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(C)c2)cc1[N+](=O)[O-] ZINC001591969309 1093938111 /nfs/dbraw/zinc/93/81/11/1093938111.db2.gz XTAGUVSZKPZRHJ-UHFFFAOYSA-N 1 0 338.371 2.682 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC001592165318 1094010379 /nfs/dbraw/zinc/01/03/79/1094010379.db2.gz KEDQHBCRILANLU-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001593466713 1094308983 /nfs/dbraw/zinc/30/89/83/1094308983.db2.gz FKWRMROLNHFRGV-UHFFFAOYSA-N 1 0 342.403 2.931 20 5 EFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CCCC2)CC1 ZINC001593467889 1094310914 /nfs/dbraw/zinc/31/09/14/1094310914.db2.gz WUNVTZJWTNSEOB-UHFFFAOYSA-N 1 0 342.403 2.931 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001593483129 1094327507 /nfs/dbraw/zinc/32/75/07/1094327507.db2.gz VRYFJFRJMKTTET-BXUZGUMPSA-N 1 0 328.376 2.539 20 5 EFBDRO C[C@H]1[NH2+]C[C@H]1Oc1c(Br)cc2c(c1[N+](=O)[O-])CCC2 ZINC001218393200 1094455624 /nfs/dbraw/zinc/45/56/24/1094455624.db2.gz SXCYKMDFMYGJLM-RDDDGLTNSA-N 1 0 327.178 2.585 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1Br ZINC001218398885 1094479604 /nfs/dbraw/zinc/47/96/04/1094479604.db2.gz JZFJRZMXKAJRAC-LBPRGKRZSA-N 1 0 327.178 2.878 20 5 EFBDRO COC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000782947907 1094542427 /nfs/dbraw/zinc/54/24/27/1094542427.db2.gz OJQXZHYGUHFADT-LBPRGKRZSA-N 1 0 344.371 2.516 20 5 EFBDRO CO[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000782953145 1094558880 /nfs/dbraw/zinc/55/88/80/1094558880.db2.gz QCCWDCUEHSOYSF-ZDUSSCGKSA-N 1 0 329.278 2.863 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218450302 1094800407 /nfs/dbraw/zinc/80/04/07/1094800407.db2.gz ZEYLHKNOVNUSPO-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000782634421 1095191112 /nfs/dbraw/zinc/19/11/12/1095191112.db2.gz QOAWKWDTIHOUDP-GFCCVEGCSA-N 1 0 336.392 2.599 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nc(C[NH3+])c2ccccc21 ZINC001167698430 1095994551 /nfs/dbraw/zinc/99/45/51/1095994551.db2.gz WXMBHCWFZBIDKN-UHFFFAOYSA-N 1 0 340.339 2.569 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001604061197 1096714744 /nfs/dbraw/zinc/71/47/44/1096714744.db2.gz KRYORILXIVPNSW-CHWSQXEVSA-N 1 0 330.392 2.689 20 5 EFBDRO CC[C@H]1CCCCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604103233 1096738835 /nfs/dbraw/zinc/73/88/35/1096738835.db2.gz SIJDTSOIJINWBD-LBPRGKRZSA-N 1 0 330.392 2.930 20 5 EFBDRO CCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001604144849 1096751806 /nfs/dbraw/zinc/75/18/06/1096751806.db2.gz MWLIHDXPXKPIJS-CQSZACIVSA-N 1 0 330.392 2.833 20 5 EFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609074618 1098132972 /nfs/dbraw/zinc/13/29/72/1098132972.db2.gz VHBHGYYGHFYHJS-CQSZACIVSA-N 1 0 330.392 2.785 20 5 EFBDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3nc4ccccc4nc31)C2 ZINC001269504622 1098197892 /nfs/dbraw/zinc/19/78/92/1098197892.db2.gz IGZJBKRQKGJOIS-KGLIPLIRSA-N 1 0 332.407 2.559 20 5 EFBDRO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001609225708 1098213339 /nfs/dbraw/zinc/21/33/39/1098213339.db2.gz RCBJSVJVNXXSLF-UHFFFAOYSA-N 1 0 330.392 2.785 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+](C1CCC1)C1CCC1 ZINC001609602498 1098395403 /nfs/dbraw/zinc/39/54/03/1098395403.db2.gz PVWPWOGALZXTMM-UHFFFAOYSA-N 1 0 328.376 2.682 20 5 EFBDRO CC[N+](C)(C)Cc1ccccc1Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001167762914 1099080970 /nfs/dbraw/zinc/08/09/70/1099080970.db2.gz RORPCLDKSCMULL-UHFFFAOYSA-O 1 0 329.424 2.624 20 5 EFBDRO CCOc1cnc(-n2cc(CC[NH3+])c3cc(O)ccc32)c([N+](=O)[O-])c1 ZINC001167984154 1099438581 /nfs/dbraw/zinc/43/85/81/1099438581.db2.gz WTAQFJGSKZYCPC-UHFFFAOYSA-N 1 0 342.355 2.539 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000843765490 1099694113 /nfs/dbraw/zinc/69/41/13/1099694113.db2.gz IHHCAPKENWJGQV-RYUDHWBXSA-N 1 0 337.395 2.893 20 5 EFBDRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729526393 1100217706 /nfs/dbraw/zinc/21/77/06/1100217706.db2.gz YWNCWPYCTIETME-UHFFFAOYSA-N 1 0 348.447 2.678 20 5 EFBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167086296 1101539270 /nfs/dbraw/zinc/53/92/70/1101539270.db2.gz YGEKXNRFPJCNMH-UHFFFAOYSA-N 1 0 347.737 2.767 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000748087680 1101568639 /nfs/dbraw/zinc/56/86/39/1101568639.db2.gz AESMCARPTALCBY-CQSZACIVSA-N 1 0 330.388 2.774 20 5 EFBDRO C[NH2+]Cc1c(C)nn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c1C ZINC001167098067 1101646014 /nfs/dbraw/zinc/64/60/14/1101646014.db2.gz BJZPYILWTWXSJN-UHFFFAOYSA-N 1 0 345.737 2.774 20 5 EFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000840776255 1101670891 /nfs/dbraw/zinc/67/08/91/1101670891.db2.gz HWMWMTPCUAWCHJ-IRXDYDNUSA-N 1 0 334.416 2.765 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000070171367 1101767580 /nfs/dbraw/zinc/76/75/80/1101767580.db2.gz GFLSYYBBRINTFP-JTQLQIEISA-N 1 0 328.210 2.923 20 5 EFBDRO C[NH2+]Cc1cn(-c2nc(OC)nc(C)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167122728 1101798932 /nfs/dbraw/zinc/79/89/32/1101798932.db2.gz AMBGRMQENVKHRR-UHFFFAOYSA-N 1 0 341.371 2.674 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCc3nccn3CC2)nc1-c1ccccc1 ZINC001167182047 1102005592 /nfs/dbraw/zinc/00/55/92/1102005592.db2.gz MIMHBNJUZGBDMH-UHFFFAOYSA-N 1 0 335.367 2.916 20 5 EFBDRO COC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783597534 1102394890 /nfs/dbraw/zinc/39/48/90/1102394890.db2.gz NEFMFDAQYPNRNI-UHFFFAOYSA-N 1 0 327.768 2.569 20 5 EFBDRO Cc1ccc(F)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001167320276 1102574626 /nfs/dbraw/zinc/57/46/26/1102574626.db2.gz TXWXVGLALBWWPB-UHFFFAOYSA-N 1 0 345.374 2.952 20 5 EFBDRO C[C@H]1Cc2cc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000905565949 1103332421 /nfs/dbraw/zinc/33/24/21/1103332421.db2.gz UGHSUXGQSLMKAF-YVEFUNNKSA-N 1 0 328.368 2.741 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841233116 1103441480 /nfs/dbraw/zinc/44/14/80/1103441480.db2.gz LMFQCXDHBZPENX-HBNTYKKESA-N 1 0 338.795 2.758 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000905644648 1103462807 /nfs/dbraw/zinc/46/28/07/1103462807.db2.gz RKXAKNCRMGDUEV-CVEARBPZSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000905644650 1103463027 /nfs/dbraw/zinc/46/30/27/1103463027.db2.gz RKXAKNCRMGDUEV-HZPDHXFCSA-N 1 0 332.331 2.881 20 5 EFBDRO Cc1nc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c(C)c1Br ZINC001168188504 1104344361 /nfs/dbraw/zinc/34/43/61/1104344361.db2.gz ZJNPTTQPUJHBIR-UHFFFAOYSA-N 1 0 343.225 2.923 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)cc1Cl ZINC000784140695 1104352909 /nfs/dbraw/zinc/35/29/09/1104352909.db2.gz FEHMSIJCWMKXNB-UHFFFAOYSA-N 1 0 341.795 2.789 20 5 EFBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000729684945 1104780423 /nfs/dbraw/zinc/78/04/23/1104780423.db2.gz NDWQBPKRTNWMBY-YVMONPNESA-N 1 0 337.379 2.787 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000897684000 1106047580 /nfs/dbraw/zinc/04/75/80/1106047580.db2.gz JBYUWTXQPPRQOW-BDJLRTHQSA-N 1 0 332.356 2.676 20 5 EFBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000897708945 1106060366 /nfs/dbraw/zinc/06/03/66/1106060366.db2.gz GAGYDJLQUCXERW-UHFFFAOYSA-N 1 0 333.310 2.572 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000897876385 1106126158 /nfs/dbraw/zinc/12/61/58/1106126158.db2.gz NVKANPYXTQFKRS-SFHVURJKSA-N 1 0 331.416 2.770 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000897891728 1106133627 /nfs/dbraw/zinc/13/36/27/1106133627.db2.gz NNBZDFHPJXUBEM-NVXWUHKLSA-N 1 0 332.356 2.748 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@H](O)C2CC2)cc1Br ZINC000898198071 1106277416 /nfs/dbraw/zinc/27/74/16/1106277416.db2.gz AWHJUZMQAYRBAX-JTQLQIEISA-N 1 0 335.223 2.669 20 5 EFBDRO O=C(C1CC=CC1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000990504050 1108134006 /nfs/dbraw/zinc/13/40/06/1108134006.db2.gz MMAIFJKOQIBTLS-UHFFFAOYSA-N 1 0 335.429 2.703 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000128000865 1108411515 /nfs/dbraw/zinc/41/15/15/1108411515.db2.gz OWUVUWCMKWMYCN-UHFFFAOYSA-N 1 0 332.429 2.852 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H]1CCC[NH2+]C1 ZINC000097368799 1108543416 /nfs/dbraw/zinc/54/34/16/1108543416.db2.gz UUMWPHPUHQJKGE-MRVPVSSYSA-N 1 0 333.157 2.875 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000898849717 1109104613 /nfs/dbraw/zinc/10/46/13/1109104613.db2.gz UZGBJZAHBZNGMP-ZIAGYGMSSA-N 1 0 337.807 2.851 20 5 EFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000898849710 1109104901 /nfs/dbraw/zinc/10/49/01/1109104901.db2.gz UZGBJZAHBZNGMP-KBPBESRZSA-N 1 0 337.807 2.851 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000898849714 1109105043 /nfs/dbraw/zinc/10/50/43/1109105043.db2.gz UZGBJZAHBZNGMP-UONOGXRCSA-N 1 0 337.807 2.851 20 5 EFBDRO COc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1C[C@H](C[NH3+])CO ZINC000899323019 1109282981 /nfs/dbraw/zinc/28/29/81/1109282981.db2.gz LZMIUHDKEFTZOZ-LLVKDONJSA-N 1 0 334.347 2.519 20 5 EFBDRO Cc1ccc(NC(=O)CCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000899910932 1109548572 /nfs/dbraw/zinc/54/85/72/1109548572.db2.gz LNPBBMYRSMXGST-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000899938233 1109555659 /nfs/dbraw/zinc/55/56/59/1109555659.db2.gz YELUWDIFHDKEFN-UHFFFAOYSA-N 1 0 348.447 2.566 20 5 EFBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159486898 1109661472 /nfs/dbraw/zinc/66/14/72/1109661472.db2.gz CKWDCFPGCBGRAV-NSHDSACASA-N 1 0 328.210 2.671 20 5 EFBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159493191 1109665436 /nfs/dbraw/zinc/66/54/36/1109665436.db2.gz FIOXUEPCPOPCAB-AOOOYVTPSA-N 1 0 328.210 2.540 20 5 EFBDRO CC[NH+](CC)CC(=O)N1CCC(C)(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001112353174 1111219439 /nfs/dbraw/zinc/21/94/39/1111219439.db2.gz UFYYOVSXXNILBI-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[NH+](C)C ZINC000914739030 1111351684 /nfs/dbraw/zinc/35/16/84/1111351684.db2.gz SOGRZOAAISRNOE-CQSZACIVSA-N 1 0 348.447 2.511 20 5 EFBDRO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)C[NH+](CC)CC ZINC001106776273 1111822548 /nfs/dbraw/zinc/82/25/48/1111822548.db2.gz ZUORYXIBTSVPIX-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C ZINC001106779019 1111826410 /nfs/dbraw/zinc/82/64/10/1111826410.db2.gz RDIVYQWPJTVYQY-UHFFFAOYSA-N 1 0 336.436 2.504 20 5 EFBDRO CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC001106874218 1111939305 /nfs/dbraw/zinc/93/93/05/1111939305.db2.gz WUQVRKVOYBJHMT-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001106926251 1118604778 /nfs/dbraw/zinc/60/47/78/1118604778.db2.gz BRZVQBHAWDYNNE-UHFFFAOYSA-N 1 0 336.436 2.505 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053303466 214176133 /nfs/dbraw/zinc/17/61/33/214176133.db2.gz LOMUHOMAHJJEAV-BETUJISGSA-N 1 0 348.447 2.785 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053303468 214176165 /nfs/dbraw/zinc/17/61/65/214176165.db2.gz LOMUHOMAHJJEAV-STQMWFEESA-N 1 0 348.447 2.785 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000174149574 231132636 /nfs/dbraw/zinc/13/26/36/231132636.db2.gz VEVJFDITGJVZDK-KGLIPLIRSA-N 1 0 335.404 2.589 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174321151 231177066 /nfs/dbraw/zinc/17/70/66/231177066.db2.gz JCTTYAUNFSWPBE-LBPRGKRZSA-N 1 0 337.807 2.806 20 5 EFBDRO C[NH+](C)[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000431738082 282168780 /nfs/dbraw/zinc/16/87/80/282168780.db2.gz UZHGQTSTAWKGIY-KRWDZBQOSA-N 1 0 327.384 2.904 20 5 EFBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174464098 231214993 /nfs/dbraw/zinc/21/49/93/231214993.db2.gz CBFCGDQXOACDKS-CYBMUJFWSA-N 1 0 346.431 2.882 20 5 EFBDRO Cc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174873200 231331612 /nfs/dbraw/zinc/33/16/12/231331612.db2.gz PMFCTURCRVYDCR-UHFFFAOYSA-N 1 0 329.404 2.676 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000063503545 214757849 /nfs/dbraw/zinc/75/78/49/214757849.db2.gz ZQOMXMLDDMOCIK-CQSZACIVSA-N 1 0 347.415 2.733 20 5 EFBDRO C[NH+](C)[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000431738083 282235796 /nfs/dbraw/zinc/23/57/96/282235796.db2.gz UZHGQTSTAWKGIY-QGZVFWFLSA-N 1 0 327.384 2.904 20 5 EFBDRO CCc1nn(C)c(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000160232922 529767662 /nfs/dbraw/zinc/76/76/62/529767662.db2.gz VTOJENHMZXZMCB-XJKSGUPXSA-N 1 0 343.431 2.823 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000157785673 529871962 /nfs/dbraw/zinc/87/19/62/529871962.db2.gz AJFVQONIVKJTBR-UHFFFAOYSA-N 1 0 334.401 2.554 20 5 EFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000178414528 529928206 /nfs/dbraw/zinc/92/82/06/529928206.db2.gz DATOTAXVGSWXMB-XMMPIXPASA-N 1 0 348.424 2.843 20 5 EFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000174943293 529970361 /nfs/dbraw/zinc/97/03/61/529970361.db2.gz RAPSURVINJLAHG-OAHLLOKOSA-N 1 0 343.383 2.782 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000178351448 529980142 /nfs/dbraw/zinc/98/01/42/529980142.db2.gz UTOXDZRVBLLLBE-CMPLNLGQSA-N 1 0 325.796 2.724 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000178351434 529980401 /nfs/dbraw/zinc/98/04/01/529980401.db2.gz UTOXDZRVBLLLBE-ZYHUDNBSSA-N 1 0 325.796 2.724 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000101589067 219143107 /nfs/dbraw/zinc/14/31/07/219143107.db2.gz ZCDLTRPLQSBOKZ-OAHLLOKOSA-N 1 0 333.388 2.979 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@@H]21 ZINC000152763678 530058647 /nfs/dbraw/zinc/05/86/47/530058647.db2.gz PAYRCDYLLCULJE-OCCSQVGLSA-N 1 0 337.807 2.805 20 5 EFBDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000101632017 219147807 /nfs/dbraw/zinc/14/78/07/219147807.db2.gz ZTJJLHZCOUOEFV-UHFFFAOYSA-N 1 0 335.404 2.642 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340133200 535011256 /nfs/dbraw/zinc/01/12/56/535011256.db2.gz GREWNUAGNWEVCM-UHFFFAOYSA-N 1 0 343.811 2.651 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[N@@H+]4CCC[C@@H]4C3)o2)c1 ZINC000178622266 232314637 /nfs/dbraw/zinc/31/46/37/232314637.db2.gz VMEKZMVCLSFXCD-MRXNPFEDSA-N 1 0 342.399 2.572 20 5 EFBDRO C[NH+]1CCC(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000102640860 219217295 /nfs/dbraw/zinc/21/72/95/219217295.db2.gz AECAHYURRMJFGU-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO Cn1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000345299383 282569560 /nfs/dbraw/zinc/56/95/60/282569560.db2.gz INPLLBWGZIMZMG-HNNXBMFYSA-N 1 0 342.399 2.500 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179141244 232772962 /nfs/dbraw/zinc/77/29/62/232772962.db2.gz ITQBBZNBRXWVNV-QGPMSJSTSA-N 1 0 336.432 2.683 20 5 EFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179552757 233158182 /nfs/dbraw/zinc/15/81/82/233158182.db2.gz WEZFJEQZVUGWPV-UHFFFAOYSA-N 1 0 342.399 2.749 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000179576336 233183900 /nfs/dbraw/zinc/18/39/00/233183900.db2.gz SRKZPRNNQNZHJR-OAHLLOKOSA-N 1 0 333.432 2.934 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069044861 215356821 /nfs/dbraw/zinc/35/68/21/215356821.db2.gz ODWXNSOAFISCFC-FEAKQIBJSA-N 1 0 331.416 2.845 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000181469818 234196731 /nfs/dbraw/zinc/19/67/31/234196731.db2.gz NQUAAWUHHJWHNB-OAHLLOKOSA-N 1 0 337.420 2.619 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183391261 235044389 /nfs/dbraw/zinc/04/43/89/235044389.db2.gz QWZWPBHSMZWDLP-RYUDHWBXSA-N 1 0 345.403 2.623 20 5 EFBDRO Cc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000184600486 235442880 /nfs/dbraw/zinc/44/28/80/235442880.db2.gz RIVAPGKCAFLSTF-UHFFFAOYSA-N 1 0 332.404 2.899 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCCC1 ZINC000129027984 223014010 /nfs/dbraw/zinc/01/40/10/223014010.db2.gz ZIZABECMYLWAEF-UHFFFAOYSA-N 1 0 341.358 2.725 20 5 EFBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1([NH+](C)C)CCC1 ZINC000186927828 236067504 /nfs/dbraw/zinc/06/75/04/236067504.db2.gz YANBHZDAWFNDBW-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186961879 236078947 /nfs/dbraw/zinc/07/89/47/236078947.db2.gz RWPCFZMPIJLRCL-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187165309 236134765 /nfs/dbraw/zinc/13/47/65/236134765.db2.gz FZWCPSKPYLOVEG-IFXJQAMLSA-N 1 0 341.411 2.945 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187276747 236165177 /nfs/dbraw/zinc/16/51/77/236165177.db2.gz HEBDMZZENVHZNC-ZDUSSCGKSA-N 1 0 334.420 2.561 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187276727 236165417 /nfs/dbraw/zinc/16/54/17/236165417.db2.gz HEBDMZZENVHZNC-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000187889551 236329121 /nfs/dbraw/zinc/32/91/21/236329121.db2.gz ZYPIYRQGNSYVPP-UHFFFAOYSA-N 1 0 325.796 2.805 20 5 EFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188224255 236478061 /nfs/dbraw/zinc/47/80/61/236478061.db2.gz UFMDKJCYWJAOIW-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO [NH3+]C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCCC1 ZINC000237909150 283495042 /nfs/dbraw/zinc/49/50/42/283495042.db2.gz JRUBTKMCXNLLKJ-ZDUSSCGKSA-N 1 0 325.796 2.886 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040602022 283590678 /nfs/dbraw/zinc/59/06/78/283590678.db2.gz LYGAJVUOSDHBTB-SNVBAGLBSA-N 1 0 328.210 2.793 20 5 EFBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129785326 223091302 /nfs/dbraw/zinc/09/13/02/223091302.db2.gz LBUBWODDLPVKDR-LZLYRXPVSA-N 1 0 347.459 2.616 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000130263261 223137805 /nfs/dbraw/zinc/13/78/05/223137805.db2.gz SQDNTQITYPMPEH-ZIAGYGMSSA-N 1 0 334.420 2.557 20 5 EFBDRO NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130690745 223170217 /nfs/dbraw/zinc/17/02/17/223170217.db2.gz SXILRKKGARBHLY-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000131651938 223254457 /nfs/dbraw/zinc/25/44/57/223254457.db2.gz SFRCBKGRRLECIS-ZDUSSCGKSA-N 1 0 337.376 2.828 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000072823241 216311498 /nfs/dbraw/zinc/31/14/98/216311498.db2.gz XEDNCFLRCVSLMA-GJZGRUSLSA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072823992 216312454 /nfs/dbraw/zinc/31/24/54/216312454.db2.gz NUZPJJBBRGVZCY-HNNXBMFYSA-N 1 0 348.447 2.587 20 5 EFBDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000073052209 216344731 /nfs/dbraw/zinc/34/47/31/216344731.db2.gz YAGHGKKLCADKJS-QGZVFWFLSA-N 1 0 345.399 2.659 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000159148214 239021622 /nfs/dbraw/zinc/02/16/22/239021622.db2.gz WZTAMFVLPDBZKL-INIZCTEOSA-N 1 0 331.347 2.767 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159284067 239024762 /nfs/dbraw/zinc/02/47/62/239024762.db2.gz NUNQCTAGOBNNSX-CYBMUJFWSA-N 1 0 335.404 2.685 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1CO ZINC000191730381 239268114 /nfs/dbraw/zinc/26/81/14/239268114.db2.gz XXVBPIFBQOLWOP-YPMHNXCESA-N 1 0 333.413 2.779 20 5 EFBDRO COc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000024810198 212440795 /nfs/dbraw/zinc/44/07/95/212440795.db2.gz WBRDBBLKCSVUFM-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO COc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000132297738 223317270 /nfs/dbraw/zinc/31/72/70/223317270.db2.gz MMTIEMCEWHAEHF-UHFFFAOYSA-N 1 0 349.431 2.797 20 5 EFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132407588 223328749 /nfs/dbraw/zinc/32/87/49/223328749.db2.gz CZQAMVXLNLSVBQ-FZMZJTMJSA-N 1 0 335.404 2.858 20 5 EFBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000192807679 240065374 /nfs/dbraw/zinc/06/53/74/240065374.db2.gz ZDUPKBTXSACUBX-AWEZNQCLSA-N 1 0 349.431 2.701 20 5 EFBDRO C[NH+](C)CCCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132593615 223346188 /nfs/dbraw/zinc/34/61/88/223346188.db2.gz YBGAPUVHWZRFNT-UHFFFAOYSA-N 1 0 349.431 2.554 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193446418 240168846 /nfs/dbraw/zinc/16/88/46/240168846.db2.gz MBNKWXFWARDEMB-UHFFFAOYSA-N 1 0 335.404 2.596 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000194795288 240180631 /nfs/dbraw/zinc/18/06/31/240180631.db2.gz QCUBHNUHOATCJO-UHFFFAOYSA-N 1 0 349.431 2.522 20 5 EFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193573776 240219136 /nfs/dbraw/zinc/21/91/36/240219136.db2.gz APHLWTKZRMCPSM-GWCFXTLKSA-N 1 0 346.412 2.589 20 5 EFBDRO COc1cccc(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000195325375 240221352 /nfs/dbraw/zinc/22/13/52/240221352.db2.gz CWCJUNVTBBIITK-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1cc(C[NH2+]CC2(SC)CCC2)c([N+](=O)[O-])cc1OC ZINC000193649543 240250809 /nfs/dbraw/zinc/25/08/09/240250809.db2.gz UFUZKWVUQFDGIH-UHFFFAOYSA-N 1 0 326.418 2.987 20 5 EFBDRO C[N@H+](CCSCCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000193636813 240243949 /nfs/dbraw/zinc/24/39/49/240243949.db2.gz RMJSBCFQAKCWOP-UHFFFAOYSA-N 1 0 347.440 2.622 20 5 EFBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000193679813 240264140 /nfs/dbraw/zinc/26/41/40/240264140.db2.gz BMXOWXKZCGHBOI-BZNIZROVSA-N 1 0 345.424 2.938 20 5 EFBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000193700815 240270471 /nfs/dbraw/zinc/27/04/71/240270471.db2.gz KVRMFXVSDWSICS-MEDUHNTESA-N 1 0 345.424 2.938 20 5 EFBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000193700844 240271984 /nfs/dbraw/zinc/27/19/84/240271984.db2.gz KVRMFXVSDWSICS-ZBEGNZNMSA-N 1 0 345.424 2.938 20 5 EFBDRO COc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625107 241032429 /nfs/dbraw/zinc/03/24/29/241032429.db2.gz SYJSCJPMOSPWHZ-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000132899084 223372245 /nfs/dbraw/zinc/37/22/45/223372245.db2.gz HGQVRMXGDUEDFW-DLBZAZTESA-N 1 0 337.395 2.914 20 5 EFBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000229349871 242156845 /nfs/dbraw/zinc/15/68/45/242156845.db2.gz BFHCEGFFCRHDEJ-HZPDHXFCSA-N 1 0 348.403 2.671 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236586425 242290460 /nfs/dbraw/zinc/29/04/60/242290460.db2.gz IJJWLSZSNJJESS-ZYHUDNBSSA-N 1 0 343.811 2.505 20 5 EFBDRO C[C@@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000235381978 242282666 /nfs/dbraw/zinc/28/26/66/242282666.db2.gz DSKBMEISEOQLPQ-GFCCVEGCSA-N 1 0 329.198 2.554 20 5 EFBDRO CC(=O)NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236649360 242306489 /nfs/dbraw/zinc/30/64/89/242306489.db2.gz SUDJLXPDYDCGHH-UHFFFAOYSA-N 1 0 333.413 2.939 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236837548 242376692 /nfs/dbraw/zinc/37/66/92/242376692.db2.gz NAIFOWINTUAXDL-GFCCVEGCSA-N 1 0 343.811 2.507 20 5 EFBDRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236902407 242403990 /nfs/dbraw/zinc/40/39/90/242403990.db2.gz BZHKYEOHXJWYFM-ZYHUDNBSSA-N 1 0 343.811 2.649 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000237810613 242805473 /nfs/dbraw/zinc/80/54/73/242805473.db2.gz PRUGDHMUTXQHPV-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411901776 243021314 /nfs/dbraw/zinc/02/13/14/243021314.db2.gz FTXRPBJXOOJGPM-ZDUSSCGKSA-N 1 0 337.420 2.842 20 5 EFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000411965450 243049112 /nfs/dbraw/zinc/04/91/12/243049112.db2.gz FKCJEIKDEOZQRH-PXAZEXFGSA-N 1 0 335.404 2.635 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412037276 243085185 /nfs/dbraw/zinc/08/51/85/243085185.db2.gz NIRJFWMQWWKDMS-JCGIZDLHSA-N 1 0 343.427 2.831 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412058255 243103589 /nfs/dbraw/zinc/10/35/89/243103589.db2.gz AAOPSCSXGVOAAR-KRWDZBQOSA-N 1 0 336.388 2.769 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412058256 243103859 /nfs/dbraw/zinc/10/38/59/243103859.db2.gz AAOPSCSXGVOAAR-QGZVFWFLSA-N 1 0 336.388 2.769 20 5 EFBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000412064115 243107990 /nfs/dbraw/zinc/10/79/90/243107990.db2.gz BTCSIAGKINJLLZ-ZFWWWQNUSA-N 1 0 345.399 2.885 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412152460 243171115 /nfs/dbraw/zinc/17/11/15/243171115.db2.gz AOGHQBKKUZJEBS-QSPRXWTASA-N 1 0 331.416 2.687 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412307897 243256547 /nfs/dbraw/zinc/25/65/47/243256547.db2.gz SQDIOPJEFCWFOI-HYVNUMGLSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000412392987 243301081 /nfs/dbraw/zinc/30/10/81/243301081.db2.gz COFRFKVEUCCKPV-AQNFWKISSA-N 1 0 326.356 2.717 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412423209 243307696 /nfs/dbraw/zinc/30/76/96/243307696.db2.gz SSPJRMQENWFBNR-AWEZNQCLSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000414244103 244058581 /nfs/dbraw/zinc/05/85/81/244058581.db2.gz ALFRMIKCNGRDHV-LBPRGKRZSA-N 1 0 328.434 2.767 20 5 EFBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414199958 244044406 /nfs/dbraw/zinc/04/44/06/244044406.db2.gz LEURIDJHSNFGDV-KPZWWZAWSA-N 1 0 343.383 2.565 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414288203 244075077 /nfs/dbraw/zinc/07/50/77/244075077.db2.gz UZUIWBKGTZRZTI-RQJABVFESA-N 1 0 335.404 2.715 20 5 EFBDRO Cn1cc(C[N@@H+]2CCCO[C@@H](CF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414479267 244188453 /nfs/dbraw/zinc/18/84/53/244188453.db2.gz RPTVUYKGGZHXEP-INIZCTEOSA-N 1 0 348.378 2.556 20 5 EFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CS1 ZINC000414500698 244196149 /nfs/dbraw/zinc/19/61/49/244196149.db2.gz MGUOMWJLOGLJKV-BXUZGUMPSA-N 1 0 332.429 2.979 20 5 EFBDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414537094 244218296 /nfs/dbraw/zinc/21/82/96/244218296.db2.gz YSAVSXPPDINFEZ-INIZCTEOSA-N 1 0 343.358 2.937 20 5 EFBDRO [NH3+]C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)n2)CCCC1 ZINC000414630300 244261294 /nfs/dbraw/zinc/26/12/94/244261294.db2.gz SYJUFOVLHBSQBF-UHFFFAOYSA-N 1 0 340.343 2.763 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414649117 244273768 /nfs/dbraw/zinc/27/37/68/244273768.db2.gz BYDIJEPDSYYDMW-UHFFFAOYSA-N 1 0 326.400 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000414662640 244282521 /nfs/dbraw/zinc/28/25/21/244282521.db2.gz ZLGBDFGUPPSPJY-CQSZACIVSA-N 1 0 336.392 2.633 20 5 EFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414864764 244374885 /nfs/dbraw/zinc/37/48/85/244374885.db2.gz CEZCNVVNZAQOEO-CQSZACIVSA-N 1 0 331.347 2.978 20 5 EFBDRO COc1ccc(-c2ccc(CN[C@H](C[NH3+])C3CC3)o2)c([N+](=O)[O-])c1 ZINC000414796341 244358890 /nfs/dbraw/zinc/35/88/90/244358890.db2.gz HOKWEYUNYFWDIY-OAHLLOKOSA-N 1 0 331.372 2.690 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414883656 244388833 /nfs/dbraw/zinc/38/88/33/244388833.db2.gz NRZSXOFHETVYMI-OAHLLOKOSA-N 1 0 326.400 2.814 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000415434248 244423774 /nfs/dbraw/zinc/42/37/74/244423774.db2.gz HMEXTDYIJZGYHN-KWQFWETISA-N 1 0 346.309 2.815 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415666432 244444581 /nfs/dbraw/zinc/44/45/81/244444581.db2.gz WWLOMNUCFYWWEX-NSHDSACASA-N 1 0 336.392 2.585 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000415433631 244423016 /nfs/dbraw/zinc/42/30/16/244423016.db2.gz HAAWIHOLZNHXTH-LBPRGKRZSA-N 1 0 346.309 2.815 20 5 EFBDRO Cc1c(CC(=O)N(C)C(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000416105535 244512100 /nfs/dbraw/zinc/51/21/00/244512100.db2.gz LLKMEKVYBVFASU-UHFFFAOYSA-N 1 0 333.432 2.779 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261802105 244687243 /nfs/dbraw/zinc/68/72/43/244687243.db2.gz QZSSLSGRZCUDOA-QAPCUYQASA-N 1 0 339.395 2.718 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339674639 284202106 /nfs/dbraw/zinc/20/21/06/284202106.db2.gz CVGVUKVKRBTWIH-QWHCGFSZSA-N 1 0 329.356 2.698 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418121924 245111820 /nfs/dbraw/zinc/11/18/20/245111820.db2.gz JFEXONKATDNOEC-YNEHKIRRSA-N 1 0 336.388 2.623 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418420743 245151684 /nfs/dbraw/zinc/15/16/84/245151684.db2.gz AGFJUQYECDMBDN-CQSZACIVSA-N 1 0 334.420 2.642 20 5 EFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418341934 245127289 /nfs/dbraw/zinc/12/72/89/245127289.db2.gz IAXPUFRYMANFBD-CQSZACIVSA-N 1 0 346.431 2.659 20 5 EFBDRO C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000418359229 245134500 /nfs/dbraw/zinc/13/45/00/245134500.db2.gz ZSFIGEVVGGCAQV-OLZOCXBDSA-N 1 0 334.420 2.517 20 5 EFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418434771 245157519 /nfs/dbraw/zinc/15/75/19/245157519.db2.gz FPGAIFUXGXJVSW-JKSUJKDBSA-N 1 0 348.447 2.857 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418584282 245201751 /nfs/dbraw/zinc/20/17/51/245201751.db2.gz OEVMNWUBPQFMOE-LSDHHAIUSA-N 1 0 334.420 2.785 20 5 EFBDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000418613394 245213532 /nfs/dbraw/zinc/21/35/32/245213532.db2.gz FKYCUZWKVRDXLS-INIZCTEOSA-N 1 0 346.431 2.786 20 5 EFBDRO O=C(NCCC1=CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418636746 245220313 /nfs/dbraw/zinc/22/03/13/245220313.db2.gz JHWBNBMWDCNLHX-UHFFFAOYSA-N 1 0 344.415 2.579 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418665989 245237356 /nfs/dbraw/zinc/23/73/56/245237356.db2.gz JZGKAWDKWBGNRR-HDJSIYSDSA-N 1 0 348.447 2.894 20 5 EFBDRO CC(C)(NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000418679032 245243231 /nfs/dbraw/zinc/24/32/31/245243231.db2.gz DMWSTRKPFRTWLQ-HDJSIYSDSA-N 1 0 348.447 2.894 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC1(C)C ZINC000419324264 245376959 /nfs/dbraw/zinc/37/69/59/245376959.db2.gz VKYFOXIXLNZGSP-CHWSQXEVSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419377623 245393947 /nfs/dbraw/zinc/39/39/47/245393947.db2.gz UZEZGLJBLXAYMN-RWMBFGLXSA-N 1 0 335.404 2.908 20 5 EFBDRO C[C@@H]1[C@H](C)C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000419373413 245394613 /nfs/dbraw/zinc/39/46/13/245394613.db2.gz ODDPDICFLBYHMY-UPJWGTAASA-N 1 0 333.388 2.869 20 5 EFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078543368 217071906 /nfs/dbraw/zinc/07/19/06/217071906.db2.gz HJQILGYYBAYNBM-NSHDSACASA-N 1 0 346.353 2.661 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415506774 284315841 /nfs/dbraw/zinc/31/58/41/284315841.db2.gz RYWNJSLPOMEKMU-CJNGLKHVSA-N 1 0 332.404 2.981 20 5 EFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000111273932 220131237 /nfs/dbraw/zinc/13/12/37/220131237.db2.gz XUDBRRYIZXEWBM-GXTWGEPZSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(CNCC2([NH+]3CCCCC3)CCOCC2)cs1 ZINC000111403468 220151495 /nfs/dbraw/zinc/15/14/95/220151495.db2.gz UIHFZDFNGOMGRA-UHFFFAOYSA-N 1 0 339.461 2.781 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363369204 296210185 /nfs/dbraw/zinc/21/01/85/296210185.db2.gz IATQZYNKZCUFMY-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704576 246068378 /nfs/dbraw/zinc/06/83/78/246068378.db2.gz PGZCSAPYUNENHU-JSGCOSHPSA-N 1 0 337.445 2.628 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421709632 246073703 /nfs/dbraw/zinc/07/37/03/246073703.db2.gz GFLMJKFXUBEUKU-LLVKDONJSA-N 1 0 345.321 2.780 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421709828 246074729 /nfs/dbraw/zinc/07/47/29/246074729.db2.gz HJBJIEFERKZFHO-CYBMUJFWSA-N 1 0 337.445 2.873 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421864073 246144077 /nfs/dbraw/zinc/14/40/77/246144077.db2.gz XJHUWCITUACOKK-JDFRZJQESA-N 1 0 331.416 2.854 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422760600 246450506 /nfs/dbraw/zinc/45/05/06/246450506.db2.gz QINAABLQLXBOBC-RYUDHWBXSA-N 1 0 337.445 2.825 20 5 EFBDRO CC(C)c1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000422899178 246504925 /nfs/dbraw/zinc/50/49/25/246504925.db2.gz GWVVZMYDZCBQPX-UHFFFAOYSA-N 1 0 349.431 2.688 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264442437 246506653 /nfs/dbraw/zinc/50/66/53/246506653.db2.gz FCIXOVMRFBEZPA-CQSZACIVSA-N 1 0 348.403 2.696 20 5 EFBDRO O=C(C[C@@H]1CCC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717710 246656198 /nfs/dbraw/zinc/65/61/98/246656198.db2.gz BAHMTFFUNYEXFY-CQSZACIVSA-N 1 0 331.416 2.866 20 5 EFBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCCC1 ZINC000264691267 246788732 /nfs/dbraw/zinc/78/87/32/246788732.db2.gz YHZPKFXLIGQIPY-UHFFFAOYSA-N 1 0 349.431 2.746 20 5 EFBDRO CCN(CCC[NH+](C)C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000425253329 247016372 /nfs/dbraw/zinc/01/63/72/247016372.db2.gz JCPJTBUBHUWLEK-UHFFFAOYSA-N 1 0 336.436 2.511 20 5 EFBDRO CC(C)[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425380997 247064926 /nfs/dbraw/zinc/06/49/26/247064926.db2.gz DYBJPARCBKFWSL-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000412040920 284524928 /nfs/dbraw/zinc/52/49/28/284524928.db2.gz LBNLVHLUUCZLID-OKZBNKHCSA-N 1 0 343.427 2.785 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429814 247082497 /nfs/dbraw/zinc/08/24/97/247082497.db2.gz BDQBAJNRQYTXJD-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000264957295 247085641 /nfs/dbraw/zinc/08/56/41/247085641.db2.gz YZWMXUYFUNNDIU-NEPJUHHUSA-N 1 0 325.434 2.532 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000425468846 247096336 /nfs/dbraw/zinc/09/63/36/247096336.db2.gz DAALANKSJKDZQR-ZWNOBZJWSA-N 1 0 343.221 2.998 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264997024 247122000 /nfs/dbraw/zinc/12/20/00/247122000.db2.gz CYDKYLPNYNNHIF-KGLIPLIRSA-N 1 0 334.420 2.650 20 5 EFBDRO C[C@H](NCc1cc(C2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000425897392 247208796 /nfs/dbraw/zinc/20/87/96/247208796.db2.gz UAIKNOJPYBBABM-LBPRGKRZSA-N 1 0 330.388 2.901 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426248708 247254016 /nfs/dbraw/zinc/25/40/16/247254016.db2.gz NAYDIBFNNPOWFR-KCPJHIHWSA-N 1 0 346.387 2.941 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426475885 247285833 /nfs/dbraw/zinc/28/58/33/247285833.db2.gz ZWYGDGBMAOBGIP-GXTWGEPZSA-N 1 0 331.372 2.767 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426491641 247287889 /nfs/dbraw/zinc/28/78/89/247287889.db2.gz IOEHPNDRCFVBAZ-WFASDCNBSA-N 1 0 333.388 2.806 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000427591772 247368074 /nfs/dbraw/zinc/36/80/74/247368074.db2.gz AKZKFRWYICTIBD-OAHLLOKOSA-N 1 0 337.420 2.700 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000265309255 247390982 /nfs/dbraw/zinc/39/09/82/247390982.db2.gz ISDGACJXELQLCQ-GJZGRUSLSA-N 1 0 337.807 2.534 20 5 EFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428542748 247498551 /nfs/dbraw/zinc/49/85/51/247498551.db2.gz YFNKFXPMMMOIOL-ZWKOTPCHSA-N 1 0 330.359 2.990 20 5 EFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000429505312 247645074 /nfs/dbraw/zinc/64/50/74/247645074.db2.gz TZNXHSAYTZTSCK-ZDUSSCGKSA-N 1 0 343.383 2.700 20 5 EFBDRO CC(C)(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000430707071 247827862 /nfs/dbraw/zinc/82/78/62/247827862.db2.gz OXUGQPKEBXUNQM-HNNXBMFYSA-N 1 0 333.432 2.767 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000266008522 248024181 /nfs/dbraw/zinc/02/41/81/248024181.db2.gz MXFKWZIUHINNJF-KBPBESRZSA-N 1 0 337.420 2.652 20 5 EFBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000266008524 248024534 /nfs/dbraw/zinc/02/45/34/248024534.db2.gz MXFKWZIUHINNJF-ZIAGYGMSSA-N 1 0 337.420 2.652 20 5 EFBDRO Cc1c(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000433905066 248101272 /nfs/dbraw/zinc/10/12/72/248101272.db2.gz BDCRMMJKLCZRJB-MRXNPFEDSA-N 1 0 346.431 2.719 20 5 EFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433811942 248091388 /nfs/dbraw/zinc/09/13/88/248091388.db2.gz MHWNUJAJKKUFRU-HNNXBMFYSA-N 1 0 326.400 2.994 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266051205 248063181 /nfs/dbraw/zinc/06/31/81/248063181.db2.gz AROVHTNVLBYXHD-UHFFFAOYSA-N 1 0 333.432 2.860 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)cc1OC(F)F ZINC000266163386 248141996 /nfs/dbraw/zinc/14/19/96/248141996.db2.gz XINDBYSKEKIWKQ-UHFFFAOYSA-N 1 0 327.331 2.728 20 5 EFBDRO COc1cc(C[NH+]2CCC(n3ccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000434500979 248160813 /nfs/dbraw/zinc/16/08/13/248160813.db2.gz FEVVHSLXDURGJV-UHFFFAOYSA-N 1 0 330.388 2.945 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433953725 248107506 /nfs/dbraw/zinc/10/75/06/248107506.db2.gz LWBHPKAPEDOUSC-INIZCTEOSA-N 1 0 346.431 2.753 20 5 EFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000266121933 248111485 /nfs/dbraw/zinc/11/14/85/248111485.db2.gz AFXOHIBYAPQZJR-HOTGVXAUSA-N 1 0 348.399 2.899 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266288517 248226430 /nfs/dbraw/zinc/22/64/30/248226430.db2.gz DBUDSGZGQCSPRG-AWEZNQCLSA-N 1 0 331.372 2.897 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000266292588 248229233 /nfs/dbraw/zinc/22/92/33/248229233.db2.gz KGTRMOALSJVZIG-OUAUKWLOSA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372763 248233266 /nfs/dbraw/zinc/23/32/66/248233266.db2.gz SKKOVKIOBRSZRQ-NEPJUHHUSA-N 1 0 332.429 2.887 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000266323643 248247978 /nfs/dbraw/zinc/24/79/78/248247978.db2.gz UHCSHGIBIXDFPF-OAHLLOKOSA-N 1 0 349.431 2.554 20 5 EFBDRO CN(C)C(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266506348 248335524 /nfs/dbraw/zinc/33/55/24/248335524.db2.gz WSFUILAEJDYFFV-QGZVFWFLSA-N 1 0 327.384 2.556 20 5 EFBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266498380 248331846 /nfs/dbraw/zinc/33/18/46/248331846.db2.gz WSLIHAAACWMNNJ-HUUCEWRRSA-N 1 0 338.795 2.547 20 5 EFBDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266531640 248348457 /nfs/dbraw/zinc/34/84/57/248348457.db2.gz MIPQCJZAVOPPCU-SJORKVTESA-N 1 0 332.404 2.625 20 5 EFBDRO C[NH+]1CCC(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000436337379 249501304 /nfs/dbraw/zinc/50/13/04/249501304.db2.gz BUWVKBIPAKDWQR-UHFFFAOYSA-N 1 0 349.434 2.753 20 5 EFBDRO CO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091772230 218063298 /nfs/dbraw/zinc/06/32/98/218063298.db2.gz QEJVXORQTOUWJH-MRXNPFEDSA-N 1 0 330.388 2.606 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000091991193 218100580 /nfs/dbraw/zinc/10/05/80/218100580.db2.gz LBIJRZGYCXMAJF-LSDHHAIUSA-N 1 0 331.416 2.829 20 5 EFBDRO CSc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000010626960 211183080 /nfs/dbraw/zinc/18/30/80/211183080.db2.gz DCJKKMWMOQAFBU-UHFFFAOYSA-N 1 0 337.445 2.919 20 5 EFBDRO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092380292 218138252 /nfs/dbraw/zinc/13/82/52/218138252.db2.gz FDHWKKGAFUCUEB-UHFFFAOYSA-N 1 0 332.303 2.581 20 5 EFBDRO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010442636 211172567 /nfs/dbraw/zinc/17/25/67/211172567.db2.gz LABJGTIDQZMSRV-INIZCTEOSA-N 1 0 343.383 2.636 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000442510011 250085811 /nfs/dbraw/zinc/08/58/11/250085811.db2.gz GBTHYVLTPQLBJB-INIZCTEOSA-N 1 0 349.456 2.678 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092938872 218182007 /nfs/dbraw/zinc/18/20/07/218182007.db2.gz UMYOZGZTUHZKPP-ZDUSSCGKSA-N 1 0 329.347 2.722 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093419176 218224743 /nfs/dbraw/zinc/22/47/43/218224743.db2.gz SLKFRDJEOFOIJA-ZDUSSCGKSA-N 1 0 338.404 2.861 20 5 EFBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434344 218226171 /nfs/dbraw/zinc/22/61/71/218226171.db2.gz OYTFNQJALNURPF-VIFPVBQESA-N 1 0 329.198 2.554 20 5 EFBDRO CCOC(=O)c1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000443448603 250196079 /nfs/dbraw/zinc/19/60/79/250196079.db2.gz UNGUICHQOWRELL-ZDUSSCGKSA-N 1 0 335.404 2.915 20 5 EFBDRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534619 218230583 /nfs/dbraw/zinc/23/05/83/218230583.db2.gz JXMNYVIUXMSVBV-CYBMUJFWSA-N 1 0 344.419 2.697 20 5 EFBDRO CCC(CC)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OC ZINC000444656741 250324054 /nfs/dbraw/zinc/32/40/54/250324054.db2.gz HVNUDQUQKBXWPN-UHFFFAOYSA-N 1 0 334.376 2.540 20 5 EFBDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000444771654 250343931 /nfs/dbraw/zinc/34/39/31/250343931.db2.gz KGPXDOLEHLDKKV-OAHLLOKOSA-N 1 0 331.416 2.852 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)nc2c1 ZINC000444685647 250328691 /nfs/dbraw/zinc/32/86/91/250328691.db2.gz OWKJZKDMMMIMNU-GOEBONIOSA-N 1 0 340.387 2.941 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)CC3CCCCC3)nc2c1 ZINC000444689353 250329061 /nfs/dbraw/zinc/32/90/61/250329061.db2.gz NAWVAZRMXYLKQN-UHFFFAOYSA-N 1 0 332.404 2.846 20 5 EFBDRO CC1(C)CCC(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000095428453 218370626 /nfs/dbraw/zinc/37/06/26/218370626.db2.gz TUVREBLQPUIFKD-SJORKVTESA-N 1 0 336.432 2.795 20 5 EFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267257220 250879201 /nfs/dbraw/zinc/87/92/01/250879201.db2.gz VURFSHBHVNWTPV-GFCCVEGCSA-N 1 0 336.392 2.694 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000449089275 250912614 /nfs/dbraw/zinc/91/26/14/250912614.db2.gz JROGJUFDECEBHZ-CHWSQXEVSA-N 1 0 345.365 3.000 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000449177425 250942119 /nfs/dbraw/zinc/94/21/19/250942119.db2.gz VKSYRQKXJPAKRD-ZBFHGGJFSA-N 1 0 343.431 2.518 20 5 EFBDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000449188046 250946235 /nfs/dbraw/zinc/94/62/35/250946235.db2.gz NCFBJXPRRBYQJJ-FRFSOERESA-N 1 0 344.415 2.558 20 5 EFBDRO CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449267088 250976159 /nfs/dbraw/zinc/97/61/59/250976159.db2.gz YHIRSWTYMIBVOZ-MZMPZRCHSA-N 1 0 336.432 2.682 20 5 EFBDRO COc1nccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373557 251001246 /nfs/dbraw/zinc/00/12/46/251001246.db2.gz RYORVFKZNFDYOU-BBRMVZONSA-N 1 0 342.399 2.894 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449402063 251015164 /nfs/dbraw/zinc/01/51/64/251015164.db2.gz JMIORBYAABTKHF-HEHGZKQESA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000449480203 251040705 /nfs/dbraw/zinc/04/07/05/251040705.db2.gz XUVAETWZXSDQBP-QGZVFWFLSA-N 1 0 332.404 2.900 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000267434005 251054103 /nfs/dbraw/zinc/05/41/03/251054103.db2.gz HNEKAFXALSAFPJ-NEPJUHHUSA-N 1 0 349.412 2.654 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449477932 251041429 /nfs/dbraw/zinc/04/14/29/251041429.db2.gz XLWKEVFMOQSBCZ-BBWFWOEESA-N 1 0 348.399 2.587 20 5 EFBDRO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449503090 251044767 /nfs/dbraw/zinc/04/47/67/251044767.db2.gz XHNIWXKDHDWMQR-WBMJQRKESA-N 1 0 336.388 2.708 20 5 EFBDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000267424112 251045211 /nfs/dbraw/zinc/04/52/11/251045211.db2.gz LCTQRDOTDFIJFC-CJNGLKHVSA-N 1 0 337.420 2.567 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449566467 251067904 /nfs/dbraw/zinc/06/79/04/251067904.db2.gz OLSXQVYNWVNDQC-JTQLQIEISA-N 1 0 334.401 2.576 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449569089 251069632 /nfs/dbraw/zinc/06/96/32/251069632.db2.gz GDWVNVHNMIGBAL-XUJVJEKNSA-N 1 0 343.387 2.804 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449574279 251070223 /nfs/dbraw/zinc/07/02/23/251070223.db2.gz UIJSIHMHOSDARS-XUJVJEKNSA-N 1 0 343.387 2.804 20 5 EFBDRO [NH3+]CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)F ZINC000449611966 251081728 /nfs/dbraw/zinc/08/17/28/251081728.db2.gz ZYSMKLVSAPRABZ-SECBINFHSA-N 1 0 329.328 2.522 20 5 EFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449624932 251084234 /nfs/dbraw/zinc/08/42/34/251084234.db2.gz AFTBKPVCKVWVPW-PEBVRCNWSA-N 1 0 335.404 2.715 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449690674 251118362 /nfs/dbraw/zinc/11/83/62/251118362.db2.gz QVIYNJUVFQCYMJ-KGLIPLIRSA-N 1 0 349.456 2.535 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449690673 251118658 /nfs/dbraw/zinc/11/86/58/251118658.db2.gz QVIYNJUVFQCYMJ-KBPBESRZSA-N 1 0 349.456 2.535 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449696714 251120251 /nfs/dbraw/zinc/12/02/51/251120251.db2.gz KYRDIGFAYOZJDS-BXUZGUMPSA-N 1 0 337.445 2.580 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449743666 251137112 /nfs/dbraw/zinc/13/71/12/251137112.db2.gz AENIOOUBTOYTAR-NEPJUHHUSA-N 1 0 329.356 2.598 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCCC1(C)C ZINC000449784665 251153994 /nfs/dbraw/zinc/15/39/94/251153994.db2.gz XZTKMYVCDNOFIB-AWEZNQCLSA-N 1 0 348.447 2.776 20 5 EFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449768974 251150418 /nfs/dbraw/zinc/15/04/18/251150418.db2.gz GJWVFJANOCVJDS-KAUISWQESA-N 1 0 342.399 2.851 20 5 EFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449746994 251137698 /nfs/dbraw/zinc/13/76/98/251137698.db2.gz VBFVXUNKUYAUMW-OLZOCXBDSA-N 1 0 329.356 2.598 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCC1(C)C ZINC000449784215 251155342 /nfs/dbraw/zinc/15/53/42/251155342.db2.gz VZYHGTVOQOZMTQ-AWEZNQCLSA-N 1 0 348.447 2.776 20 5 EFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000449942139 251207148 /nfs/dbraw/zinc/20/71/48/251207148.db2.gz RVYXYIHVGROIBC-ONGXEEELSA-N 1 0 345.321 2.826 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000267722299 251286527 /nfs/dbraw/zinc/28/65/27/251286527.db2.gz MDRXCMLQFZJEOM-BPUTZDHNSA-N 1 0 346.431 2.890 20 5 EFBDRO COC(=O)Cc1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000450314275 251342532 /nfs/dbraw/zinc/34/25/32/251342532.db2.gz UFLIEGQUAMDWHF-UHFFFAOYSA-N 1 0 335.404 2.597 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450330776 251348973 /nfs/dbraw/zinc/34/89/73/251348973.db2.gz PRFLBOQBUGZRIN-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO Cc1nc(N(CC[NH+]2CCCCCC2)C2CCC2)ncc1[N+](=O)[O-] ZINC000450536778 251409999 /nfs/dbraw/zinc/40/99/99/251409999.db2.gz BKSANAJVPOMDRW-UHFFFAOYSA-N 1 0 333.436 2.928 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451490338 251582065 /nfs/dbraw/zinc/58/20/65/251582065.db2.gz HVCVQWHDHKCHEX-LSDHHAIUSA-N 1 0 335.404 2.635 20 5 EFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451490469 251582700 /nfs/dbraw/zinc/58/27/00/251582700.db2.gz IBNDXISRDBHVHD-STQMWFEESA-N 1 0 341.795 2.590 20 5 EFBDRO CC1(C)[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OCc1ccccc1 ZINC000451491662 251582771 /nfs/dbraw/zinc/58/27/71/251582771.db2.gz HVNUYYSADMYRPA-HOTGVXAUSA-N 1 0 344.415 2.765 20 5 EFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451781241 251685188 /nfs/dbraw/zinc/68/51/88/251685188.db2.gz IIDKHDVAWDUXHN-YPMHNXCESA-N 1 0 340.351 2.564 20 5 EFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)(C)O ZINC000268542956 252010300 /nfs/dbraw/zinc/01/03/00/252010300.db2.gz LDKNNBAFKVFESQ-UHFFFAOYSA-N 1 0 337.420 2.715 20 5 EFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453297837 252031076 /nfs/dbraw/zinc/03/10/76/252031076.db2.gz SGRIBJZMRXPKTJ-SOLBZPMBSA-N 1 0 334.416 2.557 20 5 EFBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000268585455 252045037 /nfs/dbraw/zinc/04/50/37/252045037.db2.gz SPOPUBGXHDOAID-WMZOPIPTSA-N 1 0 344.415 2.606 20 5 EFBDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000453627734 252056325 /nfs/dbraw/zinc/05/63/25/252056325.db2.gz MRNFECLQLDPAGB-KRWDZBQOSA-N 1 0 344.411 2.913 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454130954 252149564 /nfs/dbraw/zinc/14/95/64/252149564.db2.gz IIDUWXXKRHHLDB-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000376156012 285098944 /nfs/dbraw/zinc/09/89/44/285098944.db2.gz GIKMYYRKQMDRMA-NSHDSACASA-N 1 0 333.417 2.664 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000097010401 218913497 /nfs/dbraw/zinc/91/34/97/218913497.db2.gz IBZSEVNNWWUAKP-XJKSGUPXSA-N 1 0 334.420 2.782 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000097010405 218913626 /nfs/dbraw/zinc/91/36/26/218913626.db2.gz IBZSEVNNWWUAKP-BBRMVZONSA-N 1 0 334.420 2.782 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000268807271 285109819 /nfs/dbraw/zinc/10/98/19/285109819.db2.gz LCEXQGHYUZDVGS-LBPRGKRZSA-N 1 0 338.205 2.808 20 5 EFBDRO COCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000112354126 220310910 /nfs/dbraw/zinc/31/09/10/220310910.db2.gz RUSMURDUIGIXDN-UHFFFAOYSA-N 1 0 335.404 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161917352 285128903 /nfs/dbraw/zinc/12/89/03/285128903.db2.gz NCEJMPUGHLYFNP-IUODEOHRSA-N 1 0 346.387 2.956 20 5 EFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153536941 224119581 /nfs/dbraw/zinc/11/95/81/224119581.db2.gz ASGIUAVXHMFAMR-DOTOQJQBSA-N 1 0 343.427 2.613 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000420266301 285130840 /nfs/dbraw/zinc/13/08/40/285130840.db2.gz VQLYDFLLWURLBM-UONOGXRCSA-N 1 0 342.374 2.842 20 5 EFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131057136 533084994 /nfs/dbraw/zinc/08/49/94/533084994.db2.gz VFSAHLYBZYYSCW-SGTLLEGYSA-N 1 0 346.383 2.996 20 5 EFBDRO COc1ccc([C@H](CO)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000112622798 220357558 /nfs/dbraw/zinc/35/75/58/220357558.db2.gz UMVNVYUCHSBKMT-SFHVURJKSA-N 1 0 346.383 2.648 20 5 EFBDRO COc1ccc([C@@H](CO)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000112622801 220357940 /nfs/dbraw/zinc/35/79/40/220357940.db2.gz UMVNVYUCHSBKMT-GOSISDBHSA-N 1 0 346.383 2.648 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CCO)CCCC2)n1 ZINC000447561284 285169170 /nfs/dbraw/zinc/16/91/70/285169170.db2.gz HIJYFIVTJCMXNI-CABCVRRESA-N 1 0 336.436 2.807 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(C(F)(F)F)c1 ZINC000413203430 285172416 /nfs/dbraw/zinc/17/24/16/285172416.db2.gz VZYXRZSSLFGVKU-UHFFFAOYSA-N 1 0 330.310 2.729 20 5 EFBDRO COCC1=CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187619976 533159381 /nfs/dbraw/zinc/15/93/81/533159381.db2.gz MHJFNMRFYUYFOD-UHFFFAOYSA-N 1 0 342.399 2.774 20 5 EFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000269109862 255530164 /nfs/dbraw/zinc/53/01/64/255530164.db2.gz DPXMHKCOZCBRHI-OAHLLOKOSA-N 1 0 340.383 2.772 20 5 EFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269195136 255542931 /nfs/dbraw/zinc/54/29/31/255542931.db2.gz PTHULUBNYPBXSQ-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000457024684 255672070 /nfs/dbraw/zinc/67/20/70/255672070.db2.gz HJNODLHMBZZOSO-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCCCC2)C1 ZINC000457687704 255709436 /nfs/dbraw/zinc/70/94/36/255709436.db2.gz MAGBEURUZXIENP-UHFFFAOYSA-N 1 0 331.416 2.518 20 5 EFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000457209800 255682945 /nfs/dbraw/zinc/68/29/45/255682945.db2.gz PBOQKNQKBGPUSB-UHFFFAOYSA-N 1 0 333.310 2.684 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186829818 533218749 /nfs/dbraw/zinc/21/87/49/533218749.db2.gz ITEQOBHAKLXDRI-UHFFFAOYSA-N 1 0 338.429 2.701 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183820728 533219147 /nfs/dbraw/zinc/21/91/47/533219147.db2.gz ACEFFLYAEWHNDQ-AWEZNQCLSA-N 1 0 336.388 2.578 20 5 EFBDRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117745724 221085412 /nfs/dbraw/zinc/08/54/12/221085412.db2.gz PIRXOWOIVOJDJB-UHFFFAOYSA-N 1 0 339.823 2.780 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000468746279 256018299 /nfs/dbraw/zinc/01/82/99/256018299.db2.gz FZUTVWHCBRWHQD-XETPBLJFSA-N 1 0 331.416 2.987 20 5 EFBDRO CC[N@@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000118826074 221190500 /nfs/dbraw/zinc/19/05/00/221190500.db2.gz PRXZZSARRRVWLW-ZDUSSCGKSA-N 1 0 345.403 2.733 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccnc1 ZINC000181665590 533223904 /nfs/dbraw/zinc/22/39/04/533223904.db2.gz NGOVFWVPSPJYRM-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119706609 221382682 /nfs/dbraw/zinc/38/26/82/221382682.db2.gz OWIOWVROXLOHJU-CQSZACIVSA-N 1 0 344.415 2.854 20 5 EFBDRO Cc1cccn2cc(Cn3cc(Br)c([N+](=O)[O-])n3)nc12 ZINC000069775312 258063645 /nfs/dbraw/zinc/06/36/45/258063645.db2.gz WPTPHOHIPCJJMC-UHFFFAOYSA-N 1 0 336.149 2.558 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000344862877 533384353 /nfs/dbraw/zinc/38/43/53/533384353.db2.gz KWIAQHGXLOOASY-QCSNOBLSSA-N 1 0 332.400 2.926 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000344862879 533384761 /nfs/dbraw/zinc/38/47/61/533384761.db2.gz KWIAQHGXLOOASY-WPZHGYICSA-N 1 0 332.400 2.926 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344877049 533384851 /nfs/dbraw/zinc/38/48/51/533384851.db2.gz PAXWQHYXOJLHOD-JYRVWZFOSA-N 1 0 325.368 2.887 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCOCC1(C)C ZINC000344788774 533408810 /nfs/dbraw/zinc/40/88/10/533408810.db2.gz FTQDUGLTYNTIPN-RVDMUPIBSA-N 1 0 333.432 2.699 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183577 533606261 /nfs/dbraw/zinc/60/62/61/533606261.db2.gz DIYOVMYVOKMHJF-LSDHHAIUSA-N 1 0 346.431 2.783 20 5 EFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420283057 296519038 /nfs/dbraw/zinc/51/90/38/296519038.db2.gz XDEPCBGJFWPEIC-WDEREUQCSA-N 1 0 344.337 2.835 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000326802780 141503414 /nfs/dbraw/zinc/50/34/14/141503414.db2.gz BQRMAZQJBKHHRP-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338602115 141649093 /nfs/dbraw/zinc/64/90/93/141649093.db2.gz GZKSGUJINDEIMP-UHFFFAOYSA-N 1 0 345.321 2.829 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000340450584 141801625 /nfs/dbraw/zinc/80/16/25/141801625.db2.gz UVLUYYMBLQCHJD-NWDGAFQWSA-N 1 0 344.371 2.763 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000343437767 141997618 /nfs/dbraw/zinc/99/76/18/141997618.db2.gz DKOJTZVVTXVKRC-NSHDSACASA-N 1 0 325.434 2.777 20 5 EFBDRO Cn1cc(C[N@H+](C)CC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343478475 142005528 /nfs/dbraw/zinc/00/55/28/142005528.db2.gz XPGJMLATTNMCQK-QGZVFWFLSA-N 1 0 344.415 2.996 20 5 EFBDRO Cn1cc(C[N@H+](C)CC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343478473 142005616 /nfs/dbraw/zinc/00/56/16/142005616.db2.gz XPGJMLATTNMCQK-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344466740 142022421 /nfs/dbraw/zinc/02/24/21/142022421.db2.gz SNZXZCKVPIOMFB-BETUJISGSA-N 1 0 337.445 2.628 20 5 EFBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000344475839 142024071 /nfs/dbraw/zinc/02/40/71/142024071.db2.gz RAWBYLONCZZGGR-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344487102 142025989 /nfs/dbraw/zinc/02/59/89/142025989.db2.gz UNGBAMPMAYFOCT-HKCMKHECSA-N 1 0 335.404 2.571 20 5 EFBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000344610497 142048754 /nfs/dbraw/zinc/04/87/54/142048754.db2.gz KWVXNNCFJSFLOK-CQSZACIVSA-N 1 0 329.356 2.565 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000344693318 142062025 /nfs/dbraw/zinc/06/20/25/142062025.db2.gz RXTXHPSZIYEXQY-INIZCTEOSA-N 1 0 348.447 2.633 20 5 EFBDRO COCCN1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344838141 142085744 /nfs/dbraw/zinc/08/57/44/142085744.db2.gz CBLIEAFOQYYWDH-NTCAYCPXSA-N 1 0 333.432 2.699 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000344857120 142087841 /nfs/dbraw/zinc/08/78/41/142087841.db2.gz LNNSRSONNUXMRX-PTNGSMBKSA-N 1 0 333.432 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000344907944 142096096 /nfs/dbraw/zinc/09/60/96/142096096.db2.gz XWCICNZUVXTQQP-OICCZTGUSA-N 1 0 332.400 2.926 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344932981 142099614 /nfs/dbraw/zinc/09/96/14/142099614.db2.gz DGFCQSBYRZNNTN-CYBMUJFWSA-N 1 0 334.420 2.561 20 5 EFBDRO Cc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000346135959 142152580 /nfs/dbraw/zinc/15/25/80/142152580.db2.gz LHRPWAKAVMLNLV-DUVNUKRYSA-N 1 0 331.416 2.706 20 5 EFBDRO Cc1c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346136834 142153021 /nfs/dbraw/zinc/15/30/21/142153021.db2.gz LRTYMUBYZNJCBH-GDZNZVCISA-N 1 0 331.416 2.706 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346151574 142155897 /nfs/dbraw/zinc/15/58/97/142155897.db2.gz ZEVFWSMVBNRACT-HUBLWGQQSA-N 1 0 335.379 2.536 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000346221976 142170530 /nfs/dbraw/zinc/17/05/30/142170530.db2.gz LAHPAPOOLPLSSH-QWQRMKEZSA-N 1 0 345.443 2.634 20 5 EFBDRO Cc1c(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000346246707 142176112 /nfs/dbraw/zinc/17/61/12/142176112.db2.gz MPPVHTBAINASKL-BBRMVZONSA-N 1 0 346.431 2.671 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346324442 142190032 /nfs/dbraw/zinc/19/00/32/142190032.db2.gz LQRQECQSZUFLKV-NSHDSACASA-N 1 0 348.428 2.788 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346331706 142190584 /nfs/dbraw/zinc/19/05/84/142190584.db2.gz WSGQEHWFAIFOPK-VQIMIIECSA-N 1 0 345.443 2.718 20 5 EFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347484588 142224326 /nfs/dbraw/zinc/22/43/26/142224326.db2.gz WNXXWZVGWLFOBA-CVEARBPZSA-N 1 0 344.415 2.969 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347674695 142254874 /nfs/dbraw/zinc/25/48/74/142254874.db2.gz UXGHUPHMWFMRTN-HNNXBMFYSA-N 1 0 349.431 2.732 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347931978 142295446 /nfs/dbraw/zinc/29/54/46/142295446.db2.gz CVWJVFHOGIMRTB-ZDUSSCGKSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000348070474 142316686 /nfs/dbraw/zinc/31/66/86/142316686.db2.gz IRGJFYITHWDJMV-UHFFFAOYSA-N 1 0 331.372 2.899 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000349994598 142388418 /nfs/dbraw/zinc/38/84/18/142388418.db2.gz VLAAKQKYOLNBHA-CYBMUJFWSA-N 1 0 339.461 2.924 20 5 EFBDRO CCOC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797339 142554438 /nfs/dbraw/zinc/55/44/38/142554438.db2.gz QBQFLCFKZNEPRU-ROUUACIJSA-N 1 0 330.384 2.671 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000341222777 145016132 /nfs/dbraw/zinc/01/61/32/145016132.db2.gz SGSWDXGWCMWNLS-GFCCVEGCSA-N 1 0 329.356 2.893 20 5 EFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000341222778 145016296 /nfs/dbraw/zinc/01/62/96/145016296.db2.gz SGSWDXGWCMWNLS-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000341259630 145022018 /nfs/dbraw/zinc/02/20/18/145022018.db2.gz CLTYUEJOOASQCZ-NSHDSACASA-N 1 0 325.434 2.634 20 5 EFBDRO C[N@H+](CCCNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000341348310 145037334 /nfs/dbraw/zinc/03/73/34/145037334.db2.gz AWZCGMBZECNCQH-UHFFFAOYSA-N 1 0 342.399 2.628 20 5 EFBDRO NC(=O)c1cccc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000342220904 145082745 /nfs/dbraw/zinc/08/27/45/145082745.db2.gz JCDKCUULZVJDSD-UHFFFAOYSA-N 1 0 334.420 2.762 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000342345376 145105437 /nfs/dbraw/zinc/10/54/37/145105437.db2.gz GQISZGCTELNIGD-QWRGUYRKSA-N 1 0 335.433 2.909 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000342422570 145122451 /nfs/dbraw/zinc/12/24/51/145122451.db2.gz QKOCRUZQUDRIHE-QWHCGFSZSA-N 1 0 337.445 2.676 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000342440951 145126931 /nfs/dbraw/zinc/12/69/31/145126931.db2.gz LIVZRJNJOUMIQV-BBWFWOEESA-N 1 0 331.416 2.640 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000342745320 145183753 /nfs/dbraw/zinc/18/37/53/145183753.db2.gz ZHQGNFZMQRKXBA-HNNXBMFYSA-N 1 0 346.358 2.753 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342773400 145189104 /nfs/dbraw/zinc/18/91/04/145189104.db2.gz BNJYTXQZVYKSCT-ZDUSSCGKSA-N 1 0 334.420 2.616 20 5 EFBDRO Cc1cnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000342798389 145195584 /nfs/dbraw/zinc/19/55/84/145195584.db2.gz IXAJMVZXDRMBEK-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000342801298 145196695 /nfs/dbraw/zinc/19/66/95/145196695.db2.gz WUZKIAZHNUDSEI-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000342808259 145198493 /nfs/dbraw/zinc/19/84/93/145198493.db2.gz AVGQXJCLJGYNJF-BQFCYCMXSA-N 1 0 343.427 2.964 20 5 EFBDRO CC[NH+]1CCC(N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342879799 145214107 /nfs/dbraw/zinc/21/41/07/145214107.db2.gz DLRLTTWVOXKBMO-UHFFFAOYSA-N 1 0 330.388 2.632 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCC(C)CC1 ZINC000342899447 145217925 /nfs/dbraw/zinc/21/79/25/145217925.db2.gz HDXCQPWQFFHGNH-ZDUSSCGKSA-N 1 0 344.415 2.926 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCC1 ZINC000342912314 145219910 /nfs/dbraw/zinc/21/99/10/145219910.db2.gz CCCRTHKSQOEHLV-UHFFFAOYSA-N 1 0 330.388 2.680 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342918230 145221430 /nfs/dbraw/zinc/22/14/30/145221430.db2.gz YVWLAEZFYSJVTK-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000343571734 145240875 /nfs/dbraw/zinc/24/08/75/145240875.db2.gz JMUHKGRZWMEOPC-JKSUJKDBSA-N 1 0 328.368 2.782 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000343587652 145246463 /nfs/dbraw/zinc/24/64/63/145246463.db2.gz FGFJTUDQVSLKGH-INIZCTEOSA-N 1 0 333.432 2.863 20 5 EFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC[N@@H+]1C ZINC000343610183 145251593 /nfs/dbraw/zinc/25/15/93/145251593.db2.gz STSKYMHKJUPXOF-CJNGLKHVSA-N 1 0 346.431 2.725 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000343620343 145254120 /nfs/dbraw/zinc/25/41/20/145254120.db2.gz HAQAEOMBZYNISZ-INIZCTEOSA-N 1 0 344.415 2.540 20 5 EFBDRO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000343622020 145254918 /nfs/dbraw/zinc/25/49/18/145254918.db2.gz MYBHDFWEOBWYTE-CVEARBPZSA-N 1 0 341.367 2.565 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343896055 145319238 /nfs/dbraw/zinc/31/92/38/145319238.db2.gz MBWIMRZQRTYHEV-NHYWBVRUSA-N 1 0 349.456 2.919 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000343981183 145338186 /nfs/dbraw/zinc/33/81/86/145338186.db2.gz JOIQGOMNKRCQJT-FRJURHEUSA-N 1 0 331.416 2.892 20 5 EFBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000344056723 145357247 /nfs/dbraw/zinc/35/72/47/145357247.db2.gz KBODISARKDKEQV-CYBMUJFWSA-N 1 0 331.416 2.852 20 5 EFBDRO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344072053 145361565 /nfs/dbraw/zinc/36/15/65/145361565.db2.gz SDFQNTZAFMLKBQ-OAHLLOKOSA-N 1 0 329.400 2.606 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000344097121 145367296 /nfs/dbraw/zinc/36/72/96/145367296.db2.gz IETRKMULAPPULE-JKSUJKDBSA-N 1 0 347.415 2.861 20 5 EFBDRO C[C@H]1CCC[C@@](CNC(=O)COc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000344143524 145378248 /nfs/dbraw/zinc/37/82/48/145378248.db2.gz QYMNHJBQGWCWHC-KBXCAEBGSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000344209937 145393516 /nfs/dbraw/zinc/39/35/16/145393516.db2.gz KBROGVVUOBLIFR-PXAZEXFGSA-N 1 0 337.395 2.974 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060527 145454066 /nfs/dbraw/zinc/45/40/66/145454066.db2.gz GWRGQIPFDDWAEG-QZTJIDSGSA-N 1 0 339.395 2.731 20 5 EFBDRO Cc1noc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000345825681 145630017 /nfs/dbraw/zinc/63/00/17/145630017.db2.gz YXIPTYVMKQSCFB-INIZCTEOSA-N 1 0 346.387 2.586 20 5 EFBDRO C[N@H+](CCC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000348838983 146010867 /nfs/dbraw/zinc/01/08/67/146010867.db2.gz SHYPVJWYWUSFHX-UHFFFAOYSA-N 1 0 347.346 2.833 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348915696 146023647 /nfs/dbraw/zinc/02/36/47/146023647.db2.gz CMZZLDRDUTZNAP-KRWDZBQOSA-N 1 0 347.415 2.733 20 5 EFBDRO CCc1oc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000348917964 146024316 /nfs/dbraw/zinc/02/43/16/146024316.db2.gz AIGMTIBGJWVKOB-UHFFFAOYSA-N 1 0 347.371 2.502 20 5 EFBDRO [NH3+]CCN(CCCc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000348921532 146024639 /nfs/dbraw/zinc/02/46/39/146024639.db2.gz NWRXBQRAIUUSTO-UHFFFAOYSA-N 1 0 341.411 2.928 20 5 EFBDRO COCCN(CC[NH+](C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349296297 146076690 /nfs/dbraw/zinc/07/66/90/146076690.db2.gz LOAKLOKCXUIGGU-UHFFFAOYSA-N 1 0 347.415 2.865 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000351516436 146136761 /nfs/dbraw/zinc/13/67/61/146136761.db2.gz JRMJEGWOROYUCC-KGLIPLIRSA-N 1 0 344.371 2.794 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000351516437 146136857 /nfs/dbraw/zinc/13/68/57/146136857.db2.gz JRMJEGWOROYUCC-UONOGXRCSA-N 1 0 344.371 2.794 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2Cc3ccccc3O2)n1 ZINC000351525492 146138544 /nfs/dbraw/zinc/13/85/44/146138544.db2.gz SVTWJGRNDIFDGP-BZUAXINKSA-N 1 0 342.399 2.868 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000351525434 146138659 /nfs/dbraw/zinc/13/86/59/146138659.db2.gz SASYLAVDQRRWBO-FABXCBLPSA-N 1 0 346.387 2.847 20 5 EFBDRO COc1cc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000351638720 146165655 /nfs/dbraw/zinc/16/56/55/146165655.db2.gz YMVQJPPNVUFRIC-WCQYABFASA-N 1 0 326.368 2.725 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)c2cccc(F)c2)c(F)c1 ZINC000351722166 146187303 /nfs/dbraw/zinc/18/73/03/146187303.db2.gz VLBQUFNBFPYNTC-HNNXBMFYSA-N 1 0 326.274 2.835 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351745386 146193548 /nfs/dbraw/zinc/19/35/48/146193548.db2.gz YNXYENNPTGXJBY-XHDPSFHLSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351745384 146193913 /nfs/dbraw/zinc/19/39/13/146193913.db2.gz YNXYENNPTGXJBY-IAQYHMDHSA-N 1 0 336.367 2.824 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000351750294 146194634 /nfs/dbraw/zinc/19/46/34/146194634.db2.gz VCLZSIJYYOOVSM-CYBMUJFWSA-N 1 0 336.367 2.826 20 5 EFBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[N@@H+]1C ZINC000351944907 146243176 /nfs/dbraw/zinc/24/31/76/146243176.db2.gz NOKQTOHTZNTSCZ-KGLIPLIRSA-N 1 0 344.415 2.817 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000352118410 146294195 /nfs/dbraw/zinc/29/41/95/146294195.db2.gz RQDBEYKJXRCVSA-LBPRGKRZSA-N 1 0 325.359 2.933 20 5 EFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352879260 146338986 /nfs/dbraw/zinc/33/89/86/146338986.db2.gz VMXYCXVNMPTBSR-OLZOCXBDSA-N 1 0 332.404 2.987 20 5 EFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000352890047 146341364 /nfs/dbraw/zinc/34/13/64/146341364.db2.gz WDGHTFGDXHCBHZ-UHFFFAOYSA-N 1 0 348.447 2.650 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000353051978 146385797 /nfs/dbraw/zinc/38/57/97/146385797.db2.gz YOEIVNMDHPHFLM-OAHLLOKOSA-N 1 0 343.383 2.945 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000355583931 147004017 /nfs/dbraw/zinc/00/40/17/147004017.db2.gz NOSZFWNTMIVDGJ-LBPRGKRZSA-N 1 0 348.399 2.910 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000355583925 147004148 /nfs/dbraw/zinc/00/41/48/147004148.db2.gz NOSZFWNTMIVDGJ-GFCCVEGCSA-N 1 0 348.399 2.910 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000355682675 147033460 /nfs/dbraw/zinc/03/34/60/147033460.db2.gz PEYNTBRLSVTFGB-UHFFFAOYSA-N 1 0 348.399 2.911 20 5 EFBDRO COC1CCC([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414197210 292160521 /nfs/dbraw/zinc/16/05/21/292160521.db2.gz YVKJRCHYNOIPBM-PREGVCBESA-N 1 0 344.415 2.965 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000356183763 147170099 /nfs/dbraw/zinc/17/00/99/147170099.db2.gz ANANUNHGXFVJFW-UHFFFAOYSA-N 1 0 325.372 2.930 20 5 EFBDRO CCNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000356285924 147200955 /nfs/dbraw/zinc/20/09/55/147200955.db2.gz VOBXRFQUMBEPOR-UKRRQHHQSA-N 1 0 346.431 2.725 20 5 EFBDRO CSc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000356289233 147202444 /nfs/dbraw/zinc/20/24/44/147202444.db2.gz VQOXBRPIKWBRSW-QGZVFWFLSA-N 1 0 349.456 2.875 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000356401435 147235104 /nfs/dbraw/zinc/23/51/04/147235104.db2.gz BVAJDEKKVIMZNN-ZIAGYGMSSA-N 1 0 334.420 2.650 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357001591 147396600 /nfs/dbraw/zinc/39/66/00/147396600.db2.gz MRPYCDMFYBROLK-CHWSQXEVSA-N 1 0 330.388 2.774 20 5 EFBDRO CC[N@H+](CCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1)CC(C)C ZINC000358457210 147809299 /nfs/dbraw/zinc/80/92/99/147809299.db2.gz LOWVVFMKXOXKPZ-UHFFFAOYSA-N 1 0 337.468 2.913 20 5 EFBDRO Cc1c(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000358687888 147870858 /nfs/dbraw/zinc/87/08/58/147870858.db2.gz QYYFPGGNTZBYFJ-CQSZACIVSA-N 1 0 348.447 2.824 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000359194351 148020244 /nfs/dbraw/zinc/02/02/44/148020244.db2.gz RYEFWLVDGXJIQJ-CABCVRRESA-N 1 0 334.420 2.575 20 5 EFBDRO Cc1c(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000359194353 148020701 /nfs/dbraw/zinc/02/07/01/148020701.db2.gz RYEFWLVDGXJIQJ-HUUCEWRRSA-N 1 0 334.420 2.575 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000359368206 148068559 /nfs/dbraw/zinc/06/85/59/148068559.db2.gz ZEXOIUDVRADHQR-HNNXBMFYSA-N 1 0 331.420 2.704 20 5 EFBDRO CO[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000359386971 148072452 /nfs/dbraw/zinc/07/24/52/148072452.db2.gz DFCKUJLWTCJDDL-LESCRADOSA-N 1 0 334.416 2.701 20 5 EFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]2C ZINC000359544839 148116949 /nfs/dbraw/zinc/11/69/49/148116949.db2.gz XJZWNZPGYMNEDB-OLZOCXBDSA-N 1 0 330.388 2.808 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000359836574 148203450 /nfs/dbraw/zinc/20/34/50/148203450.db2.gz USCAEMFOWZLFHE-UHFFFAOYSA-N 1 0 339.440 2.635 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)c1 ZINC000359865795 148210470 /nfs/dbraw/zinc/21/04/70/148210470.db2.gz AICIDFUJGUITMS-UHFFFAOYSA-N 1 0 346.362 2.773 20 5 EFBDRO Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359871165 148212372 /nfs/dbraw/zinc/21/23/72/148212372.db2.gz FVBMHANCWGOUSI-CYBMUJFWSA-N 1 0 337.395 2.732 20 5 EFBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066359 148263880 /nfs/dbraw/zinc/26/38/80/148263880.db2.gz OZJCGYYUBGFIGA-NSHDSACASA-N 1 0 346.353 2.580 20 5 EFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360140277 148281911 /nfs/dbraw/zinc/28/19/11/148281911.db2.gz NUUDQTQCKKXAJM-CQSZACIVSA-N 1 0 327.384 2.984 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000360211137 148300518 /nfs/dbraw/zinc/30/05/18/148300518.db2.gz BTBRPZJGRXNNSK-MRXNPFEDSA-N 1 0 349.337 2.906 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000360391105 148349514 /nfs/dbraw/zinc/34/95/14/148349514.db2.gz BTEUPUNPHLAILA-VXGBXAGGSA-N 1 0 336.392 2.550 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000361222043 148574129 /nfs/dbraw/zinc/57/41/29/148574129.db2.gz VJBPWDPCKAGLGJ-INIZCTEOSA-N 1 0 345.443 2.860 20 5 EFBDRO Cc1c(CC(=O)N2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000363932472 149033933 /nfs/dbraw/zinc/03/39/33/149033933.db2.gz SFPOFIJBLQWBMX-UHFFFAOYSA-N 1 0 331.416 2.533 20 5 EFBDRO CCc1nn(C)c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000364901233 149270773 /nfs/dbraw/zinc/27/07/73/149270773.db2.gz RZCHTZMOSPBVPE-HNNXBMFYSA-N 1 0 343.431 2.601 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000367993771 150004807 /nfs/dbraw/zinc/00/48/07/150004807.db2.gz JCADRMMKEGENHZ-SFHVURJKSA-N 1 0 349.431 2.572 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000368126122 150045576 /nfs/dbraw/zinc/04/55/76/150045576.db2.gz OQQDSNBGAXBUOH-UHOFOFEASA-N 1 0 331.416 2.716 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000368285412 150086349 /nfs/dbraw/zinc/08/63/49/150086349.db2.gz PBTLHTUENCEDRY-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCOC2)CC1 ZINC000368285413 150086537 /nfs/dbraw/zinc/08/65/37/150086537.db2.gz PBTLHTUENCEDRY-ZFWWWQNUSA-N 1 0 347.415 2.670 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC2)CC1 ZINC000368425166 150115751 /nfs/dbraw/zinc/11/57/51/150115751.db2.gz PNCMKMHYQJDAMJ-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO O=C(CC[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368638963 150169470 /nfs/dbraw/zinc/16/94/70/150169470.db2.gz QQQZDKFNDLKXTN-OAHLLOKOSA-N 1 0 347.415 2.672 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368688838 150183303 /nfs/dbraw/zinc/18/33/03/150183303.db2.gz QYYVVUKVQIIZSR-AWEZNQCLSA-N 1 0 336.779 2.900 20 5 EFBDRO Cc1cccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000368725453 150191128 /nfs/dbraw/zinc/19/11/28/150191128.db2.gz UZXFIJBVIUIYAX-UHFFFAOYSA-N 1 0 346.475 2.757 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000369354637 150334239 /nfs/dbraw/zinc/33/42/39/150334239.db2.gz SMFGSHPPZABSBV-CYBMUJFWSA-N 1 0 328.372 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371910134 150914808 /nfs/dbraw/zinc/91/48/08/150914808.db2.gz DNXPAEBAPCXIBF-KGLIPLIRSA-N 1 0 332.404 2.960 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372340781 150986923 /nfs/dbraw/zinc/98/69/23/150986923.db2.gz VALIDEJDWCPEHU-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO Cc1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1[N+](=O)[O-] ZINC000372414235 151000772 /nfs/dbraw/zinc/00/07/72/151000772.db2.gz YVZCPBLRSFRWCE-MRXNPFEDSA-N 1 0 331.416 2.880 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000372436378 151006304 /nfs/dbraw/zinc/00/63/04/151006304.db2.gz SEXURMZMNLAJLF-VOTSOKGWSA-N 1 0 329.400 2.695 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372729628 151052795 /nfs/dbraw/zinc/05/27/95/151052795.db2.gz VYOVMONDLHDHSQ-SJORKVTESA-N 1 0 330.388 2.507 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000372730744 151053237 /nfs/dbraw/zinc/05/32/37/151053237.db2.gz ZRKRWRHGLQTACV-ROUUACIJSA-N 1 0 328.368 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000372730746 151053575 /nfs/dbraw/zinc/05/35/75/151053575.db2.gz ZRKRWRHGLQTACV-ZWKOTPCHSA-N 1 0 328.368 2.782 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000372785893 151062237 /nfs/dbraw/zinc/06/22/37/151062237.db2.gz VYAQLYNHSYYISK-DZGCQCFKSA-N 1 0 329.404 2.566 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@](O)(C3CC3)C2)c1 ZINC000373322044 151152547 /nfs/dbraw/zinc/15/25/47/151152547.db2.gz UJQIDVOKLVKEAF-OAHLLOKOSA-N 1 0 328.315 2.543 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000373783035 151225816 /nfs/dbraw/zinc/22/58/16/151225816.db2.gz OKQXWMWGXMDMJO-MRXNPFEDSA-N 1 0 347.415 2.580 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000373951457 151255547 /nfs/dbraw/zinc/25/55/47/151255547.db2.gz SPUHGIKTOXVMBR-UHFFFAOYSA-N 1 0 331.416 2.851 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374326682 151324092 /nfs/dbraw/zinc/32/40/92/151324092.db2.gz GIDQHGXXKCSCHV-FUTAKVPZSA-N 1 0 343.427 2.798 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000374514824 151361221 /nfs/dbraw/zinc/36/12/21/151361221.db2.gz PYPHPFOGMWOFKY-CFVMTHIKSA-N 1 0 347.415 2.798 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000374514828 151361294 /nfs/dbraw/zinc/36/12/94/151361294.db2.gz PYPHPFOGMWOFKY-QEJZJMRPSA-N 1 0 347.415 2.798 20 5 EFBDRO O=C(CC[NH+]1CCC([C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374586076 151375981 /nfs/dbraw/zinc/37/59/81/151375981.db2.gz MJYGOVOOEPVWSB-HNNXBMFYSA-N 1 0 347.415 2.672 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000374620097 151382823 /nfs/dbraw/zinc/38/28/23/151382823.db2.gz LNVLXJCROGSUHJ-DOTOQJQBSA-N 1 0 328.368 2.612 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2ccnc2)nc1 ZINC000374629579 151384526 /nfs/dbraw/zinc/38/45/26/151384526.db2.gz WKOVTWRVAIYFID-UHFFFAOYSA-N 1 0 337.383 2.850 20 5 EFBDRO COc1ccc(OCC[NH2+][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000374642581 151387089 /nfs/dbraw/zinc/38/70/89/151387089.db2.gz ILDAVXVOBFOELY-DLBZAZTESA-N 1 0 336.388 2.529 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000374642587 151387270 /nfs/dbraw/zinc/38/72/70/151387270.db2.gz ILDAVXVOBFOELY-SJORKVTESA-N 1 0 336.388 2.529 20 5 EFBDRO COc1ccc(-c2ccc(CN(C)CC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000348902374 286263525 /nfs/dbraw/zinc/26/35/25/286263525.db2.gz BREMFRLFSDWXAE-UHFFFAOYSA-N 1 0 333.388 2.857 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377328489 151855712 /nfs/dbraw/zinc/85/57/12/151855712.db2.gz BYXSFZOHEZMQMJ-MNOVXSKESA-N 1 0 338.795 2.997 20 5 EFBDRO COc1cc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000378157686 152021390 /nfs/dbraw/zinc/02/13/90/152021390.db2.gz ILKYPCZJFJKYTI-CABCVRRESA-N 1 0 335.404 2.659 20 5 EFBDRO COc1ccc(NC(=O)CC[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000378326146 152057917 /nfs/dbraw/zinc/05/79/17/152057917.db2.gz KUSFLUKZAHWHLA-UHFFFAOYSA-N 1 0 333.388 2.808 20 5 EFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000408088252 152150314 /nfs/dbraw/zinc/15/03/14/152150314.db2.gz PRHVOTQMEOROIP-CQSZACIVSA-N 1 0 343.427 2.996 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000408099417 152151294 /nfs/dbraw/zinc/15/12/94/152151294.db2.gz LOMAVDYJVXTFSZ-MCIONIFRSA-N 1 0 335.452 2.732 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000408268640 152170500 /nfs/dbraw/zinc/17/05/00/152170500.db2.gz OEJMDFZMWTUBEV-MGPQQGTHSA-N 1 0 346.431 2.654 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NC(C)C ZINC000414332881 286857989 /nfs/dbraw/zinc/85/79/89/286857989.db2.gz FFJFYGYALSZVFK-OLZOCXBDSA-N 1 0 339.461 2.968 20 5 EFBDRO CC[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000245516340 287210617 /nfs/dbraw/zinc/21/06/17/287210617.db2.gz FUVLGVOVVQUHBN-BZUAXINKSA-N 1 0 335.448 2.741 20 5 EFBDRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000158595930 225050876 /nfs/dbraw/zinc/05/08/76/225050876.db2.gz IVWSWCCWEKAEBL-UHFFFAOYSA-N 1 0 329.356 2.552 20 5 EFBDRO C[C@H]1[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC[C@@H]1C ZINC000171410711 227064824 /nfs/dbraw/zinc/06/48/24/227064824.db2.gz CMOWBLWCOGOTIH-QJPTWQEYSA-N 1 0 349.387 2.676 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000123019292 222200553 /nfs/dbraw/zinc/20/05/53/222200553.db2.gz WTRNDRTVNQEPPE-LBPRGKRZSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@H]1C[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000124001082 222363232 /nfs/dbraw/zinc/36/32/32/222363232.db2.gz XEXWIJKZNXFSDE-SWLSCSKDSA-N 1 0 345.403 2.559 20 5 EFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000124156968 222383396 /nfs/dbraw/zinc/38/33/96/222383396.db2.gz IEXRFTVMPJDMRZ-CQSZACIVSA-N 1 0 348.447 2.583 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124173504 222387277 /nfs/dbraw/zinc/38/72/77/222387277.db2.gz QOEIKXPWQJDLKW-MRXNPFEDSA-N 1 0 333.432 2.622 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000171634881 227187171 /nfs/dbraw/zinc/18/71/71/227187171.db2.gz GNZSZMVOWKKACB-ZDUSSCGKSA-N 1 0 333.413 2.976 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113328513 544569976 /nfs/dbraw/zinc/56/99/76/544569976.db2.gz URCVKZSPPNVHDN-OAHLLOKOSA-N 1 0 332.429 2.902 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170020457 544856058 /nfs/dbraw/zinc/85/60/58/544856058.db2.gz KKGFELSARQRILM-STQMWFEESA-N 1 0 332.404 2.764 20 5 EFBDRO CC(C)C[NH+]1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054644865 292650817 /nfs/dbraw/zinc/65/08/17/292650817.db2.gz KVQVGTMXNRTQFZ-UHFFFAOYSA-N 1 0 348.447 2.557 20 5 EFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000085289937 264631588 /nfs/dbraw/zinc/63/15/88/264631588.db2.gz MBIOAAJILJMUMR-LLVKDONJSA-N 1 0 341.839 2.883 20 5 EFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174674703 264805466 /nfs/dbraw/zinc/80/54/66/264805466.db2.gz KCBZOSZJKVVOHW-UHFFFAOYSA-N 1 0 334.420 2.631 20 5 EFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175168406 264828590 /nfs/dbraw/zinc/82/85/90/264828590.db2.gz CMETZQZVVNPZGU-INIZCTEOSA-N 1 0 346.431 2.659 20 5 EFBDRO CC1CC[NH+](CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186016823 265054293 /nfs/dbraw/zinc/05/42/93/265054293.db2.gz LYTLZTKKWKKIOM-UHFFFAOYSA-N 1 0 325.796 2.596 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCCCC1 ZINC000187332359 265094520 /nfs/dbraw/zinc/09/45/20/265094520.db2.gz NDLDJHQUZYDLGE-CQSZACIVSA-N 1 0 349.431 2.939 20 5 EFBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000188941291 265165128 /nfs/dbraw/zinc/16/51/28/265165128.db2.gz WGORAFJRKSJTQD-MRXNPFEDSA-N 1 0 330.384 2.605 20 5 EFBDRO COC(=O)[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000191586429 265269335 /nfs/dbraw/zinc/26/93/35/265269335.db2.gz VHTZZYBTGDVSCP-GOSISDBHSA-N 1 0 328.368 2.815 20 5 EFBDRO CCc1cc(NCCCNC(C)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193517501 265335006 /nfs/dbraw/zinc/33/50/06/265335006.db2.gz CYUOQXYGAZDJBH-UHFFFAOYSA-N 1 0 343.387 2.552 20 5 EFBDRO COCCOc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000083455338 272991291 /nfs/dbraw/zinc/99/12/91/272991291.db2.gz GXMNNBOAGUQYOI-UHFFFAOYSA-N 1 0 330.384 2.952 20 5 EFBDRO COC(=O)[C@@H]1CC12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000271179868 265908673 /nfs/dbraw/zinc/90/86/73/265908673.db2.gz KRTPQYKWOCBYRA-DRDHIDPGSA-N 1 0 330.384 2.883 20 5 EFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271539906 266003616 /nfs/dbraw/zinc/00/36/16/266003616.db2.gz UBHXYPRULZLWGB-LLVKDONJSA-N 1 0 327.812 2.985 20 5 EFBDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000271710116 266046824 /nfs/dbraw/zinc/04/68/24/266046824.db2.gz JJILHGAECLMGBB-NVXWUHKLSA-N 1 0 346.431 2.838 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000271761460 266055516 /nfs/dbraw/zinc/05/55/16/266055516.db2.gz MLQYWGKYUIZIEE-LSDHHAIUSA-N 1 0 338.795 2.547 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088349420 272995416 /nfs/dbraw/zinc/99/54/16/272995416.db2.gz YFGZACFHILGNBR-UHFFFAOYSA-N 1 0 331.416 2.600 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271854637 266079784 /nfs/dbraw/zinc/07/97/84/266079784.db2.gz UQDVQAWFJNVTJZ-BAESOJJISA-N 1 0 335.404 2.571 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000271918864 266096425 /nfs/dbraw/zinc/09/64/25/266096425.db2.gz KAOPNSJECPJVRO-UHFFFAOYSA-N 1 0 343.305 2.605 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000271975129 266112223 /nfs/dbraw/zinc/11/22/23/266112223.db2.gz NNJUHPVQSYCZCR-UHFFFAOYSA-N 1 0 331.397 2.801 20 5 EFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271992868 266117686 /nfs/dbraw/zinc/11/76/86/266117686.db2.gz GNNJFJLWTQUODC-CXAGYDPISA-N 1 0 336.388 2.815 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271992872 266117738 /nfs/dbraw/zinc/11/77/38/266117738.db2.gz GNNJFJLWTQUODC-SUMWQHHRSA-N 1 0 336.388 2.815 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1O ZINC000272045918 266135557 /nfs/dbraw/zinc/13/55/57/266135557.db2.gz WXJWPWBQXDUEPX-KBPBESRZSA-N 1 0 338.404 2.992 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000272125918 266161810 /nfs/dbraw/zinc/16/18/10/266161810.db2.gz ALDUORLJNZUSND-JTQLQIEISA-N 1 0 341.358 2.675 20 5 EFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272365429 266242560 /nfs/dbraw/zinc/24/25/60/266242560.db2.gz SVEQNFJQDFZVMO-HIFRSBDPSA-N 1 0 343.383 2.828 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272372097 266244288 /nfs/dbraw/zinc/24/42/88/266244288.db2.gz GQYPJPQBYQHFRY-QMTHXVAHSA-N 1 0 338.795 2.806 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000272407503 266255811 /nfs/dbraw/zinc/25/58/11/266255811.db2.gz ZYQDHJLFFWFHIN-HNNXBMFYSA-N 1 0 335.448 2.743 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272477347 266277636 /nfs/dbraw/zinc/27/76/36/266277636.db2.gz GHSZILFBYICEIP-WMLDXEAASA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272507658 266288633 /nfs/dbraw/zinc/28/86/33/266288633.db2.gz IHUCSHRSTIEBQL-CKEIUWERSA-N 1 0 344.415 2.822 20 5 EFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCC[C@H]1O ZINC000272508127 266288717 /nfs/dbraw/zinc/28/87/17/266288717.db2.gz JSYVAXXLBAPHJB-DZGCQCFKSA-N 1 0 346.387 2.628 20 5 EFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000272514575 266290324 /nfs/dbraw/zinc/29/03/24/266290324.db2.gz GWMXMKJBSUCDTP-UHFFFAOYSA-N 1 0 330.388 2.538 20 5 EFBDRO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272521702 266292667 /nfs/dbraw/zinc/29/26/67/266292667.db2.gz LGPZXLFPZBYAGI-INIZCTEOSA-N 1 0 346.431 2.806 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272559562 266307689 /nfs/dbraw/zinc/30/76/89/266307689.db2.gz POVSNIHEGAUDPF-UHFFFAOYSA-N 1 0 329.347 2.535 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272593852 266319297 /nfs/dbraw/zinc/31/92/97/266319297.db2.gz OGFPNEWHDJAZFV-OFQRWUPVSA-N 1 0 346.431 2.782 20 5 EFBDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000272609273 266326450 /nfs/dbraw/zinc/32/64/50/266326450.db2.gz WMHCZTDUADXZCN-RISCZKNCSA-N 1 0 334.372 2.790 20 5 EFBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272609314 266326979 /nfs/dbraw/zinc/32/69/79/266326979.db2.gz WOWYHNVXPFKLJJ-LBPRGKRZSA-N 1 0 341.358 2.535 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000272643498 266337811 /nfs/dbraw/zinc/33/78/11/266337811.db2.gz OSKRXUIDKMMIRE-BXUZGUMPSA-N 1 0 329.356 2.507 20 5 EFBDRO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000272761342 266374455 /nfs/dbraw/zinc/37/44/55/266374455.db2.gz AKJXTYCMVZAYBQ-JSGCOSHPSA-N 1 0 348.403 2.551 20 5 EFBDRO CN(CC1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000103451191 273001460 /nfs/dbraw/zinc/00/14/60/273001460.db2.gz BCQUFQZNZAFYST-GQCTYLIASA-N 1 0 335.379 2.547 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000107693494 273008110 /nfs/dbraw/zinc/00/81/10/273008110.db2.gz PPJOFJJOSFBKFD-CQSZACIVSA-N 1 0 335.404 2.590 20 5 EFBDRO CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275431901 266805595 /nfs/dbraw/zinc/80/55/95/266805595.db2.gz ISGFOKDNZFAGPA-ZIAGYGMSSA-N 1 0 325.409 2.750 20 5 EFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)O ZINC000275463725 266812605 /nfs/dbraw/zinc/81/26/05/266812605.db2.gz KPDJLMCSLFMQLF-UHFFFAOYSA-N 1 0 341.383 2.545 20 5 EFBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000108422311 273009831 /nfs/dbraw/zinc/00/98/31/273009831.db2.gz CLTBFIDMPACCBT-UHFFFAOYSA-N 1 0 331.372 2.811 20 5 EFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000276555150 267012885 /nfs/dbraw/zinc/01/28/85/267012885.db2.gz FVISXRZOKWATIU-QGZVFWFLSA-N 1 0 330.384 2.989 20 5 EFBDRO COC(=O)c1cnc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000276700083 267037602 /nfs/dbraw/zinc/03/76/02/267037602.db2.gz ICZDXUWSLTUVSK-UHFFFAOYSA-N 1 0 348.403 2.595 20 5 EFBDRO CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000276826519 267056349 /nfs/dbraw/zinc/05/63/49/267056349.db2.gz ALHIECDZXKPITE-HOTGVXAUSA-N 1 0 333.432 2.910 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276866142 267064557 /nfs/dbraw/zinc/06/45/57/267064557.db2.gz HBJSHDPDKIPLHM-GDBMZVCRSA-N 1 0 338.429 2.700 20 5 EFBDRO CCOc1cc(C[NH+]2CCC(C3OCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276944934 267082760 /nfs/dbraw/zinc/08/27/60/267082760.db2.gz SUDXILGIAAFKOW-UHFFFAOYSA-N 1 0 336.388 2.578 20 5 EFBDRO CCOc1cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000276982717 267091741 /nfs/dbraw/zinc/09/17/41/267091741.db2.gz YMZYSKGZONKRTA-HNNXBMFYSA-N 1 0 349.431 2.907 20 5 EFBDRO CCOc1cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000276982719 267092287 /nfs/dbraw/zinc/09/22/87/267092287.db2.gz YMZYSKGZONKRTA-OAHLLOKOSA-N 1 0 349.431 2.907 20 5 EFBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000277280664 267145859 /nfs/dbraw/zinc/14/58/59/267145859.db2.gz SFBCVVQAXUDGCR-ZDUSSCGKSA-N 1 0 325.384 2.659 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277344107 267160806 /nfs/dbraw/zinc/16/08/06/267160806.db2.gz STVCWWKPUBEJDM-GFCCVEGCSA-N 1 0 325.796 2.805 20 5 EFBDRO CCNC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000277399179 267172768 /nfs/dbraw/zinc/17/27/68/267172768.db2.gz KJTQVKQBGNZJQE-UHFFFAOYSA-N 1 0 325.796 2.644 20 5 EFBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000277455742 267182236 /nfs/dbraw/zinc/18/22/36/267182236.db2.gz AOYQIDYATJLHOI-UHFFFAOYSA-N 1 0 346.383 2.874 20 5 EFBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277543183 267193416 /nfs/dbraw/zinc/19/34/16/267193416.db2.gz XIYHSUCUTAZEIU-IUODEOHRSA-N 1 0 340.445 2.783 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000277582984 267204223 /nfs/dbraw/zinc/20/42/23/267204223.db2.gz UVGRQHVIJYOCCL-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277607964 267210820 /nfs/dbraw/zinc/21/08/20/267210820.db2.gz WGNPDQKXTGUAAB-CQSZACIVSA-N 1 0 337.420 2.528 20 5 EFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277630060 267216416 /nfs/dbraw/zinc/21/64/16/267216416.db2.gz XAOGSMOCEBHBOT-ZDUSSCGKSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277630057 267216832 /nfs/dbraw/zinc/21/68/32/267216832.db2.gz XAOGSMOCEBHBOT-CYBMUJFWSA-N 1 0 337.807 2.995 20 5 EFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277664484 267226634 /nfs/dbraw/zinc/22/66/34/267226634.db2.gz FDAODNNWXPJZGD-FZMZJTMJSA-N 1 0 348.321 2.609 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000277683217 267233269 /nfs/dbraw/zinc/23/32/69/267233269.db2.gz YTQODJJONJCDSA-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000277691082 267236346 /nfs/dbraw/zinc/23/63/46/267236346.db2.gz GZYVNJXFQGNJHA-QGZVFWFLSA-N 1 0 346.387 2.772 20 5 EFBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000277706337 267239820 /nfs/dbraw/zinc/23/98/20/267239820.db2.gz MBCCCWHRCJEQMV-UHFFFAOYSA-N 1 0 346.383 2.874 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C2CCOCC2)CC1 ZINC000277797851 267266998 /nfs/dbraw/zinc/26/69/98/267266998.db2.gz NZELIOPYXLXGER-UHFFFAOYSA-N 1 0 339.823 2.858 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278125798 267348908 /nfs/dbraw/zinc/34/89/08/267348908.db2.gz MAKWQDXOJWSSSB-UHFFFAOYSA-N 1 0 346.431 2.611 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000278593681 267493455 /nfs/dbraw/zinc/49/34/55/267493455.db2.gz UPISWXRBVQQRAJ-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000278708021 267530024 /nfs/dbraw/zinc/53/00/24/267530024.db2.gz QRWWSEWGNJIFPX-XNRPHZJLSA-N 1 0 335.404 2.777 20 5 EFBDRO CNC(=O)C1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278833092 267575439 /nfs/dbraw/zinc/57/54/39/267575439.db2.gz UFQDHMSULVDRES-KVULBXGLSA-N 1 0 331.416 2.867 20 5 EFBDRO O=[N+]([O-])c1cnn(CCN2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000157612987 273021037 /nfs/dbraw/zinc/02/10/37/273021037.db2.gz QIOMCFCOOFSNQF-SFHVURJKSA-N 1 0 337.383 2.698 20 5 EFBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000177427297 273037080 /nfs/dbraw/zinc/03/70/80/273037080.db2.gz JSVOLZWIUJTQBT-QGZVFWFLSA-N 1 0 336.388 2.767 20 5 EFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000188372634 273056695 /nfs/dbraw/zinc/05/66/95/273056695.db2.gz DDHTUGNTDHFZJU-UHFFFAOYSA-N 1 0 343.387 2.666 20 5 EFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC000237579444 273071653 /nfs/dbraw/zinc/07/16/53/273071653.db2.gz CGIJQGNIUNHHPJ-CYBMUJFWSA-N 1 0 331.416 2.505 20 5 EFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237857559 273072393 /nfs/dbraw/zinc/07/23/93/273072393.db2.gz BOIGQRZZOSNOBJ-DLBZAZTESA-N 1 0 331.416 2.777 20 5 EFBDRO Cc1c(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269602536 273085026 /nfs/dbraw/zinc/08/50/26/273085026.db2.gz HVYZIZGMFGOVCY-INIZCTEOSA-N 1 0 347.440 2.926 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000269642209 273086960 /nfs/dbraw/zinc/08/69/60/273086960.db2.gz JSRNQHOTULLMKC-DJIMGWMZSA-N 1 0 346.383 2.809 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269740925 273089908 /nfs/dbraw/zinc/08/99/08/273089908.db2.gz YZDXSIIMCGGJBN-YOEHRIQHSA-N 1 0 343.427 2.992 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269740922 273089992 /nfs/dbraw/zinc/08/99/92/273089992.db2.gz YZDXSIIMCGGJBN-PBHICJAKSA-N 1 0 343.427 2.992 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000271116597 273098862 /nfs/dbraw/zinc/09/88/62/273098862.db2.gz INWNOZIUFGRVEJ-OLZOCXBDSA-N 1 0 337.445 2.724 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1=O ZINC000271116600 273098915 /nfs/dbraw/zinc/09/89/15/273098915.db2.gz INWNOZIUFGRVEJ-QWHCGFSZSA-N 1 0 337.445 2.724 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nncn1C ZINC000271138522 273101091 /nfs/dbraw/zinc/10/10/91/273101091.db2.gz NSXITHLDUUBOQU-VXGBXAGGSA-N 1 0 335.433 2.945 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nncn1C ZINC000271138520 273101112 /nfs/dbraw/zinc/10/11/12/273101112.db2.gz NSXITHLDUUBOQU-NWDGAFQWSA-N 1 0 335.433 2.945 20 5 EFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271247668 273103393 /nfs/dbraw/zinc/10/33/93/273103393.db2.gz JVASTQRQGIKSPF-DOMZBBRYSA-N 1 0 330.388 2.652 20 5 EFBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000271876859 273110911 /nfs/dbraw/zinc/11/09/11/273110911.db2.gz MJYWXFUBUVWSKO-UHFFFAOYSA-N 1 0 331.416 2.884 20 5 EFBDRO C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272680414 273113957 /nfs/dbraw/zinc/11/39/57/273113957.db2.gz SCDJPCMVYWBWCX-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000274268707 273128684 /nfs/dbraw/zinc/12/86/84/273128684.db2.gz MEGDPUDSHFDLIF-CJNGLKHVSA-N 1 0 332.404 2.770 20 5 EFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000274308308 273131562 /nfs/dbraw/zinc/13/15/62/273131562.db2.gz SSBZUCNVKAIXIV-LSDHHAIUSA-N 1 0 335.404 2.715 20 5 EFBDRO COC(=O)CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000274347462 273132750 /nfs/dbraw/zinc/13/27/50/273132750.db2.gz WFCSXWQFIOIFAZ-UHFFFAOYSA-N 1 0 328.340 2.516 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000275517856 273137335 /nfs/dbraw/zinc/13/73/35/273137335.db2.gz VUIHYPOVNWYZFA-HZPDHXFCSA-N 1 0 337.445 2.619 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277334775 273152435 /nfs/dbraw/zinc/15/24/35/273152435.db2.gz VSEXBORXMYJDHP-GJZGRUSLSA-N 1 0 348.447 2.646 20 5 EFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277334760 273152549 /nfs/dbraw/zinc/15/25/49/273152549.db2.gz VSEXBORXMYJDHP-CABCVRRESA-N 1 0 348.447 2.646 20 5 EFBDRO COc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000277504408 273158707 /nfs/dbraw/zinc/15/87/07/273158707.db2.gz PZXWFMDGOOAFOG-UHFFFAOYSA-N 1 0 340.273 2.610 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)C1CC1 ZINC000279002888 273165312 /nfs/dbraw/zinc/16/53/12/273165312.db2.gz RQNUHKKZZYSCAB-PBHICJAKSA-N 1 0 340.427 2.965 20 5 EFBDRO CC(C)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000279083250 273174672 /nfs/dbraw/zinc/17/46/72/273174672.db2.gz MWJQBTIDIATBBO-CVEARBPZSA-N 1 0 331.416 2.916 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279198518 273187267 /nfs/dbraw/zinc/18/72/67/273187267.db2.gz FSXIMVWPJWRZBQ-KBRIMQKVSA-N 1 0 332.400 2.911 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000279198523 273187317 /nfs/dbraw/zinc/18/73/17/273187317.db2.gz FSXIMVWPJWRZBQ-XKQJLSEDSA-N 1 0 332.400 2.911 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279219801 273189795 /nfs/dbraw/zinc/18/97/95/273189795.db2.gz HWLHHBYLNQPPEN-HUBLWGQQSA-N 1 0 346.387 2.847 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000279304823 273200309 /nfs/dbraw/zinc/20/03/09/273200309.db2.gz MNDQDZFQJXDBTQ-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO CO[C@@]1(C)CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000279378242 273208683 /nfs/dbraw/zinc/20/86/83/273208683.db2.gz SNDUECHLSWZMOC-INIZCTEOSA-N 1 0 332.360 2.646 20 5 EFBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n1C ZINC000279553330 273227509 /nfs/dbraw/zinc/22/75/09/273227509.db2.gz RBXWDTXDIRWDEZ-QGZVFWFLSA-N 1 0 341.411 2.713 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279596915 273232287 /nfs/dbraw/zinc/23/22/87/273232287.db2.gz FXDXTKRXMYGMCR-UHFFFAOYSA-N 1 0 345.802 2.730 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000279624907 273235297 /nfs/dbraw/zinc/23/52/97/273235297.db2.gz BDJRUALDNMTCKR-GDBMZVCRSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279690763 273242506 /nfs/dbraw/zinc/24/25/06/273242506.db2.gz GCKCDLCFILZVTE-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO Cn1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279690637 273242591 /nfs/dbraw/zinc/24/25/91/273242591.db2.gz PSMLHQLVFNFCKM-GOSISDBHSA-N 1 0 344.415 2.732 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000279702513 273243768 /nfs/dbraw/zinc/24/37/68/273243768.db2.gz HCIPTKFULWSEPN-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279735478 273247646 /nfs/dbraw/zinc/24/76/46/273247646.db2.gz KAFAGSFEYUBRLA-INIZCTEOSA-N 1 0 349.431 2.979 20 5 EFBDRO CC[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279951511 273273625 /nfs/dbraw/zinc/27/36/25/273273625.db2.gz JTMYQLFQWLFSBC-UHFFFAOYSA-N 1 0 343.786 2.530 20 5 EFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000279999163 273279455 /nfs/dbraw/zinc/27/94/55/273279455.db2.gz RSLVVGGAEAZTHB-KWCYVHTRSA-N 1 0 336.388 2.671 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280054641 273285603 /nfs/dbraw/zinc/28/56/03/273285603.db2.gz NTCMENHNDAKTKS-HNNXBMFYSA-N 1 0 329.404 2.806 20 5 EFBDRO Cc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280099960 273290688 /nfs/dbraw/zinc/29/06/88/273290688.db2.gz AWUOTBQILZSALE-SCLBCKFNSA-N 1 0 343.383 2.836 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000280173081 273298673 /nfs/dbraw/zinc/29/86/73/273298673.db2.gz XRNXOLJCTZBDFD-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CC1=C(C)CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000280196594 273301229 /nfs/dbraw/zinc/30/12/29/273301229.db2.gz IOJGGDMBUSGLPA-UHFFFAOYSA-N 1 0 326.356 2.963 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)ccc1[N+](=O)[O-] ZINC000280199188 273301399 /nfs/dbraw/zinc/30/13/99/273301399.db2.gz IVEMEYCTAUYNMT-GOEBONIOSA-N 1 0 349.431 2.683 20 5 EFBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000280252758 273307556 /nfs/dbraw/zinc/30/75/56/273307556.db2.gz KTMSNVPUCRPHDR-STQMWFEESA-N 1 0 348.403 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)o2)cc1 ZINC000280290969 273312036 /nfs/dbraw/zinc/31/20/36/273312036.db2.gz MQVBGOUOSKAQAV-CABCVRRESA-N 1 0 346.383 2.589 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)o2)cc1 ZINC000280290973 273312048 /nfs/dbraw/zinc/31/20/48/273312048.db2.gz MQVBGOUOSKAQAV-HUUCEWRRSA-N 1 0 346.383 2.589 20 5 EFBDRO C[C@@H](CO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000280361291 273319767 /nfs/dbraw/zinc/31/97/67/273319767.db2.gz JTGABZFAJMAJLQ-LBPRGKRZSA-N 1 0 346.387 2.628 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000280519971 273336449 /nfs/dbraw/zinc/33/64/49/273336449.db2.gz HPZXLCFBOWAEPG-GOSISDBHSA-N 1 0 344.415 2.996 20 5 EFBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280536573 273338436 /nfs/dbraw/zinc/33/84/36/273338436.db2.gz PKJBSBGRTAQIMK-DYVFJYSZSA-N 1 0 335.404 2.813 20 5 EFBDRO Cc1cc(N2CCO[C@@]3(CCO[C@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280559683 273341036 /nfs/dbraw/zinc/34/10/36/273341036.db2.gz UPTPQBWNUAVVTC-UGSOOPFHSA-N 1 0 343.383 2.836 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000280610121 273346554 /nfs/dbraw/zinc/34/65/54/273346554.db2.gz VTYJZFPHEARWLP-CQSZACIVSA-N 1 0 349.431 2.715 20 5 EFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280626947 273348207 /nfs/dbraw/zinc/34/82/07/273348207.db2.gz XBXHHXITHPZAQT-KRWDZBQOSA-N 1 0 343.383 2.522 20 5 EFBDRO CSc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000280638311 273349495 /nfs/dbraw/zinc/34/94/95/273349495.db2.gz ZIBBKKZNSSMIFQ-UHFFFAOYSA-N 1 0 333.413 2.610 20 5 EFBDRO CCC(=O)c1ccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280776776 273365573 /nfs/dbraw/zinc/36/55/73/273365573.db2.gz SKIOBNZAXVIAFW-GOEBONIOSA-N 1 0 337.445 2.669 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280788034 273366866 /nfs/dbraw/zinc/36/68/66/273366866.db2.gz HIRKBXHRJZGAEA-OWLYRPNTSA-N 1 0 348.443 2.541 20 5 EFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000280865509 273375368 /nfs/dbraw/zinc/37/53/68/273375368.db2.gz CMSQZESNNJDPDP-YJBOKZPZSA-N 1 0 345.443 2.764 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281075392 273398129 /nfs/dbraw/zinc/39/81/29/273398129.db2.gz UAHWWGSBIKMSAA-MRXNPFEDSA-N 1 0 343.383 2.660 20 5 EFBDRO C[S@@](=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000281131757 273403815 /nfs/dbraw/zinc/40/38/15/273403815.db2.gz TWNZPSTVXDGTHL-IQMFZBJNSA-N 1 0 336.457 2.807 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000281384367 273429500 /nfs/dbraw/zinc/42/95/00/273429500.db2.gz XKSPKSKFJVFXTA-OAHLLOKOSA-N 1 0 349.431 2.520 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000281608109 273451922 /nfs/dbraw/zinc/45/19/22/273451922.db2.gz DWSYSBBUKPIYCT-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000281664380 273457401 /nfs/dbraw/zinc/45/74/01/273457401.db2.gz JGJKVIQRECLFCR-UHFFFAOYSA-N 1 0 331.372 2.899 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281808037 273471330 /nfs/dbraw/zinc/47/13/30/273471330.db2.gz YUJHCPZZKAIOTC-ZMSDIMECSA-N 1 0 345.443 2.907 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000281812992 273471892 /nfs/dbraw/zinc/47/18/92/273471892.db2.gz UVIUDAVFEBJCSX-UHFFFAOYSA-N 1 0 344.415 2.563 20 5 EFBDRO C[C@@](O)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281982150 273497338 /nfs/dbraw/zinc/49/73/38/273497338.db2.gz VDLOQRSQMRBVJE-CQSZACIVSA-N 1 0 348.321 2.751 20 5 EFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000281994315 273499114 /nfs/dbraw/zinc/49/91/14/273499114.db2.gz PTFYWVDLHVOYHG-JTQLQIEISA-N 1 0 345.321 2.815 20 5 EFBDRO Cc1cc(OCC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000282097108 273513762 /nfs/dbraw/zinc/51/37/62/273513762.db2.gz XQZNVXBBUZCUEW-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000282403724 273557276 /nfs/dbraw/zinc/55/72/76/273557276.db2.gz YQSOFEGIERVTAI-CYBMUJFWSA-N 1 0 336.413 2.810 20 5 EFBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000282456302 273565344 /nfs/dbraw/zinc/56/53/44/273565344.db2.gz MEESOTFUWXIGDN-UHFFFAOYSA-N 1 0 337.420 2.763 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282610669 273588692 /nfs/dbraw/zinc/58/86/92/273588692.db2.gz NNTKIEFTDUQFCV-JTQLQIEISA-N 1 0 326.303 2.571 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000283036440 273658809 /nfs/dbraw/zinc/65/88/09/273658809.db2.gz GJJHHNUOYNWJRD-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000283421844 273713749 /nfs/dbraw/zinc/71/37/49/273713749.db2.gz XRBIQLKOMNMMPJ-CYBMUJFWSA-N 1 0 337.420 2.700 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000283462303 273718742 /nfs/dbraw/zinc/71/87/42/273718742.db2.gz LRQQFZCTADIYJZ-UHFFFAOYSA-N 1 0 335.404 2.599 20 5 EFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000283919098 273774904 /nfs/dbraw/zinc/77/49/04/273774904.db2.gz WZJGEXLPGDVWMP-UHFFFAOYSA-N 1 0 335.404 2.710 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000283977187 273782094 /nfs/dbraw/zinc/78/20/94/273782094.db2.gz ZPZBEOPNFFBEHY-UHFFFAOYSA-N 1 0 349.431 2.735 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000284002879 273785169 /nfs/dbraw/zinc/78/51/69/273785169.db2.gz NQCIDKRTVDVOAQ-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000284067662 273792735 /nfs/dbraw/zinc/79/27/35/273792735.db2.gz KMHDTGXXRZHOCZ-OAHLLOKOSA-N 1 0 337.376 2.924 20 5 EFBDRO O=C(CC[NH+]1CCC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000284679300 273871251 /nfs/dbraw/zinc/87/12/51/273871251.db2.gz GXCFAVLYBHOVGJ-UHFFFAOYSA-N 1 0 347.415 2.816 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284780591 273886802 /nfs/dbraw/zinc/88/68/02/273886802.db2.gz NWBIYSFCEKNPKI-CQSZACIVSA-N 1 0 347.415 2.814 20 5 EFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)c(OC)c1 ZINC000285441083 274000232 /nfs/dbraw/zinc/00/02/32/274000232.db2.gz LITNIOWINOJXPT-CYBMUJFWSA-N 1 0 334.376 2.549 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285446311 274000995 /nfs/dbraw/zinc/00/09/95/274000995.db2.gz GBMDJXLKFULKJK-CQSZACIVSA-N 1 0 348.321 2.753 20 5 EFBDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000360305143 274016246 /nfs/dbraw/zinc/01/62/46/274016246.db2.gz RXGTXZXDMDLCKQ-UHFFFAOYSA-N 1 0 335.404 2.731 20 5 EFBDRO COCC(C)(C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000425281657 274017142 /nfs/dbraw/zinc/01/71/42/274017142.db2.gz QCLBBUUWGXGNID-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000285619113 274039032 /nfs/dbraw/zinc/03/90/32/274039032.db2.gz QNJAEBYKFHOSIZ-JLSDUUJJSA-N 1 0 344.415 2.625 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285624585 274040254 /nfs/dbraw/zinc/04/02/54/274040254.db2.gz KNIOSLJWPCZQFH-AAEUAGOBSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285624593 274040285 /nfs/dbraw/zinc/04/02/85/274040285.db2.gz KNIOSLJWPCZQFH-YPMHNXCESA-N 1 0 336.367 2.824 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000285627936 274041025 /nfs/dbraw/zinc/04/10/25/274041025.db2.gz YNVBWVZEINBWOQ-UHFFFAOYSA-N 1 0 348.399 2.852 20 5 EFBDRO Cc1noc([C@H]2CCCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000285649314 274045091 /nfs/dbraw/zinc/04/50/91/274045091.db2.gz MEXBBTXOJOYHBM-HUUCEWRRSA-N 1 0 332.360 2.547 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285649977 274045338 /nfs/dbraw/zinc/04/53/38/274045338.db2.gz CFJKXLVJERHFRO-UHFFFAOYSA-N 1 0 345.399 2.711 20 5 EFBDRO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000373468261 274073387 /nfs/dbraw/zinc/07/33/87/274073387.db2.gz JIIHHGLPDNXRSC-KRWDZBQOSA-N 1 0 336.388 2.852 20 5 EFBDRO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000285785035 274074426 /nfs/dbraw/zinc/07/44/26/274074426.db2.gz OKGYEJLAKCVXEF-OUAUKWLOSA-N 1 0 331.376 2.671 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000285835850 274084289 /nfs/dbraw/zinc/08/42/89/274084289.db2.gz XZZOWGRMTQWEOR-RISCZKNCSA-N 1 0 347.337 2.509 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000285873411 274091530 /nfs/dbraw/zinc/09/15/30/274091530.db2.gz QLCDMJLUNVWRKP-WMLDXEAASA-N 1 0 331.416 2.613 20 5 EFBDRO CCc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285893886 274095563 /nfs/dbraw/zinc/09/55/63/274095563.db2.gz RPIQLBUXHUVVOQ-BBRMVZONSA-N 1 0 331.416 2.856 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000286057578 274125068 /nfs/dbraw/zinc/12/50/68/274125068.db2.gz LFXAUVKFJJXELK-GFCCVEGCSA-N 1 0 341.367 2.819 20 5 EFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[N@@H+]1CCOC ZINC000286062822 274125865 /nfs/dbraw/zinc/12/58/65/274125865.db2.gz APIBUQKGIJZUJT-MRXNPFEDSA-N 1 0 349.431 2.735 20 5 EFBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286080160 274129412 /nfs/dbraw/zinc/12/94/12/274129412.db2.gz CVLPQLBWHCBXPZ-FKEKPDDDSA-N 1 0 331.416 2.611 20 5 EFBDRO Cc1c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000286082485 274129993 /nfs/dbraw/zinc/12/99/93/274129993.db2.gz DBGWORLXHASVNR-XYPWUTKMSA-N 1 0 331.416 2.529 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000450415501 274140393 /nfs/dbraw/zinc/14/03/93/274140393.db2.gz BLDTVTFNHQGJHO-RYUDHWBXSA-N 1 0 330.388 2.680 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](CC2CC2)CC1 ZINC000450266240 274140458 /nfs/dbraw/zinc/14/04/58/274140458.db2.gz OXLTUMHDEMETMD-UHFFFAOYSA-N 1 0 342.399 2.684 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000286224938 274157133 /nfs/dbraw/zinc/15/71/33/274157133.db2.gz BONXEXYJPXOJCJ-GFCCVEGCSA-N 1 0 325.359 2.791 20 5 EFBDRO Nc1ccc(NCC2([NH+]3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000286253875 274162987 /nfs/dbraw/zinc/16/29/87/274162987.db2.gz VKZNCXMMAYVPMD-UHFFFAOYSA-N 1 0 336.461 2.951 20 5 EFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000286258643 274163869 /nfs/dbraw/zinc/16/38/69/274163869.db2.gz DHSUNYKZFCTMDI-ZBEGNZNMSA-N 1 0 325.359 2.789 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH2+]C2CCCCC2)n1 ZINC000286307787 274174205 /nfs/dbraw/zinc/17/42/05/274174205.db2.gz YVOPCKXXKVTNEU-UHFFFAOYSA-N 1 0 336.392 2.501 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119354723 274206437 /nfs/dbraw/zinc/20/64/37/274206437.db2.gz ZUEGZHPXSSRTBI-GXTWGEPZSA-N 1 0 335.404 2.859 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286671876 274247818 /nfs/dbraw/zinc/24/78/18/274247818.db2.gz KRNWKACZWYOZOU-MRXNPFEDSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000286740195 274263157 /nfs/dbraw/zinc/26/31/57/274263157.db2.gz YBPKXQGWLGTKIH-QWHCGFSZSA-N 1 0 332.322 2.896 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000286823983 274280675 /nfs/dbraw/zinc/28/06/75/274280675.db2.gz CPCAQDQWRLMTAB-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286891991 274294652 /nfs/dbraw/zinc/29/46/52/274294652.db2.gz LGBHESGHIXBYAB-GUYCJALGSA-N 1 0 347.415 2.520 20 5 EFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357737933 274295161 /nfs/dbraw/zinc/29/51/61/274295161.db2.gz GCJZBWIWWSUBIM-UONOGXRCSA-N 1 0 331.416 2.994 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(C)=O)C[C@H]1[NH+]1CCCC1 ZINC000286904893 274297461 /nfs/dbraw/zinc/29/74/61/274297461.db2.gz PGSZNLGYXMXQEO-IAGOWNOFSA-N 1 0 349.456 2.813 20 5 EFBDRO Cc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286930270 274303196 /nfs/dbraw/zinc/30/31/96/274303196.db2.gz LJAUAUVVCVMWEK-JSGCOSHPSA-N 1 0 332.404 2.994 20 5 EFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000286951577 274307973 /nfs/dbraw/zinc/30/79/73/274307973.db2.gz MQMDWXITOWFKSR-CYBMUJFWSA-N 1 0 344.358 2.844 20 5 EFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000286951579 274307991 /nfs/dbraw/zinc/30/79/91/274307991.db2.gz MQMDWXITOWFKSR-ZDUSSCGKSA-N 1 0 344.358 2.844 20 5 EFBDRO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286985203 274315310 /nfs/dbraw/zinc/31/53/10/274315310.db2.gz DMUZUKAUJUQPAI-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000287019564 274323367 /nfs/dbraw/zinc/32/33/67/274323367.db2.gz IERZLYSKMPBSBO-LRDDRELGSA-N 1 0 343.387 2.803 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287101409 274342181 /nfs/dbraw/zinc/34/21/81/274342181.db2.gz WVOUQMWESZBOHN-ONXXMXGDSA-N 1 0 348.403 2.692 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287138932 274351589 /nfs/dbraw/zinc/35/15/89/274351589.db2.gz ZCZKHAUXYPXUMS-UKRRQHHQSA-N 1 0 332.404 2.994 20 5 EFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287224302 274371890 /nfs/dbraw/zinc/37/18/90/274371890.db2.gz VNKJXCFYSRUQDT-UHFFFAOYSA-N 1 0 347.375 2.569 20 5 EFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287244603 274376850 /nfs/dbraw/zinc/37/68/50/274376850.db2.gz RFGQAMFZOKDMPZ-CZUORRHYSA-N 1 0 349.456 2.772 20 5 EFBDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000287293529 274387318 /nfs/dbraw/zinc/38/73/18/274387318.db2.gz ZQFBTSPUUONFKJ-CQSZACIVSA-N 1 0 347.350 2.553 20 5 EFBDRO C[NH+](C)CCOc1ccc(CCNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000287831346 274492362 /nfs/dbraw/zinc/49/23/62/274492362.db2.gz KSTZIRAAWUYOKL-UHFFFAOYSA-N 1 0 344.415 2.772 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000449121862 274498846 /nfs/dbraw/zinc/49/88/46/274498846.db2.gz IXHWNFSYPZSJPK-RHSMWYFYSA-N 1 0 339.395 2.921 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000288218976 274550499 /nfs/dbraw/zinc/55/04/99/274550499.db2.gz DPNXOGWEDFTWIW-PBHICJAKSA-N 1 0 345.443 2.958 20 5 EFBDRO Cc1nc(NCc2ccncc2OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000288220202 274550838 /nfs/dbraw/zinc/55/08/38/274550838.db2.gz MPZQMIIELAGLEH-UHFFFAOYSA-N 1 0 345.403 2.636 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288485880 274602822 /nfs/dbraw/zinc/60/28/22/274602822.db2.gz RFVLSGUNIYLELI-TZMCWYRMSA-N 1 0 342.399 2.775 20 5 EFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420263903 274711873 /nfs/dbraw/zinc/71/18/73/274711873.db2.gz TVOBMYWXIAKKBS-QWRGUYRKSA-N 1 0 329.322 2.968 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289181159 274719197 /nfs/dbraw/zinc/71/91/97/274719197.db2.gz IHMBKJDTQBVOIN-QGZVFWFLSA-N 1 0 329.356 2.557 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000362616455 274763590 /nfs/dbraw/zinc/76/35/90/274763590.db2.gz MJLYIEWWXJWCOC-UHFFFAOYSA-N 1 0 332.404 2.995 20 5 EFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000375717199 274893152 /nfs/dbraw/zinc/89/31/52/274893152.db2.gz DEVRJAZTOLMQAR-KDOFPFPSSA-N 1 0 341.415 2.574 20 5 EFBDRO O=C1[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177530269 275028060 /nfs/dbraw/zinc/02/80/60/275028060.db2.gz JAEBRDDKCYYILM-VBQJREDUSA-N 1 0 329.400 2.822 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266265225 275032953 /nfs/dbraw/zinc/03/29/53/275032953.db2.gz QAUDMUKXBCYEOP-GFCCVEGCSA-N 1 0 338.205 2.808 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)nc1-c1ccc(F)cc1 ZINC000420200547 275034982 /nfs/dbraw/zinc/03/49/82/275034982.db2.gz XJTJHXFKLVMENO-GFCCVEGCSA-N 1 0 330.363 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(C(F)(F)F)c1 ZINC000264028767 275036223 /nfs/dbraw/zinc/03/62/23/275036223.db2.gz ZHAQJRRDEOSPDA-UHFFFAOYSA-N 1 0 347.337 2.508 20 5 EFBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367774490 275039317 /nfs/dbraw/zinc/03/93/17/275039317.db2.gz ZZODHRUEMPZZMB-LBPRGKRZSA-N 1 0 325.796 2.913 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)c1ccco1 ZINC000186524779 533689401 /nfs/dbraw/zinc/68/94/01/533689401.db2.gz PUHPOOMCZNZYEO-IUODEOHRSA-N 1 0 347.371 2.618 20 5 EFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449753430 275879442 /nfs/dbraw/zinc/87/94/42/275879442.db2.gz OJVKYKJIQJDTKO-CYBMUJFWSA-N 1 0 346.412 2.589 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173781414 276109681 /nfs/dbraw/zinc/10/96/81/276109681.db2.gz SRTBGBFOEWEPKE-LSDHHAIUSA-N 1 0 348.447 2.586 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412148372 276120454 /nfs/dbraw/zinc/12/04/54/276120454.db2.gz IGTSNHVUJJONHG-YESZJQIVSA-N 1 0 331.416 2.641 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000110995846 276160041 /nfs/dbraw/zinc/16/00/41/276160041.db2.gz UYTQUWBNIWBURP-AWEZNQCLSA-N 1 0 337.445 2.678 20 5 EFBDRO CC[NH2+]CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000233508028 276264374 /nfs/dbraw/zinc/26/43/74/276264374.db2.gz RGIJMNQFMQBURS-UHFFFAOYSA-N 1 0 343.225 2.578 20 5 EFBDRO CCC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346677100 276276571 /nfs/dbraw/zinc/27/65/71/276276571.db2.gz VEGQSDFISYDULA-CYBMUJFWSA-N 1 0 342.827 2.580 20 5 EFBDRO CCOc1cccc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000184119807 276381152 /nfs/dbraw/zinc/38/11/52/276381152.db2.gz RHQZXCCFHNQFQB-UHFFFAOYSA-N 1 0 349.431 2.542 20 5 EFBDRO CCc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000367351645 276666012 /nfs/dbraw/zinc/66/60/12/276666012.db2.gz MWCAYWQTQCLWSD-UHFFFAOYSA-N 1 0 331.416 2.858 20 5 EFBDRO C[NH+](C)[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000375933910 276870883 /nfs/dbraw/zinc/87/08/83/276870883.db2.gz PZKCKIDRYGEVTH-NSHDSACASA-N 1 0 343.225 2.673 20 5 EFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000449331075 277018342 /nfs/dbraw/zinc/01/83/42/277018342.db2.gz XCMVSLYFDNWAEN-QCSYZSNVSA-N 1 0 345.443 2.762 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000351992869 277037826 /nfs/dbraw/zinc/03/78/26/277037826.db2.gz FPVIXQJZFVGYLP-UHFFFAOYSA-N 1 0 342.399 2.777 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000377249065 277042068 /nfs/dbraw/zinc/04/20/68/277042068.db2.gz IYSATKKWRCUMAA-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@H]21 ZINC000360868800 277070338 /nfs/dbraw/zinc/07/03/38/277070338.db2.gz BFZCUVRZHAGKEL-UKRRQHHQSA-N 1 0 343.387 2.565 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000338740027 277087392 /nfs/dbraw/zinc/08/73/92/277087392.db2.gz ACAONQFCFRDEBI-KRWDZBQOSA-N 1 0 343.387 2.567 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000428177775 277183325 /nfs/dbraw/zinc/18/33/25/277183325.db2.gz RJMIOQYFTHAKNK-HIFRSBDPSA-N 1 0 343.387 2.565 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281429 277244225 /nfs/dbraw/zinc/24/42/25/277244225.db2.gz JECWGOYSLXSMST-DAXOMENPSA-N 1 0 331.416 2.822 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040602019 277275903 /nfs/dbraw/zinc/27/59/03/277275903.db2.gz LYGAJVUOSDHBTB-JTQLQIEISA-N 1 0 328.210 2.793 20 5 EFBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000179664591 277703111 /nfs/dbraw/zinc/70/31/11/277703111.db2.gz CKUZECZAVCFBSF-AWEZNQCLSA-N 1 0 345.399 2.895 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000457052503 278219530 /nfs/dbraw/zinc/21/95/30/278219530.db2.gz AFLVDULZJBDBMP-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000182073383 278241763 /nfs/dbraw/zinc/24/17/63/278241763.db2.gz IEEZIVSMBVWBGM-ZDUSSCGKSA-N 1 0 345.374 2.984 20 5 EFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000370636278 278476176 /nfs/dbraw/zinc/47/61/76/278476176.db2.gz SJHAMXRBVKHXDC-WCQYABFASA-N 1 0 337.807 2.947 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435236072 278559149 /nfs/dbraw/zinc/55/91/49/278559149.db2.gz HPNYDMMFHRXVRP-AWEZNQCLSA-N 1 0 331.416 2.859 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000375792831 278900411 /nfs/dbraw/zinc/90/04/11/278900411.db2.gz QZGLELVLYSCGDA-CXAGYDPISA-N 1 0 347.415 2.520 20 5 EFBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)o1 ZINC000447581471 279082190 /nfs/dbraw/zinc/08/21/90/279082190.db2.gz URUCCWRNFWVSIF-CABCVRRESA-N 1 0 333.392 2.712 20 5 EFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195441858 279101503 /nfs/dbraw/zinc/10/15/03/279101503.db2.gz OMSXRRJWLVZZLK-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])CC(C)C ZINC000339970776 279165570 /nfs/dbraw/zinc/16/55/70/279165570.db2.gz RFHPLODDGRKIJS-ZDUSSCGKSA-N 1 0 336.436 2.862 20 5 EFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000359330800 279304708 /nfs/dbraw/zinc/30/47/08/279304708.db2.gz ORENTMNDWGJLJC-CYBMUJFWSA-N 1 0 337.395 2.657 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133514779 279323340 /nfs/dbraw/zinc/32/33/40/279323340.db2.gz DAJIIBXEGKLXQP-FRRDWIJNSA-N 1 0 337.395 2.830 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365736735 279506108 /nfs/dbraw/zinc/50/61/08/279506108.db2.gz UPPHLHLHTCAKDV-DZGCQCFKSA-N 1 0 329.404 2.648 20 5 EFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418762872 279840373 /nfs/dbraw/zinc/84/03/73/279840373.db2.gz HQJQBPXKKZPYQI-HNNXBMFYSA-N 1 0 346.431 2.801 20 5 EFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346126971 280101104 /nfs/dbraw/zinc/10/11/04/280101104.db2.gz GYVSKCUOEPKAQO-WFASDCNBSA-N 1 0 342.399 2.775 20 5 EFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC[C@@H]1O ZINC000447589167 280157881 /nfs/dbraw/zinc/15/78/81/280157881.db2.gz XDBLUPDJKXQDIN-WBTNSWJXSA-N 1 0 336.436 2.806 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261768045 280192022 /nfs/dbraw/zinc/19/20/22/280192022.db2.gz MDMBEZQGFCDFIQ-GFCCVEGCSA-N 1 0 335.747 2.628 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000113601528 280251882 /nfs/dbraw/zinc/25/18/82/280251882.db2.gz CPHDNFYQBBIUFE-MRXNPFEDSA-N 1 0 348.447 2.701 20 5 EFBDRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054395353 280270122 /nfs/dbraw/zinc/27/01/22/280270122.db2.gz KPGQIKKPBOPCBD-KRWDZBQOSA-N 1 0 325.368 2.658 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000428541794 280364292 /nfs/dbraw/zinc/36/42/92/280364292.db2.gz CTOONODKUWZKFK-MSOLQXFVSA-N 1 0 330.359 2.990 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000354720723 280374358 /nfs/dbraw/zinc/37/43/58/280374358.db2.gz PATFTTHRZKYALK-VCPQXCNPSA-N 1 0 332.400 2.518 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423635251 280397539 /nfs/dbraw/zinc/39/75/39/280397539.db2.gz DWRNTRICGHRJSK-SFHVURJKSA-N 1 0 331.416 2.736 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000268817245 281009683 /nfs/dbraw/zinc/00/96/83/281009683.db2.gz NZABXNQBYNBTNT-HUUCEWRRSA-N 1 0 348.447 2.624 20 5 EFBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067269847 292694002 /nfs/dbraw/zinc/69/40/02/292694002.db2.gz KUCOPIUMERCTLS-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074331757 292734340 /nfs/dbraw/zinc/73/43/40/292734340.db2.gz VCLXYVMGGSRZJB-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000410592850 290240972 /nfs/dbraw/zinc/24/09/72/290240972.db2.gz QEPUWUUMYRREPY-ZBFHGGJFSA-N 1 0 345.443 2.815 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000121012084 292936329 /nfs/dbraw/zinc/93/63/29/292936329.db2.gz PCRJKDLBLVPUHE-SJORKVTESA-N 1 0 334.416 2.701 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000122839692 292970639 /nfs/dbraw/zinc/97/06/39/292970639.db2.gz JRFBVDOPDSTPCW-NSHDSACASA-N 1 0 338.408 2.701 20 5 EFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000126300404 293034545 /nfs/dbraw/zinc/03/45/45/293034545.db2.gz WXXMVVFNOPOMNF-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000128663689 293111395 /nfs/dbraw/zinc/11/13/95/293111395.db2.gz YBOUASWTJOYCSX-NSHDSACASA-N 1 0 334.420 2.868 20 5 EFBDRO COc1cc(C[NH2+]CCNc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000133506013 293259299 /nfs/dbraw/zinc/25/92/99/293259299.db2.gz JZIKSHYICWCLLQ-UHFFFAOYSA-N 1 0 346.387 2.517 20 5 EFBDRO Cn1cc(C[NH2+]C[C@@H]2CCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152608958 293341490 /nfs/dbraw/zinc/34/14/90/293341490.db2.gz IHUMKWSBWUCVFA-HNNXBMFYSA-N 1 0 332.429 2.981 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153812237 293395037 /nfs/dbraw/zinc/39/50/37/293395037.db2.gz XFTLMROWVFFUBW-ZFWWWQNUSA-N 1 0 338.404 2.840 20 5 EFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255771934 293884589 /nfs/dbraw/zinc/88/45/89/293884589.db2.gz KSQCBIFQYBBRAP-QWGSZXSUSA-N 1 0 343.427 2.942 20 5 EFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000289862560 293930354 /nfs/dbraw/zinc/93/03/54/293930354.db2.gz QPNFPKUIEVXSDW-UKRRQHHQSA-N 1 0 349.431 2.671 20 5 EFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290110332 294001731 /nfs/dbraw/zinc/00/17/31/294001731.db2.gz IQYVPLAZPQZIMF-UONOGXRCSA-N 1 0 336.436 2.630 20 5 EFBDRO CC(C)(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000290130890 294007153 /nfs/dbraw/zinc/00/71/53/294007153.db2.gz LTIRWPXWVAZNET-HNNXBMFYSA-N 1 0 345.443 2.721 20 5 EFBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290166776 294016756 /nfs/dbraw/zinc/01/67/56/294016756.db2.gz MIJACIGKAQTQJW-CJNGLKHVSA-N 1 0 343.387 2.558 20 5 EFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290415790 294080896 /nfs/dbraw/zinc/08/08/96/294080896.db2.gz ULCUGOJTIYJPDQ-OAHLLOKOSA-N 1 0 328.434 2.849 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000290644455 294144636 /nfs/dbraw/zinc/14/46/36/294144636.db2.gz IFAABEHIVZAAKG-SECBINFHSA-N 1 0 331.214 2.893 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000290843377 294200828 /nfs/dbraw/zinc/20/08/28/294200828.db2.gz JBLSZPGJMGQEHH-UHFFFAOYSA-N 1 0 349.214 2.780 20 5 EFBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])OC ZINC000290844431 294201328 /nfs/dbraw/zinc/20/13/28/294201328.db2.gz IPCMGZRPLHIFGT-LLVKDONJSA-N 1 0 348.346 2.762 20 5 EFBDRO CC(C)NC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000290865975 294206831 /nfs/dbraw/zinc/20/68/31/294206831.db2.gz ZDURZDMPSMLDMU-TZMCWYRMSA-N 1 0 346.431 2.770 20 5 EFBDRO C[C@H]1C[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290871276 294208254 /nfs/dbraw/zinc/20/82/54/294208254.db2.gz ZSTQVZSJAGDHPD-FZMZJTMJSA-N 1 0 344.415 2.524 20 5 EFBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290893541 294214170 /nfs/dbraw/zinc/21/41/70/294214170.db2.gz NEDOQJYBUZKEBS-CYBMUJFWSA-N 1 0 337.203 2.779 20 5 EFBDRO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000290920378 294220778 /nfs/dbraw/zinc/22/07/78/294220778.db2.gz IFQKSFFSSLQBDH-SJKOYZFVSA-N 1 0 342.399 2.797 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000291033338 294254033 /nfs/dbraw/zinc/25/40/33/294254033.db2.gz UEXQZFFOXAVQBX-CYBMUJFWSA-N 1 0 346.431 2.855 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291154546 294292789 /nfs/dbraw/zinc/29/27/89/294292789.db2.gz BRUCFZVPTXFHSB-GOSISDBHSA-N 1 0 330.359 2.870 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291163416 294295542 /nfs/dbraw/zinc/29/55/42/294295542.db2.gz GAFOAXHCNVDUAE-LJQANCHMSA-N 1 0 326.396 2.773 20 5 EFBDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000291977283 294540420 /nfs/dbraw/zinc/54/04/20/294540420.db2.gz WQSXDXRCWNMIKH-KRWDZBQOSA-N 1 0 345.374 2.696 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000292059892 294566017 /nfs/dbraw/zinc/56/60/17/294566017.db2.gz KBCVZOVGJLDSQH-SECBINFHSA-N 1 0 333.310 2.861 20 5 EFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292907014 294821870 /nfs/dbraw/zinc/82/18/70/294821870.db2.gz FDYAQXNYUHXCNT-SCLBCKFNSA-N 1 0 344.415 2.636 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000293213927 294909598 /nfs/dbraw/zinc/90/95/98/294909598.db2.gz XRJKEOYZZPMXDJ-CQSZACIVSA-N 1 0 347.415 2.694 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293254272 294921561 /nfs/dbraw/zinc/92/15/61/294921561.db2.gz WTQGJCQKLMMMOW-UHFFFAOYSA-N 1 0 326.828 2.686 20 5 EFBDRO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000293256908 294922226 /nfs/dbraw/zinc/92/22/26/294922226.db2.gz FYHNRCIPTQFKSN-VXGBXAGGSA-N 1 0 325.434 2.709 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(F)(F)C1 ZINC000293637333 295016706 /nfs/dbraw/zinc/01/67/06/295016706.db2.gz KPOIWZDXFCKEKO-SNVBAGLBSA-N 1 0 327.331 2.947 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000293639690 295016879 /nfs/dbraw/zinc/01/68/79/295016879.db2.gz HFQRINKSZWZEIO-LBPRGKRZSA-N 1 0 335.379 2.680 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293662764 295022350 /nfs/dbraw/zinc/02/23/50/295022350.db2.gz PSUDOXGNOJYQFA-GFCCVEGCSA-N 1 0 335.404 2.940 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293733303 295037906 /nfs/dbraw/zinc/03/79/06/295037906.db2.gz MZPRZSPIOITCTG-OLZOCXBDSA-N 1 0 342.399 2.533 20 5 EFBDRO COc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293780009 295047795 /nfs/dbraw/zinc/04/77/95/295047795.db2.gz WATCZWOBLRAWFN-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)N1C ZINC000293861461 295066311 /nfs/dbraw/zinc/06/63/11/295066311.db2.gz BFBOREMJUUCOBK-AOOOYVTPSA-N 1 0 345.321 2.778 20 5 EFBDRO COc1cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293911279 295077273 /nfs/dbraw/zinc/07/72/73/295077273.db2.gz FYYCBSJXUDKTMB-QZTJIDSGSA-N 1 0 348.399 2.755 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[NH+](C)C ZINC000293923530 295080301 /nfs/dbraw/zinc/08/03/01/295080301.db2.gz STURXBKQRJGFDN-CQSZACIVSA-N 1 0 348.447 2.513 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCC1 ZINC000293975488 295090978 /nfs/dbraw/zinc/09/09/78/295090978.db2.gz RDPILMRFYTXDSX-DHZHZOJOSA-N 1 0 331.416 2.990 20 5 EFBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000293994602 295095271 /nfs/dbraw/zinc/09/52/71/295095271.db2.gz JCEFXTLQYHOKSZ-AWEZNQCLSA-N 1 0 333.417 2.822 20 5 EFBDRO CSc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000294161380 295120803 /nfs/dbraw/zinc/12/08/03/295120803.db2.gz RMSFSQZVVSKGCE-CYBMUJFWSA-N 1 0 335.433 2.765 20 5 EFBDRO CSC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000294186241 295124435 /nfs/dbraw/zinc/12/44/35/295124435.db2.gz XDLZVADRRJUXNZ-UHFFFAOYSA-N 1 0 349.456 2.638 20 5 EFBDRO CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000294262600 295137161 /nfs/dbraw/zinc/13/71/61/295137161.db2.gz GBURCGLFOBTXML-ZDUSSCGKSA-N 1 0 349.412 2.942 20 5 EFBDRO CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000294262595 295137191 /nfs/dbraw/zinc/13/71/91/295137191.db2.gz GBURCGLFOBTXML-CYBMUJFWSA-N 1 0 349.412 2.942 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294369694 295155185 /nfs/dbraw/zinc/15/51/85/295155185.db2.gz QUSQHUGGWAULNU-MCIONIFRSA-N 1 0 340.445 2.595 20 5 EFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294627238 295196609 /nfs/dbraw/zinc/19/66/09/295196609.db2.gz YLSBCJFGCCEJLE-UHFFFAOYSA-N 1 0 347.459 2.911 20 5 EFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294653521 295201157 /nfs/dbraw/zinc/20/11/57/295201157.db2.gz PWOGAATZEHRIOC-UHFFFAOYSA-N 1 0 335.448 2.979 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000294754298 295221095 /nfs/dbraw/zinc/22/10/95/295221095.db2.gz DLEBFSFGPHEFSE-NSHDSACASA-N 1 0 337.807 2.771 20 5 EFBDRO Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000294799843 295229620 /nfs/dbraw/zinc/22/96/20/295229620.db2.gz BYNXQAFQFAZEFL-UHFFFAOYSA-N 1 0 337.420 2.709 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294876332 295239995 /nfs/dbraw/zinc/23/99/95/295239995.db2.gz PRYQWYOSLCEVOT-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CSC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000294881052 295240504 /nfs/dbraw/zinc/24/05/04/295240504.db2.gz UTXKKGNIDLLJBT-NSHDSACASA-N 1 0 325.434 2.740 20 5 EFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295000822 295256052 /nfs/dbraw/zinc/25/60/52/295256052.db2.gz VXZRYOVKEOTFIE-VIFPVBQESA-N 1 0 333.310 2.684 20 5 EFBDRO Cc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000295004971 295256673 /nfs/dbraw/zinc/25/66/73/295256673.db2.gz AJKSMPSJQASAQP-HNNXBMFYSA-N 1 0 327.388 2.942 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295010722 295257237 /nfs/dbraw/zinc/25/72/37/295257237.db2.gz CRTMIEORZWNWAC-DOTOQJQBSA-N 1 0 347.459 2.991 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295021481 295258582 /nfs/dbraw/zinc/25/85/82/295258582.db2.gz HLNSCYHQLMFKOJ-NSHDSACASA-N 1 0 325.796 2.723 20 5 EFBDRO COc1cc(CN(C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000295053640 295262224 /nfs/dbraw/zinc/26/22/24/295262224.db2.gz NSUGMKPNMWKLMG-MRXNPFEDSA-N 1 0 346.383 2.777 20 5 EFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295121136 295270568 /nfs/dbraw/zinc/27/05/68/295270568.db2.gz WURFRGZMRZYVFK-WBVHZDCISA-N 1 0 347.459 2.849 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295126404 295271370 /nfs/dbraw/zinc/27/13/70/295271370.db2.gz NZHSQAVDVVKJCZ-KRWDZBQOSA-N 1 0 348.374 2.826 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000295167534 295277340 /nfs/dbraw/zinc/27/73/40/295277340.db2.gz HXIMQFSMPUIKSD-GVDBMIGSSA-N 1 0 334.416 2.956 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000295216209 295283570 /nfs/dbraw/zinc/28/35/70/295283570.db2.gz AOOHDSRGTBFYSP-VIFPVBQESA-N 1 0 333.310 2.541 20 5 EFBDRO COc1cccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000344767871 295284909 /nfs/dbraw/zinc/28/49/09/295284909.db2.gz FYEKIJHMLFULFL-CYBMUJFWSA-N 1 0 347.415 2.550 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000295229719 295285191 /nfs/dbraw/zinc/28/51/91/295285191.db2.gz NSMJDNMWSOUIGE-ZDUSSCGKSA-N 1 0 338.404 2.595 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000295239352 295286575 /nfs/dbraw/zinc/28/65/75/295286575.db2.gz OUQONKGQPZCIER-ZDUSSCGKSA-N 1 0 337.420 2.528 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000295254812 295288531 /nfs/dbraw/zinc/28/85/31/295288531.db2.gz QQIXRCBYKLDFBK-AWEZNQCLSA-N 1 0 348.447 2.688 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C2CC2)c1 ZINC000295315795 295299182 /nfs/dbraw/zinc/29/91/82/295299182.db2.gz GKGMQKKWQAVFJN-ZDUSSCGKSA-N 1 0 327.384 2.985 20 5 EFBDRO CC(C)(CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000295330943 295301864 /nfs/dbraw/zinc/30/18/64/295301864.db2.gz UBSWHHZANCANGR-MRXNPFEDSA-N 1 0 333.432 2.603 20 5 EFBDRO C[C@H](CC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295345581 295304363 /nfs/dbraw/zinc/30/43/63/295304363.db2.gz IGJDLLUMBSIRCI-GFCCVEGCSA-N 1 0 328.434 2.783 20 5 EFBDRO C[C@H]1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000295412761 295316218 /nfs/dbraw/zinc/31/62/18/295316218.db2.gz UMFHQMSLIOQXIW-GOEBONIOSA-N 1 0 333.432 2.601 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H]([NH+](C)C)C1 ZINC000295539355 295337731 /nfs/dbraw/zinc/33/77/31/295337731.db2.gz ODKMGJFLIILZNO-GFCCVEGCSA-N 1 0 330.388 2.682 20 5 EFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000295691207 295361438 /nfs/dbraw/zinc/36/14/38/295361438.db2.gz WOZABWJRPSZQJX-MRXNPFEDSA-N 1 0 337.807 2.806 20 5 EFBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295737717 295368446 /nfs/dbraw/zinc/36/84/46/295368446.db2.gz WKVPIVHFBVGDSC-OFQRWUPVSA-N 1 0 339.395 2.937 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295756053 295371537 /nfs/dbraw/zinc/37/15/37/295371537.db2.gz HJGPMKVLDLDGKF-RISCZKNCSA-N 1 0 339.823 2.969 20 5 EFBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295759909 295371964 /nfs/dbraw/zinc/37/19/64/295371964.db2.gz VQVUWFOAYMBKJX-NSHDSACASA-N 1 0 337.807 2.805 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000295830872 295382155 /nfs/dbraw/zinc/38/21/55/295382155.db2.gz CLAQPGNMDAKETM-CSMYWGQOSA-N 1 0 347.415 2.635 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000295830891 295382296 /nfs/dbraw/zinc/38/22/96/295382296.db2.gz CLAQPGNMDAKETM-JLZZUVOBSA-N 1 0 347.415 2.635 20 5 EFBDRO C[C@H](c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295836777 295383531 /nfs/dbraw/zinc/38/35/31/295383531.db2.gz AGANHCALYUOJTP-CHWSQXEVSA-N 1 0 348.447 2.852 20 5 EFBDRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000295971868 295404765 /nfs/dbraw/zinc/40/47/65/295404765.db2.gz IPFOKAXUHPYMCE-LBPRGKRZSA-N 1 0 334.397 2.849 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000296007537 295410746 /nfs/dbraw/zinc/41/07/46/295410746.db2.gz LBPCANGTDHAKKW-CQSZACIVSA-N 1 0 348.447 2.648 20 5 EFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])cc1F ZINC000296041231 295416083 /nfs/dbraw/zinc/41/60/83/295416083.db2.gz ODDSQROMRYTWQF-HFBAOOFYSA-N 1 0 336.363 2.790 20 5 EFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296228302 295444676 /nfs/dbraw/zinc/44/46/76/295444676.db2.gz AFPLWYDYOCXTQI-KSSFIOAISA-N 1 0 347.459 2.754 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCO[C@H]21 ZINC000296334268 295460172 /nfs/dbraw/zinc/46/01/72/295460172.db2.gz QWRQWKPNJOSUMC-NWANDNLSSA-N 1 0 344.371 2.548 20 5 EFBDRO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296362632 295464506 /nfs/dbraw/zinc/46/45/06/295464506.db2.gz IKPMOIACOBZKKU-ZDUSSCGKSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296384266 295468397 /nfs/dbraw/zinc/46/83/97/295468397.db2.gz FXGLPMXIHFADSN-JGGQBBKZSA-N 1 0 334.420 2.828 20 5 EFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262511378 297232488 /nfs/dbraw/zinc/23/24/88/297232488.db2.gz NXXWMFYLUSHZTL-CHWSQXEVSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000237523998 297362610 /nfs/dbraw/zinc/36/26/10/297362610.db2.gz RZABOEFLBYFOIE-BETUJISGSA-N 1 0 348.447 2.544 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000447544474 298791530 /nfs/dbraw/zinc/79/15/30/298791530.db2.gz VPCLBNFMLIRLSA-IXDOHACOSA-N 1 0 349.479 2.985 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000449154065 298919352 /nfs/dbraw/zinc/91/93/52/298919352.db2.gz LROFWALKKPWMNI-BMFZPTHFSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000181094770 300484616 /nfs/dbraw/zinc/48/46/16/300484616.db2.gz OUQUKIJIIWTIOT-KBPBESRZSA-N 1 0 348.447 2.546 20 5 EFBDRO [NH3+]CCN(Cc1ccnn1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000449321216 303381440 /nfs/dbraw/zinc/38/14/40/303381440.db2.gz RLIPQBASFZQOKM-UHFFFAOYSA-N 1 0 329.404 2.872 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000162778839 310721293 /nfs/dbraw/zinc/72/12/93/310721293.db2.gz LAHRIRMRLMVGQM-ZJUUUORDSA-N 1 0 346.330 2.719 20 5 EFBDRO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171743458 310751246 /nfs/dbraw/zinc/75/12/46/310751246.db2.gz FRYBKMZUBXVWEX-ZDUSSCGKSA-N 1 0 334.420 2.639 20 5 EFBDRO CCc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000180096281 310795214 /nfs/dbraw/zinc/79/52/14/310795214.db2.gz COJWZGBHSYHBAQ-UHFFFAOYSA-N 1 0 329.400 2.844 20 5 EFBDRO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447805 310799506 /nfs/dbraw/zinc/79/95/06/310799506.db2.gz YVECSEMLEUIYSB-LBPRGKRZSA-N 1 0 342.355 2.594 20 5 EFBDRO [NH3+]CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000297280104 310875439 /nfs/dbraw/zinc/87/54/39/310875439.db2.gz TZFVNFPSJPMOIY-UHFFFAOYSA-N 1 0 346.412 2.529 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000297303970 310878578 /nfs/dbraw/zinc/87/85/78/310878578.db2.gz HYCFSXQXKUKOAX-KBPBESRZSA-N 1 0 334.420 2.782 20 5 EFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000297477437 310899606 /nfs/dbraw/zinc/89/96/06/310899606.db2.gz ZHXXDZKCCGHORQ-LDYMZIIASA-N 1 0 331.294 2.565 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000298860458 311029335 /nfs/dbraw/zinc/02/93/35/311029335.db2.gz NZCFAXJHYIHZHG-LBPRGKRZSA-N 1 0 337.445 2.778 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000298873447 311030764 /nfs/dbraw/zinc/03/07/64/311030764.db2.gz VYDFFRHZYMNUSJ-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO O=C(CC[NH2+][C@@H](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000298978829 311039271 /nfs/dbraw/zinc/03/92/71/311039271.db2.gz PKRHIAFXRLIPFG-HNNXBMFYSA-N 1 0 349.431 2.844 20 5 EFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299004907 311041225 /nfs/dbraw/zinc/04/12/25/311041225.db2.gz KFQZKYDNXDZSGV-UHFFFAOYSA-N 1 0 346.387 2.896 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000299039524 311044396 /nfs/dbraw/zinc/04/43/96/311044396.db2.gz ZRULNTTVYNKDQL-VBNZEHGJSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000299107814 311051642 /nfs/dbraw/zinc/05/16/42/311051642.db2.gz YCSZHNYVXFMZMW-KDOFPFPSSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299119136 311053199 /nfs/dbraw/zinc/05/31/99/311053199.db2.gz DZQSNJVMRSCFPE-AWEZNQCLSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000299198167 311060830 /nfs/dbraw/zinc/06/08/30/311060830.db2.gz RCLKTGBCMQWZHI-IIDMSEBBSA-N 1 0 333.432 2.668 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C[NH+]1CCCC1 ZINC000299242551 311064784 /nfs/dbraw/zinc/06/47/84/311064784.db2.gz LMBCEVPZFXKUNR-LBPRGKRZSA-N 1 0 330.388 2.538 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000299293924 311069866 /nfs/dbraw/zinc/06/98/66/311069866.db2.gz QRTCPZYGDUGHDH-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc1 ZINC000299324380 311072778 /nfs/dbraw/zinc/07/27/78/311072778.db2.gz CWORJOUTALRWCY-UHFFFAOYSA-N 1 0 332.791 2.965 20 5 EFBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000299442350 311085452 /nfs/dbraw/zinc/08/54/52/311085452.db2.gz KVFBKBNUMNPRIX-UHFFFAOYSA-N 1 0 331.376 2.720 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000299462139 311087222 /nfs/dbraw/zinc/08/72/22/311087222.db2.gz CSCYXSIBEMVNNJ-AWEZNQCLSA-N 1 0 334.420 2.507 20 5 EFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000299462140 311087450 /nfs/dbraw/zinc/08/74/50/311087450.db2.gz CSCYXSIBEMVNNJ-CQSZACIVSA-N 1 0 334.420 2.507 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299716570 311113637 /nfs/dbraw/zinc/11/36/37/311113637.db2.gz XJQUYKNXNHJZSC-HOTGVXAUSA-N 1 0 332.448 2.590 20 5 EFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301238251 311126354 /nfs/dbraw/zinc/12/63/54/311126354.db2.gz DZVCUCAQUDBAEV-GFCCVEGCSA-N 1 0 345.403 2.920 20 5 EFBDRO O=[N+]([O-])c1cccnc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000301282698 311129001 /nfs/dbraw/zinc/12/90/01/311129001.db2.gz LGPGUXIZPKNFHU-UHFFFAOYSA-N 1 0 346.416 2.534 20 5 EFBDRO COc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301342105 311132434 /nfs/dbraw/zinc/13/24/34/311132434.db2.gz GMASYATZYLMQGT-STQMWFEESA-N 1 0 337.420 2.903 20 5 EFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000301456163 311138296 /nfs/dbraw/zinc/13/82/96/311138296.db2.gz WVPNULUMXPRIBA-WDEREUQCSA-N 1 0 347.337 2.505 20 5 EFBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301477162 311139439 /nfs/dbraw/zinc/13/94/39/311139439.db2.gz PADVLAKAQFUZKP-LBPRGKRZSA-N 1 0 347.337 2.507 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301562347 311144617 /nfs/dbraw/zinc/14/46/17/311144617.db2.gz VBORBPNNQXQTKI-LLVKDONJSA-N 1 0 331.376 2.530 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301584714 311146156 /nfs/dbraw/zinc/14/61/56/311146156.db2.gz AUCIBKMMUJRKDB-GFCCVEGCSA-N 1 0 345.403 2.633 20 5 EFBDRO CCOC(=O)c1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301600824 311146844 /nfs/dbraw/zinc/14/68/44/311146844.db2.gz ZCTIOHBDJPZCHK-UHFFFAOYSA-N 1 0 347.415 2.836 20 5 EFBDRO Cc1cc(N(C)CC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301830740 311161369 /nfs/dbraw/zinc/16/13/69/311161369.db2.gz PWDJBUYKBWJGMN-UHFFFAOYSA-N 1 0 341.415 2.892 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301992897 311171092 /nfs/dbraw/zinc/17/10/92/311171092.db2.gz OBQBQXVJOXGLMO-KBPBESRZSA-N 1 0 338.477 2.651 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000302030867 311173469 /nfs/dbraw/zinc/17/34/69/311173469.db2.gz BXZVFVYCKMLLKD-LBPRGKRZSA-N 1 0 327.331 2.871 20 5 EFBDRO CCc1nn(C)c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000302055249 311174929 /nfs/dbraw/zinc/17/49/29/311174929.db2.gz PXVZJRGFLZXTDH-LSDHHAIUSA-N 1 0 349.479 2.982 20 5 EFBDRO Cc1cc(NCC(C)(C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302142044 311180341 /nfs/dbraw/zinc/18/03/41/311180341.db2.gz FRCLOQKGHHXDJP-UHFFFAOYSA-N 1 0 344.415 2.974 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000302146657 311180477 /nfs/dbraw/zinc/18/04/77/311180477.db2.gz KWRKOAXNOLLJLU-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302162683 311181829 /nfs/dbraw/zinc/18/18/29/311181829.db2.gz PZGAZTWSXCVCPT-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302228499 311186351 /nfs/dbraw/zinc/18/63/51/311186351.db2.gz ASZYDDTUFRKNOC-ZDUSSCGKSA-N 1 0 340.855 2.995 20 5 EFBDRO C[C@H]1C[NH+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)O1 ZINC000302458935 311190599 /nfs/dbraw/zinc/19/05/99/311190599.db2.gz QYQVNRNOQZNEFQ-KBPBESRZSA-N 1 0 348.447 2.864 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCCCC1 ZINC000302484485 311191252 /nfs/dbraw/zinc/19/12/52/311191252.db2.gz YRRZGIOOOZCVMU-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000302546625 311192735 /nfs/dbraw/zinc/19/27/35/311192735.db2.gz PALINEMAKKKLGQ-LLVKDONJSA-N 1 0 327.812 2.530 20 5 EFBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304358614 311212105 /nfs/dbraw/zinc/21/21/05/311212105.db2.gz SVPSJYGSDGEEKR-WFASDCNBSA-N 1 0 344.371 2.591 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000305127145 311216676 /nfs/dbraw/zinc/21/66/76/311216676.db2.gz ISOBFMLPMZUXOM-AWEZNQCLSA-N 1 0 332.322 2.773 20 5 EFBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000312888369 311230778 /nfs/dbraw/zinc/23/07/78/311230778.db2.gz WHHPKXDFGHWJNW-PWSUYJOCSA-N 1 0 340.221 2.854 20 5 EFBDRO [NH3+][C@H](CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000324756780 311242190 /nfs/dbraw/zinc/24/21/90/311242190.db2.gz RSAGJUYQGIHROK-QGZVFWFLSA-N 1 0 327.384 2.734 20 5 EFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000326394824 311244206 /nfs/dbraw/zinc/24/42/06/311244206.db2.gz MCIOBPCZRUQQKR-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000326394823 311244260 /nfs/dbraw/zinc/24/42/60/311244260.db2.gz MCIOBPCZRUQQKR-GOSISDBHSA-N 1 0 344.411 2.784 20 5 EFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330596880 311323731 /nfs/dbraw/zinc/32/37/31/311323731.db2.gz VUYYCCVOWSVBCQ-GRYCIOLGSA-N 1 0 325.434 2.753 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330750714 311332726 /nfs/dbraw/zinc/33/27/26/311332726.db2.gz WMAWFBKJUGUNMU-CQSZACIVSA-N 1 0 333.432 2.716 20 5 EFBDRO CSc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000330762991 311333458 /nfs/dbraw/zinc/33/34/58/311333458.db2.gz IACHUXZZWDJTAS-UHFFFAOYSA-N 1 0 337.445 2.731 20 5 EFBDRO CCNc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000330820160 311336857 /nfs/dbraw/zinc/33/68/57/311336857.db2.gz DGYDFEHJZGCVIH-ZDUSSCGKSA-N 1 0 348.447 2.829 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000331449494 311378458 /nfs/dbraw/zinc/37/84/58/311378458.db2.gz YVGYBAFLKIHFBP-ZDUSSCGKSA-N 1 0 349.435 2.532 20 5 EFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000331589162 311393940 /nfs/dbraw/zinc/39/39/40/311393940.db2.gz XQBDUYRDRTZKST-UHFFFAOYSA-N 1 0 325.434 2.994 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331623106 311398163 /nfs/dbraw/zinc/39/81/63/311398163.db2.gz RGNITBLBIKYKJQ-PKOBYXMFSA-N 1 0 347.459 2.655 20 5 EFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)C[NH+]1CCCCCC1 ZINC000332045828 311447664 /nfs/dbraw/zinc/44/76/64/311447664.db2.gz VCRJSUTUWZFIIB-UHFFFAOYSA-N 1 0 348.447 2.904 20 5 EFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000392235866 311953852 /nfs/dbraw/zinc/95/38/52/311953852.db2.gz ZNWQTIAXHXBZCZ-JTGQJZMRSA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397347531 311960173 /nfs/dbraw/zinc/96/01/73/311960173.db2.gz SOXHUOSFZIVOAJ-SCVCMEIPSA-N 1 0 325.796 2.694 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411514442 311980860 /nfs/dbraw/zinc/98/08/60/311980860.db2.gz GDTGLZUOCCODTM-OKZBNKHCSA-N 1 0 343.427 2.785 20 5 EFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413145291 312046606 /nfs/dbraw/zinc/04/66/06/312046606.db2.gz ZIQOWJVHOOAPTF-AWEZNQCLSA-N 1 0 344.415 2.648 20 5 EFBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414494204 312050275 /nfs/dbraw/zinc/05/02/75/312050275.db2.gz VAQYSMLAWANMGP-GJZGRUSLSA-N 1 0 348.424 2.905 20 5 EFBDRO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414849800 312058031 /nfs/dbraw/zinc/05/80/31/312058031.db2.gz YPRIRAGGTKCTFN-LBPRGKRZSA-N 1 0 333.388 2.809 20 5 EFBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414896924 312059114 /nfs/dbraw/zinc/05/91/14/312059114.db2.gz PZMPOOYTOOECAX-QZTJIDSGSA-N 1 0 329.375 2.969 20 5 EFBDRO C[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414906458 312061036 /nfs/dbraw/zinc/06/10/36/312061036.db2.gz PSSITVONJSSUQY-HNNXBMFYSA-N 1 0 329.347 2.676 20 5 EFBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)F ZINC000414998689 312074482 /nfs/dbraw/zinc/07/44/82/312074482.db2.gz UPSBYQRKANIRMH-LBPRGKRZSA-N 1 0 325.315 2.927 20 5 EFBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)F ZINC000414999838 312074750 /nfs/dbraw/zinc/07/47/50/312074750.db2.gz WHZYLVDHUCIDPE-ZDUSSCGKSA-N 1 0 325.315 2.927 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c(Cl)c1 ZINC000415041235 312082238 /nfs/dbraw/zinc/08/22/38/312082238.db2.gz QZZNTPIBUMNTPU-VIKVFOODSA-N 1 0 333.775 2.816 20 5 EFBDRO CN(c1ccccc1)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415047986 312083383 /nfs/dbraw/zinc/08/33/83/312083383.db2.gz ZGQHQKMCKHPNBA-MNZLEMJZSA-N 1 0 338.411 2.670 20 5 EFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000415107275 312095175 /nfs/dbraw/zinc/09/51/75/312095175.db2.gz KYFXYAKXQKRYQO-OAHLLOKOSA-N 1 0 347.440 2.873 20 5 EFBDRO Cc1ccc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415127089 312099050 /nfs/dbraw/zinc/09/90/50/312099050.db2.gz ROQLLDALCXBXFH-DOTOQJQBSA-N 1 0 329.375 2.969 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415297850 312126436 /nfs/dbraw/zinc/12/64/36/312126436.db2.gz OHAKVEGNFCUBPK-UHFFFAOYSA-N 1 0 332.404 2.819 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415298617 312126877 /nfs/dbraw/zinc/12/68/77/312126877.db2.gz PGSOZHKKNIRRGX-HZSPNIEDSA-N 1 0 332.404 2.721 20 5 EFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000415444894 312140087 /nfs/dbraw/zinc/14/00/87/312140087.db2.gz RTQTWDPNGGYDPK-UHFFFAOYSA-N 1 0 346.309 2.829 20 5 EFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415452682 312140949 /nfs/dbraw/zinc/14/09/49/312140949.db2.gz YSDFAXVYQSPSNU-IUCAKERBSA-N 1 0 346.309 2.815 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415499640 312147007 /nfs/dbraw/zinc/14/70/07/312147007.db2.gz KCCGAPYGTGUFCY-DOTOQJQBSA-N 1 0 340.383 2.780 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415628948 312158501 /nfs/dbraw/zinc/15/85/01/312158501.db2.gz HDLIHJSCCJFPGP-VXGBXAGGSA-N 1 0 336.367 2.587 20 5 EFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415630323 312159135 /nfs/dbraw/zinc/15/91/35/312159135.db2.gz KKKFMZZVMVDHFP-HNNXBMFYSA-N 1 0 336.367 2.730 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415668354 312163005 /nfs/dbraw/zinc/16/30/05/312163005.db2.gz ZMUYQMQAKVONCJ-BXUZGUMPSA-N 1 0 336.392 2.585 20 5 EFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415690559 312165185 /nfs/dbraw/zinc/16/51/85/312165185.db2.gz FDDZEGOAPKXLAA-CHWSQXEVSA-N 1 0 346.431 2.966 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415760047 312169704 /nfs/dbraw/zinc/16/97/04/312169704.db2.gz JOULCKZFPJBRRV-CFVMTHIKSA-N 1 0 332.404 2.748 20 5 EFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308220 312206915 /nfs/dbraw/zinc/20/69/15/312206915.db2.gz HQRHPKASBJVJDE-PBHICJAKSA-N 1 0 331.416 2.963 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000417313102 312207790 /nfs/dbraw/zinc/20/77/90/312207790.db2.gz OSKMBHGFSOPEAY-BEFAXECRSA-N 1 0 347.459 2.920 20 5 EFBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN1CCOCC1 ZINC000417313104 312207846 /nfs/dbraw/zinc/20/78/46/312207846.db2.gz OSKMBHGFSOPEAY-HNAYVOBHSA-N 1 0 347.459 2.920 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417316547 312208096 /nfs/dbraw/zinc/20/80/96/312208096.db2.gz UKBRFXKFVSSJPW-INIZCTEOSA-N 1 0 340.383 2.646 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)CCCC2 ZINC000417327018 312209402 /nfs/dbraw/zinc/20/94/02/312209402.db2.gz DLEXYLNHLSGFAX-HKUYNNGSSA-N 1 0 347.459 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN1CCCO)CCCC2 ZINC000417327022 312209464 /nfs/dbraw/zinc/20/94/64/312209464.db2.gz DLEXYLNHLSGFAX-MJGOQNOKSA-N 1 0 347.459 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1CCCO)CCCC2 ZINC000417327023 312209615 /nfs/dbraw/zinc/20/96/15/312209615.db2.gz DLEXYLNHLSGFAX-PKOBYXMFSA-N 1 0 347.459 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCN1CCC(O)CC1)CCCC2 ZINC000417344120 312211649 /nfs/dbraw/zinc/21/16/49/312211649.db2.gz RRNZYNUIZZLRJA-LJQANCHMSA-N 1 0 347.459 2.799 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COCC1CC1)CCCC2 ZINC000417345120 312211842 /nfs/dbraw/zinc/21/18/42/312211842.db2.gz TVFFPPRLGBRDLV-WMZOPIPTSA-N 1 0 334.416 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCCC2 ZINC000417349025 312212354 /nfs/dbraw/zinc/21/23/54/312212354.db2.gz JZODDHLJLNCFCC-ZIFCJYIRSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417397212 312218374 /nfs/dbraw/zinc/21/83/74/312218374.db2.gz XSLWMBGQALKLKD-GXTWGEPZSA-N 1 0 327.375 2.845 20 5 EFBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417710274 312259520 /nfs/dbraw/zinc/25/95/20/312259520.db2.gz CXZFSILESZDALW-MRXNPFEDSA-N 1 0 348.447 2.688 20 5 EFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417712862 312260056 /nfs/dbraw/zinc/26/00/56/312260056.db2.gz FYGIATVHHACXOC-HOTGVXAUSA-N 1 0 348.447 2.734 20 5 EFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417711841 312260096 /nfs/dbraw/zinc/26/00/96/312260096.db2.gz DYCHLUBFFGROLY-INIZCTEOSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417718179 312261070 /nfs/dbraw/zinc/26/10/70/312261070.db2.gz NVLRQQVLJCWHIO-PBHICJAKSA-N 1 0 348.447 2.829 20 5 EFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417738933 312263834 /nfs/dbraw/zinc/26/38/34/312263834.db2.gz YYWDRWBETRCCMZ-WBVHZDCISA-N 1 0 348.447 2.734 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417822242 312275729 /nfs/dbraw/zinc/27/57/29/312275729.db2.gz FIXXMTLHIDMRQD-ZIAGYGMSSA-N 1 0 334.420 2.653 20 5 EFBDRO CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417852863 312282120 /nfs/dbraw/zinc/28/21/20/312282120.db2.gz OMQHQLJMBFZHNB-XPKDYRNWSA-N 1 0 334.420 2.815 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417857158 312283548 /nfs/dbraw/zinc/28/35/48/312283548.db2.gz TXVLECYDMHLLOA-QEJZJMRPSA-N 1 0 334.420 2.781 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000417991424 312305796 /nfs/dbraw/zinc/30/57/96/312305796.db2.gz VKXDMNMINTYHRP-BBRMVZONSA-N 1 0 346.431 2.829 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418140546 312333224 /nfs/dbraw/zinc/33/32/24/312333224.db2.gz VRBSNUPPRYWXBD-VDBIKXPHSA-N 1 0 325.359 2.927 20 5 EFBDRO CCCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000418230183 312350744 /nfs/dbraw/zinc/35/07/44/312350744.db2.gz ITJQZXVZWMVXRH-ZDUSSCGKSA-N 1 0 334.420 2.829 20 5 EFBDRO C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418238739 312352351 /nfs/dbraw/zinc/35/23/51/312352351.db2.gz XZUDEGWOPBUESP-BBRMVZONSA-N 1 0 346.431 2.687 20 5 EFBDRO CC(C)(NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418514921 312360961 /nfs/dbraw/zinc/36/09/61/312360961.db2.gz HXZAGGZREJAJJO-UHFFFAOYSA-N 1 0 334.420 2.519 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccco1 ZINC000420579472 312373369 /nfs/dbraw/zinc/37/33/69/312373369.db2.gz CSRVYSSRVGULMS-CQSZACIVSA-N 1 0 346.387 2.782 20 5 EFBDRO Cc1ccc([C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000420580121 312373460 /nfs/dbraw/zinc/37/34/60/312373460.db2.gz DPVYVXOGTSPXSL-INIZCTEOSA-N 1 0 342.399 2.717 20 5 EFBDRO CCN1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)CC1 ZINC000420634536 312377158 /nfs/dbraw/zinc/37/71/58/312377158.db2.gz ZSFFNHCKKRBQRE-UHFFFAOYSA-N 1 0 346.475 2.900 20 5 EFBDRO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420640161 312377863 /nfs/dbraw/zinc/37/78/63/312377863.db2.gz SJNUAIMULDLJSI-MRXNPFEDSA-N 1 0 341.415 2.891 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423550144 312432915 /nfs/dbraw/zinc/43/29/15/312432915.db2.gz FKTFLKCCEFOGNP-ZNMIVQPWSA-N 1 0 331.416 2.719 20 5 EFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423579208 312434228 /nfs/dbraw/zinc/43/42/28/312434228.db2.gz VWOKINGMJQTZJP-IMJJTQAJSA-N 1 0 331.416 2.918 20 5 EFBDRO C[C@H](CCC[NH3+])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423676311 312441338 /nfs/dbraw/zinc/44/13/38/312441338.db2.gz FYHHITYTPTZUKZ-SECBINFHSA-N 1 0 331.825 2.584 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000423692561 312443745 /nfs/dbraw/zinc/44/37/45/312443745.db2.gz CONZTYSYPLCIEO-LBPRGKRZSA-N 1 0 337.445 2.969 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000423937607 312485053 /nfs/dbraw/zinc/48/50/53/312485053.db2.gz HHWCTRHTDPKOME-HNNXBMFYSA-N 1 0 343.383 2.596 20 5 EFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423949747 312487759 /nfs/dbraw/zinc/48/77/59/312487759.db2.gz NARKEZKZFJBBJD-GFCCVEGCSA-N 1 0 343.836 2.536 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423964882 312490642 /nfs/dbraw/zinc/49/06/42/312490642.db2.gz HHCGWNTWMPIVHE-OAHLLOKOSA-N 1 0 342.399 2.603 20 5 EFBDRO [NH3+]CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000423970770 312491954 /nfs/dbraw/zinc/49/19/54/312491954.db2.gz NBCQQHIMDODNFY-KRWDZBQOSA-N 1 0 343.383 2.570 20 5 EFBDRO [NH3+]CCC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423977418 312493338 /nfs/dbraw/zinc/49/33/38/312493338.db2.gz VTDXHKOKGVBSIX-OAHLLOKOSA-N 1 0 343.383 2.570 20 5 EFBDRO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C[NH3+] ZINC000424010812 312495805 /nfs/dbraw/zinc/49/58/05/312495805.db2.gz ISIWKWPLBDXWPI-JQWIXIFHSA-N 1 0 333.413 2.866 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424034102 312500242 /nfs/dbraw/zinc/50/02/42/312500242.db2.gz MXIBLTBSPPUAQJ-MRXNPFEDSA-N 1 0 331.416 2.753 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424038123 312500891 /nfs/dbraw/zinc/50/08/91/312500891.db2.gz HXQRZZRTCNBHSQ-OAHLLOKOSA-N 1 0 335.379 2.584 20 5 EFBDRO Cc1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc([N+](=O)[O-])c1 ZINC000424039915 312501282 /nfs/dbraw/zinc/50/12/82/312501282.db2.gz DZSVPPQUWVOLEF-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424049288 312503519 /nfs/dbraw/zinc/50/35/19/312503519.db2.gz ZPDWKWVAPCSPDC-UHFFFAOYSA-N 1 0 343.427 2.787 20 5 EFBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424055152 312504342 /nfs/dbraw/zinc/50/43/42/312504342.db2.gz QWMKQAJSDCDJCE-GVXVVHGQSA-N 1 0 337.445 2.762 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]Cc2ccccc21 ZINC000430959765 312546185 /nfs/dbraw/zinc/54/61/85/312546185.db2.gz DLVCJRKCBZOHNJ-ZDUSSCGKSA-N 1 0 340.383 2.532 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000432338124 312557752 /nfs/dbraw/zinc/55/77/52/312557752.db2.gz UPVCMTSXGFTQFG-UHFFFAOYSA-N 1 0 348.790 2.978 20 5 EFBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144769 312595838 /nfs/dbraw/zinc/59/58/38/312595838.db2.gz NSOICTFJUDVBCN-WMLDXEAASA-N 1 0 336.432 2.940 20 5 EFBDRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144770 312595988 /nfs/dbraw/zinc/59/59/88/312595988.db2.gz NSOICTFJUDVBCN-YOEHRIQHSA-N 1 0 336.432 2.940 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ccccc2)n1 ZINC000447511037 312678281 /nfs/dbraw/zinc/67/82/81/312678281.db2.gz RVVRJJNDDZNWQU-CVEARBPZSA-N 1 0 330.388 2.944 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000449343012 312686248 /nfs/dbraw/zinc/68/62/48/312686248.db2.gz HCWCUSVKEKLLHP-XJKSGUPXSA-N 1 0 327.384 2.732 20 5 EFBDRO CCc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000450542556 312703295 /nfs/dbraw/zinc/70/32/95/312703295.db2.gz HXYUYAVJOAKDOY-UHFFFAOYSA-N 1 0 340.383 2.515 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000450863043 312760846 /nfs/dbraw/zinc/76/08/46/312760846.db2.gz PROGPKONWGTXGR-VUCTXSBTSA-N 1 0 342.399 2.908 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000450863042 312761108 /nfs/dbraw/zinc/76/11/08/312761108.db2.gz PROGPKONWGTXGR-JLZZUVOBSA-N 1 0 342.399 2.908 20 5 EFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000453194622 312877808 /nfs/dbraw/zinc/87/78/08/312877808.db2.gz OEKPIHJRZBKEQC-MRXNPFEDSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000453408603 312899970 /nfs/dbraw/zinc/89/99/70/312899970.db2.gz FLWMVLUBIZJAPV-HZPDHXFCSA-N 1 0 329.404 2.811 20 5 EFBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1 ZINC000453408601 312900094 /nfs/dbraw/zinc/90/00/94/312900094.db2.gz FLWMVLUBIZJAPV-CVEARBPZSA-N 1 0 329.404 2.811 20 5 EFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000453600983 312915487 /nfs/dbraw/zinc/91/54/87/312915487.db2.gz GBTMRLXPCORPCN-UHFFFAOYSA-N 1 0 331.372 2.859 20 5 EFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000453635365 312922194 /nfs/dbraw/zinc/92/21/94/312922194.db2.gz USDPLRAPXISLEK-BLLLJJGKSA-N 1 0 330.388 2.652 20 5 EFBDRO C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000457174848 313039415 /nfs/dbraw/zinc/03/94/15/313039415.db2.gz WXVYKBNULBOEFD-GFCCVEGCSA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000458226494 313088392 /nfs/dbraw/zinc/08/83/92/313088392.db2.gz SKUBVWYFWUVWCT-CHWSQXEVSA-N 1 0 337.395 2.686 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000470169855 313129020 /nfs/dbraw/zinc/12/90/20/313129020.db2.gz LAMXVWRFJAZKDO-FYXHJSOBSA-N 1 0 345.443 2.652 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000470184820 313130213 /nfs/dbraw/zinc/13/02/13/313130213.db2.gz XRBJDRWRDXFOLF-QMJOVRGKSA-N 1 0 345.443 2.652 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000470212856 313130538 /nfs/dbraw/zinc/13/05/38/313130538.db2.gz XXUFNUVACXQKQX-NTCAYCPXSA-N 1 0 343.427 2.942 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000470211303 313130550 /nfs/dbraw/zinc/13/05/50/313130550.db2.gz HJEPYSBFBLLSOU-IZNAZMGOSA-N 1 0 347.459 2.775 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000471229194 313140855 /nfs/dbraw/zinc/14/08/55/313140855.db2.gz UUHWYPAQKSDPDH-GOSISDBHSA-N 1 0 349.431 2.763 20 5 EFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000471809595 313162358 /nfs/dbraw/zinc/16/23/58/313162358.db2.gz IOCKMKCPEYJDQB-RYUDHWBXSA-N 1 0 332.356 2.819 20 5 EFBDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000472339812 313187028 /nfs/dbraw/zinc/18/70/28/313187028.db2.gz UTQYZWRBFUMOKY-SJORKVTESA-N 1 0 333.432 2.859 20 5 EFBDRO Cc1c(CNc2cc(C(C)C)[nH+]c(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000477953992 313246958 /nfs/dbraw/zinc/24/69/58/313246958.db2.gz GVXNUDDOMOLIBE-UHFFFAOYSA-N 1 0 329.404 2.917 20 5 EFBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000480059925 313278612 /nfs/dbraw/zinc/27/86/12/313278612.db2.gz NWPWBOMWUPFJLM-UHFFFAOYSA-N 1 0 348.447 2.919 20 5 EFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000484846818 313324079 /nfs/dbraw/zinc/32/40/79/313324079.db2.gz LMPZQDADODTKER-QRVBRYPASA-N 1 0 347.459 2.664 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CC1 ZINC000485398197 313327559 /nfs/dbraw/zinc/32/75/59/313327559.db2.gz HYLFXLWBOHKDCJ-INIZCTEOSA-N 1 0 344.390 2.970 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485850753 313331977 /nfs/dbraw/zinc/33/19/77/313331977.db2.gz FQNJNBFQOFTGCG-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485909028 313332251 /nfs/dbraw/zinc/33/22/51/313332251.db2.gz QWMITJHBTGQZGA-UHFFFAOYSA-N 1 0 349.431 2.716 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000486910420 313346956 /nfs/dbraw/zinc/34/69/56/313346956.db2.gz HRSFKSUTYSCNPM-UHFFFAOYSA-N 1 0 343.387 2.709 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000486966762 313353185 /nfs/dbraw/zinc/35/31/85/313353185.db2.gz KKYGDLXGAWDOQC-OAHLLOKOSA-N 1 0 343.387 2.709 20 5 EFBDRO COc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000487048082 313361187 /nfs/dbraw/zinc/36/11/87/313361187.db2.gz SDYSNQDTITXQRB-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CSc1cccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000487070450 313363418 /nfs/dbraw/zinc/36/34/18/313363418.db2.gz LQWBOLYRDUSFDW-LLVKDONJSA-N 1 0 335.429 2.697 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000487160383 313371531 /nfs/dbraw/zinc/37/15/31/313371531.db2.gz XZBCFXOGUIFIMG-BBRMVZONSA-N 1 0 334.420 2.637 20 5 EFBDRO CO[C@@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1OC ZINC000488542909 313493695 /nfs/dbraw/zinc/49/36/95/313493695.db2.gz KRLFQYGHWJBUBX-IAGOWNOFSA-N 1 0 332.356 2.700 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491564989 313765705 /nfs/dbraw/zinc/76/57/05/313765705.db2.gz ZWAMFCKSSSLEGN-IWAYRVGRSA-N 1 0 329.400 2.695 20 5 EFBDRO Cn1nnc2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000492102458 313873976 /nfs/dbraw/zinc/87/39/76/313873976.db2.gz DYXIBJKBXOGIDC-UHFFFAOYSA-N 1 0 325.372 2.901 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492595010 314050497 /nfs/dbraw/zinc/05/04/97/314050497.db2.gz MSJZFCNBBXGPJO-VURMDHGXSA-N 1 0 335.379 2.691 20 5 EFBDRO CCOc1cc(C[N@H+](CCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492606323 314054670 /nfs/dbraw/zinc/05/46/70/314054670.db2.gz JMFIRUYSDIIEAB-UHFFFAOYSA-N 1 0 330.384 2.988 20 5 EFBDRO Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000492799319 314129841 /nfs/dbraw/zinc/12/98/41/314129841.db2.gz LPMWSVVAWSNTAI-FDMDGMSGSA-N 1 0 326.356 2.609 20 5 EFBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000492805715 314133093 /nfs/dbraw/zinc/13/30/93/314133093.db2.gz ZHOWKWGBHGENED-YYRKOSNBSA-N 1 0 343.427 2.941 20 5 EFBDRO CCOc1cc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000492819899 314137287 /nfs/dbraw/zinc/13/72/87/314137287.db2.gz UOSKMQMBSPPQDR-CYBMUJFWSA-N 1 0 349.431 2.730 20 5 EFBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000492883104 314163976 /nfs/dbraw/zinc/16/39/76/314163976.db2.gz ABQGWGCZOFNMAC-ZDNLYPJASA-N 1 0 329.400 2.692 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492920866 314177840 /nfs/dbraw/zinc/17/78/40/314177840.db2.gz KIQDGGPMQLZSGG-CVYKPKQLSA-N 1 0 347.390 2.832 20 5 EFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000492922250 314178181 /nfs/dbraw/zinc/17/81/81/314178181.db2.gz MXXFZJISGOHCRB-MLJBMGDYSA-N 1 0 343.427 2.797 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493110317 314243514 /nfs/dbraw/zinc/24/35/14/314243514.db2.gz ZUELRWHOSGKYCR-LKGOPFMKSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000493125838 314250408 /nfs/dbraw/zinc/25/04/08/314250408.db2.gz GYYGFHLVIDJNCA-CMDGGOBGSA-N 1 0 343.427 2.942 20 5 EFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493140918 314255483 /nfs/dbraw/zinc/25/54/83/314255483.db2.gz NYRZPOLQAZCQGG-MOTZXUDYSA-N 1 0 343.427 2.845 20 5 EFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493140916 314255593 /nfs/dbraw/zinc/25/55/93/314255593.db2.gz NYRZPOLQAZCQGG-GNJLHFKMSA-N 1 0 343.427 2.845 20 5 EFBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493265459 314297796 /nfs/dbraw/zinc/29/77/96/314297796.db2.gz SAZWKAMRVLHZHY-QAOXIVLQSA-N 1 0 347.390 2.738 20 5 EFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000493363993 314330136 /nfs/dbraw/zinc/33/01/36/314330136.db2.gz FTARYYCSMYOLTJ-GUFYHEMZSA-N 1 0 329.400 2.599 20 5 EFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493608137 314416856 /nfs/dbraw/zinc/41/68/56/314416856.db2.gz ZRQISLRJLIVYMK-NVXWUHKLSA-N 1 0 331.372 2.891 20 5 EFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000494250572 314565305 /nfs/dbraw/zinc/56/53/05/314565305.db2.gz JQUJOEWATWXGBU-VFZGTOFNSA-N 1 0 346.330 2.862 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000494801911 314637329 /nfs/dbraw/zinc/63/73/29/314637329.db2.gz WRNJEYCIIWHQAG-MRXNPFEDSA-N 1 0 343.383 2.636 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000495478221 314728835 /nfs/dbraw/zinc/72/88/35/314728835.db2.gz CGLZALYWSHTDOI-HIFRSBDPSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495507895 314735521 /nfs/dbraw/zinc/73/55/21/314735521.db2.gz GUPGUOYMVWKSRR-UKRRQHHQSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000495819140 314840752 /nfs/dbraw/zinc/84/07/52/314840752.db2.gz UPROLMHYNWIRQL-CQSZACIVSA-N 1 0 349.431 2.984 20 5 EFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000496685657 315157484 /nfs/dbraw/zinc/15/74/84/315157484.db2.gz WXUJGDXZVYUHGL-UHFFFAOYSA-N 1 0 335.404 2.783 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000503517919 315444306 /nfs/dbraw/zinc/44/43/06/315444306.db2.gz UBYYALIDHHSYEB-OASPWFOLSA-N 1 0 343.330 2.672 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000503531013 315444534 /nfs/dbraw/zinc/44/45/34/315444534.db2.gz QIIXKFLQXCINPG-IRUJWGPZSA-N 1 0 343.330 2.672 20 5 EFBDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000514789095 315562995 /nfs/dbraw/zinc/56/29/95/315562995.db2.gz VQKIGDCIBAUZCM-MELADBBJSA-N 1 0 340.445 2.598 20 5 EFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515115631 315593421 /nfs/dbraw/zinc/59/34/21/315593421.db2.gz ARMHUXXESXBWIG-UONOGXRCSA-N 1 0 333.432 2.887 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000520425043 315956718 /nfs/dbraw/zinc/95/67/18/315956718.db2.gz IVBBEARZOATDOW-CABCVRRESA-N 1 0 331.372 2.541 20 5 EFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000520497812 315960863 /nfs/dbraw/zinc/96/08/63/315960863.db2.gz FTNAZJXCDHZQJX-CQSZACIVSA-N 1 0 337.445 2.630 20 5 EFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521131110 316000542 /nfs/dbraw/zinc/00/05/42/316000542.db2.gz GTHWRJGNYHAILW-ZDUSSCGKSA-N 1 0 336.436 2.564 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521998715 316060821 /nfs/dbraw/zinc/06/08/21/316060821.db2.gz CKQQXBWEHPUBPZ-YDHLFZDLSA-N 1 0 334.420 2.610 20 5 EFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000521998713 316060859 /nfs/dbraw/zinc/06/08/59/316060859.db2.gz CKQQXBWEHPUBPZ-KCQAQPDRSA-N 1 0 334.420 2.610 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000522238000 316082793 /nfs/dbraw/zinc/08/27/93/316082793.db2.gz ZOYJFLWPFKSQQZ-UONOGXRCSA-N 1 0 334.420 2.657 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000523675083 316133675 /nfs/dbraw/zinc/13/36/75/316133675.db2.gz NITZTJOJQOXVIG-LBPRGKRZSA-N 1 0 330.388 2.536 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000523799440 316140088 /nfs/dbraw/zinc/14/00/88/316140088.db2.gz ZVXUZSDVRGWHKX-KGLIPLIRSA-N 1 0 334.420 2.685 20 5 EFBDRO Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000530407523 317122736 /nfs/dbraw/zinc/12/27/36/317122736.db2.gz UUCCTRDNIALAAY-RHSMWYFYSA-N 1 0 328.416 2.872 20 5 EFBDRO COC(=O)COc1ccc(C[N@H+](CC2CC2)C(C)C)cc1[N+](=O)[O-] ZINC000530502241 317137972 /nfs/dbraw/zinc/13/79/72/317137972.db2.gz SWMKWEXVFALGPS-UHFFFAOYSA-N 1 0 336.388 2.767 20 5 EFBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000530666060 317162258 /nfs/dbraw/zinc/16/22/58/317162258.db2.gz RACHCIAMUAFVHJ-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000531068272 317215426 /nfs/dbraw/zinc/21/54/26/317215426.db2.gz SJCNUKFJPCFWGD-CYBMUJFWSA-N 1 0 336.779 2.609 20 5 EFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000531979457 317338497 /nfs/dbraw/zinc/33/84/97/317338497.db2.gz RXIIVZDAGYGTCH-KCPJHIHWSA-N 1 0 335.404 2.715 20 5 EFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccncc1 ZINC000531994186 317340670 /nfs/dbraw/zinc/34/06/70/317340670.db2.gz XGBOJPIVNHSQSA-UONOGXRCSA-N 1 0 342.399 2.928 20 5 EFBDRO CNc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000535755559 317607186 /nfs/dbraw/zinc/60/71/86/317607186.db2.gz JNECSWYCIXFAOY-UHFFFAOYSA-N 1 0 348.447 2.831 20 5 EFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000537093194 317661810 /nfs/dbraw/zinc/66/18/10/317661810.db2.gz ATMYHTVRQUHQOW-WOSRLPQWSA-N 1 0 335.404 2.717 20 5 EFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538408374 317694393 /nfs/dbraw/zinc/69/43/93/317694393.db2.gz YZHRHXVTDRSPIG-DYVFJYSZSA-N 1 0 349.431 2.699 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000540159812 317740316 /nfs/dbraw/zinc/74/03/16/317740316.db2.gz DREPOACBHUCUBC-GFCCVEGCSA-N 1 0 346.408 2.775 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000540609588 317748034 /nfs/dbraw/zinc/74/80/34/317748034.db2.gz STZMVAQUHHQKCW-YQPCPPDFSA-N 1 0 349.431 2.961 20 5 EFBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000541597048 317782337 /nfs/dbraw/zinc/78/23/37/317782337.db2.gz KQXFGEIHHPVPFJ-YGRLFVJLSA-N 1 0 343.811 2.836 20 5 EFBDRO COc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000548389604 318101882 /nfs/dbraw/zinc/10/18/82/318101882.db2.gz NVEDXOOBSQSLFL-UHFFFAOYSA-N 1 0 349.431 2.874 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)nc1 ZINC000548921389 318157042 /nfs/dbraw/zinc/15/70/42/318157042.db2.gz VGMQWZAXZVGVMB-GDBMZVCRSA-N 1 0 346.431 2.968 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)nc1 ZINC000548921396 318157161 /nfs/dbraw/zinc/15/71/61/318157161.db2.gz VGMQWZAXZVGVMB-ZBFHGGJFSA-N 1 0 346.431 2.968 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000549696965 318180037 /nfs/dbraw/zinc/18/00/37/318180037.db2.gz WIBTWCFPRWDFTB-OAHLLOKOSA-N 1 0 336.775 2.778 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549698868 318180062 /nfs/dbraw/zinc/18/00/62/318180062.db2.gz KPIDSFCMXPKBRQ-YOEHRIQHSA-N 1 0 330.384 2.728 20 5 EFBDRO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000550084843 318187361 /nfs/dbraw/zinc/18/73/61/318187361.db2.gz ADTZDMPPHHPIAF-HNNXBMFYSA-N 1 0 334.347 2.572 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000551577390 318210679 /nfs/dbraw/zinc/21/06/79/318210679.db2.gz LNXPUKNWTXAMJQ-HNNXBMFYSA-N 1 0 347.459 2.967 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000553448053 318283477 /nfs/dbraw/zinc/28/34/77/318283477.db2.gz MDPKSOSJPHEFHB-VXGBXAGGSA-N 1 0 333.388 2.727 20 5 EFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556063368 318377762 /nfs/dbraw/zinc/37/77/62/318377762.db2.gz BRRFCZPWDZYXKD-KBMXLJTQSA-N 1 0 346.435 2.706 20 5 EFBDRO CNc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000556359327 318388224 /nfs/dbraw/zinc/38/82/24/318388224.db2.gz USUKEAFWXKUOBM-HNNXBMFYSA-N 1 0 348.447 2.877 20 5 EFBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560392886 318546144 /nfs/dbraw/zinc/54/61/44/318546144.db2.gz CKYDJRRXHNIMPJ-MAUKXSAKSA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000560509095 318561219 /nfs/dbraw/zinc/56/12/19/318561219.db2.gz JVSHYXZZLYLYSK-CJNGLKHVSA-N 1 0 348.374 2.694 20 5 EFBDRO COc1c(C(=O)Nc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000562305537 318632964 /nfs/dbraw/zinc/63/29/64/318632964.db2.gz YBSOSYQINJPCDR-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562603446 318670116 /nfs/dbraw/zinc/67/01/16/318670116.db2.gz KDPPVDSBHJQPCN-LZWOXQAQSA-N 1 0 338.452 2.908 20 5 EFBDRO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000562664252 318679997 /nfs/dbraw/zinc/67/99/97/318679997.db2.gz OOXNQYMMLIYFBH-ZDUSSCGKSA-N 1 0 327.388 2.836 20 5 EFBDRO CS[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000564873087 318903941 /nfs/dbraw/zinc/90/39/41/318903941.db2.gz KXJUZRAJTBFMBX-HIFRSBDPSA-N 1 0 342.461 2.702 20 5 EFBDRO COCCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565784982 319002991 /nfs/dbraw/zinc/00/29/91/319002991.db2.gz NHOWSJQYCLHUSS-QGZVFWFLSA-N 1 0 333.432 2.673 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000565828656 319006238 /nfs/dbraw/zinc/00/62/38/319006238.db2.gz XXRNVZWECPXGNZ-QGZVFWFLSA-N 1 0 330.384 2.687 20 5 EFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565921647 319014235 /nfs/dbraw/zinc/01/42/35/319014235.db2.gz GOWCGEBOGZWVPH-UONOGXRCSA-N 1 0 336.436 2.630 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CSc2ccccc21 ZINC000566116015 319035010 /nfs/dbraw/zinc/03/50/10/319035010.db2.gz MXBSKAXMMMVRAX-JSGCOSHPSA-N 1 0 346.408 2.771 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566228795 319049824 /nfs/dbraw/zinc/04/98/24/319049824.db2.gz SAEHALZCHGMQRW-UHFFFAOYSA-N 1 0 349.412 2.766 20 5 EFBDRO Cc1cc(N2CCC(CC[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566315165 319061655 /nfs/dbraw/zinc/06/16/55/319061655.db2.gz LGCXSPJGHIMLBD-UHFFFAOYSA-N 1 0 341.415 2.925 20 5 EFBDRO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1(C)C ZINC000566416371 319072067 /nfs/dbraw/zinc/07/20/67/319072067.db2.gz LEXOUDKCKZMSAB-UHFFFAOYSA-N 1 0 344.415 2.818 20 5 EFBDRO O=C1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1 ZINC000566630362 319097158 /nfs/dbraw/zinc/09/71/58/319097158.db2.gz JUPXWZOQLPDOJQ-DYVFJYSZSA-N 1 0 337.379 2.977 20 5 EFBDRO CC(C)OCC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567379446 319166239 /nfs/dbraw/zinc/16/62/39/319166239.db2.gz GDJTVSMEXZMZLT-AWEZNQCLSA-N 1 0 330.812 2.556 20 5 EFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000567668804 319194186 /nfs/dbraw/zinc/19/41/86/319194186.db2.gz WQLQVJNFUKZFRC-UHFFFAOYSA-N 1 0 333.310 2.861 20 5 EFBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567679444 319195781 /nfs/dbraw/zinc/19/57/81/319195781.db2.gz XNDCIEHYCQFRAM-FUHWJXTLSA-N 1 0 344.411 2.945 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693104 319198763 /nfs/dbraw/zinc/19/87/63/319198763.db2.gz KACVJDSPOGFZNE-WDEREUQCSA-N 1 0 336.310 2.513 20 5 EFBDRO O=C(CC[NH2+]C[C@@H]1COc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000567708780 319201221 /nfs/dbraw/zinc/20/12/21/319201221.db2.gz WGSALVNQYRJCAJ-CYBMUJFWSA-N 1 0 341.367 2.689 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000567791453 319211551 /nfs/dbraw/zinc/21/15/51/319211551.db2.gz RWSNSVOICKWTHZ-CQSZACIVSA-N 1 0 335.404 2.731 20 5 EFBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567905251 319224565 /nfs/dbraw/zinc/22/45/65/319224565.db2.gz NRIUUDKGPQOAKM-GXSJLCMTSA-N 1 0 346.330 2.514 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCC(F)(F)CC1 ZINC000568502834 319290058 /nfs/dbraw/zinc/29/00/58/319290058.db2.gz FLJNSWNUBQDGFI-CYBMUJFWSA-N 1 0 344.358 2.750 20 5 EFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000568740926 319314099 /nfs/dbraw/zinc/31/40/99/319314099.db2.gz LVKOGLMUJLCBBR-QGZVFWFLSA-N 1 0 344.411 2.784 20 5 EFBDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000569071307 319344284 /nfs/dbraw/zinc/34/42/84/319344284.db2.gz QXLKVZJHRJHQOS-UHFFFAOYSA-N 1 0 334.420 2.516 20 5 EFBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000569072529 319344568 /nfs/dbraw/zinc/34/45/68/319344568.db2.gz BERNVZLFRLCVIW-OWCLPIDISA-N 1 0 335.452 2.739 20 5 EFBDRO Cc1ccsc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687282 319404302 /nfs/dbraw/zinc/40/43/02/319404302.db2.gz YODCIWWAQBBFPU-AWEZNQCLSA-N 1 0 336.413 2.537 20 5 EFBDRO CCc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000569837675 319420112 /nfs/dbraw/zinc/42/01/12/319420112.db2.gz SYTWISYMJKAYGZ-QGZVFWFLSA-N 1 0 344.411 2.729 20 5 EFBDRO CNC(=O)c1cccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570653614 319498137 /nfs/dbraw/zinc/49/81/37/319498137.db2.gz XFKJIURFKHSXEB-KRWDZBQOSA-N 1 0 339.395 2.774 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@]12CCCO2 ZINC000570650090 319498357 /nfs/dbraw/zinc/49/83/57/319498357.db2.gz OCWWBNXMDAPGFG-DZJNRPSUSA-N 1 0 332.400 2.898 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000571397241 319570079 /nfs/dbraw/zinc/57/00/79/319570079.db2.gz XUIBRZMYENZUHQ-UHFFFAOYSA-N 1 0 342.399 2.886 20 5 EFBDRO O=C(CC[NH2+][C@@H]1CCOC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571790274 319607119 /nfs/dbraw/zinc/60/71/19/319607119.db2.gz GKLTZPBMTJCNLI-CYBMUJFWSA-N 1 0 333.388 2.615 20 5 EFBDRO CC1(C)C[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000571994080 319626365 /nfs/dbraw/zinc/62/63/65/319626365.db2.gz RHBVFTABRLICMD-CYBMUJFWSA-N 1 0 335.404 2.718 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000572585800 319684366 /nfs/dbraw/zinc/68/43/66/319684366.db2.gz VKEYKSSYGDAFDO-DOTOQJQBSA-N 1 0 346.431 2.659 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000572685621 319693938 /nfs/dbraw/zinc/69/39/38/319693938.db2.gz LISZPJRSXYCQJW-NSHDSACASA-N 1 0 326.809 2.841 20 5 EFBDRO CC(C)(NC(=O)NCc1ccc(C[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000573204200 319743600 /nfs/dbraw/zinc/74/36/00/319743600.db2.gz NJCWQQREMRTARB-UHFFFAOYSA-N 1 0 342.399 2.788 20 5 EFBDRO C[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574891900 319904614 /nfs/dbraw/zinc/90/46/14/319904614.db2.gz WLNHRIFCSNQDTJ-AWEZNQCLSA-N 1 0 333.432 2.937 20 5 EFBDRO Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000575160924 319931067 /nfs/dbraw/zinc/93/10/67/319931067.db2.gz FAJMHLOZEGATOF-WMLDXEAASA-N 1 0 337.395 2.765 20 5 EFBDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575329502 319940503 /nfs/dbraw/zinc/94/05/03/319940503.db2.gz ITWTXWDVQCGVSM-ZOBUZTSGSA-N 1 0 342.399 2.918 20 5 EFBDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575355875 319942507 /nfs/dbraw/zinc/94/25/07/319942507.db2.gz MVPFONJSZXZXSA-OCCSQVGLSA-N 1 0 336.413 2.617 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000575816205 319956248 /nfs/dbraw/zinc/95/62/48/319956248.db2.gz LRRNAJHIXLESCS-AWEZNQCLSA-N 1 0 332.331 2.836 20 5 EFBDRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575814143 319956368 /nfs/dbraw/zinc/95/63/68/319956368.db2.gz JUQLTDPPUDVDTF-OAHLLOKOSA-N 1 0 333.432 2.937 20 5 EFBDRO [NH3+]C1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCCCCC1 ZINC000576373947 320010844 /nfs/dbraw/zinc/01/08/44/320010844.db2.gz NDOVACPBUTZCKD-UHFFFAOYSA-N 1 0 346.431 2.714 20 5 EFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576695892 320039812 /nfs/dbraw/zinc/03/98/12/320039812.db2.gz QAAJVPKJTOKFHO-ZDUSSCGKSA-N 1 0 333.310 2.717 20 5 EFBDRO C[C@H](CCc1ccco1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577017470 320069480 /nfs/dbraw/zinc/06/94/80/320069480.db2.gz KCQLJZVNKDPJAD-HIFRSBDPSA-N 1 0 334.372 2.538 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000577055346 320073177 /nfs/dbraw/zinc/07/31/77/320073177.db2.gz LUIWXBFYUGFEON-RYQLBKOJSA-N 1 0 346.358 2.619 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000577848866 320150392 /nfs/dbraw/zinc/15/03/92/320150392.db2.gz KGCFOGDNHDBCGD-OAHLLOKOSA-N 1 0 346.387 2.674 20 5 EFBDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578277248 320190418 /nfs/dbraw/zinc/19/04/18/320190418.db2.gz UZXJADDTSLBIRK-NVXWUHKLSA-N 1 0 344.411 2.864 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000578603073 320220431 /nfs/dbraw/zinc/22/04/31/320220431.db2.gz RSKBXEYJJUDOGI-CYBMUJFWSA-N 1 0 335.404 2.596 20 5 EFBDRO O=C(CC[NH2+]C[C@H](CO)CC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578770017 320238270 /nfs/dbraw/zinc/23/82/70/320238270.db2.gz HTXOUHFGAHCJQE-OAHLLOKOSA-N 1 0 349.431 2.702 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cc1[N+](=O)[O-] ZINC000181840323 323253099 /nfs/dbraw/zinc/25/30/99/323253099.db2.gz PZRHUJJGQSGNLR-DZGCQCFKSA-N 1 0 334.372 2.725 20 5 EFBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181912376 323255019 /nfs/dbraw/zinc/25/50/19/323255019.db2.gz MLYFAARCKVCOKM-PBHICJAKSA-N 1 0 342.395 2.781 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183102021 323316330 /nfs/dbraw/zinc/31/63/30/323316330.db2.gz SFKDOCDYHIBDLI-ZDUSSCGKSA-N 1 0 335.404 2.598 20 5 EFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183180290 323320678 /nfs/dbraw/zinc/32/06/78/323320678.db2.gz PUCORMMMNUJBDT-SNVBAGLBSA-N 1 0 346.330 2.970 20 5 EFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183664868 323345221 /nfs/dbraw/zinc/34/52/21/323345221.db2.gz ZFWWJNJAQHDHAS-QGZVFWFLSA-N 1 0 347.390 2.753 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296866112 323658333 /nfs/dbraw/zinc/65/83/33/323658333.db2.gz ZEHNVQYEBVMRNE-SUMWQHHRSA-N 1 0 348.374 2.962 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382459614 323746392 /nfs/dbraw/zinc/74/63/92/323746392.db2.gz UEPMFLWSKKYFQF-RKDXNWHRSA-N 1 0 329.198 2.743 20 5 EFBDRO Cn1cncc1CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000579609097 323996602 /nfs/dbraw/zinc/99/66/02/323996602.db2.gz NLAIUHDMIKYYLQ-UHFFFAOYSA-N 1 0 344.415 2.804 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)nc2c1 ZINC000579709450 324017193 /nfs/dbraw/zinc/01/71/93/324017193.db2.gz SYSKBQYSANWEBD-MLGOLLRUSA-N 1 0 330.388 2.862 20 5 EFBDRO O=C1CCCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000580205959 324120155 /nfs/dbraw/zinc/12/01/55/324120155.db2.gz JOKJZPYIENGXIV-UHFFFAOYSA-N 1 0 329.356 2.567 20 5 EFBDRO C[C@@H]1CN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580390672 324151379 /nfs/dbraw/zinc/15/13/79/324151379.db2.gz WCDMHQCNQSKTAP-DYVFJYSZSA-N 1 0 333.432 2.628 20 5 EFBDRO COc1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000580782268 324236597 /nfs/dbraw/zinc/23/65/97/324236597.db2.gz BHVGTAQDUQXUJU-OAHLLOKOSA-N 1 0 344.415 2.963 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000581462528 324381848 /nfs/dbraw/zinc/38/18/48/324381848.db2.gz IRQVPSCYUBTHGZ-GOEBONIOSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000581484284 324388771 /nfs/dbraw/zinc/38/87/71/324388771.db2.gz BJTFDGQTUJKWCQ-IIAWOOMASA-N 1 0 338.452 2.594 20 5 EFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000583391875 324804557 /nfs/dbraw/zinc/80/45/57/324804557.db2.gz KPHPCRSOTRXHAF-CQSZACIVSA-N 1 0 337.395 2.733 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068513801 472202527 /nfs/dbraw/zinc/20/25/27/472202527.db2.gz GZLRQJOSQQNVJT-CQSZACIVSA-N 1 0 348.428 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)nc1 ZINC000128900930 472509989 /nfs/dbraw/zinc/50/99/89/472509989.db2.gz HWVANTNZZLTQIL-AWEZNQCLSA-N 1 0 338.371 2.553 20 5 EFBDRO CC(C)(C)CNC(=O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000155444674 472551329 /nfs/dbraw/zinc/55/13/29/472551329.db2.gz GCVXGGGFRKFNEP-UHFFFAOYSA-N 1 0 325.384 2.764 20 5 EFBDRO O=C(NCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000090184268 472608818 /nfs/dbraw/zinc/60/88/18/472608818.db2.gz QYVGDIHZHMHRRH-QGZVFWFLSA-N 1 0 345.443 2.812 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000124307711 473230228 /nfs/dbraw/zinc/23/02/28/473230228.db2.gz NKIWHVMHEYTXSL-MFKMUULPSA-N 1 0 330.331 2.837 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161399592 473232814 /nfs/dbraw/zinc/23/28/14/473232814.db2.gz XFTFDYJPUUXYFH-AWEZNQCLSA-N 1 0 327.388 2.512 20 5 EFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000095965556 473232785 /nfs/dbraw/zinc/23/27/85/473232785.db2.gz OHLRARAZESRZDZ-DYVFJYSZSA-N 1 0 327.384 2.889 20 5 EFBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000095965555 473232826 /nfs/dbraw/zinc/23/28/26/473232826.db2.gz OHLRARAZESRZDZ-GUYCJALGSA-N 1 0 327.384 2.889 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000095973190 473235916 /nfs/dbraw/zinc/23/59/16/473235916.db2.gz PCXKNPAPBOVWGD-ZDUSSCGKSA-N 1 0 336.779 2.598 20 5 EFBDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000095972793 473236477 /nfs/dbraw/zinc/23/64/77/473236477.db2.gz PQNGQYNHTVNWTK-SFHVURJKSA-N 1 0 328.368 2.695 20 5 EFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112080963 473241444 /nfs/dbraw/zinc/24/14/44/473241444.db2.gz YSWCYSJSBQMMEE-CQSZACIVSA-N 1 0 344.415 2.648 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])o1 ZINC000140188043 473243148 /nfs/dbraw/zinc/24/31/48/473243148.db2.gz CWVUAHWAPRHZNV-LBPRGKRZSA-N 1 0 349.412 2.891 20 5 EFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161711397 473254335 /nfs/dbraw/zinc/25/43/35/473254335.db2.gz KHACXJHRBHNKKZ-NWDGAFQWSA-N 1 0 346.412 2.718 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H](C)C1 ZINC000190403131 473262018 /nfs/dbraw/zinc/26/20/18/473262018.db2.gz FPEHWUJGZHGGLF-GFCCVEGCSA-N 1 0 337.445 2.917 20 5 EFBDRO CC(C)[C@@H](CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161851515 473270502 /nfs/dbraw/zinc/27/05/02/473270502.db2.gz BHDJGFKTPPBQPN-OAHLLOKOSA-N 1 0 333.388 2.789 20 5 EFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+]1CCOCC1 ZINC000471630124 467972729 /nfs/dbraw/zinc/97/27/29/467972729.db2.gz XBCXVNSRUCISNA-MRXNPFEDSA-N 1 0 336.436 2.847 20 5 EFBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)cc1 ZINC000143254834 473273538 /nfs/dbraw/zinc/27/35/38/473273538.db2.gz GGPGYEAWHFPEEI-KRWDZBQOSA-N 1 0 342.399 2.798 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486952188 468015260 /nfs/dbraw/zinc/01/52/60/468015260.db2.gz AEGCLMAAJRVVOV-LBPRGKRZSA-N 1 0 331.376 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000486967459 468015459 /nfs/dbraw/zinc/01/54/59/468015459.db2.gz NCWAEVQBVTTXGP-UHFFFAOYSA-N 1 0 343.387 2.931 20 5 EFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000517134367 468072144 /nfs/dbraw/zinc/07/21/44/468072144.db2.gz NGQVHCVXEKYAGV-CQSZACIVSA-N 1 0 345.403 2.948 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H](C)C1 ZINC000190472946 473285307 /nfs/dbraw/zinc/28/53/07/473285307.db2.gz AGBFFGMFCRMDOZ-LBPRGKRZSA-N 1 0 337.445 2.917 20 5 EFBDRO C[C@H]1CSCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190480140 473288837 /nfs/dbraw/zinc/28/88/37/473288837.db2.gz IBAJPUMGSSCKPM-SNVBAGLBSA-N 1 0 343.836 2.872 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000162001293 473292792 /nfs/dbraw/zinc/29/27/92/473292792.db2.gz KTTNBPMTSKSGIA-CQSZACIVSA-N 1 0 327.812 2.623 20 5 EFBDRO COc1cc(C[NH2+]CCSC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000171128282 473294598 /nfs/dbraw/zinc/29/45/98/473294598.db2.gz LDIHCQRVSIRMDS-UHFFFAOYSA-N 1 0 326.296 2.652 20 5 EFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177044957 473295180 /nfs/dbraw/zinc/29/51/80/473295180.db2.gz XXELTGHHZFXQPX-UHFFFAOYSA-N 1 0 345.374 2.525 20 5 EFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000162022738 473295625 /nfs/dbraw/zinc/29/56/25/473295625.db2.gz NTKFTAVOQNKZAJ-ZIAGYGMSSA-N 1 0 345.399 2.803 20 5 EFBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000146319246 473298734 /nfs/dbraw/zinc/29/87/34/473298734.db2.gz ZZQANOWQJCXKTO-UHFFFAOYSA-N 1 0 342.399 2.565 20 5 EFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000124806634 473307142 /nfs/dbraw/zinc/30/71/42/473307142.db2.gz DEBKBFQETKBXIL-ZDUSSCGKSA-N 1 0 342.399 2.605 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000083025980 473312079 /nfs/dbraw/zinc/31/20/79/473312079.db2.gz WMJZGIHLCWJKBY-HUUCEWRRSA-N 1 0 349.431 2.522 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177134484 473313270 /nfs/dbraw/zinc/31/32/70/473313270.db2.gz OWEORFDEALYLPJ-JQWIXIFHSA-N 1 0 335.429 2.672 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000148264684 473316901 /nfs/dbraw/zinc/31/69/01/473316901.db2.gz IEACHSWAOIEBTD-UHFFFAOYSA-N 1 0 334.420 2.583 20 5 EFBDRO Cc1c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000083040697 473317034 /nfs/dbraw/zinc/31/70/34/473317034.db2.gz UNYJSLXWKHKROB-OKILXGFUSA-N 1 0 349.431 2.522 20 5 EFBDRO COc1ccc(-c2ccc(C[NH+]3CCC(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000162256967 473320776 /nfs/dbraw/zinc/32/07/76/473320776.db2.gz BPZWOGCNVFCLFF-UHFFFAOYSA-N 1 0 332.356 2.820 20 5 EFBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]12 ZINC000185087727 473324129 /nfs/dbraw/zinc/32/41/29/473324129.db2.gz LVSHNRXXSQYADL-WQAKAFBOSA-N 1 0 331.397 2.619 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([NH+]4CCCC4)C3)nc2c1 ZINC000083173719 473328230 /nfs/dbraw/zinc/32/82/30/473328230.db2.gz HEHXDWJFFKLZFW-CQSZACIVSA-N 1 0 330.388 2.796 20 5 EFBDRO COC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112986249 473339814 /nfs/dbraw/zinc/33/98/14/473339814.db2.gz HURSVXXHEPFGGX-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000112988744 473342803 /nfs/dbraw/zinc/34/28/03/473342803.db2.gz UNDJXWVKOKKOSI-KGLIPLIRSA-N 1 0 335.404 2.589 20 5 EFBDRO COC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112989835 473342852 /nfs/dbraw/zinc/34/28/52/473342852.db2.gz BUHHXUTZKSJUHL-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO Nc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000177267837 473345563 /nfs/dbraw/zinc/34/55/63/473345563.db2.gz RHQIBPKRYABYBC-UHFFFAOYSA-N 1 0 346.431 2.704 20 5 EFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000162489575 473346576 /nfs/dbraw/zinc/34/65/76/473346576.db2.gz ZEMMVDMQMWNEHF-OAHLLOKOSA-N 1 0 337.420 2.541 20 5 EFBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094277 473355426 /nfs/dbraw/zinc/35/54/26/473355426.db2.gz JOFOXZSOLKOIRN-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000113198148 473365329 /nfs/dbraw/zinc/36/53/29/473365329.db2.gz AABVJWJSPDMIPF-AWEZNQCLSA-N 1 0 335.404 2.598 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000113364608 473387153 /nfs/dbraw/zinc/38/71/53/473387153.db2.gz FZDMCZLZIVFXOS-JTQLQIEISA-N 1 0 326.784 2.664 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000177496773 473389970 /nfs/dbraw/zinc/38/99/70/473389970.db2.gz JMRYJUSBOZDWLJ-AWEZNQCLSA-N 1 0 332.404 2.853 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000311651416 474842104 /nfs/dbraw/zinc/84/21/04/474842104.db2.gz DVIKOJLWQJRFAR-SECBINFHSA-N 1 0 331.214 2.893 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000619783471 479884114 /nfs/dbraw/zinc/88/41/14/479884114.db2.gz SAZNSAYRAVXPNW-SECBINFHSA-N 1 0 349.368 2.674 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000338424148 475890025 /nfs/dbraw/zinc/89/00/25/475890025.db2.gz URDAIOGSGKBAOS-HNNXBMFYSA-N 1 0 348.447 2.517 20 5 EFBDRO Nc1cc(N)[nH+]c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000338521574 475977256 /nfs/dbraw/zinc/97/72/56/475977256.db2.gz DFJZUZBIDKCWIV-UHFFFAOYSA-N 1 0 345.306 2.691 20 5 EFBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452043982 476791182 /nfs/dbraw/zinc/79/11/82/476791182.db2.gz VLXNKAANPMIHJP-CQSZACIVSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452042867 476791406 /nfs/dbraw/zinc/79/14/06/476791406.db2.gz GENHEMMYUJQZKQ-PPLBCVRQSA-N 1 0 346.427 2.703 20 5 EFBDRO Cc1ccc(C)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453570546 477239450 /nfs/dbraw/zinc/23/94/50/477239450.db2.gz ATAPAEPJRVBDOA-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362981 479888945 /nfs/dbraw/zinc/88/89/45/479888945.db2.gz MROCXCDJZRNSQM-ZKYQVNSYSA-N 1 0 332.322 2.819 20 5 EFBDRO Cc1ncc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000602638771 479440800 /nfs/dbraw/zinc/44/08/00/479440800.db2.gz WNEDTAUBORWLBR-LBPRGKRZSA-N 1 0 330.392 2.596 20 5 EFBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000602637205 479440834 /nfs/dbraw/zinc/44/08/34/479440834.db2.gz MULJKCVPPOSMFD-HNNXBMFYSA-N 1 0 340.383 2.818 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000602637972 479441179 /nfs/dbraw/zinc/44/11/79/479441179.db2.gz PROGPKONWGTXGR-ZLIFDBKOSA-N 1 0 342.399 2.908 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000593881779 479496037 /nfs/dbraw/zinc/49/60/37/479496037.db2.gz BBULSXLWYQLVSH-UHFFFAOYSA-N 1 0 347.415 2.502 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362979 479889318 /nfs/dbraw/zinc/88/93/18/479889318.db2.gz MROCXCDJZRNSQM-SCDSUCTJSA-N 1 0 332.322 2.819 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000005603144 471512786 /nfs/dbraw/zinc/51/27/86/471512786.db2.gz VPJFNEDGNLYBTE-UHFFFAOYSA-N 1 0 329.356 2.582 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006603056 471553859 /nfs/dbraw/zinc/55/38/59/471553859.db2.gz XFEQPLYOXMIRKI-MLGOLLRUSA-N 1 0 334.347 2.824 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000613235602 479931979 /nfs/dbraw/zinc/93/19/79/479931979.db2.gz FTKKMDXPPXPAPN-ZBFHGGJFSA-N 1 0 333.432 2.716 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000007783611 471638160 /nfs/dbraw/zinc/63/81/60/471638160.db2.gz DXJQQYYJJCRMQW-LBPRGKRZSA-N 1 0 329.356 2.893 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000008130743 471664616 /nfs/dbraw/zinc/66/46/16/471664616.db2.gz FPMIJQFLSWXVSK-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008307238 471678740 /nfs/dbraw/zinc/67/87/40/471678740.db2.gz IWZHPWODDGRRFR-AVGNSLFASA-N 1 0 335.404 2.908 20 5 EFBDRO C[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009982004 471724535 /nfs/dbraw/zinc/72/45/35/471724535.db2.gz AERWIYLZESROPM-UHFFFAOYSA-N 1 0 327.384 2.847 20 5 EFBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327713 471868676 /nfs/dbraw/zinc/86/86/76/471868676.db2.gz SKFKSSPSZVXNCN-UHFFFAOYSA-N 1 0 344.415 2.526 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000016599009 471942898 /nfs/dbraw/zinc/94/28/98/471942898.db2.gz WOJRJBPOICSLLK-MRXNPFEDSA-N 1 0 327.384 2.936 20 5 EFBDRO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000016599008 471942932 /nfs/dbraw/zinc/94/29/32/471942932.db2.gz WOJRJBPOICSLLK-INIZCTEOSA-N 1 0 327.384 2.936 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000017794038 471964136 /nfs/dbraw/zinc/96/41/36/471964136.db2.gz GHBWYLIXBMHYPN-QGZVFWFLSA-N 1 0 341.411 2.806 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174896 471971195 /nfs/dbraw/zinc/97/11/95/471971195.db2.gz OMIGBBQNSLAOOL-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067004159 471981217 /nfs/dbraw/zinc/98/12/17/471981217.db2.gz KJDOXHVMCRKEPH-AWEZNQCLSA-N 1 0 334.420 2.659 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000067160993 472000934 /nfs/dbraw/zinc/00/09/34/472000934.db2.gz WEAXZFHHPLLFSI-OAHLLOKOSA-N 1 0 333.413 2.997 20 5 EFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610880 472017474 /nfs/dbraw/zinc/01/74/74/472017474.db2.gz NICXRXUMJJFOHK-UHFFFAOYSA-N 1 0 339.395 2.943 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000067299011 472017963 /nfs/dbraw/zinc/01/79/63/472017963.db2.gz OMJLKDORLGNPJM-CQSZACIVSA-N 1 0 349.412 2.698 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000067383280 472026764 /nfs/dbraw/zinc/02/67/64/472026764.db2.gz AOBQZYPPAGCCHS-OAHLLOKOSA-N 1 0 346.387 2.782 20 5 EFBDRO CCOc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000023179623 472027798 /nfs/dbraw/zinc/02/77/98/472027798.db2.gz MCEASDUSELXXDW-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000023961900 472041310 /nfs/dbraw/zinc/04/13/10/472041310.db2.gz CBSSJDVQPSLTDO-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO CC1(C)CC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000067536529 472045911 /nfs/dbraw/zinc/04/59/11/472045911.db2.gz ORVINNURSLGXFS-UHFFFAOYSA-N 1 0 334.420 2.703 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000067538572 472047032 /nfs/dbraw/zinc/04/70/32/472047032.db2.gz RPHBYUVQMSUKSX-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000067544525 472048160 /nfs/dbraw/zinc/04/81/60/472048160.db2.gz NVASSCCJOZTWAI-UHFFFAOYSA-N 1 0 335.404 2.548 20 5 EFBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000054041998 472052373 /nfs/dbraw/zinc/05/23/73/472052373.db2.gz UIWSTJWILPNWKN-CQSZACIVSA-N 1 0 343.358 2.738 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067633798 472063406 /nfs/dbraw/zinc/06/34/06/472063406.db2.gz LJHAMALHJKPLJN-GFCCVEGCSA-N 1 0 337.445 2.777 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000067683126 472070556 /nfs/dbraw/zinc/07/05/56/472070556.db2.gz ZVXUZSDVRGWHKX-KBPBESRZSA-N 1 0 334.420 2.685 20 5 EFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000025330183 472090484 /nfs/dbraw/zinc/09/04/84/472090484.db2.gz LDNFBXDEXMNLMQ-JTQLQIEISA-N 1 0 325.415 2.751 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000054647057 472104868 /nfs/dbraw/zinc/10/48/68/472104868.db2.gz OYFONNBVPLSBNS-GJZGRUSLSA-N 1 0 348.447 2.699 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000054760925 472113314 /nfs/dbraw/zinc/11/33/14/472113314.db2.gz BDWKEWAXTAOJOB-CQSZACIVSA-N 1 0 337.376 2.828 20 5 EFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026156199 472125557 /nfs/dbraw/zinc/12/55/57/472125557.db2.gz JIMBDZLECYDLEW-UHFFFAOYSA-N 1 0 325.368 2.982 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000026161063 472126006 /nfs/dbraw/zinc/12/60/06/472126006.db2.gz JOSZTTGEWFEWEJ-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO C[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026211158 472128274 /nfs/dbraw/zinc/12/82/74/472128274.db2.gz ZXFJTAALNZTWPF-OAHLLOKOSA-N 1 0 334.347 2.606 20 5 EFBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000068134765 472140083 /nfs/dbraw/zinc/14/00/83/472140083.db2.gz PEYGKFOTFCAFAT-OAHLLOKOSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068135284 472140716 /nfs/dbraw/zinc/14/07/16/472140716.db2.gz AABUCPAYCUAMQY-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO CC(C)C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042558366 472144301 /nfs/dbraw/zinc/14/43/01/472144301.db2.gz ZTRXYRIHVFHNEJ-MRXNPFEDSA-N 1 0 333.432 2.764 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075502583 472146799 /nfs/dbraw/zinc/14/67/99/472146799.db2.gz YSXCAJAWVVMVIX-CQSZACIVSA-N 1 0 332.404 2.935 20 5 EFBDRO CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000042763485 472168945 /nfs/dbraw/zinc/16/89/45/472168945.db2.gz OPUOHNDMUHEIMW-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000075650898 472176854 /nfs/dbraw/zinc/17/68/54/472176854.db2.gz COIHGFUQAAAMLI-LLVKDONJSA-N 1 0 325.434 2.580 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000075650897 472176968 /nfs/dbraw/zinc/17/69/68/472176968.db2.gz COIHGFUQAAAMLI-NSHDSACASA-N 1 0 325.434 2.580 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000027583175 472184310 /nfs/dbraw/zinc/18/43/10/472184310.db2.gz DFBHKQOARLWVOR-ZDUSSCGKSA-N 1 0 333.413 2.559 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000027676507 472190557 /nfs/dbraw/zinc/19/05/57/472190557.db2.gz ORHGYLWYLYCNPJ-SECBINFHSA-N 1 0 325.415 2.751 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000068442846 472193074 /nfs/dbraw/zinc/19/30/74/472193074.db2.gz JOCGCGGSRJAOTI-UHFFFAOYSA-N 1 0 348.447 2.778 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000068450445 472194155 /nfs/dbraw/zinc/19/41/55/472194155.db2.gz ZJENHXNRVLGDBT-UHFFFAOYSA-N 1 0 348.447 2.655 20 5 EFBDRO CCOc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027748504 472194655 /nfs/dbraw/zinc/19/46/55/472194655.db2.gz JHIAOFHUKWDOKG-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000043085093 472196363 /nfs/dbraw/zinc/19/63/63/472196363.db2.gz UNMLAVZIRQKLDQ-OLZOCXBDSA-N 1 0 335.404 2.596 20 5 EFBDRO NC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000027907252 472200977 /nfs/dbraw/zinc/20/09/77/472200977.db2.gz YXGAPVDXGHONIU-UHFFFAOYSA-N 1 0 325.368 2.858 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835836 472203489 /nfs/dbraw/zinc/20/34/89/472203489.db2.gz XAAWECVKULJYJI-OAHLLOKOSA-N 1 0 333.432 2.911 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000055897534 472252650 /nfs/dbraw/zinc/25/26/50/472252650.db2.gz PRPLNWMIXVCPLQ-UHFFFAOYSA-N 1 0 342.399 2.581 20 5 EFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000043689811 472253589 /nfs/dbraw/zinc/25/35/89/472253589.db2.gz UMRCNILPKDRHCZ-UHFFFAOYSA-N 1 0 346.387 2.896 20 5 EFBDRO Cc1sc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000043731979 472258461 /nfs/dbraw/zinc/25/84/61/472258461.db2.gz GLMWOVQULLQGNA-UHFFFAOYSA-N 1 0 333.413 2.956 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000085620439 472260724 /nfs/dbraw/zinc/26/07/24/472260724.db2.gz HRIGMYLSKMRCNT-CQSZACIVSA-N 1 0 332.404 2.914 20 5 EFBDRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000029278914 472264541 /nfs/dbraw/zinc/26/45/41/472264541.db2.gz FGWGNWCMOQFBHN-UHFFFAOYSA-N 1 0 329.356 2.917 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000068974651 472274428 /nfs/dbraw/zinc/27/44/28/472274428.db2.gz PNKLHJGZRVFIEK-CYBMUJFWSA-N 1 0 346.431 2.629 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069031733 472279289 /nfs/dbraw/zinc/27/92/89/472279289.db2.gz NHRYRDMPGFAXHY-KRWDZBQOSA-N 1 0 333.432 2.924 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076159110 472288239 /nfs/dbraw/zinc/28/82/39/472288239.db2.gz YKPXPQAEQBBLTG-UHFFFAOYSA-N 1 0 343.383 2.960 20 5 EFBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076169537 472289448 /nfs/dbraw/zinc/28/94/48/472289448.db2.gz BOGCIHRRFIZLRK-UHFFFAOYSA-N 1 0 327.384 2.880 20 5 EFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000069138491 472296266 /nfs/dbraw/zinc/29/62/66/472296266.db2.gz JPZMTALGCULWKK-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087004512 472296854 /nfs/dbraw/zinc/29/68/54/472296854.db2.gz FQGOZBHOGVOMNT-HNNXBMFYSA-N 1 0 333.432 2.908 20 5 EFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000029839203 472299827 /nfs/dbraw/zinc/29/98/27/472299827.db2.gz NIKQMFLMJLGZAY-UHFFFAOYSA-N 1 0 345.424 2.835 20 5 EFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1 ZINC000029871627 472302308 /nfs/dbraw/zinc/30/23/08/472302308.db2.gz VEGXYQNKZUXBLW-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056362087 472311942 /nfs/dbraw/zinc/31/19/42/472311942.db2.gz SNQHWSXLHQSFOM-RBSFLKMASA-N 1 0 333.432 2.620 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087172400 472313419 /nfs/dbraw/zinc/31/34/19/472313419.db2.gz SSMLXPKFFPMTHR-LSDHHAIUSA-N 1 0 333.432 2.764 20 5 EFBDRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056382384 472313602 /nfs/dbraw/zinc/31/36/02/472313602.db2.gz GRPZQVJBBPZQMB-GFCCVEGCSA-N 1 0 332.404 2.582 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000076387620 472335790 /nfs/dbraw/zinc/33/57/90/472335790.db2.gz ADIFQECKUAASQP-AWEZNQCLSA-N 1 0 343.383 2.924 20 5 EFBDRO Cc1nn(C)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000076461397 472350965 /nfs/dbraw/zinc/35/09/65/472350965.db2.gz SQXVINOBEMGEMS-HNNXBMFYSA-N 1 0 329.404 2.886 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069500020 472357213 /nfs/dbraw/zinc/35/72/13/472357213.db2.gz ABNHSSQDJWKZLU-UHFFFAOYSA-N 1 0 333.432 2.908 20 5 EFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000056891372 472362707 /nfs/dbraw/zinc/36/27/07/472362707.db2.gz UYEDTOSKDYBUCR-UHFFFAOYSA-N 1 0 349.412 2.527 20 5 EFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000045032502 472366663 /nfs/dbraw/zinc/36/66/63/472366663.db2.gz XUTMOIPKDXKTFN-UHFFFAOYSA-N 1 0 340.383 2.775 20 5 EFBDRO COc1cc[nH+]c(N2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000088719924 472381000 /nfs/dbraw/zinc/38/10/00/472381000.db2.gz ZBIQAVYWGXQVGP-UHFFFAOYSA-N 1 0 328.372 2.633 20 5 EFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000613390745 479986199 /nfs/dbraw/zinc/98/61/99/479986199.db2.gz YQLDCPZOKZNDHW-GOEBONIOSA-N 1 0 330.384 2.728 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069629552 472385130 /nfs/dbraw/zinc/38/51/30/472385130.db2.gz HSOVOZUSCAUBEP-HNNXBMFYSA-N 1 0 332.404 2.995 20 5 EFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154170591 472397533 /nfs/dbraw/zinc/39/75/33/472397533.db2.gz ITURZCYOWXMYNV-UHFFFAOYSA-N 1 0 330.388 2.605 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000154175240 472397742 /nfs/dbraw/zinc/39/77/42/472397742.db2.gz CMQDPYVCQPNUMK-HMQGTJFBSA-N 1 0 347.390 2.690 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000154175580 472397859 /nfs/dbraw/zinc/39/78/59/472397859.db2.gz VYDVKVUGVOMCPK-HNNXBMFYSA-N 1 0 349.431 2.600 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000097010411 472407960 /nfs/dbraw/zinc/40/79/60/472407960.db2.gz IBZSEVNNWWUAKP-CJNGLKHVSA-N 1 0 334.420 2.782 20 5 EFBDRO CC[N@H+](C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000089307251 472410081 /nfs/dbraw/zinc/41/00/81/472410081.db2.gz CIOOMYJEAAHBND-GOSISDBHSA-N 1 0 341.411 2.947 20 5 EFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000069816820 472442676 /nfs/dbraw/zinc/44/26/76/472442676.db2.gz ZPYWTMRZRIIGEE-DLBZAZTESA-N 1 0 349.431 2.857 20 5 EFBDRO C[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000097107158 472450469 /nfs/dbraw/zinc/45/04/69/472450469.db2.gz WERJMBSCFXYQIN-UHFFFAOYSA-N 1 0 343.836 2.504 20 5 EFBDRO CNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730645 472459650 /nfs/dbraw/zinc/45/96/50/472459650.db2.gz JCOWBRAXYZPMKJ-STQMWFEESA-N 1 0 334.420 2.629 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032733391 472461512 /nfs/dbraw/zinc/46/15/12/472461512.db2.gz UNMLAVZIRQKLDQ-QWHCGFSZSA-N 1 0 335.404 2.596 20 5 EFBDRO CC[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032771647 472466765 /nfs/dbraw/zinc/46/67/65/472466765.db2.gz RMLKFMJQDXCBER-KRWDZBQOSA-N 1 0 348.374 2.996 20 5 EFBDRO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057716864 472467423 /nfs/dbraw/zinc/46/74/23/472467423.db2.gz HIIOEDKEJPCANG-NEPJUHHUSA-N 1 0 337.445 2.674 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000089603393 472468790 /nfs/dbraw/zinc/46/87/90/472468790.db2.gz GUIAUSGNVPTUNZ-NSHDSACASA-N 1 0 327.331 2.538 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000154780265 472470134 /nfs/dbraw/zinc/47/01/34/472470134.db2.gz CBWDENIRLLDZHD-UHFFFAOYSA-N 1 0 330.388 2.603 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000128609849 472474541 /nfs/dbraw/zinc/47/45/41/472474541.db2.gz LIGAVBQDKJZDSI-AAEUAGOBSA-N 1 0 339.367 2.562 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644553 472478988 /nfs/dbraw/zinc/47/89/88/472478988.db2.gz VGKACJPZKQEZEM-CVEARBPZSA-N 1 0 345.374 2.781 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117788829 472479607 /nfs/dbraw/zinc/47/96/07/472479607.db2.gz KYIRZLGLYHGNGO-AWEZNQCLSA-N 1 0 339.823 2.733 20 5 EFBDRO CCC[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000057825266 472479733 /nfs/dbraw/zinc/47/97/33/472479733.db2.gz COCSTHHTBWVHKQ-UHFFFAOYSA-N 1 0 341.415 2.892 20 5 EFBDRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000128671851 472482692 /nfs/dbraw/zinc/48/26/92/472482692.db2.gz SYLIHKHDKAIUQF-QWRGUYRKSA-N 1 0 341.408 2.888 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000089728824 472493807 /nfs/dbraw/zinc/49/38/07/472493807.db2.gz JWCRBBQGGZKKEV-JSGCOSHPSA-N 1 0 335.404 2.653 20 5 EFBDRO Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000033084070 472494870 /nfs/dbraw/zinc/49/48/70/472494870.db2.gz KCQSFFMVERCKHV-UHFFFAOYSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cc1[N+](=O)[O-] ZINC000128836411 472502459 /nfs/dbraw/zinc/50/24/59/472502459.db2.gz FRMBRUYYBXTKGD-CYBMUJFWSA-N 1 0 343.383 2.618 20 5 EFBDRO CC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000118752783 472507131 /nfs/dbraw/zinc/50/71/31/472507131.db2.gz UTBXQNPDCNHBBV-LBPRGKRZSA-N 1 0 347.337 2.507 20 5 EFBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCC2)cc1 ZINC000070790744 472512929 /nfs/dbraw/zinc/51/29/29/472512929.db2.gz SVVXITWFSCYLPJ-OAHLLOKOSA-N 1 0 345.403 2.586 20 5 EFBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000155184017 472517810 /nfs/dbraw/zinc/51/78/10/472517810.db2.gz IXZVKYPCJIFESB-UHFFFAOYSA-N 1 0 349.431 2.648 20 5 EFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000070928493 472524837 /nfs/dbraw/zinc/52/48/37/472524837.db2.gz HDHSDXJMTUWLIU-UHFFFAOYSA-N 1 0 340.383 2.636 20 5 EFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCCCC2)c2c(c1)COCO2 ZINC000071081435 472539621 /nfs/dbraw/zinc/53/96/21/472539621.db2.gz BGGPHUXWXIHSIV-UHFFFAOYSA-N 1 0 336.388 2.588 20 5 EFBDRO CN(C)c1cccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000089921819 472546544 /nfs/dbraw/zinc/54/65/44/472546544.db2.gz FNOAAYLARLSFRP-GOSISDBHSA-N 1 0 329.400 2.826 20 5 EFBDRO C[C@H](O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000089927772 472547387 /nfs/dbraw/zinc/54/73/87/472547387.db2.gz CKIPNCHBHJTGQC-ZFWWWQNUSA-N 1 0 345.399 2.885 20 5 EFBDRO CC(C)c1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155510507 472559615 /nfs/dbraw/zinc/55/96/15/472559615.db2.gz HABYJPVNHCISIA-UHFFFAOYSA-N 1 0 335.448 2.607 20 5 EFBDRO O=C(CCC1CC[NH2+]CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155533976 472563301 /nfs/dbraw/zinc/56/33/01/472563301.db2.gz FDBWEJZEFYXHDN-UHFFFAOYSA-N 1 0 333.432 2.814 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000077667402 472579683 /nfs/dbraw/zinc/57/96/83/472579683.db2.gz KICSXKISAIKOBJ-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnnc1C1CC1 ZINC000090032017 472583242 /nfs/dbraw/zinc/58/32/42/472583242.db2.gz CMEFMLCYJDTWTA-ZDUSSCGKSA-N 1 0 329.404 2.675 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119831008 472587623 /nfs/dbraw/zinc/58/76/23/472587623.db2.gz ACKWFRNKPQNZAF-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000130423450 472604788 /nfs/dbraw/zinc/60/47/88/472604788.db2.gz BYLVORFSZXFFQY-UHFFFAOYSA-N 1 0 331.347 2.977 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000103119574 472611881 /nfs/dbraw/zinc/61/18/81/472611881.db2.gz DHXYZIHIOWTBFZ-CYBMUJFWSA-N 1 0 337.445 2.630 20 5 EFBDRO O=C1CCCCN1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071912002 472616622 /nfs/dbraw/zinc/61/66/22/472616622.db2.gz BRVBKOHVBLKSDE-UHFFFAOYSA-N 1 0 345.443 2.862 20 5 EFBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCCC1 ZINC000058966869 472617629 /nfs/dbraw/zinc/61/76/29/472617629.db2.gz YBJMAGGBJMFQJP-GFCCVEGCSA-N 1 0 330.388 2.538 20 5 EFBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394190 472625041 /nfs/dbraw/zinc/62/50/41/472625041.db2.gz VPUKFMCTYJOJHD-INIZCTEOSA-N 1 0 346.362 2.548 20 5 EFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046935717 472625293 /nfs/dbraw/zinc/62/52/93/472625293.db2.gz QCMMXTKSBUFFSU-UHFFFAOYSA-N 1 0 330.388 2.693 20 5 EFBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCOCC1 ZINC000155842895 472625447 /nfs/dbraw/zinc/62/54/47/472625447.db2.gz ROENVULFJXHZLB-UHFFFAOYSA-N 1 0 332.360 2.503 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000090511613 472627443 /nfs/dbraw/zinc/62/74/43/472627443.db2.gz GEGFSLYJBXZPPH-MRXNPFEDSA-N 1 0 331.347 2.733 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000120092922 472629473 /nfs/dbraw/zinc/62/94/73/472629473.db2.gz JMHVACQSORKCQO-YJBOKZPZSA-N 1 0 335.448 2.911 20 5 EFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000059894203 472631580 /nfs/dbraw/zinc/63/15/80/472631580.db2.gz TUFJQFQWWQMWAE-SJCJKPOMSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000090538941 472632185 /nfs/dbraw/zinc/63/21/85/472632185.db2.gz XELVLZQPTMQKQU-JTQLQIEISA-N 1 0 326.303 2.744 20 5 EFBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549327 472632881 /nfs/dbraw/zinc/63/28/81/472632881.db2.gz NKIUKKUDCOTLRE-QGZVFWFLSA-N 1 0 327.384 2.766 20 5 EFBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 ZINC000090550748 472633479 /nfs/dbraw/zinc/63/34/79/472633479.db2.gz MJSQNKNSHXRRLP-YJBOKZPZSA-N 1 0 341.411 2.882 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000130888323 472634615 /nfs/dbraw/zinc/63/46/15/472634615.db2.gz VQOQISSJBQUNKW-IBGZPJMESA-N 1 0 342.395 2.955 20 5 EFBDRO CC(C)Oc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090590007 472639533 /nfs/dbraw/zinc/63/95/33/472639533.db2.gz DDIQUZFYKHYTSW-UHFFFAOYSA-N 1 0 345.399 2.676 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000072274238 472643920 /nfs/dbraw/zinc/64/39/20/472643920.db2.gz GKGNYMLIFJLCDY-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000072274239 472644207 /nfs/dbraw/zinc/64/42/07/472644207.db2.gz GKGNYMLIFJLCDY-PBHICJAKSA-N 1 0 346.431 2.926 20 5 EFBDRO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090686647 472652339 /nfs/dbraw/zinc/65/23/39/472652339.db2.gz PDQLDXNBJRYMJQ-XKQJLSEDSA-N 1 0 346.431 2.924 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000060404094 472653661 /nfs/dbraw/zinc/65/36/61/472653661.db2.gz QAQAZASHAPHJBD-UHFFFAOYSA-N 1 0 349.431 2.940 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000047145546 472661387 /nfs/dbraw/zinc/66/13/87/472661387.db2.gz RQPVWKXKLXRXEI-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC1CCOCC1 ZINC000120357748 472673883 /nfs/dbraw/zinc/67/38/83/472673883.db2.gz BRROHZVKBSVMLS-UHFFFAOYSA-N 1 0 349.431 2.980 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000120362784 472675649 /nfs/dbraw/zinc/67/56/49/472675649.db2.gz UUCYVTBISROXFZ-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000072561125 472679505 /nfs/dbraw/zinc/67/95/05/472679505.db2.gz LLKBEHOQCRTVNR-UHFFFAOYSA-N 1 0 335.404 2.733 20 5 EFBDRO C[C@H]1C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000104661143 472680344 /nfs/dbraw/zinc/68/03/44/472680344.db2.gz SQAZKUKFIJQJAF-STQMWFEESA-N 1 0 331.372 2.902 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000072600480 472684003 /nfs/dbraw/zinc/68/40/03/472684003.db2.gz WZTDBLXKAYCDCO-CQSZACIVSA-N 1 0 349.431 2.857 20 5 EFBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078307343 472692184 /nfs/dbraw/zinc/69/21/84/472692184.db2.gz LDKYUFWXXJVRGX-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091081277 472698184 /nfs/dbraw/zinc/69/81/84/472698184.db2.gz WFBOAUCKXGNQFW-HOTGVXAUSA-N 1 0 330.388 2.805 20 5 EFBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000156398652 472700845 /nfs/dbraw/zinc/70/08/45/472700845.db2.gz YIZUEYBEHAAOFU-UHFFFAOYSA-N 1 0 345.399 2.954 20 5 EFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000091098738 472704886 /nfs/dbraw/zinc/70/48/86/472704886.db2.gz PBGHIBWIJYFQRY-LBPRGKRZSA-N 1 0 325.434 2.915 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047416721 472706717 /nfs/dbraw/zinc/70/67/17/472706717.db2.gz PVVYZPDVIYLWKC-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO CCOc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000078397615 472710601 /nfs/dbraw/zinc/71/06/01/472710601.db2.gz IQHZMRBYNMQVNF-UHFFFAOYSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072759017 472711009 /nfs/dbraw/zinc/71/10/09/472711009.db2.gz UTDZBLPLNZVKJX-OAHLLOKOSA-N 1 0 348.447 2.648 20 5 EFBDRO C[N@H+](CCC1CCOCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000120559538 472711510 /nfs/dbraw/zinc/71/15/10/472711510.db2.gz TVPLOEKPGKRQLS-UHFFFAOYSA-N 1 0 336.388 2.710 20 5 EFBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156506658 472715990 /nfs/dbraw/zinc/71/59/90/472715990.db2.gz VFXVHHKCGPYSEX-HOCLYGCPSA-N 1 0 330.388 2.753 20 5 EFBDRO O=C(C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000061761461 472719322 /nfs/dbraw/zinc/71/93/22/472719322.db2.gz VJHVXEQGFIQVKF-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156530319 472719727 /nfs/dbraw/zinc/71/97/27/472719727.db2.gz MNUJDIUFHUCQNK-YOEHRIQHSA-N 1 0 330.388 2.753 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072823796 472721509 /nfs/dbraw/zinc/72/15/09/472721509.db2.gz XPOCQQNSWRZLCM-OAHLLOKOSA-N 1 0 348.447 2.505 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000105159793 472729226 /nfs/dbraw/zinc/72/92/26/472729226.db2.gz RSCNRMAIVFLGFA-XJKSGUPXSA-N 1 0 332.404 2.536 20 5 EFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000078523903 472729323 /nfs/dbraw/zinc/72/93/23/472729323.db2.gz OLGOPXIBQRJDCT-LLVKDONJSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1cnc(N2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000078626115 472745021 /nfs/dbraw/zinc/74/50/21/472745021.db2.gz WHCUMHNJKMETIM-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO CCCNC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000078655991 472747941 /nfs/dbraw/zinc/74/79/41/472747941.db2.gz BCIHZHFXCWCJKD-UHFFFAOYSA-N 1 0 349.431 2.792 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000063097816 472754270 /nfs/dbraw/zinc/75/42/70/472754270.db2.gz JGIPLVODFKUHHE-ZDUSSCGKSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1nn(C)c(NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000063255623 472761195 /nfs/dbraw/zinc/76/11/95/472761195.db2.gz LJVAPXIGKMBLHI-UHFFFAOYSA-N 1 0 343.431 2.961 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000120925040 472769210 /nfs/dbraw/zinc/76/92/10/472769210.db2.gz QHSAYQKWIHJYNJ-ABAIWWIYSA-N 1 0 339.823 2.589 20 5 EFBDRO C[NH+](C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])C1CC1 ZINC000091481981 472772390 /nfs/dbraw/zinc/77/23/90/472772390.db2.gz AYTDYACMCNRNMK-JTQLQIEISA-N 1 0 329.198 2.504 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157206856 472796886 /nfs/dbraw/zinc/79/68/86/472796886.db2.gz GLAPRCLMQVJYJA-USQNJUIBSA-N 1 0 329.400 2.551 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133414599 472800283 /nfs/dbraw/zinc/80/02/83/472800283.db2.gz OURHCTUBAGRRCZ-UHFFFAOYSA-N 1 0 337.395 2.928 20 5 EFBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000133436126 472802938 /nfs/dbraw/zinc/80/29/38/472802938.db2.gz QVUXDVRPTSOAEM-PXAZEXFGSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000063758071 472811477 /nfs/dbraw/zinc/81/14/77/472811477.db2.gz WBTWHHAHTQMCIX-HNNXBMFYSA-N 1 0 349.431 2.744 20 5 EFBDRO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000133520815 472813102 /nfs/dbraw/zinc/81/31/02/472813102.db2.gz FMYFHCFLFHOEIJ-CMPLNLGQSA-N 1 0 330.388 2.517 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000063778434 472814227 /nfs/dbraw/zinc/81/42/27/472814227.db2.gz IWUFJZFKWZSODO-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000063802670 472814796 /nfs/dbraw/zinc/81/47/96/472814796.db2.gz UZQLETHMYFSCBS-UGSOOPFHSA-N 1 0 349.431 2.844 20 5 EFBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000091899063 472823789 /nfs/dbraw/zinc/82/37/89/472823789.db2.gz CGCLJSKNKYQSLR-RISCZKNCSA-N 1 0 343.221 2.950 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073530016 472824703 /nfs/dbraw/zinc/82/47/03/472824703.db2.gz JZYWLMBLBABVHS-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO [NH3+][C@H](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000157469017 472825021 /nfs/dbraw/zinc/82/50/21/472825021.db2.gz VXPICTXJTBFGBO-GOSISDBHSA-N 1 0 339.395 2.960 20 5 EFBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000133672893 472829746 /nfs/dbraw/zinc/82/97/46/472829746.db2.gz FZERDYVOVZROMD-CQSZACIVSA-N 1 0 337.420 2.539 20 5 EFBDRO O=C(C1CC1)N1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000121395900 472845512 /nfs/dbraw/zinc/84/55/12/472845512.db2.gz FXFJVTBKZOGXAA-UHFFFAOYSA-N 1 0 337.807 2.693 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121410345 472847612 /nfs/dbraw/zinc/84/76/12/472847612.db2.gz LVSHEFPCPDZRJO-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000092072486 472852838 /nfs/dbraw/zinc/85/28/38/472852838.db2.gz UBFAURHILLSUKD-GFCCVEGCSA-N 1 0 346.387 2.715 20 5 EFBDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000121451813 472853480 /nfs/dbraw/zinc/85/34/80/472853480.db2.gz VWPRCALNEJVQDA-UHFFFAOYSA-N 1 0 346.431 2.753 20 5 EFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000064739185 472874117 /nfs/dbraw/zinc/87/41/17/472874117.db2.gz BADWVHLSLWSVSB-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157948438 472876943 /nfs/dbraw/zinc/87/69/43/472876943.db2.gz UADZDZNHARFZPE-INIZCTEOSA-N 1 0 346.431 2.755 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000157965378 472879040 /nfs/dbraw/zinc/87/90/40/472879040.db2.gz IYNYNGVFZJYBRJ-UHFFFAOYSA-N 1 0 340.387 2.547 20 5 EFBDRO Cc1nn(C)c2ncc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc12 ZINC000157974488 472880025 /nfs/dbraw/zinc/88/00/25/472880025.db2.gz PUADXOUSDHKCLV-UHFFFAOYSA-N 1 0 325.372 2.517 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000121655373 472886387 /nfs/dbraw/zinc/88/63/87/472886387.db2.gz HYGMLLZIEGYZDJ-UHFFFAOYSA-N 1 0 331.372 2.960 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000106788030 472891173 /nfs/dbraw/zinc/89/11/73/472891173.db2.gz YRZZNWHGFBOHBE-LBPRGKRZSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000073897735 472897327 /nfs/dbraw/zinc/89/73/27/472897327.db2.gz KOBJRXMLRWFOPH-HNNXBMFYSA-N 1 0 348.447 2.557 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(F)F)C1CC1 ZINC000106872985 472904360 /nfs/dbraw/zinc/90/43/60/472904360.db2.gz YHFKVYUBPMACNX-UHFFFAOYSA-N 1 0 327.331 2.961 20 5 EFBDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000092406807 472908158 /nfs/dbraw/zinc/90/81/58/472908158.db2.gz QCHRUQXECSPUCX-KRWDZBQOSA-N 1 0 344.415 2.996 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000121841518 472927831 /nfs/dbraw/zinc/92/78/31/472927831.db2.gz PKLIWKHQQAJDEI-LSDHHAIUSA-N 1 0 348.403 2.753 20 5 EFBDRO CCC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121850452 472928976 /nfs/dbraw/zinc/92/89/76/472928976.db2.gz BKLDONHSRMXDJS-CQSZACIVSA-N 1 0 339.411 2.667 20 5 EFBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000158373414 472929408 /nfs/dbraw/zinc/92/94/08/472929408.db2.gz RNRXFTONCHWUET-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121866333 472932171 /nfs/dbraw/zinc/93/21/71/472932171.db2.gz RDUYMJVZDSOROS-AWEZNQCLSA-N 1 0 333.413 2.997 20 5 EFBDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121866480 472932883 /nfs/dbraw/zinc/93/28/83/472932883.db2.gz RDUYMJVZDSOROS-CQSZACIVSA-N 1 0 333.413 2.997 20 5 EFBDRO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000079914664 472940516 /nfs/dbraw/zinc/94/05/16/472940516.db2.gz QSHNAURRUMBGRI-CQSZACIVSA-N 1 0 348.447 2.877 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1OCC[NH+](C)C ZINC000092627289 472948339 /nfs/dbraw/zinc/94/83/39/472948339.db2.gz KZMHCUZKLYEGFS-UHFFFAOYSA-N 1 0 330.388 2.851 20 5 EFBDRO CCCC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122006556 472962442 /nfs/dbraw/zinc/96/24/42/472962442.db2.gz LAJZJZBXAUTMML-UHFFFAOYSA-N 1 0 333.432 2.826 20 5 EFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092733855 472974068 /nfs/dbraw/zinc/97/40/68/472974068.db2.gz UKYABIPMSAQKHH-CDVVCGDMSA-N 1 0 331.416 2.846 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134850037 472976752 /nfs/dbraw/zinc/97/67/52/472976752.db2.gz SNXOITGWZXMYFH-UHFFFAOYSA-N 1 0 327.812 2.908 20 5 EFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000122115617 472976995 /nfs/dbraw/zinc/97/69/95/472976995.db2.gz IZBSRAGVUKRHTB-UHFFFAOYSA-N 1 0 339.311 2.768 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080110825 472979162 /nfs/dbraw/zinc/97/91/62/472979162.db2.gz USRLTQRMTGLZFW-CYBMUJFWSA-N 1 0 336.436 2.859 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080110832 472979413 /nfs/dbraw/zinc/97/94/13/472979413.db2.gz USRLTQRMTGLZFW-ZDUSSCGKSA-N 1 0 336.436 2.859 20 5 EFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134878676 472981684 /nfs/dbraw/zinc/98/16/84/472981684.db2.gz YHRCGCCGKKJCKH-BEFAXECRSA-N 1 0 345.443 2.922 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134904956 472986971 /nfs/dbraw/zinc/98/69/71/472986971.db2.gz GRZBEZHNBWFELZ-ZDUSSCGKSA-N 1 0 325.796 2.852 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134913370 472987414 /nfs/dbraw/zinc/98/74/14/472987414.db2.gz HODWYJOKSHEMQQ-WBVHZDCISA-N 1 0 345.443 2.922 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000074336875 472991356 /nfs/dbraw/zinc/99/13/56/472991356.db2.gz JYHIYCAEYVZZCM-UHFFFAOYSA-N 1 0 337.420 2.599 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000074333152 472991362 /nfs/dbraw/zinc/99/13/62/472991362.db2.gz KFBSTJQXJPBJPE-UHFFFAOYSA-N 1 0 347.419 2.710 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000074332008 472991400 /nfs/dbraw/zinc/99/14/00/472991400.db2.gz NFGPZJRMGDSGNU-UHFFFAOYSA-N 1 0 337.420 2.599 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000074330892 472991415 /nfs/dbraw/zinc/99/14/15/472991415.db2.gz BZTUJKJUKMPKQJ-UHFFFAOYSA-N 1 0 325.384 2.973 20 5 EFBDRO CCc1nn(C)c(NC[C@@H](c2ccccc2OC)[NH+](C)C)c1[N+](=O)[O-] ZINC000092827018 472995025 /nfs/dbraw/zinc/99/50/25/472995025.db2.gz JOVZFDRKTFCNLJ-AWEZNQCLSA-N 1 0 347.419 2.614 20 5 EFBDRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159149850 473002982 /nfs/dbraw/zinc/00/29/82/473002982.db2.gz ILPXZIWQYPDYAC-UHFFFAOYSA-N 1 0 343.383 2.595 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000050989626 473016028 /nfs/dbraw/zinc/01/60/28/473016028.db2.gz DHCQLYHQQNGCOU-UHFFFAOYSA-N 1 0 333.388 2.662 20 5 EFBDRO COc1ccc(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000050989345 473016960 /nfs/dbraw/zinc/01/69/60/473016960.db2.gz RWBWGAMIYVZTBP-UHFFFAOYSA-N 1 0 333.388 2.662 20 5 EFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051058456 473022409 /nfs/dbraw/zinc/02/24/09/473022409.db2.gz XAKPOKYIYQQCGS-OAHLLOKOSA-N 1 0 349.431 2.732 20 5 EFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065910460 473026879 /nfs/dbraw/zinc/02/68/79/473026879.db2.gz XDWSALMXCIYVTL-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[C@H]1CCCN1C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241451 473042224 /nfs/dbraw/zinc/04/22/24/473042224.db2.gz HGVACWNXKVNHCX-AWEZNQCLSA-N 1 0 331.416 2.960 20 5 EFBDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000159600474 473042864 /nfs/dbraw/zinc/04/28/64/473042864.db2.gz CGNLNEYEXNPAMF-BBRMVZONSA-N 1 0 329.400 2.748 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051383495 473045784 /nfs/dbraw/zinc/04/57/84/473045784.db2.gz ADUNIULMLPNIIQ-CYBMUJFWSA-N 1 0 346.412 2.542 20 5 EFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000066137614 473047269 /nfs/dbraw/zinc/04/72/69/473047269.db2.gz PCOWFGKAPUDUOT-AWEZNQCLSA-N 1 0 348.447 2.655 20 5 EFBDRO C[N@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCSC1 ZINC000135274791 473047715 /nfs/dbraw/zinc/04/77/15/473047715.db2.gz MRGKTUOHTOURFO-MRXNPFEDSA-N 1 0 349.456 2.523 20 5 EFBDRO O=C(NCC[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051468364 473051265 /nfs/dbraw/zinc/05/12/65/473051265.db2.gz VUCBIRDKTWOVGX-UHFFFAOYSA-N 1 0 346.412 2.544 20 5 EFBDRO Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000074746546 473055919 /nfs/dbraw/zinc/05/59/19/473055919.db2.gz MBHAJJZHKIMBEK-GASCZTMLSA-N 1 0 348.447 2.624 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000159768574 473059061 /nfs/dbraw/zinc/05/90/61/473059061.db2.gz CFGRGKUFJKJUPE-QGZVFWFLSA-N 1 0 341.411 2.854 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000122807735 473060763 /nfs/dbraw/zinc/06/07/63/473060763.db2.gz MRYDJCPUHYZURW-UHFFFAOYSA-N 1 0 338.408 2.655 20 5 EFBDRO Cc1ccc(C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000051965360 473074550 /nfs/dbraw/zinc/07/45/50/473074550.db2.gz DJQNKKWAHOGMDC-MRXNPFEDSA-N 1 0 346.383 2.901 20 5 EFBDRO CCOc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000080775337 473083292 /nfs/dbraw/zinc/08/32/92/473083292.db2.gz ZBYIWWRZVSOMGD-ZIAGYGMSSA-N 1 0 337.420 2.905 20 5 EFBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000123012213 473086051 /nfs/dbraw/zinc/08/60/51/473086051.db2.gz MHIMTQHANAJODC-OLZOCXBDSA-N 1 0 333.388 2.871 20 5 EFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052101224 473086064 /nfs/dbraw/zinc/08/60/64/473086064.db2.gz PUSPUUITHBKXPF-HNNXBMFYSA-N 1 0 341.415 2.612 20 5 EFBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000135630342 473102134 /nfs/dbraw/zinc/10/21/34/473102134.db2.gz PMNQZINIMDVAOG-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c2c(c1)COCO2 ZINC000066537315 473110764 /nfs/dbraw/zinc/11/07/64/473110764.db2.gz VNULHOMJFCRNLR-MRXNPFEDSA-N 1 0 347.415 2.522 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000080961631 473113401 /nfs/dbraw/zinc/11/34/01/473113401.db2.gz YZKRVBPTMXEGNJ-CYBMUJFWSA-N 1 0 343.387 2.526 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093506097 473113397 /nfs/dbraw/zinc/11/33/97/473113397.db2.gz VACRZISFYRXOIP-IUODEOHRSA-N 1 0 336.388 2.613 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135804572 473113708 /nfs/dbraw/zinc/11/37/08/473113708.db2.gz HWWKQIOOIGQNGU-GFCCVEGCSA-N 1 0 349.456 2.921 20 5 EFBDRO Cn1cc(C[N@H+](C)CC2(O)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093502974 473114544 /nfs/dbraw/zinc/11/45/44/473114544.db2.gz QVDLZIIPQCEGKU-UHFFFAOYSA-N 1 0 344.415 2.732 20 5 EFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123232423 473114668 /nfs/dbraw/zinc/11/46/68/473114668.db2.gz CSDZZNNSSDMMRR-QKOWSDGPSA-N 1 0 335.379 2.688 20 5 EFBDRO COCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534375 473115850 /nfs/dbraw/zinc/11/58/50/473115850.db2.gz OCUKOVJBSMVFOS-INIZCTEOSA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109782452 473119755 /nfs/dbraw/zinc/11/97/55/473119755.db2.gz VXKZQWKGLYKZDO-DYVFJYSZSA-N 1 0 346.383 2.733 20 5 EFBDRO CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000160577730 473145355 /nfs/dbraw/zinc/14/53/55/473145355.db2.gz XHNJWTWUHNNJTD-LBPRGKRZSA-N 1 0 333.310 2.704 20 5 EFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000081125898 473153009 /nfs/dbraw/zinc/15/30/09/473153009.db2.gz BIGABNRLYKTHOC-GOSISDBHSA-N 1 0 339.395 2.941 20 5 EFBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052835593 473153810 /nfs/dbraw/zinc/15/38/10/473153810.db2.gz IKCIIVWJMRTRDU-GOSISDBHSA-N 1 0 339.395 2.701 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000093971361 473165733 /nfs/dbraw/zinc/16/57/33/473165733.db2.gz VEQUZRNAKDMNLQ-HUUCEWRRSA-N 1 0 331.416 2.877 20 5 EFBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000136652284 473170371 /nfs/dbraw/zinc/17/03/71/473170371.db2.gz OYVFUTHLFSJZRU-YMTOWFKASA-N 1 0 341.795 2.590 20 5 EFBDRO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000053048712 473177501 /nfs/dbraw/zinc/17/75/01/473177501.db2.gz LJRQFOHRBQVSPD-OAHLLOKOSA-N 1 0 341.411 2.947 20 5 EFBDRO COC[C@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548314 480034068 /nfs/dbraw/zinc/03/40/68/480034068.db2.gz LCGBGYORLMZUIB-ZDUSSCGKSA-N 1 0 336.388 2.615 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548313 480034110 /nfs/dbraw/zinc/03/41/10/480034110.db2.gz LCGBGYORLMZUIB-CYBMUJFWSA-N 1 0 336.388 2.615 20 5 EFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136914330 473184271 /nfs/dbraw/zinc/18/42/71/473184271.db2.gz ZPZRIJVNXPCZCW-SGTLLEGYSA-N 1 0 343.383 2.937 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081334770 473187065 /nfs/dbraw/zinc/18/70/65/473187065.db2.gz AYBRNBFVOUMQAW-OAHLLOKOSA-N 1 0 349.431 2.554 20 5 EFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000081362768 473190980 /nfs/dbraw/zinc/19/09/80/473190980.db2.gz OZYACLFDVZAFBL-HZRUHFOJSA-N 1 0 349.406 2.937 20 5 EFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123838266 473192045 /nfs/dbraw/zinc/19/20/45/473192045.db2.gz XQAMOWRTLQBLJS-OAHLLOKOSA-N 1 0 344.415 2.662 20 5 EFBDRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794239 473394816 /nfs/dbraw/zinc/39/48/16/473394816.db2.gz VREYCGPAIYGYPQ-CQSZACIVSA-N 1 0 344.415 2.923 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000177540181 473395890 /nfs/dbraw/zinc/39/58/90/473395890.db2.gz FAYCCTFIIWOCIC-GJZGRUSLSA-N 1 0 346.431 2.772 20 5 EFBDRO O=C1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000125382595 473402328 /nfs/dbraw/zinc/40/23/28/473402328.db2.gz RUHKNSIRJNKLDX-CRAIPNDOSA-N 1 0 343.427 2.613 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000177593100 473403548 /nfs/dbraw/zinc/40/35/48/473403548.db2.gz HDOMIDUMDNPDSC-GHMZBOCLSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000177683192 473416963 /nfs/dbraw/zinc/41/69/63/473416963.db2.gz MVKCHJWGONZPIP-CABCVRRESA-N 1 0 332.404 2.994 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000185417758 473420683 /nfs/dbraw/zinc/42/06/83/473420683.db2.gz OTFDYQXFMYZPHS-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000125510000 473421360 /nfs/dbraw/zinc/42/13/60/473421360.db2.gz DGOZJVSGESKPPV-UHFFFAOYSA-N 1 0 346.412 2.542 20 5 EFBDRO COCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000151193064 473423394 /nfs/dbraw/zinc/42/33/94/473423394.db2.gz LJIJCQVFXUUZRJ-UHFFFAOYSA-N 1 0 344.415 2.902 20 5 EFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000125600430 473432338 /nfs/dbraw/zinc/43/23/38/473432338.db2.gz ZXSHXADLFFKAJS-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000177782775 473433689 /nfs/dbraw/zinc/43/36/89/473433689.db2.gz KIDRHDWFRHSDEZ-ZHANPKHBSA-N 1 0 329.400 2.693 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000177781990 473434252 /nfs/dbraw/zinc/43/42/52/473434252.db2.gz UUVMIBAUOXZGRQ-UKMLVYKYSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185523570 473448861 /nfs/dbraw/zinc/44/88/61/473448861.db2.gz ZXQBXPPXXKDTSZ-OGHNNQOOSA-N 1 0 349.406 2.780 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000125736453 473451893 /nfs/dbraw/zinc/45/18/93/473451893.db2.gz XSFNGHOYBQMNLB-ZDUSSCGKSA-N 1 0 325.368 2.835 20 5 EFBDRO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000114383547 473458269 /nfs/dbraw/zinc/45/82/69/473458269.db2.gz HCKQFPWLCHHXJE-UHFFFAOYSA-N 1 0 337.395 2.926 20 5 EFBDRO COC1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000163634755 473460359 /nfs/dbraw/zinc/46/03/59/473460359.db2.gz YRJPYLWGKXJZTE-SFHVURJKSA-N 1 0 347.459 2.616 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000125844538 473463877 /nfs/dbraw/zinc/46/38/77/473463877.db2.gz ZYNSXPSFNJSANF-DOMZBBRYSA-N 1 0 328.372 2.823 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000151512028 473467088 /nfs/dbraw/zinc/46/70/88/473467088.db2.gz RMRNAOADQHEFMH-HIFRSBDPSA-N 1 0 332.404 2.851 20 5 EFBDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000151512096 473467203 /nfs/dbraw/zinc/46/72/03/473467203.db2.gz RMRNAOADQHEFMH-DZGCQCFKSA-N 1 0 332.404 2.851 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178163364 473471505 /nfs/dbraw/zinc/47/15/05/473471505.db2.gz FGFMHYMOQUBGSE-HNNXBMFYSA-N 1 0 331.416 2.866 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151619295 473479222 /nfs/dbraw/zinc/47/92/22/473479222.db2.gz GLLKTRNENNBPAQ-CQSZACIVSA-N 1 0 348.447 2.999 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000126147841 473492147 /nfs/dbraw/zinc/49/21/47/473492147.db2.gz GISNDVJIKLWWTH-ZDUSSCGKSA-N 1 0 337.807 2.949 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000126218403 473499162 /nfs/dbraw/zinc/49/91/62/473499162.db2.gz VUOKZOPXNAGROQ-OAHLLOKOSA-N 1 0 333.432 2.636 20 5 EFBDRO CCC(CC)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000165345481 473510612 /nfs/dbraw/zinc/51/06/12/473510612.db2.gz SJDMWMQWYOQHKO-UHFFFAOYSA-N 1 0 349.387 2.915 20 5 EFBDRO Cc1c(Br)c(N[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000165751229 473515265 /nfs/dbraw/zinc/51/52/65/473515265.db2.gz AKJJOVHSXIKHIT-VIFPVBQESA-N 1 0 341.209 2.709 20 5 EFBDRO Cc1c(Br)c(NCC[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000165759588 473515615 /nfs/dbraw/zinc/51/56/15/473515615.db2.gz ATOOMMBGUUIBKQ-UHFFFAOYSA-N 1 0 331.214 2.813 20 5 EFBDRO Cc1c(Br)c(N2CCC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165824481 473516932 /nfs/dbraw/zinc/51/69/32/473516932.db2.gz ZKSVDIUATKUKKU-JTQLQIEISA-N 1 0 343.225 2.626 20 5 EFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165979398 473518897 /nfs/dbraw/zinc/51/88/97/473518897.db2.gz YTMQNJHEUUNDTR-NSHDSACASA-N 1 0 344.209 2.605 20 5 EFBDRO COc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c1C ZINC000191279312 473522801 /nfs/dbraw/zinc/52/28/01/473522801.db2.gz RCFMSWFQASUVRQ-UHFFFAOYSA-N 1 0 337.420 2.572 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152114721 473526350 /nfs/dbraw/zinc/52/63/50/473526350.db2.gz NYGYEHXDURDZBY-AWEZNQCLSA-N 1 0 327.388 2.970 20 5 EFBDRO Cc1c(CC(=O)N2CC[N@@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000126649014 473533058 /nfs/dbraw/zinc/53/30/58/473533058.db2.gz VLEGIFYWWFWZMT-UHFFFAOYSA-N 1 0 345.443 2.923 20 5 EFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCOC1 ZINC000178788071 473564048 /nfs/dbraw/zinc/56/40/48/473564048.db2.gz SCIWUVIDUYCZRH-QWRGUYRKSA-N 1 0 341.795 2.544 20 5 EFBDRO C[NH+]1CCC(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170640170 473570579 /nfs/dbraw/zinc/57/05/79/473570579.db2.gz KZFFYHOBFQBGMD-UHFFFAOYSA-N 1 0 332.404 2.623 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000178863538 473581339 /nfs/dbraw/zinc/58/13/39/473581339.db2.gz JSJYMMORRFGEQZ-GOSISDBHSA-N 1 0 333.432 2.579 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178869362 473582253 /nfs/dbraw/zinc/58/22/53/473582253.db2.gz QYQOBZSJCGLJTM-INIZCTEOSA-N 1 0 348.447 2.762 20 5 EFBDRO CN(C)c1noc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000191898435 473587653 /nfs/dbraw/zinc/58/76/53/473587653.db2.gz MVKZHJUYTGMSGV-TZMCWYRMSA-N 1 0 345.403 2.545 20 5 EFBDRO CCC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127307802 473598111 /nfs/dbraw/zinc/59/81/11/473598111.db2.gz MRRMGXQUKBYFCS-IUODEOHRSA-N 1 0 328.434 2.849 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000152888684 473598185 /nfs/dbraw/zinc/59/81/85/473598185.db2.gz YEFZCAIDTCJQOG-CYBMUJFWSA-N 1 0 336.436 2.877 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000170778707 473612403 /nfs/dbraw/zinc/61/24/03/473612403.db2.gz OYVRVHIFHVLPLQ-UHFFFAOYSA-N 1 0 332.429 2.759 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127490936 473618581 /nfs/dbraw/zinc/61/85/81/473618581.db2.gz CMPIWPSGOIHYDZ-CHWSQXEVSA-N 1 0 335.404 2.910 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)cc1[N+](=O)[O-] ZINC000153336070 473619239 /nfs/dbraw/zinc/61/92/39/473619239.db2.gz ULWQDBFSPCXQHI-JSGCOSHPSA-N 1 0 337.420 2.805 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000172511347 473628639 /nfs/dbraw/zinc/62/86/39/473628639.db2.gz GGAOXDIPAYFWDZ-AWEZNQCLSA-N 1 0 337.807 2.949 20 5 EFBDRO O=C1NCCCC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179135294 473636038 /nfs/dbraw/zinc/63/60/38/473636038.db2.gz AFMPDOXRPCBIIA-CWRNSKLLSA-N 1 0 331.416 2.564 20 5 EFBDRO O=C1NCCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179135313 473636982 /nfs/dbraw/zinc/63/69/82/473636982.db2.gz AFMPDOXRPCBIIA-NUEKZKHPSA-N 1 0 331.416 2.564 20 5 EFBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000127713580 473642471 /nfs/dbraw/zinc/64/24/71/473642471.db2.gz WJWJJOUTEMYRED-CQSZACIVSA-N 1 0 349.431 2.581 20 5 EFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000192180022 473642617 /nfs/dbraw/zinc/64/26/17/473642617.db2.gz BRNIRJXCGYIFSB-LLVKDONJSA-N 1 0 341.408 2.890 20 5 EFBDRO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000170899203 473643089 /nfs/dbraw/zinc/64/30/89/473643089.db2.gz VOUDFDRXQXTFPJ-CYBMUJFWSA-N 1 0 334.420 2.687 20 5 EFBDRO C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH2+]1 ZINC000153819716 473644169 /nfs/dbraw/zinc/64/41/69/473644169.db2.gz IZOBEKJCIFUJGH-QWRGUYRKSA-N 1 0 346.412 2.541 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000154016245 473659268 /nfs/dbraw/zinc/65/92/68/473659268.db2.gz JMXCBSWFWHBPQE-QGZVFWFLSA-N 1 0 330.384 2.775 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000154102947 473667713 /nfs/dbraw/zinc/66/77/13/473667713.db2.gz IEUYJPZRXQQFSX-LBPRGKRZSA-N 1 0 325.434 2.897 20 5 EFBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186496854 473682066 /nfs/dbraw/zinc/68/20/66/473682066.db2.gz QCFCJODTXAVOMO-YVEFUNNKSA-N 1 0 342.399 2.598 20 5 EFBDRO C[C@@]([NH3+])(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000192469982 473683042 /nfs/dbraw/zinc/68/30/42/473683042.db2.gz SMFOZWBHZNLBMR-IBGZPJMESA-N 1 0 341.411 2.908 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000179395497 473684439 /nfs/dbraw/zinc/68/44/39/473684439.db2.gz XFSILSXUIFTOBH-LBPRGKRZSA-N 1 0 347.371 2.667 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)c1ccco1 ZINC000186524723 473685737 /nfs/dbraw/zinc/68/57/37/473685737.db2.gz PUHPOOMCZNZYEO-WFASDCNBSA-N 1 0 347.371 2.618 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000192511986 473687529 /nfs/dbraw/zinc/68/75/29/473687529.db2.gz OEODRPDXKOZTOI-KRWDZBQOSA-N 1 0 325.368 2.935 20 5 EFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000172832023 473690303 /nfs/dbraw/zinc/69/03/03/473690303.db2.gz NHGIKJSVBBTANN-HNNXBMFYSA-N 1 0 348.447 2.730 20 5 EFBDRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172835950 473691342 /nfs/dbraw/zinc/69/13/42/473691342.db2.gz IETIBRPJUMFIKA-CQSZACIVSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172839007 473691427 /nfs/dbraw/zinc/69/14/27/473691427.db2.gz OWOHGXPVEYZGLD-CYBMUJFWSA-N 1 0 335.404 2.550 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172839015 473691433 /nfs/dbraw/zinc/69/14/33/473691433.db2.gz OWOHGXPVEYZGLD-ZDUSSCGKSA-N 1 0 335.404 2.550 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000186570391 473691664 /nfs/dbraw/zinc/69/16/64/473691664.db2.gz LYJNBCCRVUJYOO-YPMHNXCESA-N 1 0 337.445 2.729 20 5 EFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192610938 473696451 /nfs/dbraw/zinc/69/64/51/473696451.db2.gz PKWKVCIVIAJYOG-PKOBYXMFSA-N 1 0 347.459 2.919 20 5 EFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192632111 473698109 /nfs/dbraw/zinc/69/81/09/473698109.db2.gz NFFXHKXVLGHQKD-BBRMVZONSA-N 1 0 331.416 2.994 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274006020 473701118 /nfs/dbraw/zinc/70/11/18/473701118.db2.gz UHAHOUUUOYSJMN-HIFRSBDPSA-N 1 0 327.388 2.707 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000179644963 473701887 /nfs/dbraw/zinc/70/18/87/473701887.db2.gz HQQDGTRWCASWHC-UHFFFAOYSA-N 1 0 337.445 2.923 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000192715510 473711004 /nfs/dbraw/zinc/71/10/04/473711004.db2.gz KBSCSHRSGCMKRO-SUMWQHHRSA-N 1 0 331.416 2.963 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000287630134 473717307 /nfs/dbraw/zinc/71/73/07/473717307.db2.gz QEYOINQNNLOMHW-HIFRSBDPSA-N 1 0 332.404 2.994 20 5 EFBDRO COc1cccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000192765046 473720092 /nfs/dbraw/zinc/72/00/92/473720092.db2.gz UCFQBXIVMKNEAU-QGZVFWFLSA-N 1 0 330.388 2.900 20 5 EFBDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766151 473721032 /nfs/dbraw/zinc/72/10/32/473721032.db2.gz HMRYVBDAJGQYOM-UHFFFAOYSA-N 1 0 343.427 2.960 20 5 EFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000192769250 473721912 /nfs/dbraw/zinc/72/19/12/473721912.db2.gz TYQDWPUBDVNGDE-UHFFFAOYSA-N 1 0 326.400 2.542 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000287680544 473732695 /nfs/dbraw/zinc/73/26/95/473732695.db2.gz JLKMWMGPFQQSRR-CYBMUJFWSA-N 1 0 335.404 2.710 20 5 EFBDRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179813639 473732859 /nfs/dbraw/zinc/73/28/59/473732859.db2.gz QLKDRBGPKNYZKW-UHFFFAOYSA-N 1 0 343.383 2.909 20 5 EFBDRO CCOC(=O)C[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000186704670 473734043 /nfs/dbraw/zinc/73/40/43/473734043.db2.gz LAMGSJCZMMEQJC-RDJZCZTQSA-N 1 0 338.404 2.586 20 5 EFBDRO CCOC(=O)C[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000186704711 473734270 /nfs/dbraw/zinc/73/42/70/473734270.db2.gz LAMGSJCZMMEQJC-WBVHZDCISA-N 1 0 338.404 2.586 20 5 EFBDRO CC1(C)CN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000192831890 473734207 /nfs/dbraw/zinc/73/42/07/473734207.db2.gz DVTNVPXFRNUZBO-KRWDZBQOSA-N 1 0 333.432 2.673 20 5 EFBDRO Cc1nccn1-c1ncccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173134183 473753037 /nfs/dbraw/zinc/75/30/37/473753037.db2.gz SJEXFJQZJHWVCC-UHFFFAOYSA-N 1 0 337.339 2.665 20 5 EFBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192992248 473757569 /nfs/dbraw/zinc/75/75/69/473757569.db2.gz YIOTZVODEBBWSE-OAHLLOKOSA-N 1 0 340.445 2.775 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274297817 473775811 /nfs/dbraw/zinc/77/58/11/473775811.db2.gz STBPMKPEIJRVAK-HIFRSBDPSA-N 1 0 332.404 2.960 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281594718 473777628 /nfs/dbraw/zinc/77/76/28/473777628.db2.gz NUYLZCCYFSMXDO-CQSZACIVSA-N 1 0 337.420 2.519 20 5 EFBDRO CCC[NH+](CCC)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269342292 473779595 /nfs/dbraw/zinc/77/95/95/473779595.db2.gz HWYUJYUUKRRBOX-UHFFFAOYSA-N 1 0 339.440 2.683 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000193315182 473780492 /nfs/dbraw/zinc/78/04/92/473780492.db2.gz AGFUFFAOBXMFCU-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000193315196 473781186 /nfs/dbraw/zinc/78/11/86/473781186.db2.gz AGFUFFAOBXMFCU-MRXNPFEDSA-N 1 0 330.384 2.775 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173255661 473782079 /nfs/dbraw/zinc/78/20/79/473782079.db2.gz KAWUEKFEEDTJRM-INIZCTEOSA-N 1 0 331.416 2.518 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173259540 473783949 /nfs/dbraw/zinc/78/39/49/473783949.db2.gz IRJYGIDGAVTZMR-HNNXBMFYSA-N 1 0 331.416 2.898 20 5 EFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000281636880 473791224 /nfs/dbraw/zinc/79/12/24/473791224.db2.gz HBNOTGWZOBFQTK-UHFFFAOYSA-N 1 0 325.796 2.806 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000263655110 473794268 /nfs/dbraw/zinc/79/42/68/473794268.db2.gz CMCFFQYUBBZAGB-UHFFFAOYSA-N 1 0 346.431 2.789 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000281669216 473800976 /nfs/dbraw/zinc/80/09/76/473800976.db2.gz LLIXWCRCLGGDDU-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO CC(C)C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000193767351 473806592 /nfs/dbraw/zinc/80/65/92/473806592.db2.gz VZRNQXLFEAZKJU-CYBMUJFWSA-N 1 0 334.420 2.868 20 5 EFBDRO Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246282924 473815100 /nfs/dbraw/zinc/81/51/00/473815100.db2.gz NVFFJICULGKUOK-YJBOKZPZSA-N 1 0 343.427 2.879 20 5 EFBDRO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173357943 473815221 /nfs/dbraw/zinc/81/52/21/473815221.db2.gz BNNWJPRMKKNZND-LBPRGKRZSA-N 1 0 339.351 2.542 20 5 EFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000274433205 473821268 /nfs/dbraw/zinc/82/12/68/473821268.db2.gz FHHQPYIJTXEERM-CQSZACIVSA-N 1 0 343.431 2.581 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246308221 473823337 /nfs/dbraw/zinc/82/33/37/473823337.db2.gz DOKXDFLCLHNTBS-RDJZCZTQSA-N 1 0 335.448 2.821 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000193970472 473824687 /nfs/dbraw/zinc/82/46/87/473824687.db2.gz IHUBSOVCQSVKNV-LBPRGKRZSA-N 1 0 332.404 2.623 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173392510 473824861 /nfs/dbraw/zinc/82/48/61/473824861.db2.gz RQVMIZFZCPBTID-AWEZNQCLSA-N 1 0 339.395 2.830 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173392279 473825138 /nfs/dbraw/zinc/82/51/38/473825138.db2.gz RHGSASRSDGJVGH-CYBMUJFWSA-N 1 0 325.368 2.835 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000274451318 473829169 /nfs/dbraw/zinc/82/91/69/473829169.db2.gz WEDOGJDJJMSYEA-LLVKDONJSA-N 1 0 339.392 2.606 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000194035792 473830005 /nfs/dbraw/zinc/83/00/05/473830005.db2.gz LNRAVRXJBVSZLH-OUCADQQQSA-N 1 0 335.404 2.956 20 5 EFBDRO COc1ccc(OCC[NH2+]C(C)(C)c2nccs2)c([N+](=O)[O-])c1 ZINC000173417592 473832730 /nfs/dbraw/zinc/83/27/30/473832730.db2.gz BJNKZGFMZBDGJF-UHFFFAOYSA-N 1 0 337.401 2.964 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000274464762 473836359 /nfs/dbraw/zinc/83/63/59/473836359.db2.gz WAROOTKEDPFRCW-LLVKDONJSA-N 1 0 325.434 2.810 20 5 EFBDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281807981 473844074 /nfs/dbraw/zinc/84/40/74/473844074.db2.gz YTVKGVXPCDBRFE-LSDHHAIUSA-N 1 0 329.404 2.811 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000263779190 473845755 /nfs/dbraw/zinc/84/57/55/473845755.db2.gz VIWSQVNDCABUIH-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO CN1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000269648106 473849893 /nfs/dbraw/zinc/84/98/93/473849893.db2.gz FPQPRIWNQPGWCU-GOSISDBHSA-N 1 0 327.384 2.580 20 5 EFBDRO COCC[N@H+](CCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269649128 473852036 /nfs/dbraw/zinc/85/20/36/473852036.db2.gz LRZURHBAEZOJPM-LJQANCHMSA-N 1 0 344.411 2.819 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000281838270 473854758 /nfs/dbraw/zinc/85/47/58/473854758.db2.gz YFVWYPLPKJGBCP-OCCSQVGLSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(NCC2([NH+]3CCCC3)CCOCC2)c(F)c1 ZINC000269678360 473857617 /nfs/dbraw/zinc/85/76/17/473857617.db2.gz ZGHQKXTUBFYONL-UHFFFAOYSA-N 1 0 341.358 2.930 20 5 EFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000194224880 473862653 /nfs/dbraw/zinc/86/26/53/473862653.db2.gz UGPGFUDXHYKHHO-UHFFFAOYSA-N 1 0 337.807 2.852 20 5 EFBDRO CS[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246439200 473864539 /nfs/dbraw/zinc/86/45/39/473864539.db2.gz DCLSTIGCQLBBOY-CVEARBPZSA-N 1 0 349.456 2.918 20 5 EFBDRO Cc1c(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000269703937 473867857 /nfs/dbraw/zinc/86/78/57/473867857.db2.gz MQPANYBDUPYVMH-INIZCTEOSA-N 1 0 333.432 2.779 20 5 EFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000288185209 473869620 /nfs/dbraw/zinc/86/96/20/473869620.db2.gz RKRIXFRGJRZDEP-CQSZACIVSA-N 1 0 335.383 2.974 20 5 EFBDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180443730 473879363 /nfs/dbraw/zinc/87/93/63/473879363.db2.gz FQTNOOAVONOHKR-DYVFJYSZSA-N 1 0 348.374 2.962 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180447378 473879522 /nfs/dbraw/zinc/87/95/22/473879522.db2.gz XNNOTHYIPIIAKG-GFCCVEGCSA-N 1 0 331.347 2.701 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246499951 473882121 /nfs/dbraw/zinc/88/21/21/473882121.db2.gz HODWYJOKSHEMQQ-RDJZCZTQSA-N 1 0 345.443 2.922 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000173590909 473885214 /nfs/dbraw/zinc/88/52/14/473885214.db2.gz YNJYAWPTCVCRCU-GFCCVEGCSA-N 1 0 325.434 2.769 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288264780 473891980 /nfs/dbraw/zinc/89/19/80/473891980.db2.gz GQROWFNNBQNNEX-KBPBESRZSA-N 1 0 347.415 2.692 20 5 EFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000173649822 473902652 /nfs/dbraw/zinc/90/26/52/473902652.db2.gz YTRWZHQZPCZZJL-CYBMUJFWSA-N 1 0 346.387 2.585 20 5 EFBDRO CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274634962 473904261 /nfs/dbraw/zinc/90/42/61/473904261.db2.gz CXIGUIKKXAKKFQ-CHWSQXEVSA-N 1 0 342.852 2.659 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288315013 473906113 /nfs/dbraw/zinc/90/61/13/473906113.db2.gz ITASMULSNPZIPC-LLVKDONJSA-N 1 0 335.433 2.910 20 5 EFBDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274656394 473910760 /nfs/dbraw/zinc/91/07/60/473910760.db2.gz MIGMMFRTUPCCEQ-HNNXBMFYSA-N 1 0 340.420 2.624 20 5 EFBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C1 ZINC000194543921 473915655 /nfs/dbraw/zinc/91/56/55/473915655.db2.gz LUZLRFAQLILZKV-GASCZTMLSA-N 1 0 327.384 2.848 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000288360217 473920184 /nfs/dbraw/zinc/92/01/84/473920184.db2.gz KOTXAZNREBNRGA-GHMZBOCLSA-N 1 0 339.342 2.572 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000269934065 473923518 /nfs/dbraw/zinc/92/35/18/473923518.db2.gz NRUQSHUOWVFTEN-HXLFFGMLSA-N 1 0 342.395 2.682 20 5 EFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288393293 473930053 /nfs/dbraw/zinc/93/00/53/473930053.db2.gz MMBAAWLXPYBMCU-JSGCOSHPSA-N 1 0 342.399 2.775 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000264198225 473955821 /nfs/dbraw/zinc/95/58/21/473955821.db2.gz QJRGRYMQUBXEAE-UHFFFAOYSA-N 1 0 331.372 2.945 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246794254 473963766 /nfs/dbraw/zinc/96/37/66/473963766.db2.gz RJRQKVJZNQYTRQ-WMLDXEAASA-N 1 0 347.415 2.733 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000180811984 473970812 /nfs/dbraw/zinc/97/08/12/473970812.db2.gz RTTNVGYEZPNHAQ-LBPRGKRZSA-N 1 0 337.445 2.777 20 5 EFBDRO COc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000173998690 473971449 /nfs/dbraw/zinc/97/14/49/473971449.db2.gz RJUBROLLTAYTRJ-UHFFFAOYSA-N 1 0 349.431 2.685 20 5 EFBDRO CC(C)CCSc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194898953 473972281 /nfs/dbraw/zinc/97/22/81/473972281.db2.gz PLFZIOSFSTUSPN-NSHDSACASA-N 1 0 325.434 2.810 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288542909 473976260 /nfs/dbraw/zinc/97/62/60/473976260.db2.gz AAEVIAHTYPUNCJ-TXEJJXNPSA-N 1 0 347.337 2.809 20 5 EFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282194308 473976678 /nfs/dbraw/zinc/97/66/78/473976678.db2.gz CERKRCCQMIHFNF-DZGCQCFKSA-N 1 0 335.404 2.731 20 5 EFBDRO O=[N+]([O-])c1cc(CNCc2ccncc2OC[C@@H]2CCOC2)cs1 ZINC000288551953 473978974 /nfs/dbraw/zinc/97/89/74/473978974.db2.gz XVQYAUDNIWLYAX-GFCCVEGCSA-N 1 0 349.412 2.756 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288560595 473982205 /nfs/dbraw/zinc/98/22/05/473982205.db2.gz WFCIUTILTCCGQD-DGCLKSJQSA-N 1 0 337.807 2.947 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)n2)cc1 ZINC000246874443 473988528 /nfs/dbraw/zinc/98/85/28/473988528.db2.gz USMBOVIGROFNBD-DZGCQCFKSA-N 1 0 344.371 2.646 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288582858 473988969 /nfs/dbraw/zinc/98/89/69/473988969.db2.gz XNUFRDUVDSQIQN-VXGBXAGGSA-N 1 0 337.807 2.947 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000246880945 473989844 /nfs/dbraw/zinc/98/98/44/473989844.db2.gz LJUMBNFPAVPCQL-GJZGRUSLSA-N 1 0 348.447 2.504 20 5 EFBDRO CC(C)Oc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000288591476 473992773 /nfs/dbraw/zinc/99/27/73/473992773.db2.gz SKSAIFWRSQKXDG-HNNXBMFYSA-N 1 0 347.419 2.830 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000180987293 473996439 /nfs/dbraw/zinc/99/64/39/473996439.db2.gz BHKGYFNGYOQUCP-UHFFFAOYSA-N 1 0 346.431 2.515 20 5 EFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264462251 474001027 /nfs/dbraw/zinc/00/10/27/474001027.db2.gz JEFQTYIMJWJVGW-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246921567 474005633 /nfs/dbraw/zinc/00/56/33/474005633.db2.gz WFGVPKBPYYQADZ-WMLDXEAASA-N 1 0 347.415 2.733 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCCCC2 ZINC000282336727 474027103 /nfs/dbraw/zinc/02/71/03/474027103.db2.gz BMJFIIYPSTXXRC-UHFFFAOYSA-N 1 0 329.404 2.587 20 5 EFBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2cccc([N+](=O)[O-])c2C)O1 ZINC000282359172 474036160 /nfs/dbraw/zinc/03/61/60/474036160.db2.gz DDVHOGGFEKEWJV-FKSAFCJBSA-N 1 0 348.399 2.587 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181504142 474042268 /nfs/dbraw/zinc/04/22/68/474042268.db2.gz KHMFZAWJFIUBKV-QGZVFWFLSA-N 1 0 349.431 2.763 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181533989 474045274 /nfs/dbraw/zinc/04/52/74/474045274.db2.gz VGSFPJODCJRSLY-LBPRGKRZSA-N 1 0 329.356 2.898 20 5 EFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264575939 474045823 /nfs/dbraw/zinc/04/58/23/474045823.db2.gz INUMWBIUOQZDGF-NADMHLTPSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000181546464 474046813 /nfs/dbraw/zinc/04/68/13/474046813.db2.gz LRFVXCYPLHPKQC-LBPRGKRZSA-N 1 0 329.356 2.614 20 5 EFBDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181545374 474047330 /nfs/dbraw/zinc/04/73/30/474047330.db2.gz SGROEXFFDWIEPA-VXGBXAGGSA-N 1 0 329.356 2.978 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000282390080 474047396 /nfs/dbraw/zinc/04/73/96/474047396.db2.gz BSLSZZAUSQEFQM-UHFFFAOYSA-N 1 0 349.431 2.938 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270255200 474047830 /nfs/dbraw/zinc/04/78/30/474047830.db2.gz QWJOMASIGCBDJH-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(O)c1 ZINC000181559639 474049378 /nfs/dbraw/zinc/04/93/78/474049378.db2.gz WSXRQLPIPHFBNS-PXAZEXFGSA-N 1 0 341.367 2.757 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)C3CCCCC3)n2)c1 ZINC000264589420 474050033 /nfs/dbraw/zinc/05/00/33/474050033.db2.gz AHSWXYXXYGVQTC-UHFFFAOYSA-N 1 0 346.387 2.772 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264590562 474050221 /nfs/dbraw/zinc/05/02/21/474050221.db2.gz WCLIBUZNQUGAHA-OAHLLOKOSA-N 1 0 349.456 2.774 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1Br ZINC000275054168 474055001 /nfs/dbraw/zinc/05/50/01/474055001.db2.gz MSCILOSTWDSHKU-AAEUAGOBSA-N 1 0 343.221 2.998 20 5 EFBDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000270300741 474062635 /nfs/dbraw/zinc/06/26/35/474062635.db2.gz OCOGFZTYHJORCO-UHFFFAOYSA-N 1 0 344.415 2.561 20 5 EFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181885696 474068215 /nfs/dbraw/zinc/06/82/15/474068215.db2.gz OBPCCAWQBJOGRB-CYBMUJFWSA-N 1 0 335.404 2.685 20 5 EFBDRO CNC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282445840 474068691 /nfs/dbraw/zinc/06/86/91/474068691.db2.gz LKFJINZYCWRLBO-UHFFFAOYSA-N 1 0 327.384 2.629 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247148524 474075641 /nfs/dbraw/zinc/07/56/41/474075641.db2.gz ABJRHMVHGSZDGH-IINYFYTJSA-N 1 0 325.796 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264679173 474085495 /nfs/dbraw/zinc/08/54/95/474085495.db2.gz CALYOCMJOBBPPS-ZIAGYGMSSA-N 1 0 348.321 2.751 20 5 EFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182043884 474087008 /nfs/dbraw/zinc/08/70/08/474087008.db2.gz MMJBCWIEZYNKSP-GOEBONIOSA-N 1 0 345.399 2.510 20 5 EFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000264692354 474092923 /nfs/dbraw/zinc/09/29/23/474092923.db2.gz UCTSZFUVIQKBHY-GFCCVEGCSA-N 1 0 339.440 2.511 20 5 EFBDRO CC[NH+]1CCN(c2cccc(Nc3cccnc3[N+](=O)[O-])c2)CC1 ZINC000613704810 480084618 /nfs/dbraw/zinc/08/46/18/480084618.db2.gz SYONAIKLPJKUME-UHFFFAOYSA-N 1 0 327.388 2.875 20 5 EFBDRO C[N@H+](CCn1cc(Br)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000264714661 474099802 /nfs/dbraw/zinc/09/98/02/474099802.db2.gz NITKGKNYLZRFLZ-UHFFFAOYSA-N 1 0 339.193 2.686 20 5 EFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247251521 474101044 /nfs/dbraw/zinc/10/10/44/474101044.db2.gz AKSOBCQEWNQOTP-CZUORRHYSA-N 1 0 334.420 2.637 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1[NH+](C)C ZINC000270399460 474104639 /nfs/dbraw/zinc/10/46/39/474104639.db2.gz UZVQLSFOQYKCME-HZPDHXFCSA-N 1 0 332.429 2.625 20 5 EFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275209620 474105433 /nfs/dbraw/zinc/10/54/33/474105433.db2.gz JMCQISHHNZRVJI-KBPBESRZSA-N 1 0 341.795 2.734 20 5 EFBDRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182150434 474110020 /nfs/dbraw/zinc/11/00/20/474110020.db2.gz HODSMXLVGLXSEH-AWEZNQCLSA-N 1 0 337.420 2.715 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282566079 474112543 /nfs/dbraw/zinc/11/25/43/474112543.db2.gz ZAQOTHRLPWMXHK-QGZVFWFLSA-N 1 0 345.355 2.711 20 5 EFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182167198 474112605 /nfs/dbraw/zinc/11/26/05/474112605.db2.gz RXGCGQAYFBSXMR-CYBMUJFWSA-N 1 0 334.397 2.719 20 5 EFBDRO CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182178643 474115285 /nfs/dbraw/zinc/11/52/85/474115285.db2.gz AYVKLNJWGFWGCN-ZDUSSCGKSA-N 1 0 336.413 2.918 20 5 EFBDRO C[N@H+](CCCO)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182175501 474115979 /nfs/dbraw/zinc/11/59/79/474115979.db2.gz MDSUKBPEVPTUDJ-UHFFFAOYSA-N 1 0 341.839 2.527 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000275249091 474118869 /nfs/dbraw/zinc/11/88/69/474118869.db2.gz GMMASEQESAAFFD-YJBOKZPZSA-N 1 0 344.415 2.873 20 5 EFBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182196467 474120752 /nfs/dbraw/zinc/12/07/52/474120752.db2.gz BDDRPJWDWHBUKZ-LBPRGKRZSA-N 1 0 328.796 2.733 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247331543 474121744 /nfs/dbraw/zinc/12/17/44/474121744.db2.gz VBSNZECEUMWDMB-FZMZJTMJSA-N 1 0 337.807 2.805 20 5 EFBDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270478257 474134497 /nfs/dbraw/zinc/13/44/97/474134497.db2.gz IDRAFSOXXNKARF-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO C[NH+](C)Cc1ccccc1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000214314155 474136754 /nfs/dbraw/zinc/13/67/54/474136754.db2.gz HSOWEKREDXFABF-KHPPLWFESA-N 1 0 339.395 2.986 20 5 EFBDRO CC(C)C[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289071865 474139719 /nfs/dbraw/zinc/13/97/19/474139719.db2.gz AJJJQGJNHABWAE-CYBMUJFWSA-N 1 0 328.434 2.640 20 5 EFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000275311182 474140527 /nfs/dbraw/zinc/14/05/27/474140527.db2.gz NXCKSWWRQMOXSZ-RDJZCZTQSA-N 1 0 348.378 2.704 20 5 EFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000217150380 474141825 /nfs/dbraw/zinc/14/18/25/474141825.db2.gz DXPNEIOSCFBZNM-HZSPNIEDSA-N 1 0 348.447 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CCOCC3)c2c(c1)COCO2 ZINC000282648119 474142458 /nfs/dbraw/zinc/14/24/58/474142458.db2.gz KXGQMUKCAWJLJD-INIZCTEOSA-N 1 0 348.399 2.900 20 5 EFBDRO COCCn1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000282686255 474154846 /nfs/dbraw/zinc/15/48/46/474154846.db2.gz JZGCTDVGAAVZSD-CQSZACIVSA-N 1 0 332.404 2.549 20 5 EFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(Cl)c1 ZINC000182359221 474156384 /nfs/dbraw/zinc/15/63/84/474156384.db2.gz WBSIRIFHHFAFIU-GFCCVEGCSA-N 1 0 335.795 2.752 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175256021 474172368 /nfs/dbraw/zinc/17/23/68/474172368.db2.gz QNYWUHMPLOMNCA-OAHLLOKOSA-N 1 0 333.432 2.911 20 5 EFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289181155 474174110 /nfs/dbraw/zinc/17/41/10/474174110.db2.gz IHMBKJDTQBVOIN-KRWDZBQOSA-N 1 0 329.356 2.557 20 5 EFBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270579556 474176394 /nfs/dbraw/zinc/17/63/94/474176394.db2.gz QGOHJFVZAYLYOR-OAHLLOKOSA-N 1 0 327.384 2.554 20 5 EFBDRO CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275431896 474182946 /nfs/dbraw/zinc/18/29/46/474182946.db2.gz ISGFOKDNZFAGPA-UONOGXRCSA-N 1 0 325.409 2.750 20 5 EFBDRO C[C@@H](NCc1ncc(C2OCCO2)s1)c1cccc([N+](=O)[O-])c1 ZINC000289209810 474184254 /nfs/dbraw/zinc/18/42/54/474184254.db2.gz ILMDIXNLOOQLLH-SNVBAGLBSA-N 1 0 335.385 2.948 20 5 EFBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247703276 474202016 /nfs/dbraw/zinc/20/20/16/474202016.db2.gz YILLCPAKJSJRLD-QZTJIDSGSA-N 1 0 344.415 2.688 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289269967 474203964 /nfs/dbraw/zinc/20/39/64/474203964.db2.gz RFIFHJQEPPRTHE-ABAIWWIYSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270668737 474212851 /nfs/dbraw/zinc/21/28/51/474212851.db2.gz QRUSMSQFUJOMGH-LALPHHSUSA-N 1 0 345.403 2.588 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)cs2)c1 ZINC000188846976 474215285 /nfs/dbraw/zinc/21/52/85/474215285.db2.gz XAJNOTXOSKWBHV-IAQYHMDHSA-N 1 0 333.413 2.969 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175441685 474220729 /nfs/dbraw/zinc/22/07/29/474220729.db2.gz DGVJEQQJRWNEJN-WDEREUQCSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182626869 474221259 /nfs/dbraw/zinc/22/12/59/474221259.db2.gz HBVQOMJWJVZURQ-CQSZACIVSA-N 1 0 345.399 2.895 20 5 EFBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000275533190 474224282 /nfs/dbraw/zinc/22/42/82/474224282.db2.gz XKAVHPBRUTZRJC-INIZCTEOSA-N 1 0 345.399 2.885 20 5 EFBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188896986 474227258 /nfs/dbraw/zinc/22/72/58/474227258.db2.gz KQVPCHLDDCRYML-GFCCVEGCSA-N 1 0 331.372 2.811 20 5 EFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247952725 474231340 /nfs/dbraw/zinc/23/13/40/474231340.db2.gz FFUDIIGHNHBFCO-FKDHNMLASA-N 1 0 329.400 2.551 20 5 EFBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000289352269 474233161 /nfs/dbraw/zinc/23/31/61/474233161.db2.gz NDFMCODRHCVWTQ-CVEARBPZSA-N 1 0 349.431 2.767 20 5 EFBDRO Cc1c(Br)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000228016398 474247796 /nfs/dbraw/zinc/24/77/96/474247796.db2.gz UVBDHYDYMXNADP-WCBMZHEXSA-N 1 0 343.225 2.955 20 5 EFBDRO C[C@@H]1C[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000231630164 474263867 /nfs/dbraw/zinc/26/38/67/474263867.db2.gz WFDCYOAPTHQXAZ-RKDXNWHRSA-N 1 0 329.198 2.647 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182829748 474266659 /nfs/dbraw/zinc/26/66/59/474266659.db2.gz TZDOOWGPGFXGSR-HZPDHXFCSA-N 1 0 333.432 2.618 20 5 EFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000175658838 474275860 /nfs/dbraw/zinc/27/58/60/474275860.db2.gz GFGPHLAMQBRWIR-UHFFFAOYSA-N 1 0 339.442 2.922 20 5 EFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283027350 474276479 /nfs/dbraw/zinc/27/64/79/474276479.db2.gz HZZMYOHNRVYXQO-UHFFFAOYSA-N 1 0 340.399 2.510 20 5 EFBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000275676659 474276512 /nfs/dbraw/zinc/27/65/12/474276512.db2.gz VYLXBJLWRVWPQY-FWLFOBHPSA-N 1 0 342.399 2.851 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCCOCC3)o2)c1 ZINC000289451268 474277093 /nfs/dbraw/zinc/27/70/93/474277093.db2.gz NCZXDHRIIBUMGJ-UHFFFAOYSA-N 1 0 345.399 2.667 20 5 EFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000182883347 474277812 /nfs/dbraw/zinc/27/78/12/474277812.db2.gz XXTXNSSEOIYCSY-LBPRGKRZSA-N 1 0 344.371 2.678 20 5 EFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000182885355 474278239 /nfs/dbraw/zinc/27/82/39/474278239.db2.gz ZTPIXDLOCXCLFK-ZDUSSCGKSA-N 1 0 328.372 2.978 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000289490438 474294527 /nfs/dbraw/zinc/29/45/27/474294527.db2.gz JAIREVRYEKUKGT-BRWVUGGUSA-N 1 0 332.400 2.662 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000248375349 474300009 /nfs/dbraw/zinc/30/00/09/474300009.db2.gz WNMXBIKPPWZBJF-HOTGVXAUSA-N 1 0 334.416 2.989 20 5 EFBDRO COC(=O)[C@H](Cc1ccc(F)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000275744806 474302656 /nfs/dbraw/zinc/30/26/56/474302656.db2.gz RNWIMYWQRWLPNB-KRWDZBQOSA-N 1 0 346.358 2.650 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000289518231 474306390 /nfs/dbraw/zinc/30/63/90/474306390.db2.gz VMDINDMXOJGXHQ-ZDUSSCGKSA-N 1 0 333.388 2.664 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000248401464 474308547 /nfs/dbraw/zinc/30/85/47/474308547.db2.gz ZNMLKKHUPKUREL-WMZOPIPTSA-N 1 0 347.459 2.962 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000248401463 474308682 /nfs/dbraw/zinc/30/86/82/474308682.db2.gz ZNMLKKHUPKUREL-AEFFLSMTSA-N 1 0 347.459 2.962 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000289533855 474310830 /nfs/dbraw/zinc/31/08/30/474310830.db2.gz WHTNQMZGUXJHSH-WMZOPIPTSA-N 1 0 347.459 2.618 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283130708 474313707 /nfs/dbraw/zinc/31/37/07/474313707.db2.gz NKTYTLWZBUKEBL-UHFFFAOYSA-N 1 0 342.237 2.883 20 5 EFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248415533 474314959 /nfs/dbraw/zinc/31/49/59/474314959.db2.gz IAGZZJRBPAIRRZ-HUHSQHJXSA-N 1 0 334.416 2.845 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000283148360 474319021 /nfs/dbraw/zinc/31/90/21/474319021.db2.gz BSMCQXCLWVKUIL-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265750336 474322348 /nfs/dbraw/zinc/32/23/48/474322348.db2.gz HJVYPSDKOWYLKL-CYBMUJFWSA-N 1 0 336.413 2.810 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000175844537 474324127 /nfs/dbraw/zinc/32/41/27/474324127.db2.gz VZIPZPCNQFCOTN-ZIAGYGMSSA-N 1 0 346.431 2.748 20 5 EFBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000289564977 474326086 /nfs/dbraw/zinc/32/60/86/474326086.db2.gz GIQXYIDKEILDAT-UHFFFAOYSA-N 1 0 326.784 2.854 20 5 EFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)CN1CCOCC1 ZINC000283176100 474327387 /nfs/dbraw/zinc/32/73/87/474327387.db2.gz PVRBXGFABPARGI-UHFFFAOYSA-N 1 0 339.411 2.524 20 5 EFBDRO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457584 474329698 /nfs/dbraw/zinc/32/96/98/474329698.db2.gz MLYFAARCKVCOKM-WMLDXEAASA-N 1 0 342.395 2.781 20 5 EFBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457583 474330354 /nfs/dbraw/zinc/33/03/54/474330354.db2.gz MLYFAARCKVCOKM-RHSMWYFYSA-N 1 0 342.395 2.781 20 5 EFBDRO COC[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265773491 474331324 /nfs/dbraw/zinc/33/13/24/474331324.db2.gz JCBHCDIZEJWNFH-NEPJUHHUSA-N 1 0 332.360 2.674 20 5 EFBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283186888 474331653 /nfs/dbraw/zinc/33/16/53/474331653.db2.gz FKLVVJPRPZGWOI-CQSZACIVSA-N 1 0 335.404 2.670 20 5 EFBDRO CS[C@@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469527 474335660 /nfs/dbraw/zinc/33/56/60/474335660.db2.gz URRMXYFKQQLPKR-ZIAGYGMSSA-N 1 0 340.445 2.552 20 5 EFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476403 474336756 /nfs/dbraw/zinc/33/67/56/474336756.db2.gz YEJNDFXOKILDQZ-QXSJWSMHSA-N 1 0 334.416 2.988 20 5 EFBDRO CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265794241 474340759 /nfs/dbraw/zinc/34/07/59/474340759.db2.gz MGWOMXXZZSGFIE-UHFFFAOYSA-N 1 0 331.416 2.615 20 5 EFBDRO CCc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000270965059 474342516 /nfs/dbraw/zinc/34/25/16/474342516.db2.gz SEZHIQBYHXTSJX-ZDUSSCGKSA-N 1 0 333.432 2.960 20 5 EFBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1C ZINC000189270428 474343641 /nfs/dbraw/zinc/34/36/41/474343641.db2.gz OMOOZWFPDMYFOQ-CQSZACIVSA-N 1 0 349.431 2.620 20 5 EFBDRO C[N@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000265808516 474344866 /nfs/dbraw/zinc/34/48/66/474344866.db2.gz OYZDBMUYJNLJEZ-UHFFFAOYSA-N 1 0 333.432 2.863 20 5 EFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000270975733 474348194 /nfs/dbraw/zinc/34/81/94/474348194.db2.gz FCMKVROBOGOGCR-UHFFFAOYSA-N 1 0 328.372 2.841 20 5 EFBDRO CC(C)OCCCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000265827712 474352723 /nfs/dbraw/zinc/35/27/23/474352723.db2.gz YKBYLBQQQBBQME-UHFFFAOYSA-N 1 0 346.387 2.668 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000283274792 474357508 /nfs/dbraw/zinc/35/75/08/474357508.db2.gz VWARUHXGQDVHGG-AWEZNQCLSA-N 1 0 349.431 2.988 20 5 EFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189315489 474358600 /nfs/dbraw/zinc/35/86/00/474358600.db2.gz NCBXYHDMFMHFKC-UHFFFAOYSA-N 1 0 339.395 2.857 20 5 EFBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283284002 474359363 /nfs/dbraw/zinc/35/93/63/474359363.db2.gz MHTYGFBDJRBUDF-GFCCVEGCSA-N 1 0 325.434 2.997 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248567263 474361278 /nfs/dbraw/zinc/36/12/78/474361278.db2.gz LDVAODMGIOLPIT-NFAWXSAZSA-N 1 0 349.406 2.923 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183269717 474364241 /nfs/dbraw/zinc/36/42/41/474364241.db2.gz WOCWOTCORRDACP-HWKANZROSA-N 1 0 332.400 2.737 20 5 EFBDRO CC(C)(C)C[N@H+](CCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283315259 474369403 /nfs/dbraw/zinc/36/94/03/474369403.db2.gz OJRYPQYFCHQHNM-UHFFFAOYSA-N 1 0 337.420 2.654 20 5 EFBDRO CCOC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356750 474370359 /nfs/dbraw/zinc/37/03/59/474370359.db2.gz XBQQRNXADSSBOI-CJNGLKHVSA-N 1 0 337.420 2.963 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCSC1 ZINC000271025720 474373315 /nfs/dbraw/zinc/37/33/15/474373315.db2.gz BATRNUCFMMOSCJ-WFASDCNBSA-N 1 0 342.486 2.923 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000289676275 474374904 /nfs/dbraw/zinc/37/49/04/474374904.db2.gz FRTWXQAJYOAHIR-GFCCVEGCSA-N 1 0 332.404 2.929 20 5 EFBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000237299600 474377602 /nfs/dbraw/zinc/37/76/02/474377602.db2.gz FZXUAAMRPTVWHA-CHWSQXEVSA-N 1 0 337.445 2.533 20 5 EFBDRO C[NH2+]CC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237335312 474383764 /nfs/dbraw/zinc/38/37/64/474383764.db2.gz WSGWTXTVBCHUPU-GFCCVEGCSA-N 1 0 337.445 2.533 20 5 EFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000265916623 474384109 /nfs/dbraw/zinc/38/41/09/474384109.db2.gz ZDVNCUVGLHDLIU-YPMHNXCESA-N 1 0 346.836 2.694 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289705088 474385454 /nfs/dbraw/zinc/38/54/54/474385454.db2.gz HJTXKGUSDPAPRL-GOEBONIOSA-N 1 0 332.404 2.906 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289705092 474385492 /nfs/dbraw/zinc/38/54/92/474385492.db2.gz HJTXKGUSDPAPRL-HOCLYGCPSA-N 1 0 332.404 2.906 20 5 EFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000176126980 474390734 /nfs/dbraw/zinc/39/07/34/474390734.db2.gz PNILHWGXUBTCTA-HIFRSBDPSA-N 1 0 343.383 2.971 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265941295 474395877 /nfs/dbraw/zinc/39/58/77/474395877.db2.gz HSUXNBNJJPUEOP-SMDDNHRTSA-N 1 0 331.372 2.753 20 5 EFBDRO CC(C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000183626763 474403280 /nfs/dbraw/zinc/40/32/80/474403280.db2.gz RMRSEDWLOHIMHY-HNNXBMFYSA-N 1 0 349.435 2.868 20 5 EFBDRO Cc1ccc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000176210935 474410445 /nfs/dbraw/zinc/41/04/45/474410445.db2.gz OKPIXVOVGFITRD-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO Cc1ccc(C)c(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176217038 474412475 /nfs/dbraw/zinc/41/24/75/474412475.db2.gz IEMOZYTUGJYIIJ-UHFFFAOYSA-N 1 0 344.415 2.952 20 5 EFBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189489906 474417530 /nfs/dbraw/zinc/41/75/30/474417530.db2.gz UHDNMWHOOTXDLT-HIFRSBDPSA-N 1 0 337.445 2.848 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237504734 474417730 /nfs/dbraw/zinc/41/77/30/474417730.db2.gz REZBNCIVEWLEAQ-XJKSGUPXSA-N 1 0 327.384 2.650 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000266114384 474418846 /nfs/dbraw/zinc/41/88/46/474418846.db2.gz UYGAENVALGQCIV-OAHLLOKOSA-N 1 0 333.413 2.618 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000276103916 474419248 /nfs/dbraw/zinc/41/92/48/474419248.db2.gz ZHLNQGUGZPFJMN-UHFFFAOYSA-N 1 0 345.321 2.828 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000283497709 474419826 /nfs/dbraw/zinc/41/98/26/474419826.db2.gz OOPMORANNASWAO-UHFFFAOYSA-N 1 0 349.431 2.845 20 5 EFBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Cn1ccnc1 ZINC000237535240 474424762 /nfs/dbraw/zinc/42/47/62/474424762.db2.gz OZGMDJYKBMXCPO-LLVKDONJSA-N 1 0 340.330 2.819 20 5 EFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176316774 474438547 /nfs/dbraw/zinc/43/85/47/474438547.db2.gz JMDAEEVBHMSQBN-ZFWWWQNUSA-N 1 0 334.420 2.748 20 5 EFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000237611405 474439807 /nfs/dbraw/zinc/43/98/07/474439807.db2.gz SBAZXBUPAUTNPC-CXAGYDPISA-N 1 0 327.384 2.590 20 5 EFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237629031 474443670 /nfs/dbraw/zinc/44/36/70/474443670.db2.gz VXVHJYHWVXYLMC-CMPLNLGQSA-N 1 0 346.412 2.670 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000283604113 474446300 /nfs/dbraw/zinc/44/63/00/474446300.db2.gz YSUZRIGHSKEHPP-CYBMUJFWSA-N 1 0 335.404 2.598 20 5 EFBDRO C[C@@](C[NH3+])(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000237646619 474448049 /nfs/dbraw/zinc/44/80/49/474448049.db2.gz VBGIQCMIDJHBOV-INIZCTEOSA-N 1 0 346.412 2.576 20 5 EFBDRO COc1cccc(CN(CC[NH+](C)C)c2ncccc2[N+](=O)[O-])c1 ZINC000189630201 474453019 /nfs/dbraw/zinc/45/30/19/474453019.db2.gz VTXLQBBJZLJLJF-UHFFFAOYSA-N 1 0 330.388 2.567 20 5 EFBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1[C@@H]1CCCO1 ZINC000289877200 474465814 /nfs/dbraw/zinc/46/58/14/474465814.db2.gz RQFOOIPKOJDAIF-DOTOQJQBSA-N 1 0 348.399 2.851 20 5 EFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000271274020 474469093 /nfs/dbraw/zinc/46/90/93/474469093.db2.gz BDNXDGFQJBLWEX-KRWDZBQOSA-N 1 0 330.388 2.679 20 5 EFBDRO Cc1cnn([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289910533 474481967 /nfs/dbraw/zinc/48/19/67/474481967.db2.gz NXYMNEWUUFRIJU-MRXNPFEDSA-N 1 0 330.388 2.816 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)nc2c1 ZINC000289908807 474482196 /nfs/dbraw/zinc/48/21/96/474482196.db2.gz XUUOEEYLUXFZKE-QPUJVOFHSA-N 1 0 344.293 2.671 20 5 EFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271304392 474483998 /nfs/dbraw/zinc/48/39/98/474483998.db2.gz HHJDWUJCXFIJON-ZYHUDNBSSA-N 1 0 329.347 2.973 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1[NH+](C)C ZINC000271308062 474487145 /nfs/dbraw/zinc/48/71/45/474487145.db2.gz IAVFRLBCPZUFOA-DGCLKSJQSA-N 1 0 347.387 2.678 20 5 EFBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237877268 474491734 /nfs/dbraw/zinc/49/17/34/474491734.db2.gz MTOYDFBFIQRDRZ-HNNXBMFYSA-N 1 0 339.823 2.815 20 5 EFBDRO [NH3+][C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000237878998 474492277 /nfs/dbraw/zinc/49/22/77/474492277.db2.gz GKILFNBQTOLTCM-KRWDZBQOSA-N 1 0 325.368 2.570 20 5 EFBDRO CCOc1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000289948229 474498660 /nfs/dbraw/zinc/49/86/60/474498660.db2.gz PZBKFENHPPAKNO-HNNXBMFYSA-N 1 0 330.388 2.945 20 5 EFBDRO Cc1nnc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000271341609 474499156 /nfs/dbraw/zinc/49/91/56/474499156.db2.gz OLGRDYSRTOUTBY-NFBGWVBBSA-N 1 0 327.388 2.914 20 5 EFBDRO CC[NH+](CC)CCSCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000266847372 474502867 /nfs/dbraw/zinc/50/28/67/474502867.db2.gz QVIMDPRGXHZRNO-UHFFFAOYSA-N 1 0 339.461 2.628 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000276383644 474520005 /nfs/dbraw/zinc/52/00/05/474520005.db2.gz GXJOEEGBJVGYEF-XJKSGUPXSA-N 1 0 332.404 2.770 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000176728721 474521913 /nfs/dbraw/zinc/52/19/13/474521913.db2.gz DPZYFZMEFFCHAH-KGLIPLIRSA-N 1 0 344.415 2.543 20 5 EFBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000238023587 474523186 /nfs/dbraw/zinc/52/31/86/474523186.db2.gz NLFATLITAOYPFJ-INIZCTEOSA-N 1 0 341.367 2.854 20 5 EFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283906867 474523756 /nfs/dbraw/zinc/52/37/56/474523756.db2.gz AASIPVQYVPJCGM-UHFFFAOYSA-N 1 0 325.368 2.546 20 5 EFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189978217 474525441 /nfs/dbraw/zinc/52/54/41/474525441.db2.gz VFKKEWJXRNSIBO-CXAGYDPISA-N 1 0 344.415 2.636 20 5 EFBDRO C[NH+](C)C1CCN(CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000176815979 474535590 /nfs/dbraw/zinc/53/55/90/474535590.db2.gz PJBGIXOVFAPCHF-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000266937344 474538054 /nfs/dbraw/zinc/53/80/54/474538054.db2.gz BGHLSYAASDUXIC-INIZCTEOSA-N 1 0 330.384 2.951 20 5 EFBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184547178 474543776 /nfs/dbraw/zinc/54/37/76/474543776.db2.gz VLOXXJARESBMAI-ZDUSSCGKSA-N 1 0 336.344 2.553 20 5 EFBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000266955019 474545771 /nfs/dbraw/zinc/54/57/71/474545771.db2.gz SMEQAXURRBGRMS-MRXNPFEDSA-N 1 0 331.416 2.858 20 5 EFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+](C)Cc1ccccc1 ZINC000266978864 474553758 /nfs/dbraw/zinc/55/37/58/474553758.db2.gz YQWVAUAUVUZSPX-ZDUSSCGKSA-N 1 0 330.388 2.563 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000276476930 474558737 /nfs/dbraw/zinc/55/87/37/474558737.db2.gz QCVLXOWAVXJYHL-UHFFFAOYSA-N 1 0 335.404 2.551 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000271476120 474563577 /nfs/dbraw/zinc/56/35/77/474563577.db2.gz IBRZFNMWMJTFLD-QANKJYHBSA-N 1 0 330.384 2.730 20 5 EFBDRO Cc1cc(F)c(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000284086658 474568196 /nfs/dbraw/zinc/56/81/96/474568196.db2.gz RRTIIQVKZOYOAY-UHFFFAOYSA-N 1 0 336.367 2.602 20 5 EFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000245391168 474577317 /nfs/dbraw/zinc/57/73/17/474577317.db2.gz OXXKJGBQDGKRTN-ZNMIVQPWSA-N 1 0 348.447 2.760 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000245389957 474577567 /nfs/dbraw/zinc/57/75/67/474577567.db2.gz KCMDUTJXTQGNBZ-CABCVRRESA-N 1 0 348.447 2.557 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184677660 474582033 /nfs/dbraw/zinc/58/20/33/474582033.db2.gz BOCCGBRHJMWBGJ-INIZCTEOSA-N 1 0 333.432 2.716 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133333 480115304 /nfs/dbraw/zinc/11/53/04/480115304.db2.gz MVLHZMCUXFUHSW-UHFFFAOYSA-N 1 0 328.368 2.780 20 5 EFBDRO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000249526187 474586029 /nfs/dbraw/zinc/58/60/29/474586029.db2.gz UFVLEKFZAGSIAF-LSDHHAIUSA-N 1 0 348.447 2.857 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000184703299 474589422 /nfs/dbraw/zinc/58/94/22/474589422.db2.gz AUQQRPYMKSSMQY-CVEARBPZSA-N 1 0 345.443 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000184703280 474589916 /nfs/dbraw/zinc/58/99/16/474589916.db2.gz AUQQRPYMKSSMQY-JKSUJKDBSA-N 1 0 345.443 2.764 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184758324 474601959 /nfs/dbraw/zinc/60/19/59/474601959.db2.gz HDUCUXNNICAFKJ-QGZVFWFLSA-N 1 0 347.459 2.964 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1F ZINC000284241953 474601899 /nfs/dbraw/zinc/60/18/99/474601899.db2.gz PENPFTCMYVLEFR-GFCCVEGCSA-N 1 0 337.395 2.845 20 5 EFBDRO COc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249742700 474610417 /nfs/dbraw/zinc/61/04/17/474610417.db2.gz KOEKRQIRMMHZEJ-MJBXVCDLSA-N 1 0 349.431 2.700 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000267189704 474613310 /nfs/dbraw/zinc/61/33/10/474613310.db2.gz HCFGOLOOOUCEKC-ZFWWWQNUSA-N 1 0 329.404 2.651 20 5 EFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291555869 474618150 /nfs/dbraw/zinc/61/81/50/474618150.db2.gz XGIRYZBOJVDXBB-MRVPVSSYSA-N 1 0 332.187 2.583 20 5 EFBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267227488 474623185 /nfs/dbraw/zinc/62/31/85/474623185.db2.gz KJSFSKJYNVHNBH-UHFFFAOYSA-N 1 0 343.225 2.719 20 5 EFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000250032120 474626953 /nfs/dbraw/zinc/62/69/53/474626953.db2.gz DZBCVDRMUOIHDV-ZIAGYGMSSA-N 1 0 334.420 2.514 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1F ZINC000284365367 474628262 /nfs/dbraw/zinc/62/82/62/474628262.db2.gz ZMAVYCBHSGJRSE-IUODEOHRSA-N 1 0 335.379 2.599 20 5 EFBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000267249355 474628684 /nfs/dbraw/zinc/62/86/84/474628684.db2.gz KWSDQGFXXYKLQQ-UHFFFAOYSA-N 1 0 342.399 2.842 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272885035 474633173 /nfs/dbraw/zinc/63/31/73/474633173.db2.gz YMCQDPKVXMBLKQ-KGLIPLIRSA-N 1 0 346.431 2.914 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272949553 474648435 /nfs/dbraw/zinc/64/84/35/474648435.db2.gz MQGAMUDOHIOUDG-CQSZACIVSA-N 1 0 331.416 2.900 20 5 EFBDRO CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000272952580 474649516 /nfs/dbraw/zinc/64/95/16/474649516.db2.gz DUZVVYLURGVFHM-UHFFFAOYSA-N 1 0 345.321 2.733 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000291711598 474655997 /nfs/dbraw/zinc/65/59/97/474655997.db2.gz GKQBANXONXKZLC-OAHLLOKOSA-N 1 0 338.795 2.808 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273005051 474666755 /nfs/dbraw/zinc/66/67/55/474666755.db2.gz ASQMDDIRNTVUTR-ROUUACIJSA-N 1 0 347.415 2.779 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267477628 474671503 /nfs/dbraw/zinc/67/15/03/474671503.db2.gz ZTIAXMWVZPMVHQ-AWEZNQCLSA-N 1 0 330.388 2.966 20 5 EFBDRO COc1cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000273034625 474682788 /nfs/dbraw/zinc/68/27/88/474682788.db2.gz GXIYWWULUWGZNL-CHWSQXEVSA-N 1 0 338.404 2.907 20 5 EFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000278535002 474687488 /nfs/dbraw/zinc/68/74/88/474687488.db2.gz NEKNFNBPLCLFRM-UHFFFAOYSA-N 1 0 343.383 2.945 20 5 EFBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO[C@@H]1C1CC1 ZINC000273052904 474692353 /nfs/dbraw/zinc/69/23/53/474692353.db2.gz KTVGKAWZWZGSHQ-IAGOWNOFSA-N 1 0 334.372 2.509 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305115036 474694841 /nfs/dbraw/zinc/69/48/41/474694841.db2.gz HOIMEOAHAOFTAR-BLLLJJGKSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305115037 474695143 /nfs/dbraw/zinc/69/51/43/474695143.db2.gz HOIMEOAHAOFTAR-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1=CC[N@H+](C)CC1 ZINC000273058852 474695658 /nfs/dbraw/zinc/69/56/58/474695658.db2.gz YFCVXAGADJSUDV-NSHDSACASA-N 1 0 329.356 2.721 20 5 EFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc1 ZINC000273070895 474701539 /nfs/dbraw/zinc/70/15/39/474701539.db2.gz FNLIZJKSVZHOSS-QGZVFWFLSA-N 1 0 342.399 2.559 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291821069 474704460 /nfs/dbraw/zinc/70/44/60/474704460.db2.gz NXIOGMJTGFZEIH-IBGZPJMESA-N 1 0 342.395 2.739 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@](CO)(C(C)C)C1 ZINC000292902055 474704814 /nfs/dbraw/zinc/70/48/14/474704814.db2.gz ALOXSQILECWFAT-GOSISDBHSA-N 1 0 349.431 2.572 20 5 EFBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000340847918 474712668 /nfs/dbraw/zinc/71/26/68/474712668.db2.gz HWKPBJIOFDFAIX-HYSWKAIVSA-N 1 0 335.404 2.715 20 5 EFBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000340854698 474718837 /nfs/dbraw/zinc/71/88/37/474718837.db2.gz WHAXNXMMJCGWDO-JDSLSITLSA-N 1 0 335.404 2.715 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000278590860 474724181 /nfs/dbraw/zinc/72/41/81/474724181.db2.gz YWZWBKNTXQOOFL-CQSZACIVSA-N 1 0 349.431 2.509 20 5 EFBDRO CCOC1CC(O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000278594626 474724988 /nfs/dbraw/zinc/72/49/88/474724988.db2.gz AHPRQNUJDWIZJJ-MNQCNDSGSA-N 1 0 334.416 2.837 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000305277298 474725703 /nfs/dbraw/zinc/72/57/03/474725703.db2.gz BHQZYSFDBRXRAL-INIZCTEOSA-N 1 0 330.384 2.775 20 5 EFBDRO CN(C)c1nc2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000338928035 474741004 /nfs/dbraw/zinc/74/10/04/474741004.db2.gz SMQDZLOYFMQPCT-UHFFFAOYSA-N 1 0 343.318 2.929 20 5 EFBDRO Cc1ccc(NCCCNC(=O)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000273155108 474746430 /nfs/dbraw/zinc/74/64/30/474746430.db2.gz ALNSMLYJHQBWGZ-UHFFFAOYSA-N 1 0 348.447 2.553 20 5 EFBDRO CCc1oc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000338933960 474748400 /nfs/dbraw/zinc/74/84/00/474748400.db2.gz BFRMOVYPKYNPDK-UHFFFAOYSA-N 1 0 332.356 2.869 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291919617 474752251 /nfs/dbraw/zinc/75/22/51/474752251.db2.gz LQFJBHZWNYGJDO-SECBINFHSA-N 1 0 332.187 2.726 20 5 EFBDRO C[NH+](C)Cc1ccsc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268017238 474754723 /nfs/dbraw/zinc/75/47/23/474754723.db2.gz IDUZVVMXDGILNP-UHFFFAOYSA-N 1 0 348.428 2.560 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000344502228 474756415 /nfs/dbraw/zinc/75/64/15/474756415.db2.gz PNTZAAZJHWOEIX-GFCCVEGCSA-N 1 0 338.408 2.845 20 5 EFBDRO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000293002966 474759459 /nfs/dbraw/zinc/75/94/59/474759459.db2.gz PBGFSSRVGXXNFC-KRWDZBQOSA-N 1 0 337.395 2.660 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1 ZINC000293006019 474761285 /nfs/dbraw/zinc/76/12/85/474761285.db2.gz PHMHZUOGZTYAIB-UHFFFAOYSA-N 1 0 327.384 2.721 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000305742901 474762808 /nfs/dbraw/zinc/76/28/08/474762808.db2.gz SUWGTAXRWOJKJU-BLLLJJGKSA-N 1 0 331.372 2.843 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000284777949 474767859 /nfs/dbraw/zinc/76/78/59/474767859.db2.gz NCWKCORSSCTFAA-HUUCEWRRSA-N 1 0 344.371 2.788 20 5 EFBDRO CC[C@@]1(C)COCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340914750 474773134 /nfs/dbraw/zinc/77/31/34/474773134.db2.gz URFNOTFKTOKXOU-INIZCTEOSA-N 1 0 332.360 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000268065894 474778687 /nfs/dbraw/zinc/77/86/87/474778687.db2.gz ARGPJTWTACAUSF-UHFFFAOYSA-N 1 0 341.415 2.662 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000268089592 474790601 /nfs/dbraw/zinc/79/06/01/474790601.db2.gz ZWWCVYURXJQSSU-AWEZNQCLSA-N 1 0 346.431 2.844 20 5 EFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000337217797 474792095 /nfs/dbraw/zinc/79/20/95/474792095.db2.gz AMIRVDXDXBNLFU-AWEZNQCLSA-N 1 0 337.420 2.541 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268096321 474795549 /nfs/dbraw/zinc/79/55/49/474795549.db2.gz CQKUPOYSXXTXBE-WWGRRREGSA-N 1 0 346.431 2.746 20 5 EFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000617196424 480126475 /nfs/dbraw/zinc/12/64/75/480126475.db2.gz DSAXFORQYPUXNN-CQSZACIVSA-N 1 0 336.388 2.911 20 5 EFBDRO C[C@@H](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273247813 474801639 /nfs/dbraw/zinc/80/16/39/474801639.db2.gz NXIFSJWKTTXXTM-HNNXBMFYSA-N 1 0 348.447 2.701 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000273253625 474804188 /nfs/dbraw/zinc/80/41/88/474804188.db2.gz YPXXNPYLUKMFQS-UKRRQHHQSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000273253621 474804785 /nfs/dbraw/zinc/80/47/85/474804785.db2.gz YPXXNPYLUKMFQS-HIFRSBDPSA-N 1 0 346.383 2.694 20 5 EFBDRO C[N@H+](CCCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000338986988 474807606 /nfs/dbraw/zinc/80/76/06/474807606.db2.gz XJMMFSMHNSWWEX-UHFFFAOYSA-N 1 0 349.431 2.744 20 5 EFBDRO Cn1cnnc1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255123848 474809043 /nfs/dbraw/zinc/80/90/43/474809043.db2.gz KUCYKZBQZZPNEW-XQRVVYSFSA-N 1 0 327.388 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000273263696 474812271 /nfs/dbraw/zinc/81/22/71/474812271.db2.gz ZNZHNOYTKRCVAI-UHFFFAOYSA-N 1 0 346.408 2.647 20 5 EFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000337241463 474816562 /nfs/dbraw/zinc/81/65/62/474816562.db2.gz FPEUSWHXGGRFMI-UHFFFAOYSA-N 1 0 335.385 2.849 20 5 EFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C1 ZINC000268138437 474819352 /nfs/dbraw/zinc/81/93/52/474819352.db2.gz PEUAMFHRQDRZPY-FZMZJTMJSA-N 1 0 330.388 2.535 20 5 EFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000268138440 474821809 /nfs/dbraw/zinc/82/18/09/474821809.db2.gz PEUAMFHRQDRZPY-RISCZKNCSA-N 1 0 330.388 2.535 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000609223321 480128098 /nfs/dbraw/zinc/12/80/98/480128098.db2.gz GJVOTEAVLDAKEG-UHFFFAOYSA-N 1 0 341.346 2.647 20 5 EFBDRO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268149361 474826179 /nfs/dbraw/zinc/82/61/79/474826179.db2.gz FYGSWRZATSTREU-GXFFZTMASA-N 1 0 335.429 2.529 20 5 EFBDRO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268149366 474826414 /nfs/dbraw/zinc/82/64/14/474826414.db2.gz FYGSWRZATSTREU-MFKMUULPSA-N 1 0 335.429 2.529 20 5 EFBDRO Nc1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000310778886 474829381 /nfs/dbraw/zinc/82/93/81/474829381.db2.gz BDDRMULYWNPYGM-HNNXBMFYSA-N 1 0 341.415 2.896 20 5 EFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292073304 474834437 /nfs/dbraw/zinc/83/44/37/474834437.db2.gz CQHGXXCHENHDEB-CYBMUJFWSA-N 1 0 348.403 2.809 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)CC2 ZINC000339015146 474836047 /nfs/dbraw/zinc/83/60/47/474836047.db2.gz SYLDLPGTEQDUIL-SFHVURJKSA-N 1 0 330.359 2.696 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000278818227 474851591 /nfs/dbraw/zinc/85/15/91/474851591.db2.gz UKMVFJUOTZLSDQ-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293174960 474854742 /nfs/dbraw/zinc/85/47/42/474854742.db2.gz WKDHZHBZHVYVFI-BMIGLBTASA-N 1 0 330.331 2.837 20 5 EFBDRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000345060529 474857330 /nfs/dbraw/zinc/85/73/30/474857330.db2.gz GWRGQIPFDDWAEG-ZWKOTPCHSA-N 1 0 339.395 2.731 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000278832691 474860575 /nfs/dbraw/zinc/86/05/75/474860575.db2.gz VDLKBXVSRPBSGR-NSHDSACASA-N 1 0 341.358 2.563 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293207060 474868841 /nfs/dbraw/zinc/86/88/41/474868841.db2.gz RBYCAWRUTIAYOO-FZMZJTMJSA-N 1 0 332.360 2.553 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292146353 474872858 /nfs/dbraw/zinc/87/28/58/474872858.db2.gz JRJNCJFZWKHJCV-DYVFJYSZSA-N 1 0 349.456 2.630 20 5 EFBDRO [NH3+]CCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000317316706 474886017 /nfs/dbraw/zinc/88/60/17/474886017.db2.gz YYOIOXKIBXQROF-UHFFFAOYSA-N 1 0 327.812 2.578 20 5 EFBDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285084818 474886853 /nfs/dbraw/zinc/88/68/53/474886853.db2.gz PWEXSVOBJFVDGO-QGZVFWFLSA-N 1 0 345.447 2.538 20 5 EFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422142 474890837 /nfs/dbraw/zinc/89/08/37/474890837.db2.gz JWJMSZHAFVXUQY-RDJZCZTQSA-N 1 0 348.378 2.783 20 5 EFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000341029763 474896086 /nfs/dbraw/zinc/89/60/86/474896086.db2.gz DJZGXWNKDVXQRR-UHFFFAOYSA-N 1 0 338.427 2.588 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000292206765 474904087 /nfs/dbraw/zinc/90/40/87/474904087.db2.gz HCQDZZDEQYBEQU-AWEZNQCLSA-N 1 0 340.221 2.889 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000285142074 474904289 /nfs/dbraw/zinc/90/42/89/474904289.db2.gz OSNVQJFRAFZTJX-GDBMZVCRSA-N 1 0 346.431 2.926 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC[C@H](C2CCC2)C1 ZINC000292212198 474906606 /nfs/dbraw/zinc/90/66/06/474906606.db2.gz UDZVVZYIZOCOQS-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO CCc1nocc1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293281620 474907248 /nfs/dbraw/zinc/90/72/48/474907248.db2.gz CPVZUFHYGQZZJQ-NSHDSACASA-N 1 0 332.360 2.604 20 5 EFBDRO CC(C)C(=O)N1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255848828 474907622 /nfs/dbraw/zinc/90/76/22/474907622.db2.gz VTUGCTSJKJLBNM-YVMONPNESA-N 1 0 331.416 2.798 20 5 EFBDRO CC(C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000320250446 474909345 /nfs/dbraw/zinc/90/93/45/474909345.db2.gz IBZJQAIVVTUPPF-HNNXBMFYSA-N 1 0 340.855 2.932 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292227451 474913033 /nfs/dbraw/zinc/91/30/33/474913033.db2.gz NFDMGJGQTUAUGL-RCFWFJCLSA-N 1 0 349.818 2.816 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000320571825 474913448 /nfs/dbraw/zinc/91/34/48/474913448.db2.gz MIHVOFLTXJJKTP-CYBMUJFWSA-N 1 0 337.807 2.949 20 5 EFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273475199 474918373 /nfs/dbraw/zinc/91/83/73/474918373.db2.gz HQVXVVMCWWBZGH-JKSUJKDBSA-N 1 0 349.456 2.555 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292267935 474933279 /nfs/dbraw/zinc/93/32/79/474933279.db2.gz LKGAFYCTCDBMQD-CQSZACIVSA-N 1 0 340.221 2.889 20 5 EFBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(CO)CC1 ZINC000268344609 474933822 /nfs/dbraw/zinc/93/38/22/474933822.db2.gz PNNGTMHIMZSNST-UHFFFAOYSA-N 1 0 346.387 2.628 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268348707 474935170 /nfs/dbraw/zinc/93/51/70/474935170.db2.gz CRTMXCXJPAGUNL-ZBFHGGJFSA-N 1 0 348.403 2.753 20 5 EFBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000292294297 474947370 /nfs/dbraw/zinc/94/73/70/474947370.db2.gz ULQMGJRWLNRFCB-RHSMWYFYSA-N 1 0 332.404 2.624 20 5 EFBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000273532443 474949486 /nfs/dbraw/zinc/94/94/86/474949486.db2.gz VIGIJOSOYQYBDT-UHFFFAOYSA-N 1 0 348.424 2.775 20 5 EFBDRO CNc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000324635498 474973098 /nfs/dbraw/zinc/97/30/98/474973098.db2.gz VMKPMFHRXQWBSQ-CYBMUJFWSA-N 1 0 334.420 2.631 20 5 EFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+](C)C ZINC000292351220 474977196 /nfs/dbraw/zinc/97/71/96/474977196.db2.gz KYJAFVTZXLOHHY-SECBINFHSA-N 1 0 333.310 2.541 20 5 EFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000285339882 474978408 /nfs/dbraw/zinc/97/84/08/474978408.db2.gz URQACIXDKGRASJ-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273590467 474978756 /nfs/dbraw/zinc/97/87/56/474978756.db2.gz HFOIUFPBBMVILM-GDBMZVCRSA-N 1 0 341.415 2.874 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285345486 474979863 /nfs/dbraw/zinc/97/98/63/474979863.db2.gz PEFJYTZXBCYCRF-KRWDZBQOSA-N 1 0 345.355 2.711 20 5 EFBDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341109523 474983560 /nfs/dbraw/zinc/98/35/60/474983560.db2.gz JIOOUBMVQCOEFW-KBPBESRZSA-N 1 0 346.431 2.972 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000325837853 474994244 /nfs/dbraw/zinc/99/42/44/474994244.db2.gz QYFCKMWKONAHRT-VXGBXAGGSA-N 1 0 345.321 2.889 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000292380776 474994343 /nfs/dbraw/zinc/99/43/43/474994343.db2.gz JRSDIJQUJBGNQG-KCTSRDHCSA-N 1 0 348.424 2.982 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000325837846 474994987 /nfs/dbraw/zinc/99/49/87/474994987.db2.gz QYFCKMWKONAHRT-NEPJUHHUSA-N 1 0 345.321 2.889 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000325837851 474995571 /nfs/dbraw/zinc/99/55/71/474995571.db2.gz QYFCKMWKONAHRT-RYUDHWBXSA-N 1 0 345.321 2.889 20 5 EFBDRO CCC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000325810943 474995933 /nfs/dbraw/zinc/99/59/33/474995933.db2.gz KDIYOUJVTFONGM-KSZLIROESA-N 1 0 333.432 2.889 20 5 EFBDRO C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000326040699 474998568 /nfs/dbraw/zinc/99/85/68/474998568.db2.gz WUVAGIIXVNSLHP-LBPRGKRZSA-N 1 0 325.368 2.732 20 5 EFBDRO CCOc1cc(-c2nc(C3([NH3+])CCCC3)no2)c([N+](=O)[O-])cc1OC ZINC000261617729 474998636 /nfs/dbraw/zinc/99/86/36/474998636.db2.gz BNAKFORCMHDOGA-UHFFFAOYSA-N 1 0 348.359 2.780 20 5 EFBDRO Cc1c(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000261626398 475001597 /nfs/dbraw/zinc/00/15/97/475001597.db2.gz GUHVAVIFGKVRRL-SUMWQHHRSA-N 1 0 327.384 2.856 20 5 EFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000326581530 475006349 /nfs/dbraw/zinc/00/63/49/475006349.db2.gz BCBDBZFNJVYDDG-SFHVURJKSA-N 1 0 344.411 2.784 20 5 EFBDRO CCOc1cc(N2CC[NH+]([C@H](C)CCOC)CC2)ccc1[N+](=O)[O-] ZINC000280137574 475011340 /nfs/dbraw/zinc/01/13/40/475011340.db2.gz BQQBEZRWPQGILO-CQSZACIVSA-N 1 0 337.420 2.541 20 5 EFBDRO C[NH+]1CCC(C)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000326987709 475014367 /nfs/dbraw/zinc/01/43/67/475014367.db2.gz SGUJVVJRQHTMJA-UHFFFAOYSA-N 1 0 332.404 2.623 20 5 EFBDRO Cc1cccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000261667525 475017039 /nfs/dbraw/zinc/01/70/39/475017039.db2.gz LIUIQWGDQXYWDI-MRXNPFEDSA-N 1 0 325.368 2.520 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1F ZINC000285431573 475019770 /nfs/dbraw/zinc/01/97/70/475019770.db2.gz WTGJTQZVFQOPMS-OAHLLOKOSA-N 1 0 348.374 2.648 20 5 EFBDRO COc1ccc(C[NH2+]CCC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609287636 480138838 /nfs/dbraw/zinc/13/88/38/480138838.db2.gz HGCVYFKJGQBLSJ-UHFFFAOYSA-N 1 0 343.383 2.746 20 5 EFBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292429186 475021071 /nfs/dbraw/zinc/02/10/71/475021071.db2.gz VXKVSQVFWAVHSU-HNNXBMFYSA-N 1 0 333.432 2.780 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000327426161 475021602 /nfs/dbraw/zinc/02/16/02/475021602.db2.gz QAAKFRHSOSVCJZ-UHFFFAOYSA-N 1 0 342.399 2.593 20 5 EFBDRO COC(=O)[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000280347344 475021927 /nfs/dbraw/zinc/02/19/27/475021927.db2.gz WEZCKRKVJALCMW-QMTHXVAHSA-N 1 0 329.356 2.697 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285453183 475024202 /nfs/dbraw/zinc/02/42/02/475024202.db2.gz GKLSHUZNRZSBSR-WBVHZDCISA-N 1 0 333.432 2.922 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285453178 475025114 /nfs/dbraw/zinc/02/51/14/475025114.db2.gz GKLSHUZNRZSBSR-NVXWUHKLSA-N 1 0 333.432 2.922 20 5 EFBDRO CSc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000339195616 475027366 /nfs/dbraw/zinc/02/73/66/475027366.db2.gz UPOSEROMQQRJIC-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328401125 475029695 /nfs/dbraw/zinc/02/96/95/475029695.db2.gz DRZFWGYOAACFKE-ZDUSSCGKSA-N 1 0 325.368 2.681 20 5 EFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337450236 475030735 /nfs/dbraw/zinc/03/07/35/475030735.db2.gz FFEKOGZITUAZNP-UONOGXRCSA-N 1 0 335.404 2.549 20 5 EFBDRO C[NH2+][C@@H](C)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261699680 475031406 /nfs/dbraw/zinc/03/14/06/475031406.db2.gz HZUUXFDBQPIVMB-DTWKUNHWSA-N 1 0 340.767 2.922 20 5 EFBDRO Cc1cccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000280674565 475042091 /nfs/dbraw/zinc/04/20/91/475042091.db2.gz UKVWLTFFKACPMX-CQSZACIVSA-N 1 0 342.399 2.848 20 5 EFBDRO CCOC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268838392 475046110 /nfs/dbraw/zinc/04/61/10/475046110.db2.gz NYTOZTZFVKSQOL-BBRMVZONSA-N 1 0 347.415 2.692 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000261755063 475051619 /nfs/dbraw/zinc/05/16/19/475051619.db2.gz MBOPAGCFLRFRQC-SECBINFHSA-N 1 0 345.384 2.919 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292486780 475052032 /nfs/dbraw/zinc/05/20/32/475052032.db2.gz FAGWTNNJPBIEMJ-SFHVURJKSA-N 1 0 349.406 2.566 20 5 EFBDRO COC[C@@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261835045 475080596 /nfs/dbraw/zinc/08/05/96/475080596.db2.gz IJFARETVPAUDSL-ZDUSSCGKSA-N 1 0 333.310 2.794 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000261849412 475084625 /nfs/dbraw/zinc/08/46/25/475084625.db2.gz SSJHRVPPQRGEIM-SSDOTTSWSA-N 1 0 341.165 2.558 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341496242 475090512 /nfs/dbraw/zinc/09/05/12/475090512.db2.gz YYBBATNGNSRIDN-JSGCOSHPSA-N 1 0 336.388 2.672 20 5 EFBDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268965116 475099029 /nfs/dbraw/zinc/09/90/29/475099029.db2.gz YOIHUTNWXSIGJV-VXGBXAGGSA-N 1 0 336.413 2.981 20 5 EFBDRO C[NH2+][C@H](C)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000261906253 475109193 /nfs/dbraw/zinc/10/91/93/475109193.db2.gz ZDKGPWJYQJJNAE-SECBINFHSA-N 1 0 345.384 2.919 20 5 EFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000609333422 480146975 /nfs/dbraw/zinc/14/69/75/480146975.db2.gz GCCOPGFMRSRGCY-UHFFFAOYSA-N 1 0 332.360 2.506 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000261941308 475121761 /nfs/dbraw/zinc/12/17/61/475121761.db2.gz UTEGXYAVIQHGDD-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000287388969 475126253 /nfs/dbraw/zinc/12/62/53/475126253.db2.gz ROMLHJHQGFBBJE-GFCCVEGCSA-N 1 0 347.444 2.912 20 5 EFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000292633621 475126382 /nfs/dbraw/zinc/12/63/82/475126382.db2.gz JRRIKDMMOLJXFK-CYBMUJFWSA-N 1 0 337.420 2.636 20 5 EFBDRO CC[NH+](CC)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273942811 475130179 /nfs/dbraw/zinc/13/01/79/475130179.db2.gz KKRCFRIXTKYMNO-UHFFFAOYSA-N 1 0 339.411 2.860 20 5 EFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000273959020 475138701 /nfs/dbraw/zinc/13/87/01/475138701.db2.gz NSSGUWISJHITMS-UKRRQHHQSA-N 1 0 327.388 2.850 20 5 EFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000273962927 475139512 /nfs/dbraw/zinc/13/95/12/475139512.db2.gz GPYAIJQXJROYOS-RISCZKNCSA-N 1 0 334.376 2.702 20 5 EFBDRO Cc1c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000281267189 475143645 /nfs/dbraw/zinc/14/36/45/475143645.db2.gz WTRHSJFJVGXGNH-LBPRGKRZSA-N 1 0 326.418 2.521 20 5 EFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000262012041 475144191 /nfs/dbraw/zinc/14/41/91/475144191.db2.gz UNKSEZPZSKOPIE-KRWDZBQOSA-N 1 0 342.399 2.730 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295975968 475152245 /nfs/dbraw/zinc/15/22/45/475152245.db2.gz JAOMUNXUVIOPJM-LNSITVRQSA-N 1 0 326.418 2.601 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295975980 475152588 /nfs/dbraw/zinc/15/25/88/475152588.db2.gz JAOMUNXUVIOPJM-NJZAAPMLSA-N 1 0 326.418 2.601 20 5 EFBDRO Cc1nccn1CCCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287457318 475154863 /nfs/dbraw/zinc/15/48/63/475154863.db2.gz WAGZJMOMIFSBGY-UHFFFAOYSA-N 1 0 332.389 2.997 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262045020 475157054 /nfs/dbraw/zinc/15/70/54/475157054.db2.gz ULBDRCMYUZXQSJ-ZWKOTPCHSA-N 1 0 341.411 2.920 20 5 EFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000262062933 475161999 /nfs/dbraw/zinc/16/19/99/475161999.db2.gz WCAKJQGRXOQNHC-CYBMUJFWSA-N 1 0 335.360 2.582 20 5 EFBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000262100733 475170982 /nfs/dbraw/zinc/17/09/82/475170982.db2.gz CEINMDBDILJABI-UHFFFAOYSA-N 1 0 341.367 2.869 20 5 EFBDRO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296035793 475174001 /nfs/dbraw/zinc/17/40/01/475174001.db2.gz NPWRQTBZKIYGRZ-TZMCWYRMSA-N 1 0 329.404 2.776 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000296072154 475186472 /nfs/dbraw/zinc/18/64/72/475186472.db2.gz ORECRCZEOYIKKL-LLVKDONJSA-N 1 0 341.383 2.593 20 5 EFBDRO CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000339389401 475187786 /nfs/dbraw/zinc/18/77/86/475187786.db2.gz PPPPUKNAYSRWFK-ZWNOBZJWSA-N 1 0 347.375 2.515 20 5 EFBDRO COc1cc(CN2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000296078001 475187959 /nfs/dbraw/zinc/18/79/59/475187959.db2.gz PALVXXUKTLEEME-GFCCVEGCSA-N 1 0 326.368 2.725 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000296089793 475192704 /nfs/dbraw/zinc/19/27/04/475192704.db2.gz WLXWDKUDODYRFS-SJLPKXTDSA-N 1 0 327.384 2.903 20 5 EFBDRO COc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1OC(C)C ZINC000341635229 475197757 /nfs/dbraw/zinc/19/77/57/475197757.db2.gz HXDFVFQHGNASPE-CYBMUJFWSA-N 1 0 348.403 2.938 20 5 EFBDRO CC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292813032 475205344 /nfs/dbraw/zinc/20/53/44/475205344.db2.gz CLOOUYQHZLMMGA-QWHCGFSZSA-N 1 0 336.310 2.575 20 5 EFBDRO C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262286372 475213982 /nfs/dbraw/zinc/21/39/82/475213982.db2.gz MJMKAXSDGXNGNX-PLVSLEAYSA-N 1 0 331.416 2.926 20 5 EFBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCc2ccccc21 ZINC000341681880 475221207 /nfs/dbraw/zinc/22/12/07/475221207.db2.gz BNHFNYFLIGOKTF-GOSISDBHSA-N 1 0 327.384 2.598 20 5 EFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262336573 475222243 /nfs/dbraw/zinc/22/22/43/475222243.db2.gz GDZRXFSRXXQTCQ-CQSZACIVSA-N 1 0 348.447 2.559 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)cc([N+](=O)[O-])c3)n1)OC2 ZINC000347325689 475231761 /nfs/dbraw/zinc/23/17/61/475231761.db2.gz HQBGKJFLBLLKBT-XJKSGUPXSA-N 1 0 348.334 2.710 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347333404 475240496 /nfs/dbraw/zinc/24/04/96/475240496.db2.gz YUKVXEWJMLYLGY-PBHICJAKSA-N 1 0 344.371 2.879 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347333410 475240628 /nfs/dbraw/zinc/24/06/28/475240628.db2.gz YUKVXEWJMLYLGY-WMLDXEAASA-N 1 0 344.371 2.879 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000357904758 475247194 /nfs/dbraw/zinc/24/71/94/475247194.db2.gz HNMIVFJBFHHPAB-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000357910457 475253091 /nfs/dbraw/zinc/25/30/91/475253091.db2.gz VAAVOZRDCZKBSA-LLVKDONJSA-N 1 0 342.827 2.776 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000337723817 475272547 /nfs/dbraw/zinc/27/25/47/475272547.db2.gz YFOMNLWHFMSHGW-UHFFFAOYSA-N 1 0 349.394 2.675 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000361211919 475272890 /nfs/dbraw/zinc/27/28/90/475272890.db2.gz RPMLCZASIRJDIK-MRXNPFEDSA-N 1 0 333.432 2.718 20 5 EFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1=CC[N@H+](C)CC1 ZINC000354588539 475273243 /nfs/dbraw/zinc/27/32/43/475273243.db2.gz QWYHIGKLRJALIL-UHFFFAOYSA-N 1 0 337.351 2.584 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361213218 475274074 /nfs/dbraw/zinc/27/40/74/475274074.db2.gz QEPJPUGYMNXEEY-BMFZPTHFSA-N 1 0 333.432 2.762 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000347371719 475274015 /nfs/dbraw/zinc/27/40/15/475274015.db2.gz VSXVOPUKJWFXBX-LTBFUDJGSA-N 1 0 331.416 2.976 20 5 EFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000296336205 475274571 /nfs/dbraw/zinc/27/45/71/475274571.db2.gz RAVXUDSIBWDZNR-DYVFJYSZSA-N 1 0 346.387 2.938 20 5 EFBDRO COc1c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354596395 475278209 /nfs/dbraw/zinc/27/82/09/475278209.db2.gz NCFFKYHBZKOEHT-AWEZNQCLSA-N 1 0 349.431 2.845 20 5 EFBDRO COc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354602866 475283818 /nfs/dbraw/zinc/28/38/18/475283818.db2.gz ORFZYIDUKBIKDH-CQSZACIVSA-N 1 0 349.431 2.988 20 5 EFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347400921 475297749 /nfs/dbraw/zinc/29/77/49/475297749.db2.gz AOROQKTUIJXFDT-CYBMUJFWSA-N 1 0 343.431 2.882 20 5 EFBDRO CCC[NH+](CCC)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347401497 475298576 /nfs/dbraw/zinc/29/85/76/475298576.db2.gz CMLZBOPPOYCFGS-UHFFFAOYSA-N 1 0 331.420 2.884 20 5 EFBDRO Cc1c(Br)c(NC[C@@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000347405947 475302464 /nfs/dbraw/zinc/30/24/64/475302464.db2.gz ZTSRNHKMKDYQLK-NSHDSACASA-N 1 0 343.225 2.813 20 5 EFBDRO CS[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000296476189 475332822 /nfs/dbraw/zinc/33/28/22/475332822.db2.gz YBGNSKYONZQPBR-SNVBAGLBSA-N 1 0 329.809 2.624 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000296421813 475307193 /nfs/dbraw/zinc/30/71/93/475307193.db2.gz XZTRWWSUIXYQOL-IAGOWNOFSA-N 1 0 332.400 2.519 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361256362 475307245 /nfs/dbraw/zinc/30/72/45/475307245.db2.gz BPMHYLZSNKQFIB-CYBMUJFWSA-N 1 0 331.420 2.777 20 5 EFBDRO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296425251 475310481 /nfs/dbraw/zinc/31/04/81/475310481.db2.gz STVSGJXVPVDXBZ-ZDUSSCGKSA-N 1 0 346.431 2.972 20 5 EFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000341800075 475311838 /nfs/dbraw/zinc/31/18/38/475311838.db2.gz QKHPBMCMBZIPGR-GDBMZVCRSA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000354681851 475334868 /nfs/dbraw/zinc/33/48/68/475334868.db2.gz JWRNWQUGKVVCAP-HNNXBMFYSA-N 1 0 331.416 2.994 20 5 EFBDRO Cc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296485444 475336925 /nfs/dbraw/zinc/33/69/25/475336925.db2.gz KRJUNQXYLIVQQO-OAHLLOKOSA-N 1 0 327.388 2.770 20 5 EFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296491233 475340538 /nfs/dbraw/zinc/34/05/38/475340538.db2.gz PORCOKCBAHVACB-LSDHHAIUSA-N 1 0 348.447 2.933 20 5 EFBDRO CCC[C@@H]([NH2+][C@H](CCSC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000352488514 475341674 /nfs/dbraw/zinc/34/16/74/475341674.db2.gz QYOVWCFUFDDZMT-HUUCEWRRSA-N 1 0 339.461 2.893 20 5 EFBDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296495490 475342029 /nfs/dbraw/zinc/34/20/29/475342029.db2.gz YIHBLOLHPDVJIY-KBPBESRZSA-N 1 0 334.420 2.687 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000341853376 475358421 /nfs/dbraw/zinc/35/84/21/475358421.db2.gz NAKLINLARMPLJA-OAHLLOKOSA-N 1 0 331.397 2.996 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1nccs1 ZINC000358045857 475361064 /nfs/dbraw/zinc/36/10/64/475361064.db2.gz KEEQVPWWXOLBEG-LBPRGKRZSA-N 1 0 348.428 2.991 20 5 EFBDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000352505108 475361367 /nfs/dbraw/zinc/36/13/67/475361367.db2.gz XXAQALGIBKQSKN-JSGCOSHPSA-N 1 0 339.461 2.764 20 5 EFBDRO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331652502 475364615 /nfs/dbraw/zinc/36/46/15/475364615.db2.gz KKWMNWLJLDXRIK-HOTGVXAUSA-N 1 0 333.388 2.567 20 5 EFBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000296568580 475375497 /nfs/dbraw/zinc/37/54/97/475375497.db2.gz QHAIZZZQJPXVPX-SNVBAGLBSA-N 1 0 333.417 2.613 20 5 EFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1C ZINC000348091224 475378522 /nfs/dbraw/zinc/37/85/22/475378522.db2.gz ZYWUXKXMMUFVPN-GFCCVEGCSA-N 1 0 331.372 2.879 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341885260 475382474 /nfs/dbraw/zinc/38/24/74/475382474.db2.gz LTFXXNSHLAFWDK-YOEHRIQHSA-N 1 0 326.400 2.928 20 5 EFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331723143 475392172 /nfs/dbraw/zinc/39/21/72/475392172.db2.gz LNAUFVMPXMROKY-INIZCTEOSA-N 1 0 331.416 2.994 20 5 EFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000296605242 475392459 /nfs/dbraw/zinc/39/24/59/475392459.db2.gz OVJAAMSEYLWUCH-INIZCTEOSA-N 1 0 336.367 2.684 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348103483 475392600 /nfs/dbraw/zinc/39/26/00/475392600.db2.gz CFZZMDRKGCUUNE-GXFFZTMASA-N 1 0 334.294 2.803 20 5 EFBDRO O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339672311 475394418 /nfs/dbraw/zinc/39/44/18/475394418.db2.gz AFUGGHMTZQGLPC-CQSZACIVSA-N 1 0 329.400 2.606 20 5 EFBDRO Cc1nn(C)c2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc12 ZINC000352543813 475396813 /nfs/dbraw/zinc/39/68/13/475396813.db2.gz KCOVNINJPBEAEP-UHFFFAOYSA-N 1 0 339.399 2.859 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339674644 475397114 /nfs/dbraw/zinc/39/71/14/475397114.db2.gz CVGVUKVKRBTWIH-STQMWFEESA-N 1 0 329.356 2.698 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331737976 475399189 /nfs/dbraw/zinc/39/91/89/475399189.db2.gz USPGGZRYWCIJFG-CABCVRRESA-N 1 0 331.416 2.990 20 5 EFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339678059 475402860 /nfs/dbraw/zinc/40/28/60/475402860.db2.gz PUOJAJRFICBPBW-ZDUSSCGKSA-N 1 0 327.388 2.501 20 5 EFBDRO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000339682169 475405476 /nfs/dbraw/zinc/40/54/76/475405476.db2.gz JBZSMQROBFACNB-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO Cc1ccc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000352562968 475414786 /nfs/dbraw/zinc/41/47/86/475414786.db2.gz OAXBZOCYKYEYDU-UHFFFAOYSA-N 1 0 342.399 2.801 20 5 EFBDRO CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C[NH+]1CCCC1 ZINC000361397186 475415576 /nfs/dbraw/zinc/41/55/76/475415576.db2.gz KTSSBTONRBLHNI-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345750514 475417498 /nfs/dbraw/zinc/41/74/98/475417498.db2.gz CVMFPIDZZGLKPK-HZSPNIEDSA-N 1 0 334.420 2.780 20 5 EFBDRO [NH3+]C1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000331813583 475421302 /nfs/dbraw/zinc/42/13/02/475421302.db2.gz KPUIYWPEBWZVDF-FHERZECASA-N 1 0 346.431 2.754 20 5 EFBDRO CN(CC[NH+]1CCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358127620 475423123 /nfs/dbraw/zinc/42/31/23/475423123.db2.gz QXEFWYVISDALNJ-UHFFFAOYSA-N 1 0 337.395 2.566 20 5 EFBDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348142383 475423531 /nfs/dbraw/zinc/42/35/31/475423531.db2.gz NFQYQJSFRZJAID-DGCLKSJQSA-N 1 0 332.360 2.550 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000358132132 475426686 /nfs/dbraw/zinc/42/66/86/475426686.db2.gz GQSSHLDXDUTGCS-AWEZNQCLSA-N 1 0 336.436 2.507 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000296685650 475429623 /nfs/dbraw/zinc/42/96/23/475429623.db2.gz IZJNTIOGYSVMRQ-KRWDZBQOSA-N 1 0 348.403 2.553 20 5 EFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296687148 475429872 /nfs/dbraw/zinc/42/98/72/475429872.db2.gz JGLPSUSYYHPCNW-WFASDCNBSA-N 1 0 334.347 2.824 20 5 EFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339710292 475432853 /nfs/dbraw/zinc/43/28/53/475432853.db2.gz LIJPDTABEULRRM-GOSISDBHSA-N 1 0 349.431 2.654 20 5 EFBDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000354830035 475443780 /nfs/dbraw/zinc/44/37/80/475443780.db2.gz JJVQVFULIFSRBX-STQMWFEESA-N 1 0 345.374 2.903 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000358152871 475444762 /nfs/dbraw/zinc/44/47/62/475444762.db2.gz LEDVLEPNJRPEBS-JSGCOSHPSA-N 1 0 335.404 2.653 20 5 EFBDRO NC(=O)c1cccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000296721356 475446255 /nfs/dbraw/zinc/44/62/55/475446255.db2.gz NNVGOGKTWGJGAG-UHFFFAOYSA-N 1 0 339.395 2.901 20 5 EFBDRO COC[C@]1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296726017 475448797 /nfs/dbraw/zinc/44/87/97/475448797.db2.gz NROLMLMCWDEEFU-MRXNPFEDSA-N 1 0 332.360 2.503 20 5 EFBDRO O=C(C[N@@H+]1CCCC2(CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000348180096 475463045 /nfs/dbraw/zinc/46/30/45/475463045.db2.gz KKAQLALTXDILDL-UHFFFAOYSA-N 1 0 329.400 2.750 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)CCc1ccccc1)CCO2 ZINC000352620431 475465651 /nfs/dbraw/zinc/46/56/51/475465651.db2.gz CXHHXRZNIVPABQ-SFHVURJKSA-N 1 0 342.395 2.783 20 5 EFBDRO COCCOC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358193137 475478316 /nfs/dbraw/zinc/47/83/16/475478316.db2.gz ADBLEHKRMQRNOJ-ZOBUZTSGSA-N 1 0 336.432 2.947 20 5 EFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345817967 475479569 /nfs/dbraw/zinc/47/95/69/475479569.db2.gz QKWBWCGXGPTSPN-QGZVFWFLSA-N 1 0 344.415 2.809 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCC3CCOCC3)CC2)c1 ZINC000332011255 475485468 /nfs/dbraw/zinc/48/54/68/475485468.db2.gz DEWXQZQQIYJXAW-UHFFFAOYSA-N 1 0 333.432 2.924 20 5 EFBDRO CS[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332070156 475500068 /nfs/dbraw/zinc/50/00/68/475500068.db2.gz BMMODXNMCKQEDI-CVEARBPZSA-N 1 0 349.456 2.555 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C(=O)NC)cc1[N+](=O)[O-] ZINC000358231725 475511667 /nfs/dbraw/zinc/51/16/67/475511667.db2.gz ASKYEOBLFAVDHI-IACUBPJLSA-N 1 0 335.404 2.559 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000296865089 475512346 /nfs/dbraw/zinc/51/23/46/475512346.db2.gz IJWRQEPGBGQVAA-LLVKDONJSA-N 1 0 325.796 2.805 20 5 EFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354914540 475515681 /nfs/dbraw/zinc/51/56/81/475515681.db2.gz DPCQUNFLUKXTJP-GXTWGEPZSA-N 1 0 336.388 2.767 20 5 EFBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000296876968 475516840 /nfs/dbraw/zinc/51/68/40/475516840.db2.gz QCFFRDKACBOMLN-VIFPVBQESA-N 1 0 346.309 2.687 20 5 EFBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332202504 475556069 /nfs/dbraw/zinc/55/60/69/475556069.db2.gz GLWPFRCTARAOAQ-CYBMUJFWSA-N 1 0 335.360 2.741 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296997896 475567967 /nfs/dbraw/zinc/56/79/67/475567967.db2.gz UUOMDNNRIPEIHM-KRWDZBQOSA-N 1 0 348.403 2.553 20 5 EFBDRO Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296996292 475568704 /nfs/dbraw/zinc/56/87/04/475568704.db2.gz FRGZECGRODPHIN-MRXNPFEDSA-N 1 0 341.415 2.652 20 5 EFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000346202847 475569718 /nfs/dbraw/zinc/56/97/18/475569718.db2.gz AMXFGJDIGMKZCA-INIZCTEOSA-N 1 0 329.404 2.953 20 5 EFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332240998 475571147 /nfs/dbraw/zinc/57/11/47/475571147.db2.gz IZQJQBZVUDEXEJ-RYUDHWBXSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000332240996 475571233 /nfs/dbraw/zinc/57/12/33/475571233.db2.gz IZQJQBZVUDEXEJ-NEPJUHHUSA-N 1 0 330.388 2.631 20 5 EFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000332246997 475573501 /nfs/dbraw/zinc/57/35/01/475573501.db2.gz BIKVOQWBGMLJCT-UKRRQHHQSA-N 1 0 347.415 2.670 20 5 EFBDRO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000332258412 475577763 /nfs/dbraw/zinc/57/77/63/475577763.db2.gz ZZQDZDRCTWRTHQ-OLZOCXBDSA-N 1 0 338.429 2.802 20 5 EFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358312210 475582308 /nfs/dbraw/zinc/58/23/08/475582308.db2.gz LLLJYKPIKKGJLN-OAHLLOKOSA-N 1 0 334.420 2.611 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000332266913 475582450 /nfs/dbraw/zinc/58/24/50/475582450.db2.gz FNDOQZPQBIKCJC-QCEMKRCNSA-N 1 0 346.431 2.733 20 5 EFBDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348315105 475584913 /nfs/dbraw/zinc/58/49/13/475584913.db2.gz CXGRVAJVBRQFJR-GOSISDBHSA-N 1 0 345.447 2.538 20 5 EFBDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000332280970 475585749 /nfs/dbraw/zinc/58/57/49/475585749.db2.gz DMGKZYOKLRAROZ-QGZVFWFLSA-N 1 0 335.404 2.733 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000358322111 475589605 /nfs/dbraw/zinc/58/96/05/475589605.db2.gz QXCDHIJHXGVONN-CYBMUJFWSA-N 1 0 344.415 2.993 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332338479 475606079 /nfs/dbraw/zinc/60/60/79/475606079.db2.gz DJKXHLYGLFFCRO-LJQANCHMSA-N 1 0 346.475 2.980 20 5 EFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355034382 475612707 /nfs/dbraw/zinc/61/27/07/475612707.db2.gz HCWBDZARJMMTDD-KGLIPLIRSA-N 1 0 334.372 2.521 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332378785 475617939 /nfs/dbraw/zinc/61/79/39/475617939.db2.gz UJOFICQMQLAZJU-LBPRGKRZSA-N 1 0 344.415 2.878 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332398323 475624333 /nfs/dbraw/zinc/62/43/33/475624333.db2.gz QRTJQZQGXAGOQZ-JFIYKMOQSA-N 1 0 346.475 2.614 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297133339 475624610 /nfs/dbraw/zinc/62/46/10/475624610.db2.gz UJQCWVHQXFHUNI-IKKMQULASA-N 1 0 349.456 2.817 20 5 EFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000361643904 475625525 /nfs/dbraw/zinc/62/55/25/475625525.db2.gz JIQTZVWTRRBRBI-OAHLLOKOSA-N 1 0 332.404 2.995 20 5 EFBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332415833 475631694 /nfs/dbraw/zinc/63/16/94/475631694.db2.gz MOJHAGZXTBHYHD-UHFFFAOYSA-N 1 0 349.435 2.532 20 5 EFBDRO CCOC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352797337 475634058 /nfs/dbraw/zinc/63/40/58/475634058.db2.gz QBQFLCFKZNEPRU-MSOLQXFVSA-N 1 0 330.384 2.671 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000361658734 475637510 /nfs/dbraw/zinc/63/75/10/475637510.db2.gz GJMBUBMQLQIMRP-IDKBZEPQSA-N 1 0 329.400 2.695 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442656 475639267 /nfs/dbraw/zinc/63/92/67/475639267.db2.gz CLKALFSKHBJBLG-KGLIPLIRSA-N 1 0 349.456 2.772 20 5 EFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000332442661 475639940 /nfs/dbraw/zinc/63/99/40/475639940.db2.gz CLKALFSKHBJBLG-UONOGXRCSA-N 1 0 349.456 2.772 20 5 EFBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000297180730 475643109 /nfs/dbraw/zinc/64/31/09/475643109.db2.gz QAHSIMIQRDVDSU-UHFFFAOYSA-N 1 0 341.415 2.794 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358391758 475643379 /nfs/dbraw/zinc/64/33/79/475643379.db2.gz FOEIZXBQAQFSLP-STQMWFEESA-N 1 0 349.456 2.818 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332463362 475644488 /nfs/dbraw/zinc/64/44/88/475644488.db2.gz QURYYTBMZBJIDU-INIZCTEOSA-N 1 0 335.452 2.691 20 5 EFBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCC[C@@H](C)C1 ZINC000342923722 475655554 /nfs/dbraw/zinc/65/55/54/475655554.db2.gz FYWRPMAKWNTMGR-OLZOCXBDSA-N 1 0 344.415 2.926 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)CN1Cc1ccccc1 ZINC000346561936 475658332 /nfs/dbraw/zinc/65/83/32/475658332.db2.gz CJXAHUPJAGIIRE-ZIAGYGMSSA-N 1 0 342.399 2.658 20 5 EFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC000346561928 475658693 /nfs/dbraw/zinc/65/86/93/475658693.db2.gz CJXAHUPJAGIIRE-KBPBESRZSA-N 1 0 342.399 2.658 20 5 EFBDRO C[NH+](C)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000346566206 475662815 /nfs/dbraw/zinc/66/28/15/475662815.db2.gz DSTQAJPCKFNNJJ-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000332550920 475665552 /nfs/dbraw/zinc/66/55/52/475665552.db2.gz JSAVJXRFVJWHQQ-JKSUJKDBSA-N 1 0 346.431 2.671 20 5 EFBDRO Cc1c(CNC(=O)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000358425762 475668192 /nfs/dbraw/zinc/66/81/92/475668192.db2.gz LXNFQFIMSAMHOH-UHFFFAOYSA-N 1 0 334.420 2.577 20 5 EFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(F)cc1 ZINC000297235824 475669389 /nfs/dbraw/zinc/66/93/89/475669389.db2.gz PHQNPQBZAKMJRM-IRXDYDNUSA-N 1 0 343.358 2.691 20 5 EFBDRO CNC(=O)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000297281965 475690710 /nfs/dbraw/zinc/69/07/10/475690710.db2.gz ABMNPLOFQZLHNE-UHFFFAOYSA-N 1 0 331.397 2.501 20 5 EFBDRO C[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000332631098 475694894 /nfs/dbraw/zinc/69/48/94/475694894.db2.gz UWATUAMXEHCHDD-IPYPFGDCSA-N 1 0 349.406 2.923 20 5 EFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000338232563 475695335 /nfs/dbraw/zinc/69/53/35/475695335.db2.gz PLHRUIHNTVSPGT-UHFFFAOYSA-N 1 0 330.388 2.563 20 5 EFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000297300671 475698042 /nfs/dbraw/zinc/69/80/42/475698042.db2.gz DZHMDCQTPZZMIS-MWLCHTKSSA-N 1 0 343.836 2.679 20 5 EFBDRO COc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353127641 475703192 /nfs/dbraw/zinc/70/31/92/475703192.db2.gz PQRXQAIKJKXWHA-XMMPIXPASA-N 1 0 348.424 2.772 20 5 EFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348520578 475719009 /nfs/dbraw/zinc/71/90/09/475719009.db2.gz KRGXKWKDGYBHHQ-DGCLKSJQSA-N 1 0 346.330 2.732 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000348519892 475719539 /nfs/dbraw/zinc/71/95/39/475719539.db2.gz GKRZOKMHIGFUJD-STQMWFEESA-N 1 0 343.330 2.673 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000361757122 475724222 /nfs/dbraw/zinc/72/42/22/475724222.db2.gz WSPAWYBXOZKROD-WMLDXEAASA-N 1 0 348.447 2.652 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000343061623 475733023 /nfs/dbraw/zinc/73/30/23/475733023.db2.gz HCZDVDLRMBHYMG-CYBMUJFWSA-N 1 0 339.461 2.876 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348538568 475736448 /nfs/dbraw/zinc/73/64/48/475736448.db2.gz UBYYALIDHHSYEB-BIMULSAOSA-N 1 0 343.330 2.672 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348538570 475737399 /nfs/dbraw/zinc/73/73/99/475737399.db2.gz UBYYALIDHHSYEB-XDTLVQLUSA-N 1 0 343.330 2.672 20 5 EFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361787489 475753565 /nfs/dbraw/zinc/75/35/65/475753565.db2.gz NOZQIRMPWGCGIU-JTQLQIEISA-N 1 0 345.321 2.780 20 5 EFBDRO Cn1c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000338293216 475754125 /nfs/dbraw/zinc/75/41/25/475754125.db2.gz SQLODYSTVXLLCZ-UHFFFAOYSA-N 1 0 344.415 2.574 20 5 EFBDRO NC(=O)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000346674137 475754657 /nfs/dbraw/zinc/75/46/57/475754657.db2.gz TYDIQNOEIXYSIY-CQSZACIVSA-N 1 0 347.802 2.682 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000358540165 475757388 /nfs/dbraw/zinc/75/73/88/475757388.db2.gz KKDUQVJUAUOVHB-UHFFFAOYSA-N 1 0 335.404 2.516 20 5 EFBDRO O=C(C[NH2+][C@@H]1CCc2ccccc2OC1)Nc1ccccc1[N+](=O)[O-] ZINC000338316278 475777355 /nfs/dbraw/zinc/77/73/55/475777355.db2.gz PWDFBJWVTCMACI-CQSZACIVSA-N 1 0 341.367 2.517 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297489112 475779128 /nfs/dbraw/zinc/77/91/28/475779128.db2.gz FJWMOQANNNQFNH-KGLIPLIRSA-N 1 0 346.431 2.782 20 5 EFBDRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297489101 475780054 /nfs/dbraw/zinc/78/00/54/475780054.db2.gz FJWMOQANNNQFNH-KBPBESRZSA-N 1 0 346.431 2.782 20 5 EFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1COC[C@H]1O ZINC000348631475 475785921 /nfs/dbraw/zinc/78/59/21/475785921.db2.gz DJXRXRIRYSZKRJ-LSDHHAIUSA-N 1 0 334.397 2.515 20 5 EFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338327465 475790798 /nfs/dbraw/zinc/79/07/98/475790798.db2.gz WQASWOVRSRVGMN-OCCSQVGLSA-N 1 0 345.403 2.984 20 5 EFBDRO COCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338362864 475827480 /nfs/dbraw/zinc/82/74/80/475827480.db2.gz PUSDFYBACXJXOP-INIZCTEOSA-N 1 0 349.431 2.525 20 5 EFBDRO Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297667671 475850607 /nfs/dbraw/zinc/85/06/07/475850607.db2.gz ZQIHCOJZHOACJH-DOMZBBRYSA-N 1 0 327.388 2.768 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346777581 475851790 /nfs/dbraw/zinc/85/17/90/475851790.db2.gz SXHLRWNPZUZGCF-VXGBXAGGSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1ncc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)[nH]1 ZINC000346786529 475859136 /nfs/dbraw/zinc/85/91/36/475859136.db2.gz DDIANSVKKOWWRD-OAHLLOKOSA-N 1 0 328.372 2.510 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297701218 475860591 /nfs/dbraw/zinc/86/05/91/475860591.db2.gz RFKIJGISWWKMIH-KGLIPLIRSA-N 1 0 334.420 2.782 20 5 EFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CO2 ZINC000297725623 475867296 /nfs/dbraw/zinc/86/72/96/475867296.db2.gz NJPXOUPPAOBKJA-OAHLLOKOSA-N 1 0 328.368 2.739 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297802415 475891584 /nfs/dbraw/zinc/89/15/84/475891584.db2.gz YEQBKQUQXDCCKT-YOEHRIQHSA-N 1 0 346.431 2.926 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000346830013 475893404 /nfs/dbraw/zinc/89/34/04/475893404.db2.gz PCKDITRQJBWYCS-DDTOSNHZSA-N 1 0 341.358 2.755 20 5 EFBDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297816757 475895409 /nfs/dbraw/zinc/89/54/09/475895409.db2.gz ZBCGLDSVDOMZKU-JLJPHGGASA-N 1 0 346.431 2.782 20 5 EFBDRO CCC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346840688 475903334 /nfs/dbraw/zinc/90/33/34/475903334.db2.gz UXQMXWVLYYHUNU-HOTGVXAUSA-N 1 0 340.445 2.993 20 5 EFBDRO COCC1(C)CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000358747980 475903935 /nfs/dbraw/zinc/90/39/35/475903935.db2.gz UYBMWDVQOIKJBV-UHFFFAOYSA-N 1 0 338.404 2.731 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343265724 475904770 /nfs/dbraw/zinc/90/47/70/475904770.db2.gz GTXODYKDPDUIMD-GUTXKFCHSA-N 1 0 349.456 2.818 20 5 EFBDRO CO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C[NH3+])C1 ZINC000346846775 475908160 /nfs/dbraw/zinc/90/81/60/475908160.db2.gz BZQKHGMRPZZFIW-ZIAGYGMSSA-N 1 0 345.399 2.793 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000338468532 475934512 /nfs/dbraw/zinc/93/45/12/475934512.db2.gz DHVZKWPANOAGPQ-CYBMUJFWSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000353396501 475935187 /nfs/dbraw/zinc/93/51/87/475935187.db2.gz UBLAHAKZXZUDPS-CPUCHLNUSA-N 1 0 344.415 2.822 20 5 EFBDRO COc1cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000338477650 475941648 /nfs/dbraw/zinc/94/16/48/475941648.db2.gz OAJOSALDCYCCEC-VXGBXAGGSA-N 1 0 338.404 2.992 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)c1 ZINC000358800406 475949529 /nfs/dbraw/zinc/94/95/29/475949529.db2.gz BIKQQMFPTQTFAU-GOSISDBHSA-N 1 0 349.431 2.650 20 5 EFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)c1 ZINC000358800408 475949752 /nfs/dbraw/zinc/94/97/52/475949752.db2.gz BIKQQMFPTQTFAU-SFHVURJKSA-N 1 0 349.431 2.650 20 5 EFBDRO Cc1ccc(C[NH2+]CC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000355487345 475977719 /nfs/dbraw/zinc/97/77/19/475977719.db2.gz QNSROBVECRFJIB-UHFFFAOYSA-N 1 0 325.368 2.535 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000298143788 475997639 /nfs/dbraw/zinc/99/76/39/475997639.db2.gz ATCYZXIOOVRMNF-UHFFFAOYSA-N 1 0 348.447 2.606 20 5 EFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCCOC3)CC2)ccc1[N+](=O)[O-] ZINC000355516673 476000167 /nfs/dbraw/zinc/00/01/67/476000167.db2.gz QCQWFIUKTIIRHU-OAHLLOKOSA-N 1 0 349.431 2.542 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298165021 476005592 /nfs/dbraw/zinc/00/55/92/476005592.db2.gz YGIGVJASQJHMFP-RMKNXTFCSA-N 1 0 331.416 2.939 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000343384143 476008226 /nfs/dbraw/zinc/00/82/26/476008226.db2.gz JOTMEIYWKSSWIL-OAHLLOKOSA-N 1 0 335.404 2.637 20 5 EFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCC1 ZINC000353484626 476008823 /nfs/dbraw/zinc/00/88/23/476008823.db2.gz KDYKWASDDYDNHV-UHFFFAOYSA-N 1 0 331.372 2.639 20 5 EFBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000358881194 476009259 /nfs/dbraw/zinc/00/92/59/476009259.db2.gz NJCQUGLZUCGIAV-UKRRQHHQSA-N 1 0 329.404 2.884 20 5 EFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343388457 476010595 /nfs/dbraw/zinc/01/05/95/476010595.db2.gz QHWLIFGXEVMVES-MRXNPFEDSA-N 1 0 335.404 2.718 20 5 EFBDRO CN(C)C(=O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000340408535 476016079 /nfs/dbraw/zinc/01/60/79/476016079.db2.gz JOODRUMBRZZZNA-UHFFFAOYSA-N 1 0 347.346 2.704 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1SC ZINC000298221380 476022855 /nfs/dbraw/zinc/02/28/55/476022855.db2.gz AKYYTSIHGBSBGK-BPLDGKMQSA-N 1 0 326.418 2.602 20 5 EFBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343399379 476026887 /nfs/dbraw/zinc/02/68/87/476026887.db2.gz VELRRAVSHXZSTF-RHSMWYFYSA-N 1 0 329.356 2.618 20 5 EFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000298245248 476032995 /nfs/dbraw/zinc/03/29/95/476032995.db2.gz SRKQGDVXVJKDPX-QGZVFWFLSA-N 1 0 343.383 2.589 20 5 EFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000340448310 476041316 /nfs/dbraw/zinc/04/13/16/476041316.db2.gz KSHMFCQYSJNGPV-NWDGAFQWSA-N 1 0 344.371 2.763 20 5 EFBDRO CCn1ncnc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000355578750 476041733 /nfs/dbraw/zinc/04/17/33/476041733.db2.gz FVQWBMFSDUJFPI-UKRRQHHQSA-N 1 0 329.404 2.707 20 5 EFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000350114211 476052259 /nfs/dbraw/zinc/05/22/59/476052259.db2.gz KFJFFVAUTNAESC-UHFFFAOYSA-N 1 0 332.379 2.885 20 5 EFBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000343425355 476053424 /nfs/dbraw/zinc/05/34/24/476053424.db2.gz YQCZJEDZQSTKNN-NOZJJQNGSA-N 1 0 345.321 2.826 20 5 EFBDRO CSc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000298379457 476073810 /nfs/dbraw/zinc/07/38/10/476073810.db2.gz HPHQYFSLLOALMP-UHFFFAOYSA-N 1 0 325.434 2.777 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000333974870 476076633 /nfs/dbraw/zinc/07/66/33/476076633.db2.gz WPPSUFINPDHDLA-CABCVRRESA-N 1 0 348.447 2.995 20 5 EFBDRO C[NH+](C)CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000350174509 476079713 /nfs/dbraw/zinc/07/97/13/476079713.db2.gz BTIKJNVHOWEZIV-UHFFFAOYSA-N 1 0 343.374 2.970 20 5 EFBDRO CC(C)CN(CC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000340540916 476096783 /nfs/dbraw/zinc/09/67/83/476096783.db2.gz YTDNACNZFGDSGV-UHFFFAOYSA-N 1 0 339.461 2.733 20 5 EFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000298450891 476097671 /nfs/dbraw/zinc/09/76/71/476097671.db2.gz RABWNJBIBRZNHQ-KRWDZBQOSA-N 1 0 349.431 2.700 20 5 EFBDRO COc1cccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000362249638 476111323 /nfs/dbraw/zinc/11/13/23/476111323.db2.gz KEQFSFJVUWCKII-UHFFFAOYSA-N 1 0 349.431 2.796 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000340573723 476115565 /nfs/dbraw/zinc/11/55/65/476115565.db2.gz MTFJCZTXIFVUSB-IRXDYDNUSA-N 1 0 341.411 2.951 20 5 EFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000356789301 476129165 /nfs/dbraw/zinc/12/91/65/476129165.db2.gz XKEUKHAIEQJYHL-LBPRGKRZSA-N 1 0 339.411 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(F)c1 ZINC000350311732 476129181 /nfs/dbraw/zinc/12/91/81/476129181.db2.gz KCRIGXBFNJGKDO-WFASDCNBSA-N 1 0 326.393 2.878 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2nccs2)n1 ZINC000353630652 476138988 /nfs/dbraw/zinc/13/89/88/476138988.db2.gz NAULLDVXHDZDAZ-CHWSQXEVSA-N 1 0 335.433 2.954 20 5 EFBDRO CN(C)c1cccnc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353633052 476141414 /nfs/dbraw/zinc/14/14/14/476141414.db2.gz VRXOPMJQQRLXPI-CZUORRHYSA-N 1 0 344.419 2.526 20 5 EFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000359058351 476152367 /nfs/dbraw/zinc/15/23/67/476152367.db2.gz CXGGINVHHNBKNQ-ZDUSSCGKSA-N 1 0 349.456 2.820 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000336875268 476159859 /nfs/dbraw/zinc/15/98/59/476159859.db2.gz DFWYUFDFLTVLOU-UHFFFAOYSA-N 1 0 328.294 2.686 20 5 EFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000336881008 476170741 /nfs/dbraw/zinc/17/07/41/476170741.db2.gz RRXWDBUCYNGOKG-UHFFFAOYSA-N 1 0 336.436 2.831 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000357031885 476174533 /nfs/dbraw/zinc/17/45/33/476174533.db2.gz CTZDTNLJNQNNQG-ZIAGYGMSSA-N 1 0 344.415 2.817 20 5 EFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000347225932 476185121 /nfs/dbraw/zinc/18/51/21/476185121.db2.gz CIQUFMLZHJHPNF-UHFFFAOYSA-N 1 0 325.434 2.778 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000357053503 476190720 /nfs/dbraw/zinc/19/07/20/476190720.db2.gz OXPKQIPCCQIHAR-HUUCEWRRSA-N 1 0 327.384 2.896 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000338796275 476193588 /nfs/dbraw/zinc/19/35/88/476193588.db2.gz FZLTYVHMUBWPOL-OAHLLOKOSA-N 1 0 345.374 2.565 20 5 EFBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000350485402 476207461 /nfs/dbraw/zinc/20/74/61/476207461.db2.gz WKVKJVIWNGTZOC-HZPDHXFCSA-N 1 0 349.431 2.695 20 5 EFBDRO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000362385025 476211443 /nfs/dbraw/zinc/21/14/43/476211443.db2.gz QIKUVHGYXHTJFQ-GOSISDBHSA-N 1 0 331.416 2.996 20 5 EFBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000340705984 476221346 /nfs/dbraw/zinc/22/13/46/476221346.db2.gz QZRJXMOWPSFYCR-QGZVFWFLSA-N 1 0 339.395 2.989 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(OC)CCOC1 ZINC000359408152 476231236 /nfs/dbraw/zinc/23/12/36/476231236.db2.gz CJELTYQCUJGXTP-XJKSGUPXSA-N 1 0 340.445 2.861 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347286897 476231761 /nfs/dbraw/zinc/23/17/61/476231761.db2.gz OXTRWWXZIXZTCF-CQSZACIVSA-N 1 0 338.383 2.976 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)cs1 ZINC000344323196 476250570 /nfs/dbraw/zinc/25/05/70/476250570.db2.gz ZFMAMBPDWOEPPW-OCCSQVGLSA-N 1 0 342.367 2.983 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353758771 476251622 /nfs/dbraw/zinc/25/16/22/476251622.db2.gz NEMLCLRYFUMEGT-JSGCOSHPSA-N 1 0 336.388 2.815 20 5 EFBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000347313912 476252451 /nfs/dbraw/zinc/25/24/51/476252451.db2.gz DQTZULPAONJTGI-XJKSGUPXSA-N 1 0 330.344 2.571 20 5 EFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344325490 476253568 /nfs/dbraw/zinc/25/35/68/476253568.db2.gz MNBRSAOVEMRGIK-AWEZNQCLSA-N 1 0 340.445 2.775 20 5 EFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000359769611 476263389 /nfs/dbraw/zinc/26/33/89/476263389.db2.gz XUWQBTXYABQSQK-GFCCVEGCSA-N 1 0 325.384 2.513 20 5 EFBDRO COc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000360391159 476301332 /nfs/dbraw/zinc/30/13/32/476301332.db2.gz CPHBJRWGSYCDQR-UHFFFAOYSA-N 1 0 348.403 2.696 20 5 EFBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)n1C ZINC000350930924 476315379 /nfs/dbraw/zinc/31/53/79/476315379.db2.gz UKTIMXPBUVNGAL-AEJSXWLSSA-N 1 0 334.380 2.621 20 5 EFBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[NH+]3[C@H](C)CC[C@H]3C)n2)n1C ZINC000350930925 476315660 /nfs/dbraw/zinc/31/56/60/476315660.db2.gz UKTIMXPBUVNGAL-BBBLOLIVSA-N 1 0 334.380 2.621 20 5 EFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353978484 476344694 /nfs/dbraw/zinc/34/46/94/476344694.db2.gz LJECUCBTDKYJSI-FRFSOERESA-N 1 0 344.415 2.680 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000357377121 476350606 /nfs/dbraw/zinc/35/06/06/476350606.db2.gz ORBZBEBHXUCAGH-UHFFFAOYSA-N 1 0 333.432 2.895 20 5 EFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000353995872 476352004 /nfs/dbraw/zinc/35/20/04/476352004.db2.gz HZZMLFKXFFREFN-LLVKDONJSA-N 1 0 333.413 2.976 20 5 EFBDRO COc1cc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362721755 476367203 /nfs/dbraw/zinc/36/72/03/476367203.db2.gz CGGBCJIQMKYUQM-OAHLLOKOSA-N 1 0 341.367 2.520 20 5 EFBDRO O=C(Nc1cccc2nccn21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357435636 476382189 /nfs/dbraw/zinc/38/21/89/476382189.db2.gz HZMZCMHVNWCXKQ-UHFFFAOYSA-N 1 0 348.322 2.681 20 5 EFBDRO C[NH+](C)CC1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCC1 ZINC000354082746 476413852 /nfs/dbraw/zinc/41/38/52/476413852.db2.gz KDCXHPYWIDYDPY-UHFFFAOYSA-N 1 0 344.415 2.928 20 5 EFBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357522878 476430859 /nfs/dbraw/zinc/43/08/59/476430859.db2.gz KNGNMWSAXLJTEY-KGLIPLIRSA-N 1 0 335.404 2.731 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000362829792 476430787 /nfs/dbraw/zinc/43/07/87/476430787.db2.gz YHSMGZWPQYGYPK-RYUDHWBXSA-N 1 0 337.445 2.871 20 5 EFBDRO CC(C)[C@H]1CN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362850379 476439467 /nfs/dbraw/zinc/43/94/67/476439467.db2.gz BAMMIEHMSLXKBA-CZUORRHYSA-N 1 0 334.420 2.637 20 5 EFBDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000373941416 476442611 /nfs/dbraw/zinc/44/26/11/476442611.db2.gz MIQCUSACTVTCSH-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO CSC1(CNc2nc3ccccc3cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357557679 476453596 /nfs/dbraw/zinc/45/35/96/476453596.db2.gz INXQBZKEFPUQEU-UHFFFAOYSA-N 1 0 346.456 2.804 20 5 EFBDRO CNc1c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000360918192 476476769 /nfs/dbraw/zinc/47/67/69/476476769.db2.gz IVWTUEFXMJZYTN-ZDUSSCGKSA-N 1 0 334.420 2.631 20 5 EFBDRO CSc1cccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000362927178 476486388 /nfs/dbraw/zinc/48/63/88/476486388.db2.gz GVNHLQYPLBSSDC-GWCFXTLKSA-N 1 0 335.429 2.529 20 5 EFBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362930007 476487087 /nfs/dbraw/zinc/48/70/87/476487087.db2.gz IWJITLZBQAJHQS-UHFFFAOYSA-N 1 0 339.395 2.855 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000363670298 476487218 /nfs/dbraw/zinc/48/72/18/476487218.db2.gz JDWPRIAINZGBHF-LEWSCRJBSA-N 1 0 335.429 2.516 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362946913 476496164 /nfs/dbraw/zinc/49/61/64/476496164.db2.gz DKKMQGLOFUDXJI-OLZOCXBDSA-N 1 0 337.807 2.534 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000369767652 476514850 /nfs/dbraw/zinc/51/48/50/476514850.db2.gz UDQCDCBTZFPQFW-HNNXBMFYSA-N 1 0 349.456 2.921 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000369772664 476518098 /nfs/dbraw/zinc/51/80/98/476518098.db2.gz LZIXSAPMHDYOBA-MSOLQXFVSA-N 1 0 339.395 2.731 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000374783526 476527922 /nfs/dbraw/zinc/52/79/22/476527922.db2.gz QYTUAEXRZYVBLS-CQSZACIVSA-N 1 0 343.387 2.656 20 5 EFBDRO O=C1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2(CCC2)N1 ZINC000374808885 476537928 /nfs/dbraw/zinc/53/79/28/476537928.db2.gz OJJVLKBOUMERQX-JKSUJKDBSA-N 1 0 329.400 2.763 20 5 EFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374814987 476540403 /nfs/dbraw/zinc/54/04/03/476540403.db2.gz BMPQUGORPIEGOD-CQSZACIVSA-N 1 0 343.387 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000377733506 476552042 /nfs/dbraw/zinc/55/20/42/476552042.db2.gz XCUKZIVRZKYPSO-CQSZACIVSA-N 1 0 336.779 2.771 20 5 EFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000361079373 476585288 /nfs/dbraw/zinc/58/52/88/476585288.db2.gz KWSAONPFUWGBAB-UHFFFAOYSA-N 1 0 326.400 2.809 20 5 EFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC2(CC2)C1 ZINC000352278727 476605462 /nfs/dbraw/zinc/60/54/62/476605462.db2.gz DVBKQIDQJRPLRO-UHFFFAOYSA-N 1 0 331.372 2.769 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cncc(F)c1 ZINC000361119703 476615636 /nfs/dbraw/zinc/61/56/36/476615636.db2.gz LVFAGOWIMOKXSO-MEDUHNTESA-N 1 0 344.346 2.585 20 5 EFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000354383864 476625792 /nfs/dbraw/zinc/62/57/92/476625792.db2.gz GZUWLICUZJLWKQ-WBMJQRKESA-N 1 0 330.388 2.653 20 5 EFBDRO Cn1cc(C[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013125 476632116 /nfs/dbraw/zinc/63/21/16/476632116.db2.gz WFUDBKIEMRNSHJ-OAHLLOKOSA-N 1 0 344.415 2.662 20 5 EFBDRO Cn1c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000354405562 476642638 /nfs/dbraw/zinc/64/26/38/476642638.db2.gz AUNKDXLKWNUHIA-UHFFFAOYSA-N 1 0 342.399 2.824 20 5 EFBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000365620639 476650450 /nfs/dbraw/zinc/65/04/50/476650450.db2.gz CULPFLBTAXELHS-AWEZNQCLSA-N 1 0 330.388 2.587 20 5 EFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363328246 476653853 /nfs/dbraw/zinc/65/38/53/476653853.db2.gz DXXFSGHFUMXUFM-NWDGAFQWSA-N 1 0 338.795 2.997 20 5 EFBDRO CCCC[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000354428808 476656976 /nfs/dbraw/zinc/65/69/76/476656976.db2.gz QBTDYWSUYHHDDE-UHFFFAOYSA-N 1 0 331.214 2.896 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000375110953 476680078 /nfs/dbraw/zinc/68/00/78/476680078.db2.gz APOQOPMENLLRSS-CYBMUJFWSA-N 1 0 346.387 2.893 20 5 EFBDRO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000456685077 476689212 /nfs/dbraw/zinc/68/92/12/476689212.db2.gz PZHBKEKOBUDLNP-LBPRGKRZSA-N 1 0 349.406 2.971 20 5 EFBDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000441519768 476692891 /nfs/dbraw/zinc/69/28/91/476692891.db2.gz VRUGNPOVGQASTE-SFHVURJKSA-N 1 0 346.431 2.619 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000429864769 476706598 /nfs/dbraw/zinc/70/65/98/476706598.db2.gz WTEDJRVWUCIJBS-KBPBESRZSA-N 1 0 331.416 2.615 20 5 EFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000365804877 476707984 /nfs/dbraw/zinc/70/79/84/476707984.db2.gz HGMNVZNZMMEUOT-LSDHHAIUSA-N 1 0 343.431 2.956 20 5 EFBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000429873095 476708114 /nfs/dbraw/zinc/70/81/14/476708114.db2.gz ZMTNTHJDLVGOGT-GOEBONIOSA-N 1 0 331.416 2.615 20 5 EFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000365804874 476709229 /nfs/dbraw/zinc/70/92/29/476709229.db2.gz HGMNVZNZMMEUOT-CABCVRRESA-N 1 0 343.431 2.956 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000413739376 476714364 /nfs/dbraw/zinc/71/43/64/476714364.db2.gz ZGBFLKMUINALNF-ZDUSSCGKSA-N 1 0 347.415 2.762 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000422630121 476722847 /nfs/dbraw/zinc/72/28/47/476722847.db2.gz HJATVUZQDXTRLL-JTQLQIEISA-N 1 0 346.412 2.736 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000429972726 476727182 /nfs/dbraw/zinc/72/71/82/476727182.db2.gz MIGDFPWYVDPSPQ-HUUCEWRRSA-N 1 0 335.404 2.517 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@](O)(C4CC4)C3)co2)cc1 ZINC000365852956 476734686 /nfs/dbraw/zinc/73/46/86/476734686.db2.gz BGGYFNLMIVLPSI-QGZVFWFLSA-N 1 0 329.356 2.597 20 5 EFBDRO CN(C(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451959505 476745696 /nfs/dbraw/zinc/74/56/96/476745696.db2.gz AZVUKLWTBBXLSP-KRWDZBQOSA-N 1 0 349.456 2.777 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413866752 476770240 /nfs/dbraw/zinc/77/02/40/476770240.db2.gz USLONZGEADAXBF-JKSUJKDBSA-N 1 0 331.416 2.689 20 5 EFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430206582 476780381 /nfs/dbraw/zinc/78/03/81/476780381.db2.gz WYRZYOOBIIMGEE-AWEZNQCLSA-N 1 0 349.431 2.732 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)CC1 ZINC000370386138 476783900 /nfs/dbraw/zinc/78/39/00/476783900.db2.gz DKHSHUUWLPSKDW-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452035243 476784700 /nfs/dbraw/zinc/78/47/00/476784700.db2.gz NPYGEZJKCPDKLV-HZPDHXFCSA-N 1 0 335.404 2.779 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000430225920 476785998 /nfs/dbraw/zinc/78/59/98/476785998.db2.gz ZMCLELRZVHLEBP-OAHLLOKOSA-N 1 0 335.404 2.517 20 5 EFBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452047337 476794496 /nfs/dbraw/zinc/79/44/96/476794496.db2.gz ZUHWGONAQZUYRU-HNNXBMFYSA-N 1 0 335.404 2.733 20 5 EFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000457024535 476835032 /nfs/dbraw/zinc/83/50/32/476835032.db2.gz HDMDXJQBDKKOLC-UHFFFAOYSA-N 1 0 337.445 2.678 20 5 EFBDRO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430466268 476837758 /nfs/dbraw/zinc/83/77/58/476837758.db2.gz SPTWAUKCCYSLCI-UHFFFAOYSA-N 1 0 349.416 2.680 20 5 EFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452121163 476840192 /nfs/dbraw/zinc/84/01/92/476840192.db2.gz GJDOBRIQPVVLNL-CHWSQXEVSA-N 1 0 346.387 2.800 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000457049957 476847316 /nfs/dbraw/zinc/84/73/16/476847316.db2.gz GFJNYDRLLXVJBN-UHFFFAOYSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366071443 476847446 /nfs/dbraw/zinc/84/74/46/476847446.db2.gz FNYURUBBXNEHDS-QGZVFWFLSA-N 1 0 330.388 2.853 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000446235376 476849521 /nfs/dbraw/zinc/84/95/21/476849521.db2.gz RXTKDLREIRQXGM-HNNXBMFYSA-N 1 0 331.416 2.707 20 5 EFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949118 476860958 /nfs/dbraw/zinc/86/09/58/476860958.db2.gz SWBRSXSVCVNUJG-VQIMIIECSA-N 1 0 339.395 2.940 20 5 EFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000457078104 476861519 /nfs/dbraw/zinc/86/15/19/476861519.db2.gz QDBDNUWURPQBQZ-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000457080899 476864515 /nfs/dbraw/zinc/86/45/15/476864515.db2.gz CPWVNQOJUHNGKJ-LLVKDONJSA-N 1 0 325.796 2.803 20 5 EFBDRO CSc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457083670 476865100 /nfs/dbraw/zinc/86/51/00/476865100.db2.gz GBOBPRQXFGCDJE-LBPRGKRZSA-N 1 0 337.445 2.871 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430578744 476866327 /nfs/dbraw/zinc/86/63/27/476866327.db2.gz BHYVNLMYTUMCJV-KBPBESRZSA-N 1 0 336.436 2.535 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457096610 476872818 /nfs/dbraw/zinc/87/28/18/476872818.db2.gz RAXDLLGTTCJGDC-OCCSQVGLSA-N 1 0 337.395 2.779 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCCO)C1CC1 ZINC000404225247 476913149 /nfs/dbraw/zinc/91/31/49/476913149.db2.gz BBLWEIIUMXZHCW-UHFFFAOYSA-N 1 0 329.194 2.704 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430626205 476883155 /nfs/dbraw/zinc/88/31/55/476883155.db2.gz LOKMBNLFFGBKAH-XJKSGUPXSA-N 1 0 344.415 2.994 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000430624187 476883332 /nfs/dbraw/zinc/88/33/32/476883332.db2.gz IOQHZZBDWNUCTL-AWEZNQCLSA-N 1 0 337.445 2.825 20 5 EFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C2(CCCCC2)C1 ZINC000400623275 476893947 /nfs/dbraw/zinc/89/39/47/476893947.db2.gz LSCICDUUHKOMOZ-UHFFFAOYSA-N 1 0 337.807 2.997 20 5 EFBDRO C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000414947074 476895913 /nfs/dbraw/zinc/89/59/13/476895913.db2.gz KJJWGODSZODPPM-YPMHNXCESA-N 1 0 332.429 2.948 20 5 EFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000430726783 476908115 /nfs/dbraw/zinc/90/81/15/476908115.db2.gz WSQNNTAJJHMJRN-MRXNPFEDSA-N 1 0 346.431 2.677 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000415429213 476925190 /nfs/dbraw/zinc/92/51/90/476925190.db2.gz AXLSQKPKLJHGCA-IUCAKERBSA-N 1 0 346.309 2.828 20 5 EFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000452344788 476925210 /nfs/dbraw/zinc/92/52/10/476925210.db2.gz PLZKGABEKVMXQX-ZDUSSCGKSA-N 1 0 325.434 2.897 20 5 EFBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415435408 476928444 /nfs/dbraw/zinc/92/84/44/476928444.db2.gz IKGICVGGRHXGIE-QMMMGPOBSA-N 1 0 334.298 2.863 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415502779 476930931 /nfs/dbraw/zinc/93/09/31/476930931.db2.gz NWVDGOHATAVBCQ-ZIAGYGMSSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415502777 476931075 /nfs/dbraw/zinc/93/10/75/476931075.db2.gz NWVDGOHATAVBCQ-KGLIPLIRSA-N 1 0 332.404 2.757 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415510741 476933635 /nfs/dbraw/zinc/93/36/35/476933635.db2.gz ZKTLYOSBEVHRAT-JKSUJKDBSA-N 1 0 340.383 2.862 20 5 EFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]Cc2ccccc21 ZINC000430928772 476938139 /nfs/dbraw/zinc/93/81/39/476938139.db2.gz MIIQTZNEWZOPJR-ZDUSSCGKSA-N 1 0 340.383 2.532 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415589126 476943098 /nfs/dbraw/zinc/94/30/98/476943098.db2.gz YOPVOUHKICJZIM-DZGCQCFKSA-N 1 0 332.404 2.721 20 5 EFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000447094615 476953244 /nfs/dbraw/zinc/95/32/44/476953244.db2.gz UBPDRNAZHHJIQB-SFHVURJKSA-N 1 0 346.358 2.954 20 5 EFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000375725041 476973208 /nfs/dbraw/zinc/97/32/08/476973208.db2.gz NZXZBTXULBAORQ-OAHLLOKOSA-N 1 0 334.376 2.563 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262595 476979400 /nfs/dbraw/zinc/97/94/00/476979400.db2.gz MVCBVYMADURQQF-GUYCJALGSA-N 1 0 348.447 2.809 20 5 EFBDRO CCC([NH3+])(CC)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423290641 476983743 /nfs/dbraw/zinc/98/37/43/476983743.db2.gz DWFNIPVRXADDPD-HNNXBMFYSA-N 1 0 331.420 2.525 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cn3ccccc3n2)n1 ZINC000447505801 477000383 /nfs/dbraw/zinc/00/03/83/477000383.db2.gz ASTWWXZHNQOIPZ-HUUCEWRRSA-N 1 0 340.387 2.713 20 5 EFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000447537910 477007761 /nfs/dbraw/zinc/00/77/61/477007761.db2.gz ZJUHQFWEIROTJK-NCOADZHNSA-N 1 0 349.479 2.985 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457436237 477019657 /nfs/dbraw/zinc/01/96/57/477019657.db2.gz IJJZSSZTWJJELR-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCN2C2CC2)n1 ZINC000447591438 477019977 /nfs/dbraw/zinc/01/99/77/477019977.db2.gz ICXRBCWQABBTNP-GVDBMIGSSA-N 1 0 347.463 2.882 20 5 EFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000410592849 477026017 /nfs/dbraw/zinc/02/60/17/477026017.db2.gz QEPUWUUMYRREPY-HOCLYGCPSA-N 1 0 345.443 2.815 20 5 EFBDRO C[C@@H](CCCC[NH3+])N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423420901 477028180 /nfs/dbraw/zinc/02/81/80/477028180.db2.gz BWAWZHMTGZPBJU-BBRMVZONSA-N 1 0 331.420 2.525 20 5 EFBDRO Cc1cc(OCC(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000431470605 477034832 /nfs/dbraw/zinc/03/48/32/477034832.db2.gz MAPFFAHQHHADNY-UHFFFAOYSA-N 1 0 349.431 2.663 20 5 EFBDRO Cc1cc(OCC(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431470586 477035456 /nfs/dbraw/zinc/03/54/56/477035456.db2.gz LXICJHAFALYQRS-UHFFFAOYSA-N 1 0 349.431 2.664 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423519899 477059313 /nfs/dbraw/zinc/05/93/13/477059313.db2.gz JRGBBDCEXFCUAP-INIZCTEOSA-N 1 0 337.445 2.826 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423533934 477067674 /nfs/dbraw/zinc/06/76/74/477067674.db2.gz UUBULUSZTHKXEL-NXEZZACHSA-N 1 0 343.836 2.536 20 5 EFBDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000431666436 477071929 /nfs/dbraw/zinc/07/19/29/477071929.db2.gz TYLBXHPCNIQZGL-GXTWGEPZSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000375913367 477079256 /nfs/dbraw/zinc/07/92/56/477079256.db2.gz UVPZLJMMQJBPKY-UBULPXNDSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423608511 477084637 /nfs/dbraw/zinc/08/46/37/477084637.db2.gz JYRPFCUWKMHNDS-AWEZNQCLSA-N 1 0 343.836 2.538 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423620598 477089952 /nfs/dbraw/zinc/08/99/52/477089952.db2.gz WVGIRMMHFCNCCA-GFCCVEGCSA-N 1 0 337.445 2.908 20 5 EFBDRO CCNc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000411068717 477104358 /nfs/dbraw/zinc/10/43/58/477104358.db2.gz XUULXCMASFMFRB-CQSZACIVSA-N 1 0 334.420 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)s2)cc1 ZINC000447974066 477107620 /nfs/dbraw/zinc/10/76/20/477107620.db2.gz WGIZCLJLZBLSAI-HOTGVXAUSA-N 1 0 348.424 2.953 20 5 EFBDRO CSc1cccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000411088889 477109955 /nfs/dbraw/zinc/10/99/55/477109955.db2.gz VPRKUKJSADMKAZ-UHFFFAOYSA-N 1 0 337.445 2.921 20 5 EFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423719875 477122334 /nfs/dbraw/zinc/12/23/34/477122334.db2.gz NIEQANWPLXOAHV-NEPJUHHUSA-N 1 0 337.807 2.710 20 5 EFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723132 477123338 /nfs/dbraw/zinc/12/33/38/477123338.db2.gz LDCKPRGPAUCCBK-CJNGLKHVSA-N 1 0 331.416 2.993 20 5 EFBDRO CCNc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448056826 477124136 /nfs/dbraw/zinc/12/41/36/477124136.db2.gz RTZPKHODHHAATF-MRXNPFEDSA-N 1 0 348.447 2.877 20 5 EFBDRO [NH3+]CC1(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423729700 477124915 /nfs/dbraw/zinc/12/49/15/477124915.db2.gz VDKPGIDASITRSE-UHFFFAOYSA-N 1 0 331.376 2.709 20 5 EFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448205021 477144023 /nfs/dbraw/zinc/14/40/23/477144023.db2.gz QAJHBMLSJBNYRR-SJKOYZFVSA-N 1 0 347.390 2.823 20 5 EFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000371138953 477145670 /nfs/dbraw/zinc/14/56/70/477145670.db2.gz ILGFISRGMZEQIW-LLVKDONJSA-N 1 0 338.314 2.566 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376106544 477178190 /nfs/dbraw/zinc/17/81/90/477178190.db2.gz JWDSVDZJLPCDDC-QWHCGFSZSA-N 1 0 333.388 2.729 20 5 EFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411290569 477184003 /nfs/dbraw/zinc/18/40/03/477184003.db2.gz JADOPBLZKSZSDT-HZPDHXFCSA-N 1 0 335.404 2.549 20 5 EFBDRO COc1nccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453245588 477197869 /nfs/dbraw/zinc/19/78/69/477197869.db2.gz IEZZYQFYVYUDGX-OAHLLOKOSA-N 1 0 328.372 2.504 20 5 EFBDRO CCC[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448593833 477206477 /nfs/dbraw/zinc/20/64/77/477206477.db2.gz FWYZSEVNOVWDJP-UHFFFAOYSA-N 1 0 347.415 2.548 20 5 EFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453360599 477214583 /nfs/dbraw/zinc/21/45/83/477214583.db2.gz KLOBWGPQAJAUPV-RWMBFGLXSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453374437 477215809 /nfs/dbraw/zinc/21/58/09/477215809.db2.gz ZIPOXGMQMZLSMI-JDFRZJQESA-N 1 0 330.388 2.899 20 5 EFBDRO CC(C)Oc1cc(C(=O)NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000411390104 477216387 /nfs/dbraw/zinc/21/63/87/477216387.db2.gz PIBORQLSOYHKPU-UHFFFAOYSA-N 1 0 337.420 2.842 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453394869 477221501 /nfs/dbraw/zinc/22/15/01/477221501.db2.gz JGNTWSYBPIWRLA-JGGQBBKZSA-N 1 0 330.388 2.899 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423941756 477226148 /nfs/dbraw/zinc/22/61/48/477226148.db2.gz PGDUDUGGEAOZJR-XHDPSFHLSA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411414420 477226494 /nfs/dbraw/zinc/22/64/94/477226494.db2.gz MANJFIJCKGTTNI-RRQGHBQHSA-N 1 0 331.416 2.546 20 5 EFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423949748 477231310 /nfs/dbraw/zinc/23/13/10/477231310.db2.gz NARKEZKZFJBBJD-LBPRGKRZSA-N 1 0 343.836 2.536 20 5 EFBDRO COc1cc(C[NH2+]CCOCC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000453586615 477243173 /nfs/dbraw/zinc/24/31/73/477243173.db2.gz QBFSVWGNXPBOEO-UHFFFAOYSA-N 1 0 338.404 2.908 20 5 EFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000423983319 477246080 /nfs/dbraw/zinc/24/60/80/477246080.db2.gz SUVLHCBAAMUECU-INIZCTEOSA-N 1 0 327.384 2.895 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453608896 477249547 /nfs/dbraw/zinc/24/95/47/477249547.db2.gz IVUQZRDALORBHF-ZDUSSCGKSA-N 1 0 328.372 2.723 20 5 EFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000453611086 477252291 /nfs/dbraw/zinc/25/22/91/477252291.db2.gz YZLNVVSLHKHIRW-UHFFFAOYSA-N 1 0 331.372 2.859 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424011062 477259392 /nfs/dbraw/zinc/25/93/92/477259392.db2.gz YPINLJGMCUYENM-GOSISDBHSA-N 1 0 339.395 2.701 20 5 EFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424024595 477264740 /nfs/dbraw/zinc/26/47/40/477264740.db2.gz WFKQJJUJWAUPAD-TZMCWYRMSA-N 1 0 333.432 2.949 20 5 EFBDRO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424024593 477265582 /nfs/dbraw/zinc/26/55/82/477265582.db2.gz WFKQJJUJWAUPAD-JSGCOSHPSA-N 1 0 333.432 2.949 20 5 EFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000448745191 477271559 /nfs/dbraw/zinc/27/15/59/477271559.db2.gz DMAIIOSNWYBDKJ-CYBMUJFWSA-N 1 0 345.321 2.684 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424061014 477277894 /nfs/dbraw/zinc/27/78/94/477277894.db2.gz XHCAYUHHJUIKOB-KFWWJZLASA-N 1 0 348.447 2.619 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000376324786 477284814 /nfs/dbraw/zinc/28/48/14/477284814.db2.gz NQFGINFGZQPHEQ-CQSZACIVSA-N 1 0 325.796 2.739 20 5 EFBDRO CC(C)[N@H+](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454458690 477289774 /nfs/dbraw/zinc/28/97/74/477289774.db2.gz DFHRBYSSYMPQMY-INIZCTEOSA-N 1 0 348.447 2.824 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433043803 477305505 /nfs/dbraw/zinc/30/55/05/477305505.db2.gz GIMKHXKZQRLWIF-KRWDZBQOSA-N 1 0 330.384 2.639 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433043804 477305763 /nfs/dbraw/zinc/30/57/63/477305763.db2.gz GIMKHXKZQRLWIF-QGZVFWFLSA-N 1 0 330.384 2.639 20 5 EFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000376403511 477317593 /nfs/dbraw/zinc/31/75/93/477317593.db2.gz OBCVDDZPQXOURJ-OAHLLOKOSA-N 1 0 331.416 2.966 20 5 EFBDRO C[NH+]1CCC2(CCCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000376418630 477325793 /nfs/dbraw/zinc/32/57/93/477325793.db2.gz CVZFRHHBVPOPKJ-UHFFFAOYSA-N 1 0 347.444 2.912 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)CSc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424226265 477334633 /nfs/dbraw/zinc/33/46/33/477334633.db2.gz RIYSGCHXVVEUBC-CYBMUJFWSA-N 1 0 349.456 2.678 20 5 EFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000411699595 477334991 /nfs/dbraw/zinc/33/49/91/477334991.db2.gz WYAJKAZKNQPGIH-HZPDHXFCSA-N 1 0 347.415 2.955 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000376446140 477338430 /nfs/dbraw/zinc/33/84/30/477338430.db2.gz FJBUQZRCDIVYKY-XHDPSFHLSA-N 1 0 337.807 2.947 20 5 EFBDRO COc1ccnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000424307663 477364313 /nfs/dbraw/zinc/36/43/13/477364313.db2.gz MJNMGPFCSNYKBC-AWEZNQCLSA-N 1 0 328.372 2.504 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525912 477370668 /nfs/dbraw/zinc/37/06/68/477370668.db2.gz OWRSXCGAEVWGGE-SFHVURJKSA-N 1 0 330.359 2.870 20 5 EFBDRO COc1cc(F)cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449029590 477398890 /nfs/dbraw/zinc/39/88/90/477398890.db2.gz PBITXUGOVUOPAR-CQSZACIVSA-N 1 0 346.362 2.824 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000367218973 477400395 /nfs/dbraw/zinc/40/03/95/477400395.db2.gz LGLLBURONFXHNT-UONOGXRCSA-N 1 0 347.415 2.692 20 5 EFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412086847 477409303 /nfs/dbraw/zinc/40/93/03/477409303.db2.gz BQIKBZJLJLTPPW-YESZJQIVSA-N 1 0 331.416 2.689 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCCCC2 ZINC000449058490 477415218 /nfs/dbraw/zinc/41/52/18/477415218.db2.gz JQWGSFNSZCHDEN-CYBMUJFWSA-N 1 0 329.404 2.634 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367263146 477421737 /nfs/dbraw/zinc/42/17/37/477421737.db2.gz BTMSHZMASDRIDH-CYBMUJFWSA-N 1 0 325.796 2.913 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449073591 477422026 /nfs/dbraw/zinc/42/20/26/477422026.db2.gz SGUCXVLUDYKHCH-HRCADAONSA-N 1 0 335.448 2.615 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000449073593 477422376 /nfs/dbraw/zinc/42/23/76/477422376.db2.gz SGUCXVLUDYKHCH-PMPSAXMXSA-N 1 0 335.448 2.615 20 5 EFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376620864 477433024 /nfs/dbraw/zinc/43/30/24/477433024.db2.gz UCQVIORINUSERZ-GFCCVEGCSA-N 1 0 337.807 2.995 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1 ZINC000449097713 477437982 /nfs/dbraw/zinc/43/79/82/477437982.db2.gz FVDQFGMPLVBHLZ-CQSZACIVSA-N 1 0 327.384 2.545 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000449121861 477448784 /nfs/dbraw/zinc/44/87/84/477448784.db2.gz IXHWNFSYPZSJPK-PBHICJAKSA-N 1 0 339.395 2.921 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000436321917 477461457 /nfs/dbraw/zinc/46/14/57/477461457.db2.gz ZIKKHFREPJUVIL-UHFFFAOYSA-N 1 0 349.434 2.895 20 5 EFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413001376 477468258 /nfs/dbraw/zinc/46/82/58/477468258.db2.gz PJTLWNZZLNXJKB-HNNXBMFYSA-N 1 0 346.387 2.674 20 5 EFBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413032410 477478657 /nfs/dbraw/zinc/47/86/57/477478657.db2.gz ZQBFXULLKKFEGJ-AWEZNQCLSA-N 1 0 334.351 2.852 20 5 EFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000413039606 477482899 /nfs/dbraw/zinc/48/28/99/477482899.db2.gz HWAKNQYACCPJPZ-LBPRGKRZSA-N 1 0 330.363 2.988 20 5 EFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449202308 477484429 /nfs/dbraw/zinc/48/44/29/477484429.db2.gz JVJXPLHOFGZTCE-RYUDHWBXSA-N 1 0 337.807 2.710 20 5 EFBDRO CC(C)[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000413043820 477484567 /nfs/dbraw/zinc/48/45/67/477484567.db2.gz NTGMEWURXWSMDK-QGZVFWFLSA-N 1 0 344.415 2.912 20 5 EFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000449212449 477488928 /nfs/dbraw/zinc/48/89/28/477488928.db2.gz SOMJXZZIFUYHEB-CVEARBPZSA-N 1 0 331.416 2.619 20 5 EFBDRO COc1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000455094039 477496458 /nfs/dbraw/zinc/49/64/58/477496458.db2.gz DBWFSSXEMVPTPX-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000449235784 477498828 /nfs/dbraw/zinc/49/88/28/477498828.db2.gz HNZCNUIVEAXQRI-MRXNPFEDSA-N 1 0 340.445 2.927 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000413072391 477501576 /nfs/dbraw/zinc/50/15/76/477501576.db2.gz ONSDHEVZGLKVDF-UHFFFAOYSA-N 1 0 331.351 2.600 20 5 EFBDRO CCn1ccnc1[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455113702 477503527 /nfs/dbraw/zinc/50/35/27/477503527.db2.gz VIUHTHUFEHADFR-RYUDHWBXSA-N 1 0 331.376 2.933 20 5 EFBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413132772 477536454 /nfs/dbraw/zinc/53/64/54/477536454.db2.gz PANQDYYTQJSNHN-AWEZNQCLSA-N 1 0 344.415 2.690 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000449320561 477544770 /nfs/dbraw/zinc/54/47/70/477544770.db2.gz OLYWDIGNUOWNFC-DXCKQFNASA-N 1 0 333.432 2.809 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000413166669 477549560 /nfs/dbraw/zinc/54/95/60/477549560.db2.gz KKGHGENPYQNBDG-GJZGRUSLSA-N 1 0 347.415 2.739 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413173153 477554435 /nfs/dbraw/zinc/55/44/35/477554435.db2.gz CHHNNPBHCZUKSL-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449350561 477558312 /nfs/dbraw/zinc/55/83/12/477558312.db2.gz ZWZRVSXHRFPNPO-CYBMUJFWSA-N 1 0 335.404 2.861 20 5 EFBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449350562 477559031 /nfs/dbraw/zinc/55/90/31/477559031.db2.gz ZWZRVSXHRFPNPO-ZDUSSCGKSA-N 1 0 335.404 2.861 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413185615 477559176 /nfs/dbraw/zinc/55/91/76/477559176.db2.gz QRYRNIOIHDQIAK-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449750962 477572514 /nfs/dbraw/zinc/57/25/14/477572514.db2.gz KJYZTYNCOYERKG-ZDUSSCGKSA-N 1 0 346.412 2.589 20 5 EFBDRO Cc1cc(OCC(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000419901849 477583877 /nfs/dbraw/zinc/58/38/77/477583877.db2.gz USIRTNZHODXOJI-UHFFFAOYSA-N 1 0 349.431 2.711 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CCCCC1 ZINC000419923724 477589122 /nfs/dbraw/zinc/58/91/22/477589122.db2.gz QLWGQGRXJPAFNY-UHFFFAOYSA-N 1 0 333.432 2.956 20 5 EFBDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000367597112 477590630 /nfs/dbraw/zinc/59/06/30/477590630.db2.gz LZWMOBWGVFRYKV-UHFFFAOYSA-N 1 0 347.415 2.814 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000367605469 477597578 /nfs/dbraw/zinc/59/75/78/477597578.db2.gz DHBVVLDGISSSFV-GOSISDBHSA-N 1 0 346.358 2.836 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000372035246 477608929 /nfs/dbraw/zinc/60/89/29/477608929.db2.gz CFCUKEGXCPLWHW-OAHLLOKOSA-N 1 0 349.431 2.980 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000450542739 477626975 /nfs/dbraw/zinc/62/69/75/477626975.db2.gz VDCZKPLENQDBBR-ZJUUUORDSA-N 1 0 345.321 2.778 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000450544646 477627491 /nfs/dbraw/zinc/62/74/91/477627491.db2.gz QDXPABYBGKTOMY-TXEJJXNPSA-N 1 0 330.388 2.680 20 5 EFBDRO O=C(c1cc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420190211 477632982 /nfs/dbraw/zinc/63/29/82/477632982.db2.gz GXFWRRAGSCDQGY-CQSZACIVSA-N 1 0 346.431 2.632 20 5 EFBDRO Cc1cc(NCC[C@H]2CCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420213554 477638898 /nfs/dbraw/zinc/63/88/98/477638898.db2.gz UTADGPDOYUYOIV-CQSZACIVSA-N 1 0 341.415 2.584 20 5 EFBDRO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458886731 477642263 /nfs/dbraw/zinc/64/22/63/477642263.db2.gz HRYBDXLQOSPXPQ-ZDUSSCGKSA-N 1 0 334.420 2.639 20 5 EFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC000367703314 477644758 /nfs/dbraw/zinc/64/47/58/477644758.db2.gz FYYXTTVWSCHUBA-ZIAGYGMSSA-N 1 0 349.387 2.671 20 5 EFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450594836 477647645 /nfs/dbraw/zinc/64/76/45/477647645.db2.gz LEWMUWXRSYGCHA-GFCCVEGCSA-N 1 0 327.812 2.815 20 5 EFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(C(F)(F)F)c1 ZINC000450599580 477648928 /nfs/dbraw/zinc/64/89/28/477648928.db2.gz STWSTTOJHDXSJY-GFCCVEGCSA-N 1 0 347.337 2.872 20 5 EFBDRO CC[C@@H]([NH3+])CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420262614 477652013 /nfs/dbraw/zinc/65/20/13/477652013.db2.gz MSFDGMRVYPCYFQ-ZCFIWIBFSA-N 1 0 328.241 2.793 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420275308 477658488 /nfs/dbraw/zinc/65/84/88/477658488.db2.gz GSFFVXKBCVBMEU-NWDGAFQWSA-N 1 0 330.388 2.503 20 5 EFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420294792 477671000 /nfs/dbraw/zinc/67/10/00/477671000.db2.gz ZKTZSSMYWKFYFB-XOIHQXTHSA-N 1 0 330.310 2.936 20 5 EFBDRO C[C@@H]1COCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425422907 477683132 /nfs/dbraw/zinc/68/31/32/477683132.db2.gz PZOCFVALSNNVLY-JTQLQIEISA-N 1 0 329.194 2.826 20 5 EFBDRO COc1ccc([C@H](C[NH3+])CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000420326251 477697156 /nfs/dbraw/zinc/69/71/56/477697156.db2.gz XBRCCCKOCMVVJO-MRXNPFEDSA-N 1 0 329.400 2.778 20 5 EFBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000367803003 477697394 /nfs/dbraw/zinc/69/73/94/477697394.db2.gz QMXFIVQYEAYTDD-GTNSWQLSSA-N 1 0 345.355 2.511 20 5 EFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455604491 477700161 /nfs/dbraw/zinc/70/01/61/477700161.db2.gz GHEPDRRHUBAVAS-UHFFFAOYSA-N 1 0 348.447 2.653 20 5 EFBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000450776295 477712616 /nfs/dbraw/zinc/71/26/16/477712616.db2.gz HJOYEJNLSSYZNJ-YGRLFVJLSA-N 1 0 340.221 2.806 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000367844524 477716937 /nfs/dbraw/zinc/71/69/37/477716937.db2.gz XHOZGBCZQFYEKM-UHFFFAOYSA-N 1 0 347.415 2.754 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000450865580 477741077 /nfs/dbraw/zinc/74/10/77/477741077.db2.gz WZSUQAZQDDAALC-LBPRGKRZSA-N 1 0 331.376 2.565 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000450865578 477741092 /nfs/dbraw/zinc/74/10/92/477741092.db2.gz WZSUQAZQDDAALC-GFCCVEGCSA-N 1 0 331.376 2.565 20 5 EFBDRO [NH3+][C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420391714 477741981 /nfs/dbraw/zinc/74/19/81/477741981.db2.gz UBUQXHDXOHXJFA-FUHWJXTLSA-N 1 0 329.375 2.703 20 5 EFBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000372295653 477742302 /nfs/dbraw/zinc/74/23/02/477742302.db2.gz ABVDGIRLYLPEKB-HNNXBMFYSA-N 1 0 347.321 2.790 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000426839507 477750831 /nfs/dbraw/zinc/75/08/31/477750831.db2.gz CMUQWOYXCOKEGG-ZIAGYGMSSA-N 1 0 349.431 2.701 20 5 EFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000427244981 477769900 /nfs/dbraw/zinc/76/99/00/477769900.db2.gz XVEFITPIUAEDQH-UHFFFAOYSA-N 1 0 333.310 2.599 20 5 EFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427881902 477783725 /nfs/dbraw/zinc/78/37/25/477783725.db2.gz KJAIQKKBFHBWRZ-OCCSQVGLSA-N 1 0 330.388 2.856 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000456164909 477804184 /nfs/dbraw/zinc/80/41/84/477804184.db2.gz CXEUXRFDULQHLZ-UHFFFAOYSA-N 1 0 339.461 2.924 20 5 EFBDRO CC[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000493819330 477842060 /nfs/dbraw/zinc/84/20/60/477842060.db2.gz MQESFAODTAYTGG-OLZOCXBDSA-N 1 0 341.839 2.525 20 5 EFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000515619063 477845879 /nfs/dbraw/zinc/84/58/79/477845879.db2.gz ISLKSONXBWRESS-UHFFFAOYSA-N 1 0 334.420 2.645 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000515637600 477846964 /nfs/dbraw/zinc/84/69/64/477846964.db2.gz ATZKJENGDABMEG-QKPAOTATSA-N 1 0 334.416 2.893 20 5 EFBDRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000456334449 477866422 /nfs/dbraw/zinc/86/64/22/477866422.db2.gz VOMHRJBNXXDPNH-ODWCKFRGSA-N 1 0 335.379 2.579 20 5 EFBDRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000456334452 477867287 /nfs/dbraw/zinc/86/72/87/477867287.db2.gz VOMHRJBNXXDPNH-WODVXLOZSA-N 1 0 335.379 2.579 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515908082 477872651 /nfs/dbraw/zinc/87/26/51/477872651.db2.gz XIHNKOZROBHZIL-CZUORRHYSA-N 1 0 348.374 2.867 20 5 EFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000456350412 477878249 /nfs/dbraw/zinc/87/82/49/477878249.db2.gz WDGDHJNLXVVHDH-AWEZNQCLSA-N 1 0 342.399 2.517 20 5 EFBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965617 477888679 /nfs/dbraw/zinc/88/86/79/477888679.db2.gz YSCIKWSMLDYOAZ-PHIMTYICSA-N 1 0 329.322 2.920 20 5 EFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421001725 477889683 /nfs/dbraw/zinc/88/96/83/477889683.db2.gz LTMJRXZUTSGXLM-SWLSCSKDSA-N 1 0 345.403 2.732 20 5 EFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000438939131 477905766 /nfs/dbraw/zinc/90/57/66/477905766.db2.gz XJZUGNUVQHKDLE-JQWIXIFHSA-N 1 0 325.796 2.769 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000456395130 477910556 /nfs/dbraw/zinc/91/05/56/477910556.db2.gz ZMBRUIYIMLIXRR-CHWSQXEVSA-N 1 0 337.395 2.780 20 5 EFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000428501045 477914457 /nfs/dbraw/zinc/91/44/57/477914457.db2.gz STRAZFRKKZOTLI-ZDUSSCGKSA-N 1 0 337.420 2.844 20 5 EFBDRO CC(C)c1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000462786015 477919713 /nfs/dbraw/zinc/91/97/13/477919713.db2.gz VDXQTQOKCQYASV-UHFFFAOYSA-N 1 0 329.404 2.651 20 5 EFBDRO CC[N@H+](C)Cc1cccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC000439107989 477929780 /nfs/dbraw/zinc/92/97/80/477929780.db2.gz NJBRFZFIMDAUFS-UHFFFAOYSA-N 1 0 342.399 2.758 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439104385 477929875 /nfs/dbraw/zinc/92/98/75/477929875.db2.gz CBWGPIWDTKRKDF-UHFFFAOYSA-N 1 0 348.447 2.642 20 5 EFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532511328 477938185 /nfs/dbraw/zinc/93/81/85/477938185.db2.gz YKELHPYZNCKXOI-DCGLDWPTSA-N 1 0 337.420 2.699 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494232310 477946871 /nfs/dbraw/zinc/94/68/71/477946871.db2.gz ZJNRPWDHGVLYPG-UHFFFAOYSA-N 1 0 334.347 2.607 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000558984814 477948860 /nfs/dbraw/zinc/94/88/60/477948860.db2.gz GMETXASFPGDUOI-LLVKDONJSA-N 1 0 328.210 2.888 20 5 EFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000456524725 477964920 /nfs/dbraw/zinc/96/49/20/477964920.db2.gz GNDWQBKBFNCJJR-GFCCVEGCSA-N 1 0 330.388 2.632 20 5 EFBDRO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000516632378 477965957 /nfs/dbraw/zinc/96/59/57/477965957.db2.gz XWYGZRLOGIUCMF-SFHVURJKSA-N 1 0 344.411 2.817 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000456529010 477967214 /nfs/dbraw/zinc/96/72/14/477967214.db2.gz LLAPNJMMKVUWJK-LBPRGKRZSA-N 1 0 339.823 2.733 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000456540295 477974421 /nfs/dbraw/zinc/97/44/21/477974421.db2.gz ZCWYLCKNSZRIRC-NSHDSACASA-N 1 0 325.796 2.805 20 5 EFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCSC)c([N+](=O)[O-])c1 ZINC000439479660 477986489 /nfs/dbraw/zinc/98/64/89/477986489.db2.gz ANZDMWIQAZMWJT-LLVKDONJSA-N 1 0 341.433 2.615 20 5 EFBDRO CC[C@H]1CN(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000494480336 477994961 /nfs/dbraw/zinc/99/49/61/477994961.db2.gz ZDQLNDYCDUQFSX-RDJZCZTQSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439615283 478006466 /nfs/dbraw/zinc/00/64/66/478006466.db2.gz FOZQPVVRHAIWIT-SRMUXQRQSA-N 1 0 347.415 2.715 20 5 EFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439699682 478019522 /nfs/dbraw/zinc/01/95/22/478019522.db2.gz FHJMSYMSBPVTDC-OAHLLOKOSA-N 1 0 337.395 2.974 20 5 EFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000428999576 478029492 /nfs/dbraw/zinc/02/94/92/478029492.db2.gz VDSPKHHVCBKGDJ-IOASZLSFSA-N 1 0 344.415 2.898 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451474531 478036582 /nfs/dbraw/zinc/03/65/82/478036582.db2.gz APSGHPUYRSTOAL-IAOVAPTHSA-N 1 0 347.415 2.635 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429019946 478039737 /nfs/dbraw/zinc/03/97/37/478039737.db2.gz KNYIMBQHIQUSNC-JKIFEVAISA-N 1 0 333.432 2.766 20 5 EFBDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429027678 478041890 /nfs/dbraw/zinc/04/18/90/478041890.db2.gz KUWOTZWVMGLPLI-IJEWVQPXSA-N 1 0 333.432 2.766 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000439888675 478043667 /nfs/dbraw/zinc/04/36/67/478043667.db2.gz MHWFSRDMFZWLJS-LBPRGKRZSA-N 1 0 338.408 2.845 20 5 EFBDRO CCCN1C[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421346293 478044132 /nfs/dbraw/zinc/04/41/32/478044132.db2.gz CKIYMFCVYOWFNJ-VCHSTOLQSA-N 1 0 331.416 2.846 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429033324 478045513 /nfs/dbraw/zinc/04/55/13/478045513.db2.gz ZVHJHDWTNUBTRR-VYDXJSESSA-N 1 0 333.432 2.636 20 5 EFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421350080 478046732 /nfs/dbraw/zinc/04/67/32/478046732.db2.gz KIYOQUWDJFARTR-LSDHHAIUSA-N 1 0 333.432 2.764 20 5 EFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000517077523 478049383 /nfs/dbraw/zinc/04/93/83/478049383.db2.gz RWGURGNAYIDLQE-UHFFFAOYSA-N 1 0 344.415 2.705 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)C(C)C ZINC000439935043 478051990 /nfs/dbraw/zinc/05/19/90/478051990.db2.gz SYZRINOLYBTGHQ-UHFFFAOYSA-N 1 0 338.408 2.845 20 5 EFBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000533303250 478061612 /nfs/dbraw/zinc/06/16/12/478061612.db2.gz ZFQRBHAILVBIOJ-UHFFFAOYSA-N 1 0 345.403 2.580 20 5 EFBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000459737335 478067785 /nfs/dbraw/zinc/06/77/85/478067785.db2.gz HUDIOYDOKKUDST-WMLDXEAASA-N 1 0 344.411 2.900 20 5 EFBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000459749036 478072700 /nfs/dbraw/zinc/07/27/00/478072700.db2.gz ILATWLAXZINFKJ-KRWDZBQOSA-N 1 0 334.372 2.735 20 5 EFBDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000487840644 478077632 /nfs/dbraw/zinc/07/76/32/478077632.db2.gz OLLUBKMFDPLWNA-KGLIPLIRSA-N 1 0 346.431 2.756 20 5 EFBDRO COc1ccc(OCC[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459763433 478078471 /nfs/dbraw/zinc/07/84/71/478078471.db2.gz OBZDYZRFWOHNLM-HOTGVXAUSA-N 1 0 336.388 2.529 20 5 EFBDRO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547682 478083000 /nfs/dbraw/zinc/08/30/00/478083000.db2.gz LQFPFILSKFEQCZ-GOEBONIOSA-N 1 0 333.432 2.935 20 5 EFBDRO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547683 478083375 /nfs/dbraw/zinc/08/33/75/478083375.db2.gz LQFPFILSKFEQCZ-HOCLYGCPSA-N 1 0 333.432 2.935 20 5 EFBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459768207 478083832 /nfs/dbraw/zinc/08/38/32/478083832.db2.gz QGSFCRVSEIBGOG-DOTOQJQBSA-N 1 0 334.416 2.976 20 5 EFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 ZINC000451549695 478085446 /nfs/dbraw/zinc/08/54/46/478085446.db2.gz QGAKCFUJMIFHTA-WMLDXEAASA-N 1 0 329.400 2.538 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777670 478086519 /nfs/dbraw/zinc/08/65/19/478086519.db2.gz LJCNVVHPXOSPKU-KWCYVHTRSA-N 1 0 333.388 2.710 20 5 EFBDRO COC(=O)c1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533494297 478089565 /nfs/dbraw/zinc/08/95/65/478089565.db2.gz RSBCOSQTWFLPCI-UHFFFAOYSA-N 1 0 344.367 2.892 20 5 EFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459796035 478097469 /nfs/dbraw/zinc/09/74/69/478097469.db2.gz VYJCZEDKNURMJW-UHOFOFEASA-N 1 0 347.415 2.859 20 5 EFBDRO CSC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000429290404 478100855 /nfs/dbraw/zinc/10/08/55/478100855.db2.gz ZUBFMGUXJYKFCG-ZDUSSCGKSA-N 1 0 337.445 2.998 20 5 EFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451573499 478102666 /nfs/dbraw/zinc/10/26/66/478102666.db2.gz REKMKNFHWYRJBX-CJNGLKHVSA-N 1 0 335.404 2.589 20 5 EFBDRO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000488051390 478112635 /nfs/dbraw/zinc/11/26/35/478112635.db2.gz PXTCQNNSPMRDNN-CYBMUJFWSA-N 1 0 326.400 2.994 20 5 EFBDRO CCOc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000451596373 478115783 /nfs/dbraw/zinc/11/57/83/478115783.db2.gz FUNYVOMJJOCQEZ-QAPCUYQASA-N 1 0 334.416 2.880 20 5 EFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000534021618 478123064 /nfs/dbraw/zinc/12/30/64/478123064.db2.gz ZZAJAVNSRAIVGY-RDJZCZTQSA-N 1 0 336.388 2.685 20 5 EFBDRO COc1ccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497920 478124312 /nfs/dbraw/zinc/12/43/12/478124312.db2.gz WSTGJLRQCOYWLC-HNNXBMFYSA-N 1 0 342.399 2.727 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000451624057 478130767 /nfs/dbraw/zinc/13/07/67/478130767.db2.gz LYFIFMJCYVJUMF-YGRLFVJLSA-N 1 0 329.322 2.750 20 5 EFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451632294 478133531 /nfs/dbraw/zinc/13/35/31/478133531.db2.gz NUVLGXGIBKNXLJ-CUOATXAZSA-N 1 0 341.795 2.732 20 5 EFBDRO CC(C)(C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000518169337 478146998 /nfs/dbraw/zinc/14/69/98/478146998.db2.gz RZAWLXROBTWMLP-HNNXBMFYSA-N 1 0 339.395 2.789 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)nc2c1 ZINC000451699065 478164690 /nfs/dbraw/zinc/16/46/90/478164690.db2.gz TZZKMTRYUYPATC-DYEKYZERSA-N 1 0 331.372 2.719 20 5 EFBDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000495308949 478169895 /nfs/dbraw/zinc/16/98/95/478169895.db2.gz ZLLPXUUQGSLBLA-UHFFFAOYSA-N 1 0 335.404 2.956 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CCO)CC3)co2)cc1 ZINC000534853430 478175565 /nfs/dbraw/zinc/17/55/65/478175565.db2.gz DNSOQZNTDQWVOC-UHFFFAOYSA-N 1 0 331.372 2.844 20 5 EFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000488738775 478177656 /nfs/dbraw/zinc/17/76/56/478177656.db2.gz UOSYLXFDXZHIBI-GVXVVHGQSA-N 1 0 347.444 2.766 20 5 EFBDRO Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429766704 478188176 /nfs/dbraw/zinc/18/81/76/478188176.db2.gz MWBOUYFCVGZBNP-UKRRQHHQSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770522 478189176 /nfs/dbraw/zinc/18/91/76/478189176.db2.gz GFQAECFULSHXRN-OCCSQVGLSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429770120 478189406 /nfs/dbraw/zinc/18/94/06/478189406.db2.gz GFQAECFULSHXRN-GXTWGEPZSA-N 1 0 346.387 2.628 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230661 478203197 /nfs/dbraw/zinc/20/31/97/478203197.db2.gz UFGJHMHXRXNQEP-CQSZACIVSA-N 1 0 343.431 2.924 20 5 EFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000495480930 478205587 /nfs/dbraw/zinc/20/55/87/478205587.db2.gz ODOIYLNIHCAUIS-RYUDHWBXSA-N 1 0 339.367 2.690 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495507887 478211995 /nfs/dbraw/zinc/21/19/95/478211995.db2.gz GUPGUOYMVWKSRR-DZGCQCFKSA-N 1 0 335.404 2.860 20 5 EFBDRO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000489027721 478212035 /nfs/dbraw/zinc/21/20/35/478212035.db2.gz OFHYDXSOVVMWKO-LLVKDONJSA-N 1 0 348.359 2.569 20 5 EFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000495545036 478224794 /nfs/dbraw/zinc/22/47/94/478224794.db2.gz XMUDEXLTTBHNGK-DZGCQCFKSA-N 1 0 335.404 2.594 20 5 EFBDRO COc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000519540741 478231358 /nfs/dbraw/zinc/23/13/58/478231358.db2.gz BRYIVRXPENBEBF-UHFFFAOYSA-N 1 0 329.356 2.722 20 5 EFBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519594398 478237110 /nfs/dbraw/zinc/23/71/10/478237110.db2.gz AZJKGIBQQFJZPS-KBXCAEBGSA-N 1 0 349.431 2.964 20 5 EFBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519594400 478237484 /nfs/dbraw/zinc/23/74/84/478237484.db2.gz AZJKGIBQQFJZPS-KSSFIOAISA-N 1 0 349.431 2.964 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489401650 478241643 /nfs/dbraw/zinc/24/16/43/478241643.db2.gz LKMPWSBHVQFQPV-CHWSQXEVSA-N 1 0 334.420 2.612 20 5 EFBDRO C[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562395139 478242991 /nfs/dbraw/zinc/24/29/91/478242991.db2.gz MZXWQRUINPCUFX-CQSZACIVSA-N 1 0 331.416 2.785 20 5 EFBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519790211 478260578 /nfs/dbraw/zinc/26/05/78/478260578.db2.gz VRCSTBUGZZSQMH-RDJZCZTQSA-N 1 0 344.411 2.945 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489624034 478261707 /nfs/dbraw/zinc/26/17/07/478261707.db2.gz HXILKZPLAINFTN-KCQAQPDRSA-N 1 0 334.420 2.746 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489624036 478261741 /nfs/dbraw/zinc/26/17/41/478261741.db2.gz HXILKZPLAINFTN-YDHLFZDLSA-N 1 0 334.420 2.746 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)cn1 ZINC000536638021 478264273 /nfs/dbraw/zinc/26/42/73/478264273.db2.gz MQIZENUGYWNGJY-UHFFFAOYSA-N 1 0 349.394 2.860 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)cc1 ZINC000562545298 478266130 /nfs/dbraw/zinc/26/61/30/478266130.db2.gz RVRRMOOHPGQACF-SJLPKXTDSA-N 1 0 334.416 2.970 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536843487 478277398 /nfs/dbraw/zinc/27/73/98/478277398.db2.gz CXOPJDGZGPJUMZ-NHYWBVRUSA-N 1 0 343.387 2.702 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590658531 478278149 /nfs/dbraw/zinc/27/81/49/478278149.db2.gz YHSRDZWKAHQLCF-SWLSCSKDSA-N 1 0 336.388 2.613 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H](C3CC3)[C@@H]1C1CC1)OCCO2 ZINC000590660150 478278947 /nfs/dbraw/zinc/27/89/47/478278947.db2.gz FJIZSLIPFMSQFY-KSSFIOAISA-N 1 0 330.384 2.986 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H](C3CC3)[C@H]1C1CC1)OCCO2 ZINC000590660151 478279088 /nfs/dbraw/zinc/27/90/88/478279088.db2.gz FJIZSLIPFMSQFY-RDTXWAMCSA-N 1 0 330.384 2.986 20 5 EFBDRO CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000590659594 478280003 /nfs/dbraw/zinc/28/00/03/478280003.db2.gz UUVIFWDWFRURAH-BLLLJJGKSA-N 1 0 336.388 2.628 20 5 EFBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000570104074 478284546 /nfs/dbraw/zinc/28/45/46/478284546.db2.gz UBWGOKPZCULMBT-UHFFFAOYSA-N 1 0 349.431 2.858 20 5 EFBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000537126778 478286532 /nfs/dbraw/zinc/28/65/32/478286532.db2.gz JOMPASMNJOHIPD-UHFFFAOYSA-N 1 0 340.383 2.879 20 5 EFBDRO C[C@H]1C[NH+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000520254380 478290915 /nfs/dbraw/zinc/29/09/15/478290915.db2.gz UKQOMCMFCFNTMC-KBPBESRZSA-N 1 0 330.388 2.568 20 5 EFBDRO COC1CC[NH+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000590692794 478293931 /nfs/dbraw/zinc/29/39/31/478293931.db2.gz SONUDPMPKZABEA-UHFFFAOYSA-N 1 0 330.388 2.666 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000590756609 478322722 /nfs/dbraw/zinc/32/27/22/478322722.db2.gz WPTQBZNSUBXTGO-IUIKQTSFSA-N 1 0 329.356 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)nc2c1 ZINC000590756608 478322904 /nfs/dbraw/zinc/32/29/04/478322904.db2.gz WPTQBZNSUBXTGO-HFBAOOFYSA-N 1 0 329.356 2.783 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000590756611 478323340 /nfs/dbraw/zinc/32/33/40/478323340.db2.gz WPTQBZNSUBXTGO-XZJROXQQSA-N 1 0 329.356 2.783 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600310070 478333143 /nfs/dbraw/zinc/33/31/43/478333143.db2.gz FUFDDDDUYQYXPS-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000600315931 478336159 /nfs/dbraw/zinc/33/61/59/478336159.db2.gz XJZBEVSBZAVIGF-CYBMUJFWSA-N 1 0 342.399 2.605 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000579614246 478343322 /nfs/dbraw/zinc/34/33/22/478343322.db2.gz WSBPZVHOOJARLJ-KRWDZBQOSA-N 1 0 334.420 2.699 20 5 EFBDRO COc1ccc(-c2ccc(CN(C)[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000570395824 478351326 /nfs/dbraw/zinc/35/13/26/478351326.db2.gz CRUUAVHVPWZPIX-LBPRGKRZSA-N 1 0 331.372 2.657 20 5 EFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597441702 478353344 /nfs/dbraw/zinc/35/33/44/478353344.db2.gz TVODTCZEWZFSFK-INIZCTEOSA-N 1 0 346.431 2.657 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000538413139 478359552 /nfs/dbraw/zinc/35/95/52/478359552.db2.gz XAEOTXROMMWSGH-HNNXBMFYSA-N 1 0 349.431 2.615 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594422337 478376792 /nfs/dbraw/zinc/37/67/92/478376792.db2.gz XVUPHKVOSUHIMN-DOTOQJQBSA-N 1 0 342.399 2.823 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000594422340 478377013 /nfs/dbraw/zinc/37/70/13/478377013.db2.gz XVUPHKVOSUHIMN-WBVHZDCISA-N 1 0 342.399 2.823 20 5 EFBDRO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590883689 478382972 /nfs/dbraw/zinc/38/29/72/478382972.db2.gz XHGKBJREOGICJJ-ZDUSSCGKSA-N 1 0 331.416 2.831 20 5 EFBDRO Cc1c(CC(=O)Nc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000562976650 478400129 /nfs/dbraw/zinc/40/01/29/478400129.db2.gz NAADYHDMSUKUJY-UHFFFAOYSA-N 1 0 325.368 2.730 20 5 EFBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC000562996440 478408880 /nfs/dbraw/zinc/40/88/80/478408880.db2.gz CRICIKKQWUIPRK-UHFFFAOYSA-N 1 0 335.404 2.718 20 5 EFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@]12CCCO2 ZINC000570650094 478408750 /nfs/dbraw/zinc/40/87/50/478408750.db2.gz OCWWBNXMDAPGFG-SPUZQDLCSA-N 1 0 332.400 2.898 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC(F)F)CC1 ZINC000594494237 478409698 /nfs/dbraw/zinc/40/96/98/478409698.db2.gz XDHGAHMWVIOQLV-AWEZNQCLSA-N 1 0 325.359 2.901 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502800 478415755 /nfs/dbraw/zinc/41/57/55/478415755.db2.gz OUUAHGVQLZXCRO-PBHICJAKSA-N 1 0 343.427 2.963 20 5 EFBDRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502802 478416441 /nfs/dbraw/zinc/41/64/41/478416441.db2.gz OUUAHGVQLZXCRO-WMLDXEAASA-N 1 0 343.427 2.963 20 5 EFBDRO CC(C)(C(=O)NCC12CCC[NH+]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000597588370 478423086 /nfs/dbraw/zinc/42/30/86/478423086.db2.gz INNOEHZWOKJFFE-UHFFFAOYSA-N 1 0 331.416 2.617 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594554162 478434576 /nfs/dbraw/zinc/43/45/76/478434576.db2.gz OPIXAJONSAGRPU-RRQGHBQHSA-N 1 0 346.431 2.528 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591039801 478442141 /nfs/dbraw/zinc/44/21/41/478442141.db2.gz BCWUDLCDKXWXPQ-HYVNUMGLSA-N 1 0 331.416 2.687 20 5 EFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603780 478462346 /nfs/dbraw/zinc/46/23/46/478462346.db2.gz VTRMBSLUVKXXTK-KGLIPLIRSA-N 1 0 348.403 2.514 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000540161642 478465927 /nfs/dbraw/zinc/46/59/27/478465927.db2.gz YBLVMJZTHVURQS-ZOCIIQOWSA-N 1 0 347.459 2.932 20 5 EFBDRO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597711594 478473959 /nfs/dbraw/zinc/47/39/59/478473959.db2.gz VNUIWFBCMWTANU-RDTXWAMCSA-N 1 0 331.416 2.643 20 5 EFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000591146259 478474094 /nfs/dbraw/zinc/47/40/94/478474094.db2.gz RAGRZRVQQCIWQZ-JTQLQIEISA-N 1 0 330.310 2.905 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000597713673 478476236 /nfs/dbraw/zinc/47/62/36/478476236.db2.gz FKSVXRGAUZOHAE-SFHVURJKSA-N 1 0 343.383 2.899 20 5 EFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000597717080 478477572 /nfs/dbraw/zinc/47/75/72/478477572.db2.gz YFFOYCLVFRCCMN-KRWDZBQOSA-N 1 0 349.456 2.631 20 5 EFBDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712235 478478698 /nfs/dbraw/zinc/47/86/98/478478698.db2.gz VEYNSEQQGHBNPB-CHWSQXEVSA-N 1 0 347.440 2.962 20 5 EFBDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712237 478479485 /nfs/dbraw/zinc/47/94/85/478479485.db2.gz VEYNSEQQGHBNPB-OLZOCXBDSA-N 1 0 347.440 2.962 20 5 EFBDRO Cc1c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000600723823 478487668 /nfs/dbraw/zinc/48/76/68/478487668.db2.gz FMCKKTMGOMIXNN-CHWSQXEVSA-N 1 0 331.338 2.862 20 5 EFBDRO CC(C)Oc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000582013861 478491805 /nfs/dbraw/zinc/49/18/05/478491805.db2.gz ZECATHXHKKOSGO-UONOGXRCSA-N 1 0 334.420 2.698 20 5 EFBDRO O=C1NCCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591243829 478497201 /nfs/dbraw/zinc/49/72/01/478497201.db2.gz AFIIWWPYHKWZEA-SJLPKXTDSA-N 1 0 339.395 2.800 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000563271175 478500969 /nfs/dbraw/zinc/50/09/69/478500969.db2.gz KGBHUDVKEUDUIZ-QLBUUCPGSA-N 1 0 329.400 2.599 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OCC1CC1 ZINC000591263553 478501556 /nfs/dbraw/zinc/50/15/56/478501556.db2.gz MUVOIMCNQLGMTM-UHFFFAOYSA-N 1 0 336.388 2.661 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccnc1 ZINC000591266119 478501728 /nfs/dbraw/zinc/50/17/28/478501728.db2.gz OBZSPTAQVISAHV-UHFFFAOYSA-N 1 0 343.383 2.828 20 5 EFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591270358 478504196 /nfs/dbraw/zinc/50/41/96/478504196.db2.gz ZZZLUALWJGOFCG-KGLIPLIRSA-N 1 0 332.404 2.838 20 5 EFBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755186 478506181 /nfs/dbraw/zinc/50/61/81/478506181.db2.gz AJYOHSNXSILXHO-AYOQOUSVSA-N 1 0 342.395 2.789 20 5 EFBDRO CC1([NH3+])CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000591279344 478507375 /nfs/dbraw/zinc/50/73/75/478507375.db2.gz HCHWCMYHWFPATD-UHFFFAOYSA-N 1 0 344.318 2.541 20 5 EFBDRO C[C@@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[NH2+]1 ZINC000600772525 478513555 /nfs/dbraw/zinc/51/35/55/478513555.db2.gz DJZOAIQOOXWZGP-DGCLKSJQSA-N 1 0 332.429 2.948 20 5 EFBDRO O=C(Nc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000600788169 478521294 /nfs/dbraw/zinc/52/12/94/478521294.db2.gz CPWUTUOIWDZDNZ-LBPRGKRZSA-N 1 0 344.346 2.734 20 5 EFBDRO CC[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591352785 478533339 /nfs/dbraw/zinc/53/33/39/478533339.db2.gz SDWKRMJZEFCXRZ-DOTOQJQBSA-N 1 0 348.447 2.686 20 5 EFBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591358583 478535343 /nfs/dbraw/zinc/53/53/43/478535343.db2.gz JMACIMJQWKAKSC-HZPDHXFCSA-N 1 0 346.431 2.626 20 5 EFBDRO C[NH2+]C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000600824725 478536703 /nfs/dbraw/zinc/53/67/03/478536703.db2.gz NVMSXAZWNPEPQE-UHFFFAOYSA-N 1 0 346.412 2.590 20 5 EFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH2+]C)CCC1 ZINC000600826064 478536998 /nfs/dbraw/zinc/53/69/98/478536998.db2.gz LRFNJXGGDVNMJO-UHFFFAOYSA-N 1 0 337.445 2.969 20 5 EFBDRO CC1(C)CC[N@H+](CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000563379617 478541234 /nfs/dbraw/zinc/54/12/34/478541234.db2.gz SRVCFOJPJXVPDP-UHFFFAOYSA-N 1 0 331.416 2.818 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000597854864 478542963 /nfs/dbraw/zinc/54/29/63/478542963.db2.gz NSAUVEFFGKNKMC-LBPRGKRZSA-N 1 0 344.415 2.926 20 5 EFBDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541268572 478544866 /nfs/dbraw/zinc/54/48/66/478544866.db2.gz NUQXQXOBQJYWFU-IUODEOHRSA-N 1 0 345.399 2.595 20 5 EFBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597859438 478545783 /nfs/dbraw/zinc/54/57/83/478545783.db2.gz DHJPVHQRGWKZJE-CQSZACIVSA-N 1 0 349.431 2.519 20 5 EFBDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496119187 478549585 /nfs/dbraw/zinc/54/95/85/478549585.db2.gz DYJHFXUOIKWTJT-OAHLLOKOSA-N 1 0 333.388 2.793 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)n2)cc1 ZINC000591439412 478552597 /nfs/dbraw/zinc/55/25/97/478552597.db2.gz USYIPTFBWNZEBT-GXTWGEPZSA-N 1 0 330.413 2.907 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000591441685 478553526 /nfs/dbraw/zinc/55/35/26/478553526.db2.gz FCHIVUFTMBOREH-CHWSQXEVSA-N 1 0 329.404 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000591441686 478553634 /nfs/dbraw/zinc/55/36/34/478553634.db2.gz FCHIVUFTMBOREH-OLZOCXBDSA-N 1 0 329.404 2.687 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000591513889 478571250 /nfs/dbraw/zinc/57/12/50/478571250.db2.gz WESKBDABTPRPLU-YIONKMFJSA-N 1 0 331.416 2.909 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591531586 478576288 /nfs/dbraw/zinc/57/62/88/478576288.db2.gz DLGHWOJSTXCMEV-JTQLQIEISA-N 1 0 326.759 2.805 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597923709 478577910 /nfs/dbraw/zinc/57/79/10/478577910.db2.gz OPTAHCDTRXRGKT-ZDUSSCGKSA-N 1 0 333.432 2.861 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597925782 478578786 /nfs/dbraw/zinc/57/87/86/478578786.db2.gz RDSORPZKZSCEPT-LLVKDONJSA-N 1 0 337.445 2.919 20 5 EFBDRO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000600952514 478581916 /nfs/dbraw/zinc/58/19/16/478581916.db2.gz PEGSXTJYPOSQQE-IONNQARKSA-N 1 0 338.717 2.607 20 5 EFBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000582373625 478581944 /nfs/dbraw/zinc/58/19/44/478581944.db2.gz AWHSFASCFHJTBI-XIRDDKMYSA-N 1 0 334.416 2.845 20 5 EFBDRO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000600952511 478582745 /nfs/dbraw/zinc/58/27/45/478582745.db2.gz PEGSXTJYPOSQQE-CBAPKCEASA-N 1 0 338.717 2.607 20 5 EFBDRO CCc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600962687 478587346 /nfs/dbraw/zinc/58/73/46/478587346.db2.gz JONCFDCQYHWDAO-GASCZTMLSA-N 1 0 339.399 2.555 20 5 EFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000582448070 478600317 /nfs/dbraw/zinc/60/03/17/478600317.db2.gz PZURWHYZRCVNOL-TZMCWYRMSA-N 1 0 336.388 2.910 20 5 EFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997956 478605309 /nfs/dbraw/zinc/60/53/09/478605309.db2.gz GSVZBUHAIZENIT-STQMWFEESA-N 1 0 337.395 2.832 20 5 EFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000591677268 478605772 /nfs/dbraw/zinc/60/57/72/478605772.db2.gz DMKIDOQLGQLLKM-LLVKDONJSA-N 1 0 343.836 2.599 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597991307 478609691 /nfs/dbraw/zinc/60/96/91/478609691.db2.gz CWHPKCSHQUZUDV-LLVKDONJSA-N 1 0 325.434 2.777 20 5 EFBDRO C[C@H](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000597991334 478609738 /nfs/dbraw/zinc/60/97/38/478609738.db2.gz DRSZVAAOONTWQO-LLVKDONJSA-N 1 0 348.428 2.788 20 5 EFBDRO C[C@@H](CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000597991990 478610111 /nfs/dbraw/zinc/61/01/11/478610111.db2.gz IBCJNMXWPDLYQC-NSHDSACASA-N 1 0 348.428 2.788 20 5 EFBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591744295 478618505 /nfs/dbraw/zinc/61/85/05/478618505.db2.gz PEKQPWDWWJYOGS-ZYSHUDEJSA-N 1 0 342.395 2.654 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000591744319 478618791 /nfs/dbraw/zinc/61/87/91/478618791.db2.gz SFHOBCIEGYIJRE-BZUAXINKSA-N 1 0 334.416 2.893 20 5 EFBDRO COc1cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000595001445 478623456 /nfs/dbraw/zinc/62/34/56/478623456.db2.gz UNXAPDLKLNTVCJ-YVEFUNNKSA-N 1 0 346.383 2.563 20 5 EFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@]1(O)CCCOC1 ZINC000594997499 478623665 /nfs/dbraw/zinc/62/36/65/478623665.db2.gz XMXYUUCJDMGGLI-INIZCTEOSA-N 1 0 342.823 2.906 20 5 EFBDRO O=C(CC[NH2+][C@@H]1COCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591770824 478625846 /nfs/dbraw/zinc/62/58/46/478625846.db2.gz LCSFSABQLVKEQM-MRXNPFEDSA-N 1 0 341.367 2.785 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000595006028 478626625 /nfs/dbraw/zinc/62/66/25/478626625.db2.gz DZUBARBHQYUEHI-FZMZJTMJSA-N 1 0 342.399 2.910 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000595008536 478626793 /nfs/dbraw/zinc/62/67/93/478626793.db2.gz VAFRFUOUJDWFJS-GFCCVEGCSA-N 1 0 347.415 2.655 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000595008537 478627149 /nfs/dbraw/zinc/62/71/49/478627149.db2.gz VAFRFUOUJDWFJS-LBPRGKRZSA-N 1 0 347.415 2.655 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000595007342 478627267 /nfs/dbraw/zinc/62/72/67/478627267.db2.gz HJVOKZCCQRWFON-BFHYXJOUSA-N 1 0 349.431 2.901 20 5 EFBDRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542131211 478629811 /nfs/dbraw/zinc/62/98/11/478629811.db2.gz SINOFCCRMOGDLG-ZDUSSCGKSA-N 1 0 332.429 2.805 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOc1ncccc1F ZINC000595022894 478633049 /nfs/dbraw/zinc/63/30/49/478633049.db2.gz QGDRYBDGLFPXKL-NSHDSACASA-N 1 0 335.335 2.867 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000595028548 478634200 /nfs/dbraw/zinc/63/42/00/478634200.db2.gz UTEKANYDXYMMRR-AHIWAGSCSA-N 1 0 336.388 2.592 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000595028555 478634517 /nfs/dbraw/zinc/63/45/17/478634517.db2.gz UTEKANYDXYMMRR-OGHNNQOOSA-N 1 0 336.388 2.592 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000595027588 478634886 /nfs/dbraw/zinc/63/48/86/478634886.db2.gz QJSYSYNTMYDTLJ-LBPRGKRZSA-N 1 0 335.404 2.560 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000595036596 478637838 /nfs/dbraw/zinc/63/78/38/478637838.db2.gz SMCGUIQBWJIGCZ-WFASDCNBSA-N 1 0 348.374 2.997 20 5 EFBDRO O=[N+]([O-])c1ccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000601068559 478639635 /nfs/dbraw/zinc/63/96/35/478639635.db2.gz HCMAWZXFCSGMLT-SFHVURJKSA-N 1 0 346.358 2.750 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000595046606 478640239 /nfs/dbraw/zinc/64/02/39/478640239.db2.gz CUWPEYXJCRAPHM-GXTWGEPZSA-N 1 0 335.404 2.513 20 5 EFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563896340 478658522 /nfs/dbraw/zinc/65/85/22/478658522.db2.gz HCWMADHVUGIUTR-QGZVFWFLSA-N 1 0 339.395 2.733 20 5 EFBDRO Cc1c([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595105218 478662692 /nfs/dbraw/zinc/66/26/92/478662692.db2.gz RGZIWOOHOXSFGL-ZBFHGGJFSA-N 1 0 333.432 2.807 20 5 EFBDRO CC(C)OCC[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601124224 478671609 /nfs/dbraw/zinc/67/16/09/478671609.db2.gz PFNWXXWMKDWSGU-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCOC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571790275 478679108 /nfs/dbraw/zinc/67/91/08/478679108.db2.gz GKLTZPBMTJCNLI-ZDUSSCGKSA-N 1 0 333.388 2.615 20 5 EFBDRO O=C(CC[NH2+]CCC1CC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571790955 478679136 /nfs/dbraw/zinc/67/91/36/478679136.db2.gz JOSSTUSVNQPYIH-UHFFFAOYSA-N 1 0 327.331 2.948 20 5 EFBDRO CCOC(=O)Cc1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000591892666 478679288 /nfs/dbraw/zinc/67/92/88/478679288.db2.gz KOXBUHSJGYZFDP-UHFFFAOYSA-N 1 0 347.415 2.739 20 5 EFBDRO CCC[C@@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000601139690 478683208 /nfs/dbraw/zinc/68/32/08/478683208.db2.gz HJIOXRGQNSOFCS-HNNXBMFYSA-N 1 0 332.404 2.636 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000591901330 478685081 /nfs/dbraw/zinc/68/50/81/478685081.db2.gz QUJMBBXTKICGNY-CQSZACIVSA-N 1 0 349.431 2.844 20 5 EFBDRO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571851394 478688533 /nfs/dbraw/zinc/68/85/33/478688533.db2.gz MJRKUQMXQSTRRE-HOCLYGCPSA-N 1 0 345.443 2.889 20 5 EFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601152375 478690718 /nfs/dbraw/zinc/69/07/18/478690718.db2.gz CYWZDPBZLJRKJM-SFHVURJKSA-N 1 0 330.384 2.687 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601152372 478691026 /nfs/dbraw/zinc/69/10/26/478691026.db2.gz CYWZDPBZLJRKJM-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595220890 478691998 /nfs/dbraw/zinc/69/19/98/478691998.db2.gz LOQAXRBNSUBGAN-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595220888 478692179 /nfs/dbraw/zinc/69/21/79/478692179.db2.gz LNYNMXYQVKNSGI-OAHLLOKOSA-N 1 0 331.416 2.755 20 5 EFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000601153162 478692669 /nfs/dbraw/zinc/69/26/69/478692669.db2.gz KLBIUQGCJTYCDS-LJQANCHMSA-N 1 0 344.411 2.995 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228519 478694029 /nfs/dbraw/zinc/69/40/29/478694029.db2.gz BRJMYUDTXRSRJR-RISCZKNCSA-N 1 0 337.445 2.905 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)s1 ZINC000601160716 478698082 /nfs/dbraw/zinc/69/80/82/478698082.db2.gz ZBWWGVOMXRPJJL-UKRRQHHQSA-N 1 0 334.397 2.563 20 5 EFBDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582840403 478699419 /nfs/dbraw/zinc/69/94/19/478699419.db2.gz VZOHXJCNQVWAIO-DNVCBOLYSA-N 1 0 342.395 2.920 20 5 EFBDRO CSC1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000601166643 478700602 /nfs/dbraw/zinc/70/06/02/478700602.db2.gz QXTQQKPGPCGEKS-UHFFFAOYSA-N 1 0 346.456 2.804 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258503 478705208 /nfs/dbraw/zinc/70/52/08/478705208.db2.gz OMQHIMGBSCEXIH-IUODEOHRSA-N 1 0 335.404 2.583 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CCCCC1 ZINC000542908257 478706147 /nfs/dbraw/zinc/70/61/47/478706147.db2.gz DWULAQGQTHKGMA-QGZVFWFLSA-N 1 0 349.431 2.763 20 5 EFBDRO CCc1ccc([C@@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000542913048 478706286 /nfs/dbraw/zinc/70/62/86/478706286.db2.gz CFANPDIBOGTDRY-GOSISDBHSA-N 1 0 330.384 2.859 20 5 EFBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598218955 478709395 /nfs/dbraw/zinc/70/93/95/478709395.db2.gz KAFBPXHWEVVFAN-CQSZACIVSA-N 1 0 346.431 2.773 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598218536 478710045 /nfs/dbraw/zinc/71/00/45/478710045.db2.gz HNSYNSQQHFXEFC-AWEZNQCLSA-N 1 0 335.379 2.871 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591925659 478710063 /nfs/dbraw/zinc/71/00/63/478710063.db2.gz KEZMBJZSDAKINS-CZUORRHYSA-N 1 0 334.420 2.782 20 5 EFBDRO CCCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591925657 478710684 /nfs/dbraw/zinc/71/06/84/478710684.db2.gz KEZMBJZSDAKINS-CJNGLKHVSA-N 1 0 334.420 2.782 20 5 EFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000564226334 478711388 /nfs/dbraw/zinc/71/13/88/478711388.db2.gz VCMBEFSARZUEMP-OAHLLOKOSA-N 1 0 341.415 2.732 20 5 EFBDRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595289709 478714474 /nfs/dbraw/zinc/71/44/74/478714474.db2.gz VRVKVTZXCDGREG-LBPRGKRZSA-N 1 0 328.363 2.793 20 5 EFBDRO CC[C@H](CC(F)F)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595289708 478714614 /nfs/dbraw/zinc/71/46/14/478714614.db2.gz VRVKVTZXCDGREG-GFCCVEGCSA-N 1 0 328.363 2.793 20 5 EFBDRO Cc1cccc(NCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000571969127 478715458 /nfs/dbraw/zinc/71/54/58/478715458.db2.gz NWIGZAIGVPGKKB-HUUCEWRRSA-N 1 0 344.419 2.680 20 5 EFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891367 478726598 /nfs/dbraw/zinc/72/65/98/478726598.db2.gz COQZSSOASMCITE-OVULNCGTSA-N 1 0 329.400 2.693 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598265919 478733124 /nfs/dbraw/zinc/73/31/24/478733124.db2.gz VZLWESDLAZPYSE-OAHLLOKOSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1noc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595325804 478733503 /nfs/dbraw/zinc/73/35/03/478733503.db2.gz WYVMUNRHWMDXEO-HIFRSBDPSA-N 1 0 336.436 2.978 20 5 EFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000491911655 478735411 /nfs/dbraw/zinc/73/54/11/478735411.db2.gz HIXRJFXJCDHROG-PLDWVVQRSA-N 1 0 331.416 2.939 20 5 EFBDRO Cc1noc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595335598 478736212 /nfs/dbraw/zinc/73/62/12/478736212.db2.gz UIORXQLOQGSXCQ-MRXNPFEDSA-N 1 0 344.415 2.845 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@H](C)O ZINC000572075614 478744314 /nfs/dbraw/zinc/74/43/14/478744314.db2.gz LYSLNIKHRMZIET-AWEZNQCLSA-N 1 0 330.384 2.986 20 5 EFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000601245629 478745669 /nfs/dbraw/zinc/74/56/69/478745669.db2.gz JLQBOVRASFZIIY-CYBMUJFWSA-N 1 0 335.379 2.682 20 5 EFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000601251016 478746612 /nfs/dbraw/zinc/74/66/12/478746612.db2.gz TWGDVCDGDCSRSR-AWEZNQCLSA-N 1 0 328.372 2.690 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000564469416 478747808 /nfs/dbraw/zinc/74/78/08/478747808.db2.gz DYNGCGXCVXEPRE-CQSZACIVSA-N 1 0 339.823 2.939 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000564494188 478751330 /nfs/dbraw/zinc/75/13/30/478751330.db2.gz FBIPHCTXHYRLAJ-LBPRGKRZSA-N 1 0 347.337 2.872 20 5 EFBDRO CCC[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000595403965 478762864 /nfs/dbraw/zinc/76/28/64/478762864.db2.gz KKWHRYYPPLOXOK-MRXNPFEDSA-N 1 0 339.411 2.667 20 5 EFBDRO Cc1noc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595403440 478763073 /nfs/dbraw/zinc/76/30/73/478763073.db2.gz FICDEHCIIIZRBC-ZIAGYGMSSA-N 1 0 344.415 2.986 20 5 EFBDRO CC(C)(C)n1nnc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000595405550 478763271 /nfs/dbraw/zinc/76/32/71/478763271.db2.gz YAKNDXLDVKNUTM-UHFFFAOYSA-N 1 0 344.419 2.543 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601293612 478768811 /nfs/dbraw/zinc/76/88/11/478768811.db2.gz IHBRNDSVXMHEKS-ZWNOBZJWSA-N 1 0 343.309 2.949 20 5 EFBDRO CCN(Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595438379 478781985 /nfs/dbraw/zinc/78/19/85/478781985.db2.gz OQGWYVVRZABOSL-MRXNPFEDSA-N 1 0 344.415 2.988 20 5 EFBDRO [NH3+]C[C@H]1Cc2ccccc2N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601335535 478791843 /nfs/dbraw/zinc/79/18/43/478791843.db2.gz OIECQKGUUWFEPL-CQSZACIVSA-N 1 0 327.384 2.611 20 5 EFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595453078 478793420 /nfs/dbraw/zinc/79/34/20/478793420.db2.gz ORGXTLNWLXEOPF-CQSZACIVSA-N 1 0 334.420 2.514 20 5 EFBDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583259179 478806889 /nfs/dbraw/zinc/80/68/89/478806889.db2.gz XEYZRDQIZKAPBF-CMPLNLGQSA-N 1 0 336.310 2.655 20 5 EFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2cccnc2)C1 ZINC000564797659 478814399 /nfs/dbraw/zinc/81/43/99/478814399.db2.gz XOFZQPKXOPRIEB-HIFRSBDPSA-N 1 0 340.383 2.806 20 5 EFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595484600 478814775 /nfs/dbraw/zinc/81/47/75/478814775.db2.gz MJLBLRISGISUOF-ZMSDIMECSA-N 1 0 331.416 2.516 20 5 EFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492089833 478818432 /nfs/dbraw/zinc/81/84/32/478818432.db2.gz PXESROLQBMBUMQ-RJXMKIDGSA-N 1 0 335.379 2.736 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492091865 478819625 /nfs/dbraw/zinc/81/96/25/478819625.db2.gz VIJFUPIBOUEWCE-ZPUOCTKUSA-N 1 0 343.427 2.798 20 5 EFBDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826513 478822461 /nfs/dbraw/zinc/82/24/61/478822461.db2.gz QQBXNIYQCJBKKY-RDTXWAMCSA-N 1 0 329.400 2.522 20 5 EFBDRO CC[N@H+](CCSC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000592205259 478824528 /nfs/dbraw/zinc/82/45/28/478824528.db2.gz YBRLALCGRXYQJC-UHFFFAOYSA-N 1 0 341.433 2.617 20 5 EFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595520984 478831889 /nfs/dbraw/zinc/83/18/89/478831889.db2.gz UVZZVIJIRFVZEI-MRXNPFEDSA-N 1 0 348.447 2.701 20 5 EFBDRO Cc1c(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592254276 478842578 /nfs/dbraw/zinc/84/25/78/478842578.db2.gz BKCHALINDLQUPQ-SJORKVTESA-N 1 0 345.443 2.684 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255487 478843377 /nfs/dbraw/zinc/84/33/77/478843377.db2.gz QDZRAKJLLMMHSW-LSDHHAIUSA-N 1 0 331.416 2.755 20 5 EFBDRO CC(C)Oc1nc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000583451030 478855820 /nfs/dbraw/zinc/85/58/20/478855820.db2.gz IOAMIMOPOHDECO-OAHLLOKOSA-N 1 0 348.447 2.945 20 5 EFBDRO CC(C)[NH2+]CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000592295871 478855833 /nfs/dbraw/zinc/85/58/33/478855833.db2.gz ISWMMHMXKUPTKS-GFCCVEGCSA-N 1 0 325.434 2.580 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592331769 478861043 /nfs/dbraw/zinc/86/10/43/478861043.db2.gz PIXBBPUXDVUQJV-FZMZJTMJSA-N 1 0 337.445 2.906 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)c(Br)c1 ZINC000592356691 478867269 /nfs/dbraw/zinc/86/72/69/478867269.db2.gz FKGUFSOUHHRJNJ-SNVBAGLBSA-N 1 0 339.149 2.832 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356672 478867565 /nfs/dbraw/zinc/86/75/65/478867565.db2.gz DKNHOIULMJZGIL-JTQLQIEISA-N 1 0 338.751 2.677 20 5 EFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592374799 478872006 /nfs/dbraw/zinc/87/20/06/478872006.db2.gz JROOQHHERICQMZ-CJNGLKHVSA-N 1 0 346.431 2.882 20 5 EFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572592159 478873803 /nfs/dbraw/zinc/87/38/03/478873803.db2.gz DEDMRGKTFAZEQS-OCCSQVGLSA-N 1 0 348.428 2.753 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)C1 ZINC000583542442 478873909 /nfs/dbraw/zinc/87/39/09/478873909.db2.gz WRFXNGGJGAAZDX-GFCCVEGCSA-N 1 0 343.387 2.802 20 5 EFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595594613 478874496 /nfs/dbraw/zinc/87/44/96/478874496.db2.gz GMBKNSRAYQRQIN-QGZVFWFLSA-N 1 0 330.384 2.509 20 5 EFBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592380620 478874970 /nfs/dbraw/zinc/87/49/70/478874970.db2.gz OFDSPIUAEYYIGU-XHDPSFHLSA-N 1 0 332.429 2.979 20 5 EFBDRO COc1ccc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595595167 478875084 /nfs/dbraw/zinc/87/50/84/478875084.db2.gz HPNJLGWCXXHZOK-MRXNPFEDSA-N 1 0 330.384 2.639 20 5 EFBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592380615 478875473 /nfs/dbraw/zinc/87/54/73/478875473.db2.gz OFDSPIUAEYYIGU-IAQYHMDHSA-N 1 0 332.429 2.979 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(CO)cc2)n1 ZINC000592392861 478882333 /nfs/dbraw/zinc/88/23/33/478882333.db2.gz AWNREMNQFXIUNP-CVEARBPZSA-N 1 0 330.388 2.557 20 5 EFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592396053 478884024 /nfs/dbraw/zinc/88/40/24/478884024.db2.gz FZKIJRUNOLFYRM-GZBFAFLISA-N 1 0 337.420 2.699 20 5 EFBDRO Cc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000598537911 478884973 /nfs/dbraw/zinc/88/49/73/478884973.db2.gz ROFOEMWWNVHPFT-UHFFFAOYSA-N 1 0 331.416 2.755 20 5 EFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000592427673 478891898 /nfs/dbraw/zinc/89/18/98/478891898.db2.gz PBRWELSRJLWLIC-MFKMUULPSA-N 1 0 329.347 2.755 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000592428808 478891990 /nfs/dbraw/zinc/89/19/90/478891990.db2.gz VOUZLIILTHAXHK-BLLLJJGKSA-N 1 0 347.440 2.871 20 5 EFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592440514 478893169 /nfs/dbraw/zinc/89/31/69/478893169.db2.gz QHGXPJVVGFCSSS-LBPRGKRZSA-N 1 0 337.445 2.967 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558843 478893387 /nfs/dbraw/zinc/89/33/87/478893387.db2.gz FEIYNMVJAAUHNB-CQSZACIVSA-N 1 0 349.406 2.515 20 5 EFBDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598559337 478893674 /nfs/dbraw/zinc/89/36/74/478893674.db2.gz XSEVGGJDAQESRS-GOEBONIOSA-N 1 0 345.443 2.937 20 5 EFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598562104 478896406 /nfs/dbraw/zinc/89/64/06/478896406.db2.gz TUBJTESGFCIXIC-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562973 478896462 /nfs/dbraw/zinc/89/64/62/478896462.db2.gz YEFTWCROHHQDPW-KRWDZBQOSA-N 1 0 345.443 2.766 20 5 EFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000545201457 478896779 /nfs/dbraw/zinc/89/67/79/478896779.db2.gz BQNDMOUJIPNAES-HOCLYGCPSA-N 1 0 333.432 2.622 20 5 EFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598571153 478901823 /nfs/dbraw/zinc/90/18/23/478901823.db2.gz HANSCXKGLWBSEG-LBPRGKRZSA-N 1 0 345.321 2.684 20 5 EFBDRO NC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CCCCC1 ZINC000507392618 478919237 /nfs/dbraw/zinc/91/92/37/478919237.db2.gz TVIGEYGVSLBHHU-UHFFFAOYSA-N 1 0 333.432 2.895 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)OCCO2 ZINC000592520275 478928001 /nfs/dbraw/zinc/92/80/01/478928001.db2.gz JLHZORWFQQNBKM-AWEZNQCLSA-N 1 0 341.367 2.751 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595673133 478928068 /nfs/dbraw/zinc/92/80/68/478928068.db2.gz KNEQYQGCQUVPGI-RHSMWYFYSA-N 1 0 349.431 2.715 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492320397 478928310 /nfs/dbraw/zinc/92/83/10/478928310.db2.gz OUBGDKALKLLBRD-NPQIQWPPSA-N 1 0 331.416 2.797 20 5 EFBDRO Cc1cc(N(C)C)nc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH+]1 ZINC000507739634 478931200 /nfs/dbraw/zinc/93/12/00/478931200.db2.gz FAEYTKJDWVJCLB-UHFFFAOYSA-N 1 0 329.404 2.917 20 5 EFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000595678683 478932603 /nfs/dbraw/zinc/93/26/03/478932603.db2.gz SVHFYZFFSHSHCM-RISCZKNCSA-N 1 0 326.368 2.725 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678691 478932918 /nfs/dbraw/zinc/93/29/18/478932918.db2.gz SXJYNAXHYJXTHA-BBRMVZONSA-N 1 0 349.431 2.715 20 5 EFBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])c(C)c2Br)CCC1 ZINC000598632995 478934552 /nfs/dbraw/zinc/93/45/52/478934552.db2.gz HVHVDGVEXKAGTK-UHFFFAOYSA-N 1 0 329.198 2.615 20 5 EFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592536962 478938309 /nfs/dbraw/zinc/93/83/09/478938309.db2.gz ZSYPNSISFOPIFG-FVQHAEBGSA-N 1 0 339.351 2.791 20 5 EFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CCO ZINC000595695895 478940560 /nfs/dbraw/zinc/94/05/60/478940560.db2.gz IYKGEYXYXBUJNW-IUODEOHRSA-N 1 0 346.387 2.628 20 5 EFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492344333 478941704 /nfs/dbraw/zinc/94/17/04/478941704.db2.gz XIAFKAUWTRLWEO-VGVVRCBHSA-N 1 0 349.406 2.936 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592567227 478943349 /nfs/dbraw/zinc/94/33/49/478943349.db2.gz AQLYIULACTUVQA-LLVKDONJSA-N 1 0 335.429 2.721 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592567228 478943404 /nfs/dbraw/zinc/94/34/04/478943404.db2.gz AQLYIULACTUVQA-NSHDSACASA-N 1 0 335.429 2.721 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568656 478944300 /nfs/dbraw/zinc/94/43/00/478944300.db2.gz NHDQOFLVAHSAMR-QWHCGFSZSA-N 1 0 349.456 2.866 20 5 EFBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)CC(C)(C)C1 ZINC000595703318 478945639 /nfs/dbraw/zinc/94/56/39/478945639.db2.gz CGKHEEPWOKTDLU-OAHLLOKOSA-N 1 0 338.452 2.689 20 5 EFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(C3CC3)CCC2)cc1 ZINC000583807651 478947006 /nfs/dbraw/zinc/94/70/06/478947006.db2.gz UGMWPXUTARTRNW-UHFFFAOYSA-N 1 0 338.429 2.538 20 5 EFBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CCO ZINC000595704839 478947931 /nfs/dbraw/zinc/94/79/31/478947931.db2.gz WGHQQEQVTSGQES-WFASDCNBSA-N 1 0 346.387 2.628 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595706039 478949899 /nfs/dbraw/zinc/94/98/99/478949899.db2.gz WTYHEWZBADMDJS-BBRMVZONSA-N 1 0 349.431 2.715 20 5 EFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598666244 478953274 /nfs/dbraw/zinc/95/32/74/478953274.db2.gz WGCJAXLRUXQXHW-AWEZNQCLSA-N 1 0 331.416 2.866 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000492368482 478954618 /nfs/dbraw/zinc/95/46/18/478954618.db2.gz MYAMJCYEFFSNRA-FPLPWBNLSA-N 1 0 329.400 2.695 20 5 EFBDRO O=C(CC[NH2+][C@@H](CO)CC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000572961092 478959651 /nfs/dbraw/zinc/95/96/51/478959651.db2.gz YIDDDBJXCJZJNX-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000565300943 478975052 /nfs/dbraw/zinc/97/50/52/478975052.db2.gz FSTNUEZAPQKQCM-UONOGXRCSA-N 1 0 335.404 2.730 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828127 479020003 /nfs/dbraw/zinc/02/00/03/479020003.db2.gz HZUQBVWUQHXEGJ-LSDHHAIUSA-N 1 0 331.416 2.909 20 5 EFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000595829669 479022954 /nfs/dbraw/zinc/02/29/54/479022954.db2.gz YPEOSFHKYXJRAW-UHFFFAOYSA-N 1 0 342.399 2.651 20 5 EFBDRO C[C@@H]1[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592767316 479033708 /nfs/dbraw/zinc/03/37/08/479033708.db2.gz VPIFZRCGAQQPIF-XFJVYGCCSA-N 1 0 335.429 2.509 20 5 EFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595858881 479036935 /nfs/dbraw/zinc/03/69/35/479036935.db2.gz ZOMQRSVNHIJMPM-LQDVMPOASA-N 1 0 329.400 2.747 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000595867449 479041160 /nfs/dbraw/zinc/04/11/60/479041160.db2.gz NIFUGPKOANAKFF-MRXNPFEDSA-N 1 0 338.310 2.575 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595867708 479041510 /nfs/dbraw/zinc/04/15/10/479041510.db2.gz OOIWCXMOPYIMLM-AWEZNQCLSA-N 1 0 338.310 2.575 20 5 EFBDRO CC[C@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565654557 479054969 /nfs/dbraw/zinc/05/49/69/479054969.db2.gz MHXDOSYPTGAOEB-KBPBESRZSA-N 1 0 340.445 2.784 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000493559063 479056393 /nfs/dbraw/zinc/05/63/93/479056393.db2.gz SDLNRPDNAGPQOU-BTKRWWFXSA-N 1 0 329.400 2.599 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592829787 479062369 /nfs/dbraw/zinc/06/23/69/479062369.db2.gz YZUIWHUTOKLVKR-IXDOHACOSA-N 1 0 331.416 2.641 20 5 EFBDRO CCCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592828036 479063315 /nfs/dbraw/zinc/06/33/15/479063315.db2.gz ADLILAVYQJGXPD-TZMCWYRMSA-N 1 0 337.395 2.780 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC1(C)C ZINC000595908720 479064717 /nfs/dbraw/zinc/06/47/17/479064717.db2.gz KBBYQFZPMLTJKL-NWDGAFQWSA-N 1 0 335.404 2.908 20 5 EFBDRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000595918425 479071619 /nfs/dbraw/zinc/07/16/19/479071619.db2.gz CJHGKJSCUZDXGB-JTQLQIEISA-N 1 0 331.397 2.793 20 5 EFBDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000601930876 479078435 /nfs/dbraw/zinc/07/84/35/479078435.db2.gz AOGDTLKRSCLXSX-IINYFYTJSA-N 1 0 346.412 2.816 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935950 479078814 /nfs/dbraw/zinc/07/88/14/479078814.db2.gz LBZXHDYMOFHEJQ-CYBMUJFWSA-N 1 0 335.379 2.586 20 5 EFBDRO [NH3+]C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000595941995 479080989 /nfs/dbraw/zinc/08/09/89/479080989.db2.gz VLTKGNUQBSCPRB-UHFFFAOYSA-N 1 0 346.412 2.720 20 5 EFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595959152 479082171 /nfs/dbraw/zinc/08/21/71/479082171.db2.gz BTGMVZLTZSAJSK-ZDUSSCGKSA-N 1 0 335.379 2.586 20 5 EFBDRO C[C@@H]1CC2(CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000598914126 479083225 /nfs/dbraw/zinc/08/32/25/479083225.db2.gz ZGPCKQNOLVKCLS-LLVKDONJSA-N 1 0 336.367 2.730 20 5 EFBDRO [NH3+]CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598912856 479083305 /nfs/dbraw/zinc/08/33/05/479083305.db2.gz CKALEQADSYGZKU-VIFPVBQESA-N 1 0 340.689 2.649 20 5 EFBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000598914077 479083595 /nfs/dbraw/zinc/08/35/95/479083595.db2.gz XBEMSQNDTVFUPX-KOLCDFICSA-N 1 0 326.784 2.839 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000598914000 479084022 /nfs/dbraw/zinc/08/40/22/479084022.db2.gz URXDFMAIYORVHW-NWDGAFQWSA-N 1 0 336.367 2.587 20 5 EFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000598916002 479084602 /nfs/dbraw/zinc/08/46/02/479084602.db2.gz SMIPJKQDFBRZEM-ZJUUUORDSA-N 1 0 326.784 2.758 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000598916980 479084899 /nfs/dbraw/zinc/08/48/99/479084899.db2.gz LAXFPGIZLOMAJM-AWEZNQCLSA-N 1 0 336.367 2.730 20 5 EFBDRO C[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1CCC[NH3+] ZINC000601979820 479108281 /nfs/dbraw/zinc/10/82/81/479108281.db2.gz COVFZZNUEIDSTO-TZMCWYRMSA-N 1 0 329.404 2.882 20 5 EFBDRO C[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573654083 479110876 /nfs/dbraw/zinc/11/08/76/479110876.db2.gz DKNQEVILYRMNDR-LSDHHAIUSA-N 1 0 333.432 2.935 20 5 EFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000573664533 479115632 /nfs/dbraw/zinc/11/56/32/479115632.db2.gz FCDABZKMQZGEFX-HUUCEWRRSA-N 1 0 333.432 2.841 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493690988 479116411 /nfs/dbraw/zinc/11/64/11/479116411.db2.gz MBFDNZBWTVNQTM-IYNGYCSASA-N 1 0 335.379 2.547 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598989019 479116516 /nfs/dbraw/zinc/11/65/16/479116516.db2.gz XZOFQNAUICYLGO-XSHSDMCLSA-N 1 0 325.359 2.927 20 5 EFBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)CC(C)C ZINC000596068948 479118510 /nfs/dbraw/zinc/11/85/10/479118510.db2.gz BKBUHUFHIRODME-CQSZACIVSA-N 1 0 336.436 2.862 20 5 EFBDRO CC[NH+](CC)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000596072821 479122093 /nfs/dbraw/zinc/12/20/93/479122093.db2.gz AAKILDAMTYSCRJ-CYBMUJFWSA-N 1 0 335.433 2.550 20 5 EFBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000596075187 479123378 /nfs/dbraw/zinc/12/33/78/479123378.db2.gz JOQXUBWBNITYPC-JTQLQIEISA-N 1 0 334.401 2.616 20 5 EFBDRO Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596076483 479123600 /nfs/dbraw/zinc/12/36/00/479123600.db2.gz GAGLKTSVJWUPLG-UHFFFAOYSA-N 1 0 325.434 2.513 20 5 EFBDRO Cc1cncc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000593013017 479123735 /nfs/dbraw/zinc/12/37/35/479123735.db2.gz CURINIWMWYEFNE-UHFFFAOYSA-N 1 0 342.399 2.779 20 5 EFBDRO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])s1 ZINC000596078616 479124684 /nfs/dbraw/zinc/12/46/84/479124684.db2.gz XUUKKVKAMDKRKG-OAHLLOKOSA-N 1 0 347.440 2.796 20 5 EFBDRO COc1cccnc1NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599018561 479126892 /nfs/dbraw/zinc/12/68/92/479126892.db2.gz ZBFIOORZVKGWRE-UHFFFAOYSA-N 1 0 333.344 2.670 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCCC[NH+]1CCC(O)CC1 ZINC000596085915 479128603 /nfs/dbraw/zinc/12/86/03/479128603.db2.gz OFFIGDIDWMHAPB-UHFFFAOYSA-N 1 0 329.347 2.791 20 5 EFBDRO Cc1ccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000599023037 479129890 /nfs/dbraw/zinc/12/98/90/479129890.db2.gz QHVSAXMCHHJVRI-GOSISDBHSA-N 1 0 344.411 2.961 20 5 EFBDRO O=c1[nH]ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596087981 479130597 /nfs/dbraw/zinc/13/05/97/479130597.db2.gz IXXPWSTVYSQVOW-UHFFFAOYSA-N 1 0 346.362 2.911 20 5 EFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000515190276 479130776 /nfs/dbraw/zinc/13/07/76/479130776.db2.gz LZIIYOKLZZPMPH-UHFFFAOYSA-N 1 0 343.339 2.637 20 5 EFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000593027964 479132685 /nfs/dbraw/zinc/13/26/85/479132685.db2.gz HKNQPTMBXOHRAC-STQMWFEESA-N 1 0 337.395 2.656 20 5 EFBDRO CC1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000596092663 479133007 /nfs/dbraw/zinc/13/30/07/479133007.db2.gz CIVOQEVDIMKVDC-GWUWNPHMSA-N 1 0 336.436 2.806 20 5 EFBDRO C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000569084823 479135639 /nfs/dbraw/zinc/13/56/39/479135639.db2.gz BBQVJHFXRUTSQD-UHFFFAOYSA-N 1 0 335.407 2.505 20 5 EFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596097193 479136836 /nfs/dbraw/zinc/13/68/36/479136836.db2.gz FYORIGYCHUDFRZ-AWEZNQCLSA-N 1 0 334.420 2.644 20 5 EFBDRO CC(C)(O)C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596103235 479140669 /nfs/dbraw/zinc/14/06/69/479140669.db2.gz AQYRYRKGGHOJAA-UHFFFAOYSA-N 1 0 347.337 2.507 20 5 EFBDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000593055594 479146795 /nfs/dbraw/zinc/14/67/95/479146795.db2.gz MRIOWMXXRLBEEQ-AWEZNQCLSA-N 1 0 335.404 2.813 20 5 EFBDRO C[NH+](C)C/C=C\C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000493759962 479149186 /nfs/dbraw/zinc/14/91/86/479149186.db2.gz RYABGMHBVHYHMB-LLPBQKLSSA-N 1 0 349.284 2.571 20 5 EFBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c[nH]1 ZINC000599078873 479152759 /nfs/dbraw/zinc/15/27/59/479152759.db2.gz GOMXZQHTXAHXHW-RKVPGOIHSA-N 1 0 341.367 2.803 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000593065423 479153647 /nfs/dbraw/zinc/15/36/47/479153647.db2.gz WWWYHHYCWNNXJX-OAHLLOKOSA-N 1 0 339.411 2.759 20 5 EFBDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000593079144 479160358 /nfs/dbraw/zinc/16/03/58/479160358.db2.gz BASGJMKMKNZWMN-INIZCTEOSA-N 1 0 344.415 2.897 20 5 EFBDRO Cc1cc(CO)cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000596142309 479161617 /nfs/dbraw/zinc/16/16/17/479161617.db2.gz LBXCGQKHPRJQCI-UHFFFAOYSA-N 1 0 343.383 2.838 20 5 EFBDRO CCOc1ccc(NC(=O)C[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593081033 479161641 /nfs/dbraw/zinc/16/16/41/479161641.db2.gz PXUUAEBNYAMQBB-UHFFFAOYSA-N 1 0 333.388 2.854 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000596146069 479162812 /nfs/dbraw/zinc/16/28/12/479162812.db2.gz KWYKLXKQXUUEFL-ABAIWWIYSA-N 1 0 347.444 2.550 20 5 EFBDRO Cc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596157907 479169472 /nfs/dbraw/zinc/16/94/72/479169472.db2.gz JREOJHIRCPBCCY-AWEZNQCLSA-N 1 0 338.477 2.569 20 5 EFBDRO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596163374 479173023 /nfs/dbraw/zinc/17/30/23/479173023.db2.gz SNMGZPJCDOCIAU-JSGCOSHPSA-N 1 0 328.372 2.770 20 5 EFBDRO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000599143052 479178895 /nfs/dbraw/zinc/17/88/95/479178895.db2.gz OMEHLNHLKUMZLM-KRWDZBQOSA-N 1 0 341.415 2.732 20 5 EFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000602997471 479186442 /nfs/dbraw/zinc/18/64/42/479186442.db2.gz KWJWSMDMYZXHGN-BBWFWOEESA-N 1 0 347.415 2.549 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599157347 479187419 /nfs/dbraw/zinc/18/74/19/479187419.db2.gz TZLZITLNUIIEMU-INIZCTEOSA-N 1 0 348.447 2.511 20 5 EFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000602998077 479188034 /nfs/dbraw/zinc/18/80/34/479188034.db2.gz WWQIKBXCOHDWMD-BJJXKVORSA-N 1 0 338.379 2.868 20 5 EFBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610799008 479191966 /nfs/dbraw/zinc/19/19/66/479191966.db2.gz KKBBYZHAKXJNSH-LSDHHAIUSA-N 1 0 348.447 2.776 20 5 EFBDRO CS[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596195872 479192336 /nfs/dbraw/zinc/19/23/36/479192336.db2.gz PEERCRARTFJUKQ-STQMWFEESA-N 1 0 327.475 2.981 20 5 EFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN1CCCCC1 ZINC000610799006 479192658 /nfs/dbraw/zinc/19/26/58/479192658.db2.gz KKBBYZHAKXJNSH-GJZGRUSLSA-N 1 0 348.447 2.776 20 5 EFBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000569847669 479193796 /nfs/dbraw/zinc/19/37/96/479193796.db2.gz DWCNNSATSPSWTM-UHFFFAOYSA-N 1 0 333.413 2.891 20 5 EFBDRO O=[N+]([O-])c1ncccc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000610808894 479194022 /nfs/dbraw/zinc/19/40/22/479194022.db2.gz VVLQBCVGYZFSFQ-UHFFFAOYSA-N 1 0 332.791 2.965 20 5 EFBDRO C[NH+](C)CC1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000602139117 479198939 /nfs/dbraw/zinc/19/89/39/479198939.db2.gz CZLZWCAXMASEBA-UHFFFAOYSA-N 1 0 345.321 2.572 20 5 EFBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000610844331 479204758 /nfs/dbraw/zinc/20/47/58/479204758.db2.gz IRCJDGLJUCEPEB-UHFFFAOYSA-N 1 0 343.383 2.981 20 5 EFBDRO Cc1c(NC(=O)CC[N@H+](C)CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000610859660 479212053 /nfs/dbraw/zinc/21/20/53/479212053.db2.gz GKNSTFLKSZPHHY-UHFFFAOYSA-N 1 0 337.420 2.979 20 5 EFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccco1 ZINC000596231247 479213134 /nfs/dbraw/zinc/21/31/34/479213134.db2.gz OIQXFPIFADAYJQ-RISCZKNCSA-N 1 0 346.387 2.828 20 5 EFBDRO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC12CCCCC2 ZINC000596251388 479224107 /nfs/dbraw/zinc/22/41/07/479224107.db2.gz RTUQEHNOENPDER-UHFFFAOYSA-N 1 0 341.415 2.993 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593187457 479228607 /nfs/dbraw/zinc/22/86/07/479228607.db2.gz KQGLDMLWIGUIKJ-HBNTYKKESA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593187459 479228943 /nfs/dbraw/zinc/22/89/43/479228943.db2.gz KQGLDMLWIGUIKJ-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO CCNc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593187911 479228990 /nfs/dbraw/zinc/22/89/90/479228990.db2.gz RPZWVQIDKKLOFI-JHJVBQTASA-N 1 0 334.420 2.580 20 5 EFBDRO CCOc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593186887 479229014 /nfs/dbraw/zinc/22/90/14/479229014.db2.gz AJSCCIVIEHPIBQ-JHJVBQTASA-N 1 0 335.404 2.547 20 5 EFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000593186927 479229242 /nfs/dbraw/zinc/22/92/42/479229242.db2.gz BKIJGONLOBTGRH-GRYCIOLGSA-N 1 0 337.445 2.870 20 5 EFBDRO Cn1cncc1CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000596261366 479229806 /nfs/dbraw/zinc/22/98/06/479229806.db2.gz QKXASTSOMPEASB-UHFFFAOYSA-N 1 0 326.150 2.712 20 5 EFBDRO C[C@H](C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000593189617 479229922 /nfs/dbraw/zinc/22/99/22/479229922.db2.gz VUBUMGYUUGUTEC-MROQNXINSA-N 1 0 337.395 2.777 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000593189263 479230509 /nfs/dbraw/zinc/23/05/09/479230509.db2.gz ZIYFAJCYNNXZND-MXWKQRLJSA-N 1 0 325.796 2.801 20 5 EFBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000593188570 479230721 /nfs/dbraw/zinc/23/07/21/479230721.db2.gz LWIQPQUVTRUSIA-TUAOUCFPSA-N 1 0 339.823 2.730 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000593190528 479231800 /nfs/dbraw/zinc/23/18/00/479231800.db2.gz MFZQFBFUPLRLBP-ZWNONLRRSA-N 1 0 331.416 2.638 20 5 EFBDRO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000603081835 479237899 /nfs/dbraw/zinc/23/78/99/479237899.db2.gz DHFHYVDPHAXLOR-UHFFFAOYSA-N 1 0 340.383 2.651 20 5 EFBDRO Cc1cc(N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596373534 479271065 /nfs/dbraw/zinc/27/10/65/479271065.db2.gz PNKBMNBUIKPGKH-XYWAVCLCSA-N 1 0 347.440 2.975 20 5 EFBDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000585090419 479278874 /nfs/dbraw/zinc/27/88/74/479278874.db2.gz LUZLHCKTXNGPAX-RRFJBIMHSA-N 1 0 341.415 2.873 20 5 EFBDRO CC[N@@H+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000611092232 479280622 /nfs/dbraw/zinc/28/06/22/479280622.db2.gz MDKVQBIJHKJHDQ-OLZOCXBDSA-N 1 0 345.403 2.732 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000557559732 479289725 /nfs/dbraw/zinc/28/97/25/479289725.db2.gz SWCUOMQKQUUKNW-CYBMUJFWSA-N 1 0 335.404 2.832 20 5 EFBDRO CC(C)[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611170479 479300517 /nfs/dbraw/zinc/30/05/17/479300517.db2.gz OBNFVPKTSUSHSG-HNNXBMFYSA-N 1 0 340.445 2.630 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CCOC4)CC3)o2)cc1 ZINC000611178510 479303137 /nfs/dbraw/zinc/30/31/37/479303137.db2.gz XEYPOISIBCVJEQ-UHFFFAOYSA-N 1 0 344.371 2.647 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000611182196 479305044 /nfs/dbraw/zinc/30/50/44/479305044.db2.gz FIVFKXNUQOMBGK-INIZCTEOSA-N 1 0 338.411 2.975 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000596461228 479305366 /nfs/dbraw/zinc/30/53/66/479305366.db2.gz DUWUIIHQOWWLQZ-INIZCTEOSA-N 1 0 326.400 2.743 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000599474277 479307426 /nfs/dbraw/zinc/30/74/26/479307426.db2.gz MZXIPZLOOHBXEV-UHFFFAOYSA-N 1 0 339.823 2.545 20 5 EFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000611195910 479307825 /nfs/dbraw/zinc/30/78/25/479307825.db2.gz MSFRMSIAUKNNNU-ZDUSSCGKSA-N 1 0 342.399 2.777 20 5 EFBDRO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c(F)c1 ZINC000603223228 479309987 /nfs/dbraw/zinc/30/99/87/479309987.db2.gz GFYAHOLNQWKEOM-UHFFFAOYSA-N 1 0 333.367 2.796 20 5 EFBDRO C[NH2+][C@@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230525 479312072 /nfs/dbraw/zinc/31/20/72/479312072.db2.gz AXHUZLNMRIJBLQ-QMMMGPOBSA-N 1 0 329.282 2.534 20 5 EFBDRO C[NH+](C)CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000611227251 479316899 /nfs/dbraw/zinc/31/68/99/479316899.db2.gz WHWQUODVERWAFN-UHFFFAOYSA-N 1 0 343.225 2.530 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000611248450 479322408 /nfs/dbraw/zinc/32/24/08/479322408.db2.gz GDCPUWUUPLBTQM-KBPBESRZSA-N 1 0 338.404 2.697 20 5 EFBDRO COc1ccc(OCCN2Cc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000599536132 479324326 /nfs/dbraw/zinc/32/43/26/479324326.db2.gz GGLNCPOTUJSXIK-UHFFFAOYSA-N 1 0 330.340 2.704 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611254048 479325190 /nfs/dbraw/zinc/32/51/90/479325190.db2.gz KFXRYXCSIAKSTJ-BHSUKZTGSA-N 1 0 345.443 2.795 20 5 EFBDRO C[NH+]1CCC2(CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611260562 479326810 /nfs/dbraw/zinc/32/68/10/479326810.db2.gz YQXUBIYAZQKSLS-UHFFFAOYSA-N 1 0 349.456 2.774 20 5 EFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000593407967 479328445 /nfs/dbraw/zinc/32/84/45/479328445.db2.gz PFDIIZXSFRFTJC-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO CC(C)c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611268466 479330461 /nfs/dbraw/zinc/33/04/61/479330461.db2.gz SWMNTISLJRXIMX-HKUYNNGSSA-N 1 0 347.459 2.749 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccco3)C1)OCCO2 ZINC000611271371 479332781 /nfs/dbraw/zinc/33/27/81/479332781.db2.gz ZGVWZOUTKHERRP-LBPRGKRZSA-N 1 0 330.340 2.949 20 5 EFBDRO O=[N+]([O-])c1cccc(CN(Cc2cc3c(cn2)OCCO3)C2CC2)c1 ZINC000602439262 479332830 /nfs/dbraw/zinc/33/28/30/479332830.db2.gz JVGRAGFTKRKAKM-UHFFFAOYSA-N 1 0 341.367 2.926 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419315 479333397 /nfs/dbraw/zinc/33/33/97/479333397.db2.gz FKLZBYLQFUZMGS-CHWSQXEVSA-N 1 0 337.395 2.513 20 5 EFBDRO Cn1cc(C[C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000611276250 479335320 /nfs/dbraw/zinc/33/53/20/479335320.db2.gz FMDRCLSNFNMVES-VOKGJARPSA-N 1 0 326.400 2.906 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000611280763 479335390 /nfs/dbraw/zinc/33/53/90/479335390.db2.gz MVJXURHVMHCGCJ-AWEZNQCLSA-N 1 0 333.432 2.980 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000611287852 479338739 /nfs/dbraw/zinc/33/87/39/479338739.db2.gz XNMYFQHFCCWONK-CHWSQXEVSA-N 1 0 329.425 2.975 20 5 EFBDRO CCOc1cc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297356 479341335 /nfs/dbraw/zinc/34/13/35/479341335.db2.gz VCIPMAZHHPPLKM-OAHLLOKOSA-N 1 0 348.447 2.574 20 5 EFBDRO CCn1cnnc1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611336027 479350697 /nfs/dbraw/zinc/35/06/97/479350697.db2.gz PNXURSFQSFCSQF-ZBFHGGJFSA-N 1 0 343.431 2.750 20 5 EFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000593479298 479359624 /nfs/dbraw/zinc/35/96/24/479359624.db2.gz AHMKFMYNLXGSRC-UHFFFAOYSA-N 1 0 349.406 2.753 20 5 EFBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c[nH]1 ZINC000599631320 479360460 /nfs/dbraw/zinc/36/04/60/479360460.db2.gz XZAUCLPLFYFANR-CJNGLKHVSA-N 1 0 349.774 2.969 20 5 EFBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(C)ccc1C ZINC000599641110 479364280 /nfs/dbraw/zinc/36/42/80/479364280.db2.gz OBYMPJZYNAUVOX-RDJZCZTQSA-N 1 0 332.404 2.510 20 5 EFBDRO CC(C)[NH+](CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000593498552 479367504 /nfs/dbraw/zinc/36/75/04/479367504.db2.gz LZEXNJHPDXQLAG-UHFFFAOYSA-N 1 0 339.411 2.902 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccccc3F)CC2)cn1 ZINC000602502328 479370144 /nfs/dbraw/zinc/37/01/44/479370144.db2.gz HMBQEOFRXOLDSN-UHFFFAOYSA-N 1 0 344.390 2.930 20 5 EFBDRO CC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602501409 479370923 /nfs/dbraw/zinc/37/09/23/479370923.db2.gz GMZVIISUGXCIOI-UHFFFAOYSA-N 1 0 345.321 2.714 20 5 EFBDRO CC(C)[NH+]1CCN(C2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000611414013 479371970 /nfs/dbraw/zinc/37/19/70/479371970.db2.gz AXALMZPAPJZHBQ-UHFFFAOYSA-N 1 0 338.477 2.651 20 5 EFBDRO C[NH+]1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602504080 479372141 /nfs/dbraw/zinc/37/21/41/479372141.db2.gz RSBSAWJCSARYFY-UHFFFAOYSA-N 1 0 334.239 2.603 20 5 EFBDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602510125 479375269 /nfs/dbraw/zinc/37/52/69/479375269.db2.gz QZSCTPRAUORFKV-SECBINFHSA-N 1 0 348.266 2.993 20 5 EFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000603409403 479376163 /nfs/dbraw/zinc/37/61/63/479376163.db2.gz WNHJUPYTVKAIBC-UHFFFAOYSA-N 1 0 340.811 2.699 20 5 EFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603417437 479379503 /nfs/dbraw/zinc/37/95/03/479379503.db2.gz ZVNXUEGDKNIRFA-HOTGVXAUSA-N 1 0 341.415 2.583 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000602526769 479381316 /nfs/dbraw/zinc/38/13/16/479381316.db2.gz PPAIDKWHAISDPD-MRXNPFEDSA-N 1 0 332.375 2.717 20 5 EFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602524512 479381509 /nfs/dbraw/zinc/38/15/09/479381509.db2.gz KVJHZCMUFBHBGP-STQMWFEESA-N 1 0 332.404 2.946 20 5 EFBDRO CNC(=O)c1ccc(N(C)CCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000603423954 479381990 /nfs/dbraw/zinc/38/19/90/479381990.db2.gz RZEZSAUDBNBCJW-UHFFFAOYSA-N 1 0 348.447 2.657 20 5 EFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602527742 479383247 /nfs/dbraw/zinc/38/32/47/479383247.db2.gz KRLZSMAASKFMSC-IUODEOHRSA-N 1 0 337.445 2.532 20 5 EFBDRO Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602538825 479386848 /nfs/dbraw/zinc/38/68/48/479386848.db2.gz CMDVKSYENBXWKV-ZYHUDNBSSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541217 479388428 /nfs/dbraw/zinc/38/84/28/479388428.db2.gz OHLRBDFCZMOUOD-CMPLNLGQSA-N 1 0 345.321 2.503 20 5 EFBDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602541173 479389009 /nfs/dbraw/zinc/38/90/09/479389009.db2.gz NKWUZZNXPVANOW-NWDGAFQWSA-N 1 0 345.321 2.503 20 5 EFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588071865 479389691 /nfs/dbraw/zinc/38/96/91/479389691.db2.gz IMAJSWWHEZIDBN-OCCSQVGLSA-N 1 0 327.388 2.601 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1Br ZINC000602545323 479391441 /nfs/dbraw/zinc/39/14/41/479391441.db2.gz PKGPVYAJFDJRLV-MRVPVSSYSA-N 1 0 346.250 2.745 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000602545814 479391819 /nfs/dbraw/zinc/39/18/19/479391819.db2.gz PYGIGSBYSQXYHM-LBPRGKRZSA-N 1 0 329.322 2.940 20 5 EFBDRO O=C(NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000602549949 479392981 /nfs/dbraw/zinc/39/29/81/479392981.db2.gz GCNSESJFUUVREK-UHFFFAOYSA-N 1 0 345.374 2.686 20 5 EFBDRO CCCC[C@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554583 479394156 /nfs/dbraw/zinc/39/41/56/479394156.db2.gz BNOFVHDXHKZYNP-OAHLLOKOSA-N 1 0 336.436 2.753 20 5 EFBDRO C[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H](C)O ZINC000602557773 479396319 /nfs/dbraw/zinc/39/63/19/479396319.db2.gz ILKUPTNOTDRITE-SFYZADRCSA-N 1 0 337.239 2.915 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)nc2c1 ZINC000602566668 479400606 /nfs/dbraw/zinc/40/06/06/479400606.db2.gz AKWRLOGXOWLHOP-MEDUHNTESA-N 1 0 349.412 2.880 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000602568769 479400712 /nfs/dbraw/zinc/40/07/12/479400712.db2.gz MFENVOPEPIFDKK-GFCCVEGCSA-N 1 0 347.371 2.554 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4cnccc4o3)CC2)n1 ZINC000593620148 479405117 /nfs/dbraw/zinc/40/51/17/479405117.db2.gz GKUANPKPEFZUQS-UHFFFAOYSA-N 1 0 327.344 2.770 20 5 EFBDRO COc1cc(NCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000602581270 479408642 /nfs/dbraw/zinc/40/86/42/479408642.db2.gz JDXXDOKFTIRNJW-UHFFFAOYSA-N 1 0 345.399 2.856 20 5 EFBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000603628841 479415279 /nfs/dbraw/zinc/41/52/79/479415279.db2.gz DITWHPCTSCIZIM-UHFFFAOYSA-N 1 0 343.431 2.583 20 5 EFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602599871 479417300 /nfs/dbraw/zinc/41/73/00/479417300.db2.gz SGWGXPJSCINXLT-AVGNSLFASA-N 1 0 337.445 2.709 20 5 EFBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598139 479417368 /nfs/dbraw/zinc/41/73/68/479417368.db2.gz BWCHCAWIERREKS-SMDDNHRTSA-N 1 0 339.823 2.828 20 5 EFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598136 479417571 /nfs/dbraw/zinc/41/75/71/479417571.db2.gz BWCHCAWIERREKS-BXUZGUMPSA-N 1 0 339.823 2.828 20 5 EFBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593674469 479419628 /nfs/dbraw/zinc/41/96/28/479419628.db2.gz VAQYSMLAWANMGP-HUUCEWRRSA-N 1 0 348.424 2.905 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Cn2cncn2)CC1 ZINC000588529853 479421777 /nfs/dbraw/zinc/42/17/77/479421777.db2.gz VOCONMIEKCQQQJ-HYXAFXHYSA-N 1 0 327.388 2.612 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)CCF)o2)c([N+](=O)[O-])c1 ZINC000593690496 479423860 /nfs/dbraw/zinc/42/38/60/479423860.db2.gz ZYTOIAIKDFVJJK-NSHDSACASA-N 1 0 338.335 2.674 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)CCF)cs2)c1 ZINC000593690310 479423903 /nfs/dbraw/zinc/42/39/03/479423903.db2.gz WVXFKXGDLBIKGU-NSHDSACASA-N 1 0 325.365 2.528 20 5 EFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1nccs1 ZINC000602613821 479424040 /nfs/dbraw/zinc/42/40/40/479424040.db2.gz QKWAOUWASZDDME-GFCCVEGCSA-N 1 0 347.444 2.808 20 5 EFBDRO Cn1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602616539 479425341 /nfs/dbraw/zinc/42/53/41/479425341.db2.gz LQMJPIFFVMUQBL-UHFFFAOYSA-N 1 0 328.294 2.679 20 5 EFBDRO O=[N+]([O-])c1ncccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000611617602 479431045 /nfs/dbraw/zinc/43/10/45/479431045.db2.gz MNYOXQJCQJUILK-INIZCTEOSA-N 1 0 342.399 2.559 20 5 EFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602625721 479431754 /nfs/dbraw/zinc/43/17/54/479431754.db2.gz INCQHJRVJDQRNX-ZWKOTPCHSA-N 1 0 344.415 2.864 20 5 EFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593720959 479434343 /nfs/dbraw/zinc/43/43/43/479434343.db2.gz NMXWLSFFWNCOEM-GUYCJALGSA-N 1 0 338.404 2.576 20 5 EFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000614533753 479437217 /nfs/dbraw/zinc/43/72/17/479437217.db2.gz ULGYDBKEPPBXGX-KRWDZBQOSA-N 1 0 347.440 2.730 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOCC(F)F ZINC000602633036 479437327 /nfs/dbraw/zinc/43/73/27/479437327.db2.gz WRCYVCJAZGWOJK-UHFFFAOYSA-N 1 0 328.237 2.985 20 5 EFBDRO C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CC[NH3+] ZINC000593733941 479438188 /nfs/dbraw/zinc/43/81/88/479438188.db2.gz OOXVVXVBAYXOSJ-WFASDCNBSA-N 1 0 345.403 2.594 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)CC(F)F)cc1Br ZINC000602635473 479438978 /nfs/dbraw/zinc/43/89/78/479438978.db2.gz FONCZNVDXMEZFM-RXMQYKEDSA-N 1 0 345.165 2.525 20 5 EFBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000611701877 479449780 /nfs/dbraw/zinc/44/97/80/479449780.db2.gz RJZBLAWAOYHCGT-OLZOCXBDSA-N 1 0 329.404 2.635 20 5 EFBDRO C[C@H]1CCC[N@H+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611700515 479450460 /nfs/dbraw/zinc/45/04/60/479450460.db2.gz IADXADIIVASKMC-AWEZNQCLSA-N 1 0 343.431 2.884 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611700516 479450587 /nfs/dbraw/zinc/45/05/87/479450587.db2.gz IADXADIIVASKMC-CQSZACIVSA-N 1 0 343.431 2.884 20 5 EFBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2(O)CCC2)cc1Br ZINC000602653990 479452070 /nfs/dbraw/zinc/45/20/70/479452070.db2.gz QKAMIPLGFBEMFW-UHFFFAOYSA-N 1 0 335.223 2.814 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000611707825 479452882 /nfs/dbraw/zinc/45/28/82/479452882.db2.gz MCNKRYCHMHCVCX-AWEZNQCLSA-N 1 0 341.415 2.850 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000611707646 479452991 /nfs/dbraw/zinc/45/29/91/479452991.db2.gz PJMMCWSVVMGIEF-CQSZACIVSA-N 1 0 341.415 2.993 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000611712115 479453514 /nfs/dbraw/zinc/45/35/14/479453514.db2.gz FYXQPZZZODLUCU-CQSZACIVSA-N 1 0 341.415 2.706 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cn1 ZINC000602663769 479458986 /nfs/dbraw/zinc/45/89/86/479458986.db2.gz VXDDRPFTTUVRHE-CYBMUJFWSA-N 1 0 336.461 2.691 20 5 EFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000602671131 479464535 /nfs/dbraw/zinc/46/45/35/479464535.db2.gz QNBUZWWTPKDDRC-OALUTQOASA-N 1 0 326.396 2.893 20 5 EFBDRO CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602675951 479468100 /nfs/dbraw/zinc/46/81/00/479468100.db2.gz XMZSDTIJSASCIU-XJKSGUPXSA-N 1 0 336.436 2.609 20 5 EFBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000602681043 479471349 /nfs/dbraw/zinc/47/13/49/479471349.db2.gz IQJFFUJLCKILQY-UHFFFAOYSA-N 1 0 348.447 2.755 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000596889578 479474644 /nfs/dbraw/zinc/47/46/44/479474644.db2.gz IBSPNUVPZRZEOJ-LBPRGKRZSA-N 1 0 336.392 2.599 20 5 EFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602685312 479475389 /nfs/dbraw/zinc/47/53/89/479475389.db2.gz FTNUQOMTRRLTOJ-IAGOWNOFSA-N 1 0 348.447 2.896 20 5 EFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602686425 479475496 /nfs/dbraw/zinc/47/54/96/479475496.db2.gz RJKYSJPEEAVSKW-HZPDHXFCSA-N 1 0 334.420 2.506 20 5 EFBDRO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602688694 479476138 /nfs/dbraw/zinc/47/61/38/479476138.db2.gz XVMDZXZHLXXKFU-CVEARBPZSA-N 1 0 346.431 2.506 20 5 EFBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589104174 479477652 /nfs/dbraw/zinc/47/76/52/479477652.db2.gz VUYIYOHZARCKPE-CYBMUJFWSA-N 1 0 338.770 2.919 20 5 EFBDRO CCC(C)(C)OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602690200 479478456 /nfs/dbraw/zinc/47/84/56/479478456.db2.gz JQLDCXVFNWABST-UHFFFAOYSA-N 1 0 336.436 2.753 20 5 EFBDRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575814142 479480444 /nfs/dbraw/zinc/48/04/44/479480444.db2.gz JUQLTDPPUDVDTF-HNNXBMFYSA-N 1 0 333.432 2.937 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)cn1 ZINC000602696401 479482013 /nfs/dbraw/zinc/48/20/13/479482013.db2.gz ZDKPEWRAILQKKK-YOEHRIQHSA-N 1 0 330.432 2.984 20 5 EFBDRO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589162060 479487492 /nfs/dbraw/zinc/48/74/92/479487492.db2.gz GFBMCPKZMGSYIR-STQMWFEESA-N 1 0 336.310 2.511 20 5 EFBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704598 479488912 /nfs/dbraw/zinc/48/89/12/479488912.db2.gz AXYGJJRRXAZZGP-MRTUKWCHSA-N 1 0 337.401 2.515 20 5 EFBDRO COC(=O)C[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000589165094 479489058 /nfs/dbraw/zinc/48/90/58/479489058.db2.gz SYQQUPKAWASUEY-SFHVURJKSA-N 1 0 343.383 2.600 20 5 EFBDRO Cc1csc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000618562619 479494417 /nfs/dbraw/zinc/49/44/17/479494417.db2.gz SFUYXQWSWMZVOI-STQMWFEESA-N 1 0 335.433 2.872 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2CO)n1 ZINC000618564654 479494794 /nfs/dbraw/zinc/49/47/94/479494794.db2.gz BJDRXOMGGFLQOM-CVEARBPZSA-N 1 0 330.388 2.557 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000593883611 479496643 /nfs/dbraw/zinc/49/66/43/479496643.db2.gz QTZGHXRCKUDWMN-UHFFFAOYSA-N 1 0 330.388 2.634 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(CO)cc2)n1 ZINC000618572213 479497141 /nfs/dbraw/zinc/49/71/41/479497141.db2.gz SQTTUIQCFICOPJ-IRXDYDNUSA-N 1 0 344.415 2.600 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(CO)cc2)n1 ZINC000618572211 479497284 /nfs/dbraw/zinc/49/72/84/479497284.db2.gz SQTTUIQCFICOPJ-DLBZAZTESA-N 1 0 344.415 2.600 20 5 EFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000575907891 479498768 /nfs/dbraw/zinc/49/87/68/479498768.db2.gz VQDCMEBWJWQMGN-HKBKRHGFSA-N 1 0 343.427 2.942 20 5 EFBDRO CNc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604333894 479503112 /nfs/dbraw/zinc/50/31/12/479503112.db2.gz CKCYYQBWOGTXHV-MJBXVCDLSA-N 1 0 348.447 2.733 20 5 EFBDRO CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916862 479508748 /nfs/dbraw/zinc/50/87/48/479508748.db2.gz SQJUYJHEVSINTK-TZMCWYRMSA-N 1 0 335.404 2.583 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000593920095 479509234 /nfs/dbraw/zinc/50/92/34/479509234.db2.gz XFQNXMUEPOARNK-UHFFFAOYSA-N 1 0 337.445 2.826 20 5 EFBDRO CC(C)Oc1nc(NCc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000593931832 479512054 /nfs/dbraw/zinc/51/20/54/479512054.db2.gz MIIWJAUQEOGHDF-LBPRGKRZSA-N 1 0 330.388 2.831 20 5 EFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1=O ZINC000575994737 479519281 /nfs/dbraw/zinc/51/92/81/479519281.db2.gz UZUXVJODPKSITR-CYBMUJFWSA-N 1 0 337.445 2.678 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000589374887 479519608 /nfs/dbraw/zinc/51/96/08/479519608.db2.gz NRHVTAZRHZNVJD-CQSZACIVSA-N 1 0 332.404 2.763 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCSC[C@H]3CO)o2)c1 ZINC000602751630 479529523 /nfs/dbraw/zinc/52/95/23/479529523.db2.gz QCPPEIJQRJOTEX-CQSZACIVSA-N 1 0 334.397 2.765 20 5 EFBDRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576084904 479533895 /nfs/dbraw/zinc/53/38/95/479533895.db2.gz NJCZAEXQOMQXHL-HIFRSBDPSA-N 1 0 331.416 2.831 20 5 EFBDRO CC[N@H+](CCC(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604525361 479534231 /nfs/dbraw/zinc/53/42/31/479534231.db2.gz UCIGWWCJXYDDCJ-GFCCVEGCSA-N 1 0 336.310 2.609 20 5 EFBDRO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000602767104 479537091 /nfs/dbraw/zinc/53/70/91/479537091.db2.gz VWAJJVPZIYBSAB-CQSZACIVSA-N 1 0 332.404 2.809 20 5 EFBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC[NH+](C)CC1 ZINC000604552341 479540435 /nfs/dbraw/zinc/54/04/35/479540435.db2.gz JISDCTVNNMSBBY-LLVKDONJSA-N 1 0 330.388 2.536 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000602769975 479541710 /nfs/dbraw/zinc/54/17/10/479541710.db2.gz XWXADCFCAFSBPX-UHFFFAOYSA-N 1 0 349.479 2.688 20 5 EFBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000576114953 479544150 /nfs/dbraw/zinc/54/41/50/479544150.db2.gz CTXRWKSXFGMHHZ-PHIMTYICSA-N 1 0 329.322 2.920 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000602781407 479547816 /nfs/dbraw/zinc/54/78/16/479547816.db2.gz XBAPPHUORLIDBP-UHFFFAOYSA-N 1 0 343.431 2.701 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000602782915 479550128 /nfs/dbraw/zinc/55/01/28/479550128.db2.gz BUHXIJWZQNVAMB-UHFFFAOYSA-N 1 0 332.379 2.946 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000594019902 479552781 /nfs/dbraw/zinc/55/27/81/479552781.db2.gz CBQFPXCKFDXLPC-UHFFFAOYSA-N 1 0 348.447 2.648 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602789364 479553554 /nfs/dbraw/zinc/55/35/54/479553554.db2.gz ZMDJRUOONUCENK-WBVHZDCISA-N 1 0 349.479 2.686 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000602794304 479559042 /nfs/dbraw/zinc/55/90/42/479559042.db2.gz VGBVTXXKRVMZGZ-ZDUSSCGKSA-N 1 0 348.428 2.899 20 5 EFBDRO Cc1ncc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000614962439 479559772 /nfs/dbraw/zinc/55/97/72/479559772.db2.gz DJTHAETVBFBIJQ-JSGCOSHPSA-N 1 0 342.403 2.644 20 5 EFBDRO CN1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1=O ZINC000600179254 479566312 /nfs/dbraw/zinc/56/63/12/479566312.db2.gz XCANYPZSUVIHKI-ZDUSSCGKSA-N 1 0 343.383 2.907 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000602808762 479569068 /nfs/dbraw/zinc/56/90/68/479569068.db2.gz ZAJKXNPISAVJDG-ZDUSSCGKSA-N 1 0 340.387 2.636 20 5 EFBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000589877309 479577842 /nfs/dbraw/zinc/57/78/42/479577842.db2.gz KPRJHYNSXUHREN-ZDUSSCGKSA-N 1 0 341.415 2.849 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938046 479583973 /nfs/dbraw/zinc/58/39/73/479583973.db2.gz BLWVIPYSCVQWDY-FZMZJTMJSA-N 1 0 348.321 2.929 20 5 EFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000602837748 479585843 /nfs/dbraw/zinc/58/58/43/479585843.db2.gz ZRYOZICBTUQGBP-HNNXBMFYSA-N 1 0 330.388 2.643 20 5 EFBDRO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000590032888 479594029 /nfs/dbraw/zinc/59/40/29/479594029.db2.gz HEAUEEQBZDZUAU-CYBMUJFWSA-N 1 0 333.432 2.719 20 5 EFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000618826823 479606536 /nfs/dbraw/zinc/60/65/36/479606536.db2.gz CJCSELGIFHVJIX-DQOPKJQZSA-N 1 0 345.443 2.793 20 5 EFBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000612201776 479609867 /nfs/dbraw/zinc/60/98/67/479609867.db2.gz XUSPMJNWHLFQQL-OLZOCXBDSA-N 1 0 336.388 2.661 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602890324 479614300 /nfs/dbraw/zinc/61/43/00/479614300.db2.gz HFPKKNCTYHFIMZ-HOTGVXAUSA-N 1 0 338.379 2.534 20 5 EFBDRO COCC1(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000590192600 479616750 /nfs/dbraw/zinc/61/67/50/479616750.db2.gz VVWYPLHKFFBGRW-UHFFFAOYSA-N 1 0 336.388 2.662 20 5 EFBDRO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCC[C@@H]21 ZINC000590203732 479617091 /nfs/dbraw/zinc/61/70/91/479617091.db2.gz QPFJBCSMGLAYFW-RDJZCZTQSA-N 1 0 343.427 2.994 20 5 EFBDRO CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000578856292 479619320 /nfs/dbraw/zinc/61/93/20/479619320.db2.gz VMAZHBWGADNVDL-DLBZAZTESA-N 1 0 331.416 2.546 20 5 EFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597204673 479619622 /nfs/dbraw/zinc/61/96/22/479619622.db2.gz CTDBZZVWTBBAMD-GDBMZVCRSA-N 1 0 331.416 2.819 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618872525 479620344 /nfs/dbraw/zinc/62/03/44/479620344.db2.gz IRMVBGLNESVBHA-CYBMUJFWSA-N 1 0 345.321 2.714 20 5 EFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597217992 479626231 /nfs/dbraw/zinc/62/62/31/479626231.db2.gz LRGXECNEWOSNIS-BETUJISGSA-N 1 0 330.340 2.896 20 5 EFBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000594197500 479627800 /nfs/dbraw/zinc/62/78/00/479627800.db2.gz OUGYQDIVJYQSLA-GJZGRUSLSA-N 1 0 347.415 2.659 20 5 EFBDRO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594197845 479628554 /nfs/dbraw/zinc/62/85/54/479628554.db2.gz QPTWHWJLZMPWJC-JKSUJKDBSA-N 1 0 331.416 2.904 20 5 EFBDRO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594198682 479629599 /nfs/dbraw/zinc/62/95/99/479629599.db2.gz UVMJNBQPILKCGB-NVXWUHKLSA-N 1 0 331.416 2.579 20 5 EFBDRO CCNc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594200262 479629847 /nfs/dbraw/zinc/62/98/47/479629847.db2.gz KHQRSRYOEQBXGE-HOTGVXAUSA-N 1 0 346.431 2.773 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615239436 479635160 /nfs/dbraw/zinc/63/51/60/479635160.db2.gz UKVSQJIXYYMUPA-OAHLLOKOSA-N 1 0 349.431 2.559 20 5 EFBDRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000602930335 479636594 /nfs/dbraw/zinc/63/65/94/479636594.db2.gz DQJHTNTZKPIHCH-UHFFFAOYSA-N 1 0 336.392 2.599 20 5 EFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579004181 479648095 /nfs/dbraw/zinc/64/80/95/479648095.db2.gz FZZMRICXUPHDIV-KRWDZBQOSA-N 1 0 339.395 2.830 20 5 EFBDRO CN(C)c1cc[nH+]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000612347063 479650209 /nfs/dbraw/zinc/65/02/09/479650209.db2.gz RWWUBSGQRSDSHW-UHFFFAOYSA-N 1 0 334.763 2.890 20 5 EFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000615303177 479652214 /nfs/dbraw/zinc/65/22/14/479652214.db2.gz GGEZNBMHAWKDNJ-YJYMSZOUSA-N 1 0 349.434 2.846 20 5 EFBDRO CC1(C)C[C@@H]([NH2+]CCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984305 479659527 /nfs/dbraw/zinc/65/95/27/479659527.db2.gz ZSXUGZNJZQGOHQ-SUMWQHHRSA-N 1 0 334.416 2.960 20 5 EFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000618986663 479660093 /nfs/dbraw/zinc/66/00/93/479660093.db2.gz BCHIKYMPBHVCBK-VUCTXSBTSA-N 1 0 333.432 2.626 20 5 EFBDRO C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612483462 479679708 /nfs/dbraw/zinc/67/97/08/479679708.db2.gz JRAVBKVTFRHLQC-RYUDHWBXSA-N 1 0 337.395 2.684 20 5 EFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612591652 479703093 /nfs/dbraw/zinc/70/30/93/479703093.db2.gz LTSKTBOPCWTNOH-QWHCGFSZSA-N 1 0 337.395 2.826 20 5 EFBDRO COc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] ZINC000615943174 479788609 /nfs/dbraw/zinc/78/86/09/479788609.db2.gz OKLNPKMNWDOXSU-CQSZACIVSA-N 1 0 332.404 2.866 20 5 EFBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000619527029 479818406 /nfs/dbraw/zinc/81/84/06/479818406.db2.gz BNFPQRKIERBPEP-LBPRGKRZSA-N 1 0 330.363 2.936 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000619566937 479829785 /nfs/dbraw/zinc/82/97/85/479829785.db2.gz BGDYUUFOGFHNJD-OAHLLOKOSA-N 1 0 346.431 2.725 20 5 EFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619578962 479834146 /nfs/dbraw/zinc/83/41/46/479834146.db2.gz WZNSBRFBMKNYCN-AWEZNQCLSA-N 1 0 344.415 2.561 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000619583438 479835462 /nfs/dbraw/zinc/83/54/62/479835462.db2.gz RAQADGQBDFOCPO-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609560668 480175525 /nfs/dbraw/zinc/17/55/25/480175525.db2.gz IVZLZNDQCZBEOI-AWEZNQCLSA-N 1 0 348.447 2.875 20 5 EFBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583516 480181310 /nfs/dbraw/zinc/18/13/10/480181310.db2.gz NMTQIYUCVAGTCJ-AWEZNQCLSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583517 480181606 /nfs/dbraw/zinc/18/16/06/480181606.db2.gz NMTQIYUCVAGTCJ-CQSZACIVSA-N 1 0 348.447 2.633 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609610116 480186128 /nfs/dbraw/zinc/18/61/28/480186128.db2.gz LDMMVANBLZSCCS-GJZGRUSLSA-N 1 0 348.447 2.660 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609610118 480186172 /nfs/dbraw/zinc/18/61/72/480186172.db2.gz LDMMVANBLZSCCS-LSDHHAIUSA-N 1 0 348.447 2.660 20 5 EFBDRO CC(C)n1c(Sc2cccnc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000609797330 480207588 /nfs/dbraw/zinc/20/75/88/480207588.db2.gz KZGOALMZZNMPJT-NSHDSACASA-N 1 0 348.432 2.780 20 5 EFBDRO CC(C)n1c(Sc2cccnc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000609802796 480207807 /nfs/dbraw/zinc/20/78/07/480207807.db2.gz OKSSNVGPSAKHPR-UHFFFAOYSA-N 1 0 348.432 2.780 20 5 EFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874673 480215595 /nfs/dbraw/zinc/21/55/95/480215595.db2.gz HBPGNAHKKXTNFQ-NSHDSACASA-N 1 0 325.796 2.708 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609878580 480216945 /nfs/dbraw/zinc/21/69/45/480216945.db2.gz XWWASVKXCDNIPM-CYBMUJFWSA-N 1 0 325.796 2.852 20 5 EFBDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614191511 480220399 /nfs/dbraw/zinc/22/03/99/480220399.db2.gz HDAMIGQVZQGRIK-CJNGLKHVSA-N 1 0 340.445 2.927 20 5 EFBDRO Cc1cccc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610000980 480227466 /nfs/dbraw/zinc/22/74/66/480227466.db2.gz KIRYMZKESBWYNZ-UHFFFAOYSA-N 1 0 326.400 2.929 20 5 EFBDRO C[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161208 480245059 /nfs/dbraw/zinc/24/50/59/480245059.db2.gz PFROJPSWGMGQIG-OAHLLOKOSA-N 1 0 330.384 2.857 20 5 EFBDRO CC(C)NC(=O)c1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000610273812 480268636 /nfs/dbraw/zinc/26/86/36/480268636.db2.gz NSARDDLKMWWLGL-UHFFFAOYSA-N 1 0 348.447 2.511 20 5 EFBDRO C[NH+](C)CCCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610305647 480276553 /nfs/dbraw/zinc/27/65/53/480276553.db2.gz QYSWCJDIGLPMBF-UHFFFAOYSA-N 1 0 349.431 2.697 20 5 EFBDRO CCC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000610395597 480295534 /nfs/dbraw/zinc/29/55/34/480295534.db2.gz QBXFFWSJKJNKAN-UHFFFAOYSA-N 1 0 336.388 2.662 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000614457123 480313703 /nfs/dbraw/zinc/31/37/03/480313703.db2.gz UCIIZTWTHIPMCQ-NSHDSACASA-N 1 0 337.445 2.777 20 5 EFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610550190 480335223 /nfs/dbraw/zinc/33/52/23/480335223.db2.gz HNCDPSCKUPFYFT-GFCCVEGCSA-N 1 0 345.346 2.719 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617746236 480350793 /nfs/dbraw/zinc/35/07/93/480350793.db2.gz HNQHICHMWJDSQJ-UNEWFSDZSA-N 1 0 331.416 2.784 20 5 EFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618284487 480606158 /nfs/dbraw/zinc/60/61/58/480606158.db2.gz MFEMZEUBPCAAEC-OCCSQVGLSA-N 1 0 329.404 2.530 20 5 EFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618306370 480613847 /nfs/dbraw/zinc/61/38/47/480613847.db2.gz AKRAMMUHMJOGPM-PXAZEXFGSA-N 1 0 340.383 2.725 20 5 EFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180934924 533795944 /nfs/dbraw/zinc/79/59/44/533795944.db2.gz LRNHSUMBJUNNDJ-OKILXGFUSA-N 1 0 348.447 2.665 20 5 EFBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000184195634 533805111 /nfs/dbraw/zinc/80/51/11/533805111.db2.gz JNZVIUFASREGRH-CQSZACIVSA-N 1 0 337.395 2.803 20 5 EFBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000184220534 533819560 /nfs/dbraw/zinc/81/95/60/533819560.db2.gz JFZTWCBKGOTGLE-ZDUSSCGKSA-N 1 0 337.395 2.660 20 5 EFBDRO Cc1c(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000159770229 533830268 /nfs/dbraw/zinc/83/02/68/533830268.db2.gz SKHLGVAVLXNUGL-AWEZNQCLSA-N 1 0 333.432 2.826 20 5 EFBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155081423 533852258 /nfs/dbraw/zinc/85/22/58/533852258.db2.gz VWDYWMZBPURPCN-ZDUSSCGKSA-N 1 0 343.383 2.771 20 5 EFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000177340172 533868094 /nfs/dbraw/zinc/86/80/94/533868094.db2.gz RMHNBQXCRRZFMO-UHFFFAOYSA-N 1 0 343.383 2.982 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158408121 533896146 /nfs/dbraw/zinc/89/61/46/533896146.db2.gz MTDMHWYZGZSXCH-GWCFXTLKSA-N 1 0 325.796 2.660 20 5 EFBDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178663071 533935720 /nfs/dbraw/zinc/93/57/20/533935720.db2.gz IOPRXJRJYQIFIY-ZDUSSCGKSA-N 1 0 348.424 2.990 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174682548 534005575 /nfs/dbraw/zinc/00/55/75/534005575.db2.gz CVMUZAUOXOEORT-NFAWXSAZSA-N 1 0 349.456 2.771 20 5 EFBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129785560 534066694 /nfs/dbraw/zinc/06/66/94/534066694.db2.gz LBUBWODDLPVKDR-JFIYKMOQSA-N 1 0 347.459 2.616 20 5 EFBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000174868264 534220660 /nfs/dbraw/zinc/22/06/60/534220660.db2.gz VRGZIQKZCXORFZ-BBRMVZONSA-N 1 0 332.429 2.970 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000178177856 534325370 /nfs/dbraw/zinc/32/53/70/534325370.db2.gz GCKZLUUECGOJSO-UHFFFAOYSA-N 1 0 327.388 2.770 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000364004825 534365009 /nfs/dbraw/zinc/36/50/09/534365009.db2.gz RDGGBHIGQXSAGK-CHWSQXEVSA-N 1 0 349.406 2.755 20 5 EFBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000352067167 534365980 /nfs/dbraw/zinc/36/59/80/534365980.db2.gz GYJYMNVBCWLKCO-GDBMZVCRSA-N 1 0 331.416 2.615 20 5 EFBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000090177806 518722485 /nfs/dbraw/zinc/72/24/85/518722485.db2.gz RSDAIHHNGZHDGS-CVEARBPZSA-N 1 0 345.443 2.905 20 5 EFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000183591107 534423490 /nfs/dbraw/zinc/42/34/90/534423490.db2.gz NEOJHOOHQITIQH-UHFFFAOYSA-N 1 0 347.419 2.720 20 5 EFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000183623145 534424759 /nfs/dbraw/zinc/42/47/59/534424759.db2.gz GWZJZMUMQJSYMF-UHFFFAOYSA-N 1 0 347.419 2.908 20 5 EFBDRO CC(C)[NH+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000078344877 519682999 /nfs/dbraw/zinc/68/29/99/519682999.db2.gz KVFHFLKUAQZCDA-ZDUSSCGKSA-N 1 0 345.403 2.732 20 5 EFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976373 520171561 /nfs/dbraw/zinc/17/15/61/520171561.db2.gz LVSKCEVCRLZZNK-AWEZNQCLSA-N 1 0 335.404 2.672 20 5 EFBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000181546238 534485221 /nfs/dbraw/zinc/48/52/21/534485221.db2.gz NGOKEKIZVPFUTK-QGZVFWFLSA-N 1 0 339.395 2.805 20 5 EFBDRO CC[NH+](CC)CCN(CCOC)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000192743128 520645225 /nfs/dbraw/zinc/64/52/25/520645225.db2.gz HZXKPZVVGXYDSY-UHFFFAOYSA-N 1 0 346.431 2.938 20 5 EFBDRO CCC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000089634252 521174574 /nfs/dbraw/zinc/17/45/74/521174574.db2.gz LLILCAAFOLCNJZ-DOMZBBRYSA-N 1 0 328.434 2.849 20 5 EFBDRO CCC(CC)(C[NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000236662840 521423956 /nfs/dbraw/zinc/42/39/56/521423956.db2.gz APIIJDNMVSIKTI-UHFFFAOYSA-N 1 0 336.436 2.587 20 5 EFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000245767789 521708424 /nfs/dbraw/zinc/70/84/24/521708424.db2.gz KONJBAWGRJFSEN-DZGCQCFKSA-N 1 0 336.436 2.847 20 5 EFBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072728294 521904883 /nfs/dbraw/zinc/90/48/83/521904883.db2.gz TXHROBUQJJBNEN-UHFFFAOYSA-N 1 0 328.372 2.978 20 5 EFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000176924724 521935942 /nfs/dbraw/zinc/93/59/42/521935942.db2.gz WUKWAEAWERWZKI-UHFFFAOYSA-N 1 0 334.763 2.957 20 5 EFBDRO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261634661 522020223 /nfs/dbraw/zinc/02/02/23/522020223.db2.gz HRVZOBRPSJMIRS-CYBMUJFWSA-N 1 0 327.384 2.848 20 5 EFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067207699 522059896 /nfs/dbraw/zinc/05/98/96/522059896.db2.gz KSNNOFRALQQGQL-QGZVFWFLSA-N 1 0 339.395 2.657 20 5 EFBDRO COc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000155088971 522063097 /nfs/dbraw/zinc/06/30/97/522063097.db2.gz IUXQSBKOITUGJS-UHFFFAOYSA-N 1 0 343.383 2.812 20 5 EFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000245911282 522350894 /nfs/dbraw/zinc/35/08/94/522350894.db2.gz FWDKUVMEGMRYRC-SWLSCSKDSA-N 1 0 338.404 2.595 20 5 EFBDRO C[N@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000104572319 522861433 /nfs/dbraw/zinc/86/14/33/522861433.db2.gz WYLWHNQIDYILRV-UHFFFAOYSA-N 1 0 346.431 2.773 20 5 EFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000135569921 522912139 /nfs/dbraw/zinc/91/21/39/522912139.db2.gz VPZZMCHYQDQPEA-INIZCTEOSA-N 1 0 330.388 2.717 20 5 EFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153608684 534721443 /nfs/dbraw/zinc/72/14/43/534721443.db2.gz ZXHJRPTUGRGQQW-AAEUAGOBSA-N 1 0 335.429 2.745 20 5 EFBDRO Cn1cc(C[NH2+]CCCC(C)(C)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174425918 534734269 /nfs/dbraw/zinc/73/42/69/534734269.db2.gz IWOLFYAXEBQGRJ-UHFFFAOYSA-N 1 0 346.431 2.884 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000181068447 534739150 /nfs/dbraw/zinc/73/91/50/534739150.db2.gz SEFYMGZRCWEHMV-UHFFFAOYSA-N 1 0 334.420 2.563 20 5 EFBDRO COc1ccc(C[NH2+]CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072713140 524070479 /nfs/dbraw/zinc/07/04/79/524070479.db2.gz XACCZZHCLYPSOW-UHFFFAOYSA-N 1 0 346.383 2.654 20 5 EFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000182103940 524301159 /nfs/dbraw/zinc/30/11/59/524301159.db2.gz PMLUAKMJQJWAMB-CQSZACIVSA-N 1 0 327.384 2.845 20 5 EFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000119838227 524337987 /nfs/dbraw/zinc/33/79/87/524337987.db2.gz KBWZXXXPBZMRMC-AWEZNQCLSA-N 1 0 332.404 2.914 20 5 EFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068211042 524338987 /nfs/dbraw/zinc/33/89/87/524338987.db2.gz OLHPIDOPVXIWAX-HUUCEWRRSA-N 1 0 349.431 2.600 20 5 EFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987264 524400146 /nfs/dbraw/zinc/40/01/46/524400146.db2.gz LVKINALBSVWZPQ-IRXDYDNUSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153987327 524578323 /nfs/dbraw/zinc/57/83/23/524578323.db2.gz LVKINALBSVWZPQ-IAGOWNOFSA-N 1 0 346.475 2.585 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000119852617 524633250 /nfs/dbraw/zinc/63/32/50/524633250.db2.gz GMRJOBWJJPHRHL-YOEHRIQHSA-N 1 0 339.395 2.845 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000194771526 524903510 /nfs/dbraw/zinc/90/35/10/524903510.db2.gz RJSSIVMAHOGJOK-OAHLLOKOSA-N 1 0 331.416 2.898 20 5 EFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000121658176 524905326 /nfs/dbraw/zinc/90/53/26/524905326.db2.gz HHWUYRBYNANFSM-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000066186115 525040048 /nfs/dbraw/zinc/04/00/48/525040048.db2.gz CVOPWZZWFSIVKD-BBRMVZONSA-N 1 0 332.404 2.536 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174465805 534838269 /nfs/dbraw/zinc/83/82/69/534838269.db2.gz RHNZIZIHBWZEQO-GFCCVEGCSA-N 1 0 336.779 2.726 20 5 EFBDRO C[S@@](=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116919517 525366771 /nfs/dbraw/zinc/36/67/71/525366771.db2.gz YTYIATSDJRUNLT-QFIPXVFZSA-N 1 0 339.442 2.577 20 5 EFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000181294249 525412684 /nfs/dbraw/zinc/41/26/84/525412684.db2.gz VLQYBKVRBQGWCI-SNVBAGLBSA-N 1 0 334.763 2.933 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000194936982 525563121 /nfs/dbraw/zinc/56/31/21/525563121.db2.gz DIHJQIJACIXPDA-CQSZACIVSA-N 1 0 345.403 2.732 20 5 EFBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000176752269 525701413 /nfs/dbraw/zinc/70/14/13/525701413.db2.gz DPZHRLLXPOHGQX-RHSMWYFYSA-N 1 0 348.447 2.946 20 5 EFBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261941666 525829799 /nfs/dbraw/zinc/82/97/99/525829799.db2.gz JKSGAQSGTGECJA-INIZCTEOSA-N 1 0 346.412 2.529 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000085621065 526057304 /nfs/dbraw/zinc/05/73/04/526057304.db2.gz IUAWNBMBTIWQPH-CQSZACIVSA-N 1 0 332.404 2.914 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1CC(C)C ZINC000072979326 526077922 /nfs/dbraw/zinc/07/79/22/526077922.db2.gz YYKGAOXOPRCWSN-MRXNPFEDSA-N 1 0 349.431 2.979 20 5 EFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193860501 526485712 /nfs/dbraw/zinc/48/57/12/526485712.db2.gz YFBOJOQBZGMOBM-CYBMUJFWSA-N 1 0 343.387 2.526 20 5 EFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCCC1 ZINC000247316842 526516976 /nfs/dbraw/zinc/51/69/76/526516976.db2.gz KQQKIISCYZWPPN-UHFFFAOYSA-N 1 0 348.447 2.779 20 5 EFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000152612730 526603883 /nfs/dbraw/zinc/60/38/83/526603883.db2.gz CEMOLTASFVFFBX-HNNXBMFYSA-N 1 0 331.416 2.661 20 5 EFBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183818928 527061054 /nfs/dbraw/zinc/06/10/54/527061054.db2.gz WXSINABRAKBZRS-UHFFFAOYSA-N 1 0 334.825 2.551 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000157238947 527246699 /nfs/dbraw/zinc/24/66/99/527246699.db2.gz NJSPPKQZAXFBCO-CQSZACIVSA-N 1 0 349.406 2.611 20 5 EFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000261814741 527341723 /nfs/dbraw/zinc/34/17/23/527341723.db2.gz GSHLKEJTGWZRRW-LBPRGKRZSA-N 1 0 333.417 2.568 20 5 EFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000065537874 527370992 /nfs/dbraw/zinc/37/09/92/527370992.db2.gz RDEPMNAQMCZDFV-UHFFFAOYSA-N 1 0 348.428 2.642 20 5 EFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000079483178 527371805 /nfs/dbraw/zinc/37/18/05/527371805.db2.gz FJARRPTVEZIZGO-KRWDZBQOSA-N 1 0 333.432 2.924 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183378153 527394210 /nfs/dbraw/zinc/39/42/10/527394210.db2.gz QVRHXRUKZTYMDT-ROUUACIJSA-N 1 0 346.358 2.921 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000246215580 527394835 /nfs/dbraw/zinc/39/48/35/527394835.db2.gz CZJIFXBWYHNZSA-LJQANCHMSA-N 1 0 341.411 2.841 20 5 EFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C1CC1 ZINC000090454152 527403335 /nfs/dbraw/zinc/40/33/35/527403335.db2.gz OMXKVRORKIQZFF-NVXWUHKLSA-N 1 0 326.400 2.786 20 5 EFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003485 527442872 /nfs/dbraw/zinc/44/28/72/527442872.db2.gz JZOQZIIONZNGTJ-HNNXBMFYSA-N 1 0 344.415 2.662 20 5 EFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000180990923 527520628 /nfs/dbraw/zinc/52/06/28/527520628.db2.gz XOBVEQZWGPEDHU-UHFFFAOYSA-N 1 0 346.431 2.561 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183616985 527664676 /nfs/dbraw/zinc/66/46/76/527664676.db2.gz LWLYDJOPOAZUOH-UHFFFAOYSA-N 1 0 335.408 2.576 20 5 EFBDRO CC(C)NC(=O)c1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000188516411 527723287 /nfs/dbraw/zinc/72/32/87/527723287.db2.gz AIHDUCHXBIUNRW-UHFFFAOYSA-N 1 0 348.447 2.654 20 5 EFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177858284 527810631 /nfs/dbraw/zinc/81/06/31/527810631.db2.gz AYDQUSJYGMCEBB-KBPBESRZSA-N 1 0 334.420 2.639 20 5 EFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000174474139 527833656 /nfs/dbraw/zinc/83/36/56/527833656.db2.gz PIIAXTIXMUYGMM-GFCCVEGCSA-N 1 0 337.445 2.731 20 5 EFBDRO CC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]CC1 ZINC000183317053 527974574 /nfs/dbraw/zinc/97/45/74/527974574.db2.gz GFYBIJGDHACQMH-UHFFFAOYSA-N 1 0 333.413 2.929 20 5 EFBDRO CC1(CNc2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129470651 527989818 /nfs/dbraw/zinc/98/98/18/527989818.db2.gz VKHSTWWUJLAAOM-UHFFFAOYSA-N 1 0 329.198 2.554 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132508582 528115540 /nfs/dbraw/zinc/11/55/40/528115540.db2.gz WVLOCDGZLWJTGP-GFCCVEGCSA-N 1 0 325.384 2.974 20 5 EFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190163665 528117007 /nfs/dbraw/zinc/11/70/07/528117007.db2.gz BDNPZSZDUUDFOT-GFCCVEGCSA-N 1 0 338.408 2.699 20 5 EFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178180423 528244134 /nfs/dbraw/zinc/24/41/34/528244134.db2.gz XMHJKGXVDFCCTC-AWEZNQCLSA-N 1 0 346.387 2.583 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000174133148 528288297 /nfs/dbraw/zinc/28/82/97/528288297.db2.gz ZCTFTFUZFMTVSL-LBPRGKRZSA-N 1 0 337.445 2.873 20 5 EFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191623805 528337862 /nfs/dbraw/zinc/33/78/62/528337862.db2.gz NVNLFEUGRWBWFA-UHFFFAOYSA-N 1 0 348.447 2.761 20 5 EFBDRO CCC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000132489895 528400032 /nfs/dbraw/zinc/40/00/32/528400032.db2.gz HLBAVPIZZJGHJY-AWEZNQCLSA-N 1 0 335.404 2.733 20 5 EFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175139641 528430024 /nfs/dbraw/zinc/43/00/24/528430024.db2.gz UGMDOROEEAQKDP-CQSZACIVSA-N 1 0 349.431 2.732 20 5 EFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000189863645 528438917 /nfs/dbraw/zinc/43/89/17/528438917.db2.gz BLSDENNRABPRPD-AWEZNQCLSA-N 1 0 336.436 2.947 20 5 EFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175139658 528441277 /nfs/dbraw/zinc/44/12/77/528441277.db2.gz UGMDOROEEAQKDP-AWEZNQCLSA-N 1 0 349.431 2.732 20 5 EFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000174832794 528915935 /nfs/dbraw/zinc/91/59/35/528915935.db2.gz CVATZQXLDMKVIM-UHFFFAOYSA-N 1 0 333.348 2.610 20 5 EFBDRO CCC[C@@H](CCO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000173847917 528936702 /nfs/dbraw/zinc/93/67/02/528936702.db2.gz HAVNQCWGFJHOOX-AWEZNQCLSA-N 1 0 346.431 2.884 20 5 EFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000181725952 529290850 /nfs/dbraw/zinc/29/08/50/529290850.db2.gz CYDKMYOCUITQED-LBPRGKRZSA-N 1 0 341.408 2.890 20 5 EFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181418587 529343113 /nfs/dbraw/zinc/34/31/13/529343113.db2.gz HMXCQVHFMFEASK-SNVBAGLBSA-N 1 0 345.346 2.656 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412114934 534941239 /nfs/dbraw/zinc/94/12/39/534941239.db2.gz SQXRNKSADFYKGI-CQSZACIVSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412114931 534941500 /nfs/dbraw/zinc/94/15/00/534941500.db2.gz SQXRNKSADFYKGI-AWEZNQCLSA-N 1 0 349.431 2.796 20 5 EFBDRO CC(C)Oc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000412272518 534941823 /nfs/dbraw/zinc/94/18/23/534941823.db2.gz FDGOPGAFHKIENJ-UHFFFAOYSA-N 1 0 349.431 2.938 20 5 EFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000411932643 534942633 /nfs/dbraw/zinc/94/26/33/534942633.db2.gz CHRRNCUHLUVXLW-CQSZACIVSA-N 1 0 335.404 2.548 20 5 EFBDRO CC(C)Oc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000411201243 534945781 /nfs/dbraw/zinc/94/57/81/534945781.db2.gz KWEAMAYWTXGFLD-UHFFFAOYSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000412372334 534948665 /nfs/dbraw/zinc/94/86/65/534948665.db2.gz ZNFYVEWMQFYFIY-ZDUSSCGKSA-N 1 0 337.420 2.841 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412134060 534949765 /nfs/dbraw/zinc/94/97/65/534949765.db2.gz LGWUKKMTNYQVDO-TZMCWYRMSA-N 1 0 335.404 2.595 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412182372 534949847 /nfs/dbraw/zinc/94/98/47/534949847.db2.gz JTRSIHYJORCMFI-IUODEOHRSA-N 1 0 347.415 2.595 20 5 EFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000360136614 535013683 /nfs/dbraw/zinc/01/36/83/535013683.db2.gz PDDWDJIBTQHKKO-CYBMUJFWSA-N 1 0 336.436 2.858 20 5 EFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1OCc1ccccc1 ZINC000346213699 535071388 /nfs/dbraw/zinc/07/13/88/535071388.db2.gz YSZGPZGCOGUEHR-IAGOWNOFSA-N 1 0 344.415 2.765 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347426253 535075678 /nfs/dbraw/zinc/07/56/78/535075678.db2.gz WCSFMBLCWJTIOA-AWEZNQCLSA-N 1 0 343.431 2.740 20 5 EFBDRO CC(C)[N@@H+](Cc1cccnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343724793 535108395 /nfs/dbraw/zinc/10/83/95/535108395.db2.gz YYYABCXRNAGJJH-INIZCTEOSA-N 1 0 345.399 2.640 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194021858 535263912 /nfs/dbraw/zinc/26/39/12/535263912.db2.gz KAOXJGFXCTURIS-ZDUSSCGKSA-N 1 0 336.392 2.667 20 5 EFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414945364 535307441 /nfs/dbraw/zinc/30/74/41/535307441.db2.gz IDYCZVFNPLXFFS-CQSZACIVSA-N 1 0 346.334 2.691 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000422839302 535428184 /nfs/dbraw/zinc/42/81/84/535428184.db2.gz ZTIGKRCBKPIYDB-HNNXBMFYSA-N 1 0 335.404 2.631 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344757952 535480503 /nfs/dbraw/zinc/48/05/03/535480503.db2.gz ITVONHFRJODVJR-OAHLLOKOSA-N 1 0 349.431 2.663 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000346459593 535489064 /nfs/dbraw/zinc/48/90/64/535489064.db2.gz IBTSBFNVSBVZPH-OAHLLOKOSA-N 1 0 346.431 2.773 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000341703200 535573122 /nfs/dbraw/zinc/57/31/22/535573122.db2.gz QRCHBWHYTKLMJF-GFCCVEGCSA-N 1 0 325.434 2.533 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000345032477 535594029 /nfs/dbraw/zinc/59/40/29/535594029.db2.gz LQTBNPMCQNTSBM-UKRRQHHQSA-N 1 0 348.447 2.807 20 5 EFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000266334428 535595678 /nfs/dbraw/zinc/59/56/78/535595678.db2.gz YUUYAWJHOYECNF-CYBMUJFWSA-N 1 0 344.415 2.880 20 5 EFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359541376 535605247 /nfs/dbraw/zinc/60/52/47/535605247.db2.gz DDPKWUHQHQGOHS-UKRRQHHQSA-N 1 0 345.399 2.976 20 5 EFBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000266019958 535648603 /nfs/dbraw/zinc/64/86/03/535648603.db2.gz RAJZTHWTZPFRSC-SJORKVTESA-N 1 0 334.416 2.655 20 5 EFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266288520 535662212 /nfs/dbraw/zinc/66/22/12/535662212.db2.gz DBUDSGZGQCSPRG-CQSZACIVSA-N 1 0 331.372 2.897 20 5 EFBDRO C[NH+](C)CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346442418 535831169 /nfs/dbraw/zinc/83/11/69/535831169.db2.gz ZJSHPCJHDMLSLX-UHFFFAOYSA-N 1 0 348.428 2.790 20 5 EFBDRO CC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000366573220 535878293 /nfs/dbraw/zinc/87/82/93/535878293.db2.gz PMLDOHNBINOBCS-HNNXBMFYSA-N 1 0 325.796 2.596 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000356224149 535893231 /nfs/dbraw/zinc/89/32/31/535893231.db2.gz QVACMXXNFDYURU-UHFFFAOYSA-N 1 0 344.415 2.690 20 5 EFBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000414124018 535903833 /nfs/dbraw/zinc/90/38/33/535903833.db2.gz BQTJADXJILWWST-GJZGRUSLSA-N 1 0 340.445 2.783 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000340925863 535924963 /nfs/dbraw/zinc/92/49/63/535924963.db2.gz VKVBCAWGSDOXKM-CQSZACIVSA-N 1 0 325.384 2.830 20 5 EFBDRO CC[C@H](O)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344475521 535965274 /nfs/dbraw/zinc/96/52/74/535965274.db2.gz DFOHOQVQEDQCMM-INIZCTEOSA-N 1 0 332.404 2.636 20 5 EFBDRO C[NH+](C)C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000264938866 535966053 /nfs/dbraw/zinc/96/60/53/535966053.db2.gz HJWBOYKOXKXKQF-SNVBAGLBSA-N 1 0 328.210 2.745 20 5 EFBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419369765 536307982 /nfs/dbraw/zinc/30/79/82/536307982.db2.gz GBFCFNYFKRHQFF-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000344693321 536351122 /nfs/dbraw/zinc/35/11/22/536351122.db2.gz RXTXHPSZIYEXQY-MRXNPFEDSA-N 1 0 348.447 2.633 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000351150672 536561171 /nfs/dbraw/zinc/56/11/71/536561171.db2.gz WLZMQRYCJDXCDR-IAQYHMDHSA-N 1 0 338.795 2.811 20 5 EFBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000351144413 536561480 /nfs/dbraw/zinc/56/14/80/536561480.db2.gz MJBSDHAGZFYCRS-QMTHXVAHSA-N 1 0 338.795 2.848 20 5 EFBDRO COc1cc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1OC ZINC000348902763 536567261 /nfs/dbraw/zinc/56/72/61/536567261.db2.gz DZTMQISEIKKMER-UHFFFAOYSA-N 1 0 345.399 2.886 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000367276597 536587230 /nfs/dbraw/zinc/58/72/30/536587230.db2.gz DCQAURCYZPSULS-CQSZACIVSA-N 1 0 347.415 2.612 20 5 EFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@@H]1CCCC2 ZINC000342185159 536587872 /nfs/dbraw/zinc/58/78/72/536587872.db2.gz ZTKLRPOTGKSBEK-KSSFIOAISA-N 1 0 348.399 2.769 20 5 EFBDRO COC[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364269746 536741171 /nfs/dbraw/zinc/74/11/71/536741171.db2.gz HDDWOTMYQAEJKR-CYBMUJFWSA-N 1 0 346.387 2.893 20 5 EFBDRO COCCN(C)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359790566 536804585 /nfs/dbraw/zinc/80/45/85/536804585.db2.gz CQAZOUFEYVKXIH-UHFFFAOYSA-N 1 0 344.415 2.671 20 5 EFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344473466 536816344 /nfs/dbraw/zinc/81/63/44/536816344.db2.gz LRGZWWACCSLDKE-FDRIWYBQSA-N 1 0 335.404 2.571 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000411951243 536834098 /nfs/dbraw/zinc/83/40/98/536834098.db2.gz PUQCRDXSCXCEAM-PIGZYNQJSA-N 1 0 346.387 2.938 20 5 EFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411972698 536834922 /nfs/dbraw/zinc/83/49/22/536834922.db2.gz QIMQVONTLVVPHN-SJKOYZFVSA-N 1 0 335.404 2.635 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419895902 536885802 /nfs/dbraw/zinc/88/58/02/536885802.db2.gz PKJRXLRWFTZXPS-UHFFFAOYSA-N 1 0 335.404 2.646 20 5 EFBDRO COc1cccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000195320690 537084706 /nfs/dbraw/zinc/08/47/06/537084706.db2.gz QWQJPSOVIDSNJW-UHFFFAOYSA-N 1 0 335.404 2.598 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000725263728 550198757 /nfs/dbraw/zinc/19/87/57/550198757.db2.gz DMLKFLTVIUTPNQ-LLVKDONJSA-N 1 0 342.237 2.883 20 5 EFBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000761520258 576174203 /nfs/dbraw/zinc/17/42/03/576174203.db2.gz NMQVGHHSSNVZCI-UHFFFAOYSA-N 1 0 325.718 2.832 20 5 EFBDRO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000754364013 575425215 /nfs/dbraw/zinc/42/52/15/575425215.db2.gz DZIKZIKCFWJUQS-STQMWFEESA-N 1 0 337.395 2.828 20 5 EFBDRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000754381193 575427485 /nfs/dbraw/zinc/42/74/85/575427485.db2.gz BKPGLNFDPIQWSC-DGCLKSJQSA-N 1 0 349.412 2.697 20 5 EFBDRO C[C@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000754397882 575431963 /nfs/dbraw/zinc/43/19/63/575431963.db2.gz XTNZWJUPWNNVRF-SMDDNHRTSA-N 1 0 349.412 2.697 20 5 EFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000754520724 575446358 /nfs/dbraw/zinc/44/63/58/575446358.db2.gz WDUUZBFQQGTLCG-RISCZKNCSA-N 1 0 341.795 2.734 20 5 EFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000755633171 575611316 /nfs/dbraw/zinc/61/13/16/575611316.db2.gz PBFUKAOMLGGYHB-UHFFFAOYSA-N 1 0 335.335 2.531 20 5 EFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC000756714026 575780235 /nfs/dbraw/zinc/78/02/35/575780235.db2.gz LDDWYGZPGQHIJF-CYBMUJFWSA-N 1 0 335.379 2.538 20 5 EFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757795346 575853195 /nfs/dbraw/zinc/85/31/95/575853195.db2.gz KXZMNGFCWGPOSJ-ZANVPECISA-N 1 0 338.795 2.852 20 5 EFBDRO COC(C)(C)CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000758815517 575877868 /nfs/dbraw/zinc/87/78/68/575877868.db2.gz JLPGYRPSOPENCL-UHFFFAOYSA-N 1 0 329.784 2.544 20 5 EFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760482459 576031531 /nfs/dbraw/zinc/03/15/31/576031531.db2.gz LEGIBWHAUYZBIT-UHFFFAOYSA-N 1 0 329.347 2.974 20 5 EFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000760576871 576049107 /nfs/dbraw/zinc/04/91/07/576049107.db2.gz MXSVBVULXIPAGJ-WCQYABFASA-N 1 0 347.387 2.678 20 5 EFBDRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000761040720 576103312 /nfs/dbraw/zinc/10/33/12/576103312.db2.gz JLUFATRTCZEBCF-SNVBAGLBSA-N 1 0 331.294 2.808 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000761907453 576227025 /nfs/dbraw/zinc/22/70/25/576227025.db2.gz AHMZXUFRTUGQBG-VIFPVBQESA-N 1 0 329.198 2.649 20 5 EFBDRO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000763407605 576376132 /nfs/dbraw/zinc/37/61/32/576376132.db2.gz NOHVOWQUNQKBFB-QWRGUYRKSA-N 1 0 341.358 2.866 20 5 EFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000763492645 576379223 /nfs/dbraw/zinc/37/92/23/576379223.db2.gz OKYXSWDNNPQAPN-SJORKVTESA-N 1 0 333.432 2.636 20 5 EFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000764956187 576528286 /nfs/dbraw/zinc/52/82/86/576528286.db2.gz HPEVCTKFLWAZFQ-ZDUSSCGKSA-N 1 0 338.371 2.730 20 5 EFBDRO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000764959122 576528877 /nfs/dbraw/zinc/52/88/77/576528877.db2.gz ZEZIYJDKDKVSAC-MRXNPFEDSA-N 1 0 338.371 2.811 20 5 EFBDRO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000764959115 576528983 /nfs/dbraw/zinc/52/89/83/576528983.db2.gz ZEZIYJDKDKVSAC-INIZCTEOSA-N 1 0 338.371 2.811 20 5 EFBDRO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000765007436 576535941 /nfs/dbraw/zinc/53/59/41/576535941.db2.gz DOPGTPURHJGPDU-MRXNPFEDSA-N 1 0 343.431 2.771 20 5 EFBDRO Cc1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765026100 576538078 /nfs/dbraw/zinc/53/80/78/576538078.db2.gz QYXSNLLWIFKQBF-HNNXBMFYSA-N 1 0 343.431 2.628 20 5 EFBDRO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765442244 577042614 /nfs/dbraw/zinc/04/26/14/577042614.db2.gz UGWHWWNZUMPONO-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO CCC[NH+]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000765463498 577044360 /nfs/dbraw/zinc/04/43/60/577044360.db2.gz UAVMVAXWHLBTCN-UHFFFAOYSA-N 1 0 341.795 2.567 20 5 EFBDRO CCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765765546 577074056 /nfs/dbraw/zinc/07/40/56/577074056.db2.gz GSCFJDNOZDUFIS-HNNXBMFYSA-N 1 0 334.464 2.884 20 5 EFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2CCO[C@H]21 ZINC000766140937 577113423 /nfs/dbraw/zinc/11/34/23/577113423.db2.gz MIRSVNNQLZXBBK-KZNAEPCWSA-N 1 0 345.443 2.967 20 5 EFBDRO CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766359390 577139646 /nfs/dbraw/zinc/13/96/46/577139646.db2.gz CUECPZMUWVYMHK-LSDHHAIUSA-N 1 0 335.448 2.950 20 5 EFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ncccn1 ZINC000766518323 577160831 /nfs/dbraw/zinc/16/08/31/577160831.db2.gz RQAHJGGBVZYQDA-AWEZNQCLSA-N 1 0 329.404 2.798 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766554155 577166186 /nfs/dbraw/zinc/16/61/86/577166186.db2.gz FWEDZFGGNARADR-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000766556217 577166249 /nfs/dbraw/zinc/16/62/49/577166249.db2.gz NKLLANIBUHSYFO-MNOVXSKESA-N 1 0 325.796 2.803 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000766607590 577170499 /nfs/dbraw/zinc/17/04/99/577170499.db2.gz GSAJZOUJMHFGNT-UHFFFAOYSA-N 1 0 330.363 2.888 20 5 EFBDRO CN(CCOC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767771772 577233178 /nfs/dbraw/zinc/23/31/78/577233178.db2.gz LLJPNBGLDRJHKP-UHFFFAOYSA-N 1 0 333.392 2.558 20 5 EFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000768480475 577277657 /nfs/dbraw/zinc/27/76/57/577277657.db2.gz RWMIWLMXPXSSNS-IUODEOHRSA-N 1 0 334.445 2.708 20 5 EFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000768729179 577297542 /nfs/dbraw/zinc/29/75/42/577297542.db2.gz KKIGYTROFOJTQX-UHFFFAOYSA-N 1 0 337.807 2.949 20 5 EFBDRO C[N@H+](CCOC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769115734 577335984 /nfs/dbraw/zinc/33/59/84/577335984.db2.gz RAESWZRPSXUNAL-UHFFFAOYSA-N 1 0 346.358 2.952 20 5 EFBDRO C[NH+](C)C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403950 577359804 /nfs/dbraw/zinc/35/98/04/577359804.db2.gz LUCFNZFCPROJAP-NSHDSACASA-N 1 0 342.237 2.741 20 5 EFBDRO CC1(C)CCc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000769423684 577361516 /nfs/dbraw/zinc/36/15/16/577361516.db2.gz NOZGEKNEDULPKX-UHFFFAOYSA-N 1 0 330.388 2.685 20 5 EFBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](C)C(C)C ZINC000726589852 577374275 /nfs/dbraw/zinc/37/42/75/577374275.db2.gz YWBFSUSWWNYHLD-ZDUSSCGKSA-N 1 0 348.403 2.687 20 5 EFBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000769706601 577379907 /nfs/dbraw/zinc/37/99/07/577379907.db2.gz BDUJETBTUVCFOA-UHFFFAOYSA-N 1 0 337.395 2.894 20 5 EFBDRO Cc1c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000769939721 577394590 /nfs/dbraw/zinc/39/45/90/577394590.db2.gz AGURYVFFSWPLNJ-NVXWUHKLSA-N 1 0 344.415 2.582 20 5 EFBDRO CN(CC[N@H+](C)C1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770222305 577407665 /nfs/dbraw/zinc/40/76/65/577407665.db2.gz OFYKFOMFDSJLEV-UHFFFAOYSA-N 1 0 328.210 2.888 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770752891 581133595 /nfs/dbraw/zinc/13/35/95/581133595.db2.gz WKODOXSZASYMCP-UKRRQHHQSA-N 1 0 326.780 2.676 20 5 EFBDRO C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000771387366 581206414 /nfs/dbraw/zinc/20/64/14/581206414.db2.gz JTIKAVWYGPKGGU-CABCVRRESA-N 1 0 333.432 2.968 20 5 EFBDRO Cc1nccn1CCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000771866918 581252483 /nfs/dbraw/zinc/25/24/83/581252483.db2.gz FDGOZUGPHCZCOU-UHFFFAOYSA-N 1 0 344.371 2.557 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000773064850 581392885 /nfs/dbraw/zinc/39/28/85/581392885.db2.gz IQFLWUZKARRUJK-KRWDZBQOSA-N 1 0 341.415 2.954 20 5 EFBDRO Cc1ncc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000774266933 581488407 /nfs/dbraw/zinc/48/84/07/581488407.db2.gz SRNQBNKTVBYAFU-KBPBESRZSA-N 1 0 335.433 2.872 20 5 EFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2ccc(F)cc2)n1 ZINC000774400026 581490790 /nfs/dbraw/zinc/49/07/90/581490790.db2.gz KURBOBFWQXPMTJ-HRCADAONSA-N 1 0 348.378 2.737 20 5 EFBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774825569 581501729 /nfs/dbraw/zinc/50/17/29/581501729.db2.gz HOQDSIZPXJRAPB-UHFFFAOYSA-N 1 0 336.392 2.808 20 5 EFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774908236 581503807 /nfs/dbraw/zinc/50/38/07/581503807.db2.gz HVOGWOPUSFNQDF-CQSZACIVSA-N 1 0 348.403 2.667 20 5 EFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000822229228 606484879 /nfs/dbraw/zinc/48/48/79/606484879.db2.gz PHLTWHZQVGCMKA-SNVBAGLBSA-N 1 0 344.400 2.996 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822271373 606999509 /nfs/dbraw/zinc/99/95/09/606999509.db2.gz YIJYTCMQAHWUSJ-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000826236222 608488860 /nfs/dbraw/zinc/48/88/60/608488860.db2.gz CTMUGFWKBMFCRM-LBPRGKRZSA-N 1 0 338.371 2.934 20 5 EFBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000850400287 1250466648 /nfs/dbraw/zinc/46/66/48/1250466648.db2.gz FATZYTXGCRSHNL-INIZCTEOSA-N 1 0 342.823 2.906 20 5 EFBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000850422832 1250480410 /nfs/dbraw/zinc/48/04/10/1250480410.db2.gz FCLYWAWKWHROOA-GFCCVEGCSA-N 1 0 343.383 2.814 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000850438191 1250486802 /nfs/dbraw/zinc/48/68/02/1250486802.db2.gz WLKRMGBHDJMKDZ-RKFFSXRUSA-N 1 0 328.434 2.801 20 5 EFBDRO CCOC(=O)NC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000850448745 1250489613 /nfs/dbraw/zinc/48/96/13/1250489613.db2.gz OXBRSYINFNASTO-UHFFFAOYSA-N 1 0 335.404 2.784 20 5 EFBDRO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000850549834 1250531896 /nfs/dbraw/zinc/53/18/96/1250531896.db2.gz IJPGLCPHUVEGKS-HIFRSBDPSA-N 1 0 335.404 2.594 20 5 EFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1SCCS1 ZINC000850561847 1250534637 /nfs/dbraw/zinc/53/46/37/1250534637.db2.gz PMEJGSUVHWDCTJ-JTQLQIEISA-N 1 0 341.458 2.708 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850574622 1250544257 /nfs/dbraw/zinc/54/42/57/1250544257.db2.gz ZVLZFWAFTCUXTO-ZJNRKIDTSA-N 1 0 329.400 2.992 20 5 EFBDRO O=[N+]([O-])c1cc(CN2CCC23CC[NH2+]CC3)ccc1Br ZINC000718699342 1251372329 /nfs/dbraw/zinc/37/23/29/1251372329.db2.gz QKUAKAXRQDWPLE-UHFFFAOYSA-N 1 0 340.221 2.685 20 5 EFBDRO NC(=O)CN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000179834686 1252133448 /nfs/dbraw/zinc/13/34/48/1252133448.db2.gz ZPSXXCNFYKZRPZ-UHFFFAOYSA-N 1 0 333.435 2.596 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000996429657 1255311633 /nfs/dbraw/zinc/31/16/33/1255311633.db2.gz RQZCJTFYQGQRFU-IAGOWNOFSA-N 1 0 337.464 2.593 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107228546 1255429664 /nfs/dbraw/zinc/42/96/64/1255429664.db2.gz DAMMBHFCLLEORJ-ONEGZZNKSA-N 1 0 346.431 2.555 20 5 EFBDRO O=C(CCC[NH+]1CCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107229966 1255431811 /nfs/dbraw/zinc/43/18/11/1255431811.db2.gz QOGHMSVUWNCYRS-OWOJBTEDSA-N 1 0 346.431 2.555 20 5 EFBDRO CC(C)(C(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001107463195 1255902664 /nfs/dbraw/zinc/90/26/64/1255902664.db2.gz FLZJNQFQKXKKOD-ONEGZZNKSA-N 1 0 346.431 2.554 20 5 EFBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922430564 1266001634 /nfs/dbraw/zinc/00/16/34/1266001634.db2.gz DQIABODXJSRIFK-UHFFFAOYSA-N 1 0 328.294 2.908 20 5 EFBDRO Cc1c(F)cccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127822909 1256402147 /nfs/dbraw/zinc/40/21/47/1256402147.db2.gz SJSRKAIOTZYKNL-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO O=C(CC1CC1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997466533 1257628049 /nfs/dbraw/zinc/62/80/49/1257628049.db2.gz NIZDWAURULTNRT-UHFFFAOYSA-N 1 0 337.445 2.785 20 5 EFBDRO O=C(/C=C/C1CC1)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997637944 1258141816 /nfs/dbraw/zinc/14/18/16/1258141816.db2.gz OWDLQTXEOYWQGD-ONEGZZNKSA-N 1 0 349.456 2.951 20 5 EFBDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922538348 1266219200 /nfs/dbraw/zinc/21/92/00/1266219200.db2.gz QDHRTNWKKKXQNF-GFCCVEGCSA-N 1 0 348.428 2.739 20 5 EFBDRO CC(C)[N@H+](C)CC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089943363 1260725133 /nfs/dbraw/zinc/72/51/33/1260725133.db2.gz FRBXINZIORFFNI-UHFFFAOYSA-N 1 0 348.447 2.633 20 5 EFBDRO CC[NH+](CC)CC(=O)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001089943868 1260906537 /nfs/dbraw/zinc/90/65/37/1260906537.db2.gz OBMUOGFLEZMUJX-UHFFFAOYSA-N 1 0 348.447 2.635 20 5 EFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923310539 1261460380 /nfs/dbraw/zinc/46/03/80/1261460380.db2.gz JEDCVZVCVWZDRD-NFAWXSAZSA-N 1 0 349.456 2.771 20 5 EFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Br ZINC000923366965 1261561189 /nfs/dbraw/zinc/56/11/89/1261561189.db2.gz BQWBKRMRCXMJEW-GFCCVEGCSA-N 1 0 330.226 2.820 20 5 EFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923397739 1261605440 /nfs/dbraw/zinc/60/54/40/1261605440.db2.gz GFUYTENTTBRXIM-RISCZKNCSA-N 1 0 340.221 2.671 20 5 EFBDRO O=C(NC1CC[NH+](CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789928 1264060523 /nfs/dbraw/zinc/06/05/23/1264060523.db2.gz XYIKAHCJTRFNAC-IAGOWNOFSA-N 1 0 337.464 2.593 20 5 EFBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001128288876 1264138929 /nfs/dbraw/zinc/13/89/29/1264138929.db2.gz BQENMFUMJMPIQA-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO COc1cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000824765673 1278270643 /nfs/dbraw/zinc/27/06/43/1278270643.db2.gz OMVNBBMWCAWFID-LBPRGKRZSA-N 1 0 335.187 2.983 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824773239 1278275905 /nfs/dbraw/zinc/27/59/05/1278275905.db2.gz MRNPDANHFWMGRQ-NSHDSACASA-N 1 0 337.445 2.919 20 5 EFBDRO CC1CCC([NH+]2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)CC1 ZINC000734481975 1266986873 /nfs/dbraw/zinc/98/68/73/1266986873.db2.gz GFDMZLXLTRCFCL-UHFFFAOYSA-N 1 0 343.431 2.943 20 5 EFBDRO C[NH+](C)CCCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000791794489 1278353587 /nfs/dbraw/zinc/35/35/87/1278353587.db2.gz OBBXFMLDUVXDTL-UHFFFAOYSA-N 1 0 335.385 2.827 20 5 EFBDRO CN(C(=O)c1ccc[nH]1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005107370 1268864184 /nfs/dbraw/zinc/86/41/84/1268864184.db2.gz PIUJVDNUYUVXFM-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO CN(C(=O)c1ccoc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005111835 1268870203 /nfs/dbraw/zinc/87/02/03/1268870203.db2.gz OUUIFSXBIUYIDI-UHFFFAOYSA-N 1 0 343.383 2.924 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000740738855 1269018488 /nfs/dbraw/zinc/01/84/88/1269018488.db2.gz RSABUUSDXSCDPV-UHFFFAOYSA-N 1 0 348.447 2.609 20 5 EFBDRO CC(C)OCCC[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740859355 1269136360 /nfs/dbraw/zinc/13/63/60/1269136360.db2.gz QBNWWHUGKCGVER-UHFFFAOYSA-N 1 0 333.392 2.558 20 5 EFBDRO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740860002 1269138127 /nfs/dbraw/zinc/13/81/27/1269138127.db2.gz OFIQRTUKVZYUHQ-BMFZPTHFSA-N 1 0 336.436 2.891 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccco1 ZINC001086012650 1269519401 /nfs/dbraw/zinc/51/94/01/1269519401.db2.gz IMGUCTGMQWMOMK-KLPPZKSPSA-N 1 0 335.385 2.548 20 5 EFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cccs1 ZINC001086018158 1269540252 /nfs/dbraw/zinc/54/02/52/1269540252.db2.gz GFJMNLTUIABMRO-OKILXGFUSA-N 1 0 345.424 2.955 20 5 EFBDRO O=[N+]([O-])c1cn(C[NH+](CC2CC2)CC2CC2)nc1-c1ccncc1 ZINC000742150365 1269914177 /nfs/dbraw/zinc/91/41/77/1269914177.db2.gz XZDBRAOXZFZMMD-UHFFFAOYSA-N 1 0 327.388 2.933 20 5 EFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000742399908 1270015428 /nfs/dbraw/zinc/01/54/28/1270015428.db2.gz YIOFKHKBJLPQBP-ZDUSSCGKSA-N 1 0 348.403 2.518 20 5 EFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000742392344 1270021168 /nfs/dbraw/zinc/02/11/68/1270021168.db2.gz IYJCSKCDVOLRSA-OAHLLOKOSA-N 1 0 335.404 2.659 20 5 EFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005381499 1270239947 /nfs/dbraw/zinc/23/99/47/1270239947.db2.gz MBTJHVIOGRJPLJ-IAGOWNOFSA-N 1 0 337.464 2.545 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001086172515 1270344068 /nfs/dbraw/zinc/34/40/68/1270344068.db2.gz AXVPCLYPVLJXSN-GASCZTMLSA-N 1 0 343.383 2.794 20 5 EFBDRO CN(C(=O)c1cc[nH]c1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005429577 1270483830 /nfs/dbraw/zinc/48/38/30/1270483830.db2.gz PDARFJCQEVARRL-UHFFFAOYSA-N 1 0 342.399 2.660 20 5 EFBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000743249159 1270487463 /nfs/dbraw/zinc/48/74/63/1270487463.db2.gz LAGVVYYOPXCKIH-ROUUACIJSA-N 1 0 330.384 2.568 20 5 EFBDRO Cc1cc[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086355990 1271126669 /nfs/dbraw/zinc/12/66/69/1271126669.db2.gz RZIFREHNVPGVQK-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000843883668 1278632079 /nfs/dbraw/zinc/63/20/79/1278632079.db2.gz JEDXRPVTKPHSAV-DGCLKSJQSA-N 1 0 335.379 2.741 20 5 EFBDRO Cc1coc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001086453968 1271551027 /nfs/dbraw/zinc/55/10/27/1271551027.db2.gz LKMAEDIHURICLY-CTYIDZIISA-N 1 0 343.383 2.794 20 5 EFBDRO Cc1ncn(-c2nccc3c2cccc3[N+](=O)[O-])c1CSCC[NH3+] ZINC001168783493 1272270740 /nfs/dbraw/zinc/27/07/40/1272270740.db2.gz JEHLGZZPDHUQHS-UHFFFAOYSA-N 1 0 343.412 2.829 20 5 EFBDRO Cc1ncn(-c2cc(F)cc(F)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168787484 1272275112 /nfs/dbraw/zinc/27/51/12/1272275112.db2.gz GFLQAGZGMXDJNP-UHFFFAOYSA-N 1 0 328.344 2.559 20 5 EFBDRO Cc1ncn(-c2cc3cccnc3c([N+](=O)[O-])c2)c1CSCC[NH3+] ZINC001168790867 1272282028 /nfs/dbraw/zinc/28/20/28/1272282028.db2.gz XNFXZHXYJURIPX-UHFFFAOYSA-N 1 0 343.412 2.829 20 5 EFBDRO CC(F)(F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034579632 1272290298 /nfs/dbraw/zinc/29/02/98/1272290298.db2.gz BCZRXZAYCPXGPX-JOCQHMNTSA-N 1 0 341.358 2.767 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001034577509 1272322947 /nfs/dbraw/zinc/32/29/47/1272322947.db2.gz KVRUPOLSQZYHRK-WKILWMFISA-N 1 0 331.416 2.912 20 5 EFBDRO [NH3+]CCN(c1cccnc1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001168837183 1272437602 /nfs/dbraw/zinc/43/76/02/1272437602.db2.gz VIFIAAPFTLVLON-UHFFFAOYSA-N 1 0 327.266 2.500 20 5 EFBDRO Cc1c(-n2cnc3ccc(C[NH3+])cc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168843689 1272442448 /nfs/dbraw/zinc/44/24/48/1272442448.db2.gz BVXHWDLRHNULJW-UHFFFAOYSA-N 1 0 327.300 2.609 20 5 EFBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])cc(Br)n3)c2c1 ZINC001168844737 1272455311 /nfs/dbraw/zinc/45/53/11/1272455311.db2.gz QCTZEEVRBPWEBU-UHFFFAOYSA-N 1 0 348.160 2.550 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)COC2)C1 ZINC001168976709 1272548588 /nfs/dbraw/zinc/54/85/88/1272548588.db2.gz FPPPZGDYPLHNGK-NWDGAFQWSA-N 1 0 344.333 2.966 20 5 EFBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978917 1272550240 /nfs/dbraw/zinc/55/02/40/1272550240.db2.gz VJFRAKRTDQZWBZ-GBJTYRQASA-N 1 0 341.452 2.857 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCCC2)C1 ZINC001168983355 1272552764 /nfs/dbraw/zinc/55/27/64/1272552764.db2.gz JQVIDOKFPVUPCT-FHWLQOOXSA-N 1 0 331.460 2.729 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168956956 1272555370 /nfs/dbraw/zinc/55/53/70/1272555370.db2.gz CZXUJMRHWFOHCC-KKUMJFAQSA-N 1 0 341.452 2.811 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001168957790 1272555588 /nfs/dbraw/zinc/55/55/88/1272555588.db2.gz ITZJQGRKJPLZIU-PWSUYJOCSA-N 1 0 333.310 2.558 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC001168961240 1272556714 /nfs/dbraw/zinc/55/67/14/1272556714.db2.gz IGTQEEOGTZAXOX-SUNKGSAMSA-N 1 0 343.221 2.518 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168963669 1272557626 /nfs/dbraw/zinc/55/76/26/1272557626.db2.gz PLZVRSYEJIJPFV-SOUVJXGZSA-N 1 0 341.452 2.669 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967890 1272559510 /nfs/dbraw/zinc/55/95/10/1272559510.db2.gz UJHIAOVYUJTRLQ-SOUVJXGZSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965304 1272559555 /nfs/dbraw/zinc/55/95/55/1272559555.db2.gz ZKJGHVOIUHTHDZ-ZNMIVQPWSA-N 1 0 341.452 2.811 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168967027 1272559785 /nfs/dbraw/zinc/55/97/85/1272559785.db2.gz MTKBFFHMLFUWRW-ZQIUZPCESA-N 1 0 341.452 2.811 20 5 EFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970413 1272561265 /nfs/dbraw/zinc/56/12/65/1272561265.db2.gz HBZNIBIDYTVDGG-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)COC2)C1 ZINC001168973345 1272563593 /nfs/dbraw/zinc/56/35/93/1272563593.db2.gz OLGZFIQRYKNYAA-FZMZJTMJSA-N 1 0 344.333 2.966 20 5 EFBDRO CCOC(=O)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168973868 1272564325 /nfs/dbraw/zinc/56/43/25/1272564325.db2.gz OYPFVYFJUOWRJS-WMLDXEAASA-N 1 0 346.427 2.512 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccc(F)cc2)C1 ZINC001168993348 1272569494 /nfs/dbraw/zinc/56/94/94/1272569494.db2.gz MVEIMMVDLHSJJN-GOEBONIOSA-N 1 0 332.379 2.606 20 5 EFBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc(F)cc1 ZINC001168995164 1272571920 /nfs/dbraw/zinc/57/19/20/1272571920.db2.gz RWDJEGCKSFQTDG-MAZHCROVSA-N 1 0 337.395 2.824 20 5 EFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168997130 1272572879 /nfs/dbraw/zinc/57/28/79/1272572879.db2.gz BQVJSKXETJSKPZ-SRCQZFHVSA-N 1 0 332.400 2.886 20 5 EFBDRO COc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCOCC2)c1 ZINC001168997176 1272573577 /nfs/dbraw/zinc/57/35/77/1272573577.db2.gz YCRRMFWQIJPGAT-GDBMZVCRSA-N 1 0 334.416 2.736 20 5 EFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CCCC1 ZINC001168998393 1272574569 /nfs/dbraw/zinc/57/45/69/1272574569.db2.gz MHEOTWMAMJBZGL-MWQQHZPXSA-N 1 0 337.464 2.639 20 5 EFBDRO COc1ccc(CC2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCOCC2)cc1 ZINC001168998547 1272575150 /nfs/dbraw/zinc/57/51/50/1272575150.db2.gz OLWOUTFIJNCHBT-DLBZAZTESA-N 1 0 348.443 2.822 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)ccc2Br)C1 ZINC001169000710 1272576552 /nfs/dbraw/zinc/57/65/52/1272576552.db2.gz AJDISHTUTACZET-PWSUYJOCSA-N 1 0 343.221 2.732 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCOCC2)C1 ZINC001169000948 1272576999 /nfs/dbraw/zinc/57/69/99/1272576999.db2.gz ZSXVKOIOJWDTPD-HOCLYGCPSA-N 1 0 336.407 2.952 20 5 EFBDRO COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169000737 1272577155 /nfs/dbraw/zinc/57/71/55/1272577155.db2.gz AZHGEFCSCNMSMV-DAXOMENPSA-N 1 0 334.416 2.596 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006208 1272580565 /nfs/dbraw/zinc/58/05/65/1272580565.db2.gz WPMSWKKMKAKCPD-CKEIUWERSA-N 1 0 341.452 2.811 20 5 EFBDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006668 1272581535 /nfs/dbraw/zinc/58/15/35/1272581535.db2.gz IWNRWTUVHKPIDC-ULQDDVLXSA-N 1 0 332.400 2.640 20 5 EFBDRO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012422 1272584620 /nfs/dbraw/zinc/58/46/20/1272584620.db2.gz QAKHLYNOILAQRJ-HIFRSBDPSA-N 1 0 344.415 2.824 20 5 EFBDRO CC(C)(C)OC(=O)NCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013775 1272584637 /nfs/dbraw/zinc/58/46/37/1272584637.db2.gz WJADUGNJFJVXEN-CABCVRRESA-N 1 0 341.452 2.669 20 5 EFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1c1ccccc1 ZINC001169011594 1272584798 /nfs/dbraw/zinc/58/47/98/1272584798.db2.gz LHZMCKLXJMWOJA-XBVQOTNRSA-N 1 0 332.400 2.668 20 5 EFBDRO COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011830 1272584847 /nfs/dbraw/zinc/58/48/47/1272584847.db2.gz MPQYMDSCBNYWJM-SJORKVTESA-N 1 0 334.416 2.887 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001169014427 1272584945 /nfs/dbraw/zinc/58/49/45/1272584945.db2.gz ZPGBDCKNJUMEMF-CBBWQLFWSA-N 1 0 341.452 2.667 20 5 EFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011348 1272585157 /nfs/dbraw/zinc/58/51/57/1272585157.db2.gz KABSSAJQINCGNP-KGLIPLIRSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169014369 1272585210 /nfs/dbraw/zinc/58/52/10/1272585210.db2.gz YTBJELDEZZMYRN-ZQIUZPCESA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1CCCC12C[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011037 1272585620 /nfs/dbraw/zinc/58/56/20/1272585620.db2.gz HMKABMACXWTCIO-UONOGXRCSA-N 1 0 339.436 2.517 20 5 EFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011847 1272585750 /nfs/dbraw/zinc/58/57/50/1272585750.db2.gz MTVVVWVVGADXIA-APIJFGDWSA-N 1 0 339.436 2.516 20 5 EFBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169012305 1272585904 /nfs/dbraw/zinc/58/59/04/1272585904.db2.gz PBFGQPLAOQRGMU-ILXRZTDVSA-N 1 0 341.452 2.763 20 5 EFBDRO CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001168986711 1272586723 /nfs/dbraw/zinc/58/67/23/1272586723.db2.gz YQQIEZMAMVRJGW-RBSFLKMASA-N 1 0 343.468 2.961 20 5 EFBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987870 1272588789 /nfs/dbraw/zinc/58/87/89/1272588789.db2.gz KZRGSBPYENKKDL-KBXIAJHMSA-N 1 0 341.452 2.809 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC001168988160 1272588944 /nfs/dbraw/zinc/58/89/44/1272588944.db2.gz OOYFHHOMIOIYAG-MWLCHTKSSA-N 1 0 329.194 2.690 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC001168988158 1272589170 /nfs/dbraw/zinc/58/91/70/1272589170.db2.gz OOYFHHOMIOIYAG-GXSJLCMTSA-N 1 0 329.194 2.690 20 5 EFBDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001168987867 1272589417 /nfs/dbraw/zinc/58/94/17/1272589417.db2.gz KZRGSBPYENKKDL-BARDWOONSA-N 1 0 341.452 2.809 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001169028493 1272592394 /nfs/dbraw/zinc/59/23/94/1272592394.db2.gz SRBAWJBYCFCDDE-WBVHZDCISA-N 1 0 337.851 2.903 20 5 EFBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169028950 1272595088 /nfs/dbraw/zinc/59/50/88/1272595088.db2.gz SYGPOPVPZKYXJO-QLFBSQMISA-N 1 0 341.452 2.669 20 5 EFBDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033229 1272595910 /nfs/dbraw/zinc/59/59/10/1272595910.db2.gz BLVFFQGSEAYJDF-KFWWJZLASA-N 1 0 341.452 2.763 20 5 EFBDRO CC[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(=O)OC(C)(C)C ZINC001169034582 1272596282 /nfs/dbraw/zinc/59/62/82/1272596282.db2.gz IAYMXWPTDIBTGT-KKUMJFAQSA-N 1 0 341.452 2.763 20 5 EFBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1OC ZINC001169034246 1272596981 /nfs/dbraw/zinc/59/69/81/1272596981.db2.gz GHYJJYVZXZSRMR-OCCSQVGLSA-N 1 0 338.404 2.590 20 5 EFBDRO CCOc1cccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169035574 1272598144 /nfs/dbraw/zinc/59/81/44/1272598144.db2.gz CEIFRBPAGXIVDF-WBVHZDCISA-N 1 0 333.432 2.653 20 5 EFBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169035891 1272600645 /nfs/dbraw/zinc/60/06/45/1272600645.db2.gz MDFYRLUYAJMKMX-QLFBSQMISA-N 1 0 341.452 2.763 20 5 EFBDRO O=C1Nc2ccccc2C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169037168 1272603215 /nfs/dbraw/zinc/60/32/15/1272603215.db2.gz QYXSSXDODALVCG-ZIAGYGMSSA-N 1 0 344.415 2.558 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC001169038308 1272605255 /nfs/dbraw/zinc/60/52/55/1272605255.db2.gz XXJKVRXALDKRGT-TZMCWYRMSA-N 1 0 325.359 2.532 20 5 EFBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001169038967 1272605684 /nfs/dbraw/zinc/60/56/84/1272605684.db2.gz LZHOVKIWPRQNBM-RBSFLKMASA-N 1 0 341.452 2.763 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001169037691 1272605732 /nfs/dbraw/zinc/60/57/32/1272605732.db2.gz SVSWPCZYTRGKJB-VWYCJHECSA-N 1 0 348.325 2.713 20 5 EFBDRO CC(C)(C)OC(=O)CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038899 1272605789 /nfs/dbraw/zinc/60/57/89/1272605789.db2.gz LEKFWOCEMSMLEB-GJZGRUSLSA-N 1 0 326.437 2.876 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001169037690 1272605862 /nfs/dbraw/zinc/60/58/62/1272605862.db2.gz SVSWPCZYTRGKJB-OUAUKWLOSA-N 1 0 348.325 2.713 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC001169037957 1272606396 /nfs/dbraw/zinc/60/63/96/1272606396.db2.gz UIPISJRRTVQXRA-YOEHRIQHSA-N 1 0 326.400 2.676 20 5 EFBDRO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038861 1272606574 /nfs/dbraw/zinc/60/65/74/1272606574.db2.gz LBAMLPVQSUWYAE-XOYOTBSWSA-N 1 0 345.443 2.555 20 5 EFBDRO COc1ccccc1OC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039731 1272607461 /nfs/dbraw/zinc/60/74/61/1272607461.db2.gz SQMCSJXXNRVOOV-CABCVRRESA-N 1 0 334.416 2.984 20 5 EFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039462 1272608485 /nfs/dbraw/zinc/60/84/85/1272608485.db2.gz POXVFRYSEOITBZ-QPSCCSFWSA-N 1 0 341.452 2.667 20 5 EFBDRO COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039710 1272608789 /nfs/dbraw/zinc/60/87/89/1272608789.db2.gz SNQLPMGBINGYTM-BFYDXBDKSA-N 1 0 336.432 2.884 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169042797 1272611890 /nfs/dbraw/zinc/61/18/90/1272611890.db2.gz FUKURJSMUKQBOJ-QLFBSQMISA-N 1 0 341.452 2.763 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169042798 1272613395 /nfs/dbraw/zinc/61/33/95/1272613395.db2.gz FUKURJSMUKQBOJ-RBSFLKMASA-N 1 0 341.452 2.763 20 5 EFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)o1 ZINC001169017654 1272616933 /nfs/dbraw/zinc/61/69/33/1272616933.db2.gz AYBNCONECCRKNL-XYVMCAHJSA-N 1 0 333.432 2.682 20 5 EFBDRO O=C(C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCCCC1 ZINC001169023840 1272620182 /nfs/dbraw/zinc/62/01/82/1272620182.db2.gz FPWWQAHGTADNHT-WBVHZDCISA-N 1 0 337.464 2.546 20 5 EFBDRO CCOC[C@@H]1COCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026778 1272623008 /nfs/dbraw/zinc/62/30/08/1272623008.db2.gz NYJGMJYSORSUCX-ZACQAIPSSA-N 1 0 340.464 2.587 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001169026404 1272623115 /nfs/dbraw/zinc/62/31/15/1272623115.db2.gz LSLGWGPKGVPJBM-MAUKXSAKSA-N 1 0 326.400 2.924 20 5 EFBDRO CCOC[C@@H]1COCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026775 1272624107 /nfs/dbraw/zinc/62/41/07/1272624107.db2.gz NYJGMJYSORSUCX-BBWFWOEESA-N 1 0 340.464 2.587 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)C1 ZINC001169026472 1272624113 /nfs/dbraw/zinc/62/41/13/1272624113.db2.gz XHEBHIIZFCHCFS-ZFWWWQNUSA-N 1 0 342.399 2.583 20 5 EFBDRO C[C@H]1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001169047878 1272627516 /nfs/dbraw/zinc/62/75/16/1272627516.db2.gz SEDOFOLAONWQEW-BYNSBNAKSA-N 1 0 341.452 2.762 20 5 EFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001169050483 1272628126 /nfs/dbraw/zinc/62/81/26/1272628126.db2.gz ZVHDGZCATHDUCE-KGLIPLIRSA-N 1 0 339.386 2.528 20 5 EFBDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050438 1272628386 /nfs/dbraw/zinc/62/83/86/1272628386.db2.gz ZQOMYXMNKYKEON-OWCLPIDISA-N 1 0 344.452 2.502 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001169050481 1272628578 /nfs/dbraw/zinc/62/85/78/1272628578.db2.gz ZVHDGZCATHDUCE-KBPBESRZSA-N 1 0 339.386 2.528 20 5 EFBDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050435 1272629257 /nfs/dbraw/zinc/62/92/57/1272629257.db2.gz ZQOMYXMNKYKEON-ARFHVFGLSA-N 1 0 344.452 2.502 20 5 EFBDRO CN(C(=O)c1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169053220 1272630585 /nfs/dbraw/zinc/63/05/85/1272630585.db2.gz IJROAISQFBIYMQ-QAPCUYQASA-N 1 0 345.443 2.668 20 5 EFBDRO O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055345 1272632617 /nfs/dbraw/zinc/63/26/17/1272632617.db2.gz PTWCYBJSIIKBJN-BHYGNILZSA-N 1 0 343.427 2.552 20 5 EFBDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054967 1272632773 /nfs/dbraw/zinc/63/27/73/1272632773.db2.gz OPUOYRZRZHDYKG-IMJJTQAJSA-N 1 0 344.415 2.554 20 5 EFBDRO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054969 1272632981 /nfs/dbraw/zinc/63/29/81/1272632981.db2.gz OPUOYRZRZHDYKG-KBMXLJTQSA-N 1 0 344.415 2.554 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1cc(F)cc3c1OCOC3)C[NH2+]C2 ZINC001169097314 1272651747 /nfs/dbraw/zinc/65/17/47/1272651747.db2.gz NEOTYLAQSRMMKE-UHFFFAOYSA-N 1 0 345.330 2.816 20 5 EFBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169192287 1272732243 /nfs/dbraw/zinc/73/22/43/1272732243.db2.gz NCIWCRIBRLXHBS-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1 ZINC001169230515 1272747565 /nfs/dbraw/zinc/74/75/65/1272747565.db2.gz STNOJAVJRGCPPR-LBPRGKRZSA-N 1 0 339.355 2.774 20 5 EFBDRO O=c1c(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cccn1CC1CC1 ZINC001169450527 1272925185 /nfs/dbraw/zinc/92/51/85/1272925185.db2.gz KZYBKLIFGWEFFV-UHFFFAOYSA-N 1 0 326.356 2.513 20 5 EFBDRO O=[N+]([O-])c1ccc(Oc2ncc(NCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC001169564166 1273008655 /nfs/dbraw/zinc/00/86/55/1273008655.db2.gz IEVLHYJCILFSAY-GFCCVEGCSA-N 1 0 329.360 2.731 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c[nH]cc1C1CC1 ZINC001169692139 1273093878 /nfs/dbraw/zinc/09/38/78/1273093878.db2.gz LZMQQXVGMJWGAV-UHFFFAOYSA-N 1 0 342.399 2.710 20 5 EFBDRO [NH3+]CCc1cn(-c2nccc3c2cccc3[N+](=O)[O-])c2cccnc12 ZINC001169702622 1273106712 /nfs/dbraw/zinc/10/67/12/1273106712.db2.gz ICGZKIGMBYQGQY-UHFFFAOYSA-N 1 0 333.351 2.983 20 5 EFBDRO O=[N+]([O-])c1cc(Br)nc(NCC23CC[NH+](CC2)CC3)c1 ZINC001169795771 1273170963 /nfs/dbraw/zinc/17/09/63/1273170963.db2.gz FDVUFXVTUZRNGZ-UHFFFAOYSA-N 1 0 341.209 2.650 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000804344506 1273328085 /nfs/dbraw/zinc/32/80/85/1273328085.db2.gz UKHKDKMHETUGAW-CQSZACIVSA-N 1 0 339.823 2.939 20 5 EFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804349180 1273413008 /nfs/dbraw/zinc/41/30/08/1273413008.db2.gz JZIKFXJLPMUJPI-LBPRGKRZSA-N 1 0 326.828 2.686 20 5 EFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C[NH3+])c1ccccc1)CC2 ZINC000844160941 1278790919 /nfs/dbraw/zinc/79/09/19/1278790919.db2.gz OPIJXWVHHDODIK-OAHLLOKOSA-N 1 0 325.368 2.535 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001035187255 1273793474 /nfs/dbraw/zinc/79/34/74/1273793474.db2.gz SHJNZQFNUZGOBR-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO CCOc1cc(COC(=O)c2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000792549081 1278839250 /nfs/dbraw/zinc/83/92/50/1278839250.db2.gz IUCNHGZMPSCGIZ-UHFFFAOYSA-N 1 0 341.323 2.998 20 5 EFBDRO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCCCC1 ZINC001109465689 1274309623 /nfs/dbraw/zinc/30/96/23/1274309623.db2.gz OUQPAQLNXFFPFY-UHFFFAOYSA-N 1 0 348.447 2.731 20 5 EFBDRO CC(C)c1oncc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170009339 1274367753 /nfs/dbraw/zinc/36/77/53/1274367753.db2.gz ZBATWOFCPZMPQH-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001109576464 1274442585 /nfs/dbraw/zinc/44/25/85/1274442585.db2.gz HGZZFYVSZYTZMS-UHFFFAOYSA-N 1 0 348.447 2.730 20 5 EFBDRO [NH3+]Cc1ccc2nnn(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2c1 ZINC001170023624 1274687867 /nfs/dbraw/zinc/68/78/67/1274687867.db2.gz IUUOYOFLEFVQDO-UHFFFAOYSA-N 1 0 337.261 2.806 20 5 EFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC[NH+]1CCCCC1 ZINC000785954818 1275250336 /nfs/dbraw/zinc/25/03/36/1275250336.db2.gz RFFHEXGVMPCVBH-UHFFFAOYSA-N 1 0 326.780 2.820 20 5 EFBDRO COC(=O)N1CCC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000786812969 1275550534 /nfs/dbraw/zinc/55/05/34/1275550534.db2.gz MXDWJVDQUKRVHM-UZGISAJGSA-N 1 0 333.388 2.819 20 5 EFBDRO O=C(OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884979 1275584881 /nfs/dbraw/zinc/58/48/81/1275584881.db2.gz VYFZQTKRUPKKGC-KRWDZBQOSA-N 1 0 348.399 2.924 20 5 EFBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2C)c2ccc([N+](=O)[O-])cc12 ZINC000746632185 1275671790 /nfs/dbraw/zinc/67/17/90/1275671790.db2.gz WEDJQBSSPMGPKT-UHFFFAOYSA-N 1 0 342.403 2.737 20 5 EFBDRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086552330 1275732833 /nfs/dbraw/zinc/73/28/33/1275732833.db2.gz FBWJFFRIROJUDW-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO C[NH+](C)CCOC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746670418 1275743762 /nfs/dbraw/zinc/74/37/62/1275743762.db2.gz GQNZJSXQJSZANO-UHFFFAOYSA-N 1 0 341.839 2.791 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294791 1278979498 /nfs/dbraw/zinc/97/94/98/1278979498.db2.gz RTYOPBSLVJQXJD-UGSOOPFHSA-N 1 0 330.384 2.858 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC001170297429 1278980582 /nfs/dbraw/zinc/98/05/82/1278980582.db2.gz ODUCEBLWUDLVDS-ZDUSSCGKSA-N 1 0 340.383 2.972 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)NC2CCCC2)c([N+](=O)[O-])c1 ZINC001170298088 1278981287 /nfs/dbraw/zinc/98/12/87/1278981287.db2.gz ZSGQKELAKSYVSB-CYBMUJFWSA-N 1 0 349.431 2.573 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170304725 1278990856 /nfs/dbraw/zinc/99/08/56/1278990856.db2.gz GGWVSMZYKFQPNE-XIKOKIGWSA-N 1 0 348.374 2.997 20 5 EFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788121598 1276042579 /nfs/dbraw/zinc/04/25/79/1276042579.db2.gz RQCFAWVBQKYZDN-HIFRSBDPSA-N 1 0 343.383 2.789 20 5 EFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c3ccccc23)O1 ZINC001170285411 1279001347 /nfs/dbraw/zinc/00/13/47/1279001347.db2.gz YZKUMALRNXNIRN-KZNAEPCWSA-N 1 0 345.399 2.885 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC001170310458 1279006806 /nfs/dbraw/zinc/00/68/06/1279006806.db2.gz WLMXSSBVYJQQOK-GFCCVEGCSA-N 1 0 331.372 2.728 20 5 EFBDRO Cc1nn(C[N@@H+]2CCSC(C)(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000788378219 1276158478 /nfs/dbraw/zinc/15/84/78/1276158478.db2.gz OCCORPDRBLZGEF-UHFFFAOYSA-N 1 0 335.433 2.823 20 5 EFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2ccsc2)n1 ZINC000788435719 1276164826 /nfs/dbraw/zinc/16/48/26/1276164826.db2.gz HNQNCIDCRCFNQK-BFHYXJOUSA-N 1 0 336.417 2.660 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000788548631 1276215020 /nfs/dbraw/zinc/21/50/20/1276215020.db2.gz PCRWDQWSIIGETL-UHFFFAOYSA-N 1 0 337.395 2.990 20 5 EFBDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788568368 1276227870 /nfs/dbraw/zinc/22/78/70/1276227870.db2.gz CYWRCCMHSIPQJA-LBPRGKRZSA-N 1 0 325.372 2.878 20 5 EFBDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788583135 1276232332 /nfs/dbraw/zinc/23/23/32/1276232332.db2.gz JVYWAJHPLZNDHA-ZDUSSCGKSA-N 1 0 342.399 2.534 20 5 EFBDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788630299 1276249457 /nfs/dbraw/zinc/24/94/57/1276249457.db2.gz ZWNZHVNOBONPFW-AAEUAGOBSA-N 1 0 345.378 2.641 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788634482 1276250254 /nfs/dbraw/zinc/25/02/54/1276250254.db2.gz ZGCPTTBWDRJLAY-IUODEOHRSA-N 1 0 346.431 2.619 20 5 EFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000788688335 1276259451 /nfs/dbraw/zinc/25/94/51/1276259451.db2.gz SJMOSEPGXXYVII-SMDDNHRTSA-N 1 0 343.383 2.840 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCc3nccnc32)c([N+](=O)[O-])c1 ZINC001170323463 1279014684 /nfs/dbraw/zinc/01/46/84/1279014684.db2.gz KVTOUQDNUOKMIF-WBMJQRKESA-N 1 0 342.399 2.992 20 5 EFBDRO CCC1(CC[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])OCCO1 ZINC001170326853 1279017555 /nfs/dbraw/zinc/01/75/55/1279017555.db2.gz BVXSXAVGTHXDDJ-ZDUSSCGKSA-N 1 0 338.404 2.667 20 5 EFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756934 1276290960 /nfs/dbraw/zinc/29/09/60/1276290960.db2.gz JYFYFBZNXIRSFA-BBRMVZONSA-N 1 0 329.400 2.740 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170326381 1279018262 /nfs/dbraw/zinc/01/82/62/1279018262.db2.gz IFEQQAWMXMBEIE-PBHICJAKSA-N 1 0 344.411 2.900 20 5 EFBDRO CC(C)[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[NH3+] ZINC000817909673 1276371208 /nfs/dbraw/zinc/37/12/08/1276371208.db2.gz ZFJQGSNNUGKBFL-QMTHXVAHSA-N 1 0 327.812 2.826 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(F)CCOCC2)c([N+](=O)[O-])c1 ZINC001170309654 1279031616 /nfs/dbraw/zinc/03/16/16/1279031616.db2.gz RBWMYUDHMZKQKW-GFCCVEGCSA-N 1 0 326.368 2.643 20 5 EFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000818023244 1276436064 /nfs/dbraw/zinc/43/60/64/1276436064.db2.gz IEJCGFQOEOTRBH-CKYFFXLPSA-N 1 0 325.796 2.694 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC(F)(F)F)CC2)cc1 ZINC000788979420 1276446133 /nfs/dbraw/zinc/44/61/33/1276446133.db2.gz GCSIWYWKHIXOCH-UHFFFAOYSA-N 1 0 333.310 2.690 20 5 EFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355864 1279034003 /nfs/dbraw/zinc/03/40/03/1279034003.db2.gz RROIUIGHFWPIDP-BJJXKVORSA-N 1 0 332.400 2.835 20 5 EFBDRO C[NH+](C)C1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000922988672 1276468054 /nfs/dbraw/zinc/46/80/54/1276468054.db2.gz XEKBXNDFUJZOBE-HNNXBMFYSA-N 1 0 346.431 2.578 20 5 EFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000923006888 1276499348 /nfs/dbraw/zinc/49/93/48/1276499348.db2.gz HJDOBTVJAGUXRI-HAQNSBGRSA-N 1 0 332.356 2.724 20 5 EFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818560482 1276534647 /nfs/dbraw/zinc/53/46/47/1276534647.db2.gz WKDYTIVZTKQPIY-RNCFNFMXSA-N 1 0 343.786 2.658 20 5 EFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818560483 1276534679 /nfs/dbraw/zinc/53/46/79/1276534679.db2.gz WKDYTIVZTKQPIY-TVQRCGJNSA-N 1 0 343.786 2.658 20 5 EFBDRO CC(C)(CCC[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818602995 1276544633 /nfs/dbraw/zinc/54/46/33/1276544633.db2.gz ZVAHTQXTBCPKIF-UHFFFAOYSA-N 1 0 331.775 2.564 20 5 EFBDRO C[N@H+](CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000818943863 1276553685 /nfs/dbraw/zinc/55/36/85/1276553685.db2.gz ZWRAVWQMZMFPJY-LJQANCHMSA-N 1 0 343.427 2.740 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCN2CCc3ccccc32)c1 ZINC000818947900 1276555566 /nfs/dbraw/zinc/55/55/66/1276555566.db2.gz UIZKVJNVHLNDFM-IBGZPJMESA-N 1 0 341.411 2.671 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000818979350 1276561774 /nfs/dbraw/zinc/56/17/74/1276561774.db2.gz ZCIBKAZHQPDUQL-KRWDZBQOSA-N 1 0 340.383 2.727 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000818990855 1276564648 /nfs/dbraw/zinc/56/46/48/1276564648.db2.gz QIIJVRGWTKPWQZ-QGZVFWFLSA-N 1 0 343.383 2.602 20 5 EFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818970024 1276573676 /nfs/dbraw/zinc/57/36/76/1276573676.db2.gz KTLPIZJFDGPTDH-RDTXWAMCSA-N 1 0 330.384 2.994 20 5 EFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818970020 1276574350 /nfs/dbraw/zinc/57/43/50/1276574350.db2.gz KTLPIZJFDGPTDH-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974083 1276575007 /nfs/dbraw/zinc/57/50/07/1276575007.db2.gz CYGLNQGTELFJIX-KRXQYRFLSA-N 1 0 335.448 2.584 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000819048655 1276581015 /nfs/dbraw/zinc/58/10/15/1276581015.db2.gz OEPNFPFMYHBXNH-JKSUJKDBSA-N 1 0 332.331 2.881 20 5 EFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000819059243 1276586964 /nfs/dbraw/zinc/58/69/64/1276586964.db2.gz DLVDMPMEOWZLJJ-ZWKOTPCHSA-N 1 0 328.368 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)cc1 ZINC000819060229 1276587469 /nfs/dbraw/zinc/58/74/69/1276587469.db2.gz MEOZYHCHOBQVKO-ROUUACIJSA-N 1 0 328.368 2.532 20 5 EFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000819059240 1276587495 /nfs/dbraw/zinc/58/74/95/1276587495.db2.gz DLVDMPMEOWZLJJ-QZTJIDSGSA-N 1 0 328.368 2.532 20 5 EFBDRO C[C@H](O)C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819156852 1276632744 /nfs/dbraw/zinc/63/27/44/1276632744.db2.gz ZIZGSWLTHPJDSN-YJLNNSPDSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@H](O)C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000819155797 1276633289 /nfs/dbraw/zinc/63/32/89/1276633289.db2.gz RUDNFILKKRDDQE-UCLAIMLFSA-N 1 0 344.411 2.773 20 5 EFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000819113739 1276636661 /nfs/dbraw/zinc/63/66/61/1276636661.db2.gz UBRBRROAUYIQFF-YVEFUNNKSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819113182 1276636741 /nfs/dbraw/zinc/63/67/41/1276636741.db2.gz MJHAFOGAPVZVHP-FZKQIMNGSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819113186 1276636794 /nfs/dbraw/zinc/63/67/94/1276636794.db2.gz MJHAFOGAPVZVHP-UGSOOPFHSA-N 1 0 346.383 2.694 20 5 EFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000819113738 1276636856 /nfs/dbraw/zinc/63/68/56/1276636856.db2.gz UBRBRROAUYIQFF-SJKOYZFVSA-N 1 0 334.347 2.824 20 5 EFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819113922 1276637115 /nfs/dbraw/zinc/63/71/15/1276637115.db2.gz WTBDGDZYZBERGC-LRDDRELGSA-N 1 0 334.347 2.824 20 5 EFBDRO COc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819114729 1276637599 /nfs/dbraw/zinc/63/75/99/1276637599.db2.gz XGUOONCDLLFMED-FZKQIMNGSA-N 1 0 346.383 2.694 20 5 EFBDRO COc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819117572 1276637686 /nfs/dbraw/zinc/63/76/86/1276637686.db2.gz JVSVEQWGGVRCPY-UGSOOPFHSA-N 1 0 346.383 2.694 20 5 EFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819116250 1276637927 /nfs/dbraw/zinc/63/79/27/1276637927.db2.gz VAWPPRFEIVFULL-KDOFPFPSSA-N 1 0 330.384 2.994 20 5 EFBDRO CC(C)Oc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819186105 1276665281 /nfs/dbraw/zinc/66/52/81/1276665281.db2.gz PCSPSBGXLUPVLK-MRXNPFEDSA-N 1 0 331.372 2.600 20 5 EFBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819216510 1276693989 /nfs/dbraw/zinc/69/39/89/1276693989.db2.gz VFYAOOXOQLPXRU-SUMWQHHRSA-N 1 0 345.399 2.990 20 5 EFBDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000819233140 1276701638 /nfs/dbraw/zinc/70/16/38/1276701638.db2.gz RZJAOCNOUXDEAU-DLBZAZTESA-N 1 0 344.367 2.750 20 5 EFBDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000819233142 1276701672 /nfs/dbraw/zinc/70/16/72/1276701672.db2.gz RZJAOCNOUXDEAU-IRXDYDNUSA-N 1 0 344.367 2.750 20 5 EFBDRO Cc1c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000819259060 1276714453 /nfs/dbraw/zinc/71/44/53/1276714453.db2.gz FGCQLBGMESIMHI-MRXNPFEDSA-N 1 0 331.328 2.635 20 5 EFBDRO CCO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000819266021 1276718817 /nfs/dbraw/zinc/71/88/17/1276718817.db2.gz KYOAZMVBOLRICG-ROUUACIJSA-N 1 0 330.384 2.996 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327738 1276730208 /nfs/dbraw/zinc/73/02/08/1276730208.db2.gz HBUOTRKELSTAER-KBXCAEBGSA-N 1 0 345.374 2.636 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000819347999 1276737314 /nfs/dbraw/zinc/73/73/14/1276737314.db2.gz FBWPFIPQUMOGDQ-NXHRZFHOSA-N 1 0 343.383 2.533 20 5 EFBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819346089 1276737405 /nfs/dbraw/zinc/73/74/05/1276737405.db2.gz CUNGSSQOVWTVMD-WCQYABFASA-N 1 0 349.214 2.508 20 5 EFBDRO COc1cc(F)cc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819362001 1276756345 /nfs/dbraw/zinc/75/63/45/1276756345.db2.gz SIDXBYBNFUTWCL-KPZWWZAWSA-N 1 0 348.374 2.997 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000789511684 1276767980 /nfs/dbraw/zinc/76/79/80/1276767980.db2.gz DZXAUOUUWRUYRX-DOTOQJQBSA-N 1 0 330.388 2.854 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000789511688 1276768062 /nfs/dbraw/zinc/76/80/62/1276768062.db2.gz DZXAUOUUWRUYRX-RDJZCZTQSA-N 1 0 330.388 2.854 20 5 EFBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000789514421 1276772696 /nfs/dbraw/zinc/77/26/96/1276772696.db2.gz QBXVEPJDWQLPAU-IRXDYDNUSA-N 1 0 330.388 2.854 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Cl ZINC000819719944 1276893843 /nfs/dbraw/zinc/89/38/43/1276893843.db2.gz KZRKQOTXDWXIBU-XHDPSFHLSA-N 1 0 337.807 2.723 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC001170307199 1279030311 /nfs/dbraw/zinc/03/03/11/1279030311.db2.gz FDINXXPNWMLRFM-GFCCVEGCSA-N 1 0 330.388 2.547 20 5 EFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncc(Cl)n2)c([N+](=O)[O-])c1 ZINC001170306605 1279028064 /nfs/dbraw/zinc/02/80/64/1279028064.db2.gz YJMANCMTCJZYQT-SNVBAGLBSA-N 1 0 336.779 2.768 20 5 EFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170306660 1279028161 /nfs/dbraw/zinc/02/81/61/1279028161.db2.gz ZKFYYLDRPPZXNC-YVEFUNNKSA-N 1 0 348.374 2.997 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000820608185 1277267006 /nfs/dbraw/zinc/26/70/06/1277267006.db2.gz GHNCOROKYCMSHA-KRWDZBQOSA-N 1 0 349.456 2.875 20 5 EFBDRO CCOC(=O)CCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307445 1279030024 /nfs/dbraw/zinc/03/00/24/1279030024.db2.gz FYJJUDQIPURHDR-ZDUSSCGKSA-N 1 0 338.404 2.857 20 5 EFBDRO CC[N@@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000790265527 1277406772 /nfs/dbraw/zinc/40/67/72/1277406772.db2.gz CDXMQZUVRUXZBT-UHFFFAOYSA-N 1 0 341.795 2.567 20 5 EFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923289395 1277502867 /nfs/dbraw/zinc/50/28/67/1277502867.db2.gz PTUXILSYSDGMEC-WDEREUQCSA-N 1 0 342.237 2.917 20 5 EFBDRO C[C@H]1CCSCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000790482296 1277592609 /nfs/dbraw/zinc/59/26/09/1277592609.db2.gz VSIVMBNDOFGDFC-LBPRGKRZSA-N 1 0 333.417 2.638 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790543112 1277655341 /nfs/dbraw/zinc/65/53/41/1277655341.db2.gz LVFONWOXPRKOIX-GFCCVEGCSA-N 1 0 345.321 2.546 20 5 EFBDRO CCCN(CC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790894407 1277835136 /nfs/dbraw/zinc/83/51/36/1277835136.db2.gz LMVIHOYWHSYVLW-UHFFFAOYSA-N 1 0 345.802 2.730 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001175071884 1287316679 /nfs/dbraw/zinc/31/66/79/1287316679.db2.gz XCLXPEBOUNRNFR-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO CCN(CC[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344606 1279050117 /nfs/dbraw/zinc/05/01/17/1279050117.db2.gz DBYITEKMSHRJAD-OAHLLOKOSA-N 1 0 335.448 2.952 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170348599 1279054575 /nfs/dbraw/zinc/05/45/75/1279054575.db2.gz YZTXQKZABWRJLR-DHSIGJKJSA-N 1 0 333.432 2.560 20 5 EFBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351775 1279059385 /nfs/dbraw/zinc/05/93/85/1279059385.db2.gz IPEAIYQEUGFGHK-WUARAQQHSA-N 1 0 332.400 2.644 20 5 EFBDRO CN(CCOC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000793129366 1279375806 /nfs/dbraw/zinc/37/58/06/1279375806.db2.gz XMBWYUJBQKQTJF-UHFFFAOYSA-N 1 0 340.339 2.536 20 5 EFBDRO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000793192711 1279437058 /nfs/dbraw/zinc/43/70/58/1279437058.db2.gz XZWVGTQKVBLRMV-UHFFFAOYSA-N 1 0 341.323 2.787 20 5 EFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000793216008 1279446369 /nfs/dbraw/zinc/44/63/69/1279446369.db2.gz SKERFZMIDJQHMB-SNVBAGLBSA-N 1 0 327.356 2.737 20 5 EFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793291727 1279500418 /nfs/dbraw/zinc/50/04/18/1279500418.db2.gz UYPLOGRIHOVYKR-CYBMUJFWSA-N 1 0 325.796 2.596 20 5 EFBDRO COc1cc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1C ZINC000845736048 1279809097 /nfs/dbraw/zinc/80/90/97/1279809097.db2.gz OCVDIVRWSWAHAH-ZDUSSCGKSA-N 1 0 336.388 2.941 20 5 EFBDRO CC(C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000822495633 1289015209 /nfs/dbraw/zinc/01/52/09/1289015209.db2.gz KBQQVWOJZYWNHW-OAHLLOKOSA-N 1 0 327.469 2.695 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000872021369 1287402816 /nfs/dbraw/zinc/40/28/16/1287402816.db2.gz CGZVKUROHOGFJP-OLZOCXBDSA-N 1 0 339.461 2.688 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000872024323 1287404014 /nfs/dbraw/zinc/40/40/14/1287404014.db2.gz QGGHDZGVHLUTNA-NEPJUHHUSA-N 1 0 337.445 2.978 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COCC1CC1 ZINC000872030324 1287405745 /nfs/dbraw/zinc/40/57/45/1287405745.db2.gz CWRNYXHGPARZFA-RISCZKNCSA-N 1 0 340.445 2.755 20 5 EFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000804532320 1280267274 /nfs/dbraw/zinc/26/72/74/1280267274.db2.gz RUYWFARVAPFXRP-MRXNPFEDSA-N 1 0 349.431 2.735 20 5 EFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000804558305 1280281951 /nfs/dbraw/zinc/28/19/51/1280281951.db2.gz BVAQVGNQRWTRGW-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000804567155 1280288895 /nfs/dbraw/zinc/28/88/95/1280288895.db2.gz LOVPBKRCXJYOFU-UHFFFAOYSA-N 1 0 348.447 2.824 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000872051230 1287412576 /nfs/dbraw/zinc/41/25/76/1287412576.db2.gz GOFPSPXDETYKTO-HUBLWGQQSA-N 1 0 339.461 2.686 20 5 EFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815289267 1287412783 /nfs/dbraw/zinc/41/27/83/1287412783.db2.gz XKMMSCMSTUSFGY-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CCOCC1 ZINC000872059859 1287415871 /nfs/dbraw/zinc/41/58/71/1287415871.db2.gz JFBGHJMNKLEXQC-ABAIWWIYSA-N 1 0 340.445 2.755 20 5 EFBDRO CCCc1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC001129939133 1280373547 /nfs/dbraw/zinc/37/35/47/1280373547.db2.gz OGAVBHOACNDWQI-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO O=C(CCCc1ccsc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129967620 1280383478 /nfs/dbraw/zinc/38/34/78/1280383478.db2.gz LNFHJAUEEVMTEO-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscc1Cl ZINC001130003570 1280408490 /nfs/dbraw/zinc/40/84/90/1280408490.db2.gz JUUHARRFUYMWJP-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC001175415489 1287421397 /nfs/dbraw/zinc/42/13/97/1287421397.db2.gz LEKPNLLPTUOTCT-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO CON1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872081567 1287422438 /nfs/dbraw/zinc/42/24/38/1287422438.db2.gz ZPZXVHBQLAZPAE-LLVKDONJSA-N 1 0 325.434 2.993 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000872080245 1287422773 /nfs/dbraw/zinc/42/27/73/1287422773.db2.gz OYAVOZNMZDUMEW-NSHDSACASA-N 1 0 346.474 2.792 20 5 EFBDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1=O ZINC000872083082 1287423037 /nfs/dbraw/zinc/42/30/37/1287423037.db2.gz GVPBPOXJQZFGGC-NWDGAFQWSA-N 1 0 337.445 2.836 20 5 EFBDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1=O ZINC000872083083 1287423051 /nfs/dbraw/zinc/42/30/51/1287423051.db2.gz GVPBPOXJQZFGGC-RYUDHWBXSA-N 1 0 337.445 2.836 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091380156 1280462139 /nfs/dbraw/zinc/46/21/39/1280462139.db2.gz IAJIRPVKJYTXJF-OTVXOJSOSA-N 1 0 348.447 2.632 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC001130112296 1280475958 /nfs/dbraw/zinc/47/59/58/1280475958.db2.gz ZJIDCWHOBRMCAH-UHFFFAOYSA-N 1 0 349.337 2.701 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091469454 1280761989 /nfs/dbraw/zinc/76/19/89/1280761989.db2.gz DCLJJOVBMNBHHB-KOMQPUFPSA-N 1 0 348.447 2.633 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171282154 1280979091 /nfs/dbraw/zinc/97/90/91/1280979091.db2.gz ZYHSUQUKPKAWMM-UHFFFAOYSA-N 1 0 347.806 2.665 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806428745 1281056294 /nfs/dbraw/zinc/05/62/94/1281056294.db2.gz LKIUYVVQTHXFDI-ONXXMXGDSA-N 1 0 348.403 2.692 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171303869 1281172971 /nfs/dbraw/zinc/17/29/71/1281172971.db2.gz FSLRVHSLBJIJNT-UHFFFAOYSA-N 1 0 339.351 2.827 20 5 EFBDRO O=C(CCc1ccc(F)cc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130918121 1281295147 /nfs/dbraw/zinc/29/51/47/1281295147.db2.gz NLVSKNFZVGADCJ-UHFFFAOYSA-N 1 0 345.374 2.573 20 5 EFBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001130954193 1281332024 /nfs/dbraw/zinc/33/20/24/1281332024.db2.gz SFWGHUQIKBXBRZ-UHFFFAOYSA-N 1 0 333.413 2.793 20 5 EFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000807749896 1281412743 /nfs/dbraw/zinc/41/27/43/1281412743.db2.gz ZAZSBVDMUTWWQX-LBPRGKRZSA-N 1 0 325.796 2.852 20 5 EFBDRO Cc1ccc(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001131094526 1281470770 /nfs/dbraw/zinc/47/07/70/1281470770.db2.gz YVRVIPNNMIPXMK-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO Cc1cc(F)ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148511196 1281576667 /nfs/dbraw/zinc/57/66/67/1281576667.db2.gz ISTUGUDQPODUJM-UHFFFAOYSA-N 1 0 331.347 2.562 20 5 EFBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000808190591 1281580863 /nfs/dbraw/zinc/58/08/63/1281580863.db2.gz IAWZSYBUOSNUAK-RHSMWYFYSA-N 1 0 343.431 2.769 20 5 EFBDRO O=C(CCc1cccs1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175718639 1287526574 /nfs/dbraw/zinc/52/65/74/1287526574.db2.gz POAVKAMFHHHKIY-UHFFFAOYSA-N 1 0 347.440 2.885 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171341260 1281814318 /nfs/dbraw/zinc/81/43/18/1281814318.db2.gz VNCFTBVHPHDQJD-VIFPVBQESA-N 1 0 327.768 2.589 20 5 EFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000808709970 1281868196 /nfs/dbraw/zinc/86/81/96/1281868196.db2.gz JVUHPJDFVUUDMC-IBGZPJMESA-N 1 0 341.411 2.841 20 5 EFBDRO CC(C)(CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC001131486987 1281925791 /nfs/dbraw/zinc/92/57/91/1281925791.db2.gz UBISTAUFFOFNKT-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO CC(C)(CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC001131486908 1281926176 /nfs/dbraw/zinc/92/61/76/1281926176.db2.gz QZVOBXBNJFTRHQ-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO Cc1ccccc1CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001175704294 1287539750 /nfs/dbraw/zinc/53/97/50/1287539750.db2.gz LCWBXUZKFFLQDG-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000809732655 1282410586 /nfs/dbraw/zinc/41/05/86/1282410586.db2.gz ISNLPXPPXWSPAW-CQSZACIVSA-N 1 0 333.413 2.753 20 5 EFBDRO CC(=O)Nc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734377 1282413225 /nfs/dbraw/zinc/41/32/25/1282413225.db2.gz CBALBDRWPZWWFY-UHFFFAOYSA-N 1 0 328.372 2.519 20 5 EFBDRO CCOc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000809735267 1282414621 /nfs/dbraw/zinc/41/46/21/1282414621.db2.gz YKESMKCNXHJYCA-UHFFFAOYSA-N 1 0 345.399 2.967 20 5 EFBDRO COCCOc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809736515 1282422241 /nfs/dbraw/zinc/42/22/41/1282422241.db2.gz YDJSEVOMLHFZCW-UHFFFAOYSA-N 1 0 345.399 2.585 20 5 EFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809915840 1282563221 /nfs/dbraw/zinc/56/32/21/1282563221.db2.gz RYPHSJZNNJZAJR-UWVGGRQHSA-N 1 0 326.784 2.805 20 5 EFBDRO O=[N+]([O-])c1c(NCc2cccc3sccc32)ncnc1C1C[NH2+]C1 ZINC001171377504 1282618495 /nfs/dbraw/zinc/61/84/95/1282618495.db2.gz ONSODQDAMQDBSZ-UHFFFAOYSA-N 1 0 341.396 2.898 20 5 EFBDRO C[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809919825 1282642649 /nfs/dbraw/zinc/64/26/49/1282642649.db2.gz HTJBJUVRFOTJBG-UHFFFAOYSA-N 1 0 326.784 2.712 20 5 EFBDRO Cc1cccc(CCC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001131969337 1282689422 /nfs/dbraw/zinc/68/94/22/1282689422.db2.gz CSQCOHNETAQTDY-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987879 1282716272 /nfs/dbraw/zinc/71/62/72/1282716272.db2.gz OZDGDAVANGZJKE-PWSUYJOCSA-N 1 0 346.214 2.906 20 5 EFBDRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559363 1287594604 /nfs/dbraw/zinc/59/46/04/1287594604.db2.gz FHELGTBAQXCGPW-GFCCVEGCSA-N 1 0 348.447 2.865 20 5 EFBDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563818 1287597336 /nfs/dbraw/zinc/59/73/36/1287597336.db2.gz OYDVKJKIRZFLBM-GFCCVEGCSA-N 1 0 346.456 2.947 20 5 EFBDRO CCC[N@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110191130 1287601352 /nfs/dbraw/zinc/60/13/52/1287601352.db2.gz GYQRBFUDHQJNMP-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567294 1287601864 /nfs/dbraw/zinc/60/18/64/1287601864.db2.gz SYAYOHJRJITUIK-TZMCWYRMSA-N 1 0 340.383 2.633 20 5 EFBDRO C[NH+]1CCN(c2ncccc2Nc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001175899021 1287602872 /nfs/dbraw/zinc/60/28/72/1287602872.db2.gz JSGFLAZUBRDOFQ-CSKARUKUSA-N 1 0 339.399 2.824 20 5 EFBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593560 1287619680 /nfs/dbraw/zinc/61/96/80/1287619680.db2.gz QARFWKJESXEPAL-GDZNZVCISA-N 1 0 329.400 2.992 20 5 EFBDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596014 1287624029 /nfs/dbraw/zinc/62/40/29/1287624029.db2.gz IEVKSJTXLNDNMY-QVQLBTGDSA-N 1 0 333.413 2.765 20 5 EFBDRO Cc1c(N2c3ccccc3OC[C@H]2C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171399249 1283341987 /nfs/dbraw/zinc/34/19/87/1283341987.db2.gz GUAYKYLLMJMVTE-LLVKDONJSA-N 1 0 344.327 2.669 20 5 EFBDRO CC(C)OCC[NH+]1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000747621337 1283433744 /nfs/dbraw/zinc/43/37/44/1283433744.db2.gz QOVNIFXLBPDZHA-UHFFFAOYSA-N 1 0 347.419 2.544 20 5 EFBDRO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747620777 1283444273 /nfs/dbraw/zinc/44/42/73/1283444273.db2.gz MYDMZHWHFPJXPU-UHFFFAOYSA-N 1 0 339.823 2.858 20 5 EFBDRO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815622713 1287644348 /nfs/dbraw/zinc/64/43/48/1287644348.db2.gz CPZIOXVUUXXOBF-CJNGLKHVSA-N 1 0 329.400 2.821 20 5 EFBDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628199 1287645770 /nfs/dbraw/zinc/64/57/70/1287645770.db2.gz UHLRWWRLBKWKAX-NSHDSACASA-N 1 0 325.372 2.915 20 5 EFBDRO CCOc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810848949 1283704341 /nfs/dbraw/zinc/70/43/41/1283704341.db2.gz XTZHBDVIFMXQKA-UONOGXRCSA-N 1 0 334.372 2.777 20 5 EFBDRO CC(C)c1ccoc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132783998 1284278231 /nfs/dbraw/zinc/27/82/31/1284278231.db2.gz DWFYAWKINULCME-UHFFFAOYSA-N 1 0 331.372 2.831 20 5 EFBDRO CSC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000872628346 1287704312 /nfs/dbraw/zinc/70/43/12/1287704312.db2.gz UNZMIOWDPFFYIT-UHFFFAOYSA-N 1 0 333.417 2.638 20 5 EFBDRO Cc1cc(N2CCC3(CCNC3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872640514 1287712293 /nfs/dbraw/zinc/71/22/93/1287712293.db2.gz JRWGTNYBSWGKFC-UHFFFAOYSA-N 1 0 340.383 2.558 20 5 EFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000811715779 1284554618 /nfs/dbraw/zinc/55/46/18/1284554618.db2.gz BJDWNXMDRPCEJP-AWEZNQCLSA-N 1 0 336.461 2.928 20 5 EFBDRO Cc1cc(NCCNC(=O)CC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001094007575 1284691775 /nfs/dbraw/zinc/69/17/75/1284691775.db2.gz UQMZZNIZIUDKQW-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO Cc1cc(C)cc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001133239742 1285033324 /nfs/dbraw/zinc/03/33/24/1285033324.db2.gz XRVOZTUIBSEGJW-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO COc1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170679787 1285254796 /nfs/dbraw/zinc/25/47/96/1285254796.db2.gz WBBUGAQAOVMRCB-NSHDSACASA-N 1 0 339.355 2.871 20 5 EFBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094639958 1285465906 /nfs/dbraw/zinc/46/59/06/1285465906.db2.gz JHXKHLDYVQNUGZ-UHFFFAOYSA-N 1 0 336.436 2.552 20 5 EFBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001171844303 1285851308 /nfs/dbraw/zinc/85/13/08/1285851308.db2.gz HDBHNDXXWCDFIY-UHFFFAOYSA-N 1 0 343.383 2.513 20 5 EFBDRO COc1cccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001171903765 1285892729 /nfs/dbraw/zinc/89/27/29/1285892729.db2.gz QWMZTKPPDWSODR-UHFFFAOYSA-N 1 0 349.412 2.575 20 5 EFBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001171880753 1285911817 /nfs/dbraw/zinc/91/18/17/1285911817.db2.gz YYGDLXORNYEQRB-UHFFFAOYSA-N 1 0 327.384 2.813 20 5 EFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813448019 1285911915 /nfs/dbraw/zinc/91/19/15/1285911915.db2.gz PGLZQGOZYINEAB-VIFPVBQESA-N 1 0 346.214 2.973 20 5 EFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2occc2s1 ZINC001133766901 1285920001 /nfs/dbraw/zinc/92/00/01/1285920001.db2.gz OWDRVYDRCOCAIX-UHFFFAOYSA-N 1 0 345.380 2.922 20 5 EFBDRO CC1(C)CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752790354 1286141481 /nfs/dbraw/zinc/14/14/81/1286141481.db2.gz RVOCHKCGXHTWHM-UHFFFAOYSA-N 1 0 332.404 2.916 20 5 EFBDRO CCOc1nccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172905514 1286308373 /nfs/dbraw/zinc/30/83/73/1286308373.db2.gz RUGMJBXJPHNQGF-HNNXBMFYSA-N 1 0 342.399 2.821 20 5 EFBDRO [NH3+]Cc1nc2cnccc2n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904990 1286308487 /nfs/dbraw/zinc/30/84/87/1286308487.db2.gz GZHAFXLCMWEZOK-AWEZNQCLSA-N 1 0 337.383 2.918 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCC(F)(F)C1)CC2 ZINC001172904281 1286308826 /nfs/dbraw/zinc/30/88/26/1286308826.db2.gz WJOLKCJKTDYCTC-HNNXBMFYSA-N 1 0 339.386 2.773 20 5 EFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910465 1286322540 /nfs/dbraw/zinc/32/25/40/1286322540.db2.gz ALVAYYMLSYHVRD-HOTGVXAUSA-N 1 0 332.400 2.727 20 5 EFBDRO CCc1nnc2n1CCN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172920617 1286328416 /nfs/dbraw/zinc/32/84/16/1286328416.db2.gz LJKRZYLLZTVOEC-OAHLLOKOSA-N 1 0 341.415 2.512 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc3n(n1)CCCO3)CC2 ZINC001172910350 1286352487 /nfs/dbraw/zinc/35/24/87/1286352487.db2.gz XVYJXUUIGQGDJO-HNNXBMFYSA-N 1 0 342.399 2.611 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc2cc[nH]c21 ZINC001134150683 1286380100 /nfs/dbraw/zinc/38/01/00/1286380100.db2.gz NUGSLDXJJKGGCY-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO CC[C@H](COC)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009658 1286382097 /nfs/dbraw/zinc/38/20/97/1286382097.db2.gz YIHJQMRPCKYCFU-LLVKDONJSA-N 1 0 343.374 2.856 20 5 EFBDRO COC[C@H]1CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016626 1286385538 /nfs/dbraw/zinc/38/55/38/1286385538.db2.gz MPVIGMSTGVVQMZ-GFCCVEGCSA-N 1 0 341.358 2.563 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2[nH]ccc21 ZINC001134190847 1286437940 /nfs/dbraw/zinc/43/79/40/1286437940.db2.gz WEVJBKZSJNLAML-UHFFFAOYSA-N 1 0 338.367 2.596 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)c2ccccc2)c1F ZINC001173175020 1286451266 /nfs/dbraw/zinc/45/12/66/1286451266.db2.gz IRCLFTZKKXJWAY-SWLSCSKDSA-N 1 0 348.374 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccnc2F)c1F ZINC001173175605 1286451436 /nfs/dbraw/zinc/45/14/36/1286451436.db2.gz DQZRIVYFHTVQHY-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1F ZINC001173176204 1286452256 /nfs/dbraw/zinc/45/22/56/1286452256.db2.gz GMPMCRLPCXTYSG-QJPTWQEYSA-N 1 0 326.368 2.567 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCCN2C)c1F ZINC001173177276 1286452643 /nfs/dbraw/zinc/45/26/43/1286452643.db2.gz SDSWAMXSPUQHNW-QWHCGFSZSA-N 1 0 339.411 2.747 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccc2F)c1F ZINC001173176233 1286452694 /nfs/dbraw/zinc/45/26/94/1286452694.db2.gz GWKWMHFGPLUMTP-JTQLQIEISA-N 1 0 337.326 2.997 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@@](C)(O)CC2)c1F ZINC001173175810 1286452727 /nfs/dbraw/zinc/45/27/27/1286452727.db2.gz TWJFCMYWGISKHI-NVGCLXPQSA-N 1 0 340.395 2.957 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccncc2)c1F ZINC001173175789 1286452755 /nfs/dbraw/zinc/45/27/55/1286452755.db2.gz SPLYKFUMRVDQQX-LBPRGKRZSA-N 1 0 333.363 2.901 20 5 EFBDRO CCCCN(C)CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178104 1286453254 /nfs/dbraw/zinc/45/32/54/1286453254.db2.gz ZWNAJMJFBSRIAA-CYBMUJFWSA-N 1 0 341.427 2.995 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2)c1F ZINC001173179200 1286453492 /nfs/dbraw/zinc/45/34/92/1286453492.db2.gz NYKLSXBAEOXAMK-OLZOCXBDSA-N 1 0 339.411 2.746 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@H]2CO)c1F ZINC001173178415 1286453602 /nfs/dbraw/zinc/45/36/02/1286453602.db2.gz BMJRNQINXZCDDN-SLEUVZQESA-N 1 0 340.395 2.766 20 5 EFBDRO COC[C@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173178311 1286453674 /nfs/dbraw/zinc/45/36/74/1286453674.db2.gz AOIPCRCVPKIUPP-RYUDHWBXSA-N 1 0 326.368 2.642 20 5 EFBDRO CCCCN(C)CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178105 1286453701 /nfs/dbraw/zinc/45/37/01/1286453701.db2.gz ZWNAJMJFBSRIAA-ZDUSSCGKSA-N 1 0 341.427 2.995 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2)c1F ZINC001173179203 1286453854 /nfs/dbraw/zinc/45/38/54/1286453854.db2.gz NYKLSXBAEOXAMK-QWHCGFSZSA-N 1 0 339.411 2.746 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(C)nn2C)c1F ZINC001173180061 1286454673 /nfs/dbraw/zinc/45/46/73/1286454673.db2.gz SNJNHQKKNUWYST-SNVBAGLBSA-N 1 0 336.367 2.505 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CO)CCCC2)c1F ZINC001173179773 1286454730 /nfs/dbraw/zinc/45/47/30/1286454730.db2.gz PPBHODLSQWWKPJ-NSHDSACASA-N 1 0 326.368 2.568 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](CO)CC2)c1F ZINC001173180037 1286454892 /nfs/dbraw/zinc/45/48/92/1286454892.db2.gz ICRXHIQWTZNJMR-CHWSQXEVSA-N 1 0 340.395 2.768 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc(C)c2CC[NH3+])c1F ZINC001173180089 1286454927 /nfs/dbraw/zinc/45/49/27/1286454927.db2.gz TUJIVYYLMOHZMW-SNVBAGLBSA-N 1 0 336.367 2.552 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CN(C(C)(C)C)C2)c1F ZINC001173180184 1286455098 /nfs/dbraw/zinc/45/50/98/1286455098.db2.gz PPTWNDNMZMOJAJ-LLVKDONJSA-N 1 0 339.411 2.746 20 5 EFBDRO CCOC(=O)CCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180431 1286455191 /nfs/dbraw/zinc/45/51/91/1286455191.db2.gz WHYHIWFMKPYGEL-LLVKDONJSA-N 1 0 342.367 2.606 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c1F ZINC001173180206 1286455300 /nfs/dbraw/zinc/45/53/00/1286455300.db2.gz JIKCYVICAHNKQY-BWACUDIHSA-N 1 0 340.395 2.766 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1F ZINC001173184110 1286456346 /nfs/dbraw/zinc/45/63/46/1286456346.db2.gz LJMHHXKNGLWBHU-SGMGOOAPSA-N 1 0 339.411 2.603 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3cccnn3)CC2)c1F ZINC001173189992 1286457551 /nfs/dbraw/zinc/45/75/51/1286457551.db2.gz SPWQMBIIKOQKDC-NSHDSACASA-N 1 0 346.362 2.742 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1F ZINC001173190873 1286457693 /nfs/dbraw/zinc/45/76/93/1286457693.db2.gz ILFMQBVZZQWRKK-GMXVVIOVSA-N 1 0 326.368 2.688 20 5 EFBDRO COc1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])nc1 ZINC001173190848 1286457712 /nfs/dbraw/zinc/45/77/12/1286457712.db2.gz HYWWEWWQGGQYEZ-LLVKDONJSA-N 1 0 349.362 2.867 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOc2cccnc2)c1F ZINC001173190575 1286457984 /nfs/dbraw/zinc/45/79/84/1286457984.db2.gz YWHNERXATNEHQR-GFCCVEGCSA-N 1 0 349.362 2.737 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(F)CCOCC2)c1F ZINC001173190373 1286458313 /nfs/dbraw/zinc/45/83/13/1286458313.db2.gz WODQNABFYYGXBA-LLVKDONJSA-N 1 0 344.358 2.782 20 5 EFBDRO CC[N@@H+]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173192116 1286458796 /nfs/dbraw/zinc/45/87/96/1286458796.db2.gz HZZDCDONJADHJK-QWHCGFSZSA-N 1 0 339.411 2.700 20 5 EFBDRO CC[N@H+](CCC(=O)OC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193320 1286459451 /nfs/dbraw/zinc/45/94/51/1286459451.db2.gz QZZLGWAPGYHFLN-NSHDSACASA-N 1 0 342.367 2.559 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001173215525 1286470359 /nfs/dbraw/zinc/47/03/59/1286470359.db2.gz WLKWHZYALLTFIT-YOEHRIQHSA-N 1 0 330.384 2.555 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cnc2ccc(F)cn21 ZINC001173218391 1286473310 /nfs/dbraw/zinc/47/33/10/1286473310.db2.gz ANQKZWDHKNGYMD-NSHDSACASA-N 1 0 341.346 2.928 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001173220392 1286473883 /nfs/dbraw/zinc/47/38/83/1286473883.db2.gz ZTNJIAACRDPCAZ-VBHSOAQHSA-N 1 0 330.384 2.943 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001173221652 1286475243 /nfs/dbraw/zinc/47/52/43/1286475243.db2.gz OJXXEOPLYYVIPD-CQSZACIVSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001173221997 1286475262 /nfs/dbraw/zinc/47/52/62/1286475262.db2.gz ODEDFXMELLCGAD-CYBMUJFWSA-N 1 0 349.431 2.982 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001173226592 1286480472 /nfs/dbraw/zinc/48/04/72/1286480472.db2.gz RFOROVJCWNKELB-KBXCAEBGSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001173226168 1286480842 /nfs/dbraw/zinc/48/08/42/1286480842.db2.gz VQGBMDJJDIWMIS-ZBFHGGJFSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ncccn2)CC1 ZINC001173226410 1286481009 /nfs/dbraw/zinc/48/10/09/1286481009.db2.gz JVOFFLJDZGVRTA-CQSZACIVSA-N 1 0 342.399 2.859 20 5 EFBDRO CC(C)Oc1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173228956 1286481662 /nfs/dbraw/zinc/48/16/62/1286481662.db2.gz OJFXDDCMSPMKHN-ZDUSSCGKSA-N 1 0 330.388 2.893 20 5 EFBDRO COc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229429 1286481894 /nfs/dbraw/zinc/48/18/94/1286481894.db2.gz UWRBITJSUOPKRI-FZKQIMNGSA-N 1 0 330.384 2.858 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001173226935 1286482113 /nfs/dbraw/zinc/48/21/13/1286482113.db2.gz MUHUJEFWBKVROO-KSSFIOAISA-N 1 0 331.416 2.661 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001173226934 1286482333 /nfs/dbraw/zinc/48/23/33/1286482333.db2.gz MUHUJEFWBKVROO-KDOFPFPSSA-N 1 0 331.416 2.661 20 5 EFBDRO CCO[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]12 ZINC001173228272 1286482380 /nfs/dbraw/zinc/48/23/80/1286482380.db2.gz XROZLAXLWXVVII-PILAGYSTSA-N 1 0 334.416 2.794 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncccn1)C1CC[NH2+]CC1 ZINC001173232791 1286483030 /nfs/dbraw/zinc/48/30/30/1286483030.db2.gz HXIBGYSHBNHGKS-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1cnccn1)C1CC[NH2+]CC1 ZINC001173229928 1286483280 /nfs/dbraw/zinc/48/32/80/1286483280.db2.gz BWDOGGUKVLNADZ-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO COCc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231195 1286483572 /nfs/dbraw/zinc/48/35/72/1286483572.db2.gz YMEMBFIOJFXHDK-AUUYWEPGSA-N 1 0 344.411 2.995 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC001173230236 1286483603 /nfs/dbraw/zinc/48/36/03/1286483603.db2.gz DEQRYUVZOXZDBA-CQSZACIVSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1c1cccnc1 ZINC001173233562 1286483968 /nfs/dbraw/zinc/48/39/68/1286483968.db2.gz XJEBDTYQHTUFCT-KDOFPFPSSA-N 1 0 327.384 2.994 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001173235010 1286484637 /nfs/dbraw/zinc/48/46/37/1286484637.db2.gz VPCWCCNKYSVIJW-FPMFFAJLSA-N 1 0 326.343 2.739 20 5 EFBDRO Cc1cccn2c(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)nnc12 ZINC001173209490 1286485284 /nfs/dbraw/zinc/48/52/84/1286485284.db2.gz CGSLDHXQUQMVFF-ZDUSSCGKSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)COCc1ccccc1 ZINC001173213287 1286486601 /nfs/dbraw/zinc/48/66/01/1286486601.db2.gz HRIYECCAHOUQQM-BEFAXECRSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001173214593 1286487819 /nfs/dbraw/zinc/48/78/19/1286487819.db2.gz PODLRIGNFIBJLJ-CYBMUJFWSA-N 1 0 348.424 2.719 20 5 EFBDRO COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173214273 1286488143 /nfs/dbraw/zinc/48/81/43/1286488143.db2.gz AHBFNAHXUKQWAY-OAHLLOKOSA-N 1 0 335.448 2.616 20 5 EFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001173238318 1286496140 /nfs/dbraw/zinc/49/61/40/1286496140.db2.gz PHWBACCWTURABT-BLLLJJGKSA-N 1 0 346.362 2.608 20 5 EFBDRO Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173238586 1286496261 /nfs/dbraw/zinc/49/62/61/1286496261.db2.gz VVGLUOOQBSEUDY-WMLDXEAASA-N 1 0 342.399 2.778 20 5 EFBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238725 1286497132 /nfs/dbraw/zinc/49/71/32/1286497132.db2.gz WUHJLOTXYODMQI-GOEBONIOSA-N 1 0 333.432 2.762 20 5 EFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001134334391 1286581276 /nfs/dbraw/zinc/58/12/76/1286581276.db2.gz OFULXUHIOXBTEY-UHFFFAOYSA-N 1 0 347.387 2.688 20 5 EFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822712657 1289088574 /nfs/dbraw/zinc/08/85/74/1289088574.db2.gz ZRUIFRQPXMFDKS-HOCLYGCPSA-N 1 0 333.432 2.774 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001095228335 1286710993 /nfs/dbraw/zinc/71/09/93/1286710993.db2.gz FLHCQYAQVIRTPC-UHFFFAOYSA-N 1 0 348.447 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(NCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001095270022 1286845396 /nfs/dbraw/zinc/84/53/96/1286845396.db2.gz VPFYTJYZNKEMMP-UHFFFAOYSA-N 1 0 348.447 2.505 20 5 EFBDRO CC(C)(CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000822818899 1289122648 /nfs/dbraw/zinc/12/26/48/1289122648.db2.gz KHTACTNLIGEYGZ-KRWDZBQOSA-N 1 0 347.459 2.850 20 5 EFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC001174738706 1287145812 /nfs/dbraw/zinc/14/58/12/1287145812.db2.gz WDORPRYWUZKVJZ-UHFFFAOYSA-N 1 0 343.374 2.872 20 5 EFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000822845375 1289130854 /nfs/dbraw/zinc/13/08/54/1289130854.db2.gz NYOCCXPJKDXSBR-GFCCVEGCSA-N 1 0 329.194 2.608 20 5 EFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cs1 ZINC001134789066 1287190806 /nfs/dbraw/zinc/19/08/06/1287190806.db2.gz QUBJLOKMBYRUOC-UHFFFAOYSA-N 1 0 339.804 2.829 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001176412954 1287983169 /nfs/dbraw/zinc/98/31/69/1287983169.db2.gz PHZIKWRFSOTWLJ-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001176412575 1287983531 /nfs/dbraw/zinc/98/35/31/1287983531.db2.gz MRXAPSBFAQFYOE-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO CCOc1cc(COC(=O)C(C)(C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000805614680 1288062709 /nfs/dbraw/zinc/06/27/09/1288062709.db2.gz RQDRHPYKBUJVQL-UHFFFAOYSA-N 1 0 336.388 2.911 20 5 EFBDRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001176920663 1288173016 /nfs/dbraw/zinc/17/30/16/1288173016.db2.gz LKTNKPHFFPBYLJ-UHFFFAOYSA-N 1 0 347.440 2.803 20 5 EFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000816653554 1288229649 /nfs/dbraw/zinc/22/96/49/1288229649.db2.gz XYQYXCJFXFBJII-CQSZACIVSA-N 1 0 333.775 2.955 20 5 EFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000816660719 1288234934 /nfs/dbraw/zinc/23/49/34/1288234934.db2.gz NANKUVJQPQBCSF-GFCCVEGCSA-N 1 0 342.237 2.883 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Cl ZINC000816667565 1288235929 /nfs/dbraw/zinc/23/59/29/1288235929.db2.gz PXVRRKWSJVOCIU-HOTGVXAUSA-N 1 0 340.807 2.658 20 5 EFBDRO Cc1nsc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177107804 1288275586 /nfs/dbraw/zinc/27/55/86/1288275586.db2.gz IENPPGWQQPLATA-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(CF)cc1 ZINC001177169429 1288279071 /nfs/dbraw/zinc/27/90/71/1288279071.db2.gz JQOHKFZKKASTAN-UHFFFAOYSA-N 1 0 345.374 2.974 20 5 EFBDRO CCc1ncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001177293157 1288359204 /nfs/dbraw/zinc/35/92/04/1288359204.db2.gz UFGSPRBHWLYGQI-UHFFFAOYSA-N 1 0 348.428 2.523 20 5 EFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000817121293 1288424844 /nfs/dbraw/zinc/42/48/44/1288424844.db2.gz WDXXIKVJIZTLBA-UHFFFAOYSA-N 1 0 346.431 2.903 20 5 EFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000817315500 1288538497 /nfs/dbraw/zinc/53/84/97/1288538497.db2.gz GFVBXUGHWKWCPO-SNVBAGLBSA-N 1 0 326.784 2.806 20 5 EFBDRO CSCC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177855912 1288572664 /nfs/dbraw/zinc/57/26/64/1288572664.db2.gz OGWKOLXYLNRNPB-UHFFFAOYSA-N 1 0 339.461 2.724 20 5 EFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817413261 1288590385 /nfs/dbraw/zinc/59/03/85/1288590385.db2.gz UXNCWVGLGWEXTN-XYPYZODXSA-N 1 0 325.796 2.630 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817484622 1288614967 /nfs/dbraw/zinc/61/49/67/1288614967.db2.gz YBKWQMDAVHJBHY-UHFFFAOYSA-N 1 0 341.358 2.676 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817494122 1288618533 /nfs/dbraw/zinc/61/85/33/1288618533.db2.gz IJHNVPQQQOPEHP-NSHDSACASA-N 1 0 325.796 2.723 20 5 EFBDRO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+](C)C ZINC000821533838 1288746851 /nfs/dbraw/zinc/74/68/51/1288746851.db2.gz IEKKJZRONCSWCA-VIFPVBQESA-N 1 0 346.334 2.515 20 5 EFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822155700 1288894909 /nfs/dbraw/zinc/89/49/09/1288894909.db2.gz KSCUGJZSPVJQAS-CYBMUJFWSA-N 1 0 337.395 2.976 20 5 EFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]([NH3+])CC2CCCCC2)n1 ZINC000823087361 1289207903 /nfs/dbraw/zinc/20/79/03/1289207903.db2.gz AHEMOVVOSCCBDK-GFCCVEGCSA-N 1 0 348.407 2.609 20 5 EFBDRO C[NH+](C)C1CCC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000823119446 1289214707 /nfs/dbraw/zinc/21/47/07/1289214707.db2.gz STHVBAYZWHLFIY-LCSXWQTCSA-N 1 0 331.416 2.687 20 5 EFBDRO CCCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000823500292 1289322815 /nfs/dbraw/zinc/32/28/15/1289322815.db2.gz WHNMZCNDUDVKBG-IXDOHACOSA-N 1 0 331.416 2.641 20 5 EFBDRO C[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000823933079 1289495256 /nfs/dbraw/zinc/49/52/56/1289495256.db2.gz KCUYCTBTHIURAV-GFCCVEGCSA-N 1 0 347.419 2.515 20 5 EFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938621 1289495402 /nfs/dbraw/zinc/49/54/02/1289495402.db2.gz KAHSSBHPUWWXQR-UHFFFAOYSA-N 1 0 349.435 2.907 20 5 EFBDRO Nc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000823980491 1289505425 /nfs/dbraw/zinc/50/54/25/1289505425.db2.gz NWDMYDKAASZPAZ-UHFFFAOYSA-N 1 0 347.419 2.706 20 5 EFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823988688 1289507726 /nfs/dbraw/zinc/50/77/26/1289507726.db2.gz ZGKWDSBXTZOYLK-CYBMUJFWSA-N 1 0 335.408 2.515 20 5 EFBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000823993426 1289509779 /nfs/dbraw/zinc/50/97/79/1289509779.db2.gz FKJCMHHMDMNKMW-CQSZACIVSA-N 1 0 337.424 2.665 20 5 EFBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000824002713 1289512888 /nfs/dbraw/zinc/51/28/88/1289512888.db2.gz FNFSKBCVCRYBOO-RYUDHWBXSA-N 1 0 335.408 2.561 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000873011391 1289517921 /nfs/dbraw/zinc/51/79/21/1289517921.db2.gz WTYJTPJSMMRCEE-OAHLLOKOSA-N 1 0 330.384 2.741 20 5 EFBDRO Cc1c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873021601 1289524555 /nfs/dbraw/zinc/52/45/55/1289524555.db2.gz NHNTTXCHRVEFIJ-OAHLLOKOSA-N 1 0 332.375 2.983 20 5 EFBDRO Cc1c(C[NH2+]CC(=O)N2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000873028683 1289528421 /nfs/dbraw/zinc/52/84/21/1289528421.db2.gz XREWCWGUEOIKGQ-UHFFFAOYSA-N 1 0 339.395 2.972 20 5 EFBDRO Cc1c(C[NH2+]CCCS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873026758 1289528520 /nfs/dbraw/zinc/52/85/20/1289528520.db2.gz OMXMYGQWMATRMW-UHFFFAOYSA-N 1 0 348.424 2.857 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000873030284 1289529398 /nfs/dbraw/zinc/52/93/98/1289529398.db2.gz DGURHXVPPBBIDB-LBPRGKRZSA-N 1 0 331.338 2.938 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000873051490 1289540380 /nfs/dbraw/zinc/54/03/80/1289540380.db2.gz KFEAWMXWTJZLGY-UHFFFAOYSA-N 1 0 341.411 2.660 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000873050605 1289540938 /nfs/dbraw/zinc/54/09/38/1289540938.db2.gz YDNSRGHQBNUWQB-UHFFFAOYSA-N 1 0 328.434 2.515 20 5 EFBDRO Cc1c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079837 1289556857 /nfs/dbraw/zinc/55/68/57/1289556857.db2.gz IKNLVWYYONTLSQ-RBUKOAKNSA-N 1 0 347.459 2.761 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000873122105 1289579825 /nfs/dbraw/zinc/57/98/25/1289579825.db2.gz OARLEVJWGLSTPB-QAPCUYQASA-N 1 0 348.443 2.869 20 5 EFBDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000873196459 1289635598 /nfs/dbraw/zinc/63/55/98/1289635598.db2.gz SIFCGYSLNMEGPJ-KPZWWZAWSA-N 1 0 346.383 2.824 20 5 EFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000824639101 1289735150 /nfs/dbraw/zinc/73/51/50/1289735150.db2.gz GKHLBKWTRMCHPU-NSHDSACASA-N 1 0 341.358 2.643 20 5 EFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182010394 1290058556 /nfs/dbraw/zinc/05/85/56/1290058556.db2.gz BXCIWVVGPIBFPA-CYBMUJFWSA-N 1 0 347.422 2.646 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000875469850 1290536158 /nfs/dbraw/zinc/53/61/58/1290536158.db2.gz CEZAKMRGUZHTLB-GDBMZVCRSA-N 1 0 331.416 2.768 20 5 EFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825831186 1290730742 /nfs/dbraw/zinc/73/07/42/1290730742.db2.gz SJTGYIFCDIXGKD-HOTGVXAUSA-N 1 0 339.480 2.935 20 5 EFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001166635707 1312808278 /nfs/dbraw/zinc/80/82/78/1312808278.db2.gz DXEMSNJPLBETNX-UHFFFAOYSA-N 1 0 335.404 2.914 20 5 EFBDRO [NH3+]C1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001166665677 1312814571 /nfs/dbraw/zinc/81/45/71/1312814571.db2.gz GQEZTRSVIVPYAB-UHFFFAOYSA-N 1 0 333.779 2.633 20 5 EFBDRO Cc1nn(CN2CCC=C(c3ccco3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000795648941 1290890678 /nfs/dbraw/zinc/89/06/78/1290890678.db2.gz WKRYMJXERUBEKA-UHFFFAOYSA-N 1 0 339.355 2.988 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000876770240 1291016546 /nfs/dbraw/zinc/01/65/46/1291016546.db2.gz KMNQKSOVIKOSDV-UHFFFAOYSA-N 1 0 346.431 2.591 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000876783431 1291023428 /nfs/dbraw/zinc/02/34/28/1291023428.db2.gz BVONSPKOGNMATH-INIZCTEOSA-N 1 0 334.416 2.982 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876846038 1291045726 /nfs/dbraw/zinc/04/57/26/1291045726.db2.gz LTKITNZTXDGRAE-MRXNPFEDSA-N 1 0 339.395 2.828 20 5 EFBDRO C[C@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876916335 1291071497 /nfs/dbraw/zinc/07/14/97/1291071497.db2.gz AKBSUUDXIOVPNR-CYBMUJFWSA-N 1 0 330.388 2.772 20 5 EFBDRO C[C@](CO)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000877159029 1291150827 /nfs/dbraw/zinc/15/08/27/1291150827.db2.gz RBASXEBCFSJCTE-LLVKDONJSA-N 1 0 335.223 2.669 20 5 EFBDRO CCOC(=O)Cc1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000825985737 1291292386 /nfs/dbraw/zinc/29/23/86/1291292386.db2.gz YISBDDXTQFXDJI-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877782856 1291376500 /nfs/dbraw/zinc/37/65/00/1291376500.db2.gz QYKVJDPASQPLDD-SDNWHVSQSA-N 1 0 329.400 2.600 20 5 EFBDRO CCOC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878162441 1291527474 /nfs/dbraw/zinc/52/74/74/1291527474.db2.gz NHSXYZORUGBUDF-LBPRGKRZSA-N 1 0 332.360 2.503 20 5 EFBDRO CCOC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878162439 1291527496 /nfs/dbraw/zinc/52/74/96/1291527496.db2.gz NHSXYZORUGBUDF-GFCCVEGCSA-N 1 0 332.360 2.503 20 5 EFBDRO CCc1cc(N(C)C[C@@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166957480 1312872273 /nfs/dbraw/zinc/87/22/73/1312872273.db2.gz AZASROCJSRHZKY-CYBMUJFWSA-N 1 0 341.415 2.660 20 5 EFBDRO Cc1ccc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000878541567 1291707905 /nfs/dbraw/zinc/70/79/05/1291707905.db2.gz DDBRFDNMYONXKB-QGZVFWFLSA-N 1 0 327.384 2.952 20 5 EFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878682048 1291751817 /nfs/dbraw/zinc/75/18/17/1291751817.db2.gz JQAVBWWVMLYALY-CYBMUJFWSA-N 1 0 345.403 2.561 20 5 EFBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000826076487 1291818207 /nfs/dbraw/zinc/81/82/07/1291818207.db2.gz CJSITBSRZCAAMM-QWRGUYRKSA-N 1 0 325.796 2.769 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1F ZINC000878870352 1291836510 /nfs/dbraw/zinc/83/65/10/1291836510.db2.gz ZHFAGRILLLOMKS-CVEARBPZSA-N 1 0 338.379 2.534 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000775387315 1292176629 /nfs/dbraw/zinc/17/66/29/1292176629.db2.gz XBDOLBYPXHOYJV-APIJFGDWSA-N 1 0 340.470 2.597 20 5 EFBDRO C[N@H+](CCCNC(=O)Cc1ccsc1)Cc1ccccc1[N+](=O)[O-] ZINC001233489073 1312941250 /nfs/dbraw/zinc/94/12/50/1312941250.db2.gz GZMCPCJOSWKKHV-UHFFFAOYSA-N 1 0 347.440 2.837 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc(F)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001233699675 1312974437 /nfs/dbraw/zinc/97/44/37/1312974437.db2.gz UGBLMBCHDXRVKN-JOCQHMNTSA-N 1 0 342.342 2.895 20 5 EFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000882540101 1293238398 /nfs/dbraw/zinc/23/83/98/1293238398.db2.gz XTMGNTXSKNMYFE-LLVKDONJSA-N 1 0 341.358 2.563 20 5 EFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882618649 1293266476 /nfs/dbraw/zinc/26/64/76/1293266476.db2.gz XXPPUYNJZYJKQY-HNNXBMFYSA-N 1 0 344.390 2.882 20 5 EFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000882624843 1293268903 /nfs/dbraw/zinc/26/89/03/1293268903.db2.gz QZUXTKTXZYZAFJ-UHFFFAOYSA-N 1 0 334.420 2.515 20 5 EFBDRO CCOc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882725819 1293298444 /nfs/dbraw/zinc/29/84/44/1293298444.db2.gz BQOYPFLKSDOYKJ-OAHLLOKOSA-N 1 0 349.431 2.731 20 5 EFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000883456948 1293600307 /nfs/dbraw/zinc/60/03/07/1293600307.db2.gz ORFGQQJEXAKOPN-SFHVURJKSA-N 1 0 327.384 2.750 20 5 EFBDRO CC[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233901945 1313014681 /nfs/dbraw/zinc/01/46/81/1313014681.db2.gz PKUSCXFGWSWNLG-SNVBAGLBSA-N 1 0 332.316 2.524 20 5 EFBDRO C[NH+]1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)CC1 ZINC001233902945 1313015326 /nfs/dbraw/zinc/01/53/26/1313015326.db2.gz YVHAIKVAANRGQY-UHFFFAOYSA-N 1 0 332.316 2.524 20 5 EFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000883562609 1293634822 /nfs/dbraw/zinc/63/48/22/1293634822.db2.gz OZPBSXFKJCTVIM-CYBMUJFWSA-N 1 0 336.392 2.599 20 5 EFBDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062134 1293953643 /nfs/dbraw/zinc/95/36/43/1293953643.db2.gz HKAXFMWBDOFOBT-AWEZNQCLSA-N 1 0 327.812 2.841 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1C ZINC000884279725 1294079150 /nfs/dbraw/zinc/07/91/50/1294079150.db2.gz ROUNBYDMAZBGSC-JKSUJKDBSA-N 1 0 339.395 2.779 20 5 EFBDRO CC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000135498511 1294232176 /nfs/dbraw/zinc/23/21/76/1294232176.db2.gz RLJPSCYNUPELRM-UHFFFAOYSA-N 1 0 342.399 2.761 20 5 EFBDRO COc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000884855744 1294268782 /nfs/dbraw/zinc/26/87/82/1294268782.db2.gz PKCOQRQEYQQPRV-CYBMUJFWSA-N 1 0 328.372 2.714 20 5 EFBDRO Cc1ccccc1C[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885929544 1294565418 /nfs/dbraw/zinc/56/54/18/1294565418.db2.gz SFIJKILIIADTMP-UHFFFAOYSA-N 1 0 326.400 2.616 20 5 EFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967347 1294596998 /nfs/dbraw/zinc/59/69/98/1294596998.db2.gz MNISESHJEOZXQO-UKRRQHHQSA-N 1 0 334.420 2.507 20 5 EFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136869057 1294691032 /nfs/dbraw/zinc/69/10/32/1294691032.db2.gz PHGQQOWLKXGADH-KRWDZBQOSA-N 1 0 330.384 2.947 20 5 EFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000137232471 1294719893 /nfs/dbraw/zinc/71/98/93/1294719893.db2.gz OLZLJPNUHATYLX-JTQLQIEISA-N 1 0 327.812 2.954 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000886202750 1294761456 /nfs/dbraw/zinc/76/14/56/1294761456.db2.gz CZYKICGTJMBYRJ-KZNAEPCWSA-N 1 0 339.395 2.994 20 5 EFBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000886212939 1294766427 /nfs/dbraw/zinc/76/64/27/1294766427.db2.gz IMFVAXDLNHCPLZ-IBGZPJMESA-N 1 0 341.411 2.807 20 5 EFBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000886247244 1294786176 /nfs/dbraw/zinc/78/61/76/1294786176.db2.gz LFEMBGSWBVAIRC-OAHLLOKOSA-N 1 0 326.400 2.696 20 5 EFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000886602129 1295048289 /nfs/dbraw/zinc/04/82/89/1295048289.db2.gz KJDHNGWTLDDSEG-FGTMMUONSA-N 1 0 345.443 2.887 20 5 EFBDRO CC(C)OC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000886721855 1295122760 /nfs/dbraw/zinc/12/27/60/1295122760.db2.gz MMPMOGDEJRILNF-UHFFFAOYSA-N 1 0 336.388 2.637 20 5 EFBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000886837686 1295175908 /nfs/dbraw/zinc/17/59/08/1295175908.db2.gz MEIQRYJXXKKLFN-OAHLLOKOSA-N 1 0 332.791 2.790 20 5 EFBDRO CCOC(=O)C[C@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000775892066 1295260606 /nfs/dbraw/zinc/26/06/06/1295260606.db2.gz QFNJPXHIFJACDD-RDJZCZTQSA-N 1 0 338.404 2.586 20 5 EFBDRO CCCSCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234520604 1313144744 /nfs/dbraw/zinc/14/47/44/1313144744.db2.gz AXCOKLAOPGRDMO-UHFFFAOYSA-N 1 0 339.461 2.676 20 5 EFBDRO C/C(=C/C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001234530808 1313148223 /nfs/dbraw/zinc/14/82/23/1313148223.db2.gz ZOAGURGEPPUFJO-KAMYIIQDSA-N 1 0 331.416 2.889 20 5 EFBDRO CCCCCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001234668904 1313180884 /nfs/dbraw/zinc/18/08/84/1313180884.db2.gz RQOUDZNPRGPTBF-OAHLLOKOSA-N 1 0 326.432 2.921 20 5 EFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889826720 1295837850 /nfs/dbraw/zinc/83/78/50/1295837850.db2.gz XINUFDMQJGXFJS-UHFFFAOYSA-N 1 0 347.415 2.740 20 5 EFBDRO O=c1ccc2ncc(O[C@H]3C[NH+]4CCC3CC4)c3c4ccccc4n1c32 ZINC001234711180 1313185606 /nfs/dbraw/zinc/18/56/06/1313185606.db2.gz PIROUMGNWNRJGE-SFHVURJKSA-N 1 0 345.402 2.912 20 5 EFBDRO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2oc3c(O)cccc3c(=O)c12 ZINC001234742931 1313188378 /nfs/dbraw/zinc/18/83/78/1313188378.db2.gz VTHKRYJGBYUPCD-JTQLQIEISA-N 1 0 329.352 2.686 20 5 EFBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000890082018 1295894804 /nfs/dbraw/zinc/89/48/04/1295894804.db2.gz PKKFONKWJZJPRE-UHFFFAOYSA-N 1 0 325.796 2.710 20 5 EFBDRO CC1(C)[C@H](NCc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000903782230 1313203297 /nfs/dbraw/zinc/20/32/97/1313203297.db2.gz HSXXZTJIXZFSFS-NWDGAFQWSA-N 1 0 328.210 2.573 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001201221742 1296669594 /nfs/dbraw/zinc/66/95/94/1296669594.db2.gz GANMZSNDIKEZQE-UHFFFAOYSA-N 1 0 328.372 2.796 20 5 EFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@]4(CCOC4)C3)c2)c1 ZINC000777962424 1297315061 /nfs/dbraw/zinc/31/50/61/1297315061.db2.gz DTUQLHDFRMLBKO-KRWDZBQOSA-N 1 0 328.372 2.528 20 5 EFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000776271132 1297331723 /nfs/dbraw/zinc/33/17/23/1297331723.db2.gz ICEMZNZNLJQHRA-DLBZAZTESA-N 1 0 345.399 2.648 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000776271136 1297331753 /nfs/dbraw/zinc/33/17/53/1297331753.db2.gz ICEMZNZNLJQHRA-IRXDYDNUSA-N 1 0 345.399 2.648 20 5 EFBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275951 1297338966 /nfs/dbraw/zinc/33/89/66/1297338966.db2.gz MATDCPGDPHIEMU-KRWDZBQOSA-N 1 0 334.347 2.778 20 5 EFBDRO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278369 1297352718 /nfs/dbraw/zinc/35/27/18/1297352718.db2.gz VBZVKKSANWOXFR-QGZVFWFLSA-N 1 0 335.448 2.682 20 5 EFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935553603 1297641727 /nfs/dbraw/zinc/64/17/27/1297641727.db2.gz PIUPNGYEFHKXFI-HZPDHXFCSA-N 1 0 331.416 2.641 20 5 EFBDRO COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1N ZINC001236350325 1313472927 /nfs/dbraw/zinc/47/29/27/1313472927.db2.gz RSLZUCBAKRMVNU-UXHICEINSA-N 1 0 334.419 2.925 20 5 EFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000776585302 1299612016 /nfs/dbraw/zinc/61/20/16/1299612016.db2.gz UQADTQZRMRNSFW-SFHVURJKSA-N 1 0 333.432 2.579 20 5 EFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000776586955 1299660654 /nfs/dbraw/zinc/66/06/54/1299660654.db2.gz ROIXWUYUMFQFSL-YESZJQIVSA-N 1 0 334.416 2.908 20 5 EFBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776594028 1299691617 /nfs/dbraw/zinc/69/16/17/1299691617.db2.gz RNZBBBDCARNHEX-IBGZPJMESA-N 1 0 342.395 2.738 20 5 EFBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000852443019 1299705599 /nfs/dbraw/zinc/70/55/99/1299705599.db2.gz HZSNKNNYDUTDET-ZWKOTPCHSA-N 1 0 346.383 2.614 20 5 EFBDRO COc1cccc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776606392 1299751411 /nfs/dbraw/zinc/75/14/11/1299751411.db2.gz WMSCTVMOWKWDEL-QGZVFWFLSA-N 1 0 328.368 2.916 20 5 EFBDRO O=C1OCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000852723600 1299834924 /nfs/dbraw/zinc/83/49/24/1299834924.db2.gz XANJWLBJDVWJAH-UHFFFAOYSA-N 1 0 339.779 2.665 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C(F)(F)F ZINC000853241471 1300062330 /nfs/dbraw/zinc/06/23/30/1300062330.db2.gz KBKIKTXLEVBQCC-VXGBXAGGSA-N 1 0 345.321 2.889 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C(F)(F)F ZINC000853241469 1300062372 /nfs/dbraw/zinc/06/23/72/1300062372.db2.gz KBKIKTXLEVBQCC-RYUDHWBXSA-N 1 0 345.321 2.889 20 5 EFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000853656678 1300216963 /nfs/dbraw/zinc/21/69/63/1300216963.db2.gz XBPAWHRRSOYBGR-UHFFFAOYSA-N 1 0 327.812 2.578 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854185110 1300464453 /nfs/dbraw/zinc/46/44/53/1300464453.db2.gz UYXJATXEFOINEM-NSHDSACASA-N 1 0 326.784 2.854 20 5 EFBDRO C[N@H+](CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000112085339 1300502219 /nfs/dbraw/zinc/50/22/19/1300502219.db2.gz VGSMXNHOQTZHFV-UHFFFAOYSA-N 1 0 349.337 2.735 20 5 EFBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000854497178 1300592478 /nfs/dbraw/zinc/59/24/78/1300592478.db2.gz KBZKMEVOEHXJMV-UHFFFAOYSA-N 1 0 332.360 2.864 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1F ZINC000854894059 1300725155 /nfs/dbraw/zinc/72/51/55/1300725155.db2.gz VJADFQLSEISGPJ-UHFFFAOYSA-N 1 0 341.358 2.786 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000854896009 1300725958 /nfs/dbraw/zinc/72/59/58/1300725958.db2.gz FSMNKZHXTDIJGU-LLVKDONJSA-N 1 0 341.358 2.736 20 5 EFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000855158695 1300820360 /nfs/dbraw/zinc/82/03/60/1300820360.db2.gz HNPUOZXUKIFYTN-AJHXJQRKSA-N 1 0 331.416 2.845 20 5 EFBDRO O=C(CC1CC1)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000963485707 1300939209 /nfs/dbraw/zinc/93/92/09/1300939209.db2.gz SWSKVBXWZCIYDO-UHFFFAOYSA-N 1 0 343.427 2.912 20 5 EFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000776810940 1300943290 /nfs/dbraw/zinc/94/32/90/1300943290.db2.gz IYXRWDCHHVQBBI-DZGCQCFKSA-N 1 0 335.404 2.941 20 5 EFBDRO CC(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000963575628 1301081543 /nfs/dbraw/zinc/08/15/43/1301081543.db2.gz WFVMFEOEPPMKTR-UHFFFAOYSA-N 1 0 331.416 2.768 20 5 EFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000856072501 1301224113 /nfs/dbraw/zinc/22/41/13/1301224113.db2.gz BANBQLRLNXMFGT-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859583168 1301496832 /nfs/dbraw/zinc/49/68/32/1301496832.db2.gz BVKGGLWYLGSWEQ-LJQANCHMSA-N 1 0 342.395 2.957 20 5 EFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859900616 1301628898 /nfs/dbraw/zinc/62/88/98/1301628898.db2.gz DFCWRLJUTTWGOG-MNOVXSKESA-N 1 0 325.796 2.851 20 5 EFBDRO C[C@@H](C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860096122 1301699593 /nfs/dbraw/zinc/69/95/93/1301699593.db2.gz UPCOYSNTMFRWQT-ZDUSSCGKSA-N 1 0 337.420 2.982 20 5 EFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000860502413 1301829765 /nfs/dbraw/zinc/82/97/65/1301829765.db2.gz WRYBDPIYDSNTHN-WDEREUQCSA-N 1 0 325.796 2.803 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001097052872 1313824702 /nfs/dbraw/zinc/82/47/02/1313824702.db2.gz BUAREOPPAPWQQY-SHTZXODSSA-N 1 0 348.447 2.694 20 5 EFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000795487438 1302444586 /nfs/dbraw/zinc/44/45/86/1302444586.db2.gz XXQIOUGXDUFPSZ-CXMBCZLWSA-N 1 0 348.424 2.982 20 5 EFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862790159 1302459606 /nfs/dbraw/zinc/45/96/06/1302459606.db2.gz PYUVPCJHADAYPA-LLVKDONJSA-N 1 0 325.796 2.710 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000862792474 1302460628 /nfs/dbraw/zinc/46/06/28/1302460628.db2.gz WAPFNKCCRFEXKT-NSHDSACASA-N 1 0 325.796 2.710 20 5 EFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794601301 1302835438 /nfs/dbraw/zinc/83/54/38/1302835438.db2.gz DLFGYFMUPOQTSZ-QYZOEREBSA-N 1 0 344.411 2.976 20 5 EFBDRO CC(C)(C)[C@@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794641405 1302847439 /nfs/dbraw/zinc/84/74/39/1302847439.db2.gz XFDDNFJHWOXUTF-GFCCVEGCSA-N 1 0 346.387 2.737 20 5 EFBDRO CN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@@H]1CCC(C)(C)C1 ZINC000794684123 1302924907 /nfs/dbraw/zinc/92/49/07/1302924907.db2.gz IMXBDNZQJMMGFV-CQSZACIVSA-N 1 0 346.387 2.880 20 5 EFBDRO CN(Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[C@H]1CCC(C)(C)C1 ZINC000794684119 1302925039 /nfs/dbraw/zinc/92/50/39/1302925039.db2.gz IMXBDNZQJMMGFV-AWEZNQCLSA-N 1 0 346.387 2.880 20 5 EFBDRO CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCC(C)(C)C1 ZINC000794682568 1302925112 /nfs/dbraw/zinc/92/51/12/1302925112.db2.gz AOGZTGSYGFWPSB-LBPRGKRZSA-N 1 0 331.372 2.659 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865046470 1303135967 /nfs/dbraw/zinc/13/59/67/1303135967.db2.gz KHGUTQBPMSVLOW-CYBMUJFWSA-N 1 0 337.395 2.513 20 5 EFBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000794826166 1303174029 /nfs/dbraw/zinc/17/40/29/1303174029.db2.gz AKYHFUDTNZNSFZ-LBPRGKRZSA-N 1 0 325.368 2.813 20 5 EFBDRO C[NH+]1CCN(CCCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865414752 1303244593 /nfs/dbraw/zinc/24/45/93/1303244593.db2.gz AXJZCOBVQIFKSV-UHFFFAOYSA-N 1 0 347.246 2.951 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000865451624 1303262790 /nfs/dbraw/zinc/26/27/90/1303262790.db2.gz UTAWKFYYYKTLRE-UHFFFAOYSA-N 1 0 337.395 2.681 20 5 EFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)N1CC[NH+](C)CC1 ZINC000865503569 1303286370 /nfs/dbraw/zinc/28/63/70/1303286370.db2.gz UMHVAHVPEYZUDR-LLVKDONJSA-N 1 0 328.363 2.580 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865592652 1303324750 /nfs/dbraw/zinc/32/47/50/1303324750.db2.gz WXZZSKHFHDTJIG-LBPRGKRZSA-N 1 0 341.358 2.691 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000865619539 1303336352 /nfs/dbraw/zinc/33/63/52/1303336352.db2.gz JLMWAPZVVVYJNH-UHFFFAOYSA-N 1 0 337.395 2.681 20 5 EFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865644877 1303348363 /nfs/dbraw/zinc/34/83/63/1303348363.db2.gz XKPMXOIBQOBGKZ-INIZCTEOSA-N 1 0 331.347 2.825 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865737084 1303380903 /nfs/dbraw/zinc/38/09/03/1303380903.db2.gz PJQIVWYDXNMLOO-HNNXBMFYSA-N 1 0 325.384 2.759 20 5 EFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000865914665 1303451705 /nfs/dbraw/zinc/45/17/05/1303451705.db2.gz SKHXBZJPHSAZOL-AWEZNQCLSA-N 1 0 339.411 2.759 20 5 EFBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000865953865 1303468009 /nfs/dbraw/zinc/46/80/09/1303468009.db2.gz CDWGXYFQIPYTMU-OAHLLOKOSA-N 1 0 345.374 2.913 20 5 EFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866224187 1303571690 /nfs/dbraw/zinc/57/16/90/1303571690.db2.gz RKFCWWGPLZXLIK-XIKOKIGWSA-N 1 0 348.374 2.997 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000866242523 1303577294 /nfs/dbraw/zinc/57/72/94/1303577294.db2.gz CIXRKCLDNUZYQS-CNOZUTPLSA-N 1 0 330.359 2.913 20 5 EFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000866272198 1303587686 /nfs/dbraw/zinc/58/76/86/1303587686.db2.gz KOOXJJUYRFTMCZ-NSHDSACASA-N 1 0 326.368 2.986 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1csc(N(C)C)n1 ZINC000866278098 1303589247 /nfs/dbraw/zinc/58/92/47/1303589247.db2.gz MGAOVPPHWIKLML-SNVBAGLBSA-N 1 0 338.408 2.977 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000866386411 1303620227 /nfs/dbraw/zinc/62/02/27/1303620227.db2.gz FOMPWAFUHNHINC-BEOIUYGSSA-N 1 0 342.436 2.944 20 5 EFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000866396277 1303622018 /nfs/dbraw/zinc/62/20/18/1303622018.db2.gz QYPNYOHUUPSNEZ-RISCZKNCSA-N 1 0 345.365 2.984 20 5 EFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867910628 1304014708 /nfs/dbraw/zinc/01/47/08/1304014708.db2.gz NGTAYDZXTWFEEJ-AWEZNQCLSA-N 1 0 337.395 2.513 20 5 EFBDRO Cc1ccccc1C[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942288 1304030620 /nfs/dbraw/zinc/03/06/20/1304030620.db2.gz OIBSJWSRYGFZGV-IFXJQAMLSA-N 1 0 341.411 2.825 20 5 EFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867948592 1304036242 /nfs/dbraw/zinc/03/62/42/1304036242.db2.gz ZGPZEPSWAMPWLW-YTQUADARSA-N 1 0 339.395 2.615 20 5 EFBDRO C[C@H](Cc1ccsc1)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948256 1304036255 /nfs/dbraw/zinc/03/62/55/1304036255.db2.gz QYOKPRJWHIGGPC-BZNIZROVSA-N 1 0 333.413 2.578 20 5 EFBDRO CCc1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867952009 1304039040 /nfs/dbraw/zinc/03/90/40/1304039040.db2.gz SXVMEXHZBKZSDO-IBGZPJMESA-N 1 0 341.411 2.690 20 5 EFBDRO CCS[C@@H]1CCC[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956795 1304042882 /nfs/dbraw/zinc/04/28/82/1304042882.db2.gz UFYOVFSNIMUQSF-FMKPAKJESA-N 1 0 337.445 2.559 20 5 EFBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867957312 1304044737 /nfs/dbraw/zinc/04/47/37/1304044737.db2.gz IWWGJMOGIVDVIC-FZKQIMNGSA-N 1 0 327.384 2.689 20 5 EFBDRO C[C@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000867985468 1304059464 /nfs/dbraw/zinc/05/94/64/1304059464.db2.gz DVNYGZKGXZEPHK-SWXHRNLDSA-N 1 0 337.395 2.802 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000868074960 1304111257 /nfs/dbraw/zinc/11/12/57/1304111257.db2.gz UTYVKHJPDGSDPY-UHFFFAOYSA-N 1 0 348.447 2.905 20 5 EFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868721255 1304439079 /nfs/dbraw/zinc/43/90/79/1304439079.db2.gz SJPJJDRUHVGFBX-UHFFFAOYSA-N 1 0 325.384 2.513 20 5 EFBDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000796514453 1304909820 /nfs/dbraw/zinc/90/98/20/1304909820.db2.gz CAWSNXCCEFOTFK-UHFFFAOYSA-N 1 0 346.836 2.695 20 5 EFBDRO CCOC(C)(C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377113 1305291375 /nfs/dbraw/zinc/29/13/75/1305291375.db2.gz HPEYSTYJSHPXAK-HNNXBMFYSA-N 1 0 336.388 2.527 20 5 EFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795135499 1305423481 /nfs/dbraw/zinc/42/34/81/1305423481.db2.gz IOLWTZPQMGJAND-IUODEOHRSA-N 1 0 334.445 2.850 20 5 EFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870862353 1305638475 /nfs/dbraw/zinc/63/84/75/1305638475.db2.gz PFRSPCPCFFYIHQ-KLPPZKSPSA-N 1 0 325.796 2.724 20 5 EFBDRO C[C@]([NH3+])(C(=O)NC1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870912720 1305679043 /nfs/dbraw/zinc/67/90/43/1305679043.db2.gz KJWUBQJTHPJOMA-GSQSYGFSSA-N 1 0 339.395 2.831 20 5 EFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000870960450 1305711856 /nfs/dbraw/zinc/71/18/56/1305711856.db2.gz BIABSGYQUMDGRL-UHFFFAOYSA-N 1 0 333.432 2.764 20 5 EFBDRO Cc1c(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000796550732 1306254004 /nfs/dbraw/zinc/25/40/04/1306254004.db2.gz FPKAUZGZRXSLRZ-HNNXBMFYSA-N 1 0 335.404 2.956 20 5 EFBDRO CC1(NC(=O)c2ccoc2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045363582 1307279539 /nfs/dbraw/zinc/27/95/39/1307279539.db2.gz MXSJQZCYDIRELL-UHFFFAOYSA-N 1 0 343.383 2.972 20 5 EFBDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000800311754 1307690311 /nfs/dbraw/zinc/69/03/11/1307690311.db2.gz MFDRCNBEFJSFSS-XFXZXTDPSA-N 1 0 339.395 2.904 20 5 EFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900216230 1307784793 /nfs/dbraw/zinc/78/47/93/1307784793.db2.gz SRAQGACLPLWDIA-NWDGAFQWSA-N 1 0 341.770 2.744 20 5 EFBDRO CC(C)[NH+](Cc1cn(C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000900580158 1308349050 /nfs/dbraw/zinc/34/90/50/1308349050.db2.gz FSBHRWUMVMNMRQ-KRWDZBQOSA-N 1 0 347.419 2.539 20 5 EFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1nccc1-c1cccnc1 ZINC000800866363 1308575137 /nfs/dbraw/zinc/57/51/37/1308575137.db2.gz ZLYMRZPALQSDJW-UHFFFAOYSA-N 1 0 337.383 2.985 20 5 EFBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209936297 1314261293 /nfs/dbraw/zinc/26/12/93/1314261293.db2.gz NTXZYHCDHWIRQD-UHFFFAOYSA-N 1 0 345.378 2.812 20 5 EFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900819519 1308726629 /nfs/dbraw/zinc/72/66/29/1308726629.db2.gz JHUKTDHSWLLZSN-JOYOIKCWSA-N 1 0 343.786 2.800 20 5 EFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900884513 1308821827 /nfs/dbraw/zinc/82/18/27/1308821827.db2.gz BOIDOAQKDYGCTD-NSHDSACASA-N 1 0 343.786 2.944 20 5 EFBDRO COC(=O)c1c(CO[C@H]2CC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001223293828 1311239226 /nfs/dbraw/zinc/23/92/26/1311239226.db2.gz FAJMKQRSDWSFMO-HDJSIYSDSA-N 1 0 336.388 2.771 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3C)C[C@H]1[N@@H+]2C ZINC001223330425 1311245555 /nfs/dbraw/zinc/24/55/55/1311245555.db2.gz PHYCPAGHFYGUDM-ONIAQPFYSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)c1ccc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001223414875 1311257946 /nfs/dbraw/zinc/25/79/46/1311257946.db2.gz RMZIPYKARGIGOT-HALDLXJZSA-N 1 0 348.399 2.628 20 5 EFBDRO COC(=O)c1ccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223413423 1311258132 /nfs/dbraw/zinc/25/81/32/1311258132.db2.gz LVVVYAXKCODYEL-QDMKHBRRSA-N 1 0 334.372 2.523 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001223447836 1311262316 /nfs/dbraw/zinc/26/23/16/1311262316.db2.gz BBCXAVYFOOPMJV-CTYIDZIISA-N 1 0 336.388 2.771 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223490277 1311267756 /nfs/dbraw/zinc/26/77/56/1311267756.db2.gz RSZBEFBAUKSDAX-VIKVFOODSA-N 1 0 335.360 2.750 20 5 EFBDRO COC(=O)[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC001223648501 1311286873 /nfs/dbraw/zinc/28/68/73/1311286873.db2.gz NJIMUXZYJDQQDQ-OSRSDYAFSA-N 1 0 348.399 2.556 20 5 EFBDRO COC(=O)[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC001223648493 1311286891 /nfs/dbraw/zinc/28/68/91/1311286891.db2.gz NJIMUXZYJDQQDQ-DLTLXFJOSA-N 1 0 348.399 2.556 20 5 EFBDRO COC(=O)c1cccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001223665060 1311288998 /nfs/dbraw/zinc/28/89/98/1311288998.db2.gz IKRZMLZKCDKIML-FVCICTRLSA-N 1 0 348.399 2.628 20 5 EFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3cccc(C)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001223665153 1311289023 /nfs/dbraw/zinc/28/90/23/1311289023.db2.gz OXUALENWRASVQJ-MWDXBVQZSA-N 1 0 348.399 2.587 20 5 EFBDRO COC(=O)c1cc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001223691326 1311292475 /nfs/dbraw/zinc/29/24/75/1311292475.db2.gz RGOMHRRJEICTOW-KOMQPUFPSA-N 1 0 336.388 2.771 20 5 EFBDRO COC(=O)c1cc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001223688268 1311292670 /nfs/dbraw/zinc/29/26/70/1311292670.db2.gz HFAYEICHAUXKFZ-MIFYACCESA-N 1 0 334.372 2.523 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)OCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001223909636 1311319440 /nfs/dbraw/zinc/31/94/40/1311319440.db2.gz OYYTWXCFHHSMMV-GFCCVEGCSA-N 1 0 326.393 2.859 20 5 EFBDRO CCOC(=O)c1ccc(CO[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c1 ZINC001223966784 1311326572 /nfs/dbraw/zinc/32/65/72/1311326572.db2.gz NZZINSCEWNGYJM-OAHLLOKOSA-N 1 0 336.388 2.772 20 5 EFBDRO CCOC(=O)c1ccc(COC2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC001223967233 1311327320 /nfs/dbraw/zinc/32/73/20/1311327320.db2.gz WFCUEYLXENBJNB-UHFFFAOYSA-N 1 0 336.388 2.772 20 5 EFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@H](C)c3ccc([N+](=O)[O-])cc3)C[C@H]1[N@@H+]2C ZINC001224027124 1311333813 /nfs/dbraw/zinc/33/38/13/1311333813.db2.gz UPNDIMWPXFHSEF-AJAORCOTSA-N 1 0 348.399 2.839 20 5 EFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224099577 1311341834 /nfs/dbraw/zinc/34/18/34/1311341834.db2.gz GKOXSGIERBARPR-DRXBFXEBSA-N 1 0 335.360 2.750 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224115304 1311344879 /nfs/dbraw/zinc/34/48/79/1311344879.db2.gz SOJVUEOOSMNOEB-UKRRQHHQSA-N 1 0 328.372 2.737 20 5 EFBDRO Cc1cnc(COC[C@H]2CCC3(CC[NH+](C)CC3)O2)c(C)c1[N+](=O)[O-] ZINC001224183158 1311357195 /nfs/dbraw/zinc/35/71/95/1311357195.db2.gz NUKJQEXNDDUPLV-OAHLLOKOSA-N 1 0 349.431 2.767 20 5 EFBDRO Cc1cc(NCC2(NC(=O)CC[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001103455413 1311359065 /nfs/dbraw/zinc/35/90/65/1311359065.db2.gz BHRNNPPOQSMYRH-UHFFFAOYSA-N 1 0 348.447 2.696 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COCCc3ccc([N+](=O)[O-])cc3)O2)CC1 ZINC001224327536 1311376293 /nfs/dbraw/zinc/37/62/93/1311376293.db2.gz DDKIKRPISJEVKH-QGZVFWFLSA-N 1 0 334.416 2.797 20 5 EFBDRO C[NH+]1CCC(CO[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC001224455467 1311393450 /nfs/dbraw/zinc/39/34/50/1311393450.db2.gz UNXFRSLXBNYWEW-AWEZNQCLSA-N 1 0 337.395 2.671 20 5 EFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2OCCC[N+](C)(C)C)C1 ZINC001224619796 1311414564 /nfs/dbraw/zinc/41/45/64/1311414564.db2.gz QUSLNOUPOMVHNQ-CRAIPNDOSA-N 1 0 327.489 2.889 20 5 EFBDRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2OCC[N+](C)(C)C)CC1 ZINC001224771135 1311432771 /nfs/dbraw/zinc/43/27/71/1311432771.db2.gz HCSFHEHAEMUEAB-HNNXBMFYSA-N 1 0 327.489 2.889 20 5 EFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c(F)c1 ZINC001159031990 1311437432 /nfs/dbraw/zinc/43/74/32/1311437432.db2.gz PUOZIBPEJKOBHV-UHFFFAOYSA-N 1 0 328.347 2.728 20 5 EFBDRO CC(C)(F)C(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159040936 1311439778 /nfs/dbraw/zinc/43/97/78/1311439778.db2.gz QESSHVZFOSLVTJ-UHFFFAOYSA-N 1 0 349.406 2.981 20 5 EFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042376 1311440361 /nfs/dbraw/zinc/44/03/61/1311440361.db2.gz TWWWXEXNBIXGNA-UHFFFAOYSA-N 1 0 332.791 2.986 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1OCc1ccccc1 ZINC001225215480 1311490556 /nfs/dbraw/zinc/49/05/56/1311490556.db2.gz MGEUZBJWTXEGFB-QGZVFWFLSA-N 1 0 344.431 2.628 20 5 EFBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1 ZINC001159343796 1311499197 /nfs/dbraw/zinc/49/91/97/1311499197.db2.gz MMCMZEHMGYBRQD-UHFFFAOYSA-N 1 0 344.371 2.817 20 5 EFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1C[NH2+]CCO1 ZINC001159499508 1311527850 /nfs/dbraw/zinc/52/78/50/1311527850.db2.gz ANLMGNIVUKBSFX-IAQYHMDHSA-N 1 0 346.362 2.585 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621048 1311554869 /nfs/dbraw/zinc/55/48/69/1311554869.db2.gz ZZCLCYPXIGNMCM-CHWSQXEVSA-N 1 0 329.356 2.910 20 5 EFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628944 1311556168 /nfs/dbraw/zinc/55/61/68/1311556168.db2.gz AHUICWRPKMUYJH-KGLIPLIRSA-N 1 0 328.372 2.989 20 5 EFBDRO C[C@H](Oc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225631913 1311556533 /nfs/dbraw/zinc/55/65/33/1311556533.db2.gz ILMVMSLGVSETQE-YOEHRIQHSA-N 1 0 343.383 2.658 20 5 EFBDRO C[C@@H](Oc1cccnc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225630083 1311556565 /nfs/dbraw/zinc/55/65/65/1311556565.db2.gz VRMWHTZWVQOAAX-PBHICJAKSA-N 1 0 343.383 2.658 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159653321 1311559617 /nfs/dbraw/zinc/55/96/17/1311559617.db2.gz GUUHHCWHWFYJHZ-HNNXBMFYSA-N 1 0 341.415 2.691 20 5 EFBDRO O=[N+]([O-])c1cnc(OC2CCN(CCF)CC2)c(C(F)(F)F)c1 ZINC001225893211 1311587012 /nfs/dbraw/zinc/58/70/12/1311587012.db2.gz OFSKKOAFMHELLB-UHFFFAOYSA-N 1 0 337.273 2.821 20 5 EFBDRO Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159994622 1311625687 /nfs/dbraw/zinc/62/56/87/1311625687.db2.gz QRYOUSQRYHCHGL-UHFFFAOYSA-N 1 0 340.383 2.692 20 5 EFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(N)c([N+](=O)[O-])cn3)c2c1 ZINC001160012392 1311628407 /nfs/dbraw/zinc/62/84/07/1311628407.db2.gz SBBUBZMHGQXVIL-NSHDSACASA-N 1 0 325.372 2.714 20 5 EFBDRO COC(=O)Cc1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001226215140 1311631495 /nfs/dbraw/zinc/63/14/95/1311631495.db2.gz VETOTUQENREZHA-UHFFFAOYSA-N 1 0 336.388 2.562 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001226260396 1311638826 /nfs/dbraw/zinc/63/88/26/1311638826.db2.gz ZDOYWEGXQOSYLT-BJHJDKERSA-N 1 0 341.795 2.665 20 5 EFBDRO COc1cc(Br)c(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226279344 1311641567 /nfs/dbraw/zinc/64/15/67/1311641567.db2.gz JRDAUDZPZJJMIW-MRVPVSSYSA-N 1 0 333.182 2.695 20 5 EFBDRO O=C(NCCC1=CC[N@H+](CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098145 1311643513 /nfs/dbraw/zinc/64/35/13/1311643513.db2.gz UWPRHABVNZPDCB-QZTJIDSGSA-N 1 0 349.475 2.760 20 5 EFBDRO O=C(NCCC1=CC[N@H+](CCC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107338 1311645333 /nfs/dbraw/zinc/64/53/33/1311645333.db2.gz NKNKXJPUGBWAEP-QZTJIDSGSA-N 1 0 347.459 2.681 20 5 EFBDRO Nc1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160129521 1311649503 /nfs/dbraw/zinc/64/95/03/1311649503.db2.gz GKTBXWJVFCZTJN-LLVKDONJSA-N 1 0 332.335 2.800 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(N2c3ccccc3OC[C@H]2C[NH3+])nc1Cl ZINC001160200093 1311663496 /nfs/dbraw/zinc/66/34/96/1311663496.db2.gz OEXABQXWDPCOQK-SNVBAGLBSA-N 1 0 334.763 2.809 20 5 EFBDRO COc1ncc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160234309 1311670060 /nfs/dbraw/zinc/67/00/60/1311670060.db2.gz VSSOWGQTJLMTQP-CYBMUJFWSA-N 1 0 344.371 2.873 20 5 EFBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160297295 1311683636 /nfs/dbraw/zinc/68/36/36/1311683636.db2.gz UDGNGXNVDSDZRI-UHFFFAOYSA-N 1 0 330.363 2.883 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001160344441 1311694829 /nfs/dbraw/zinc/69/48/29/1311694829.db2.gz MZGXGATYGOVPSD-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO CSCC1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000902393250 1311706478 /nfs/dbraw/zinc/70/64/78/1311706478.db2.gz ODJLCGBYVRRDNV-UHFFFAOYSA-N 1 0 337.401 2.535 20 5 EFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711813 1311711190 /nfs/dbraw/zinc/71/11/90/1311711190.db2.gz GOPIWWDIPOMQII-ZFWWWQNUSA-N 1 0 328.372 2.989 20 5 EFBDRO C[NH+]1CCC2(CC[C@H](COc3c(F)cc([N+](=O)[O-])cc3F)O2)CC1 ZINC001226744782 1311717562 /nfs/dbraw/zinc/71/75/62/1311717562.db2.gz UCKBJZNAAHWHKF-GFCCVEGCSA-N 1 0 342.342 2.895 20 5 EFBDRO O=C(/C=C\C1CC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226777521 1311721676 /nfs/dbraw/zinc/72/16/76/1311721676.db2.gz CYAYUWVZPNMRHV-YVMONPNESA-N 1 0 329.400 2.642 20 5 EFBDRO CC(C)[NH+]1CCC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001226805191 1311726247 /nfs/dbraw/zinc/72/62/47/1311726247.db2.gz WTKVOESDFIZPIN-UHFFFAOYSA-N 1 0 334.351 2.929 20 5 EFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808432 1311726882 /nfs/dbraw/zinc/72/68/82/1311726882.db2.gz VYOAAAIVNFJPSC-NSHDSACASA-N 1 0 334.351 2.929 20 5 EFBDRO CC(C)(C)[NH+]1CCC(Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227094399 1311760905 /nfs/dbraw/zinc/76/09/05/1311760905.db2.gz AIZMQQIGQVAYLY-UHFFFAOYSA-N 1 0 346.387 2.885 20 5 EFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227104652 1311762033 /nfs/dbraw/zinc/76/20/33/1311762033.db2.gz ANTJOLWYVGKNHB-CQSZACIVSA-N 1 0 344.327 2.551 20 5 EFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CCN1C ZINC001160739646 1311772287 /nfs/dbraw/zinc/77/22/87/1311772287.db2.gz VJMFECDURUZKIJ-OAQYLSRUSA-N 1 0 347.462 2.855 20 5 EFBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCC(F)(F)CC3)c21 ZINC001160753576 1311774908 /nfs/dbraw/zinc/77/49/08/1311774908.db2.gz MQNNTGZUSVWSCZ-UHFFFAOYSA-N 1 0 337.330 2.681 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160763487 1311776339 /nfs/dbraw/zinc/77/63/39/1311776339.db2.gz BMOFJRBWGDXARY-UHFFFAOYSA-N 1 0 349.350 2.949 20 5 EFBDRO CCOc1nc(-n2cc(C[NH3+])c3c2cccc3OC)ccc1[N+](=O)[O-] ZINC001160765250 1311776902 /nfs/dbraw/zinc/77/69/02/1311776902.db2.gz MLFORJIMBUROBU-UHFFFAOYSA-N 1 0 342.355 2.800 20 5 EFBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160765490 1311777073 /nfs/dbraw/zinc/77/70/73/1311777073.db2.gz XHFFEIRDMJWOMF-UHFFFAOYSA-N 1 0 337.339 2.882 20 5 EFBDRO Cn1ccnc1[C@H](NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902481424 1311780916 /nfs/dbraw/zinc/78/09/16/1311780916.db2.gz CRUNIWSHQAMSHV-NVXWUHKLSA-N 1 0 343.431 2.540 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227449947 1311807713 /nfs/dbraw/zinc/80/77/13/1311807713.db2.gz YCBLJBPTYWBXBW-CYBMUJFWSA-N 1 0 342.395 2.640 20 5 EFBDRO CC(C)(C)[C@H](C[NH3+])Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001160918015 1311810118 /nfs/dbraw/zinc/81/01/18/1311810118.db2.gz SPAKQSMRDUVJPQ-AWEZNQCLSA-N 1 0 333.367 2.976 20 5 EFBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001227544651 1311819632 /nfs/dbraw/zinc/81/96/32/1311819632.db2.gz PMBVERKBMXODPA-DDFAGTSDSA-N 1 0 340.401 2.552 20 5 EFBDRO Cc1cc(NCC[C@H]2CCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160971116 1311824344 /nfs/dbraw/zinc/82/43/44/1311824344.db2.gz VZGAVKHLNYHVDK-OAHLLOKOSA-N 1 0 341.415 2.678 20 5 EFBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160970963 1311824401 /nfs/dbraw/zinc/82/44/01/1311824401.db2.gz STCXRNIDEJZUBB-CQSZACIVSA-N 1 0 327.388 2.948 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(I)cc1F ZINC001227585773 1311825134 /nfs/dbraw/zinc/82/51/34/1311825134.db2.gz WJRWDEFOHQLCHK-SECBINFHSA-N 1 0 338.184 2.904 20 5 EFBDRO CC(C)CCOC(=O)c1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227589759 1311825806 /nfs/dbraw/zinc/82/58/06/1311825806.db2.gz CPKKZAFYVFAGEM-CYBMUJFWSA-O 1 0 340.440 2.774 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227603558 1311827802 /nfs/dbraw/zinc/82/78/02/1311827802.db2.gz HAKYVESUDPRXTH-CYBMUJFWSA-N 1 0 332.278 2.966 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227603559 1311827837 /nfs/dbraw/zinc/82/78/37/1311827837.db2.gz HAKYVESUDPRXTH-ZDUSSCGKSA-N 1 0 332.278 2.966 20 5 EFBDRO C[C@@H]1CN(C(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)CC[NH2+]1 ZINC001161026449 1311840732 /nfs/dbraw/zinc/84/07/32/1311840732.db2.gz ITCKXPRUEWKVCU-LLVKDONJSA-N 1 0 338.436 2.831 20 5 EFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000902541978 1311853750 /nfs/dbraw/zinc/85/37/50/1311853750.db2.gz KORCOZZXVUSDJA-INIZCTEOSA-N 1 0 345.447 2.873 20 5 EFBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001228061944 1311896686 /nfs/dbraw/zinc/89/66/86/1311896686.db2.gz YRQTWFDUPRGAED-TXEJJXNPSA-N 1 0 341.795 2.665 20 5 EFBDRO COCCC1(CNc2ccc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]CC1 ZINC001161503715 1311902195 /nfs/dbraw/zinc/90/21/95/1311902195.db2.gz RCIURFCPKFOHOO-UHFFFAOYSA-N 1 0 344.415 2.961 20 5 EFBDRO CCOc1nc(N2CCC([NH3+])(CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001161575736 1311920136 /nfs/dbraw/zinc/92/01/36/1311920136.db2.gz BDBUPVUCRXLJNU-UHFFFAOYSA-N 1 0 334.420 2.876 20 5 EFBDRO [NH3+]C1(c2cccnc2)CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161587524 1311922891 /nfs/dbraw/zinc/92/28/91/1311922891.db2.gz OOTGATFXEYTQRE-UHFFFAOYSA-N 1 0 349.394 2.992 20 5 EFBDRO COc1ncnc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161675183 1311947958 /nfs/dbraw/zinc/94/79/58/1311947958.db2.gz QOSCMNUHEVADRG-HAQNSBGRSA-N 1 0 337.424 2.516 20 5 EFBDRO COc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161677077 1311948695 /nfs/dbraw/zinc/94/86/95/1311948695.db2.gz GZPCMKNCJXAWNB-HAQNSBGRSA-N 1 0 337.424 2.516 20 5 EFBDRO C[NH+]1CCC(Oc2c(F)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001228484121 1311954897 /nfs/dbraw/zinc/95/48/97/1311954897.db2.gz PJBBOIPNQPUIPX-UHFFFAOYSA-N 1 0 333.157 2.969 20 5 EFBDRO Cc1nc(O[C@H]2CCC[N@@H+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC001228621040 1311971247 /nfs/dbraw/zinc/97/12/47/1311971247.db2.gz LEFVBFVBUVAYQV-JTQLQIEISA-N 1 0 344.209 2.924 20 5 EFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228655076 1311976490 /nfs/dbraw/zinc/97/64/90/1311976490.db2.gz PGZVDJRBNJQXTP-XJKSGUPXSA-N 1 0 328.372 2.674 20 5 EFBDRO Cc1ncc([N+](=O)[O-])c(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)n1 ZINC001161822743 1311982166 /nfs/dbraw/zinc/98/21/66/1311982166.db2.gz WYQITWGSGTVQJP-INIZCTEOSA-N 1 0 345.378 2.985 20 5 EFBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885900 1311995782 /nfs/dbraw/zinc/99/57/82/1311995782.db2.gz FVIYOSAUDZJKRW-AWEZNQCLSA-N 1 0 327.388 2.649 20 5 EFBDRO Cc1cc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc2ccc([N+](=O)[O-])cc12 ZINC001161954134 1312013206 /nfs/dbraw/zinc/01/32/06/1312013206.db2.gz OLBQPDBJSKPVKL-CYBMUJFWSA-N 1 0 330.388 2.630 20 5 EFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1C(F)(F)F ZINC001228936112 1312023086 /nfs/dbraw/zinc/02/30/86/1312023086.db2.gz PCOMPVIRTKHJKX-SNVBAGLBSA-N 1 0 340.749 2.721 20 5 EFBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228939213 1312023759 /nfs/dbraw/zinc/02/37/59/1312023759.db2.gz SQILOGKJRVZJNT-QMMMGPOBSA-N 1 0 333.157 2.969 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001228962768 1312027881 /nfs/dbraw/zinc/02/78/81/1312027881.db2.gz MQCXKXKUGIEVMS-ZDUSSCGKSA-N 1 0 340.763 2.508 20 5 EFBDRO O=[N+]([O-])c1cc2c(cc1NCc1ccc(Br)nc1)C[NH2+]C2 ZINC001162015302 1312030622 /nfs/dbraw/zinc/03/06/22/1312030622.db2.gz RXJVOUDQACWVRX-UHFFFAOYSA-N 1 0 349.188 2.968 20 5 EFBDRO CCC(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048689601 1312047240 /nfs/dbraw/zinc/04/72/40/1312047240.db2.gz NFEDCEAHADYTDL-CALCHBBNSA-N 1 0 345.443 2.921 20 5 EFBDRO CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCN(C)C1 ZINC001229230670 1312064346 /nfs/dbraw/zinc/06/43/46/1312064346.db2.gz VZHIORCDTNHSOT-JTQLQIEISA-N 1 0 343.177 2.643 20 5 EFBDRO O=C(CCC1CC1)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048731331 1312084538 /nfs/dbraw/zinc/08/45/38/1312084538.db2.gz VYDZWDNLQKKTNA-CALCHBBNSA-N 1 0 343.427 2.675 20 5 EFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)n1 ZINC001162349993 1312092262 /nfs/dbraw/zinc/09/22/62/1312092262.db2.gz OVWJJFKEOOAIRF-CQSZACIVSA-N 1 0 325.800 2.681 20 5 EFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001162397863 1312098067 /nfs/dbraw/zinc/09/80/67/1312098067.db2.gz ZJXCINLAKJRCFW-VXGBXAGGSA-N 1 0 329.360 2.859 20 5 EFBDRO [NH3+]CCCP(CCCNc1cc([N+](=O)[O-])ccn1)c1ccccc1 ZINC001162464219 1312108284 /nfs/dbraw/zinc/10/82/84/1312108284.db2.gz SPCCZEQSGAUWNT-UHFFFAOYSA-N 1 0 346.371 2.948 20 5 EFBDRO [NH3+]CCCP(CCCNc1cccc([N+](=O)[O-])n1)c1ccccc1 ZINC001162463913 1312108326 /nfs/dbraw/zinc/10/83/26/1312108326.db2.gz CKEYXADCSTVNDX-UHFFFAOYSA-N 1 0 346.371 2.948 20 5 EFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162467473 1312109242 /nfs/dbraw/zinc/10/92/42/1312109242.db2.gz QQHYAROSBBKNKJ-STQMWFEESA-N 1 0 335.404 2.819 20 5 EFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229563703 1312114441 /nfs/dbraw/zinc/11/44/41/1312114441.db2.gz VJPAYDFPCNTALV-JTQLQIEISA-N 1 0 330.182 2.615 20 5 EFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc2cccnc2c2ncccc12 ZINC001162537329 1312120759 /nfs/dbraw/zinc/12/07/59/1312120759.db2.gz RHHRXMIYVMWXQI-UHFFFAOYSA-N 1 0 347.378 2.604 20 5 EFBDRO [NH3+]Cc1cccc(-c2cncn2-c2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001162569742 1312126343 /nfs/dbraw/zinc/12/63/43/1312126343.db2.gz XSJLWFRUDWMCPE-UHFFFAOYSA-N 1 0 346.350 2.849 20 5 EFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162672666 1312148355 /nfs/dbraw/zinc/14/83/55/1312148355.db2.gz DFSPAAJKGHJIGR-ZWNOBZJWSA-N 1 0 347.806 2.598 20 5 EFBDRO CC[NH+](CC)C[C@H](C)Oc1c([N+](=O)[O-])cc(C)c(OC)c1[N+](=O)[O-] ZINC001229871636 1312152369 /nfs/dbraw/zinc/15/23/69/1312152369.db2.gz YPJHWOWDNTWATE-NSHDSACASA-N 1 0 341.364 2.929 20 5 EFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229920933 1312160004 /nfs/dbraw/zinc/16/00/04/1312160004.db2.gz WJHGYIUWRXVRQC-UHFFFAOYSA-N 1 0 329.784 2.523 20 5 EFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001162728579 1312161692 /nfs/dbraw/zinc/16/16/92/1312161692.db2.gz CKGNRZLDBVOVHX-HNNXBMFYSA-N 1 0 341.383 2.585 20 5 EFBDRO CCOc1cnc(-n2c3ccccc3nc2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001162759686 1312169554 /nfs/dbraw/zinc/16/95/54/1312169554.db2.gz SRIFNCPFMKNUMW-JTQLQIEISA-N 1 0 327.344 2.747 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c2ncnc(Cl)c2c1 ZINC001162808680 1312180436 /nfs/dbraw/zinc/18/04/36/1312180436.db2.gz VWXDXZJVRVIXGH-KWQFWETISA-N 1 0 339.758 2.551 20 5 EFBDRO CN1CCc2c(c([N+](=O)[O-])ccc2N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001162853912 1312190647 /nfs/dbraw/zinc/19/06/47/1312190647.db2.gz ORFHGPZNZBJJAP-CQSZACIVSA-N 1 0 338.411 2.604 20 5 EFBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)nc1-2 ZINC001230225304 1312206852 /nfs/dbraw/zinc/20/68/52/1312206852.db2.gz OUXUZYYSDIULDN-ZDUSSCGKSA-N 1 0 339.355 2.519 20 5 EFBDRO CN(C)c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c([N+](=O)[O-])c1 ZINC001162964074 1312213462 /nfs/dbraw/zinc/21/34/62/1312213462.db2.gz XNBBEDFTTAJUJB-OAHLLOKOSA-N 1 0 348.447 2.622 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001162969748 1312215026 /nfs/dbraw/zinc/21/50/26/1312215026.db2.gz AIWHJOHDPBCEFI-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001162974382 1312215860 /nfs/dbraw/zinc/21/58/60/1312215860.db2.gz FQYXRZANRIZMJX-UHFFFAOYSA-N 1 0 342.399 2.516 20 5 EFBDRO Cc1cnc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC001162974514 1312216022 /nfs/dbraw/zinc/21/60/22/1312216022.db2.gz GJVQLTSNQQESKL-UHFFFAOYSA-N 1 0 348.428 2.578 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)NC2CC3(C2)CCC[NH2+]C3)nc1Cl ZINC001162982016 1312218002 /nfs/dbraw/zinc/21/80/02/1312218002.db2.gz ZAIUWVOZGTWNBT-UHFFFAOYSA-N 1 0 346.765 2.814 20 5 EFBDRO Cc1ccc2c(c1)[C@H](Nc1nccnc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163023321 1312227892 /nfs/dbraw/zinc/22/78/92/1312227892.db2.gz CJSRWMSSCBBHHO-OAHLLOKOSA-N 1 0 339.399 2.871 20 5 EFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2scc(Br)c21 ZINC001230362950 1312229314 /nfs/dbraw/zinc/22/93/14/1312229314.db2.gz QUCPQZFYEPQCCT-QMMMGPOBSA-N 1 0 331.259 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163055604 1312233414 /nfs/dbraw/zinc/23/34/14/1312233414.db2.gz APALXZSFEWGVTJ-NSHDSACASA-N 1 0 335.795 2.666 20 5 EFBDRO CC(C)Oc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)ccc1[N+](=O)[O-] ZINC001163058672 1312233871 /nfs/dbraw/zinc/23/38/71/1312233871.db2.gz OWADNUIXKANIPZ-CYBMUJFWSA-N 1 0 346.387 2.555 20 5 EFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2nccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001163058932 1312233885 /nfs/dbraw/zinc/23/38/85/1312233885.db2.gz VXTGYUGCYUQBCS-AWEZNQCLSA-N 1 0 338.367 2.921 20 5 EFBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)ccc1C(F)(F)F ZINC001163090523 1312238736 /nfs/dbraw/zinc/23/87/36/1312238736.db2.gz VZAMUVNUMGRWED-SNVBAGLBSA-N 1 0 345.321 2.794 20 5 EFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)c2ccccc21 ZINC001163094716 1312239531 /nfs/dbraw/zinc/23/95/31/1312239531.db2.gz BABMXUTWXCWKRD-ZDUSSCGKSA-N 1 0 327.384 2.929 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NCc3noc4c3C[NH2+]CC4)nc21 ZINC001163129937 1312247516 /nfs/dbraw/zinc/24/75/16/1312247516.db2.gz RFYUEQXULTZGHE-UHFFFAOYSA-N 1 0 343.318 2.528 20 5 EFBDRO CC(C)(F)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163132799 1312247764 /nfs/dbraw/zinc/24/77/64/1312247764.db2.gz HRYLROGUNDYXBJ-UHFFFAOYSA-N 1 0 337.395 2.719 20 5 EFBDRO CC(C)(F)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163133327 1312248012 /nfs/dbraw/zinc/24/80/12/1312248012.db2.gz RQMYLPUXIYCWDD-UHFFFAOYSA-N 1 0 337.395 2.719 20 5 EFBDRO O=C(CC1CC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163138443 1312249716 /nfs/dbraw/zinc/24/97/16/1312249716.db2.gz RYXUBOMKUVKAAB-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CCCC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163156686 1312252861 /nfs/dbraw/zinc/25/28/61/1312252861.db2.gz JKGFTSDOFGWNSA-UHFFFAOYSA-N 1 0 325.434 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163173184 1312257006 /nfs/dbraw/zinc/25/70/06/1312257006.db2.gz XOHFJHRQOKUTLS-GLXFQSAKSA-N 1 0 345.321 2.650 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc2ccccc21 ZINC001163177359 1312258143 /nfs/dbraw/zinc/25/81/43/1312258143.db2.gz FTFFTEPZOBONLK-QBIMZIAESA-N 1 0 327.384 2.784 20 5 EFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163178057 1312258613 /nfs/dbraw/zinc/25/86/13/1312258613.db2.gz RHKGGVBTYBMPDO-LBTNJELSSA-N 1 0 349.431 2.727 20 5 EFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccco1 ZINC001163181160 1312259194 /nfs/dbraw/zinc/25/91/94/1312259194.db2.gz UJQVDGJJERYURD-UHFFFAOYSA-N 1 0 343.383 2.878 20 5 EFBDRO [NH3+]Cc1ccc(-c2cn(-c3cc(Cl)ncc3[N+](=O)[O-])cn2)cc1 ZINC001163216225 1312265611 /nfs/dbraw/zinc/26/56/11/1312265611.db2.gz VDZPLWDBCFCJGD-UHFFFAOYSA-N 1 0 329.747 2.955 20 5 EFBDRO CN1Cc2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc([N+](=O)[O-])c2N1 ZINC001163220968 1312266926 /nfs/dbraw/zinc/26/69/26/1312266926.db2.gz YQJDKBIJLNEJOA-WBVHZDCISA-N 1 0 339.399 2.882 20 5 EFBDRO CC(C)=CC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163275444 1312279954 /nfs/dbraw/zinc/27/99/54/1312279954.db2.gz ADDLTAZXBBYJOM-UHFFFAOYSA-N 1 0 331.416 2.937 20 5 EFBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163279025 1312281011 /nfs/dbraw/zinc/28/10/11/1312281011.db2.gz KLWHXTYZNOYSOP-GUYCJALGSA-N 1 0 335.404 2.564 20 5 EFBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc2ncccc21 ZINC001163284392 1312282129 /nfs/dbraw/zinc/28/21/29/1312282129.db2.gz LMTKGORHBUOQSA-ACJLOTCBSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2cccnc21 ZINC001163283844 1312282334 /nfs/dbraw/zinc/28/23/34/1312282334.db2.gz JOGLDJGIZKXUKR-SCLBCKFNSA-N 1 0 342.399 2.714 20 5 EFBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc21 ZINC001163317213 1312287929 /nfs/dbraw/zinc/28/79/29/1312287929.db2.gz UCQZHTWGKFSLLS-SUMWQHHRSA-N 1 0 346.362 2.605 20 5 EFBDRO Cc1nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163321742 1312289278 /nfs/dbraw/zinc/28/92/78/1312289278.db2.gz JJBQKPFIFLQXLQ-AWEZNQCLSA-N 1 0 331.420 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163323049 1312289302 /nfs/dbraw/zinc/28/93/02/1312289302.db2.gz MBRFOCDLCXIDBL-SMDDNHRTSA-N 1 0 345.321 2.937 20 5 EFBDRO Cc1nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163321743 1312289349 /nfs/dbraw/zinc/28/93/49/1312289349.db2.gz JJBQKPFIFLQXLQ-CQSZACIVSA-N 1 0 331.420 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163323046 1312289408 /nfs/dbraw/zinc/28/94/08/1312289408.db2.gz MBRFOCDLCXIDBL-BXUZGUMPSA-N 1 0 345.321 2.937 20 5 EFBDRO Cc1nc(Cl)nc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163358550 1312295486 /nfs/dbraw/zinc/29/54/86/1312295486.db2.gz UCANNXICYUNXAY-ONGXEEELSA-N 1 0 327.816 2.877 20 5 EFBDRO CC(C)c1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001163468971 1312319728 /nfs/dbraw/zinc/31/97/28/1312319728.db2.gz BRALQZCAPHZQLS-UHFFFAOYSA-N 1 0 346.387 2.616 20 5 EFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(CC(C)=O)c1F ZINC001230794831 1312345803 /nfs/dbraw/zinc/34/58/03/1312345803.db2.gz WPDHAOAUYZVRJB-GFCCVEGCSA-N 1 0 326.368 2.975 20 5 EFBDRO O=[N+]([O-])c1c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc2ncccc21 ZINC001163650298 1312354352 /nfs/dbraw/zinc/35/43/52/1312354352.db2.gz OIGICZZJHIBVIC-FUHWJXTLSA-N 1 0 342.399 2.856 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c2ccncc21 ZINC001163650751 1312354894 /nfs/dbraw/zinc/35/48/94/1312354894.db2.gz SAJGJMWXZPQLBO-ZWKOTPCHSA-N 1 0 342.399 2.856 20 5 EFBDRO CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049017290 1312366040 /nfs/dbraw/zinc/36/60/40/1312366040.db2.gz JPHXPIBOQILDNF-IYBDPMFKSA-N 1 0 345.443 2.921 20 5 EFBDRO CC[N@@H+]1CCCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001163771255 1312381491 /nfs/dbraw/zinc/38/14/91/1312381491.db2.gz IYJZGOKOWJCYIH-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO CC[N@@H+]1CCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001163771214 1312381548 /nfs/dbraw/zinc/38/15/48/1312381548.db2.gz GZVJHJLMEFIOHX-UHFFFAOYSA-N 1 0 334.754 2.720 20 5 EFBDRO CC[N@@H+]1CCCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001163776177 1312382407 /nfs/dbraw/zinc/38/24/07/1312382407.db2.gz KEPIPFIEXIRICX-UHFFFAOYSA-N 1 0 327.388 2.584 20 5 EFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000903129206 1312385414 /nfs/dbraw/zinc/38/54/14/1312385414.db2.gz SCIJWXQMXGEIAA-OWCLPIDISA-N 1 0 332.400 2.847 20 5 EFBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001230939977 1312397439 /nfs/dbraw/zinc/39/74/39/1312397439.db2.gz VVPXYHWTSGXUIH-MRVPVSSYSA-N 1 0 336.181 2.970 20 5 EFBDRO C/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163991950 1312422093 /nfs/dbraw/zinc/42/20/93/1312422093.db2.gz HYJGMAOGYBZZPT-BNNQUZSASA-N 1 0 331.416 2.937 20 5 EFBDRO C[NH+](C)Cc1cccc(CNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c1 ZINC001163994289 1312422813 /nfs/dbraw/zinc/42/28/13/1312422813.db2.gz ZAZCKPXKWFNYJF-UHFFFAOYSA-N 1 0 336.779 2.555 20 5 EFBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])cc1Br ZINC001231120009 1312436341 /nfs/dbraw/zinc/43/63/41/1312436341.db2.gz FPDSNZMSHJIOHA-MRVPVSSYSA-N 1 0 333.206 2.534 20 5 EFBDRO Cc1nc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001231120738 1312436440 /nfs/dbraw/zinc/43/64/40/1312436440.db2.gz UUWVRHVYMDTUDE-GFCCVEGCSA-N 1 0 342.193 2.534 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])N(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001164062403 1312439726 /nfs/dbraw/zinc/43/97/26/1312439726.db2.gz KUKLENFYXQXCJX-WPRPVWTQSA-N 1 0 334.754 2.752 20 5 EFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164068757 1312440938 /nfs/dbraw/zinc/44/09/38/1312440938.db2.gz HBRLIDTWSCOKSS-ZJUUUORDSA-N 1 0 335.795 2.755 20 5 EFBDRO Cc1cc(N2C[C@@H](C)CC[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164080126 1312443165 /nfs/dbraw/zinc/44/31/65/1312443165.db2.gz ZQEGFXKANWQJEF-BLLLJJGKSA-N 1 0 341.415 2.924 20 5 EFBDRO C[N@H+](CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001231217672 1312456164 /nfs/dbraw/zinc/45/61/64/1312456164.db2.gz OYPXDDXBJOQKOE-UHFFFAOYSA-N 1 0 345.374 2.986 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCCOCC1)CCCC2 ZINC000903227769 1312480764 /nfs/dbraw/zinc/48/07/64/1312480764.db2.gz NWYLEGJRDKNFCC-GOSISDBHSA-N 1 0 333.432 2.674 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164456587 1312517036 /nfs/dbraw/zinc/51/70/36/1312517036.db2.gz OFFBEZOFNUONBF-DTWKUNHWSA-N 1 0 334.754 2.752 20 5 EFBDRO Cc1cc(N2C[C@H](C[NH3+])CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164474746 1312521044 /nfs/dbraw/zinc/52/10/44/1312521044.db2.gz UTVBCYLUPZOTOO-KBPBESRZSA-N 1 0 341.415 2.924 20 5 EFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164474685 1312521143 /nfs/dbraw/zinc/52/11/43/1312521143.db2.gz TVSDMVSLJOIADI-STQMWFEESA-N 1 0 327.388 2.615 20 5 EFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164473904 1312521490 /nfs/dbraw/zinc/52/14/90/1312521490.db2.gz KULJPUIFAXTRHC-VHSXEESVSA-N 1 0 335.795 2.755 20 5 EFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164474254 1312521515 /nfs/dbraw/zinc/52/15/15/1312521515.db2.gz OIUGNIJXUUUCKH-CHWSQXEVSA-N 1 0 327.388 2.615 20 5 EFBDRO O=[N+]([O-])c1nccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164486167 1312523842 /nfs/dbraw/zinc/52/38/42/1312523842.db2.gz LJOYNCSSUGDHJH-ARFHVFGLSA-N 1 0 339.399 2.707 20 5 EFBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001164604169 1312547942 /nfs/dbraw/zinc/54/79/42/1312547942.db2.gz BBFDNDAIFJLUSB-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC001164608013 1312548936 /nfs/dbraw/zinc/54/89/36/1312548936.db2.gz LSUVUELHWOHWSD-AWEZNQCLSA-N 1 0 346.818 2.973 20 5 EFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc2c1 ZINC001164608323 1312549063 /nfs/dbraw/zinc/54/90/63/1312549063.db2.gz QIOOLJSYDDUMLS-HNNXBMFYSA-N 1 0 349.394 2.559 20 5 EFBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001164608501 1312549595 /nfs/dbraw/zinc/54/95/95/1312549595.db2.gz LGLWIMMQRQOVDN-UHFFFAOYSA-N 1 0 331.416 2.771 20 5 EFBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000903300297 1312551286 /nfs/dbraw/zinc/55/12/86/1312551286.db2.gz XXFPNSLBBIKTMX-NOVWEMISSA-N 1 0 334.416 2.700 20 5 EFBDRO C[NH+](C)C[C@@H]1CCCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001165072164 1312562992 /nfs/dbraw/zinc/56/29/92/1312562992.db2.gz MWXKTDRVHWZCCP-JTQLQIEISA-N 1 0 334.754 2.719 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001165074611 1312563159 /nfs/dbraw/zinc/56/31/59/1312563159.db2.gz NRTIEOMEYLLHQJ-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC001165084639 1312565588 /nfs/dbraw/zinc/56/55/88/1312565588.db2.gz KSVWJYOFJPSOEW-YOEHRIQHSA-N 1 0 342.374 2.840 20 5 EFBDRO O=[N+]([O-])c1cc(F)cnc1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165089965 1312566105 /nfs/dbraw/zinc/56/61/05/1312566105.db2.gz WLFPZEPVKUJSKY-YOEHRIQHSA-N 1 0 342.374 2.840 20 5 EFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001165111328 1312570331 /nfs/dbraw/zinc/57/03/31/1312570331.db2.gz WGLDMURBJISYJQ-INIZCTEOSA-N 1 0 348.447 2.686 20 5 EFBDRO C[NH+](C)C1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001165122423 1312572231 /nfs/dbraw/zinc/57/22/31/1312572231.db2.gz ZXUNHVZMLJDRNU-UHFFFAOYSA-N 1 0 330.363 2.936 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001165140899 1312576788 /nfs/dbraw/zinc/57/67/88/1312576788.db2.gz FHTOPCLIFGHYRZ-UHFFFAOYSA-N 1 0 327.388 2.584 20 5 EFBDRO C[NH+]1C[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@@H]2C1 ZINC001165147499 1312577957 /nfs/dbraw/zinc/57/79/57/1312577957.db2.gz FPDPLTBJMCEGQE-QWRGUYRKSA-N 1 0 332.791 2.794 20 5 EFBDRO CC(C)[N@@H+]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C[C@H]1C ZINC001165199579 1312583931 /nfs/dbraw/zinc/58/39/31/1312583931.db2.gz BWLNKWLMFUHIHM-CQSZACIVSA-N 1 0 341.415 2.971 20 5 EFBDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903344424 1312584559 /nfs/dbraw/zinc/58/45/59/1312584559.db2.gz VWCWVDCHYGAKDC-DOTOQJQBSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001165244766 1312594311 /nfs/dbraw/zinc/59/43/11/1312594311.db2.gz VEUZBMSQKXTHIC-SFHVURJKSA-N 1 0 339.399 2.632 20 5 EFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC4(CCCC[NH2+]4)CC3)c2c1 ZINC001165246781 1312594635 /nfs/dbraw/zinc/59/46/35/1312594635.db2.gz ODSYNKOHQIPDFS-UHFFFAOYSA-N 1 0 327.388 2.651 20 5 EFBDRO O=[N+]([O-])c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001165325357 1312609369 /nfs/dbraw/zinc/60/93/69/1312609369.db2.gz YRQFFFGFPOHAJH-AWEZNQCLSA-N 1 0 329.404 2.830 20 5 EFBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC001165347381 1312612979 /nfs/dbraw/zinc/61/29/79/1312612979.db2.gz PGZMZPSSCNCGHZ-UHFFFAOYSA-N 1 0 349.337 2.783 20 5 EFBDRO Cc1nc2c(n1-c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC[NH2+]CC2 ZINC001165356019 1312615571 /nfs/dbraw/zinc/61/55/71/1312615571.db2.gz MDXGZCMXNDNHGB-UHFFFAOYSA-N 1 0 349.394 2.839 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165410658 1312623942 /nfs/dbraw/zinc/62/39/42/1312623942.db2.gz KUYAYUYMYVAHCH-UHFFFAOYSA-N 1 0 331.203 2.732 20 5 EFBDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1=O ZINC000903389078 1312624477 /nfs/dbraw/zinc/62/44/77/1312624477.db2.gz RMYGSRYDHGFTQF-SMDDNHRTSA-N 1 0 337.445 2.978 20 5 EFBDRO Cc1cnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165417677 1312625367 /nfs/dbraw/zinc/62/53/67/1312625367.db2.gz SQNQSYFQCCESEI-APWZRJJASA-N 1 0 338.411 2.882 20 5 EFBDRO CNc1cc([N+](=O)[O-])cnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165426789 1312628324 /nfs/dbraw/zinc/62/83/24/1312628324.db2.gz BAVYKIMBMMANFO-UHFFFAOYSA-N 1 0 327.388 2.575 20 5 EFBDRO Cc1cccc(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001165591489 1312650326 /nfs/dbraw/zinc/65/03/26/1312650326.db2.gz UOEYRVUCEORZRN-UHFFFAOYSA-N 1 0 341.411 2.742 20 5 EFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cncn1C ZINC001211251222 1314464155 /nfs/dbraw/zinc/46/41/55/1314464155.db2.gz BKPYPJZNTFYMOJ-UHFFFAOYSA-N 1 0 333.395 2.978 20 5 EFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ncccc1N1CC[NH+](C)CC1 ZINC001211288347 1314469693 /nfs/dbraw/zinc/46/96/93/1314469693.db2.gz QRQBLJWBKSYPCO-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019989555 1314559752 /nfs/dbraw/zinc/55/97/52/1314559752.db2.gz GUXZGTVDJLUQOD-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001246085055 1314580922 /nfs/dbraw/zinc/58/09/22/1314580922.db2.gz VPFZCBXHOIEZNV-DZGCQCFKSA-N 1 0 343.349 2.726 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC001246085056 1314581472 /nfs/dbraw/zinc/58/14/72/1314581472.db2.gz VPFZCBXHOIEZNV-HIFRSBDPSA-N 1 0 343.349 2.726 20 5 EFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC001213659808 1314587233 /nfs/dbraw/zinc/58/72/33/1314587233.db2.gz APSVFMOOGGHQCQ-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)oc1C ZINC001020073672 1314599249 /nfs/dbraw/zinc/59/92/49/1314599249.db2.gz GQEHKZKIDACFSD-JOCQHMNTSA-N 1 0 349.412 2.917 20 5 EFBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001020104240 1314611550 /nfs/dbraw/zinc/61/15/50/1314611550.db2.gz LNOZSOPVBLVFCH-SHTZXODSSA-N 1 0 329.356 2.547 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2C[NH2+]CCC2(C)C)c1F ZINC001246331323 1314611710 /nfs/dbraw/zinc/61/17/10/1314611710.db2.gz OJOZYAJJCWULPL-NHYWBVRUSA-N 1 0 339.411 2.651 20 5 EFBDRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020124295 1314621936 /nfs/dbraw/zinc/62/19/36/1314621936.db2.gz GRGINLKQTOJPGX-HAQNSBGRSA-N 1 0 348.428 2.597 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@H](C[NH3+])C2)c1F ZINC001246584224 1314652292 /nfs/dbraw/zinc/65/22/92/1314652292.db2.gz TXJHHEJEUBMPLA-CHWSQXEVSA-N 1 0 339.411 2.734 20 5 EFBDRO [NH3+][C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001246590532 1314653148 /nfs/dbraw/zinc/65/31/48/1314653148.db2.gz USNOJPOWMLHWFE-KBPBESRZSA-N 1 0 325.359 2.511 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001246590450 1314653459 /nfs/dbraw/zinc/65/34/59/1314653459.db2.gz JIINIXPXDGYOMB-RWMBFGLXSA-N 1 0 339.411 2.733 20 5 EFBDRO Cc1ccc(Nc2cncc(N3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001214169292 1314653799 /nfs/dbraw/zinc/65/37/99/1314653799.db2.gz FRXFFKRMIXTIND-UHFFFAOYSA-N 1 0 327.388 2.794 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246611438 1314656946 /nfs/dbraw/zinc/65/69/46/1314656946.db2.gz SZVJUVHRRNPUHF-KDOFPFPSSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC001246618318 1314658360 /nfs/dbraw/zinc/65/83/60/1314658360.db2.gz JWWAPAJOGRTUQJ-KBXCAEBGSA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246626731 1314660167 /nfs/dbraw/zinc/66/01/67/1314660167.db2.gz HXZFFLCKYXFVCS-RDTXWAMCSA-N 1 0 333.432 2.610 20 5 EFBDRO COc1ccc(C[C@H](C)N2CCCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246643412 1314662274 /nfs/dbraw/zinc/66/22/74/1314662274.db2.gz MQDQCQPXBJATGM-KSSFIOAISA-N 1 0 333.432 2.752 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCCC23C[NH2+]C3)c1F ZINC001246642737 1314662295 /nfs/dbraw/zinc/66/22/95/1314662295.db2.gz OGTXCHRRBJTKOP-GFCCVEGCSA-N 1 0 337.395 2.501 20 5 EFBDRO COCCCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC001246809721 1314686748 /nfs/dbraw/zinc/68/67/48/1314686748.db2.gz RTGLWHXLNAIZGD-CRAIPNDOSA-N 1 0 335.448 2.616 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@H]1c1cccs1)C2 ZINC001246885943 1314702999 /nfs/dbraw/zinc/70/29/99/1314702999.db2.gz OPMACSVDQXHTDY-HZPDHXFCSA-N 1 0 329.425 2.770 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1c1cccs1)C2 ZINC001246885944 1314703189 /nfs/dbraw/zinc/70/31/89/1314703189.db2.gz OPMACSVDQXHTDY-JKSUJKDBSA-N 1 0 329.425 2.770 20 5 EFBDRO COc1ccc(C[C@@H](C)N2CCC[C@H]([NH2+]C3CC3)C2)c([N+](=O)[O-])c1 ZINC001246915387 1314707878 /nfs/dbraw/zinc/70/78/78/1314707878.db2.gz FGXNSUQVOZPPIE-CJNGLKHVSA-N 1 0 333.432 2.751 20 5 EFBDRO CCC[C@@H]1C[NH2+]CCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246911287 1314708112 /nfs/dbraw/zinc/70/81/12/1314708112.db2.gz AXWSKNLCSNFCJV-QWHCGFSZSA-N 1 0 339.411 2.747 20 5 EFBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952802 1314714258 /nfs/dbraw/zinc/71/42/58/1314714258.db2.gz WIJGHCHUAFVWNA-SZMVWBNQSA-N 1 0 335.423 2.825 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC001020301353 1314719509 /nfs/dbraw/zinc/71/95/09/1314719509.db2.gz YYZCZXYCZCOTJY-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC001020301143 1314719715 /nfs/dbraw/zinc/71/97/15/1314719715.db2.gz QFOIVUZPVINCAX-SHTZXODSSA-N 1 0 342.399 2.590 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCN[C@@H](C(F)(F)F)C1)CC2 ZINC001246982764 1314723481 /nfs/dbraw/zinc/72/34/81/1314723481.db2.gz DDGOWTBIEPEBTE-DZGCQCFKSA-N 1 0 343.349 2.678 20 5 EFBDRO O[C@@H]1CCN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247514142 1314795749 /nfs/dbraw/zinc/79/57/49/1314795749.db2.gz XCHSERUSYPUQLK-HIFRSBDPSA-N 1 0 347.378 2.618 20 5 EFBDRO O[C@H]1CCN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001247514147 1314795994 /nfs/dbraw/zinc/79/59/94/1314795994.db2.gz XCHSERUSYPUQLK-ZFWWWQNUSA-N 1 0 347.378 2.618 20 5 EFBDRO C[NH+]1CCN(c2cncc(Nc3c(F)ccc([N+](=O)[O-])c3F)c2)CC1 ZINC001215292456 1314810242 /nfs/dbraw/zinc/81/02/42/1314810242.db2.gz XQWSZASMEFFVTP-UHFFFAOYSA-N 1 0 349.341 2.763 20 5 EFBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccc(F)cc1 ZINC001247842059 1314850791 /nfs/dbraw/zinc/85/07/91/1314850791.db2.gz AQWKAZXUAUJQHT-LLVKDONJSA-N 1 0 347.281 2.561 20 5 EFBDRO [NH3+][C@@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccc(F)cc1 ZINC001247842060 1314851080 /nfs/dbraw/zinc/85/10/80/1314851080.db2.gz AQWKAZXUAUJQHT-NSHDSACASA-N 1 0 347.281 2.561 20 5 EFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4[C@@H]5C[NH2+]C[C@@H]54)n3)nc12 ZINC001247884699 1314860887 /nfs/dbraw/zinc/86/08/87/1314860887.db2.gz XEPUNIMDWUHMBN-AGGWBTHJSA-N 1 0 329.363 2.766 20 5 EFBDRO C[NH+]1CCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cn2)CC1 ZINC001216480711 1314960472 /nfs/dbraw/zinc/96/04/72/1314960472.db2.gz KKDYAHUEWNACPE-UHFFFAOYSA-N 1 0 331.351 2.624 20 5 EFBDRO Cc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc([N+](=O)[O-])c1 ZINC001216582417 1314975432 /nfs/dbraw/zinc/97/54/32/1314975432.db2.gz FFFNNNFTRQMYCU-UHFFFAOYSA-N 1 0 337.339 2.661 20 5 EFBDRO C[NH+](C)Cc1ccccc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001216876217 1315019005 /nfs/dbraw/zinc/01/90/05/1315019005.db2.gz YUYLYRWAFJGYKH-UHFFFAOYSA-N 1 0 343.318 2.908 20 5 EFBDRO C[C@H]([NH3+])c1cccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001217098661 1315034694 /nfs/dbraw/zinc/03/46/94/1315034694.db2.gz PTSFIQWOIWWNIH-QMMMGPOBSA-N 1 0 329.291 2.866 20 5 EFBDRO Cc1cncc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249279305 1315044188 /nfs/dbraw/zinc/04/41/88/1315044188.db2.gz XYRLVNUROXQRFS-CQSZACIVSA-N 1 0 325.328 2.591 20 5 EFBDRO Cc1nc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC001249277966 1315044276 /nfs/dbraw/zinc/04/42/76/1315044276.db2.gz BKSOFXBWLIAMJX-CYBMUJFWSA-N 1 0 343.318 2.730 20 5 EFBDRO Cc1ccccc1[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249337428 1315056413 /nfs/dbraw/zinc/05/64/13/1315056413.db2.gz JGAVBXIOTOFRIN-GFCCVEGCSA-N 1 0 343.318 2.730 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001318369755 1328565574 /nfs/dbraw/zinc/56/55/74/1328565574.db2.gz HFCCYKLSIIFBDJ-RDJZCZTQSA-N 1 0 344.415 2.539 20 5 EFBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001249558474 1315097456 /nfs/dbraw/zinc/09/74/56/1315097456.db2.gz LPXMCKJRMJDKDV-UHFFFAOYSA-N 1 0 345.378 2.933 20 5 EFBDRO COc1cccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001217732482 1315107892 /nfs/dbraw/zinc/10/78/92/1315107892.db2.gz BFAKRHICUBDLKJ-OAHLLOKOSA-N 1 0 340.339 2.896 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217948753 1315123349 /nfs/dbraw/zinc/12/33/49/1315123349.db2.gz VFMYMOGZXRUVOW-MNOVXSKESA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217948758 1315123484 /nfs/dbraw/zinc/12/34/84/1315123484.db2.gz VHAHLTCNESYDIV-CMPLNLGQSA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1c2c(cc(Br)c1OC1CC[NH2+]CC1)CCC2 ZINC001217963684 1315126141 /nfs/dbraw/zinc/12/61/41/1315126141.db2.gz LPAMXOYTJFIIHB-UHFFFAOYSA-N 1 0 341.205 2.977 20 5 EFBDRO Cc1nc(O[C@H]2CCCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001217970324 1315127162 /nfs/dbraw/zinc/12/71/62/1315127162.db2.gz KSSZRNUFIAXHGW-VIFPVBQESA-N 1 0 330.182 2.582 20 5 EFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1Br ZINC001217972325 1315127264 /nfs/dbraw/zinc/12/72/64/1315127264.db2.gz OJDRUYSJFUAYSI-KWQFWETISA-N 1 0 333.157 2.826 20 5 EFBDRO O=[N+]([O-])c1cccc(Br)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217971026 1315127347 /nfs/dbraw/zinc/12/73/47/1315127347.db2.gz DKNUJPCUHSGWEV-KOLCDFICSA-N 1 0 333.157 2.826 20 5 EFBDRO Cc1nc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001217974897 1315127944 /nfs/dbraw/zinc/12/79/44/1315127944.db2.gz QKOXREKPJFXLMJ-VIFPVBQESA-N 1 0 330.182 2.582 20 5 EFBDRO Cc1c(Br)c(O[C@@H]2CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001217973930 1315127953 /nfs/dbraw/zinc/12/79/53/1315127953.db2.gz LAABQVHNTSXLEY-SECBINFHSA-N 1 0 330.182 2.582 20 5 EFBDRO Cc1c(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)ncc1[N+](=O)[O-] ZINC001217979526 1315128444 /nfs/dbraw/zinc/12/84/44/1315128444.db2.gz IBIMZNYTLSCKST-WPRPVWTQSA-N 1 0 348.172 2.530 20 5 EFBDRO O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1OC1C[NH2+]C1 ZINC001218052569 1315139484 /nfs/dbraw/zinc/13/94/84/1315139484.db2.gz KFMOPNMVKRGCKO-UHFFFAOYSA-N 1 0 341.083 2.727 20 5 EFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217986612 1315129919 /nfs/dbraw/zinc/12/99/19/1315129919.db2.gz UDHTVKUXIUBOIO-LDYMZIIASA-N 1 0 349.156 2.532 20 5 EFBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3C[NH2+]C[C@@H]3F)cc(C(F)(F)F)c2c1 ZINC001218017039 1315134832 /nfs/dbraw/zinc/13/48/32/1315134832.db2.gz MJLMPEGPVIFMDX-JQWIXIFHSA-N 1 0 345.252 2.851 20 5 EFBDRO Cc1nc(O[C@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218031623 1315136312 /nfs/dbraw/zinc/13/63/12/1315136312.db2.gz QWLIMASJQRLNOD-PELKAZGASA-N 1 0 344.209 2.828 20 5 EFBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000749147305 1315137273 /nfs/dbraw/zinc/13/72/73/1315137273.db2.gz HLWMVMRQLWWRBX-SNVBAGLBSA-N 1 0 343.225 2.530 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001318385535 1328569577 /nfs/dbraw/zinc/56/95/77/1328569577.db2.gz KGMZRBJOMNBHEP-GJZGRUSLSA-N 1 0 337.445 2.676 20 5 EFBDRO O=c1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218308381 1315177537 /nfs/dbraw/zinc/17/75/37/1315177537.db2.gz YMALFWQPAVSDAR-GFCCVEGCSA-N 1 0 329.356 2.902 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001218321678 1315178234 /nfs/dbraw/zinc/17/82/34/1315178234.db2.gz WTHGAEIIESIXSQ-XCBNKYQSSA-N 1 0 337.120 2.575 20 5 EFBDRO Cc1c(Br)cnc(O[C@@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC001218398104 1315189264 /nfs/dbraw/zinc/18/92/64/1315189264.db2.gz IBJMLVPKTBYTTF-IONNQARKSA-N 1 0 330.182 2.580 20 5 EFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218399656 1315189873 /nfs/dbraw/zinc/18/98/73/1315189873.db2.gz BSHGFZOZNYBLDC-PSASIEDQSA-N 1 0 328.752 2.554 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1Br ZINC001218398884 1315189945 /nfs/dbraw/zinc/18/99/45/1315189945.db2.gz JZFJRZMXKAJRAC-GFCCVEGCSA-N 1 0 327.178 2.878 20 5 EFBDRO C[C@H]1CC[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)C[NH2+]1 ZINC001218406860 1315191184 /nfs/dbraw/zinc/19/11/84/1315191184.db2.gz JYNNIAIMPHRLMY-QWHCGFSZSA-N 1 0 333.391 2.958 20 5 EFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001218424207 1315194368 /nfs/dbraw/zinc/19/43/68/1315194368.db2.gz MYDYZFBNCLQBDA-FZMZJTMJSA-N 1 0 336.388 2.927 20 5 EFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443684 1315196340 /nfs/dbraw/zinc/19/63/40/1315196340.db2.gz AXHNURYBICIUJB-JQEORGNBSA-N 1 0 327.178 2.795 20 5 EFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC001218447635 1315197222 /nfs/dbraw/zinc/19/72/22/1315197222.db2.gz IKEHGBVYZVOHJM-SNVBAGLBSA-N 1 0 326.221 2.990 20 5 EFBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218449915 1315198296 /nfs/dbraw/zinc/19/82/96/1315198296.db2.gz XGMJQUOWUVTWOW-SNVBAGLBSA-N 1 0 337.120 2.733 20 5 EFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)ccc1Br ZINC001218458019 1315199738 /nfs/dbraw/zinc/19/97/38/1315199738.db2.gz BYZZYKHLNPRRKC-ZDSQKVDBSA-N 1 0 327.178 2.734 20 5 EFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001218463433 1315200409 /nfs/dbraw/zinc/20/04/09/1315200409.db2.gz HPMQYBCSTYODHA-KCQAQPDRSA-N 1 0 348.399 2.927 20 5 EFBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218463329 1315200456 /nfs/dbraw/zinc/20/04/56/1315200456.db2.gz BJKPBHCQANHASV-UBHAPETDSA-N 1 0 332.278 2.870 20 5 EFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218469410 1315201159 /nfs/dbraw/zinc/20/11/59/1315201159.db2.gz VRSUUYKWXXREEC-BCMRRPTOSA-N 1 0 345.168 2.873 20 5 EFBDRO Cc1cc(Br)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1[N+](=O)[O-] ZINC001218492673 1315204381 /nfs/dbraw/zinc/20/43/81/1315204381.db2.gz WCQHYAGZMCKLKS-IYYTYJHQSA-N 1 0 327.178 2.795 20 5 EFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489718 1315204795 /nfs/dbraw/zinc/20/47/95/1315204795.db2.gz QJCBMEMIJLIQOY-INIZCTEOSA-N 1 0 328.324 2.605 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001318404814 1328576813 /nfs/dbraw/zinc/57/68/13/1328576813.db2.gz WLYZLUWPBOJETC-OLZOCXBDSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4cccc([N+](=O)[O-])c4)nc32)CC1 ZINC001250950373 1315299646 /nfs/dbraw/zinc/29/96/46/1315299646.db2.gz CLKVIBOUWVETOA-UHFFFAOYSA-N 1 0 337.383 2.890 20 5 EFBDRO Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC001250953199 1315299982 /nfs/dbraw/zinc/29/99/82/1315299982.db2.gz RULDBTVHMHLHIV-UHFFFAOYSA-N 1 0 339.355 2.557 20 5 EFBDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001219666373 1315334221 /nfs/dbraw/zinc/33/42/21/1315334221.db2.gz IDTJLVHCUJVUCB-ZIAGYGMSSA-N 1 0 334.423 2.758 20 5 EFBDRO O=C(CCc1c2ccccc2cc2ccccc21)NCCC1(O)C[NH2+]C1 ZINC001219696346 1315337978 /nfs/dbraw/zinc/33/79/78/1315337978.db2.gz IMXFZWXZVXMAAO-UHFFFAOYSA-N 1 0 348.446 2.766 20 5 EFBDRO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1c2ccccc2cc2ccccc21 ZINC001219858769 1315351486 /nfs/dbraw/zinc/35/14/86/1315351486.db2.gz NNSTXMKHHJWKDI-CEXWTWQISA-N 1 0 332.403 2.710 20 5 EFBDRO C[C@@]1(O)C[C@H](NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001220150079 1315375804 /nfs/dbraw/zinc/37/58/04/1315375804.db2.gz PMXYBUDGJOUVAM-XUEUYAKLSA-N 1 0 348.446 2.892 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001251963894 1315395905 /nfs/dbraw/zinc/39/59/05/1315395905.db2.gz QIEMHULTXGTBGW-KGLIPLIRSA-N 1 0 325.796 2.851 20 5 EFBDRO CC(C)(C)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001253304154 1315592742 /nfs/dbraw/zinc/59/27/42/1315592742.db2.gz QMAPWOZPRNVSAW-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO COc1cc(CN2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC001253996565 1315663169 /nfs/dbraw/zinc/66/31/69/1315663169.db2.gz DXRHVWNFCJQTJR-UHFFFAOYSA-N 1 0 337.420 2.528 20 5 EFBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC001254104029 1315673230 /nfs/dbraw/zinc/67/32/30/1315673230.db2.gz CEKLKNMMFTXVAB-LLVKDONJSA-N 1 0 330.388 2.818 20 5 EFBDRO Cc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC001254464809 1315706622 /nfs/dbraw/zinc/70/66/22/1315706622.db2.gz MTECIVMPQOOHMU-UHFFFAOYSA-N 1 0 330.388 2.958 20 5 EFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254469419 1315706922 /nfs/dbraw/zinc/70/69/22/1315706922.db2.gz NKSUSSIBENGYRL-UHFFFAOYSA-N 1 0 342.399 2.757 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@]34CCCOC4)CC2)cc1 ZINC001254472601 1315707581 /nfs/dbraw/zinc/70/75/81/1315707581.db2.gz FZNUHEWNVHEBPD-ZWKOTPCHSA-N 1 0 331.416 2.722 20 5 EFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1O ZINC001254474715 1315707719 /nfs/dbraw/zinc/70/77/19/1315707719.db2.gz UGGOVIOAYOFHIN-KBXCAEBGSA-N 1 0 333.432 2.656 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001254479881 1315707907 /nfs/dbraw/zinc/70/79/07/1315707907.db2.gz OXKLAKRAABYJFG-GOSISDBHSA-N 1 0 331.416 2.819 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001254478991 1315707957 /nfs/dbraw/zinc/70/79/57/1315707957.db2.gz NLORHTGCQUZSRH-LJQANCHMSA-N 1 0 344.459 2.734 20 5 EFBDRO CN(C1CC1)[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480689 1315708018 /nfs/dbraw/zinc/70/80/18/1315708018.db2.gz LKHPVPFMAOBVBC-IBGZPJMESA-N 1 0 344.459 2.732 20 5 EFBDRO CC(C)[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479627 1315708380 /nfs/dbraw/zinc/70/83/80/1315708380.db2.gz FQFRTVHXCBIWQK-SFHVURJKSA-N 1 0 333.432 2.920 20 5 EFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC4(CCO4)CC3)CC2)cc1 ZINC001254479855 1315708468 /nfs/dbraw/zinc/70/84/68/1315708468.db2.gz NSMLCARXAOUIKP-UHFFFAOYSA-N 1 0 331.416 2.819 20 5 EFBDRO CCN1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)C1 ZINC001254481323 1315708736 /nfs/dbraw/zinc/70/87/36/1315708736.db2.gz AZQAMPXZQVNACQ-UHFFFAOYSA-N 1 0 346.475 2.980 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001254532183 1315720161 /nfs/dbraw/zinc/72/01/61/1315720161.db2.gz KAKMPCFNQJDHFT-IUODEOHRSA-N 1 0 327.384 2.774 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COCc1ccccc1 ZINC001254537300 1315721445 /nfs/dbraw/zinc/72/14/45/1315721445.db2.gz ZIPQLBULXDLPDG-YJBOKZPZSA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COCc1ccccc1 ZINC001254537299 1315721454 /nfs/dbraw/zinc/72/14/54/1315721454.db2.gz ZIPQLBULXDLPDG-QAPCUYQASA-N 1 0 344.411 2.693 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001254540968 1315721721 /nfs/dbraw/zinc/72/17/21/1315721721.db2.gz XOHWIGGAPKDQEX-TZGCNFNXSA-N 1 0 345.443 2.954 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001254545110 1315721795 /nfs/dbraw/zinc/72/17/95/1315721795.db2.gz AQWADLWALRRKSQ-CQSZACIVSA-N 1 0 345.443 2.907 20 5 EFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544574 1315721875 /nfs/dbraw/zinc/72/18/75/1315721875.db2.gz WYDPQDHGEAJAOV-LBPRGKRZSA-N 1 0 341.367 2.928 20 5 EFBDRO COc1cccc([C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254540987 1315721953 /nfs/dbraw/zinc/72/19/53/1315721953.db2.gz XTDURRUERSJVOW-GUYCJALGSA-N 1 0 330.384 2.858 20 5 EFBDRO Cc1nnc2ccc(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])cn12 ZINC001254549372 1315722074 /nfs/dbraw/zinc/72/20/74/1315722074.db2.gz SREPQDBIPLODFA-LBPRGKRZSA-N 1 0 325.372 2.667 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC001254548489 1315722102 /nfs/dbraw/zinc/72/21/02/1315722102.db2.gz MQTMKZUVXHTKHB-YJBOKZPZSA-N 1 0 340.427 2.785 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccncn2)CC1 ZINC001254546951 1315722248 /nfs/dbraw/zinc/72/22/48/1315722248.db2.gz ATBQZTXAHPRRSV-AWEZNQCLSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C(=O)Nc2ccccc21 ZINC001254549334 1315722296 /nfs/dbraw/zinc/72/22/96/1315722296.db2.gz RWZCGISKKPQPON-IUODEOHRSA-N 1 0 325.368 2.851 20 5 EFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001254549709 1315722616 /nfs/dbraw/zinc/72/26/16/1315722616.db2.gz XRAJSRNJDWAIGM-CZUORRHYSA-N 1 0 343.383 2.815 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001254551820 1315722689 /nfs/dbraw/zinc/72/26/89/1315722689.db2.gz GCOYTFGFJTVHNR-NSHDSACASA-N 1 0 332.322 2.915 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OCC2CC2)ncn1 ZINC001254550067 1315722843 /nfs/dbraw/zinc/72/28/43/1315722843.db2.gz ZUSVMQYKNMFKRA-ZDUSSCGKSA-N 1 0 342.399 2.894 20 5 EFBDRO COC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254559989 1315723206 /nfs/dbraw/zinc/72/32/06/1315723206.db2.gz DKSNRCVLQOTUIH-CZUORRHYSA-N 1 0 344.415 2.505 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001254560578 1315723341 /nfs/dbraw/zinc/72/33/41/1315723341.db2.gz VUXLCWOKPVBGTI-OAHLLOKOSA-N 1 0 341.415 2.528 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001254558471 1315723516 /nfs/dbraw/zinc/72/35/16/1315723516.db2.gz AZNJBXXDKJWMNE-DOTOQJQBSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ncccn1)C1CC[NH2+]CC1 ZINC001254559829 1315723543 /nfs/dbraw/zinc/72/35/43/1315723543.db2.gz NJZVUNZKBRDRRT-CQSZACIVSA-N 1 0 341.415 2.574 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCNC2=O)CC1 ZINC001254560241 1315723668 /nfs/dbraw/zinc/72/36/68/1315723668.db2.gz QLKZKJLHNYNOFM-CQSZACIVSA-N 1 0 331.416 2.518 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001254562764 1315723884 /nfs/dbraw/zinc/72/38/84/1315723884.db2.gz UEBOZXMKDNHMEB-RDTXWAMCSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC001254563697 1315723926 /nfs/dbraw/zinc/72/39/26/1315723926.db2.gz BJSHNYXPCLXVJR-CQSZACIVSA-N 1 0 331.416 2.613 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001254562880 1315724098 /nfs/dbraw/zinc/72/40/98/1315724098.db2.gz QLVAZPWQNVMNKL-CQSZACIVSA-N 1 0 345.443 2.907 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC001254563696 1315724143 /nfs/dbraw/zinc/72/41/43/1315724143.db2.gz BJSHNYXPCLXVJR-AWEZNQCLSA-N 1 0 331.416 2.613 20 5 EFBDRO CC(C)C(=O)NC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563107 1315724171 /nfs/dbraw/zinc/72/41/71/1315724171.db2.gz UANMSSCCHCKZTI-AWEZNQCLSA-N 1 0 333.432 2.762 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001254561036 1315724248 /nfs/dbraw/zinc/72/42/48/1315724248.db2.gz DNBNJQQZKSCKRD-HNNXBMFYSA-N 1 0 345.443 2.860 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001254567603 1315724588 /nfs/dbraw/zinc/72/45/88/1315724588.db2.gz XPALFZYENIQMHB-FPMFFAJLSA-N 1 0 326.343 2.739 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001254567465 1315724723 /nfs/dbraw/zinc/72/47/23/1315724723.db2.gz ONADHDZSQBJDJM-RTBURBONSA-N 1 0 337.423 2.926 20 5 EFBDRO CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254567646 1315724957 /nfs/dbraw/zinc/72/49/57/1315724957.db2.gz XWPITJURMUHKGN-RHSMWYFYSA-N 1 0 333.432 2.857 20 5 EFBDRO CC[NH+](CC)C[C@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254570689 1315725525 /nfs/dbraw/zinc/72/55/25/1315725525.db2.gz POFKHNFQSOXIPK-WBVHZDCISA-N 1 0 335.448 2.568 20 5 EFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001254569093 1315725564 /nfs/dbraw/zinc/72/55/64/1315725564.db2.gz HTGKSGBHCDTQCK-GOEBONIOSA-N 1 0 342.399 2.859 20 5 EFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001254569984 1315725611 /nfs/dbraw/zinc/72/56/11/1315725611.db2.gz LMQMUQKNFLKNLQ-IUODEOHRSA-N 1 0 346.362 2.608 20 5 EFBDRO COC(=O)Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254573920 1315726224 /nfs/dbraw/zinc/72/62/24/1315726224.db2.gz DSZVIWRLQOYSAO-QGZVFWFLSA-N 1 0 340.379 2.567 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580218 1315726412 /nfs/dbraw/zinc/72/64/12/1315726412.db2.gz BITUFJWZYFMCNI-CQSZACIVSA-N 1 0 347.415 2.709 20 5 EFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254578751 1315726548 /nfs/dbraw/zinc/72/65/48/1315726548.db2.gz MQEZLBBBLLNAIZ-QGZVFWFLSA-N 1 0 325.368 2.810 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C2 ZINC001254577225 1315726705 /nfs/dbraw/zinc/72/67/05/1315726705.db2.gz DLFVUWCACVHVIY-CQSZACIVSA-N 1 0 343.349 2.678 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C2 ZINC001254581107 1315726901 /nfs/dbraw/zinc/72/69/01/1315726901.db2.gz KLIMYOSFVWRNFQ-ICSRJNTNSA-N 1 0 337.423 2.926 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC001254580023 1315726956 /nfs/dbraw/zinc/72/69/56/1315726956.db2.gz YUNPXKAZGYICTC-QGZVFWFLSA-N 1 0 338.411 2.716 20 5 EFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581103 1315727028 /nfs/dbraw/zinc/72/70/28/1315727028.db2.gz KLBPYDDYPDJUPO-INIZCTEOSA-N 1 0 335.367 2.652 20 5 EFBDRO COc1ccccc1C(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579964 1315727175 /nfs/dbraw/zinc/72/71/75/1315727175.db2.gz XUKRMJRZNYSMRT-AWEZNQCLSA-N 1 0 326.352 2.543 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(CC3CCCC3)C1)C2 ZINC001254583721 1315727315 /nfs/dbraw/zinc/72/73/15/1315727315.db2.gz CWGGGKVSOMIAOY-ZWKOTPCHSA-N 1 0 329.444 2.916 20 5 EFBDRO CN(C)[C@@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584452 1315727471 /nfs/dbraw/zinc/72/74/71/1315727471.db2.gz SGLBBEQMLNFOOV-HKUYNNGSSA-N 1 0 325.412 2.955 20 5 EFBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582751 1315727513 /nfs/dbraw/zinc/72/75/13/1315727513.db2.gz WVSSSDQGLNLZTF-WFASDCNBSA-N 1 0 349.431 2.812 20 5 EFBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584647 1315727616 /nfs/dbraw/zinc/72/76/16/1315727616.db2.gz IJTPXQURQNBXPM-RDTXWAMCSA-N 1 0 330.359 2.833 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnn1CC(F)(F)F)C2 ZINC001254586965 1315727763 /nfs/dbraw/zinc/72/77/63/1315727763.db2.gz NPNLKKXISVDYOP-LBPRGKRZSA-N 1 0 340.305 2.611 20 5 EFBDRO COc1cccc2c1OC[C@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587911 1315727910 /nfs/dbraw/zinc/72/79/10/1315727910.db2.gz CEORYQAWWZEDFF-XJKSGUPXSA-N 1 0 326.352 2.794 20 5 EFBDRO COCc1cccc([C@H](CO)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588640 1315727934 /nfs/dbraw/zinc/72/79/34/1315727934.db2.gz GZEIEYUGEKISKN-MJGOQNOKSA-N 1 0 342.395 2.532 20 5 EFBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586946 1315728062 /nfs/dbraw/zinc/72/80/62/1315728062.db2.gz NFWRBIDQTLRGAO-ULQDDVLXSA-N 1 0 345.443 2.735 20 5 EFBDRO COc1cccc(C2(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254587286 1315728067 /nfs/dbraw/zinc/72/80/67/1315728067.db2.gz OPLRLDIRMLZFOX-OAHLLOKOSA-N 1 0 339.395 2.787 20 5 EFBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cc(F)cc(F)c1 ZINC001254589611 1315728401 /nfs/dbraw/zinc/72/84/01/1315728401.db2.gz PVCQTIOJBDRJTM-HNNXBMFYSA-N 1 0 332.306 2.813 20 5 EFBDRO COc1ccc2c(c1)c(C[NH3+])nn2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590860 1315728406 /nfs/dbraw/zinc/72/84/06/1315728406.db2.gz ZRCQXGJICBDBIL-CQSZACIVSA-N 1 0 338.367 2.752 20 5 EFBDRO Cc1ccc2c(n1)N(C)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598309 1315728836 /nfs/dbraw/zinc/72/88/36/1315728836.db2.gz WGCGHFNRNZDOIQ-SFHVURJKSA-N 1 0 338.411 2.717 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC(F)(F)CO3)CC1)C2 ZINC001254595396 1315729039 /nfs/dbraw/zinc/72/90/39/1315729039.db2.gz WQFMPPCSXNGIDM-HNNXBMFYSA-N 1 0 338.354 2.952 20 5 EFBDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596222 1315729201 /nfs/dbraw/zinc/72/92/01/1315729201.db2.gz MMYCTOUYEYHRSJ-GBESFXJTSA-N 1 0 346.427 2.722 20 5 EFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597435 1315729244 /nfs/dbraw/zinc/72/92/44/1315729244.db2.gz DQIYUOYMJZDVRB-BBRMVZONSA-N 1 0 332.400 2.726 20 5 EFBDRO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593683 1315729255 /nfs/dbraw/zinc/72/92/55/1315729255.db2.gz NUIYYZWTASXGKT-INIZCTEOSA-N 1 0 347.415 2.519 20 5 EFBDRO Cc1ccc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254602626 1315729664 /nfs/dbraw/zinc/72/96/64/1315729664.db2.gz HDNZQOPNEPGGMU-SFHVURJKSA-N 1 0 338.411 2.588 20 5 EFBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254601176 1315729767 /nfs/dbraw/zinc/72/97/67/1315729767.db2.gz VHODWHPVPCMOSK-RBUKOAKNSA-N 1 0 343.427 2.539 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3cnc(C4CC4)nc3C1)C2 ZINC001254605242 1315730266 /nfs/dbraw/zinc/73/02/66/1315730266.db2.gz AQFSRSUGRRIVJY-QGZVFWFLSA-N 1 0 336.395 2.788 20 5 EFBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605296 1315730327 /nfs/dbraw/zinc/73/03/27/1315730327.db2.gz BDEAFWZYXSWOQW-QZTJIDSGSA-N 1 0 339.395 2.919 20 5 EFBDRO Cc1noc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605516 1315730468 /nfs/dbraw/zinc/73/04/68/1315730468.db2.gz AXRVQLUEOAMEKE-MRXNPFEDSA-N 1 0 328.372 2.633 20 5 EFBDRO Cn1ccc(C2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605927 1315730573 /nfs/dbraw/zinc/73/05/73/1315730573.db2.gz CRTYBSHAPNIJQD-QGZVFWFLSA-N 1 0 326.400 2.675 20 5 EFBDRO C[N@H+](Cc1cccc2c1OCO2)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605220 1315730629 /nfs/dbraw/zinc/73/06/29/1315730629.db2.gz AHRCZWZUOLKKDF-INIZCTEOSA-N 1 0 326.352 2.923 20 5 EFBDRO C[N@H+](Cc1cccc2c1OCO2)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605221 1315730635 /nfs/dbraw/zinc/73/06/35/1315730635.db2.gz AHRCZWZUOLKKDF-MRXNPFEDSA-N 1 0 326.352 2.923 20 5 EFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3nc(C4CC4)ncc3C1)C2 ZINC001254609317 1315731149 /nfs/dbraw/zinc/73/11/49/1315731149.db2.gz VJGRBIYPWZCHNX-KRWDZBQOSA-N 1 0 336.395 2.788 20 5 EFBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254609948 1315731341 /nfs/dbraw/zinc/73/13/41/1315731341.db2.gz GINZWZJFIYQNNN-QWQRMKEZSA-N 1 0 346.427 2.973 20 5 EFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)o1 ZINC001254609578 1315731392 /nfs/dbraw/zinc/73/13/92/1315731392.db2.gz XPCKFKVAPJHKJG-CZUORRHYSA-N 1 0 328.372 2.633 20 5 EFBDRO O=C(NCC[NH+]1CC=CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001255104447 1315774688 /nfs/dbraw/zinc/77/46/88/1315774688.db2.gz ZKNPJMYMEUKLNX-UHFFFAOYSA-N 1 0 344.293 2.607 20 5 EFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001255580546 1315842697 /nfs/dbraw/zinc/84/26/97/1315842697.db2.gz IYRPXYUXMZAOFZ-HFQYIWAZSA-N 1 0 343.427 2.989 20 5 EFBDRO COc1cc(N2CCC([NH2+]C[C@@]3(C)CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001256092203 1315903637 /nfs/dbraw/zinc/90/36/37/1315903637.db2.gz HTNODHUXCZMODB-GOSISDBHSA-N 1 0 349.431 2.588 20 5 EFBDRO COc1cc(N2CCC(n3ccc([C@@H](C)[NH3+])n3)CC2)ccc1[N+](=O)[O-] ZINC001256088641 1315903717 /nfs/dbraw/zinc/90/37/17/1315903717.db2.gz XRUNDQAXEOIUJY-GFCCVEGCSA-N 1 0 345.403 2.661 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093089 1315903897 /nfs/dbraw/zinc/90/38/97/1315903897.db2.gz GGJIHIAXLVAXFE-VBNZEHGJSA-N 1 0 349.406 2.862 20 5 EFBDRO COc1cc(N2CCC([N@@H+]3CCC(=O)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094379 1315904124 /nfs/dbraw/zinc/90/41/24/1315904124.db2.gz YWQOQZNKDVPBIG-ZDUSSCGKSA-N 1 0 347.415 2.626 20 5 EFBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094940 1315904259 /nfs/dbraw/zinc/90/42/59/1315904259.db2.gz REUARFCFWBRLJK-HZPDHXFCSA-N 1 0 331.416 2.960 20 5 EFBDRO COC[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C1 ZINC001256094366 1315904276 /nfs/dbraw/zinc/90/42/76/1315904276.db2.gz YLFZGJQXOQLDTK-AWEZNQCLSA-N 1 0 349.431 2.541 20 5 EFBDRO Cc1cccc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c1[N+](=O)[O-] ZINC001258019417 1316112005 /nfs/dbraw/zinc/11/20/05/1316112005.db2.gz NPFWVPOSEAVSDM-CHWSQXEVSA-N 1 0 346.387 2.605 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC001261647978 1316422748 /nfs/dbraw/zinc/42/27/48/1316422748.db2.gz NREKGIISVQTPKX-SECBINFHSA-N 1 0 333.779 2.840 20 5 EFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001262276217 1316458152 /nfs/dbraw/zinc/45/81/52/1316458152.db2.gz YDTHTQVYLNGGOQ-GFCCVEGCSA-N 1 0 331.210 2.854 20 5 EFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001262276218 1316458173 /nfs/dbraw/zinc/45/81/73/1316458173.db2.gz YDTHTQVYLNGGOQ-LBPRGKRZSA-N 1 0 331.210 2.854 20 5 EFBDRO CN(C)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001262562625 1316472526 /nfs/dbraw/zinc/47/25/26/1316472526.db2.gz GXWOQDQTDQUIEF-MSOLQXFVSA-N 1 0 347.390 2.660 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001262652784 1316477589 /nfs/dbraw/zinc/47/75/89/1316477589.db2.gz PXYIIPIZVSLTOB-LLVKDONJSA-N 1 0 345.321 2.828 20 5 EFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001262653102 1316477685 /nfs/dbraw/zinc/47/76/85/1316477685.db2.gz ZQIMKSNOKOMUBR-NSHDSACASA-N 1 0 325.796 2.771 20 5 EFBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001263257201 1316524477 /nfs/dbraw/zinc/52/44/77/1316524477.db2.gz OKLFIAQKTKHMRP-LRDDRELGSA-N 1 0 337.807 2.521 20 5 EFBDRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001263626946 1316552302 /nfs/dbraw/zinc/55/23/02/1316552302.db2.gz QSSQGFULRWCEMC-OCCSQVGLSA-N 1 0 336.392 2.598 20 5 EFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001263629700 1316552638 /nfs/dbraw/zinc/55/26/38/1316552638.db2.gz LOCYYLRKYDRMOU-LBPRGKRZSA-N 1 0 336.392 2.551 20 5 EFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319099283 1328779195 /nfs/dbraw/zinc/77/91/95/1328779195.db2.gz QCLPZTWMZLRXER-MRXNPFEDSA-N 1 0 346.431 2.537 20 5 EFBDRO CSc1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001319371821 1328865588 /nfs/dbraw/zinc/86/55/88/1328865588.db2.gz ACTZDSUKSSYYRV-UHFFFAOYSA-N 1 0 337.445 2.873 20 5 EFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001319763189 1328980074 /nfs/dbraw/zinc/98/00/74/1328980074.db2.gz LSYDIGJIANJRHH-COXVUDFISA-N 1 0 348.447 2.774 20 5 EFBDRO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001320383540 1329120079 /nfs/dbraw/zinc/12/00/79/1329120079.db2.gz YAYJVNGVZHIDNR-XZJROXQQSA-N 1 0 337.395 2.826 20 5 EFBDRO CSc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001320454846 1329135316 /nfs/dbraw/zinc/13/53/16/1329135316.db2.gz QVMSKNZSZUUSOD-OLZOCXBDSA-N 1 0 337.445 2.919 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001320540276 1329157258 /nfs/dbraw/zinc/15/72/58/1329157258.db2.gz HOMCQZPDTIQNQN-OCCSQVGLSA-N 1 0 336.392 2.598 20 5 EFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001321695181 1329403796 /nfs/dbraw/zinc/40/37/96/1329403796.db2.gz SEHOQVRWOQNSCW-LLVKDONJSA-N 1 0 326.784 2.854 20 5 EFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321729805 1329405379 /nfs/dbraw/zinc/40/53/79/1329405379.db2.gz CPMTYKKBCYWLRL-ZBFHGGJFSA-N 1 0 334.420 2.609 20 5 EFBDRO CC(C)(C)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC001321830366 1329411401 /nfs/dbraw/zinc/41/14/01/1329411401.db2.gz VAPHSAFRHHDTOR-UHFFFAOYSA-N 1 0 345.403 2.561 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001322680329 1329478692 /nfs/dbraw/zinc/47/86/92/1329478692.db2.gz HQDOMILUGVDADL-ZBFHGGJFSA-N 1 0 346.431 2.772 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001323052859 1329508169 /nfs/dbraw/zinc/50/81/69/1329508169.db2.gz WKVKHMSCLMNPKV-IAGOWNOFSA-N 1 0 344.415 2.608 20 5 EFBDRO C[C@@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1cccc([N+](=O)[O-])c1 ZINC001323556102 1329551367 /nfs/dbraw/zinc/55/13/67/1329551367.db2.gz FYLCJWDOYKWQRP-IAQYHMDHSA-N 1 0 328.372 2.939 20 5 EFBDRO CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001323716275 1329564301 /nfs/dbraw/zinc/56/43/01/1329564301.db2.gz XGXWBAGWXWBDMH-HNNXBMFYSA-N 1 0 348.374 2.996 20 5 EFBDRO Cc1cc(CN2CCCN(c3cccc(C)c3[N+](=O)[O-])CC2)no1 ZINC001324191433 1329606784 /nfs/dbraw/zinc/60/67/84/1329606784.db2.gz MBPCUAGVPHYNSQ-UHFFFAOYSA-N 1 0 330.388 2.912 20 5 EFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324416072 1329625455 /nfs/dbraw/zinc/62/54/55/1329625455.db2.gz BUFIKISDDJOXAF-CYBMUJFWSA-N 1 0 342.399 2.826 20 5 EFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324762391 1329656805 /nfs/dbraw/zinc/65/68/05/1329656805.db2.gz BUOJPCSDTLIRJT-LBPRGKRZSA-N 1 0 338.795 2.950 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001325107721 1329670799 /nfs/dbraw/zinc/67/07/99/1329670799.db2.gz LCBZSTUKSUXXBR-UHFFFAOYSA-N 1 0 349.431 2.615 20 5 EFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325253112 1329676631 /nfs/dbraw/zinc/67/66/31/1329676631.db2.gz LRMAEHSIFMOZFF-DLBZAZTESA-N 1 0 348.447 2.652 20 5 EFBDRO C[C@@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001325314871 1329679421 /nfs/dbraw/zinc/67/94/21/1329679421.db2.gz ZBDGRZFLFKJOHH-CQSZACIVSA-N 1 0 346.431 2.831 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001325424332 1329686990 /nfs/dbraw/zinc/68/69/90/1329686990.db2.gz VQPIWZKJVJRCJO-HOCLYGCPSA-N 1 0 330.388 2.679 20 5 EFBDRO CN(Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001325714209 1329708221 /nfs/dbraw/zinc/70/82/21/1329708221.db2.gz SWDNISLKZZLYKZ-UHFFFAOYSA-N 1 0 333.775 2.979 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001326023856 1329730317 /nfs/dbraw/zinc/73/03/17/1329730317.db2.gz BMTHNFJFTRSLTR-HUUCEWRRSA-N 1 0 349.431 2.985 20 5 EFBDRO CC(C)Oc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001326023851 1329730390 /nfs/dbraw/zinc/73/03/90/1329730390.db2.gz BMTHNFJFTRSLTR-GJZGRUSLSA-N 1 0 349.431 2.985 20 5 EFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326029865 1329730683 /nfs/dbraw/zinc/73/06/83/1329730683.db2.gz CWDNIUDFEAPJMF-UHFFFAOYSA-N 1 0 337.807 2.854 20 5 EFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326088747 1329732748 /nfs/dbraw/zinc/73/27/48/1329732748.db2.gz PMAZITYYWOZEOJ-UHFFFAOYSA-N 1 0 338.367 2.788 20 5 EFBDRO CC[NH+](CC)C1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC001326344570 1329749017 /nfs/dbraw/zinc/74/90/17/1329749017.db2.gz VJLUZPXJBQRYTN-UHFFFAOYSA-N 1 0 337.395 2.989 20 5 EFBDRO CC[NH+](CC)C1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001326492992 1330303911 /nfs/dbraw/zinc/30/39/11/1330303911.db2.gz VOOHLVPAAPSISX-UHFFFAOYSA-N 1 0 349.431 2.621 20 5 EFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC001326845696 1330373255 /nfs/dbraw/zinc/37/32/55/1330373255.db2.gz WYVDMDXIXFZTRB-CJNGLKHVSA-N 1 0 331.416 2.820 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001327149951 1330430983 /nfs/dbraw/zinc/43/09/83/1330430983.db2.gz HSZKXRALBQDYRS-KSSFIOAISA-N 1 0 342.399 2.917 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327675043 1330507331 /nfs/dbraw/zinc/50/73/31/1330507331.db2.gz RAPWOAHBMJLWJL-ZANVPECISA-N 1 0 335.795 2.720 20 5 EFBDRO Cc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001327983773 1330538160 /nfs/dbraw/zinc/53/81/60/1330538160.db2.gz XLOVMSMYOYCBNJ-UHFFFAOYSA-N 1 0 333.436 2.786 20 5 EFBDRO CN(CC[NH+]1CCCC1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001327994582 1330539345 /nfs/dbraw/zinc/53/93/45/1330539345.db2.gz ZROHCDGIBSAXMO-UHFFFAOYSA-N 1 0 335.795 2.723 20 5 EFBDRO C[N@@H+]1CCC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328002602 1330540331 /nfs/dbraw/zinc/54/03/31/1330540331.db2.gz WRZDKCJGKDWFJE-SNVBAGLBSA-N 1 0 335.795 2.945 20 5 EFBDRO C[N@@H+]1CC[C@]2(CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)C1 ZINC001328026033 1330543381 /nfs/dbraw/zinc/54/33/81/1330543381.db2.gz HWUMAARARVSWPU-INIZCTEOSA-N 1 0 347.806 2.723 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328694702 1330617297 /nfs/dbraw/zinc/61/72/97/1330617297.db2.gz YOMWBRANLSANRC-UHFFFAOYSA-N 1 0 348.403 2.601 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001330013328 1330761531 /nfs/dbraw/zinc/76/15/31/1330761531.db2.gz SFKUMADYLOCEPV-AWEZNQCLSA-N 1 0 346.431 2.585 20 5 EFBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001330796443 1330766030 /nfs/dbraw/zinc/76/60/30/1330766030.db2.gz ZMPLPWKYSFFSEV-FOLVSLTJSA-N 1 0 347.415 2.858 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331384967 1330830914 /nfs/dbraw/zinc/83/09/14/1330830914.db2.gz QTCOATFBYSPNLF-VXGBXAGGSA-N 1 0 325.796 2.851 20 5 EFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001331587992 1330856649 /nfs/dbraw/zinc/85/66/49/1330856649.db2.gz LKQPFFOTYFYBMT-LLVKDONJSA-N 1 0 325.796 2.852 20 5 EFBDRO CC(C)[NH+]1CCC(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)CC1 ZINC001331798636 1330876214 /nfs/dbraw/zinc/87/62/14/1330876214.db2.gz FANPOOIHEIFTQH-UHFFFAOYSA-N 1 0 335.379 2.743 20 5 EFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001331909560 1330888808 /nfs/dbraw/zinc/88/88/08/1330888808.db2.gz HBSVWQPZCYYDIF-NWDGAFQWSA-N 1 0 343.786 2.990 20 5 EFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1[NH+](C)C ZINC001332251673 1330947755 /nfs/dbraw/zinc/94/77/55/1330947755.db2.gz RSSOALFQJJKVQG-GJZGRUSLSA-N 1 0 332.429 2.625 20 5 EFBDRO Cc1cc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC001333369560 1331127403 /nfs/dbraw/zinc/12/74/03/1331127403.db2.gz ALALATNCKRQJBA-UHFFFAOYSA-N 1 0 344.415 2.908 20 5 EFBDRO CCOc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC001333383867 1331130173 /nfs/dbraw/zinc/13/01/73/1331130173.db2.gz CZKUNNCPGXJDHS-UHFFFAOYSA-N 1 0 348.403 2.639 20 5 EFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501707 1331154921 /nfs/dbraw/zinc/15/49/21/1331154921.db2.gz DNQWRBZSRZPITB-RISCZKNCSA-N 1 0 336.367 2.824 20 5 EFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333501708 1331155247 /nfs/dbraw/zinc/15/52/47/1331155247.db2.gz DNQWRBZSRZPITB-SMDDNHRTSA-N 1 0 336.367 2.824 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1C ZINC001333643422 1331186068 /nfs/dbraw/zinc/18/60/68/1331186068.db2.gz QGQINWZCZPQBDB-MRXNPFEDSA-N 1 0 339.395 2.656 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC001333719091 1331200964 /nfs/dbraw/zinc/20/09/64/1331200964.db2.gz MERARDIMUCCEIG-UHFFFAOYSA-N 1 0 340.383 2.569 20 5 EFBDRO CC[N@H+](CCC1CCN(c2c([N+](=O)[O-])cnn2C)CC1)CC1CC1 ZINC001333738545 1331205344 /nfs/dbraw/zinc/20/53/44/1331205344.db2.gz DTSJIMKFJSHCMU-UHFFFAOYSA-N 1 0 335.452 2.667 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001334112760 1331250256 /nfs/dbraw/zinc/25/02/56/1331250256.db2.gz YSWSRXDTHDAAQN-CYBMUJFWSA-N 1 0 335.429 2.627 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001334185226 1331262988 /nfs/dbraw/zinc/26/29/88/1331262988.db2.gz AWMODTRXLLRPIL-BBRMVZONSA-N 1 0 338.404 2.850 20 5 EFBDRO O=C(CC[NH2+][C@H]1CCCN2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC001335397536 1331342640 /nfs/dbraw/zinc/34/26/40/1331342640.db2.gz OXZNFZABXFARJS-HOCLYGCPSA-N 1 0 346.431 2.530 20 5 EFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC001335442926 1331348118 /nfs/dbraw/zinc/34/81/18/1331348118.db2.gz BRQFKHUCXNGXMV-BRWVUGGUSA-N 1 0 342.395 2.555 20 5 EFBDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001335444091 1331348335 /nfs/dbraw/zinc/34/83/35/1331348335.db2.gz JKAWTRJJWIHHKN-LBPRGKRZSA-N 1 0 339.823 2.986 20 5 EFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001335686467 1331390811 /nfs/dbraw/zinc/39/08/11/1331390811.db2.gz CHRXZHXAJQDGSY-DZGCQCFKSA-N 1 0 334.420 2.796 20 5 EFBDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335811925 1331405268 /nfs/dbraw/zinc/40/52/68/1331405268.db2.gz UIEFURWJYFZIHG-KRWDZBQOSA-N 1 0 331.416 2.600 20 5 EFBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001335898584 1331414907 /nfs/dbraw/zinc/41/49/07/1331414907.db2.gz SOLJTRNLEAFPBC-GXTWGEPZSA-N 1 0 334.420 2.733 20 5 EFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2ccsc2)c1 ZINC001335953250 1331419968 /nfs/dbraw/zinc/41/99/68/1331419968.db2.gz BQUQDNPEKCMDSF-HNNXBMFYSA-N 1 0 336.413 2.618 20 5 EFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001336158991 1331441124 /nfs/dbraw/zinc/44/11/24/1331441124.db2.gz XDQMMQLVQJMRNM-OAHLLOKOSA-N 1 0 331.416 2.716 20 5 EFBDRO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001336460767 1331475708 /nfs/dbraw/zinc/47/57/08/1331475708.db2.gz AYVWPDSGYJPYSR-HZPDHXFCSA-N 1 0 347.415 2.739 20 5 EFBDRO Nc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001336469802 1331476534 /nfs/dbraw/zinc/47/65/34/1331476534.db2.gz AXHPRMXRMQTIFF-UHFFFAOYSA-N 1 0 341.415 2.691 20 5 EFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001336722649 1331496427 /nfs/dbraw/zinc/49/64/27/1331496427.db2.gz LGENTQZBGBTHTD-RDTXWAMCSA-N 1 0 345.399 2.716 20 5 EFBDRO C[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001336725207 1331496607 /nfs/dbraw/zinc/49/66/07/1331496607.db2.gz CSLKFABRYHJAKR-QMTHXVAHSA-N 1 0 346.353 2.660 20 5 EFBDRO CN(C(=O)CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336728288 1331497217 /nfs/dbraw/zinc/49/72/17/1331497217.db2.gz PECXDXSPZIXJDY-UHFFFAOYSA-N 1 0 342.399 2.649 20 5 EFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001336874776 1331511888 /nfs/dbraw/zinc/51/18/88/1331511888.db2.gz WLORZUAQXZPXHN-AWEZNQCLSA-N 1 0 348.447 2.861 20 5 EFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337008466 1331526526 /nfs/dbraw/zinc/52/65/26/1331526526.db2.gz WSHHUUJHTFXFOU-MJBXVCDLSA-N 1 0 337.807 2.755 20 5 EFBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001337441931 1331575148 /nfs/dbraw/zinc/57/51/48/1331575148.db2.gz AUOMSXVHFPCZDT-UHFFFAOYSA-N 1 0 333.779 2.541 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CCCCC3)c2)CC1 ZINC001337704244 1331593541 /nfs/dbraw/zinc/59/35/41/1331593541.db2.gz PXDKKRFPZVHLFH-UHFFFAOYSA-N 1 0 346.431 2.865 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337811330 1331601246 /nfs/dbraw/zinc/60/12/46/1331601246.db2.gz YXOJTMWYGFBNSZ-CABCVRRESA-N 1 0 346.387 2.590 20 5 EFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337811333 1331601414 /nfs/dbraw/zinc/60/14/14/1331601414.db2.gz YXOJTMWYGFBNSZ-LSDHHAIUSA-N 1 0 346.387 2.590 20 5 EFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001338825792 1331741986 /nfs/dbraw/zinc/74/19/86/1331741986.db2.gz WVMLOSQCASGQJA-JSGCOSHPSA-N 1 0 325.796 2.851 20 5 EFBDRO C[NH+]1CCN(C(C)(C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001338872908 1331750825 /nfs/dbraw/zinc/75/08/25/1331750825.db2.gz PNKZOMGYJGKVRY-UHFFFAOYSA-N 1 0 343.431 2.581 20 5 EFBDRO C[C@@H]1CC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC001339066824 1331781971 /nfs/dbraw/zinc/78/19/71/1331781971.db2.gz YVDWGPOCJICRJF-ZIAGYGMSSA-N 1 0 346.431 2.721 20 5 EFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001339439422 1331867389 /nfs/dbraw/zinc/86/73/89/1331867389.db2.gz TXGIBLKULCFRRJ-GJZGRUSLSA-N 1 0 345.355 2.681 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001339453660 1331870960 /nfs/dbraw/zinc/87/09/60/1331870960.db2.gz GQSSGUZXWGSAQB-UHFFFAOYSA-N 1 0 346.431 2.727 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001340280363 1332166565 /nfs/dbraw/zinc/16/65/65/1332166565.db2.gz GUEWCECLAOWXJJ-UHFFFAOYSA-N 1 0 349.456 2.923 20 5 EFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001341439602 1332259688 /nfs/dbraw/zinc/25/96/88/1332259688.db2.gz ZTGJHXJNLDEBRG-LBPRGKRZSA-N 1 0 337.445 2.969 20 5 EFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341659000 1332274361 /nfs/dbraw/zinc/27/43/61/1332274361.db2.gz LLIOKZWCTHUTOG-ROUUACIJSA-N 1 0 337.379 2.618 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001341785714 1332283806 /nfs/dbraw/zinc/28/38/06/1332283806.db2.gz CYJGNTHJJVAQBR-RYQLBKOJSA-N 1 0 343.427 2.546 20 5 EFBDRO Cc1c(C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001342000334 1332293555 /nfs/dbraw/zinc/29/35/55/1332293555.db2.gz UUYLCUSZKTYCBQ-GLRZTSSQSA-N 1 0 339.395 2.692 20 5 EFBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001342121248 1332307170 /nfs/dbraw/zinc/30/71/70/1332307170.db2.gz OAIVUNFOLXKEPI-UHFFFAOYSA-N 1 0 333.432 2.964 20 5 EFBDRO CCC[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001343186176 1332341332 /nfs/dbraw/zinc/34/13/32/1332341332.db2.gz BPGYLXAXOPAVEJ-JTQLQIEISA-N 1 0 335.795 2.770 20 5 EFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001343451159 1332347852 /nfs/dbraw/zinc/34/78/52/1332347852.db2.gz AKILQCMBYGQVEZ-KSZLIROESA-N 1 0 343.427 2.689 20 5 EFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001343505956 1332352003 /nfs/dbraw/zinc/35/20/03/1332352003.db2.gz PLCJGFLWUAVVLV-CABCVRRESA-N 1 0 349.406 2.515 20 5 EFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343534970 1332354568 /nfs/dbraw/zinc/35/45/68/1332354568.db2.gz YEZXVIYBBZGPNT-MXASKKJJSA-N 1 0 330.384 2.868 20 5 EFBDRO COc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001344485612 1332458118 /nfs/dbraw/zinc/45/81/18/1332458118.db2.gz RILDYDALZOGFCP-UHFFFAOYSA-N 1 0 336.392 2.553 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001346094317 1332598573 /nfs/dbraw/zinc/59/85/73/1332598573.db2.gz IFNULRMEDFLYJL-GDBMZVCRSA-N 1 0 326.400 2.653 20 5 EFBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001346094320 1332598668 /nfs/dbraw/zinc/59/86/68/1332598668.db2.gz IFNULRMEDFLYJL-ZBFHGGJFSA-N 1 0 326.400 2.653 20 5 EFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC001346110397 1332600084 /nfs/dbraw/zinc/60/00/84/1332600084.db2.gz QGJYCNKSYLKSQD-HNNXBMFYSA-N 1 0 341.367 2.606 20 5 EFBDRO C[C@@H](Cc1ccccn1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346204383 1332611507 /nfs/dbraw/zinc/61/15/07/1332611507.db2.gz SHMPFYWXOKIZCL-ZDUSSCGKSA-N 1 0 328.372 2.539 20 5 EFBDRO CCOC(=O)Cc1ccc(NC[C@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c1 ZINC001347181696 1332722448 /nfs/dbraw/zinc/72/24/48/1332722448.db2.gz KUZWCXAHGCYYEO-OAHLLOKOSA-N 1 0 349.431 2.844 20 5 EFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001347407271 1332742168 /nfs/dbraw/zinc/74/21/68/1332742168.db2.gz DLGPHHYNQFVFHA-CYBMUJFWSA-N 1 0 334.420 2.740 20 5 EFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001347856152 1332778606 /nfs/dbraw/zinc/77/86/06/1332778606.db2.gz BQGFPVQPTPQALI-CYBMUJFWSA-N 1 0 346.431 2.773 20 5 EFBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC001349323953 1332938188 /nfs/dbraw/zinc/93/81/88/1332938188.db2.gz AJWBKOYKWNBZBX-SSDOTTSWSA-N 1 0 341.165 2.730 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001349600809 1332974382 /nfs/dbraw/zinc/97/43/82/1332974382.db2.gz YXKCUQSVWBCHAE-UHFFFAOYSA-N 1 0 331.416 2.817 20 5 EFBDRO Cc1coc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001349896093 1333010748 /nfs/dbraw/zinc/01/07/48/1333010748.db2.gz LBNCMWJNSLQNBV-UHFFFAOYSA-N 1 0 344.371 2.500 20 5 EFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC001350465239 1333085899 /nfs/dbraw/zinc/08/58/99/1333085899.db2.gz IHFPQPWVGFQIGW-LLVKDONJSA-N 1 0 345.790 2.642 20 5 EFBDRO CC(C)OC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847076909 1333312229 /nfs/dbraw/zinc/31/22/29/1333312229.db2.gz POFLTSANUNOLHT-JKSUJKDBSA-N 1 0 338.404 2.584 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847253612 1333447859 /nfs/dbraw/zinc/44/78/59/1333447859.db2.gz JLBHWGGGLKMGAL-UONOGXRCSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1Cl ZINC000847253550 1333448009 /nfs/dbraw/zinc/44/80/09/1333448009.db2.gz HJCBEMUXSRDOSH-CABCVRRESA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000847253407 1333448445 /nfs/dbraw/zinc/44/84/45/1333448445.db2.gz DESIUWQQWXLIHP-ZFWWWQNUSA-N 1 0 337.807 2.995 20 5 EFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000847255363 1333450646 /nfs/dbraw/zinc/45/06/46/1333450646.db2.gz KOZFYRKVVKXGNC-KGLIPLIRSA-N 1 0 339.342 2.620 20 5 EFBDRO Cc1cc(N2CC[C@@]3(CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001354352317 1334246486 /nfs/dbraw/zinc/24/64/86/1334246486.db2.gz ANJJCEJZDVVILX-QGZVFWFLSA-N 1 0 327.340 2.595 20 5 EFBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001002507215 1334311126 /nfs/dbraw/zinc/31/11/26/1334311126.db2.gz CHNYCXJPQHXISJ-UHFFFAOYSA-N 1 0 329.400 2.642 20 5 EFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCOC1 ZINC001354604402 1334403990 /nfs/dbraw/zinc/40/39/90/1334403990.db2.gz RPGIOQXLBDMQEH-VHSXEESVSA-N 1 0 329.194 2.872 20 5 EFBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001002587191 1334442262 /nfs/dbraw/zinc/44/22/62/1334442262.db2.gz FLQHHROTOHRSTA-UHFFFAOYSA-N 1 0 329.400 2.786 20 5 EFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccsc3)c2)CC1 ZINC001355082897 1334695747 /nfs/dbraw/zinc/69/57/47/1334695747.db2.gz UXIDSIHGWNUVBP-UHFFFAOYSA-N 1 0 346.412 2.660 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000848474536 1334735158 /nfs/dbraw/zinc/73/51/58/1334735158.db2.gz FZNUSYRDCPRVNB-AWEZNQCLSA-N 1 0 342.399 2.917 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000848478862 1334737092 /nfs/dbraw/zinc/73/70/92/1334737092.db2.gz NJHLKODZIKXUQC-UHFFFAOYSA-N 1 0 341.415 2.586 20 5 EFBDRO CN(CCOCC1CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482382 1334738628 /nfs/dbraw/zinc/73/86/28/1334738628.db2.gz ODFSSEDCRUJNCL-UHFFFAOYSA-N 1 0 330.388 2.774 20 5 EFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000848482827 1334740181 /nfs/dbraw/zinc/74/01/81/1334740181.db2.gz VVWZUIMMZHPXNQ-QGZVFWFLSA-N 1 0 328.372 2.528 20 5 EFBDRO COCC1=CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848485293 1334741911 /nfs/dbraw/zinc/74/19/11/1334741911.db2.gz XQOOYMWPGMFWDB-UHFFFAOYSA-N 1 0 328.372 2.694 20 5 EFBDRO CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)CC1([NH+](C)C)CCC1 ZINC000848485426 1334741919 /nfs/dbraw/zinc/74/19/19/1334741919.db2.gz NDSGOMSNKQJOPY-UHFFFAOYSA-N 1 0 343.431 2.832 20 5 EFBDRO CCC(C)(C)[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000848495842 1334751962 /nfs/dbraw/zinc/75/19/62/1334751962.db2.gz QSLLNWCHVLYKLP-UHFFFAOYSA-N 1 0 331.420 2.708 20 5 EFBDRO Cc1cc(Cc2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000848623634 1334816521 /nfs/dbraw/zinc/81/65/21/1334816521.db2.gz KRCXZCSPCSEQSC-SUMWQHHRSA-N 1 0 328.372 2.734 20 5 EFBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC001356570774 1335054803 /nfs/dbraw/zinc/05/48/03/1335054803.db2.gz VIIQQHZCVUDOPX-OAHLLOKOSA-N 1 0 337.326 2.608 20 5 EFBDRO COc1ccccc1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849093003 1335074413 /nfs/dbraw/zinc/07/44/13/1335074413.db2.gz NVOHQBWOEYLWNA-UHFFFAOYSA-N 1 0 328.372 2.726 20 5 EFBDRO [NH3+]CCCSCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001357777473 1335332628 /nfs/dbraw/zinc/33/26/28/1335332628.db2.gz IKEHHXCHNWGEMJ-UHFFFAOYSA-N 1 0 337.445 2.558 20 5 EFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000400098752 1424343139 /nfs/dbraw/zinc/34/31/39/1424343139.db2.gz YQNCXZFJBMPCNE-ZANVPECISA-N 1 0 329.194 2.560 20 5 EFBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1CC(F)(F)C1 ZINC001753205223 1426326955 /nfs/dbraw/zinc/32/69/55/1426326955.db2.gz GTBHDYLXROALPL-UHFFFAOYSA-N 1 0 347.387 2.640 20 5 EFBDRO Cc1coc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001020489827 713071937 /nfs/dbraw/zinc/07/19/37/713071937.db2.gz FFHBRDWFBBJZQZ-HDJSIYSDSA-N 1 0 329.356 2.547 20 5 EFBDRO O=C(CC[NH+]1C[C@H]2[C@H](C1)[C@H]1CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000339570423 713086323 /nfs/dbraw/zinc/08/63/23/713086323.db2.gz TWNGCJFIWWIYKR-BYNSBNAKSA-N 1 0 329.400 2.901 20 5 EFBDRO Cc1ccoc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020561863 713191158 /nfs/dbraw/zinc/19/11/58/713191158.db2.gz MJTWOUBLAXMUNM-JOCQHMNTSA-N 1 0 349.412 2.537 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(C1CC1)C1CC1 ZINC001020900753 713435119 /nfs/dbraw/zinc/43/51/19/713435119.db2.gz KFMYCLVMAQVWDV-WKILWMFISA-N 1 0 343.427 2.768 20 5 EFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C(C1CC1)C1CC1 ZINC001020905345 713435728 /nfs/dbraw/zinc/43/57/28/713435728.db2.gz YUBRDXNXISMSEU-HDJSIYSDSA-N 1 0 349.456 2.829 20 5 EFBDRO CN(CCCCCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000234264222 714358541 /nfs/dbraw/zinc/35/85/41/714358541.db2.gz FIBICWGNJFHNPQ-UHFFFAOYSA-N 1 0 331.210 2.952 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ccc(F)cc1 ZINC001021777615 714463511 /nfs/dbraw/zinc/46/35/11/714463511.db2.gz QDNGJVGQARKJNA-OKILXGFUSA-N 1 0 349.387 2.846 20 5 EFBDRO O=C(CC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021789734 714478064 /nfs/dbraw/zinc/47/80/64/714478064.db2.gz QVELFOLSYSOABE-IYBDPMFKSA-N 1 0 331.416 2.912 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cccs1 ZINC001021791371 714479669 /nfs/dbraw/zinc/47/96/69/714479669.db2.gz HOUQGQMHNCHMOK-BETUJISGSA-N 1 0 331.397 2.707 20 5 EFBDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000892499960 717987887 /nfs/dbraw/zinc/98/78/87/717987887.db2.gz BMPACGGJGAPXCV-MRXNPFEDSA-N 1 0 341.839 2.695 20 5 EFBDRO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001021938603 714605851 /nfs/dbraw/zinc/60/58/51/714605851.db2.gz JHQNLTHVPWAWKN-GASCZTMLSA-N 1 0 343.383 2.855 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1sccc1F ZINC001022043018 714689593 /nfs/dbraw/zinc/68/95/93/714689593.db2.gz VRQQYDQWBAOJIY-TXEJJXNPSA-N 1 0 349.387 2.846 20 5 EFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000933424977 714775434 /nfs/dbraw/zinc/77/54/34/714775434.db2.gz VXOKMSCHBUERDN-GOSISDBHSA-N 1 0 330.384 2.687 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933769956 715043584 /nfs/dbraw/zinc/04/35/84/715043584.db2.gz HYVSBJJBDNLIQP-WBAXXEDZSA-N 1 0 345.443 2.889 20 5 EFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933780280 715047925 /nfs/dbraw/zinc/04/79/25/715047925.db2.gz WTSWSFKCCKGSOQ-QGTPRVQTSA-N 1 0 345.443 2.889 20 5 EFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000891893508 715096227 /nfs/dbraw/zinc/09/62/27/715096227.db2.gz WHSNKZIXUSHLMS-UHFFFAOYSA-N 1 0 334.376 2.958 20 5 EFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000176193225 715179809 /nfs/dbraw/zinc/17/98/09/715179809.db2.gz ZSRKDSPDLYHPFY-GASCZTMLSA-N 1 0 327.388 2.933 20 5 EFBDRO CCCN(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044658 715180446 /nfs/dbraw/zinc/18/04/46/715180446.db2.gz XJLUPVCJYOLHFO-UHFFFAOYSA-N 1 0 349.435 2.610 20 5 EFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C2CC2)CCC1 ZINC001022501142 715189225 /nfs/dbraw/zinc/18/92/25/715189225.db2.gz MZWJCMJGORLAFW-OKILXGFUSA-N 1 0 349.456 2.973 20 5 EFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c3OCC4)C2)nc1 ZINC000892078834 715244120 /nfs/dbraw/zinc/24/41/20/715244120.db2.gz TZKSXDQMTIRSFO-OAHLLOKOSA-N 1 0 340.383 2.611 20 5 EFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892103101 715254254 /nfs/dbraw/zinc/25/42/54/715254254.db2.gz HUICFAKIQLHODK-GXTWGEPZSA-N 1 0 337.420 2.614 20 5 EFBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934237076 715274173 /nfs/dbraw/zinc/27/41/73/715274173.db2.gz VBIIPUXODPRWGO-STQMWFEESA-N 1 0 328.372 2.538 20 5 EFBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934236165 715274429 /nfs/dbraw/zinc/27/44/29/715274429.db2.gz MFWBBHVMZVXBLM-OLZOCXBDSA-N 1 0 328.372 2.538 20 5 EFBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(C)C ZINC000022885133 715278344 /nfs/dbraw/zinc/27/83/44/715278344.db2.gz VXMACLMRJJYNER-UHFFFAOYSA-N 1 0 336.436 2.509 20 5 EFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438433 715475396 /nfs/dbraw/zinc/47/53/96/715475396.db2.gz PVOXOSRRVVOHIG-RDTXWAMCSA-N 1 0 330.359 2.769 20 5 EFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1OC ZINC000893403523 715486921 /nfs/dbraw/zinc/48/69/21/715486921.db2.gz SXVLXZXXJPTENA-BPLDGKMQSA-N 1 0 328.796 2.573 20 5 EFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235129995 715899673 /nfs/dbraw/zinc/89/96/73/715899673.db2.gz URZZTUYIDCCPPT-JTQLQIEISA-N 1 0 339.193 2.732 20 5 EFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000909598717 724436856 /nfs/dbraw/zinc/43/68/56/724436856.db2.gz DFJILINNVJYGPM-QGZVFWFLSA-N 1 0 343.383 2.637 20 5 EFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000161942116 716440032 /nfs/dbraw/zinc/44/00/32/716440032.db2.gz HHHOTWPOXLIFHG-MRXNPFEDSA-N 1 0 348.447 2.640 20 5 EFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424021154 716959811 /nfs/dbraw/zinc/95/98/11/716959811.db2.gz AOQBKUHNMVSEAH-CQSZACIVSA-N 1 0 343.305 2.582 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893603145 717214160 /nfs/dbraw/zinc/21/41/60/717214160.db2.gz SDADRVCSKKGQBJ-NSHDSACASA-N 1 0 340.811 2.532 20 5 EFBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000176983615 717337215 /nfs/dbraw/zinc/33/72/15/717337215.db2.gz IFLWUMGBKQYHFS-UHFFFAOYSA-N 1 0 335.379 2.647 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000892511407 718084602 /nfs/dbraw/zinc/08/46/02/718084602.db2.gz DJQCWIBCSJMJFO-UHFFFAOYSA-N 1 0 336.319 2.617 20 5 EFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H](CO)C2)c1Br ZINC000236506667 718266198 /nfs/dbraw/zinc/26/61/98/718266198.db2.gz SKYXDVADBARGAZ-JTQLQIEISA-N 1 0 329.194 2.562 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892576887 718301588 /nfs/dbraw/zinc/30/15/88/718301588.db2.gz KTARPVWWXRBNHV-OLZOCXBDSA-N 1 0 337.420 2.519 20 5 EFBDRO COc1c(O)ccc(CNC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892633773 718359783 /nfs/dbraw/zinc/35/97/83/718359783.db2.gz YGTOXJIDQFSKPJ-ZDUSSCGKSA-N 1 0 337.420 2.521 20 5 EFBDRO COc1cc(C[NH2+][C@H](C)COc2ccccc2)c([N+](=O)[O-])cc1O ZINC000892697045 718768638 /nfs/dbraw/zinc/76/86/38/718768638.db2.gz QXSIGBKDUMWOBO-GFCCVEGCSA-N 1 0 332.356 2.866 20 5 EFBDRO O=C(C1CCC1)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981572024 718818850 /nfs/dbraw/zinc/81/88/50/718818850.db2.gz NGSOWTZVOPRQAY-UHFFFAOYSA-N 1 0 343.427 2.819 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC000981765181 719013246 /nfs/dbraw/zinc/01/32/46/719013246.db2.gz SRJLYFZWADPBPL-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCCCCC1)C2 ZINC000981765160 719013623 /nfs/dbraw/zinc/01/36/23/719013623.db2.gz RUNZXNUROYJIAN-IAGOWNOFSA-N 1 0 349.475 2.546 20 5 EFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C2CC2)CC1 ZINC001029923623 724564580 /nfs/dbraw/zinc/56/45/80/724564580.db2.gz OLMPXGYFBOZHCB-UHFFFAOYSA-N 1 0 331.416 2.675 20 5 EFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCN(C(=O)C2CC2)CC1 ZINC001029923602 724564658 /nfs/dbraw/zinc/56/46/58/724564658.db2.gz NYAMARJQSUNBCT-UHFFFAOYSA-N 1 0 337.445 2.737 20 5 EFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001164638495 719256786 /nfs/dbraw/zinc/25/67/86/719256786.db2.gz ZZBJMTKPQZGBGA-VHSXEESVSA-N 1 0 335.795 2.720 20 5 EFBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1cccs1 ZINC001025658679 719289105 /nfs/dbraw/zinc/28/91/05/719289105.db2.gz OQBJSGXLDFKNPE-FOLVSLTJSA-N 1 0 343.408 2.517 20 5 EFBDRO O=C(CC1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025657779 719290714 /nfs/dbraw/zinc/29/07/14/719290714.db2.gz BKDLRLZBJTULDA-DZFIZOCASA-N 1 0 343.427 2.722 20 5 EFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164650939 719330299 /nfs/dbraw/zinc/33/02/99/719330299.db2.gz AUGUCFMGFRAIPN-UHFFFAOYSA-N 1 0 345.856 2.538 20 5 EFBDRO CC(C)C[NH+]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164657501 719336916 /nfs/dbraw/zinc/33/69/16/719336916.db2.gz OMFXGBAAIKQCDC-UHFFFAOYSA-N 1 0 341.415 2.830 20 5 EFBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164662603 719340082 /nfs/dbraw/zinc/34/00/82/719340082.db2.gz QEOBUSNBRFISRP-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892967753 719368281 /nfs/dbraw/zinc/36/82/81/719368281.db2.gz LQCWCUHEXAXAST-RISCZKNCSA-N 1 0 339.823 2.985 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)Oc2ccccc2)c1[N+](=O)[O-] ZINC000892977972 719380593 /nfs/dbraw/zinc/38/05/93/719380593.db2.gz ZPFYWORXKSHCFD-LBPRGKRZSA-N 1 0 332.356 2.866 20 5 EFBDRO COc1cc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])ccc1C ZINC000893038473 719508234 /nfs/dbraw/zinc/50/82/34/719508234.db2.gz XYKNGJFXMIXIQK-UHFFFAOYSA-N 1 0 346.383 2.958 20 5 EFBDRO CCOC(=O)c1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000893070102 719565288 /nfs/dbraw/zinc/56/52/88/719565288.db2.gz WNJZRWGUSBMCNL-UHFFFAOYSA-N 1 0 335.385 2.560 20 5 EFBDRO CC(C)[NH+]1CCN(c2cccc(Nc3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000893069961 719565313 /nfs/dbraw/zinc/56/53/13/719565313.db2.gz UXXBEDWYUGZQHZ-UHFFFAOYSA-N 1 0 344.419 2.602 20 5 EFBDRO CC[N@H+](CCC1CCN(c2c([N+](=O)[O-])cnn2C)CC1)CC(C)C ZINC000893097322 719634866 /nfs/dbraw/zinc/63/48/66/719634866.db2.gz KIPJGOCTOHWDBL-UHFFFAOYSA-N 1 0 337.468 2.913 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000893112817 719678615 /nfs/dbraw/zinc/67/86/15/719678615.db2.gz HVTPHANNHGSNCD-CYBMUJFWSA-N 1 0 336.388 2.890 20 5 EFBDRO C[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000893119196 719693191 /nfs/dbraw/zinc/69/31/91/719693191.db2.gz OMXPWTBMZQBLBO-LBPRGKRZSA-N 1 0 342.399 2.509 20 5 EFBDRO CC(C)C(=O)N1CCC(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029936970 724621002 /nfs/dbraw/zinc/62/10/02/724621002.db2.gz CGZYMIWZJRLZIN-UHFFFAOYSA-N 1 0 339.461 2.983 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000893802082 720088912 /nfs/dbraw/zinc/08/89/12/720088912.db2.gz RMZSIMWKOJDMIN-GFCCVEGCSA-N 1 0 337.445 2.919 20 5 EFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000893963770 720176644 /nfs/dbraw/zinc/17/66/44/720176644.db2.gz HLMKZMIYQUVDKH-KRWDZBQOSA-N 1 0 338.404 2.682 20 5 EFBDRO Cn1c2ccccc2c(NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000894074663 720268337 /nfs/dbraw/zinc/26/83/37/720268337.db2.gz VVACYLNECZIZQL-UHFFFAOYSA-N 1 0 346.431 2.979 20 5 EFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)n1 ZINC000894080202 720271874 /nfs/dbraw/zinc/27/18/74/720271874.db2.gz VKYIESYTGNBKMM-UHFFFAOYSA-N 1 0 330.392 2.550 20 5 EFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000893256279 720282281 /nfs/dbraw/zinc/28/22/81/720282281.db2.gz OWBHEBKKUFMRMP-JSGCOSHPSA-N 1 0 338.404 2.992 20 5 EFBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164725545 720333518 /nfs/dbraw/zinc/33/35/18/720333518.db2.gz NLVGVVHBHPNRRU-SJORKVTESA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164727287 720334592 /nfs/dbraw/zinc/33/45/92/720334592.db2.gz SQISWBFUSFNCMJ-JKSUJKDBSA-N 1 0 339.399 2.546 20 5 EFBDRO Cc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722181 720353515 /nfs/dbraw/zinc/35/35/15/720353515.db2.gz FHJGIQXULLMWOO-HZPDHXFCSA-N 1 0 339.399 2.546 20 5 EFBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000893320105 720603702 /nfs/dbraw/zinc/60/37/02/720603702.db2.gz LFRPPSDRCZFTLA-OAHLLOKOSA-N 1 0 345.399 2.702 20 5 EFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc([N+](=O)[O-])n1)[C@@H]2C ZINC001164863372 720936115 /nfs/dbraw/zinc/93/61/15/720936115.db2.gz ZOGSWPDZKKMQSJ-CYBMUJFWSA-N 1 0 344.419 2.608 20 5 EFBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854692 721141673 /nfs/dbraw/zinc/14/16/73/721141673.db2.gz JCSGOOACHMLMJM-UHFFFAOYSA-N 1 0 347.337 2.772 20 5 EFBDRO Cc1ccoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983176329 721877337 /nfs/dbraw/zinc/87/73/37/721877337.db2.gz UXBRWSJNIFOHHY-AULYBMBSSA-N 1 0 349.412 2.856 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001165034169 721888796 /nfs/dbraw/zinc/88/87/96/721888796.db2.gz BOBUJGFPLZIAIE-SNVBAGLBSA-N 1 0 335.795 2.722 20 5 EFBDRO Cc1ccc(-c2ccc(N3CCC[C@@H]([NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001165036650 721894031 /nfs/dbraw/zinc/89/40/31/721894031.db2.gz UTQLYZWKBAEOON-OAHLLOKOSA-N 1 0 341.415 2.891 20 5 EFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001165035917 721895503 /nfs/dbraw/zinc/89/55/03/721895503.db2.gz PUYSWMGQCXWZGN-OAHLLOKOSA-N 1 0 327.388 2.582 20 5 EFBDRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001165042197 721942682 /nfs/dbraw/zinc/94/26/82/721942682.db2.gz JEFCJGKIWLJFLR-UHFFFAOYSA-N 1 0 348.781 2.966 20 5 EFBDRO C[NH+](C)CC1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165042926 721944140 /nfs/dbraw/zinc/94/41/40/721944140.db2.gz ZGPHWPLZXAAOPV-UHFFFAOYSA-N 1 0 349.822 2.969 20 5 EFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC000983372933 722087400 /nfs/dbraw/zinc/08/74/00/722087400.db2.gz ZGSNTUHWCXDTJT-YEORSEQZSA-N 1 0 335.429 2.607 20 5 EFBDRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983436427 722624726 /nfs/dbraw/zinc/62/47/26/722624726.db2.gz GQTRVAQVRKIHHN-SHTZXODSSA-N 1 0 342.399 2.530 20 5 EFBDRO O=C(C=C1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000983459883 722648142 /nfs/dbraw/zinc/64/81/42/722648142.db2.gz QPLSPYWDZGHYEY-MQMHXKEQSA-N 1 0 335.429 2.751 20 5 EFBDRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983580023 722731779 /nfs/dbraw/zinc/73/17/79/722731779.db2.gz SOGAUCXNSRASGE-CTYIDZIISA-N 1 0 342.399 2.530 20 5 EFBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894428484 722734027 /nfs/dbraw/zinc/73/40/27/722734027.db2.gz WXVICZFHVOVOSQ-UHFFFAOYSA-N 1 0 341.795 2.816 20 5 EFBDRO CCN(CCC[NH+]1CCCC1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894470630 722748846 /nfs/dbraw/zinc/74/88/46/722748846.db2.gz CNTLYAFLYABVBZ-UHFFFAOYSA-N 1 0 337.420 2.617 20 5 EFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894606321 722790958 /nfs/dbraw/zinc/79/09/58/722790958.db2.gz VADKOBLWOUHGSS-NSHDSACASA-N 1 0 327.812 2.890 20 5 EFBDRO COc1c(O)ccc(C[NH2+]CCCc2ncccc2C)c1[N+](=O)[O-] ZINC000894714994 722824235 /nfs/dbraw/zinc/82/42/35/722824235.db2.gz NIXYWSRWFGVZBP-UHFFFAOYSA-N 1 0 331.372 2.735 20 5 EFBDRO COc1c(O)ccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894754622 722836897 /nfs/dbraw/zinc/83/68/97/722836897.db2.gz YVLXMCUIWBAGLJ-KBPBESRZSA-N 1 0 336.388 2.698 20 5 EFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000894865817 722916846 /nfs/dbraw/zinc/91/68/46/722916846.db2.gz NKDNVNWWPVZRGP-HIFRSBDPSA-N 1 0 329.404 2.508 20 5 EFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COCO2)ccc1Oc1ccc(F)cc1 ZINC000894869592 722925772 /nfs/dbraw/zinc/92/57/72/722925772.db2.gz CGSSHPUWLQZHME-OAHLLOKOSA-N 1 0 348.330 2.989 20 5 EFBDRO COc1c(O)ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000894901005 723018584 /nfs/dbraw/zinc/01/85/84/723018584.db2.gz PHPCLOOGTKEDSL-HUUCEWRRSA-N 1 0 344.367 2.617 20 5 EFBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000894967918 723038173 /nfs/dbraw/zinc/03/81/73/723038173.db2.gz QYPYQBCAJGIHBR-NSHDSACASA-N 1 0 325.796 2.596 20 5 EFBDRO COc1c(O)ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1[N+](=O)[O-] ZINC000895012002 723049696 /nfs/dbraw/zinc/04/96/96/723049696.db2.gz KDTHPUJVHFYYLE-SFHVURJKSA-N 1 0 346.383 2.649 20 5 EFBDRO C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000895064759 723152248 /nfs/dbraw/zinc/15/22/48/723152248.db2.gz BZZPMQDXCMDBEN-ZDUSSCGKSA-N 1 0 346.431 2.972 20 5 EFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000909438399 723209243 /nfs/dbraw/zinc/20/92/43/723209243.db2.gz KJMRQICEZYNMMG-NSHDSACASA-N 1 0 343.786 2.942 20 5 EFBDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896613374 723401338 /nfs/dbraw/zinc/40/13/38/723401338.db2.gz VDKCSXHKNJRGLJ-KGLIPLIRSA-N 1 0 334.420 2.687 20 5 EFBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000727170847 723847722 /nfs/dbraw/zinc/84/77/22/723847722.db2.gz ZZLNPEOSZZVOOU-CYBMUJFWSA-N 1 0 348.428 3.000 20 5 EFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000895192719 723860539 /nfs/dbraw/zinc/86/05/39/723860539.db2.gz LERCGPWJSCGZOI-CMPLNLGQSA-N 1 0 327.331 2.869 20 5 EFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000895225820 723893630 /nfs/dbraw/zinc/89/36/30/723893630.db2.gz ITHNDBVPQGIMFS-UHFFFAOYSA-N 1 0 331.376 2.722 20 5 EFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC000895271736 723963972 /nfs/dbraw/zinc/96/39/72/723963972.db2.gz RCGLXVLGJAAHJJ-CQSZACIVSA-N 1 0 340.383 2.649 20 5 EFBDRO C[C@@H](CCNCc1cc(Br)c([N+](=O)[O-])s1)[NH+](C)C ZINC000895292246 723993865 /nfs/dbraw/zinc/99/38/65/723993865.db2.gz OEFGVUIOAGRPER-QMMMGPOBSA-N 1 0 336.255 2.849 20 5 EFBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895316876 724023401 /nfs/dbraw/zinc/02/34/01/724023401.db2.gz RXQRELMIOCTHAU-HNNXBMFYSA-N 1 0 345.424 2.938 20 5 EFBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000895327500 724040328 /nfs/dbraw/zinc/04/03/28/724040328.db2.gz DEMWQGPYYHHKRX-YVEFUNNKSA-N 1 0 348.424 2.641 20 5 EFBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000895330431 724043068 /nfs/dbraw/zinc/04/30/68/724043068.db2.gz LVHZGMIHJSGBRC-YOEHRIQHSA-N 1 0 348.424 2.641 20 5 EFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985270712 724050242 /nfs/dbraw/zinc/05/02/42/724050242.db2.gz UBYXWORGVRRTEB-UHFFFAOYSA-N 1 0 349.412 2.986 20 5 EFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@@H]1C1CC1 ZINC000728560998 724095768 /nfs/dbraw/zinc/09/57/68/724095768.db2.gz XBKLLOIKHKOCAK-QGZVFWFLSA-N 1 0 340.383 2.650 20 5 EFBDRO CC[N@H+](CC(C)C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000728706589 724142175 /nfs/dbraw/zinc/14/21/75/724142175.db2.gz VXHWOWHFWVYLDZ-UHFFFAOYSA-N 1 0 332.404 2.791 20 5 EFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897262070 724145444 /nfs/dbraw/zinc/14/54/44/724145444.db2.gz UFJHYVCNUKXGJH-LLCTXKFZSA-N 1 0 332.400 2.614 20 5 EFBDRO C/C=C(/C)C(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985364424 724171763 /nfs/dbraw/zinc/17/17/63/724171763.db2.gz SIOMCAJISXQURH-CPSFFCFKSA-N 1 0 331.416 2.984 20 5 EFBDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000895706925 724266270 /nfs/dbraw/zinc/26/62/70/724266270.db2.gz AFCHPCJYCYLGOL-YBJDMEARSA-N 1 0 334.294 2.528 20 5 EFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895747439 724293398 /nfs/dbraw/zinc/29/33/98/724293398.db2.gz HYOCWMNJKCLWLM-NWDGAFQWSA-N 1 0 349.214 2.921 20 5 EFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895748322 724293550 /nfs/dbraw/zinc/29/35/50/724293550.db2.gz LQCRBDFDQLLIFQ-STQMWFEESA-N 1 0 348.321 2.633 20 5 EFBDRO O=C1N(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154780873 728908125 /nfs/dbraw/zinc/90/81/25/728908125.db2.gz SQFOFIZFMJRZMT-GASCZTMLSA-N 1 0 344.415 2.916 20 5 EFBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925229576 724955786 /nfs/dbraw/zinc/95/57/86/724955786.db2.gz VYPZVPKOHRYBSC-CQSZACIVSA-N 1 0 346.431 2.926 20 5 EFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000897422283 725515768 /nfs/dbraw/zinc/51/57/68/725515768.db2.gz GTJLUFZSMCZVCV-UHFFFAOYSA-N 1 0 327.406 2.803 20 5 EFBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285203 726226827 /nfs/dbraw/zinc/22/68/27/726226827.db2.gz ANMBUHGXDMSQDA-LBPRGKRZSA-N 1 0 348.447 2.726 20 5 EFBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1O ZINC000232784987 726297081 /nfs/dbraw/zinc/29/70/81/726297081.db2.gz FOXKPPURKWKHSZ-MNOVXSKESA-N 1 0 329.194 2.606 20 5 EFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897488060 726313076 /nfs/dbraw/zinc/31/30/76/726313076.db2.gz UZZMIAVGYGUQPN-AWEZNQCLSA-N 1 0 346.431 2.753 20 5 EFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000915355249 726958280 /nfs/dbraw/zinc/95/82/80/726958280.db2.gz NTVUEULFXVMFAG-OAHLLOKOSA-N 1 0 338.310 2.705 20 5 EFBDRO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000908125416 727097708 /nfs/dbraw/zinc/09/77/08/727097708.db2.gz QHBCPEWYMNMZLC-INIZCTEOSA-N 1 0 333.432 2.718 20 5 EFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)C1 ZINC000908362241 727169758 /nfs/dbraw/zinc/16/97/58/727169758.db2.gz IBMKGBSEOHORSK-OAHLLOKOSA-N 1 0 341.770 2.555 20 5 EFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908415729 727182057 /nfs/dbraw/zinc/18/20/57/727182057.db2.gz XAIPGORRNBEZMF-KWQFWETISA-N 1 0 329.759 2.552 20 5 EFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000732666899 727182452 /nfs/dbraw/zinc/18/24/52/727182452.db2.gz GNEDGGXJUDKVRG-UHFFFAOYSA-N 1 0 327.812 2.795 20 5 EFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000908572794 727218617 /nfs/dbraw/zinc/21/86/17/727218617.db2.gz BDQBMYCQKHFWGZ-UHFFFAOYSA-N 1 0 347.415 2.694 20 5 EFBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000908578156 727220727 /nfs/dbraw/zinc/22/07/27/727220727.db2.gz VFVRSJYPSSBKDQ-UHFFFAOYSA-N 1 0 335.379 2.824 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910266770 727425197 /nfs/dbraw/zinc/42/51/97/727425197.db2.gz OTIUSZQJYLIDAK-JTQLQIEISA-N 1 0 343.786 2.944 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)C1 ZINC000910269064 727425322 /nfs/dbraw/zinc/42/53/22/727425322.db2.gz DEQJVSYQDMHPFN-AWEZNQCLSA-N 1 0 349.431 2.938 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910281932 727427095 /nfs/dbraw/zinc/42/70/95/727427095.db2.gz NQAOLWFUHKDRDR-CQSZACIVSA-N 1 0 333.432 2.815 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000910284563 727427376 /nfs/dbraw/zinc/42/73/76/727427376.db2.gz QWHAIMNUAZEKJT-STQMWFEESA-N 1 0 337.395 2.780 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000910284560 727427382 /nfs/dbraw/zinc/42/73/82/727427382.db2.gz QWHAIMNUAZEKJT-CHWSQXEVSA-N 1 0 337.395 2.780 20 5 EFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910293804 727430928 /nfs/dbraw/zinc/43/09/28/727430928.db2.gz APYYNIBKPLXQPW-CYBMUJFWSA-N 1 0 346.431 2.725 20 5 EFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000911302838 727523866 /nfs/dbraw/zinc/52/38/66/727523866.db2.gz ZTHUOUMXTMTIHF-TVQRCGJNSA-N 1 0 341.770 2.554 20 5 EFBDRO [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911736796 727590414 /nfs/dbraw/zinc/59/04/14/727590414.db2.gz OKAGHSAHUXDRIL-QZTJIDSGSA-N 1 0 339.395 2.516 20 5 EFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840227 727606042 /nfs/dbraw/zinc/60/60/42/727606042.db2.gz ICZVSHCVAXYNCW-QZTJIDSGSA-N 1 0 343.427 2.689 20 5 EFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911871036 727609471 /nfs/dbraw/zinc/60/94/71/727609471.db2.gz QQSFKUPVKZAJTN-CYBMUJFWSA-N 1 0 325.434 2.762 20 5 EFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000911921527 727618754 /nfs/dbraw/zinc/61/87/54/727618754.db2.gz SAKKYWJTUVNKMI-UHFFFAOYSA-N 1 0 343.786 2.945 20 5 EFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000733169114 727709808 /nfs/dbraw/zinc/70/98/08/727709808.db2.gz ZSNFOGRUEWHGDB-OAHLLOKOSA-N 1 0 348.447 2.511 20 5 EFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603413 727729270 /nfs/dbraw/zinc/72/92/70/727729270.db2.gz ZOHCINHQXPRQJH-CHWSQXEVSA-N 1 0 337.807 2.851 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912806182 727744710 /nfs/dbraw/zinc/74/47/10/727744710.db2.gz FDQLOXPRDQQZCS-CJNGLKHVSA-N 1 0 349.431 2.796 20 5 EFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912806183 727744757 /nfs/dbraw/zinc/74/47/57/727744757.db2.gz FDQLOXPRDQQZCS-CZUORRHYSA-N 1 0 349.431 2.796 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000912813612 727748403 /nfs/dbraw/zinc/74/84/03/727748403.db2.gz LWLCXIJNPCXNQE-AAEUAGOBSA-N 1 0 325.434 2.849 20 5 EFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000912815391 727748878 /nfs/dbraw/zinc/74/88/78/727748878.db2.gz LARMTLBEDSJANC-WMLDXEAASA-N 1 0 333.432 2.716 20 5 EFBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)[NH+](C)C ZINC000917039518 727756068 /nfs/dbraw/zinc/75/60/68/727756068.db2.gz HRBBEIKLVSXDQX-HNNXBMFYSA-N 1 0 348.447 2.875 20 5 EFBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000912912777 727757970 /nfs/dbraw/zinc/75/79/70/727757970.db2.gz GGSCWVXCHYGSQZ-FLIBITNWSA-N 1 0 331.416 2.989 20 5 EFBDRO CC(C)CNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000917093275 727768010 /nfs/dbraw/zinc/76/80/10/727768010.db2.gz DOQUFSYTNUTEJQ-UHFFFAOYSA-N 1 0 333.432 2.622 20 5 EFBDRO Cc1cc(F)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000164254777 727922688 /nfs/dbraw/zinc/92/26/88/727922688.db2.gz IYGGVTNOJJMNEA-SWLSCSKDSA-N 1 0 335.379 2.599 20 5 EFBDRO Cc1cc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000991681073 728261639 /nfs/dbraw/zinc/26/16/39/728261639.db2.gz ZZTHLNJIXOCFOE-UHFFFAOYSA-N 1 0 343.383 2.891 20 5 EFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000070671036 728323823 /nfs/dbraw/zinc/32/38/23/728323823.db2.gz CTCUOMLHTABZKI-UHFFFAOYSA-N 1 0 348.447 2.513 20 5 EFBDRO Cc1cc[nH]c1C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000991925034 728604053 /nfs/dbraw/zinc/60/40/53/728604053.db2.gz CPCDPWPRCQBDHM-UHFFFAOYSA-N 1 0 348.428 2.687 20 5 EFBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173432352 728626267 /nfs/dbraw/zinc/62/62/67/728626267.db2.gz XAFXXJZXZNQFIC-AWEZNQCLSA-N 1 0 331.420 2.566 20 5 EFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000919492722 729038075 /nfs/dbraw/zinc/03/80/75/729038075.db2.gz IKKGKHXZTHACGT-CQSZACIVSA-N 1 0 336.388 2.781 20 5 EFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000919965127 729119157 /nfs/dbraw/zinc/11/91/57/729119157.db2.gz PEBOWOKPIJTKDT-IJLUTSLNSA-N 1 0 333.392 2.909 20 5 EFBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000920741608 729221837 /nfs/dbraw/zinc/22/18/37/729221837.db2.gz ZPAXZCANBYUAQP-YYRKOSNBSA-N 1 0 331.416 2.846 20 5 EFBDRO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000920741353 729222062 /nfs/dbraw/zinc/22/20/62/729222062.db2.gz LDLMJMNOPZNSLA-HNNXBMFYSA-N 1 0 348.447 2.778 20 5 EFBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000920741606 729222084 /nfs/dbraw/zinc/22/20/84/729222084.db2.gz ZPAXZCANBYUAQP-XMELGKRDSA-N 1 0 331.416 2.846 20 5 EFBDRO